USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 839 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 65 LYS NZ :NH3+ 158:sc= 0.35 (180deg=0) USER MOD Set 1.2: A 97 HIS :FLIP no HD1:sc= 0.247 F(o=-0.21,f=0.6) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -175:sc= -1.04 (180deg=-0.195) USER MOD Set 2.2: A 101 TYR OH : rot 180:sc= -0.88 USER MOD Single : A 15 LYS NZ :NH3+ 135:sc= -0.0679 (180deg=-0.585) USER MOD Single : A 23 SER OG : rot 75:sc= 0.392 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -129:sc= 0.0353 (180deg=-1.22) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.26 F(o=-3.9!,f=-1.3) USER MOD Single : A 48 GLN :FLIP amide:sc= -1.55 F(o=-4.3!,f=-1.5) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 144:sc= 0.61 (180deg=0.122) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.0334 (180deg=-0.369) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.367 K(o=-0.37,f=-1.5) USER MOD Single : A 75 ASN : amide:sc= -4.15! C(o=-4.2!,f=-9.6!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -5.73! C(o=-5.7!,f=-10!) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 0.0134 (180deg=-0.0333) USER MOD Single : A 99 MET CE :methyl -125:sc= -0.0684 (180deg=-0.485) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 -18.817 -18.196 3.824 1.00 0.00 N ATOM 2 CA LYS A 15 -17.789 -18.147 2.744 1.00 0.00 C ATOM 3 C LYS A 15 -18.488 -18.056 1.394 1.00 0.00 C ATOM 4 O LYS A 15 -18.371 -17.051 0.696 1.00 0.00 O ATOM 5 CB LYS A 15 -16.933 -19.416 2.819 1.00 0.00 C ATOM 6 CG LYS A 15 -15.829 -19.356 1.759 1.00 0.00 C ATOM 7 CD LYS A 15 -14.946 -20.604 1.861 1.00 0.00 C ATOM 8 CE LYS A 15 -13.849 -20.547 0.794 1.00 0.00 C ATOM 9 NZ LYS A 15 -12.974 -19.363 1.068 1.00 0.00 N ATOM 0 HA LYS A 15 -17.147 -17.275 2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.493 -19.511 3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.556 -20.296 2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.270 -19.291 0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.225 -18.459 1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.499 -20.665 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.550 -21.501 1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.260 -21.464 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.291 -20.468 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.976 -19.641 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.187 -18.608 0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.151 -19.017 2.033 1.00 0.00 H new ATOM 23 N GLU A 16 -19.265 -19.090 1.085 1.00 0.00 N ATOM 24 CA GLU A 16 -20.057 -19.098 -0.139 1.00 0.00 C ATOM 25 C GLU A 16 -21.121 -18.007 -0.062 1.00 0.00 C ATOM 26 O GLU A 16 -21.295 -17.237 -1.010 1.00 0.00 O ATOM 27 CB GLU A 16 -20.711 -20.473 -0.339 1.00 0.00 C ATOM 28 CG GLU A 16 -21.471 -20.531 -1.673 1.00 0.00 C ATOM 29 CD GLU A 16 -22.091 -21.911 -1.917 1.00 0.00 C ATOM 30 OE1 GLU A 16 -22.143 -22.717 -0.999 1.00 0.00 O ATOM 31 OE2 GLU A 16 -22.555 -22.128 -3.025 1.00 0.00 O ATOM 0 H GLU A 16 -19.362 -19.926 1.660 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.406 -18.902 -0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.947 -21.250 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.396 -20.677 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -22.256 -19.774 -1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.791 -20.289 -2.489 1.00 0.00 H new ATOM 38 N ARG A 17 -21.678 -17.818 1.135 1.00 0.00 N ATOM 39 CA ARG A 17 -22.740 -16.829 1.328 1.00 0.00 C ATOM 40 C ARG A 17 -22.226 -15.417 1.052 1.00 0.00 C ATOM 41 O ARG A 17 -22.743 -14.760 0.146 1.00 0.00 O ATOM 42 CB ARG A 17 -23.201 -16.865 2.791 1.00 0.00 C ATOM 43 CG ARG A 17 -23.992 -18.145 3.069 1.00 0.00 C ATOM 44 CD ARG A 17 -24.343 -18.183 4.558 1.00 0.00 C ATOM 45 NE ARG A 17 -25.246 -17.079 4.882 1.00 0.00 N ATOM 46 CZ ARG A 17 -25.610 -16.808 6.134 1.00 0.00 C ATOM 47 NH1 ARG A 17 -25.010 -17.359 7.156 1.00 0.00 N ATOM 48 NH2 ARG A 17 -26.392 -15.789 6.350 1.00 0.00 N ATOM 0 H ARG A 17 -21.415 -18.330 1.977 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.553 -17.070 0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -22.336 -16.813 3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.820 -15.994 3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.899 -18.169 2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -23.404 -19.021 2.796 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -24.813 -19.134 4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -23.435 -18.110 5.157 1.00 0.00 H new ATOM 0 HE ARG A 17 -25.608 -16.499 4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -24.243 -18.014 7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -25.309 -17.134 8.105 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -26.713 -15.218 5.568 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -26.684 -15.563 7.301 1.00 0.00 H new ATOM 62 N ILE A 18 -21.026 -15.130 1.534 1.00 0.00 N ATOM 63 CA ILE A 18 -20.408 -13.830 1.315 1.00 0.00 C ATOM 64 C ILE A 18 -20.154 -13.629 -0.176 1.00 0.00 C ATOM 65 O ILE A 18 -20.325 -12.532 -0.708 1.00 0.00 O ATOM 66 CB ILE A 18 -19.093 -13.769 2.095 1.00 0.00 C ATOM 67 CG1 ILE A 18 -19.357 -13.801 3.604 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.307 -12.512 1.718 1.00 0.00 C ATOM 69 CD1 ILE A 18 -20.181 -12.584 4.029 1.00 0.00 C ATOM 0 H ILE A 18 -20.460 -15.780 2.080 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.069 -13.037 1.664 1.00 0.00 H new ATOM 0 HB ILE A 18 -18.498 -14.644 1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -19.887 -14.716 3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -18.411 -13.814 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -17.374 -12.483 2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.086 -12.528 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -18.900 -11.628 1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -20.359 -12.623 5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -19.636 -11.672 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -21.135 -12.589 3.502 1.00 0.00 H new ATOM 81 N ASP A 19 -19.642 -14.681 -0.816 1.00 0.00 N ATOM 82 CA ASP A 19 -19.210 -14.626 -2.211 1.00 0.00 C ATOM 83 C ASP A 19 -20.401 -14.349 -3.123 1.00 0.00 C ATOM 84 O ASP A 19 -20.295 -13.604 -4.095 1.00 0.00 O ATOM 85 CB ASP A 19 -18.538 -15.950 -2.602 1.00 0.00 C ATOM 86 CG ASP A 19 -17.057 -15.980 -2.227 1.00 0.00 C ATOM 87 OD1 ASP A 19 -16.533 -14.966 -1.786 1.00 0.00 O ATOM 88 OD2 ASP A 19 -16.463 -17.033 -2.353 1.00 0.00 O ATOM 0 H ASP A 19 -19.516 -15.595 -0.381 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.490 -13.816 -2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -19.052 -16.775 -2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.642 -16.105 -3.676 1.00 0.00 H new ATOM 93 N ILE A 20 -21.547 -14.960 -2.806 1.00 0.00 N ATOM 94 CA ILE A 20 -22.778 -14.687 -3.549 1.00 0.00 C ATOM 95 C ILE A 20 -23.229 -13.235 -3.377 1.00 0.00 C ATOM 96 O ILE A 20 -23.372 -12.496 -4.361 1.00 0.00 O ATOM 97 CB ILE A 20 -23.900 -15.597 -3.025 1.00 0.00 C ATOM 98 CG1 ILE A 20 -23.605 -17.054 -3.387 1.00 0.00 C ATOM 99 CG2 ILE A 20 -25.238 -15.189 -3.659 1.00 0.00 C ATOM 100 CD1 ILE A 20 -24.563 -17.981 -2.635 1.00 0.00 C ATOM 0 H ILE A 20 -21.647 -15.638 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 20 -22.576 -14.874 -4.604 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.957 -15.494 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -23.713 -17.200 -4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -22.574 -17.299 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -26.031 -15.837 -3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -25.463 -14.154 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -25.172 -15.286 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -24.348 -19.017 -2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -24.434 -17.844 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -25.591 -17.743 -2.910 1.00 0.00 H new ATOM 112 N LEU A 21 -23.178 -12.759 -2.134 1.00 0.00 N ATOM 113 CA LEU A 21 -23.484 -11.363 -1.830 1.00 0.00 C ATOM 114 C LEU A 21 -22.481 -10.425 -2.501 1.00 0.00 C ATOM 115 O LEU A 21 -22.829 -9.307 -2.860 1.00 0.00 O ATOM 116 CB LEU A 21 -23.553 -11.134 -0.319 1.00 0.00 C ATOM 117 CG LEU A 21 -24.938 -11.523 0.221 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.193 -13.030 0.115 1.00 0.00 C ATOM 119 CD2 LEU A 21 -25.047 -11.116 1.691 1.00 0.00 C ATOM 0 H LEU A 21 -22.927 -13.321 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.468 -11.133 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -22.783 -11.723 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -23.349 -10.087 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 21 -25.681 -11.003 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -26.183 -13.260 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -25.137 -13.336 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -24.440 -13.568 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -26.030 -11.392 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -24.276 -11.627 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -24.913 -10.038 1.781 1.00 0.00 H new ATOM 131 N PHE A 22 -21.212 -10.822 -2.467 1.00 0.00 N ATOM 132 CA PHE A 22 -20.137 -10.008 -3.021 1.00 0.00 C ATOM 133 C PHE A 22 -20.378 -9.769 -4.508 1.00 0.00 C ATOM 134 O PHE A 22 -20.190 -8.658 -5.010 1.00 0.00 O ATOM 135 CB PHE A 22 -18.797 -10.727 -2.818 1.00 0.00 C ATOM 136 CG PHE A 22 -17.654 -9.913 -3.388 1.00 0.00 C ATOM 137 CD1 PHE A 22 -17.152 -8.807 -2.690 1.00 0.00 C ATOM 138 CD2 PHE A 22 -17.133 -10.239 -4.649 1.00 0.00 C ATOM 139 CE1 PHE A 22 -16.059 -8.098 -3.203 1.00 0.00 C ATOM 140 CE2 PHE A 22 -16.080 -9.492 -5.184 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.550 -8.413 -4.469 1.00 0.00 C ATOM 0 H PHE A 22 -20.904 -11.705 -2.060 1.00 0.00 H new ATOM 0 HA PHE A 22 -20.113 -9.046 -2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.630 -10.900 -1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.828 -11.704 -3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.607 -8.502 -1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.546 -11.067 -5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.608 -7.307 -2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.675 -9.748 -6.152 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.750 -7.824 -4.892 1.00 0.00 H new ATOM 151 N SER A 23 -20.719 -10.840 -5.222 1.00 0.00 N ATOM 152 CA SER A 23 -21.022 -10.726 -6.642 1.00 0.00 C ATOM 153 C SER A 23 -22.216 -9.812 -6.888 1.00 0.00 C ATOM 154 O SER A 23 -22.200 -8.993 -7.808 1.00 0.00 O ATOM 155 CB SER A 23 -21.313 -12.117 -7.207 1.00 0.00 C ATOM 156 OG SER A 23 -20.165 -12.937 -7.040 1.00 0.00 O ATOM 0 H SER A 23 -20.791 -11.785 -4.844 1.00 0.00 H new ATOM 0 HA SER A 23 -20.158 -10.289 -7.143 1.00 0.00 H new ATOM 0 HB2 SER A 23 -22.168 -12.559 -6.696 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.574 -12.047 -8.263 1.00 0.00 H new ATOM 0 HG SER A 23 -20.090 -13.207 -6.101 1.00 0.00 H new ATOM 162 N LEU A 24 -23.254 -9.973 -6.072 1.00 0.00 N ATOM 163 CA LEU A 24 -24.452 -9.146 -6.199 1.00 0.00 C ATOM 164 C LEU A 24 -24.135 -7.681 -5.929 1.00 0.00 C ATOM 165 O LEU A 24 -24.445 -6.814 -6.746 1.00 0.00 O ATOM 166 CB LEU A 24 -25.540 -9.606 -5.229 1.00 0.00 C ATOM 167 CG LEU A 24 -26.088 -10.968 -5.667 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.997 -11.523 -4.571 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.905 -10.803 -6.953 1.00 0.00 C ATOM 0 H LEU A 24 -23.291 -10.663 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 24 -24.812 -9.254 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -25.134 -9.675 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -26.346 -8.873 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.257 -11.651 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -27.389 -12.492 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -26.427 -11.639 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.825 -10.834 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -27.294 -11.773 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -27.735 -10.120 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -26.268 -10.399 -7.740 1.00 0.00 H new ATOM 181 N ALA A 25 -23.325 -7.460 -4.898 1.00 0.00 N ATOM 182 CA ALA A 25 -22.950 -6.106 -4.510 1.00 0.00 C ATOM 183 C ALA A 25 -22.140 -5.445 -5.618 1.00 0.00 C ATOM 184 O ALA A 25 -22.166 -4.229 -5.755 1.00 0.00 O ATOM 185 CB ALA A 25 -22.124 -6.143 -3.221 1.00 0.00 C ATOM 0 H ALA A 25 -22.919 -8.196 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.858 -5.527 -4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.847 -5.128 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.714 -6.595 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -21.222 -6.733 -3.384 1.00 0.00 H new ATOM 191 N GLU A 26 -21.266 -6.226 -6.247 1.00 0.00 N ATOM 192 CA GLU A 26 -20.357 -5.672 -7.245 1.00 0.00 C ATOM 193 C GLU A 26 -21.094 -5.204 -8.504 1.00 0.00 C ATOM 194 O GLU A 26 -20.606 -4.301 -9.177 1.00 0.00 O ATOM 195 CB GLU A 26 -19.283 -6.709 -7.586 1.00 0.00 C ATOM 196 CG GLU A 26 -18.260 -6.115 -8.564 1.00 0.00 C ATOM 197 CD GLU A 26 -17.133 -7.095 -8.886 1.00 0.00 C ATOM 198 OE1 GLU A 26 -17.157 -8.210 -8.386 1.00 0.00 O ATOM 199 OE2 GLU A 26 -16.160 -6.642 -9.466 1.00 0.00 O ATOM 0 H GLU A 26 -21.168 -7.229 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.883 -4.787 -6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.780 -7.034 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.747 -7.592 -8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.765 -5.829 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.837 -5.205 -8.137 1.00 0.00 H new ATOM 206 N ARG A 27 -22.063 -5.988 -8.982 1.00 0.00 N ATOM 207 CA ARG A 27 -22.832 -5.592 -10.163 1.00 0.00 C ATOM 208 C ARG A 27 -23.696 -4.353 -9.926 1.00 0.00 C ATOM 209 O ARG A 27 -23.763 -3.456 -10.770 1.00 0.00 O ATOM 210 CB ARG A 27 -23.721 -6.746 -10.643 1.00 0.00 C ATOM 211 CG ARG A 27 -24.447 -6.325 -11.926 1.00 0.00 C ATOM 212 CD ARG A 27 -25.358 -7.450 -12.421 1.00 0.00 C ATOM 213 NE ARG A 27 -25.932 -7.075 -13.709 1.00 0.00 N ATOM 214 CZ ARG A 27 -27.067 -6.393 -13.796 1.00 0.00 C ATOM 215 NH1 ARG A 27 -27.610 -5.848 -12.745 1.00 0.00 N ATOM 216 NH2 ARG A 27 -27.636 -6.252 -14.958 1.00 0.00 N ATOM 0 H ARG A 27 -22.330 -6.885 -8.578 1.00 0.00 H new ATOM 0 HA ARG A 27 -22.100 -5.341 -10.930 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -23.116 -7.634 -10.828 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -24.445 -7.008 -9.871 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -25.037 -5.427 -11.739 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.719 -6.073 -12.697 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.791 -8.376 -12.518 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -26.151 -7.636 -11.697 1.00 0.00 H new ATOM 0 HE ARG A 27 -25.448 -7.344 -14.565 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -27.162 -5.941 -11.833 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -28.483 -5.328 -12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -27.209 -6.663 -15.788 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -28.509 -5.730 -15.039 1.00 0.00 H new ATOM 230 N VAL A 28 -24.364 -4.320 -8.778 1.00 0.00 N ATOM 231 CA VAL A 28 -25.212 -3.186 -8.421 1.00 0.00 C ATOM 232 C VAL A 28 -24.345 -1.942 -8.245 1.00 0.00 C ATOM 233 O VAL A 28 -24.823 -0.813 -8.346 1.00 0.00 O ATOM 234 CB VAL A 28 -26.041 -3.512 -7.173 1.00 0.00 C ATOM 235 CG1 VAL A 28 -25.112 -3.733 -5.981 1.00 0.00 C ATOM 236 CG2 VAL A 28 -27.022 -2.380 -6.851 1.00 0.00 C ATOM 0 H VAL A 28 -24.336 -5.063 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.923 -2.982 -9.222 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.613 -4.419 -7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.705 -3.964 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -24.438 -4.563 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -24.529 -2.830 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.596 -2.638 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -26.468 -1.459 -6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.700 -2.236 -7.692 1.00 0.00 H new ATOM 246 N PHE A 29 -23.134 -2.175 -7.750 1.00 0.00 N ATOM 247 CA PHE A 29 -22.281 -1.101 -7.262 1.00 0.00 C ATOM 248 C PHE A 29 -22.076 -0.010 -8.318 1.00 0.00 C ATOM 249 O PHE A 29 -22.417 1.146 -8.070 1.00 0.00 O ATOM 250 CB PHE A 29 -20.948 -1.714 -6.816 1.00 0.00 C ATOM 251 CG PHE A 29 -19.949 -0.627 -6.519 1.00 0.00 C ATOM 252 CD1 PHE A 29 -20.172 0.167 -5.396 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.670 -0.703 -7.080 1.00 0.00 C ATOM 254 CE1 PHE A 29 -19.108 0.851 -4.823 1.00 0.00 C ATOM 255 CE2 PHE A 29 -17.668 0.159 -6.637 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.883 0.926 -5.491 1.00 0.00 C ATOM 0 H PHE A 29 -22.721 -3.105 -7.677 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.762 -0.610 -6.416 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -21.101 -2.329 -5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.562 -2.370 -7.596 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -21.163 0.250 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.460 -1.427 -7.853 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -19.227 1.325 -3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.735 0.233 -7.175 1.00 0.00 H new ATOM 0 HZ PHE A 29 -17.104 1.576 -5.121 1.00 0.00 H new ATOM 266 N PRO A 30 -21.522 -0.328 -9.502 1.00 0.00 N ATOM 267 CA PRO A 30 -21.432 0.666 -10.613 1.00 0.00 C ATOM 268 C PRO A 30 -22.794 1.151 -11.094 1.00 0.00 C ATOM 269 O PRO A 30 -22.909 2.254 -11.627 1.00 0.00 O ATOM 270 CB PRO A 30 -20.722 -0.103 -11.733 1.00 0.00 C ATOM 271 CG PRO A 30 -20.999 -1.543 -11.461 1.00 0.00 C ATOM 272 CD PRO A 30 -21.106 -1.671 -9.940 1.00 0.00 C ATOM 0 HA PRO A 30 -20.911 1.568 -10.292 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -21.099 0.192 -12.712 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.651 0.099 -11.730 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.922 -1.861 -11.945 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -20.201 -2.174 -11.851 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.835 -2.429 -9.653 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -20.154 -1.960 -9.495 1.00 0.00 H new ATOM 280 N TYR A 31 -23.792 0.275 -11.014 1.00 0.00 N ATOM 281 CA TYR A 31 -25.144 0.637 -11.432 1.00 0.00 C ATOM 282 C TYR A 31 -25.699 1.780 -10.581 1.00 0.00 C ATOM 283 O TYR A 31 -26.326 2.709 -11.087 1.00 0.00 O ATOM 284 CB TYR A 31 -26.045 -0.596 -11.357 1.00 0.00 C ATOM 285 CG TYR A 31 -27.467 -0.220 -11.705 1.00 0.00 C ATOM 286 CD1 TYR A 31 -27.842 -0.035 -13.042 1.00 0.00 C ATOM 287 CD2 TYR A 31 -28.408 -0.036 -10.685 1.00 0.00 C ATOM 288 CE1 TYR A 31 -29.115 0.464 -13.344 1.00 0.00 C ATOM 289 CE2 TYR A 31 -29.725 0.307 -11.001 1.00 0.00 C ATOM 290 CZ TYR A 31 -30.052 0.647 -12.318 1.00 0.00 C ATOM 291 OH TYR A 31 -31.333 1.056 -12.627 1.00 0.00 O ATOM 0 H TYR A 31 -23.693 -0.679 -10.668 1.00 0.00 H new ATOM 0 HA TYR A 31 -25.113 0.992 -12.462 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.684 -1.362 -12.043 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -26.008 -1.023 -10.355 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -27.152 -0.276 -13.837 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -28.116 -0.159 -9.653 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -29.374 0.707 -14.364 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -30.485 0.310 -10.234 1.00 0.00 H new ATOM 0 HH TYR A 31 -31.859 1.134 -11.804 1.00 0.00 H new ATOM 301 N SER A 32 -25.543 1.636 -9.269 1.00 0.00 N ATOM 302 CA SER A 32 -26.025 2.631 -8.319 1.00 0.00 C ATOM 303 C SER A 32 -25.378 2.403 -6.953 1.00 0.00 C ATOM 304 O SER A 32 -25.522 1.323 -6.374 1.00 0.00 O ATOM 305 CB SER A 32 -27.548 2.562 -8.170 1.00 0.00 C ATOM 306 OG SER A 32 -28.006 3.727 -7.494 1.00 0.00 O ATOM 0 H SER A 32 -25.083 0.834 -8.838 1.00 0.00 H new ATOM 0 HA SER A 32 -25.755 3.616 -8.700 1.00 0.00 H new ATOM 0 HB2 SER A 32 -28.018 2.488 -9.151 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.831 1.669 -7.613 1.00 0.00 H new ATOM 0 HG SER A 32 -28.981 3.688 -7.398 1.00 0.00 H new ATOM 312 N PRO A 33 -24.592 3.374 -6.452 1.00 0.00 N ATOM 313 CA PRO A 33 -24.003 3.283 -5.086 1.00 0.00 C ATOM 314 C PRO A 33 -25.058 3.037 -4.006 1.00 0.00 C ATOM 315 O PRO A 33 -24.807 2.328 -3.035 1.00 0.00 O ATOM 316 CB PRO A 33 -23.324 4.641 -4.886 1.00 0.00 C ATOM 317 CG PRO A 33 -23.052 5.140 -6.267 1.00 0.00 C ATOM 318 CD PRO A 33 -24.196 4.623 -7.137 1.00 0.00 C ATOM 0 HA PRO A 33 -23.316 2.441 -5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -23.968 5.328 -4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.402 4.542 -4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.009 6.229 -6.286 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.091 4.776 -6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -25.020 5.335 -7.187 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.873 4.437 -8.161 1.00 0.00 H new ATOM 326 N GLU A 34 -26.211 3.693 -4.159 1.00 0.00 N ATOM 327 CA GLU A 34 -27.255 3.651 -3.144 1.00 0.00 C ATOM 328 C GLU A 34 -27.879 2.262 -3.007 1.00 0.00 C ATOM 329 O GLU A 34 -28.362 1.905 -1.934 1.00 0.00 O ATOM 330 CB GLU A 34 -28.332 4.679 -3.496 1.00 0.00 C ATOM 331 CG GLU A 34 -29.480 4.651 -2.477 1.00 0.00 C ATOM 332 CD GLU A 34 -29.041 5.160 -1.105 1.00 0.00 C ATOM 333 OE1 GLU A 34 -28.046 5.864 -1.037 1.00 0.00 O ATOM 334 OE2 GLU A 34 -29.840 5.042 -0.191 1.00 0.00 O ATOM 0 H GLU A 34 -26.441 4.258 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.801 3.890 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -27.892 5.676 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -28.722 4.474 -4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -30.305 5.262 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -29.856 3.632 -2.382 1.00 0.00 H new ATOM 341 N LEU A 35 -28.118 1.617 -4.147 1.00 0.00 N ATOM 342 CA LEU A 35 -28.572 0.227 -4.164 1.00 0.00 C ATOM 343 C LEU A 35 -27.512 -0.693 -3.561 1.00 0.00 C ATOM 344 O LEU A 35 -27.766 -1.340 -2.542 1.00 0.00 O ATOM 345 CB LEU A 35 -28.907 -0.197 -5.598 1.00 0.00 C ATOM 346 CG LEU A 35 -30.160 0.540 -6.089 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.363 0.298 -7.588 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.398 0.046 -5.338 1.00 0.00 C ATOM 0 H LEU A 35 -28.005 2.034 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.473 0.145 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -28.066 0.022 -6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -29.070 -1.274 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 35 -30.021 1.605 -5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -31.255 0.826 -7.924 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.496 0.665 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.483 -0.770 -7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.278 0.579 -5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.525 -1.023 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.274 0.230 -4.271 1.00 0.00 H new ATOM 360 N ALA A 36 -26.264 -0.411 -3.925 1.00 0.00 N ATOM 361 CA ALA A 36 -25.111 -1.146 -3.409 1.00 0.00 C ATOM 362 C ALA A 36 -24.987 -0.971 -1.901 1.00 0.00 C ATOM 363 O ALA A 36 -24.577 -1.889 -1.190 1.00 0.00 O ATOM 364 CB ALA A 36 -23.826 -0.668 -4.088 1.00 0.00 C ATOM 0 H ALA A 36 -26.023 0.330 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.261 -2.203 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.977 -1.225 -3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.899 -0.833 -5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.685 0.395 -3.893 1.00 0.00 H new ATOM 370 N LYS A 37 -25.327 0.226 -1.434 1.00 0.00 N ATOM 371 CA LYS A 37 -25.291 0.531 -0.010 1.00 0.00 C ATOM 372 C LYS A 37 -26.207 -0.373 0.802 1.00 0.00 C ATOM 373 O LYS A 37 -25.772 -0.953 1.796 1.00 0.00 O ATOM 374 CB LYS A 37 -25.706 2.003 0.140 1.00 0.00 C ATOM 375 CG LYS A 37 -25.954 2.408 1.600 1.00 0.00 C ATOM 376 CD LYS A 37 -24.716 2.276 2.484 1.00 0.00 C ATOM 377 CE LYS A 37 -25.031 2.934 3.831 1.00 0.00 C ATOM 378 NZ LYS A 37 -24.001 2.541 4.830 1.00 0.00 N ATOM 0 H LYS A 37 -25.631 1.001 -2.023 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.287 0.358 0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -24.928 2.639 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.612 2.181 -0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -26.304 3.440 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -26.752 1.789 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -24.456 1.227 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -23.858 2.758 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -25.051 4.018 3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -26.020 2.629 4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -24.468 2.184 5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -23.396 1.796 4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.418 3.368 5.071 1.00 0.00 H new ATOM 392 N ARG A 38 -27.441 -0.549 0.350 1.00 0.00 N ATOM 393 CA ARG A 38 -28.363 -1.413 1.076 1.00 0.00 C ATOM 394 C ARG A 38 -27.897 -2.867 1.073 1.00 0.00 C ATOM 395 O ARG A 38 -27.783 -3.494 2.124 1.00 0.00 O ATOM 396 CB ARG A 38 -29.760 -1.270 0.466 1.00 0.00 C ATOM 397 CG ARG A 38 -30.311 0.120 0.799 1.00 0.00 C ATOM 398 CD ARG A 38 -31.693 0.335 0.177 1.00 0.00 C ATOM 399 NE ARG A 38 -32.190 1.665 0.538 1.00 0.00 N ATOM 400 CZ ARG A 38 -33.462 2.014 0.377 1.00 0.00 C ATOM 401 NH1 ARG A 38 -34.342 1.125 0.014 1.00 0.00 N ATOM 402 NH2 ARG A 38 -33.801 3.274 0.401 1.00 0.00 N ATOM 0 H ARG A 38 -27.820 -0.118 -0.493 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.393 -1.104 2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.715 -1.408 -0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.423 -2.041 0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.374 0.239 1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.623 0.883 0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -31.634 0.239 -0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -32.385 -0.431 0.528 1.00 0.00 H new ATOM 0 HE ARG A 38 -31.538 2.346 0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -34.055 0.160 -0.147 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -35.318 1.394 -0.109 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -33.090 3.991 0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -34.777 3.542 0.277 1.00 0.00 H new ATOM 416 N TYR A 39 -27.446 -3.335 -0.094 1.00 0.00 N ATOM 417 CA TYR A 39 -27.040 -4.732 -0.249 1.00 0.00 C ATOM 418 C TYR A 39 -25.837 -5.129 0.604 1.00 0.00 C ATOM 419 O TYR A 39 -25.768 -6.255 1.096 1.00 0.00 O ATOM 420 CB TYR A 39 -26.760 -5.054 -1.720 1.00 0.00 C ATOM 421 CG TYR A 39 -28.064 -5.038 -2.485 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.922 -6.146 -2.406 1.00 0.00 C ATOM 423 CD2 TYR A 39 -28.268 -4.094 -3.501 1.00 0.00 C ATOM 424 CE1 TYR A 39 -30.175 -6.095 -3.035 1.00 0.00 C ATOM 425 CE2 TYR A 39 -29.470 -4.106 -4.223 1.00 0.00 C ATOM 426 CZ TYR A 39 -30.437 -5.089 -3.971 1.00 0.00 C ATOM 427 OH TYR A 39 -31.586 -5.139 -4.736 1.00 0.00 O ATOM 0 H TYR A 39 -27.354 -2.771 -0.939 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.883 -5.322 0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -26.068 -4.324 -2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -26.284 -6.031 -1.808 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -28.620 -7.031 -1.865 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.505 -3.363 -3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.932 -6.828 -2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.652 -3.354 -4.977 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.614 -4.364 -5.335 1.00 0.00 H new ATOM 437 N VAL A 40 -24.804 -4.292 0.588 1.00 0.00 N ATOM 438 CA VAL A 40 -23.604 -4.560 1.375 1.00 0.00 C ATOM 439 C VAL A 40 -23.905 -4.514 2.869 1.00 0.00 C ATOM 440 O VAL A 40 -23.241 -5.186 3.650 1.00 0.00 O ATOM 441 CB VAL A 40 -22.478 -3.593 1.007 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.299 -3.777 1.972 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.987 -3.875 -0.413 1.00 0.00 C ATOM 0 H VAL A 40 -24.773 -3.430 0.044 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.267 -5.569 1.136 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.862 -2.575 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.499 -3.086 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.628 -3.575 2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.931 -4.801 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.185 -3.181 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.614 -4.897 -0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.811 -3.748 -1.115 1.00 0.00 H new ATOM 453 N GLU A 41 -24.671 -3.499 3.262 1.00 0.00 N ATOM 454 CA GLU A 41 -24.954 -3.232 4.672 1.00 0.00 C ATOM 455 C GLU A 41 -25.756 -4.397 5.248 1.00 0.00 C ATOM 456 O GLU A 41 -25.436 -4.907 6.321 1.00 0.00 O ATOM 457 CB GLU A 41 -25.726 -1.914 4.807 1.00 0.00 C ATOM 458 CG GLU A 41 -25.950 -1.571 6.286 1.00 0.00 C ATOM 459 CD GLU A 41 -26.685 -0.239 6.452 1.00 0.00 C ATOM 460 OE1 GLU A 41 -27.203 0.281 5.477 1.00 0.00 O ATOM 461 OE2 GLU A 41 -26.755 0.223 7.578 1.00 0.00 O ATOM 0 H GLU A 41 -25.111 -2.842 2.618 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.022 -3.136 5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -25.173 -1.110 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.686 -1.994 4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -26.525 -2.366 6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.989 -1.523 6.798 1.00 0.00 H new ATOM 468 N LEU A 42 -26.576 -4.982 4.385 1.00 0.00 N ATOM 469 CA LEU A 42 -27.068 -6.341 4.587 1.00 0.00 C ATOM 470 C LEU A 42 -25.955 -7.390 4.616 1.00 0.00 C ATOM 471 O LEU A 42 -25.904 -8.183 5.556 1.00 0.00 O ATOM 472 CB LEU A 42 -28.050 -6.637 3.449 1.00 0.00 C ATOM 473 CG LEU A 42 -28.511 -8.099 3.431 1.00 0.00 C ATOM 474 CD1 LEU A 42 -29.268 -8.488 4.704 1.00 0.00 C ATOM 475 CD2 LEU A 42 -29.450 -8.285 2.236 1.00 0.00 C ATOM 0 H LEU A 42 -26.917 -4.535 3.534 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.548 -6.400 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.920 -5.987 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.578 -6.397 2.496 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.627 -8.733 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.573 -9.533 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.620 -8.350 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -30.151 -7.858 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.793 -9.319 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -30.308 -7.621 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.918 -8.047 1.315 1.00 0.00 H new ATOM 487 N ALA A 43 -24.986 -7.304 3.706 1.00 0.00 N ATOM 488 CA ALA A 43 -23.903 -8.286 3.682 1.00 0.00 C ATOM 489 C ALA A 43 -23.056 -8.215 4.950 1.00 0.00 C ATOM 490 O ALA A 43 -22.519 -9.225 5.402 1.00 0.00 O ATOM 491 CB ALA A 43 -23.012 -8.069 2.454 1.00 0.00 C ATOM 0 H ALA A 43 -24.928 -6.580 2.989 1.00 0.00 H new ATOM 0 HA ALA A 43 -24.358 -9.275 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -22.211 -8.808 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.609 -8.177 1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.582 -7.068 2.489 1.00 0.00 H new ATOM 497 N LEU A 44 -22.814 -6.998 5.422 1.00 0.00 N ATOM 498 CA LEU A 44 -21.982 -6.785 6.603 1.00 0.00 C ATOM 499 C LEU A 44 -22.615 -7.424 7.840 1.00 0.00 C ATOM 500 O LEU A 44 -21.937 -8.090 8.623 1.00 0.00 O ATOM 501 CB LEU A 44 -21.801 -5.283 6.837 1.00 0.00 C ATOM 502 CG LEU A 44 -20.713 -4.660 5.944 1.00 0.00 C ATOM 503 CD1 LEU A 44 -19.500 -4.292 6.803 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.256 -5.574 4.799 1.00 0.00 C ATOM 0 H LEU A 44 -23.182 -6.142 5.006 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.012 -7.253 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.748 -4.776 6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.546 -5.112 7.883 1.00 0.00 H new ATOM 0 HG LEU A 44 -21.158 -3.777 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.728 -3.851 6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.799 -3.574 7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.108 -5.189 7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.489 -5.068 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -19.848 -6.497 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -21.106 -5.808 4.158 1.00 0.00 H new ATOM 516 N LEU A 45 -23.932 -7.267 7.968 1.00 0.00 N ATOM 517 CA LEU A 45 -24.696 -7.903 9.037 1.00 0.00 C ATOM 518 C LEU A 45 -24.622 -9.419 8.916 1.00 0.00 C ATOM 519 O LEU A 45 -24.280 -10.111 9.871 1.00 0.00 O ATOM 520 CB LEU A 45 -26.151 -7.429 9.001 1.00 0.00 C ATOM 521 CG LEU A 45 -26.969 -8.117 10.104 1.00 0.00 C ATOM 522 CD1 LEU A 45 -26.519 -7.640 11.491 1.00 0.00 C ATOM 523 CD2 LEU A 45 -28.456 -7.807 9.909 1.00 0.00 C ATOM 0 H LEU A 45 -24.496 -6.698 7.336 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.262 -7.616 9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.191 -6.348 9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -26.587 -7.648 8.026 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.807 -9.193 10.038 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -27.111 -8.140 12.257 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -25.465 -7.879 11.634 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -26.660 -6.562 11.569 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -29.035 -8.296 10.692 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -28.613 -6.730 9.960 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -28.780 -8.175 8.935 1.00 0.00 H new ATOM 535 N VAL A 46 -24.732 -9.898 7.682 1.00 0.00 N ATOM 536 CA VAL A 46 -24.627 -11.325 7.400 1.00 0.00 C ATOM 537 C VAL A 46 -23.243 -11.827 7.805 1.00 0.00 C ATOM 538 O VAL A 46 -23.115 -12.897 8.399 1.00 0.00 O ATOM 539 CB VAL A 46 -24.894 -11.577 5.912 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.589 -13.039 5.575 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.366 -11.283 5.603 1.00 0.00 C ATOM 0 H VAL A 46 -24.894 -9.318 6.859 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.372 -11.872 7.978 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.256 -10.926 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.780 -13.216 4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.543 -13.253 5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -25.227 -13.691 6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.558 -11.462 4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -27.001 -11.935 6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.587 -10.243 5.841 1.00 0.00 H new ATOM 551 N GLN A 47 -22.208 -11.069 7.450 1.00 0.00 N ATOM 552 CA GLN A 47 -20.833 -11.533 7.607 1.00 0.00 C ATOM 553 C GLN A 47 -20.495 -11.766 9.080 1.00 0.00 C ATOM 554 O GLN A 47 -19.949 -12.813 9.430 1.00 0.00 O ATOM 555 CB GLN A 47 -19.899 -10.466 7.021 1.00 0.00 C ATOM 556 CG GLN A 47 -18.435 -10.912 7.104 1.00 0.00 C ATOM 557 CD GLN A 47 -17.519 -9.821 6.558 1.00 0.00 C ATOM 558 OE1 GLN A 47 -16.833 -10.030 5.466 1.00 0.00 O flip ATOM 559 NE2 GLN A 47 -17.479 -8.719 7.103 1.00 0.00 N flip ATOM 0 H GLN A 47 -22.295 -10.134 7.053 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.709 -12.482 7.085 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.166 -10.275 5.982 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.028 -9.528 7.561 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.173 -11.133 8.139 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.295 -11.832 6.536 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.013 -8.552 7.956 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -16.912 -7.972 6.702 1.00 0.00 H new ATOM 568 N GLN A 48 -20.878 -10.832 9.952 1.00 0.00 N ATOM 569 CA GLN A 48 -20.682 -11.032 11.387 1.00 0.00 C ATOM 570 C GLN A 48 -21.559 -12.149 11.957 1.00 0.00 C ATOM 571 O GLN A 48 -21.084 -12.965 12.749 1.00 0.00 O ATOM 572 CB GLN A 48 -20.896 -9.728 12.166 1.00 0.00 C ATOM 573 CG GLN A 48 -22.352 -9.254 12.087 1.00 0.00 C ATOM 574 CD GLN A 48 -22.535 -7.963 12.884 1.00 0.00 C ATOM 575 OE1 GLN A 48 -23.475 -7.129 12.543 1.00 0.00 O flip ATOM 576 NE2 GLN A 48 -21.872 -7.752 13.897 1.00 0.00 N flip ATOM 0 H GLN A 48 -21.317 -9.947 9.697 1.00 0.00 H new ATOM 0 HA GLN A 48 -19.646 -11.346 11.511 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -20.618 -9.877 13.209 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -20.239 -8.954 11.768 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -22.632 -9.089 11.046 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.015 -10.027 12.477 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -21.135 -8.402 14.168 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -22.059 -6.927 14.466 1.00 0.00 H new ATOM 585 N LYS A 49 -22.822 -12.201 11.532 1.00 0.00 N ATOM 586 CA LYS A 49 -23.751 -13.234 11.991 1.00 0.00 C ATOM 587 C LYS A 49 -23.299 -14.626 11.560 1.00 0.00 C ATOM 588 O LYS A 49 -23.416 -15.586 12.319 1.00 0.00 O ATOM 589 CB LYS A 49 -25.169 -12.969 11.470 1.00 0.00 C ATOM 590 CG LYS A 49 -25.753 -11.679 12.065 1.00 0.00 C ATOM 591 CD LYS A 49 -25.946 -11.806 13.584 1.00 0.00 C ATOM 592 CE LYS A 49 -26.540 -10.512 14.148 1.00 0.00 C ATOM 593 NZ LYS A 49 -26.750 -10.660 15.616 1.00 0.00 N ATOM 0 H LYS A 49 -23.225 -11.539 10.870 1.00 0.00 H new ATOM 0 HA LYS A 49 -23.759 -13.195 13.080 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.151 -12.894 10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -25.814 -13.811 11.721 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -25.089 -10.842 11.849 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -26.709 -11.457 11.591 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -26.605 -12.645 13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -24.990 -12.016 14.064 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -25.871 -9.675 13.948 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -27.486 -10.289 13.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -27.153 -9.781 15.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -27.404 -11.448 15.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -25.839 -10.854 16.079 1.00 0.00 H new ATOM 607 N ALA A 50 -22.834 -14.735 10.322 1.00 0.00 N ATOM 608 CA ALA A 50 -22.313 -16.001 9.819 1.00 0.00 C ATOM 609 C ALA A 50 -20.961 -16.314 10.453 1.00 0.00 C ATOM 610 O ALA A 50 -20.462 -17.436 10.341 1.00 0.00 O ATOM 611 CB ALA A 50 -22.195 -15.928 8.296 1.00 0.00 C ATOM 0 H ALA A 50 -22.807 -13.968 9.651 1.00 0.00 H new ATOM 0 HA ALA A 50 -22.999 -16.805 10.085 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.806 -16.872 7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -23.178 -15.740 7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.517 -15.120 8.022 1.00 0.00 H new ATOM 617 N LYS A 51 -20.379 -15.305 11.102 1.00 0.00 N ATOM 618 CA LYS A 51 -19.092 -15.456 11.770 1.00 0.00 C ATOM 619 C LYS A 51 -18.048 -15.978 10.782 1.00 0.00 C ATOM 620 O LYS A 51 -17.267 -16.874 11.101 1.00 0.00 O ATOM 621 CB LYS A 51 -19.212 -16.383 12.988 1.00 0.00 C ATOM 622 CG LYS A 51 -18.328 -15.845 14.115 1.00 0.00 C ATOM 623 CD LYS A 51 -18.551 -16.666 15.386 1.00 0.00 C ATOM 624 CE LYS A 51 -17.644 -16.119 16.490 1.00 0.00 C ATOM 625 NZ LYS A 51 -17.843 -16.891 17.749 1.00 0.00 N ATOM 0 H LYS A 51 -20.783 -14.371 11.178 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.769 -14.479 12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.249 -16.438 13.318 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.908 -17.395 12.722 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.280 -15.891 13.821 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.560 -14.797 14.303 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.595 -16.610 15.693 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.329 -17.717 15.201 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.601 -16.181 16.178 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.863 -15.065 16.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.222 -16.511 18.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -18.835 -16.811 18.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.612 -17.891 17.583 1.00 0.00 H new ATOM 639 N VAL A 52 -17.855 -15.205 9.719 1.00 0.00 N ATOM 640 CA VAL A 52 -16.842 -15.507 8.714 1.00 0.00 C ATOM 641 C VAL A 52 -15.802 -14.395 8.648 1.00 0.00 C ATOM 642 O VAL A 52 -16.141 -13.218 8.772 1.00 0.00 O ATOM 643 CB VAL A 52 -17.500 -15.656 7.339 1.00 0.00 C ATOM 644 CG1 VAL A 52 -18.263 -16.983 7.278 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.484 -14.505 7.101 1.00 0.00 C ATOM 0 H VAL A 52 -18.391 -14.358 9.530 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.351 -16.439 8.994 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.725 -15.636 6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -18.731 -17.089 6.299 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.570 -17.809 7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -19.031 -16.997 8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -18.947 -14.619 6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.255 -14.521 7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.950 -13.556 7.142 1.00 0.00 H new ATOM 655 N LYS A 53 -14.534 -14.799 8.683 1.00 0.00 N ATOM 656 CA LYS A 53 -13.437 -13.848 8.551 1.00 0.00 C ATOM 657 C LYS A 53 -13.068 -13.696 7.083 1.00 0.00 C ATOM 658 O LYS A 53 -12.884 -14.686 6.378 1.00 0.00 O ATOM 659 CB LYS A 53 -12.216 -14.343 9.332 1.00 0.00 C ATOM 660 CG LYS A 53 -12.525 -14.463 10.828 1.00 0.00 C ATOM 661 CD LYS A 53 -12.820 -13.086 11.437 1.00 0.00 C ATOM 662 CE LYS A 53 -13.127 -13.237 12.930 1.00 0.00 C ATOM 663 NZ LYS A 53 -13.390 -11.890 13.511 1.00 0.00 N ATOM 0 H LYS A 53 -14.244 -15.770 8.801 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.753 -12.885 8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.902 -15.312 8.944 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.383 -13.655 9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.381 -15.121 10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.680 -14.920 11.343 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.965 -12.425 11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.666 -12.626 10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.993 -13.884 13.073 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.288 -13.710 13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.599 -11.984 14.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.551 -11.288 13.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.203 -11.457 13.029 1.00 0.00 H new ATOM 677 N ILE A 54 -12.801 -12.461 6.679 1.00 0.00 N ATOM 678 CA ILE A 54 -12.393 -12.183 5.309 1.00 0.00 C ATOM 679 C ILE A 54 -11.155 -11.293 5.346 1.00 0.00 C ATOM 680 O ILE A 54 -11.226 -10.161 5.824 1.00 0.00 O ATOM 681 CB ILE A 54 -13.553 -11.495 4.573 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.578 -12.537 4.107 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.039 -10.729 3.351 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.504 -12.940 5.258 1.00 0.00 C ATOM 0 H ILE A 54 -12.859 -11.638 7.279 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.149 -13.103 4.777 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.023 -10.798 5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.168 -12.132 3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.061 -13.417 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.876 -10.249 2.844 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.325 -9.970 3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -12.549 -11.422 2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.223 -13.680 4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -14.913 -13.367 6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -16.037 -12.061 5.621 1.00 0.00 H new ATOM 696 N PRO A 55 -9.971 -11.867 5.054 1.00 0.00 N ATOM 697 CA PRO A 55 -8.689 -11.116 5.137 1.00 0.00 C ATOM 698 C PRO A 55 -8.682 -9.858 4.278 1.00 0.00 C ATOM 699 O PRO A 55 -8.161 -8.832 4.708 1.00 0.00 O ATOM 700 CB PRO A 55 -7.631 -12.111 4.661 1.00 0.00 C ATOM 701 CG PRO A 55 -8.218 -13.450 4.950 1.00 0.00 C ATOM 702 CD PRO A 55 -9.735 -13.299 4.797 1.00 0.00 C ATOM 0 HA PRO A 55 -8.510 -10.757 6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.423 -11.990 3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.688 -11.969 5.188 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.831 -14.201 4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.960 -13.778 5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.068 -13.587 3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.274 -13.927 5.506 1.00 0.00 H new ATOM 710 N ARG A 56 -9.247 -9.950 3.068 1.00 0.00 N ATOM 711 CA ARG A 56 -9.140 -8.850 2.115 1.00 0.00 C ATOM 712 C ARG A 56 -10.449 -8.547 1.378 1.00 0.00 C ATOM 713 O ARG A 56 -10.680 -7.389 1.035 1.00 0.00 O ATOM 714 CB ARG A 56 -7.988 -9.102 1.137 1.00 0.00 C ATOM 715 CG ARG A 56 -6.659 -8.979 1.890 1.00 0.00 C ATOM 716 CD ARG A 56 -5.477 -9.258 0.961 1.00 0.00 C ATOM 717 NE ARG A 56 -4.225 -9.109 1.696 1.00 0.00 N ATOM 718 CZ ARG A 56 -3.668 -10.109 2.365 1.00 0.00 C ATOM 719 NH1 ARG A 56 -4.236 -11.279 2.434 1.00 0.00 N ATOM 720 NH2 ARG A 56 -2.516 -9.918 2.941 1.00 0.00 N ATOM 0 H ARG A 56 -9.772 -10.759 2.735 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.922 -7.953 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.080 -10.094 0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.025 -8.383 0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.567 -7.978 2.312 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.643 -9.679 2.725 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.553 -10.266 0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.497 -8.571 0.115 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.761 -8.201 1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.128 -11.441 1.967 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.788 -12.033 2.955 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.056 -9.010 2.873 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.073 -10.676 3.460 1.00 0.00 H new ATOM 734 N LYS A 57 -11.294 -9.544 1.091 1.00 0.00 N ATOM 735 CA LYS A 57 -12.312 -9.359 0.049 1.00 0.00 C ATOM 736 C LYS A 57 -13.300 -8.244 0.399 1.00 0.00 C ATOM 737 O LYS A 57 -13.884 -7.658 -0.511 1.00 0.00 O ATOM 738 CB LYS A 57 -13.157 -10.622 -0.177 1.00 0.00 C ATOM 739 CG LYS A 57 -12.367 -11.774 -0.804 1.00 0.00 C ATOM 740 CD LYS A 57 -13.328 -12.961 -0.961 1.00 0.00 C ATOM 741 CE LYS A 57 -12.622 -14.163 -1.591 1.00 0.00 C ATOM 742 NZ LYS A 57 -13.587 -15.297 -1.709 1.00 0.00 N ATOM 0 H LYS A 57 -11.297 -10.457 1.547 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.743 -9.110 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.570 -10.950 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.001 -10.376 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.961 -11.479 -1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.521 -12.047 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.728 -13.240 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.175 -12.667 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.234 -13.897 -2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.769 -14.459 -0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.397 -15.825 -2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.479 -15.931 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.558 -14.925 -1.733 1.00 0.00 H new ATOM 756 N TRP A 58 -13.760 -8.216 1.652 1.00 0.00 N ATOM 757 CA TRP A 58 -14.629 -7.126 2.103 1.00 0.00 C ATOM 758 C TRP A 58 -13.863 -6.059 2.879 1.00 0.00 C ATOM 759 O TRP A 58 -14.029 -4.867 2.625 1.00 0.00 O ATOM 760 CB TRP A 58 -15.791 -7.680 2.943 1.00 0.00 C ATOM 761 CG TRP A 58 -17.006 -7.839 2.080 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.496 -9.016 1.628 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.708 -6.800 1.331 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.550 -8.763 0.770 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.675 -7.416 0.497 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.393 -5.455 1.076 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.362 -6.690 -0.485 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.041 -4.746 0.055 1.00 0.00 C ATOM 769 CH2 TRP A 58 -18.964 -5.384 -0.778 1.00 0.00 C ATOM 0 H TRP A 58 -13.551 -8.920 2.360 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.033 -6.644 1.213 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -15.513 -8.640 3.377 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.007 -7.006 3.772 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.124 -9.994 1.894 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.161 -9.484 0.386 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -16.642 -4.961 1.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.193 -7.137 -1.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.825 -3.698 -0.089 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.366 -4.872 -1.640 1.00 0.00 H new ATOM 780 N LYS A 59 -12.820 -6.507 3.567 1.00 0.00 N ATOM 781 CA LYS A 59 -12.075 -5.642 4.473 1.00 0.00 C ATOM 782 C LYS A 59 -11.409 -4.493 3.721 1.00 0.00 C ATOM 783 O LYS A 59 -11.291 -3.384 4.242 1.00 0.00 O ATOM 784 CB LYS A 59 -11.040 -6.471 5.227 1.00 0.00 C ATOM 785 CG LYS A 59 -10.324 -5.607 6.268 1.00 0.00 C ATOM 786 CD LYS A 59 -9.338 -6.478 7.047 1.00 0.00 C ATOM 787 CE LYS A 59 -8.612 -5.639 8.099 1.00 0.00 C ATOM 788 NZ LYS A 59 -9.585 -5.104 9.094 1.00 0.00 N ATOM 0 H LYS A 59 -12.471 -7.464 3.515 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.770 -5.200 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.526 -7.315 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.315 -6.884 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.797 -4.788 5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.049 -5.159 6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.868 -7.299 7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.615 -6.923 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.861 -6.247 8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.084 -4.816 7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.073 -4.774 9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.110 -4.310 8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.252 -5.855 9.366 1.00 0.00 H new ATOM 802 N ARG A 60 -10.786 -4.837 2.595 1.00 0.00 N ATOM 803 CA ARG A 60 -9.991 -3.886 1.825 1.00 0.00 C ATOM 804 C ARG A 60 -10.801 -3.256 0.695 1.00 0.00 C ATOM 805 O ARG A 60 -10.255 -2.492 -0.103 1.00 0.00 O ATOM 806 CB ARG A 60 -8.754 -4.599 1.271 1.00 0.00 C ATOM 807 CG ARG A 60 -7.872 -5.112 2.419 1.00 0.00 C ATOM 808 CD ARG A 60 -7.231 -3.935 3.160 1.00 0.00 C ATOM 809 NE ARG A 60 -6.205 -3.327 2.312 1.00 0.00 N ATOM 810 CZ ARG A 60 -5.498 -2.270 2.690 1.00 0.00 C ATOM 811 NH1 ARG A 60 -5.670 -1.728 3.862 1.00 0.00 N ATOM 812 NH2 ARG A 60 -4.594 -1.779 1.888 1.00 0.00 N ATOM 0 H ARG A 60 -10.818 -5.775 2.195 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.683 -3.076 2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.060 -5.432 0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.183 -3.915 0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.471 -5.704 3.111 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.097 -5.769 2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.990 -3.196 3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.789 -4.277 4.096 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.026 -3.732 1.393 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.358 -2.116 4.507 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.117 -0.916 4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.434 -2.208 0.976 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.047 -0.966 2.173 1.00 0.00 H new ATOM 826 N ARG A 61 -12.060 -3.670 0.556 1.00 0.00 N ATOM 827 CA ARG A 61 -12.865 -3.288 -0.601 1.00 0.00 C ATOM 828 C ARG A 61 -14.131 -2.543 -0.187 1.00 0.00 C ATOM 829 O ARG A 61 -15.191 -2.762 -0.772 1.00 0.00 O ATOM 830 CB ARG A 61 -13.226 -4.521 -1.435 1.00 0.00 C ATOM 831 CG ARG A 61 -11.962 -5.067 -2.104 1.00 0.00 C ATOM 832 CD ARG A 61 -12.282 -6.319 -2.926 1.00 0.00 C ATOM 833 NE ARG A 61 -11.059 -6.821 -3.536 1.00 0.00 N ATOM 834 CZ ARG A 61 -11.083 -7.715 -4.518 1.00 0.00 C ATOM 835 NH1 ARG A 61 -12.182 -8.348 -4.825 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.959 -8.091 -5.050 1.00 0.00 N ATOM 0 H ARG A 61 -12.542 -4.267 1.228 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.264 -2.611 -1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.674 -5.285 -0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.967 -4.259 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.527 -4.304 -2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.217 -5.305 -1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.724 -7.084 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.016 -6.084 -3.697 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.159 -6.477 -3.200 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.041 -8.159 -4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.182 -9.031 -5.582 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.079 -7.701 -4.712 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.956 -8.777 -5.805 1.00 0.00 H new ATOM 850 N TYR A 62 -14.087 -1.830 0.937 1.00 0.00 N ATOM 851 CA TYR A 62 -15.279 -1.097 1.372 1.00 0.00 C ATOM 852 C TYR A 62 -14.926 0.203 2.098 1.00 0.00 C ATOM 853 O TYR A 62 -13.785 0.385 2.516 1.00 0.00 O ATOM 854 CB TYR A 62 -16.151 -1.987 2.266 1.00 0.00 C ATOM 855 CG TYR A 62 -15.663 -2.006 3.701 1.00 0.00 C ATOM 856 CD1 TYR A 62 -14.343 -2.379 4.000 1.00 0.00 C ATOM 857 CD2 TYR A 62 -16.384 -1.279 4.657 1.00 0.00 C ATOM 858 CE1 TYR A 62 -13.865 -2.239 5.309 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.001 -1.351 6.002 1.00 0.00 C ATOM 860 CZ TYR A 62 -14.749 -1.881 6.331 1.00 0.00 C ATOM 861 OH TYR A 62 -14.294 -1.796 7.632 1.00 0.00 O ATOM 0 H TYR A 62 -13.273 -1.743 1.545 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.839 -0.825 0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.181 -1.630 2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.155 -3.003 1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -13.700 -2.771 3.226 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.225 -0.670 4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -12.821 -2.406 5.527 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.666 -1.001 6.778 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.033 -1.535 8.221 1.00 0.00 H new ATOM 871 N CYS A 63 -15.899 1.120 2.187 1.00 0.00 N ATOM 872 CA CYS A 63 -15.721 2.363 2.943 1.00 0.00 C ATOM 873 C CYS A 63 -16.276 2.171 4.348 1.00 0.00 C ATOM 874 O CYS A 63 -17.278 1.476 4.533 1.00 0.00 O ATOM 875 CB CYS A 63 -16.453 3.548 2.291 1.00 0.00 C ATOM 876 SG CYS A 63 -17.074 4.692 3.559 1.00 0.00 S ATOM 0 H CYS A 63 -16.814 1.023 1.746 1.00 0.00 H new ATOM 0 HA CYS A 63 -14.655 2.589 2.962 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -15.776 4.075 1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -17.283 3.182 1.686 1.00 0.00 H new ATOM 881 N LYS A 64 -15.668 2.856 5.311 1.00 0.00 N ATOM 882 CA LYS A 64 -16.035 2.672 6.710 1.00 0.00 C ATOM 883 C LYS A 64 -17.476 3.099 6.986 1.00 0.00 C ATOM 884 O LYS A 64 -18.159 2.484 7.803 1.00 0.00 O ATOM 885 CB LYS A 64 -15.094 3.529 7.565 1.00 0.00 C ATOM 886 CG LYS A 64 -13.669 2.963 7.517 1.00 0.00 C ATOM 887 CD LYS A 64 -12.730 3.854 8.337 1.00 0.00 C ATOM 888 CE LYS A 64 -11.318 3.259 8.387 1.00 0.00 C ATOM 889 NZ LYS A 64 -10.731 3.192 7.017 1.00 0.00 N ATOM 0 H LYS A 64 -14.926 3.537 5.151 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.950 1.613 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.097 4.557 7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.449 3.553 8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.658 1.947 7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.324 2.908 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.694 4.851 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.119 3.965 9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.683 3.867 9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.353 2.261 8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.810 2.710 7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.371 2.664 6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.601 4.155 6.647 1.00 0.00 H new ATOM 903 N LYS A 65 -17.895 4.218 6.398 1.00 0.00 N ATOM 904 CA LYS A 65 -19.286 4.653 6.486 1.00 0.00 C ATOM 905 C LYS A 65 -20.209 4.016 5.444 1.00 0.00 C ATOM 906 O LYS A 65 -21.338 3.658 5.779 1.00 0.00 O ATOM 907 CB LYS A 65 -19.385 6.178 6.506 1.00 0.00 C ATOM 908 CG LYS A 65 -20.863 6.545 6.695 1.00 0.00 C ATOM 909 CD LYS A 65 -21.076 8.059 6.783 1.00 0.00 C ATOM 910 CE LYS A 65 -22.572 8.323 6.987 1.00 0.00 C ATOM 911 NZ LYS A 65 -22.804 9.788 7.111 1.00 0.00 N ATOM 0 H LYS A 65 -17.292 4.838 5.857 1.00 0.00 H new ATOM 0 HA LYS A 65 -19.660 4.281 7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -18.782 6.590 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -19.002 6.599 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -21.444 6.146 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.240 6.073 7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -20.501 8.476 7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -20.725 8.545 5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.141 7.924 6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -22.924 7.811 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -23.794 10.004 6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.604 10.090 8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -22.176 10.296 6.456 1.00 0.00 H new ATOM 925 N CYS A 66 -19.734 3.769 4.220 1.00 0.00 N ATOM 926 CA CYS A 66 -20.656 3.340 3.167 1.00 0.00 C ATOM 927 C CYS A 66 -21.169 1.949 3.482 1.00 0.00 C ATOM 928 O CYS A 66 -22.172 1.536 2.907 1.00 0.00 O ATOM 929 CB CYS A 66 -19.962 3.137 1.818 1.00 0.00 C ATOM 930 SG CYS A 66 -19.686 4.658 0.885 1.00 0.00 S ATOM 0 H CYS A 66 -18.757 3.854 3.941 1.00 0.00 H new ATOM 0 HA CYS A 66 -21.420 4.116 3.120 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -19.002 2.649 1.987 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -20.562 2.458 1.213 1.00 0.00 H new ATOM 935 N HIS A 67 -20.239 1.118 3.940 1.00 0.00 N ATOM 936 CA HIS A 67 -20.529 -0.309 4.031 1.00 0.00 C ATOM 937 C HIS A 67 -20.776 -0.844 2.623 1.00 0.00 C ATOM 938 O HIS A 67 -21.910 -1.239 2.367 1.00 0.00 O ATOM 939 CB HIS A 67 -21.714 -0.587 4.964 1.00 0.00 C ATOM 940 CG HIS A 67 -21.331 -0.169 6.353 1.00 0.00 C ATOM 941 ND1 HIS A 67 -20.411 -0.883 7.103 1.00 0.00 N ATOM 942 CD2 HIS A 67 -21.529 1.009 7.028 1.00 0.00 C ATOM 943 CE1 HIS A 67 -20.034 -0.102 8.129 1.00 0.00 C ATOM 944 NE2 HIS A 67 -20.690 1.060 8.135 1.00 0.00 N ATOM 0 H HIS A 67 -19.306 1.395 4.245 1.00 0.00 H new ATOM 0 HA HIS A 67 -19.675 -0.827 4.468 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -22.595 -0.038 4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -21.972 -1.646 4.944 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -22.230 1.779 6.743 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -19.290 -0.381 8.860 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -20.596 1.822 8.807 1.00 0.00 H new ATOM 953 N ALA A 68 -20.072 -0.204 1.692 1.00 0.00 N ATOM 954 CA ALA A 68 -20.247 -0.414 0.258 1.00 0.00 C ATOM 955 C ALA A 68 -18.891 -0.663 -0.386 1.00 0.00 C ATOM 956 O ALA A 68 -17.905 -0.054 0.033 1.00 0.00 O ATOM 957 CB ALA A 68 -20.874 0.809 -0.405 1.00 0.00 C ATOM 0 H ALA A 68 -19.354 0.485 1.916 1.00 0.00 H new ATOM 0 HA ALA A 68 -20.906 -1.272 0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.992 0.624 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.850 1.004 0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.228 1.675 -0.256 1.00 0.00 H new ATOM 963 N PHE A 69 -18.918 -1.271 -1.570 1.00 0.00 N ATOM 964 CA PHE A 69 -17.685 -1.630 -2.265 1.00 0.00 C ATOM 965 C PHE A 69 -16.871 -0.366 -2.521 1.00 0.00 C ATOM 966 O PHE A 69 -17.463 0.702 -2.623 1.00 0.00 O ATOM 967 CB PHE A 69 -18.005 -2.273 -3.621 1.00 0.00 C ATOM 968 CG PHE A 69 -16.891 -3.196 -4.056 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.650 -2.679 -4.457 1.00 0.00 C ATOM 970 CD2 PHE A 69 -17.140 -4.566 -4.191 1.00 0.00 C ATOM 971 CE1 PHE A 69 -14.662 -3.558 -4.911 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.301 -5.327 -5.018 1.00 0.00 C ATOM 973 CZ PHE A 69 -15.019 -4.853 -5.306 1.00 0.00 C ATOM 0 H PHE A 69 -19.773 -1.524 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.128 -2.334 -1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -18.939 -2.831 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -18.152 -1.496 -4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.460 -1.617 -4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -17.963 -5.029 -3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.631 -3.240 -4.957 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.642 -6.267 -5.427 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.310 -5.479 -5.828 1.00 0.00 H new ATOM 983 N LEU A 70 -15.582 -0.406 -2.188 1.00 0.00 N ATOM 984 CA LEU A 70 -14.753 0.783 -2.365 1.00 0.00 C ATOM 985 C LEU A 70 -13.871 0.567 -3.591 1.00 0.00 C ATOM 986 O LEU A 70 -12.832 -0.091 -3.533 1.00 0.00 O ATOM 987 CB LEU A 70 -13.918 0.998 -1.095 1.00 0.00 C ATOM 988 CG LEU A 70 -13.381 2.434 -0.971 1.00 0.00 C ATOM 989 CD1 LEU A 70 -12.562 2.830 -2.200 1.00 0.00 C ATOM 990 CD2 LEU A 70 -14.529 3.438 -0.809 1.00 0.00 C ATOM 0 H LEU A 70 -15.102 -1.221 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.359 1.675 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.527 0.766 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.081 0.300 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.743 2.457 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.197 3.850 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.715 2.152 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.189 2.771 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.122 4.445 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.185 3.384 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.097 3.199 0.090 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.272 1.228 -4.674 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.429 1.454 -5.844 1.00 0.00 C ATOM 1004 C VAL A 71 -13.601 2.907 -6.277 1.00 0.00 C ATOM 1005 O VAL A 71 -14.735 3.364 -6.400 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.852 0.503 -6.971 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -13.205 0.913 -8.298 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.449 -0.936 -6.628 1.00 0.00 C ATOM 0 H VAL A 71 -15.206 1.628 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.382 1.262 -5.609 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.935 0.561 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.518 0.225 -9.083 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.516 1.925 -8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.120 0.881 -8.199 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.754 -1.602 -7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.368 -0.991 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.938 -1.240 -5.702 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.522 3.637 -6.592 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.652 5.031 -7.107 1.00 0.00 C ATOM 1020 C PRO A 72 -13.402 5.112 -8.435 1.00 0.00 C ATOM 1021 O PRO A 72 -13.153 4.337 -9.356 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.213 5.531 -7.249 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.379 4.608 -6.424 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.115 3.268 -6.365 1.00 0.00 C ATOM 0 HA PRO A 72 -13.244 5.643 -6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.896 5.518 -8.292 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.120 6.559 -6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.390 4.485 -6.865 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.234 5.012 -5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.753 2.578 -7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.979 2.778 -5.401 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.165 6.187 -8.586 1.00 0.00 N ATOM 1033 CA GLY A 73 -14.869 6.464 -9.832 1.00 0.00 C ATOM 1034 C GLY A 73 -16.320 5.998 -9.769 1.00 0.00 C ATOM 1035 O GLY A 73 -17.110 6.370 -10.634 1.00 0.00 O ATOM 0 H GLY A 73 -14.313 6.885 -7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.838 7.534 -10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.361 5.965 -10.657 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.612 5.039 -8.885 1.00 0.00 N ATOM 1040 CA ILE A 74 -17.916 4.378 -8.925 1.00 0.00 C ATOM 1041 C ILE A 74 -18.888 4.879 -7.861 1.00 0.00 C ATOM 1042 O ILE A 74 -19.743 5.714 -8.151 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.732 2.862 -8.800 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -17.017 2.364 -10.056 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -19.097 2.179 -8.674 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.569 0.915 -9.870 1.00 0.00 C ATOM 0 H ILE A 74 -15.982 4.711 -8.153 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.363 4.628 -9.887 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.144 2.627 -7.913 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.683 2.439 -10.916 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.153 2.995 -10.266 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.958 1.102 -8.586 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.610 2.553 -7.788 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.696 2.396 -9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.061 0.573 -10.772 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -15.886 0.851 -9.023 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.439 0.286 -9.683 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.679 4.472 -6.609 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.498 4.989 -5.515 1.00 0.00 C ATOM 1060 C ASN A 75 -18.779 6.132 -4.824 1.00 0.00 C ATOM 1061 O ASN A 75 -19.374 6.889 -4.067 1.00 0.00 O ATOM 1062 CB ASN A 75 -19.738 3.900 -4.472 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.448 3.538 -3.732 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.348 3.799 -4.218 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -18.520 3.155 -2.487 1.00 0.00 N ATOM 0 H ASN A 75 -17.964 3.799 -6.331 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.445 5.327 -5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.487 4.239 -3.756 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.141 3.012 -4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -17.670 3.075 -1.928 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -19.426 2.936 -2.072 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.551 6.344 -5.262 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.644 7.234 -4.571 1.00 0.00 C ATOM 1074 C ALA A 76 -15.618 7.712 -5.581 1.00 0.00 C ATOM 1075 O ALA A 76 -15.188 6.937 -6.431 1.00 0.00 O ATOM 1076 CB ALA A 76 -15.937 6.481 -3.442 1.00 0.00 C ATOM 0 H ALA A 76 -17.160 5.908 -6.097 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.187 8.075 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.255 7.156 -2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.678 6.104 -2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.374 5.646 -3.859 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.099 8.911 -5.363 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.154 9.494 -6.308 1.00 0.00 C ATOM 1084 C ARG A 77 -12.904 9.967 -5.585 1.00 0.00 C ATOM 1085 O ARG A 77 -12.974 10.292 -4.399 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.798 10.644 -7.087 1.00 0.00 C ATOM 1087 CG ARG A 77 -13.912 11.006 -8.282 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.590 12.111 -9.097 1.00 0.00 C ATOM 1089 NE ARG A 77 -14.669 13.342 -8.314 1.00 0.00 N ATOM 1090 CZ ARG A 77 -15.295 14.418 -8.774 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -15.825 14.420 -9.965 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -15.448 15.458 -8.006 1.00 0.00 N ATOM 0 H ARG A 77 -15.311 9.493 -4.553 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.868 8.723 -7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.791 10.354 -7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.926 11.511 -6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.934 11.341 -7.936 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.746 10.128 -8.906 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.030 12.291 -10.015 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.591 11.794 -9.391 1.00 0.00 H new ATOM 0 HE ARG A 77 -14.233 13.375 -7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.761 13.589 -10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -16.304 15.252 -10.309 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.087 15.445 -7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.929 16.286 -8.358 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.752 9.714 -6.205 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.490 10.017 -5.546 1.00 0.00 C ATOM 1108 C VAL A 78 -9.673 10.956 -6.422 1.00 0.00 C ATOM 1109 O VAL A 78 -9.769 10.893 -7.643 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.712 8.729 -5.235 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.123 8.157 -6.528 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.582 9.012 -4.235 1.00 0.00 C ATOM 0 H VAL A 78 -11.669 9.311 -7.138 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.693 10.511 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.397 8.005 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.572 7.244 -6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.929 7.932 -7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.448 8.887 -6.975 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.041 8.089 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.897 9.746 -4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.005 9.402 -3.309 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.181 12.014 -5.788 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.230 12.908 -6.435 1.00 0.00 C ATOM 1124 C ARG A 79 -6.882 12.779 -5.744 1.00 0.00 C ATOM 1125 O ARG A 79 -6.817 12.709 -4.520 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.718 14.359 -6.353 1.00 0.00 C ATOM 1127 CG ARG A 79 -7.908 15.247 -7.300 1.00 0.00 C ATOM 1128 CD ARG A 79 -8.414 16.690 -7.212 1.00 0.00 C ATOM 1129 NE ARG A 79 -9.765 16.779 -7.763 1.00 0.00 N ATOM 1130 CZ ARG A 79 -10.432 17.925 -7.784 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -9.829 19.048 -7.512 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -11.697 17.938 -8.095 1.00 0.00 N ATOM 0 H ARG A 79 -9.424 12.272 -4.832 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.137 12.634 -7.486 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.776 14.409 -6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.623 14.724 -5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.851 15.205 -7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.998 14.881 -8.323 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.413 17.022 -6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.744 17.353 -7.760 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.205 15.940 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.836 19.050 -7.280 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.350 19.924 -7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.175 17.066 -8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.209 18.820 -8.111 1.00 0.00 H new ATOM 1146 N LEU A 80 -5.829 12.628 -6.538 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.502 12.416 -5.977 1.00 0.00 C ATOM 1148 C LEU A 80 -3.694 13.693 -6.151 1.00 0.00 C ATOM 1149 O LEU A 80 -3.727 14.306 -7.216 1.00 0.00 O ATOM 1150 CB LEU A 80 -3.825 11.273 -6.736 1.00 0.00 C ATOM 1151 CG LEU A 80 -4.685 10.005 -6.643 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -5.763 10.020 -7.734 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -3.811 8.766 -6.844 1.00 0.00 C ATOM 0 H LEU A 80 -5.866 12.648 -7.557 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.568 12.163 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.683 11.551 -7.780 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.836 11.084 -6.320 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.152 9.977 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.368 9.116 -7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.400 10.895 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.288 10.059 -8.714 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.429 7.870 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.340 8.809 -7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.041 8.735 -6.073 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.180 14.202 -5.039 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.429 15.451 -5.064 1.00 0.00 C ATOM 1167 C ARG A 81 -0.939 15.181 -4.941 1.00 0.00 C ATOM 1168 O ARG A 81 -0.503 14.518 -4.000 1.00 0.00 O ATOM 1169 CB ARG A 81 -2.900 16.389 -3.953 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.311 16.882 -4.273 1.00 0.00 C ATOM 1171 CD ARG A 81 -4.806 17.798 -3.153 1.00 0.00 C ATOM 1172 NE ARG A 81 -6.151 18.271 -3.466 1.00 0.00 N ATOM 1173 CZ ARG A 81 -6.876 18.972 -2.603 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -6.336 19.451 -1.521 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -8.043 19.407 -2.972 1.00 0.00 N ATOM 0 H ARG A 81 -3.268 13.775 -4.117 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.612 15.939 -6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.892 15.869 -2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.219 17.235 -3.862 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.312 17.419 -5.222 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.986 16.033 -4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.810 17.260 -2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.130 18.645 -3.036 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.548 18.055 -4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.347 19.289 -1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.901 19.989 -0.864 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.388 19.208 -3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.615 19.947 -2.323 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.164 15.866 -5.776 1.00 0.00 N ATOM 1190 CA GLN A 82 1.284 15.732 -5.721 1.00 0.00 C ATOM 1191 C GLN A 82 1.883 17.000 -5.128 1.00 0.00 C ATOM 1192 O GLN A 82 2.266 17.929 -5.838 1.00 0.00 O ATOM 1193 CB GLN A 82 1.837 15.462 -7.118 1.00 0.00 C ATOM 1194 CG GLN A 82 1.374 14.066 -7.542 1.00 0.00 C ATOM 1195 CD GLN A 82 1.825 13.756 -8.967 1.00 0.00 C ATOM 1196 OE1 GLN A 82 2.537 14.542 -9.589 1.00 0.00 O ATOM 1197 NE2 GLN A 82 1.419 12.658 -9.542 1.00 0.00 N ATOM 0 H GLN A 82 -0.509 16.510 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 82 1.554 14.888 -5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.480 16.213 -7.822 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.925 15.519 -7.116 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.778 13.320 -6.857 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.288 14.003 -7.477 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.828 12.003 -9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.692 12.455 -10.503 1.00 0.00 H new ATOM 1206 N LYS A 83 2.267 16.828 -3.873 1.00 0.00 N ATOM 1207 CA LYS A 83 3.098 17.761 -3.123 1.00 0.00 C ATOM 1208 C LYS A 83 4.154 16.886 -2.456 1.00 0.00 C ATOM 1209 O LYS A 83 4.101 15.668 -2.652 1.00 0.00 O ATOM 1210 CB LYS A 83 2.229 18.474 -2.080 1.00 0.00 C ATOM 1211 CG LYS A 83 1.203 19.364 -2.792 1.00 0.00 C ATOM 1212 CD LYS A 83 0.289 20.061 -1.776 1.00 0.00 C ATOM 1213 CE LYS A 83 -0.728 20.937 -2.515 1.00 0.00 C ATOM 1214 NZ LYS A 83 -1.638 21.616 -1.548 1.00 0.00 N ATOM 0 H LYS A 83 2.000 16.008 -3.329 1.00 0.00 H new ATOM 0 HA LYS A 83 3.555 18.532 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.719 17.742 -1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.854 19.077 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.719 20.110 -3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.603 18.761 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.229 19.319 -1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.883 20.671 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.206 21.682 -3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.311 20.325 -3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.320 22.205 -2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.150 20.901 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.079 22.216 -0.908 1.00 0.00 H new ATOM 1228 N ARG A 84 5.211 17.441 -1.860 1.00 0.00 N ATOM 1229 CA ARG A 84 6.019 16.520 -1.064 1.00 0.00 C ATOM 1230 C ARG A 84 5.295 16.410 0.277 1.00 0.00 C ATOM 1231 O ARG A 84 5.902 16.405 1.343 1.00 0.00 O ATOM 1232 CB ARG A 84 7.395 17.171 -0.869 1.00 0.00 C ATOM 1233 CG ARG A 84 8.389 16.257 -0.145 1.00 0.00 C ATOM 1234 CD ARG A 84 9.692 17.043 0.030 1.00 0.00 C ATOM 1235 NE ARG A 84 10.763 16.199 0.556 1.00 0.00 N ATOM 1236 CZ ARG A 84 11.880 16.723 1.050 1.00 0.00 C ATOM 1237 NH1 ARG A 84 11.957 17.993 1.321 1.00 0.00 N ATOM 1238 NH2 ARG A 84 12.882 15.946 1.348 1.00 0.00 N ATOM 0 H ARG A 84 5.506 18.416 -1.901 1.00 0.00 H new ATOM 0 HA ARG A 84 6.149 15.540 -1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.803 17.445 -1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.278 18.094 -0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.993 15.950 0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.564 15.348 -0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.996 17.462 -0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.524 17.882 0.706 1.00 0.00 H new ATOM 0 HE ARG A 84 10.651 15.185 0.544 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.154 18.600 1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.820 18.382 1.700 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.808 14.939 1.202 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.741 16.344 1.727 1.00 0.00 H new ATOM 1252 N MET A 85 4.059 15.933 0.165 1.00 0.00 N ATOM 1253 CA MET A 85 3.409 14.963 1.032 1.00 0.00 C ATOM 1254 C MET A 85 2.459 14.163 0.141 1.00 0.00 C ATOM 1255 O MET A 85 1.635 14.802 -0.514 1.00 0.00 O ATOM 1256 CB MET A 85 2.590 15.761 2.054 1.00 0.00 C ATOM 1257 CG MET A 85 3.071 15.515 3.485 1.00 0.00 C ATOM 1258 SD MET A 85 4.565 16.491 3.799 1.00 0.00 S ATOM 1259 CE MET A 85 4.836 15.989 5.518 1.00 0.00 C ATOM 0 H MET A 85 3.444 16.238 -0.589 1.00 0.00 H new ATOM 0 HA MET A 85 4.112 14.304 1.541 1.00 0.00 H new ATOM 0 HB2 MET A 85 2.660 16.824 1.825 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.539 15.486 1.972 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.290 15.788 4.194 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.279 14.455 3.633 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.724 16.487 5.907 1.00 0.00 H new ATOM 0 HE2 MET A 85 3.971 16.269 6.119 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.976 14.909 5.564 1.00 0.00 H new ATOM 1269 N PRO A 86 2.593 12.843 -0.076 1.00 0.00 N ATOM 1270 CA PRO A 86 1.548 12.151 -0.882 1.00 0.00 C ATOM 1271 C PRO A 86 0.191 12.246 -0.189 1.00 0.00 C ATOM 1272 O PRO A 86 0.058 11.852 0.970 1.00 0.00 O ATOM 1273 CB PRO A 86 2.049 10.709 -0.997 1.00 0.00 C ATOM 1274 CG PRO A 86 3.511 10.749 -0.696 1.00 0.00 C ATOM 1275 CD PRO A 86 3.797 12.021 0.106 1.00 0.00 C ATOM 0 HA PRO A 86 1.399 12.595 -1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.525 10.058 -0.297 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.868 10.313 -1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.807 9.867 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.090 10.743 -1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.970 11.797 1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.687 12.532 -0.262 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.850 12.508 -0.974 1.00 0.00 N ATOM 1284 CA HIS A 87 -2.205 12.584 -0.438 1.00 0.00 C ATOM 1285 C HIS A 87 -3.218 12.163 -1.496 1.00 0.00 C ATOM 1286 O HIS A 87 -3.160 12.642 -2.629 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.489 14.002 0.062 1.00 0.00 C ATOM 1288 CG HIS A 87 -1.855 14.196 1.413 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -0.497 14.407 1.584 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -2.345 14.002 2.679 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -0.194 13.979 2.819 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -1.285 13.940 3.581 1.00 0.00 N ATOM 0 H HIS A 87 -0.782 12.671 -1.979 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.295 11.898 0.404 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.096 14.733 -0.644 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.564 14.167 0.126 1.00 0.00 H new ATOM 0 HD1 HIS A 87 0.147 14.809 0.903 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -3.390 13.911 2.937 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.797 13.704 3.149 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.276 11.500 -1.045 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.466 11.308 -1.866 1.00 0.00 C ATOM 1303 C ILE A 88 -6.722 11.718 -1.098 1.00 0.00 C ATOM 1304 O ILE A 88 -6.738 11.654 0.131 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.570 9.855 -2.334 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.689 8.919 -1.127 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.312 9.505 -3.134 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -6.023 7.502 -1.600 1.00 0.00 C ATOM 0 H ILE A 88 -4.335 11.086 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.380 11.945 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.456 9.735 -2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.755 8.914 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.465 9.279 -0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.373 8.471 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.234 10.167 -3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.433 9.628 -2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.106 6.841 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.969 7.513 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.232 7.142 -2.258 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.704 12.274 -1.805 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.966 12.652 -1.174 1.00 0.00 C ATOM 1322 C VAL A 89 -10.107 11.823 -1.747 1.00 0.00 C ATOM 1323 O VAL A 89 -10.360 11.856 -2.946 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.268 14.145 -1.378 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.338 15.006 -0.519 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.071 14.558 -2.841 1.00 0.00 C ATOM 0 H VAL A 89 -7.651 12.471 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.873 12.461 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.307 14.301 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.568 16.060 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.481 14.758 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.302 14.814 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.292 15.619 -2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.039 14.370 -3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.741 13.979 -3.476 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.899 11.243 -0.847 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.918 10.277 -1.236 1.00 0.00 C ATOM 1338 C VAL A 90 -13.281 10.760 -0.745 1.00 0.00 C ATOM 1339 O VAL A 90 -13.498 10.792 0.466 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.593 8.913 -0.613 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.778 7.953 -0.762 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.365 8.311 -1.297 1.00 0.00 C ATOM 0 H VAL A 90 -10.853 11.427 0.155 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.938 10.178 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.390 9.059 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.526 6.992 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.650 8.371 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.002 7.812 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.138 7.343 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.567 8.182 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.513 8.978 -1.168 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.264 10.749 -1.642 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.633 11.105 -1.282 1.00 0.00 C ATOM 1354 C LYS A 91 -16.566 9.987 -1.730 1.00 0.00 C ATOM 1355 O LYS A 91 -16.645 9.725 -2.927 1.00 0.00 O ATOM 1356 CB LYS A 91 -16.119 12.425 -1.907 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.501 12.759 -3.273 1.00 0.00 C ATOM 1358 CD LYS A 91 -14.018 13.126 -3.150 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.464 13.482 -4.529 1.00 0.00 C ATOM 1360 NZ LYS A 91 -12.028 13.866 -4.406 1.00 0.00 N ATOM 0 H LYS A 91 -14.138 10.498 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.644 11.242 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.203 12.382 -2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.900 13.239 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.610 11.904 -3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.045 13.588 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.896 13.968 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.460 12.291 -2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.567 12.633 -5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.035 14.304 -4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.625 14.010 -5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.950 14.747 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.507 13.109 -3.919 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.515 9.623 -0.872 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.530 8.653 -1.272 1.00 0.00 C ATOM 1376 C CYS A 92 -19.819 9.370 -1.651 1.00 0.00 C ATOM 1377 O CYS A 92 -20.238 10.313 -0.978 1.00 0.00 O ATOM 1378 CB CYS A 92 -18.882 7.698 -0.138 1.00 0.00 C ATOM 1379 SG CYS A 92 -17.574 7.608 1.113 1.00 0.00 S ATOM 0 H CYS A 92 -17.603 9.974 0.081 1.00 0.00 H new ATOM 0 HA CYS A 92 -18.113 8.098 -2.112 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -19.810 8.022 0.332 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -19.061 6.703 -0.546 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.466 8.888 -2.703 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.841 9.277 -2.986 1.00 0.00 C ATOM 1386 C LEU A 93 -22.817 8.833 -1.893 1.00 0.00 C ATOM 1387 O LEU A 93 -23.733 9.577 -1.555 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.228 8.660 -4.330 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.422 9.352 -5.436 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.592 8.599 -6.755 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.865 10.806 -5.628 1.00 0.00 C ATOM 0 H LEU A 93 -20.064 8.231 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.901 10.365 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.025 7.589 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.296 8.781 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.375 9.346 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -21.016 9.097 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.235 7.576 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.646 8.586 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -21.273 11.265 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.920 10.832 -5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.718 11.357 -4.699 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.667 7.602 -1.399 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.593 7.052 -0.405 1.00 0.00 C ATOM 1405 C GLU A 94 -23.448 7.750 0.943 1.00 0.00 C ATOM 1406 O GLU A 94 -24.443 8.070 1.598 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.372 5.550 -0.182 1.00 0.00 C ATOM 1408 CG GLU A 94 -23.149 4.833 -1.515 1.00 0.00 C ATOM 1409 CD GLU A 94 -21.652 4.683 -1.771 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -20.977 5.696 -1.866 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -21.168 3.596 -1.515 1.00 0.00 O ATOM 0 H GLU A 94 -21.915 6.968 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.592 7.219 -0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.510 5.397 0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -24.235 5.122 0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.625 3.853 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.612 5.397 -2.325 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.198 7.995 1.342 1.00 0.00 N ATOM 1419 CA CYS A 95 -21.925 8.710 2.584 1.00 0.00 C ATOM 1420 C CYS A 95 -22.196 10.194 2.390 1.00 0.00 C ATOM 1421 O CYS A 95 -22.894 10.799 3.200 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.464 8.543 3.020 1.00 0.00 C ATOM 1423 SG CYS A 95 -20.190 6.911 3.757 1.00 0.00 S ATOM 0 H CYS A 95 -21.366 7.710 0.825 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.575 8.293 3.353 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -19.807 8.673 2.160 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.204 9.319 3.740 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.903 10.672 1.182 1.00 0.00 N ATOM 1429 CA GLY A 96 -22.032 12.095 0.872 1.00 0.00 C ATOM 1430 C GLY A 96 -20.834 12.882 1.394 1.00 0.00 C ATOM 1431 O GLY A 96 -20.743 14.090 1.181 1.00 0.00 O ATOM 0 H GLY A 96 -21.576 10.098 0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -22.117 12.229 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.948 12.485 1.315 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.830 12.150 1.871 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.773 12.718 2.701 1.00 0.00 C ATOM 1437 C HIS A 97 -17.392 12.508 2.097 1.00 0.00 C ATOM 1438 O HIS A 97 -17.113 11.481 1.481 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.825 12.151 4.119 1.00 0.00 C ATOM 1440 CG HIS A 97 -20.100 12.608 4.770 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -21.151 11.932 5.332 1.00 0.00 N flip ATOM 1442 CD2 HIS A 97 -20.295 13.931 5.127 1.00 0.00 C flip ATOM 1443 CE1 HIS A 97 -22.147 12.848 5.652 1.00 0.00 C flip ATOM 1444 NE2 HIS A 97 -21.510 14.020 5.690 1.00 0.00 N flip ATOM 0 H HIS A 97 -19.727 11.151 1.694 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.951 13.792 2.746 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.782 11.062 4.093 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.964 12.490 4.694 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -19.598 14.742 4.980 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -23.195 12.655 5.829 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -21.896 14.873 6.095 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.523 13.471 2.382 1.00 0.00 N ATOM 1454 CA ILE A 98 -15.129 13.427 1.957 1.00 0.00 C ATOM 1455 C ILE A 98 -14.224 12.998 3.106 1.00 0.00 C ATOM 1456 O ILE A 98 -14.479 13.326 4.262 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.722 14.808 1.420 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -13.252 14.828 0.975 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.934 15.876 2.499 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.982 13.830 -0.152 1.00 0.00 C ATOM 0 H ILE A 98 -16.766 14.306 2.915 1.00 0.00 H new ATOM 0 HA ILE A 98 -15.018 12.688 1.163 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.349 15.022 0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.987 15.832 0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.612 14.596 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.643 16.851 2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.985 15.900 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.325 15.638 3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.931 13.877 -0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.221 12.823 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.602 14.078 -1.014 1.00 0.00 H new ATOM 1472 N MET A 99 -13.401 11.999 2.807 1.00 0.00 N ATOM 1473 CA MET A 99 -12.326 11.588 3.702 1.00 0.00 C ATOM 1474 C MET A 99 -10.987 11.692 2.985 1.00 0.00 C ATOM 1475 O MET A 99 -10.900 11.403 1.793 1.00 0.00 O ATOM 1476 CB MET A 99 -12.545 10.137 4.133 1.00 0.00 C ATOM 1477 CG MET A 99 -13.799 10.040 5.006 1.00 0.00 C ATOM 1478 SD MET A 99 -14.031 8.331 5.557 1.00 0.00 S ATOM 1479 CE MET A 99 -14.583 7.617 3.987 1.00 0.00 C ATOM 0 H MET A 99 -13.459 11.456 1.946 1.00 0.00 H new ATOM 0 HA MET A 99 -12.325 12.239 4.576 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.651 9.499 3.255 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.677 9.777 4.686 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.705 10.700 5.868 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.672 10.372 4.444 1.00 0.00 H new ATOM 0 HE1 MET A 99 -15.542 7.119 4.131 1.00 0.00 H new ATOM 0 HE2 MET A 99 -14.693 8.409 3.246 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.847 6.893 3.638 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.948 12.027 3.744 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.590 12.096 3.208 1.00 0.00 C ATOM 1491 C ARG A 100 -7.793 10.873 3.644 1.00 0.00 C ATOM 1492 O ARG A 100 -7.814 10.503 4.817 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.904 13.368 3.714 1.00 0.00 C ATOM 1494 CG ARG A 100 -8.631 14.595 3.153 1.00 0.00 C ATOM 1495 CD ARG A 100 -7.968 15.877 3.674 1.00 0.00 C ATOM 1496 NE ARG A 100 -8.157 15.988 5.118 1.00 0.00 N ATOM 1497 CZ ARG A 100 -9.271 16.491 5.641 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -10.331 16.684 4.906 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -9.370 16.611 6.932 1.00 0.00 N ATOM 0 H ARG A 100 -10.020 12.256 4.735 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.637 12.117 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.915 13.392 4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.859 13.378 3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.604 14.578 2.063 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.681 14.573 3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.904 15.867 3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.397 16.746 3.175 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.415 15.671 5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.313 16.448 3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.177 17.071 5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.598 16.321 7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.220 16.996 7.345 1.00 0.00 H new ATOM 1513 N TYR A 101 -7.070 10.275 2.700 1.00 0.00 N ATOM 1514 CA TYR A 101 -6.109 9.233 3.040 1.00 0.00 C ATOM 1515 C TYR A 101 -4.693 9.736 2.768 1.00 0.00 C ATOM 1516 O TYR A 101 -4.291 9.849 1.610 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.397 7.972 2.212 1.00 0.00 C ATOM 1518 CG TYR A 101 -7.191 6.970 3.023 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -8.360 7.364 3.694 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -6.867 5.608 2.953 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -9.050 6.443 4.494 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -7.559 4.687 3.751 1.00 0.00 C ATOM 1523 CZ TYR A 101 -8.713 5.088 4.430 1.00 0.00 C ATOM 1524 OH TYR A 101 -9.565 4.137 4.947 1.00 0.00 O ATOM 0 H TYR A 101 -7.131 10.492 1.705 1.00 0.00 H new ATOM 0 HA TYR A 101 -6.199 8.985 4.098 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.951 8.240 1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.459 7.522 1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -8.727 8.375 3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.087 5.270 2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -9.836 6.778 5.155 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.202 3.672 3.841 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.178 3.246 4.818 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.976 10.206 3.813 1.00 0.00 N ATOM 1535 CA PRO A 102 -2.530 10.532 3.683 1.00 0.00 C ATOM 1536 C PRO A 102 -1.689 9.296 3.367 1.00 0.00 C ATOM 1537 O PRO A 102 -1.878 8.245 3.978 1.00 0.00 O ATOM 1538 CB PRO A 102 -2.180 11.145 5.041 1.00 0.00 C ATOM 1539 CG PRO A 102 -3.124 10.533 6.019 1.00 0.00 C ATOM 1540 CD PRO A 102 -4.381 10.155 5.231 1.00 0.00 C ATOM 0 HA PRO A 102 -2.322 11.209 2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.145 10.933 5.311 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.288 12.229 5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.681 9.654 6.488 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.363 11.234 6.818 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.734 9.161 5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.197 10.849 5.433 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.671 9.478 2.526 1.00 0.00 N ATOM 1549 CA TYR A 103 0.464 8.559 2.452 1.00 0.00 C ATOM 1550 C TYR A 103 1.794 9.297 2.594 1.00 0.00 C ATOM 1551 O TYR A 103 1.921 10.441 2.161 1.00 0.00 O ATOM 1552 CB TYR A 103 0.421 7.768 1.140 1.00 0.00 C ATOM 1553 CG TYR A 103 -0.810 6.891 1.125 1.00 0.00 C ATOM 1554 CD1 TYR A 103 -2.045 7.403 0.701 1.00 0.00 C ATOM 1555 CD2 TYR A 103 -0.765 5.644 1.755 1.00 0.00 C ATOM 1556 CE1 TYR A 103 -3.161 6.559 0.649 1.00 0.00 C ATOM 1557 CE2 TYR A 103 -1.879 4.808 1.716 1.00 0.00 C ATOM 1558 CZ TYR A 103 -3.069 5.250 1.131 1.00 0.00 C ATOM 1559 OH TYR A 103 -4.158 4.403 1.056 1.00 0.00 O ATOM 0 H TYR A 103 -0.610 10.264 1.879 1.00 0.00 H new ATOM 0 HA TYR A 103 0.386 7.862 3.286 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.405 8.451 0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.318 7.157 1.041 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.135 8.441 0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.130 5.330 2.270 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -4.092 6.919 0.237 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.823 3.816 2.139 1.00 0.00 H new ATOM 0 HH TYR A 103 -3.921 3.531 1.435 1.00 0.00 H new ATOM 1569 N ILE A 104 2.739 8.670 3.293 1.00 0.00 N ATOM 1570 CA ILE A 104 4.084 9.223 3.453 1.00 0.00 C ATOM 1571 C ILE A 104 5.131 8.302 2.833 1.00 0.00 C ATOM 1572 O ILE A 104 5.061 7.081 2.985 1.00 0.00 O ATOM 1573 CB ILE A 104 4.399 9.453 4.937 1.00 0.00 C ATOM 1574 CG1 ILE A 104 3.432 10.502 5.503 1.00 0.00 C ATOM 1575 CG2 ILE A 104 5.847 9.933 5.093 1.00 0.00 C ATOM 1576 CD1 ILE A 104 3.540 10.549 7.029 1.00 0.00 C ATOM 0 H ILE A 104 2.597 7.774 3.760 1.00 0.00 H new ATOM 0 HA ILE A 104 4.116 10.180 2.933 1.00 0.00 H new ATOM 0 HB ILE A 104 4.279 8.519 5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.661 11.482 5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.410 10.261 5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.065 10.095 6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.525 9.179 4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.981 10.867 4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.850 11.297 7.420 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.289 9.572 7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.559 10.812 7.314 1.00 0.00 H new ATOM 1588 N LYS A 105 5.991 8.900 2.012 1.00 0.00 N ATOM 1589 CA LYS A 105 6.995 8.157 1.254 1.00 0.00 C ATOM 1590 C LYS A 105 8.375 8.285 1.897 1.00 0.00 C ATOM 1591 O LYS A 105 9.297 7.654 1.406 1.00 0.00 O ATOM 1592 CB LYS A 105 7.021 8.686 -0.186 1.00 0.00 C ATOM 1593 CG LYS A 105 7.239 7.532 -1.168 1.00 0.00 C ATOM 1594 CD LYS A 105 7.099 8.056 -2.600 1.00 0.00 C ATOM 1595 CE LYS A 105 7.323 6.907 -3.590 1.00 0.00 C ATOM 1596 NZ LYS A 105 7.170 7.432 -4.978 1.00 0.00 N ATOM 0 H LYS A 105 6.012 9.907 1.854 1.00 0.00 H new ATOM 0 HA LYS A 105 6.732 7.099 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.083 9.193 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.817 9.423 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.228 7.097 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.512 6.741 -0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.109 8.487 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.823 8.851 -2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.317 6.481 -3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.606 6.107 -3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.320 6.661 -5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.213 7.820 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.871 8.182 -5.145 1.00 0.00 H new TER 1610 LYS A 105 HETATM 1611 ZN ZN A 124 -18.588 5.981 2.381 1.00 0.00 ZN