USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 674 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 46 CYS SG : rot 63:sc= 0.363 USER MOD Set 1.2: A 48 THR OG1 : rot 100:sc= 1.04 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -6.24! C(o=-6.2!,f=-8!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 24 GLN : amide:sc=-0.00921 X(o=-0.0092,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.86! C(o=-2.9!,f=-7.5!) USER MOD Single : A 33 TYR OH : rot 150:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc=-0.00465 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.78 K(o=-1.8,f=-5.7!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -5.5! C(o=-5.5!,f=-9.3!) USER MOD Single : A 47 ASN : amide:sc= -0.0273 K(o=-0.027,f=-1) USER MOD Single : A 50 LYS NZ :NH3+ -123:sc= 1.31 (180deg=-1.86!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= -0.026 (180deg=-0.234) USER MOD Single : A 60 GLN : amide:sc= -0.271 K(o=-0.27,f=-0.94) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.165 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 77 MET CE :methyl 148:sc= -0.153 (180deg=-1.05) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot -140:sc= -1.19 USER MOD Single : A 85 LYS NZ :NH3+ -129:sc= -0.828 (180deg=-2.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -9.882 17.282 -9.424 1.00 0.00 N ATOM 67 CA LEU A 8 -9.129 16.068 -9.131 1.00 0.00 C ATOM 68 C LEU A 8 -9.209 15.722 -7.647 1.00 0.00 C ATOM 69 O LEU A 8 -9.364 14.559 -7.278 1.00 0.00 O ATOM 70 CB LEU A 8 -7.667 16.237 -9.549 1.00 0.00 C ATOM 71 CG LEU A 8 -6.929 14.957 -9.940 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.169 13.865 -8.908 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.362 14.492 -11.322 1.00 0.00 C ATOM 0 HA LEU A 8 -9.571 15.250 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.628 16.927 -10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.127 16.707 -8.727 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.861 15.172 -9.969 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.636 12.962 -9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.807 14.198 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.236 13.652 -8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.826 13.580 -11.583 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.434 14.295 -11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.137 15.268 -12.054 1.00 0.00 H new ATOM 85 N ALA A 9 -9.104 16.742 -6.801 1.00 0.00 N ATOM 86 CA ALA A 9 -9.168 16.546 -5.358 1.00 0.00 C ATOM 87 C ALA A 9 -10.420 15.770 -4.964 1.00 0.00 C ATOM 88 O ALA A 9 -10.333 14.675 -4.410 1.00 0.00 O ATOM 89 CB ALA A 9 -9.130 17.888 -4.641 1.00 0.00 C ATOM 0 H ALA A 9 -8.974 17.712 -7.090 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.299 15.960 -5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.179 17.727 -3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.204 18.407 -4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.980 18.493 -4.956 1.00 0.00 H new ATOM 95 N GLU A 10 -11.583 16.344 -5.255 1.00 0.00 N ATOM 96 CA GLU A 10 -12.853 15.705 -4.929 1.00 0.00 C ATOM 97 C GLU A 10 -12.755 14.190 -5.086 1.00 0.00 C ATOM 98 O GLU A 10 -12.990 13.440 -4.138 1.00 0.00 O ATOM 99 CB GLU A 10 -13.968 16.250 -5.824 1.00 0.00 C ATOM 100 CG GLU A 10 -14.040 17.768 -5.851 1.00 0.00 C ATOM 101 CD GLU A 10 -14.174 18.370 -4.465 1.00 0.00 C ATOM 102 OE1 GLU A 10 -14.928 17.808 -3.644 1.00 0.00 O ATOM 103 OE2 GLU A 10 -13.524 19.404 -4.203 1.00 0.00 O ATOM 0 H GLU A 10 -11.672 17.250 -5.716 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.088 15.931 -3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.819 15.884 -6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.924 15.855 -5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.143 18.162 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.889 18.077 -6.461 1.00 0.00 H new ATOM 110 N LEU A 11 -12.407 13.747 -6.289 1.00 0.00 N ATOM 111 CA LEU A 11 -12.278 12.322 -6.572 1.00 0.00 C ATOM 112 C LEU A 11 -11.351 11.649 -5.565 1.00 0.00 C ATOM 113 O LEU A 11 -11.727 10.674 -4.914 1.00 0.00 O ATOM 114 CB LEU A 11 -11.750 12.109 -7.991 1.00 0.00 C ATOM 115 CG LEU A 11 -12.713 12.461 -9.126 1.00 0.00 C ATOM 116 CD1 LEU A 11 -14.136 12.072 -8.757 1.00 0.00 C ATOM 117 CD2 LEU A 11 -12.631 13.944 -9.454 1.00 0.00 C ATOM 0 H LEU A 11 -12.209 14.354 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.266 11.869 -6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.844 12.703 -8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.462 11.063 -8.097 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.422 11.897 -10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.808 12.330 -9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.184 10.999 -8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.438 12.608 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.323 14.176 -10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.896 14.527 -8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.615 14.193 -9.762 1.00 0.00 H new ATOM 129 N PHE A 12 -10.137 12.177 -5.441 1.00 0.00 N ATOM 130 CA PHE A 12 -9.156 11.628 -4.513 1.00 0.00 C ATOM 131 C PHE A 12 -9.817 11.223 -3.199 1.00 0.00 C ATOM 132 O PHE A 12 -9.362 10.302 -2.521 1.00 0.00 O ATOM 133 CB PHE A 12 -8.048 12.649 -4.247 1.00 0.00 C ATOM 134 CG PHE A 12 -7.001 12.161 -3.287 1.00 0.00 C ATOM 135 CD1 PHE A 12 -6.029 11.263 -3.698 1.00 0.00 C ATOM 136 CD2 PHE A 12 -6.990 12.598 -1.972 1.00 0.00 C ATOM 137 CE1 PHE A 12 -5.064 10.812 -2.817 1.00 0.00 C ATOM 138 CE2 PHE A 12 -6.027 12.151 -1.087 1.00 0.00 C ATOM 139 CZ PHE A 12 -5.064 11.256 -1.510 1.00 0.00 C ATOM 0 H PHE A 12 -9.810 12.984 -5.972 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.720 10.739 -4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.570 12.909 -5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.494 13.562 -3.853 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.025 10.911 -4.719 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.742 13.296 -1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.311 10.113 -3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.028 12.501 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.312 10.904 -0.819 1.00 0.00 H new ATOM 149 N GLU A 13 -10.893 11.920 -2.845 1.00 0.00 N ATOM 150 CA GLU A 13 -11.616 11.635 -1.612 1.00 0.00 C ATOM 151 C GLU A 13 -12.448 10.363 -1.750 1.00 0.00 C ATOM 152 O GLU A 13 -12.396 9.477 -0.898 1.00 0.00 O ATOM 153 CB GLU A 13 -12.520 12.812 -1.240 1.00 0.00 C ATOM 154 CG GLU A 13 -11.788 14.140 -1.159 1.00 0.00 C ATOM 155 CD GLU A 13 -12.444 15.110 -0.195 1.00 0.00 C ATOM 156 OE1 GLU A 13 -13.667 15.332 -0.318 1.00 0.00 O ATOM 157 OE2 GLU A 13 -11.735 15.647 0.681 1.00 0.00 O ATOM 0 H GLU A 13 -11.282 12.686 -3.395 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.884 11.485 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.320 12.892 -1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.991 12.607 -0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.758 13.965 -0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.749 14.590 -2.151 1.00 0.00 H new ATOM 164 N LYS A 14 -13.217 10.282 -2.831 1.00 0.00 N ATOM 165 CA LYS A 14 -14.061 9.120 -3.084 1.00 0.00 C ATOM 166 C LYS A 14 -13.214 7.886 -3.378 1.00 0.00 C ATOM 167 O LYS A 14 -13.363 6.851 -2.729 1.00 0.00 O ATOM 168 CB LYS A 14 -15.004 9.395 -4.258 1.00 0.00 C ATOM 169 CG LYS A 14 -16.161 10.314 -3.906 1.00 0.00 C ATOM 170 CD LYS A 14 -15.829 11.767 -4.201 1.00 0.00 C ATOM 171 CE LYS A 14 -16.282 12.169 -5.596 1.00 0.00 C ATOM 172 NZ LYS A 14 -17.669 12.711 -5.595 1.00 0.00 N ATOM 0 H LYS A 14 -13.273 11.007 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.651 8.929 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.434 9.838 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.401 8.448 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.045 10.020 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -16.406 10.203 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.309 12.408 -3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.754 11.922 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.600 12.918 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.231 11.304 -6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.940 12.973 -6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.324 11.987 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.713 13.551 -4.984 1.00 0.00 H new ATOM 186 N ALA A 15 -12.324 8.004 -4.357 1.00 0.00 N ATOM 187 CA ALA A 15 -11.451 6.899 -4.734 1.00 0.00 C ATOM 188 C ALA A 15 -10.852 6.228 -3.502 1.00 0.00 C ATOM 189 O ALA A 15 -10.896 5.006 -3.365 1.00 0.00 O ATOM 190 CB ALA A 15 -10.347 7.389 -5.659 1.00 0.00 C ATOM 0 H ALA A 15 -12.188 8.854 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.051 6.159 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.703 6.553 -5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.789 7.815 -6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.756 8.150 -5.149 1.00 0.00 H new ATOM 196 N ALA A 16 -10.291 7.036 -2.608 1.00 0.00 N ATOM 197 CA ALA A 16 -9.684 6.521 -1.387 1.00 0.00 C ATOM 198 C ALA A 16 -10.603 5.516 -0.699 1.00 0.00 C ATOM 199 O ALA A 16 -10.178 4.419 -0.339 1.00 0.00 O ATOM 200 CB ALA A 16 -9.348 7.665 -0.441 1.00 0.00 C ATOM 0 H ALA A 16 -10.244 8.050 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.763 6.006 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.895 7.266 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.648 8.345 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.260 8.205 -0.185 1.00 0.00 H new ATOM 206 N ALA A 17 -11.862 5.899 -0.520 1.00 0.00 N ATOM 207 CA ALA A 17 -12.841 5.031 0.124 1.00 0.00 C ATOM 208 C ALA A 17 -12.970 3.705 -0.618 1.00 0.00 C ATOM 209 O ALA A 17 -13.226 2.665 -0.011 1.00 0.00 O ATOM 210 CB ALA A 17 -14.191 5.727 0.205 1.00 0.00 C ATOM 0 H ALA A 17 -12.229 6.805 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.493 4.819 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.912 5.067 0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.093 6.645 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.537 5.969 -0.800 1.00 0.00 H new ATOM 216 N HIS A 18 -12.792 3.750 -1.935 1.00 0.00 N ATOM 217 CA HIS A 18 -12.889 2.551 -2.760 1.00 0.00 C ATOM 218 C HIS A 18 -11.706 1.621 -2.509 1.00 0.00 C ATOM 219 O HIS A 18 -11.844 0.398 -2.553 1.00 0.00 O ATOM 220 CB HIS A 18 -12.949 2.929 -4.241 1.00 0.00 C ATOM 221 CG HIS A 18 -13.718 1.952 -5.077 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.895 1.367 -4.660 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.473 1.461 -6.314 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.339 0.556 -5.603 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.494 0.595 -6.618 1.00 0.00 N ATOM 0 H HIS A 18 -12.580 4.603 -2.453 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.805 2.027 -2.488 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.404 3.915 -4.338 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.933 3.007 -4.629 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -15.351 1.534 -3.763 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.631 1.705 -6.945 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.240 -0.038 -5.553 1.00 0.00 H new ATOM 234 N LEU A 19 -10.543 2.208 -2.246 1.00 0.00 N ATOM 235 CA LEU A 19 -9.335 1.432 -1.988 1.00 0.00 C ATOM 236 C LEU A 19 -9.633 0.249 -1.072 1.00 0.00 C ATOM 237 O LEU A 19 -9.323 -0.896 -1.401 1.00 0.00 O ATOM 238 CB LEU A 19 -8.260 2.320 -1.359 1.00 0.00 C ATOM 239 CG LEU A 19 -6.811 1.950 -1.682 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.850 2.787 -0.854 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.574 0.466 -1.440 1.00 0.00 C ATOM 0 H LEU A 19 -10.411 3.219 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.969 1.048 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.432 3.347 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.387 2.299 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.628 2.160 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.824 2.510 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.003 3.843 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.033 2.609 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.538 0.220 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.775 0.231 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.239 -0.117 -2.077 1.00 0.00 H new ATOM 253 N GLN A 20 -10.238 0.534 0.077 1.00 0.00 N ATOM 254 CA GLN A 20 -10.579 -0.507 1.039 1.00 0.00 C ATOM 255 C GLN A 20 -11.405 -1.607 0.381 1.00 0.00 C ATOM 256 O GLN A 20 -11.337 -2.770 0.777 1.00 0.00 O ATOM 257 CB GLN A 20 -11.350 0.091 2.217 1.00 0.00 C ATOM 258 CG GLN A 20 -10.583 1.172 2.961 1.00 0.00 C ATOM 259 CD GLN A 20 -9.719 0.614 4.075 1.00 0.00 C ATOM 260 OE1 GLN A 20 -10.210 -0.075 4.970 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.426 0.909 4.026 1.00 0.00 N ATOM 0 H GLN A 20 -10.502 1.477 0.364 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.651 -0.945 1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.288 0.509 1.852 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.607 -0.706 2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.954 1.716 2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.288 1.890 3.379 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.062 1.483 3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.796 0.561 4.749 1.00 0.00 H new ATOM 270 N GLY A 21 -12.187 -1.231 -0.627 1.00 0.00 N ATOM 271 CA GLY A 21 -13.016 -2.197 -1.323 1.00 0.00 C ATOM 272 C GLY A 21 -12.283 -2.873 -2.465 1.00 0.00 C ATOM 273 O GLY A 21 -12.746 -3.883 -2.999 1.00 0.00 O ATOM 0 H GLY A 21 -12.261 -0.275 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.358 -2.953 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.904 -1.697 -1.710 1.00 0.00 H new ATOM 277 N LEU A 22 -11.137 -2.317 -2.843 1.00 0.00 N ATOM 278 CA LEU A 22 -10.339 -2.872 -3.930 1.00 0.00 C ATOM 279 C LEU A 22 -9.078 -3.542 -3.393 1.00 0.00 C ATOM 280 O LEU A 22 -8.129 -3.787 -4.138 1.00 0.00 O ATOM 281 CB LEU A 22 -9.962 -1.772 -4.925 1.00 0.00 C ATOM 282 CG LEU A 22 -11.113 -0.903 -5.433 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.603 0.133 -6.422 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.192 -1.766 -6.070 1.00 0.00 C ATOM 0 H LEU A 22 -10.740 -1.482 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.939 -3.625 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.223 -1.123 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.478 -2.237 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.550 -0.379 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.436 0.742 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.867 0.771 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.140 -0.371 -7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.003 -1.131 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.768 -2.318 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.579 -2.469 -5.332 1.00 0.00 H new ATOM 296 N ILE A 23 -9.077 -3.836 -2.098 1.00 0.00 N ATOM 297 CA ILE A 23 -7.934 -4.481 -1.463 1.00 0.00 C ATOM 298 C ILE A 23 -7.746 -5.902 -1.983 1.00 0.00 C ATOM 299 O ILE A 23 -6.622 -6.338 -2.231 1.00 0.00 O ATOM 300 CB ILE A 23 -8.091 -4.523 0.069 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.364 -3.120 0.614 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.847 -5.116 0.713 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.181 -2.185 0.493 1.00 0.00 C ATOM 0 H ILE A 23 -9.854 -3.638 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.056 -3.886 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.941 -5.159 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.212 -2.691 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.651 -3.196 1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.973 -5.139 1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.695 -6.130 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.980 -4.504 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.446 -1.209 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.337 -2.592 1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.907 -2.079 -0.557 1.00 0.00 H new ATOM 315 N GLN A 24 -8.854 -6.618 -2.146 1.00 0.00 N ATOM 316 CA GLN A 24 -8.810 -7.990 -2.638 1.00 0.00 C ATOM 317 C GLN A 24 -8.306 -8.037 -4.077 1.00 0.00 C ATOM 318 O GLN A 24 -7.873 -9.083 -4.560 1.00 0.00 O ATOM 319 CB GLN A 24 -10.196 -8.631 -2.549 1.00 0.00 C ATOM 320 CG GLN A 24 -10.866 -8.447 -1.197 1.00 0.00 C ATOM 321 CD GLN A 24 -12.301 -8.936 -1.186 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.640 -9.886 -0.479 1.00 0.00 O ATOM 323 NE2 GLN A 24 -13.154 -8.288 -1.971 1.00 0.00 N ATOM 0 H GLN A 24 -9.792 -6.271 -1.945 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.117 -8.552 -2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.835 -8.205 -3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.108 -9.697 -2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.297 -8.984 -0.438 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.844 -7.392 -0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.830 -7.506 -2.540 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.133 -8.572 -2.005 1.00 0.00 H new ATOM 332 N VAL A 25 -8.366 -6.897 -4.757 1.00 0.00 N ATOM 333 CA VAL A 25 -7.915 -6.807 -6.140 1.00 0.00 C ATOM 334 C VAL A 25 -6.584 -6.069 -6.238 1.00 0.00 C ATOM 335 O VAL A 25 -5.857 -6.207 -7.221 1.00 0.00 O ATOM 336 CB VAL A 25 -8.953 -6.090 -7.024 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.267 -6.855 -7.032 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.162 -4.661 -6.546 1.00 0.00 C ATOM 0 H VAL A 25 -8.723 -6.022 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.788 -7.829 -6.498 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.574 -6.056 -8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.988 -6.333 -7.662 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.101 -7.858 -7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.655 -6.922 -6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.898 -4.169 -7.181 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.520 -4.670 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.218 -4.118 -6.597 1.00 0.00 H new ATOM 348 N ALA A 26 -6.271 -5.286 -5.211 1.00 0.00 N ATOM 349 CA ALA A 26 -5.027 -4.528 -5.179 1.00 0.00 C ATOM 350 C ALA A 26 -3.881 -5.376 -4.638 1.00 0.00 C ATOM 351 O ALA A 26 -3.970 -5.930 -3.542 1.00 0.00 O ATOM 352 CB ALA A 26 -5.196 -3.270 -4.342 1.00 0.00 C ATOM 0 H ALA A 26 -6.863 -5.160 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.780 -4.240 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.259 -2.714 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.980 -2.648 -4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.471 -3.545 -3.324 1.00 0.00 H new ATOM 358 N SER A 27 -2.805 -5.474 -5.413 1.00 0.00 N ATOM 359 CA SER A 27 -1.643 -6.259 -5.012 1.00 0.00 C ATOM 360 C SER A 27 -0.829 -5.523 -3.953 1.00 0.00 C ATOM 361 O SER A 27 -0.802 -4.292 -3.920 1.00 0.00 O ATOM 362 CB SER A 27 -0.764 -6.564 -6.227 1.00 0.00 C ATOM 363 OG SER A 27 -1.481 -7.300 -7.203 1.00 0.00 O ATOM 0 H SER A 27 -2.714 -5.020 -6.322 1.00 0.00 H new ATOM 0 HA SER A 27 -1.998 -7.197 -4.585 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.403 -5.632 -6.662 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.113 -7.129 -5.912 1.00 0.00 H new ATOM 0 HG SER A 27 -0.898 -7.481 -7.970 1.00 0.00 H new ATOM 369 N ARG A 28 -0.167 -6.285 -3.089 1.00 0.00 N ATOM 370 CA ARG A 28 0.647 -5.706 -2.027 1.00 0.00 C ATOM 371 C ARG A 28 1.377 -4.460 -2.520 1.00 0.00 C ATOM 372 O ARG A 28 1.461 -3.457 -1.811 1.00 0.00 O ATOM 373 CB ARG A 28 1.658 -6.732 -1.513 1.00 0.00 C ATOM 374 CG ARG A 28 2.584 -7.268 -2.593 1.00 0.00 C ATOM 375 CD ARG A 28 3.662 -8.167 -2.007 1.00 0.00 C ATOM 376 NE ARG A 28 3.203 -9.545 -1.856 1.00 0.00 N ATOM 377 CZ ARG A 28 3.989 -10.544 -1.471 1.00 0.00 C ATOM 378 NH1 ARG A 28 5.267 -10.319 -1.198 1.00 0.00 N ATOM 379 NH2 ARG A 28 3.497 -11.771 -1.357 1.00 0.00 N ATOM 0 H ARG A 28 -0.178 -7.305 -3.103 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.016 -5.419 -1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.258 -6.276 -0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.120 -7.565 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.003 -7.826 -3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.050 -6.436 -3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.541 -8.146 -2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.969 -7.779 -1.036 1.00 0.00 H new ATOM 0 HE ARG A 28 2.225 -9.752 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.649 -9.377 -1.283 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.868 -11.088 -0.903 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.514 -11.948 -1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.102 -12.537 -1.061 1.00 0.00 H new ATOM 393 N GLU A 29 1.904 -4.532 -3.738 1.00 0.00 N ATOM 394 CA GLU A 29 2.628 -3.410 -4.324 1.00 0.00 C ATOM 395 C GLU A 29 1.678 -2.260 -4.650 1.00 0.00 C ATOM 396 O GLU A 29 1.997 -1.094 -4.417 1.00 0.00 O ATOM 397 CB GLU A 29 3.362 -3.853 -5.591 1.00 0.00 C ATOM 398 CG GLU A 29 4.744 -4.426 -5.325 1.00 0.00 C ATOM 399 CD GLU A 29 5.661 -4.320 -6.528 1.00 0.00 C ATOM 400 OE1 GLU A 29 6.075 -3.190 -6.861 1.00 0.00 O ATOM 401 OE2 GLU A 29 5.966 -5.368 -7.135 1.00 0.00 O ATOM 0 H GLU A 29 1.843 -5.355 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 29 3.358 -3.061 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.760 -4.602 -6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.455 -3.001 -6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.194 -3.902 -4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.650 -5.473 -5.036 1.00 0.00 H new ATOM 408 N GLN A 30 0.512 -2.599 -5.190 1.00 0.00 N ATOM 409 CA GLN A 30 -0.483 -1.595 -5.549 1.00 0.00 C ATOM 410 C GLN A 30 -0.907 -0.788 -4.326 1.00 0.00 C ATOM 411 O GLN A 30 -1.278 0.381 -4.439 1.00 0.00 O ATOM 412 CB GLN A 30 -1.704 -2.262 -6.184 1.00 0.00 C ATOM 413 CG GLN A 30 -1.423 -2.875 -7.546 1.00 0.00 C ATOM 414 CD GLN A 30 -2.664 -2.963 -8.413 1.00 0.00 C ATOM 415 OE1 GLN A 30 -3.502 -3.846 -8.230 1.00 0.00 O ATOM 416 NE2 GLN A 30 -2.787 -2.046 -9.365 1.00 0.00 N ATOM 0 H GLN A 30 0.233 -3.560 -5.388 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.033 -0.915 -6.272 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.072 -3.039 -5.514 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.500 -1.524 -6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.667 -2.280 -8.059 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.006 -3.873 -7.412 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.068 -1.332 -9.481 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.601 -2.055 -9.980 1.00 0.00 H new ATOM 425 N LEU A 31 -0.851 -1.419 -3.159 1.00 0.00 N ATOM 426 CA LEU A 31 -1.230 -0.759 -1.914 1.00 0.00 C ATOM 427 C LEU A 31 -0.237 0.343 -1.557 1.00 0.00 C ATOM 428 O LEU A 31 -0.627 1.428 -1.125 1.00 0.00 O ATOM 429 CB LEU A 31 -1.307 -1.779 -0.776 1.00 0.00 C ATOM 430 CG LEU A 31 -2.629 -2.535 -0.642 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.748 -1.587 -0.240 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.972 -3.246 -1.943 1.00 0.00 C ATOM 0 H LEU A 31 -0.547 -2.386 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.211 -0.306 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.507 -2.507 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.110 -1.262 0.163 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.518 -3.286 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.681 -2.143 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.507 -1.125 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.859 -0.813 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.916 -3.779 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.064 -2.513 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.182 -3.956 -2.189 1.00 0.00 H new ATOM 444 N LEU A 32 1.047 0.058 -1.744 1.00 0.00 N ATOM 445 CA LEU A 32 2.096 1.026 -1.444 1.00 0.00 C ATOM 446 C LEU A 32 2.061 2.190 -2.430 1.00 0.00 C ATOM 447 O LEU A 32 2.231 3.347 -2.045 1.00 0.00 O ATOM 448 CB LEU A 32 3.468 0.350 -1.484 1.00 0.00 C ATOM 449 CG LEU A 32 4.549 0.970 -0.599 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.491 0.385 0.804 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.926 0.759 -1.210 1.00 0.00 C ATOM 0 H LEU A 32 1.387 -0.835 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 32 1.920 1.417 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.345 -0.694 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.823 0.356 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 32 4.365 2.042 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.268 0.838 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.515 0.589 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.649 -0.692 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.682 1.207 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.120 -0.309 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.963 1.227 -2.194 1.00 0.00 H new ATOM 463 N TYR A 33 1.839 1.875 -3.701 1.00 0.00 N ATOM 464 CA TYR A 33 1.782 2.895 -4.742 1.00 0.00 C ATOM 465 C TYR A 33 0.840 4.027 -4.344 1.00 0.00 C ATOM 466 O TYR A 33 1.148 5.204 -4.539 1.00 0.00 O ATOM 467 CB TYR A 33 1.324 2.277 -6.064 1.00 0.00 C ATOM 468 CG TYR A 33 1.508 3.192 -7.255 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.777 3.493 -7.735 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.413 3.755 -7.899 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.949 4.328 -8.821 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.577 4.590 -8.987 1.00 0.00 C ATOM 473 CZ TYR A 33 1.846 4.874 -9.444 1.00 0.00 C ATOM 474 OH TYR A 33 2.013 5.706 -10.527 1.00 0.00 O ATOM 0 H TYR A 33 1.696 0.922 -4.036 1.00 0.00 H new ATOM 0 HA TYR A 33 2.783 3.307 -4.868 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.879 1.354 -6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.271 2.006 -5.984 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.643 3.067 -7.250 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.583 3.536 -7.543 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.942 4.553 -9.181 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.285 5.018 -9.477 1.00 0.00 H new ATOM 0 HH TYR A 33 1.239 5.626 -11.123 1.00 0.00 H new ATOM 484 N LEU A 34 -0.308 3.664 -3.784 1.00 0.00 N ATOM 485 CA LEU A 34 -1.296 4.649 -3.356 1.00 0.00 C ATOM 486 C LEU A 34 -0.924 5.240 -2.001 1.00 0.00 C ATOM 487 O LEU A 34 -1.451 6.278 -1.599 1.00 0.00 O ATOM 488 CB LEU A 34 -2.684 4.009 -3.283 1.00 0.00 C ATOM 489 CG LEU A 34 -3.099 3.167 -4.489 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.451 2.515 -4.245 1.00 0.00 C ATOM 491 CD2 LEU A 34 -3.137 4.021 -5.748 1.00 0.00 C ATOM 0 H LEU A 34 -0.578 2.695 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.312 5.454 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.725 3.379 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.421 4.801 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.359 2.380 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.730 1.920 -5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.391 1.871 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.202 3.287 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.434 3.405 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.856 4.830 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.148 4.441 -5.933 1.00 0.00 H new ATOM 503 N TYR A 35 -0.011 4.575 -1.301 1.00 0.00 N ATOM 504 CA TYR A 35 0.432 5.035 0.010 1.00 0.00 C ATOM 505 C TYR A 35 1.403 6.204 -0.123 1.00 0.00 C ATOM 506 O TYR A 35 1.337 7.170 0.636 1.00 0.00 O ATOM 507 CB TYR A 35 1.095 3.891 0.778 1.00 0.00 C ATOM 508 CG TYR A 35 1.957 4.354 1.930 1.00 0.00 C ATOM 509 CD1 TYR A 35 3.155 5.021 1.703 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.574 4.126 3.246 1.00 0.00 C ATOM 511 CE1 TYR A 35 3.946 5.445 2.753 1.00 0.00 C ATOM 512 CE2 TYR A 35 2.358 4.548 4.302 1.00 0.00 C ATOM 513 CZ TYR A 35 3.543 5.207 4.051 1.00 0.00 C ATOM 514 OH TYR A 35 4.327 5.629 5.100 1.00 0.00 O ATOM 0 H TYR A 35 0.437 3.716 -1.620 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.444 5.375 0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.321 3.224 1.159 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.707 3.309 0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.473 5.211 0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.647 3.610 3.447 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.875 5.960 2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.045 4.363 5.319 1.00 0.00 H new ATOM 0 HH TYR A 35 3.900 5.384 5.947 1.00 0.00 H new ATOM 524 N ALA A 36 2.306 6.108 -1.094 1.00 0.00 N ATOM 525 CA ALA A 36 3.290 7.157 -1.329 1.00 0.00 C ATOM 526 C ALA A 36 2.620 8.440 -1.809 1.00 0.00 C ATOM 527 O ALA A 36 2.683 9.472 -1.141 1.00 0.00 O ATOM 528 CB ALA A 36 4.327 6.691 -2.340 1.00 0.00 C ATOM 0 H ALA A 36 2.376 5.314 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 36 3.790 7.370 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.056 7.485 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.835 5.806 -1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.834 6.448 -3.281 1.00 0.00 H new ATOM 534 N ARG A 37 1.980 8.369 -2.972 1.00 0.00 N ATOM 535 CA ARG A 37 1.300 9.526 -3.542 1.00 0.00 C ATOM 536 C ARG A 37 0.358 10.160 -2.523 1.00 0.00 C ATOM 537 O ARG A 37 0.350 11.378 -2.343 1.00 0.00 O ATOM 538 CB ARG A 37 0.518 9.119 -4.792 1.00 0.00 C ATOM 539 CG ARG A 37 1.342 8.331 -5.797 1.00 0.00 C ATOM 540 CD ARG A 37 0.612 8.183 -7.122 1.00 0.00 C ATOM 541 NE ARG A 37 0.833 9.328 -8.000 1.00 0.00 N ATOM 542 CZ ARG A 37 2.017 9.640 -8.517 1.00 0.00 C ATOM 543 NH1 ARG A 37 3.080 8.896 -8.244 1.00 0.00 N ATOM 544 NH2 ARG A 37 2.139 10.699 -9.308 1.00 0.00 N ATOM 0 H ARG A 37 1.918 7.523 -3.538 1.00 0.00 H new ATOM 0 HA ARG A 37 2.056 10.261 -3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.343 8.521 -4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.131 10.016 -5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.296 8.833 -5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.566 7.344 -5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.947 7.274 -7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.456 8.069 -6.937 1.00 0.00 H new ATOM 0 HE ARG A 37 0.035 9.921 -8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.990 8.082 -7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.987 9.138 -8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.324 11.274 -9.520 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.048 10.938 -9.704 1.00 0.00 H new ATOM 558 N TYR A 38 -0.435 9.325 -1.859 1.00 0.00 N ATOM 559 CA TYR A 38 -1.384 9.804 -0.861 1.00 0.00 C ATOM 560 C TYR A 38 -0.664 10.539 0.266 1.00 0.00 C ATOM 561 O TYR A 38 -1.146 11.554 0.770 1.00 0.00 O ATOM 562 CB TYR A 38 -2.188 8.635 -0.290 1.00 0.00 C ATOM 563 CG TYR A 38 -3.147 9.039 0.808 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.678 9.477 2.041 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.521 8.982 0.613 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.549 9.846 3.047 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.400 9.351 1.613 1.00 0.00 C ATOM 568 CZ TYR A 38 -4.910 9.782 2.828 1.00 0.00 C ATOM 569 OH TYR A 38 -5.782 10.149 3.827 1.00 0.00 O ATOM 0 H TYR A 38 -0.439 8.314 -1.994 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.065 10.501 -1.349 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.750 8.163 -1.096 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.498 7.886 0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.613 9.530 2.215 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.909 8.643 -0.336 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.167 10.183 4.000 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.466 9.302 1.444 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.704 10.047 3.511 1.00 0.00 H new ATOM 579 N LYS A 39 0.495 10.020 0.656 1.00 0.00 N ATOM 580 CA LYS A 39 1.285 10.626 1.722 1.00 0.00 C ATOM 581 C LYS A 39 1.960 11.905 1.238 1.00 0.00 C ATOM 582 O LYS A 39 2.474 12.686 2.039 1.00 0.00 O ATOM 583 CB LYS A 39 2.340 9.639 2.226 1.00 0.00 C ATOM 584 CG LYS A 39 1.822 8.685 3.289 1.00 0.00 C ATOM 585 CD LYS A 39 1.538 9.406 4.595 1.00 0.00 C ATOM 586 CE LYS A 39 2.807 9.985 5.200 1.00 0.00 C ATOM 587 NZ LYS A 39 2.614 10.377 6.624 1.00 0.00 N ATOM 0 H LYS A 39 0.909 9.181 0.250 1.00 0.00 H new ATOM 0 HA LYS A 39 0.612 10.879 2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.716 9.060 1.383 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.184 10.198 2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.912 8.202 2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.555 7.896 3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.819 10.206 4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.080 8.714 5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.610 9.251 5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.120 10.855 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.502 10.767 7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.865 11.096 6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.340 9.542 7.180 1.00 0.00 H new ATOM 601 N GLN A 40 1.954 12.113 -0.074 1.00 0.00 N ATOM 602 CA GLN A 40 2.565 13.298 -0.663 1.00 0.00 C ATOM 603 C GLN A 40 1.549 14.429 -0.789 1.00 0.00 C ATOM 604 O GLN A 40 1.829 15.572 -0.428 1.00 0.00 O ATOM 605 CB GLN A 40 3.151 12.967 -2.037 1.00 0.00 C ATOM 606 CG GLN A 40 3.607 14.191 -2.815 1.00 0.00 C ATOM 607 CD GLN A 40 4.960 14.701 -2.359 1.00 0.00 C ATOM 608 OE1 GLN A 40 5.731 13.975 -1.731 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.257 15.957 -2.675 1.00 0.00 N ATOM 0 H GLN A 40 1.532 11.476 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 40 3.368 13.627 -0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.997 12.292 -1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.403 12.432 -2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.654 13.946 -3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.868 14.984 -2.704 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.588 16.523 -3.197 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.154 16.355 -2.396 1.00 0.00 H new ATOM 618 N VAL A 41 0.369 14.102 -1.305 1.00 0.00 N ATOM 619 CA VAL A 41 -0.690 15.090 -1.479 1.00 0.00 C ATOM 620 C VAL A 41 -1.168 15.625 -0.134 1.00 0.00 C ATOM 621 O VAL A 41 -1.746 16.709 -0.054 1.00 0.00 O ATOM 622 CB VAL A 41 -1.890 14.498 -2.240 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.423 13.761 -3.486 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.693 13.576 -1.335 1.00 0.00 C ATOM 0 H VAL A 41 0.122 13.161 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.268 15.908 -2.063 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.538 15.317 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.286 13.350 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.896 14.454 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.752 12.951 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.537 13.167 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.057 12.761 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.061 14.138 -0.477 1.00 0.00 H new ATOM 634 N LYS A 42 -0.923 14.858 0.923 1.00 0.00 N ATOM 635 CA LYS A 42 -1.327 15.253 2.267 1.00 0.00 C ATOM 636 C LYS A 42 -0.183 15.952 2.995 1.00 0.00 C ATOM 637 O LYS A 42 -0.350 17.050 3.527 1.00 0.00 O ATOM 638 CB LYS A 42 -1.782 14.030 3.066 1.00 0.00 C ATOM 639 CG LYS A 42 -3.088 13.433 2.572 1.00 0.00 C ATOM 640 CD LYS A 42 -4.250 14.393 2.767 1.00 0.00 C ATOM 641 CE LYS A 42 -5.556 13.796 2.266 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.732 14.334 3.006 1.00 0.00 N ATOM 0 H LYS A 42 -0.446 13.958 0.874 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.159 15.951 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.004 13.268 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.894 14.311 4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.997 13.181 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.289 12.504 3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.344 14.642 3.824 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.047 15.324 2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.668 14.008 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.524 12.712 2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.603 13.903 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.638 14.110 4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.777 15.366 2.883 1.00 0.00 H new ATOM 656 N VAL A 43 0.981 15.310 3.014 1.00 0.00 N ATOM 657 CA VAL A 43 2.153 15.871 3.674 1.00 0.00 C ATOM 658 C VAL A 43 2.983 16.705 2.705 1.00 0.00 C ATOM 659 O VAL A 43 3.183 17.901 2.913 1.00 0.00 O ATOM 660 CB VAL A 43 3.042 14.765 4.274 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.225 15.373 5.013 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.229 13.870 5.197 1.00 0.00 C ATOM 0 H VAL A 43 1.137 14.400 2.579 1.00 0.00 H new ATOM 0 HA VAL A 43 1.788 16.510 4.478 1.00 0.00 H new ATOM 0 HB VAL A 43 3.429 14.152 3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.842 14.577 5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.820 15.968 4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.862 16.011 5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.873 13.094 5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.811 14.467 6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.419 13.406 4.634 1.00 0.00 H new ATOM 672 N GLY A 44 3.465 16.065 1.644 1.00 0.00 N ATOM 673 CA GLY A 44 4.268 16.764 0.658 1.00 0.00 C ATOM 674 C GLY A 44 5.647 16.156 0.497 1.00 0.00 C ATOM 675 O GLY A 44 5.797 14.935 0.483 1.00 0.00 O ATOM 0 H GLY A 44 3.314 15.075 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.753 16.748 -0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.367 17.810 0.950 1.00 0.00 H new ATOM 679 N ASN A 45 6.658 17.011 0.373 1.00 0.00 N ATOM 680 CA ASN A 45 8.032 16.551 0.210 1.00 0.00 C ATOM 681 C ASN A 45 8.497 15.778 1.440 1.00 0.00 C ATOM 682 O ASN A 45 8.593 16.333 2.535 1.00 0.00 O ATOM 683 CB ASN A 45 8.963 17.738 -0.042 1.00 0.00 C ATOM 684 CG ASN A 45 8.447 18.657 -1.133 1.00 0.00 C ATOM 685 OD1 ASN A 45 7.263 18.992 -1.168 1.00 0.00 O ATOM 686 ND2 ASN A 45 9.336 19.068 -2.030 1.00 0.00 N ATOM 0 H ASN A 45 6.551 18.025 0.382 1.00 0.00 H new ATOM 0 HA ASN A 45 8.065 15.883 -0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.082 18.305 0.881 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.951 17.369 -0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.047 19.687 -2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.307 18.765 -1.961 1.00 0.00 H new ATOM 693 N CYS A 46 8.784 14.495 1.252 1.00 0.00 N ATOM 694 CA CYS A 46 9.239 13.644 2.347 1.00 0.00 C ATOM 695 C CYS A 46 10.130 14.425 3.308 1.00 0.00 C ATOM 696 O CYS A 46 11.175 14.943 2.918 1.00 0.00 O ATOM 697 CB CYS A 46 9.996 12.434 1.800 1.00 0.00 C ATOM 698 SG CYS A 46 10.146 11.065 2.971 1.00 0.00 S ATOM 0 H CYS A 46 8.710 14.021 0.352 1.00 0.00 H new ATOM 0 HA CYS A 46 8.362 13.297 2.893 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.489 12.077 0.903 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.994 12.750 1.497 1.00 0.00 H new ATOM 0 HG CYS A 46 8.963 10.616 3.267 1.00 0.00 H new ATOM 704 N ASN A 47 9.707 14.506 4.565 1.00 0.00 N ATOM 705 CA ASN A 47 10.465 15.226 5.582 1.00 0.00 C ATOM 706 C ASN A 47 10.833 14.305 6.741 1.00 0.00 C ATOM 707 O ASN A 47 10.811 14.711 7.903 1.00 0.00 O ATOM 708 CB ASN A 47 9.660 16.419 6.100 1.00 0.00 C ATOM 709 CG ASN A 47 8.178 16.113 6.208 1.00 0.00 C ATOM 710 OD1 ASN A 47 7.384 16.529 5.365 1.00 0.00 O ATOM 711 ND2 ASN A 47 7.800 15.382 7.251 1.00 0.00 N ATOM 0 H ASN A 47 8.843 14.082 4.904 1.00 0.00 H new ATOM 0 HA ASN A 47 11.385 15.589 5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.040 16.713 7.078 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.805 17.269 5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.816 15.144 7.377 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.494 15.059 7.925 1.00 0.00 H new ATOM 718 N THR A 48 11.172 13.061 6.416 1.00 0.00 N ATOM 719 CA THR A 48 11.543 12.081 7.429 1.00 0.00 C ATOM 720 C THR A 48 12.848 11.382 7.065 1.00 0.00 C ATOM 721 O THR A 48 13.135 11.120 5.897 1.00 0.00 O ATOM 722 CB THR A 48 10.441 11.021 7.617 1.00 0.00 C ATOM 723 OG1 THR A 48 10.049 10.492 6.345 1.00 0.00 O ATOM 724 CG2 THR A 48 9.231 11.617 8.319 1.00 0.00 C ATOM 0 H THR A 48 11.197 12.709 5.459 1.00 0.00 H new ATOM 0 HA THR A 48 11.674 12.627 8.363 1.00 0.00 H new ATOM 0 HB THR A 48 10.841 10.218 8.236 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.495 9.632 6.197 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.466 10.850 8.440 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.527 11.993 9.298 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.831 12.437 7.722 1.00 0.00 H new ATOM 732 N PRO A 49 13.659 11.070 8.087 1.00 0.00 N ATOM 733 CA PRO A 49 14.947 10.396 7.899 1.00 0.00 C ATOM 734 C PRO A 49 14.782 8.945 7.460 1.00 0.00 C ATOM 735 O PRO A 49 13.819 8.277 7.835 1.00 0.00 O ATOM 736 CB PRO A 49 15.589 10.465 9.287 1.00 0.00 C ATOM 737 CG PRO A 49 14.442 10.573 10.231 1.00 0.00 C ATOM 738 CD PRO A 49 13.381 11.353 9.505 1.00 0.00 C ATOM 0 HA PRO A 49 15.542 10.865 7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.187 9.577 9.491 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.254 11.324 9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.076 9.586 10.515 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.739 11.079 11.150 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.380 11.031 9.790 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.447 12.419 9.722 1.00 0.00 H new ATOM 746 N LYS A 50 15.729 8.462 6.663 1.00 0.00 N ATOM 747 CA LYS A 50 15.691 7.089 6.173 1.00 0.00 C ATOM 748 C LYS A 50 15.548 6.103 7.328 1.00 0.00 C ATOM 749 O LYS A 50 16.309 6.130 8.296 1.00 0.00 O ATOM 750 CB LYS A 50 16.959 6.776 5.375 1.00 0.00 C ATOM 751 CG LYS A 50 16.819 5.569 4.462 1.00 0.00 C ATOM 752 CD LYS A 50 17.681 5.709 3.218 1.00 0.00 C ATOM 753 CE LYS A 50 17.223 4.769 2.114 1.00 0.00 C ATOM 754 NZ LYS A 50 15.861 5.115 1.621 1.00 0.00 N ATOM 0 H LYS A 50 16.533 9.002 6.342 1.00 0.00 H new ATOM 0 HA LYS A 50 14.824 6.986 5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.225 7.646 4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.782 6.603 6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.104 4.667 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.775 5.450 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.642 6.738 2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.721 5.498 3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.930 4.810 1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.225 3.744 2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.235 4.290 1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.482 5.908 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.914 5.389 0.619 1.00 0.00 H new ATOM 768 N PRO A 51 14.552 5.211 7.226 1.00 0.00 N ATOM 769 CA PRO A 51 14.288 4.198 8.252 1.00 0.00 C ATOM 770 C PRO A 51 15.373 3.128 8.304 1.00 0.00 C ATOM 771 O PRO A 51 16.112 2.933 7.339 1.00 0.00 O ATOM 772 CB PRO A 51 12.955 3.587 7.813 1.00 0.00 C ATOM 773 CG PRO A 51 12.899 3.817 6.342 1.00 0.00 C ATOM 774 CD PRO A 51 13.608 5.121 6.100 1.00 0.00 C ATOM 0 HA PRO A 51 14.266 4.629 9.253 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.910 2.524 8.049 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.115 4.062 8.320 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.383 3.004 5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.867 3.863 5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.126 5.125 5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.913 5.960 6.091 1.00 0.00 H new ATOM 782 N SER A 52 15.464 2.437 9.436 1.00 0.00 N ATOM 783 CA SER A 52 16.461 1.389 9.614 1.00 0.00 C ATOM 784 C SER A 52 16.401 0.382 8.469 1.00 0.00 C ATOM 785 O SER A 52 15.372 0.234 7.810 1.00 0.00 O ATOM 786 CB SER A 52 16.247 0.673 10.949 1.00 0.00 C ATOM 787 OG SER A 52 17.454 0.095 11.417 1.00 0.00 O ATOM 0 H SER A 52 14.859 2.585 10.244 1.00 0.00 H new ATOM 0 HA SER A 52 17.446 1.855 9.614 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.868 1.379 11.688 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.490 -0.103 10.832 1.00 0.00 H new ATOM 0 HG SER A 52 17.291 -0.355 12.272 1.00 0.00 H new ATOM 793 N PHE A 53 17.513 -0.309 8.238 1.00 0.00 N ATOM 794 CA PHE A 53 17.589 -1.302 7.172 1.00 0.00 C ATOM 795 C PHE A 53 16.745 -2.527 7.510 1.00 0.00 C ATOM 796 O PHE A 53 16.389 -3.312 6.630 1.00 0.00 O ATOM 797 CB PHE A 53 19.042 -1.718 6.937 1.00 0.00 C ATOM 798 CG PHE A 53 19.218 -2.649 5.771 1.00 0.00 C ATOM 799 CD1 PHE A 53 18.823 -3.974 5.860 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.779 -2.199 4.587 1.00 0.00 C ATOM 801 CE1 PHE A 53 18.983 -4.833 4.790 1.00 0.00 C ATOM 802 CE2 PHE A 53 19.940 -3.053 3.513 1.00 0.00 C ATOM 803 CZ PHE A 53 19.543 -4.372 3.615 1.00 0.00 C ATOM 0 H PHE A 53 18.374 -0.200 8.775 1.00 0.00 H new ATOM 0 HA PHE A 53 17.196 -0.852 6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.645 -0.825 6.773 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.424 -2.200 7.837 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.385 -4.340 6.777 1.00 0.00 H new ATOM 0 HD2 PHE A 53 20.094 -1.169 4.503 1.00 0.00 H new ATOM 0 HE1 PHE A 53 18.671 -5.864 4.872 1.00 0.00 H new ATOM 0 HE2 PHE A 53 20.376 -2.689 2.594 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.670 -5.042 2.777 1.00 0.00 H new ATOM 813 N PHE A 54 16.428 -2.686 8.791 1.00 0.00 N ATOM 814 CA PHE A 54 15.628 -3.816 9.246 1.00 0.00 C ATOM 815 C PHE A 54 14.146 -3.578 8.973 1.00 0.00 C ATOM 816 O PHE A 54 13.495 -4.368 8.288 1.00 0.00 O ATOM 817 CB PHE A 54 15.850 -4.057 10.741 1.00 0.00 C ATOM 818 CG PHE A 54 17.296 -4.225 11.112 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.155 -4.945 10.297 1.00 0.00 C ATOM 820 CD2 PHE A 54 17.796 -3.664 12.276 1.00 0.00 C ATOM 821 CE1 PHE A 54 19.486 -5.101 10.637 1.00 0.00 C ATOM 822 CE2 PHE A 54 19.126 -3.817 12.621 1.00 0.00 C ATOM 823 CZ PHE A 54 19.972 -4.536 11.799 1.00 0.00 C ATOM 0 H PHE A 54 16.713 -2.046 9.532 1.00 0.00 H new ATOM 0 HA PHE A 54 15.945 -4.699 8.692 1.00 0.00 H new ATOM 0 HB2 PHE A 54 15.434 -3.220 11.302 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.300 -4.948 11.043 1.00 0.00 H new ATOM 0 HD1 PHE A 54 17.781 -5.389 9.386 1.00 0.00 H new ATOM 0 HD2 PHE A 54 17.139 -3.100 12.922 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.145 -5.665 9.994 1.00 0.00 H new ATOM 0 HE2 PHE A 54 19.503 -3.375 13.532 1.00 0.00 H new ATOM 0 HZ PHE A 54 21.012 -4.656 12.065 1.00 0.00 H new ATOM 833 N ASP A 55 13.619 -2.486 9.514 1.00 0.00 N ATOM 834 CA ASP A 55 12.214 -2.142 9.330 1.00 0.00 C ATOM 835 C ASP A 55 11.881 -1.994 7.848 1.00 0.00 C ATOM 836 O ASP A 55 11.928 -0.893 7.298 1.00 0.00 O ATOM 837 CB ASP A 55 11.881 -0.847 10.072 1.00 0.00 C ATOM 838 CG ASP A 55 10.388 -0.638 10.232 1.00 0.00 C ATOM 839 OD1 ASP A 55 9.685 -0.571 9.202 1.00 0.00 O ATOM 840 OD2 ASP A 55 9.923 -0.540 11.387 1.00 0.00 O ATOM 0 H ASP A 55 14.144 -1.823 10.084 1.00 0.00 H new ATOM 0 HA ASP A 55 11.611 -2.951 9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.350 -0.865 11.056 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.307 -0.002 9.531 1.00 0.00 H new ATOM 845 N PHE A 56 11.545 -3.109 7.208 1.00 0.00 N ATOM 846 CA PHE A 56 11.206 -3.103 5.790 1.00 0.00 C ATOM 847 C PHE A 56 9.893 -2.364 5.547 1.00 0.00 C ATOM 848 O PHE A 56 9.839 -1.415 4.766 1.00 0.00 O ATOM 849 CB PHE A 56 11.103 -4.536 5.262 1.00 0.00 C ATOM 850 CG PHE A 56 11.901 -5.527 6.061 1.00 0.00 C ATOM 851 CD1 PHE A 56 11.339 -6.167 7.154 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.211 -5.818 5.719 1.00 0.00 C ATOM 853 CE1 PHE A 56 12.070 -7.080 7.891 1.00 0.00 C ATOM 854 CE2 PHE A 56 13.947 -6.730 6.452 1.00 0.00 C ATOM 855 CZ PHE A 56 13.376 -7.361 7.540 1.00 0.00 C ATOM 0 H PHE A 56 11.500 -4.028 7.649 1.00 0.00 H new ATOM 0 HA PHE A 56 12.000 -2.582 5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.056 -4.840 5.261 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.442 -4.559 4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.319 -5.950 7.433 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.663 -5.327 4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.620 -7.573 8.740 1.00 0.00 H new ATOM 0 HE2 PHE A 56 14.967 -6.949 6.174 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.950 -8.073 8.115 1.00 0.00 H new ATOM 865 N GLU A 57 8.838 -2.809 6.222 1.00 0.00 N ATOM 866 CA GLU A 57 7.525 -2.191 6.078 1.00 0.00 C ATOM 867 C GLU A 57 7.649 -0.677 5.934 1.00 0.00 C ATOM 868 O GLU A 57 7.035 -0.074 5.054 1.00 0.00 O ATOM 869 CB GLU A 57 6.643 -2.529 7.282 1.00 0.00 C ATOM 870 CG GLU A 57 6.627 -4.008 7.628 1.00 0.00 C ATOM 871 CD GLU A 57 5.628 -4.341 8.720 1.00 0.00 C ATOM 872 OE1 GLU A 57 4.538 -3.732 8.732 1.00 0.00 O ATOM 873 OE2 GLU A 57 5.936 -5.210 9.562 1.00 0.00 O ATOM 0 H GLU A 57 8.867 -3.594 6.873 1.00 0.00 H new ATOM 0 HA GLU A 57 7.062 -2.588 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.992 -1.966 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.624 -2.201 7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.388 -4.584 6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.624 -4.314 7.947 1.00 0.00 H new ATOM 880 N GLY A 58 8.447 -0.068 6.806 1.00 0.00 N ATOM 881 CA GLY A 58 8.637 1.370 6.760 1.00 0.00 C ATOM 882 C GLY A 58 9.591 1.794 5.660 1.00 0.00 C ATOM 883 O GLY A 58 9.453 2.877 5.092 1.00 0.00 O ATOM 0 H GLY A 58 8.965 -0.545 7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.673 1.856 6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.020 1.714 7.721 1.00 0.00 H new ATOM 887 N LYS A 59 10.562 0.939 5.360 1.00 0.00 N ATOM 888 CA LYS A 59 11.544 1.229 4.321 1.00 0.00 C ATOM 889 C LYS A 59 10.860 1.476 2.980 1.00 0.00 C ATOM 890 O LYS A 59 10.890 2.588 2.454 1.00 0.00 O ATOM 891 CB LYS A 59 12.539 0.074 4.194 1.00 0.00 C ATOM 892 CG LYS A 59 13.863 0.478 3.568 1.00 0.00 C ATOM 893 CD LYS A 59 14.982 -0.468 3.972 1.00 0.00 C ATOM 894 CE LYS A 59 14.665 -1.904 3.584 1.00 0.00 C ATOM 895 NZ LYS A 59 14.355 -2.032 2.134 1.00 0.00 N ATOM 0 H LYS A 59 10.691 0.039 5.822 1.00 0.00 H new ATOM 0 HA LYS A 59 12.082 2.133 4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.727 -0.343 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.090 -0.717 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.766 0.486 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.116 1.494 3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.912 -0.158 3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.140 -0.407 5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.513 -2.542 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.817 -2.259 4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.345 -3.038 1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.423 -1.613 1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.080 -1.535 1.579 1.00 0.00 H new ATOM 909 N GLN A 60 10.244 0.432 2.434 1.00 0.00 N ATOM 910 CA GLN A 60 9.553 0.537 1.155 1.00 0.00 C ATOM 911 C GLN A 60 8.703 1.803 1.098 1.00 0.00 C ATOM 912 O GLN A 60 8.746 2.549 0.119 1.00 0.00 O ATOM 913 CB GLN A 60 8.673 -0.693 0.924 1.00 0.00 C ATOM 914 CG GLN A 60 7.890 -1.120 2.155 1.00 0.00 C ATOM 915 CD GLN A 60 7.029 -2.342 1.904 1.00 0.00 C ATOM 916 OE1 GLN A 60 5.816 -2.316 2.115 1.00 0.00 O ATOM 917 NE2 GLN A 60 7.654 -3.423 1.451 1.00 0.00 N ATOM 0 H GLN A 60 10.210 -0.495 2.857 1.00 0.00 H new ATOM 0 HA GLN A 60 10.305 0.590 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.974 -0.483 0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.300 -1.522 0.597 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.585 -1.331 2.968 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.257 -0.295 2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.661 -3.400 1.290 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.127 -4.276 1.264 1.00 0.00 H new ATOM 926 N LYS A 61 7.931 2.039 2.153 1.00 0.00 N ATOM 927 CA LYS A 61 7.071 3.215 2.224 1.00 0.00 C ATOM 928 C LYS A 61 7.893 4.496 2.128 1.00 0.00 C ATOM 929 O LYS A 61 7.662 5.328 1.250 1.00 0.00 O ATOM 930 CB LYS A 61 6.269 3.207 3.527 1.00 0.00 C ATOM 931 CG LYS A 61 5.306 2.038 3.642 1.00 0.00 C ATOM 932 CD LYS A 61 4.699 1.950 5.032 1.00 0.00 C ATOM 933 CE LYS A 61 3.502 1.012 5.060 1.00 0.00 C ATOM 934 NZ LYS A 61 2.898 0.924 6.418 1.00 0.00 N ATOM 0 H LYS A 61 7.883 1.432 2.971 1.00 0.00 H new ATOM 0 HA LYS A 61 6.382 3.183 1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.961 3.181 4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.708 4.138 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.512 2.146 2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.830 1.110 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.453 1.601 5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.392 2.943 5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.751 1.360 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.811 0.019 4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.085 0.275 6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.607 0.568 7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.579 1.867 6.718 1.00 0.00 H new ATOM 948 N TRP A 62 8.852 4.648 3.034 1.00 0.00 N ATOM 949 CA TRP A 62 9.708 5.828 3.050 1.00 0.00 C ATOM 950 C TRP A 62 10.194 6.167 1.644 1.00 0.00 C ATOM 951 O TRP A 62 10.065 7.304 1.192 1.00 0.00 O ATOM 952 CB TRP A 62 10.905 5.603 3.975 1.00 0.00 C ATOM 953 CG TRP A 62 11.642 6.864 4.311 1.00 0.00 C ATOM 954 CD1 TRP A 62 11.357 7.736 5.322 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.786 7.394 3.632 1.00 0.00 C ATOM 956 NE1 TRP A 62 12.254 8.776 5.313 1.00 0.00 N ATOM 957 CE2 TRP A 62 13.141 8.590 4.286 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.546 6.974 2.537 1.00 0.00 C ATOM 959 CZ2 TRP A 62 14.222 9.368 3.879 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.617 7.748 2.134 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.948 8.933 2.804 1.00 0.00 C ATOM 0 H TRP A 62 9.056 3.969 3.767 1.00 0.00 H new ATOM 0 HA TRP A 62 9.121 6.667 3.424 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.559 5.136 4.897 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.594 4.903 3.502 1.00 0.00 H new ATOM 0 HD1 TRP A 62 10.545 7.624 6.026 1.00 0.00 H new ATOM 0 HE1 TRP A 62 12.259 9.560 5.965 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.300 6.061 2.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.478 10.282 4.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.210 7.434 1.287 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.793 9.514 2.465 1.00 0.00 H new ATOM 972 N GLU A 63 10.751 5.173 0.960 1.00 0.00 N ATOM 973 CA GLU A 63 11.256 5.369 -0.395 1.00 0.00 C ATOM 974 C GLU A 63 10.144 5.841 -1.327 1.00 0.00 C ATOM 975 O GLU A 63 10.173 6.967 -1.824 1.00 0.00 O ATOM 976 CB GLU A 63 11.866 4.070 -0.928 1.00 0.00 C ATOM 977 CG GLU A 63 13.141 3.658 -0.212 1.00 0.00 C ATOM 978 CD GLU A 63 13.868 2.530 -0.918 1.00 0.00 C ATOM 979 OE1 GLU A 63 14.545 2.803 -1.932 1.00 0.00 O ATOM 980 OE2 GLU A 63 13.760 1.375 -0.457 1.00 0.00 O ATOM 0 H GLU A 63 10.864 4.225 1.320 1.00 0.00 H new ATOM 0 HA GLU A 63 12.028 6.138 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.132 3.269 -0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.078 4.187 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.804 4.520 -0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.899 3.349 0.805 1.00 0.00 H new ATOM 987 N ALA A 64 9.165 4.973 -1.559 1.00 0.00 N ATOM 988 CA ALA A 64 8.043 5.301 -2.429 1.00 0.00 C ATOM 989 C ALA A 64 7.637 6.763 -2.274 1.00 0.00 C ATOM 990 O ALA A 64 7.562 7.503 -3.255 1.00 0.00 O ATOM 991 CB ALA A 64 6.862 4.389 -2.134 1.00 0.00 C ATOM 0 H ALA A 64 9.126 4.037 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 64 8.358 5.146 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.031 4.645 -2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.152 3.352 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.555 4.515 -1.096 1.00 0.00 H new ATOM 997 N TRP A 65 7.377 7.172 -1.038 1.00 0.00 N ATOM 998 CA TRP A 65 6.978 8.546 -0.755 1.00 0.00 C ATOM 999 C TRP A 65 8.153 9.501 -0.930 1.00 0.00 C ATOM 1000 O TRP A 65 7.974 10.661 -1.302 1.00 0.00 O ATOM 1001 CB TRP A 65 6.422 8.655 0.666 1.00 0.00 C ATOM 1002 CG TRP A 65 6.160 10.067 1.094 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.769 11.106 0.298 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.272 10.596 2.420 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.631 12.248 1.049 1.00 0.00 N ATOM 1006 CE2 TRP A 65 5.933 11.961 2.354 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.624 10.048 3.657 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.938 12.784 3.478 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.628 10.866 4.771 1.00 0.00 C ATOM 1010 CH2 TRP A 65 6.286 12.221 4.675 1.00 0.00 C ATOM 0 H TRP A 65 7.435 6.572 -0.215 1.00 0.00 H new ATOM 0 HA TRP A 65 6.199 8.825 -1.464 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.495 8.085 0.731 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.126 8.197 1.360 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.594 11.039 -0.766 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.349 13.161 0.693 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.888 9.004 3.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.676 13.829 3.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.899 10.454 5.732 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.297 12.834 5.564 1.00 0.00 H new ATOM 1021 N LYS A 66 9.356 9.007 -0.659 1.00 0.00 N ATOM 1022 CA LYS A 66 10.563 9.816 -0.788 1.00 0.00 C ATOM 1023 C LYS A 66 10.767 10.262 -2.232 1.00 0.00 C ATOM 1024 O LYS A 66 11.017 11.437 -2.499 1.00 0.00 O ATOM 1025 CB LYS A 66 11.784 9.028 -0.309 1.00 0.00 C ATOM 1026 CG LYS A 66 13.105 9.717 -0.600 1.00 0.00 C ATOM 1027 CD LYS A 66 13.335 10.898 0.329 1.00 0.00 C ATOM 1028 CE LYS A 66 14.613 11.643 -0.021 1.00 0.00 C ATOM 1029 NZ LYS A 66 14.732 12.924 0.728 1.00 0.00 N ATOM 0 H LYS A 66 9.522 8.050 -0.348 1.00 0.00 H new ATOM 0 HA LYS A 66 10.444 10.703 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.700 8.861 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.783 8.047 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.921 9.003 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.118 10.059 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.487 11.580 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.388 10.546 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.473 11.012 0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.634 11.845 -1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.617 13.401 0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.924 13.537 0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.738 12.729 1.750 1.00 0.00 H new ATOM 1043 N ALA A 67 10.657 9.317 -3.160 1.00 0.00 N ATOM 1044 CA ALA A 67 10.826 9.615 -4.577 1.00 0.00 C ATOM 1045 C ALA A 67 10.069 10.880 -4.966 1.00 0.00 C ATOM 1046 O ALA A 67 10.495 11.622 -5.853 1.00 0.00 O ATOM 1047 CB ALA A 67 10.361 8.438 -5.422 1.00 0.00 C ATOM 0 H ALA A 67 10.452 8.339 -2.956 1.00 0.00 H new ATOM 0 HA ALA A 67 11.886 9.786 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.493 8.674 -6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.949 7.555 -5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.308 8.241 -5.223 1.00 0.00 H new ATOM 1053 N LEU A 68 8.946 11.121 -4.300 1.00 0.00 N ATOM 1054 CA LEU A 68 8.129 12.298 -4.577 1.00 0.00 C ATOM 1055 C LEU A 68 8.654 13.515 -3.823 1.00 0.00 C ATOM 1056 O LEU A 68 7.899 14.215 -3.149 1.00 0.00 O ATOM 1057 CB LEU A 68 6.673 12.034 -4.191 1.00 0.00 C ATOM 1058 CG LEU A 68 6.028 10.794 -4.812 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.697 10.491 -4.140 1.00 0.00 C ATOM 1060 CD2 LEU A 68 5.840 10.985 -6.310 1.00 0.00 C ATOM 0 H LEU A 68 8.580 10.517 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 68 8.184 12.505 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.616 11.944 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.080 12.905 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 68 6.693 9.944 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.253 9.606 -4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.859 10.311 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.024 11.340 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.380 10.093 -6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.196 11.846 -6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.809 11.153 -6.780 1.00 0.00 H new ATOM 1072 N GLY A 69 9.955 13.763 -3.942 1.00 0.00 N ATOM 1073 CA GLY A 69 10.559 14.898 -3.268 1.00 0.00 C ATOM 1074 C GLY A 69 9.831 16.196 -3.554 1.00 0.00 C ATOM 1075 O GLY A 69 9.123 16.721 -2.694 1.00 0.00 O ATOM 0 H GLY A 69 10.601 13.198 -4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.565 14.717 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.599 14.991 -3.581 1.00 0.00 H new ATOM 1079 N ASP A 70 10.007 16.717 -4.763 1.00 0.00 N ATOM 1080 CA ASP A 70 9.362 17.964 -5.160 1.00 0.00 C ATOM 1081 C ASP A 70 8.220 17.698 -6.135 1.00 0.00 C ATOM 1082 O ASP A 70 8.150 18.304 -7.204 1.00 0.00 O ATOM 1083 CB ASP A 70 10.381 18.911 -5.794 1.00 0.00 C ATOM 1084 CG ASP A 70 11.596 19.128 -4.914 1.00 0.00 C ATOM 1085 OD1 ASP A 70 12.209 18.125 -4.491 1.00 0.00 O ATOM 1086 OD2 ASP A 70 11.935 20.300 -4.648 1.00 0.00 O ATOM 0 H ASP A 70 10.591 16.296 -5.486 1.00 0.00 H new ATOM 0 HA ASP A 70 8.951 18.432 -4.266 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.700 18.507 -6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.905 19.871 -5.994 1.00 0.00 H new ATOM 1091 N SER A 71 7.328 16.786 -5.760 1.00 0.00 N ATOM 1092 CA SER A 71 6.191 16.436 -6.605 1.00 0.00 C ATOM 1093 C SER A 71 4.930 17.162 -6.147 1.00 0.00 C ATOM 1094 O SER A 71 4.764 17.454 -4.962 1.00 0.00 O ATOM 1095 CB SER A 71 5.959 14.924 -6.583 1.00 0.00 C ATOM 1096 OG SER A 71 6.713 14.278 -7.594 1.00 0.00 O ATOM 0 H SER A 71 7.370 16.276 -4.877 1.00 0.00 H new ATOM 0 HA SER A 71 6.418 16.747 -7.625 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.236 14.525 -5.607 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.899 14.713 -6.725 1.00 0.00 H new ATOM 0 HG SER A 71 6.549 13.313 -7.558 1.00 0.00 H new ATOM 1102 N SER A 72 4.044 17.452 -7.094 1.00 0.00 N ATOM 1103 CA SER A 72 2.799 18.147 -6.790 1.00 0.00 C ATOM 1104 C SER A 72 1.760 17.181 -6.231 1.00 0.00 C ATOM 1105 O SER A 72 1.823 15.970 -6.443 1.00 0.00 O ATOM 1106 CB SER A 72 2.253 18.832 -8.045 1.00 0.00 C ATOM 1107 OG SER A 72 2.777 20.141 -8.181 1.00 0.00 O ATOM 0 H SER A 72 4.165 17.216 -8.079 1.00 0.00 H new ATOM 0 HA SER A 72 3.009 18.904 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.508 18.242 -8.925 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.165 18.876 -7.995 1.00 0.00 H new ATOM 0 HG SER A 72 2.414 20.556 -8.991 1.00 0.00 H new ATOM 1113 N PRO A 73 0.778 17.728 -5.500 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.295 16.933 -4.895 1.00 0.00 C ATOM 1115 C PRO A 73 -1.254 16.366 -5.936 1.00 0.00 C ATOM 1116 O PRO A 73 -1.544 15.170 -5.940 1.00 0.00 O ATOM 1117 CB PRO A 73 -1.018 17.939 -3.995 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.737 19.267 -4.609 1.00 0.00 C ATOM 1119 CD PRO A 73 0.639 19.164 -5.207 1.00 0.00 C ATOM 0 HA PRO A 73 0.093 16.065 -4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.089 17.739 -3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.649 17.890 -2.971 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.477 19.509 -5.372 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.779 20.059 -3.862 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.731 19.769 -6.109 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.406 19.508 -4.513 1.00 0.00 H new ATOM 1127 N SER A 74 -1.743 17.232 -6.818 1.00 0.00 N ATOM 1128 CA SER A 74 -2.672 16.817 -7.863 1.00 0.00 C ATOM 1129 C SER A 74 -2.055 15.729 -8.737 1.00 0.00 C ATOM 1130 O SER A 74 -2.704 14.732 -9.053 1.00 0.00 O ATOM 1131 CB SER A 74 -3.070 18.016 -8.726 1.00 0.00 C ATOM 1132 OG SER A 74 -2.185 18.173 -9.821 1.00 0.00 O ATOM 0 H SER A 74 -1.511 18.225 -6.830 1.00 0.00 H new ATOM 0 HA SER A 74 -3.563 16.412 -7.383 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.087 17.882 -9.093 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.067 18.922 -8.119 1.00 0.00 H new ATOM 0 HG SER A 74 -2.462 18.945 -10.358 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.800 15.930 -9.124 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.096 14.967 -9.962 1.00 0.00 C ATOM 1140 C GLN A 75 -0.027 13.603 -9.284 1.00 0.00 C ATOM 1141 O GLN A 75 0.137 12.578 -9.945 1.00 0.00 O ATOM 1142 CB GLN A 75 1.316 15.467 -10.275 1.00 0.00 C ATOM 1143 CG GLN A 75 1.341 16.733 -11.115 1.00 0.00 C ATOM 1144 CD GLN A 75 1.287 16.447 -12.603 1.00 0.00 C ATOM 1145 OE1 GLN A 75 0.721 15.442 -13.034 1.00 0.00 O ATOM 1146 NE2 GLN A 75 1.878 17.332 -13.398 1.00 0.00 N ATOM 0 H GLN A 75 -0.250 16.751 -8.871 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.651 14.861 -10.894 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.843 15.652 -9.339 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.862 14.683 -10.799 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.496 17.364 -10.839 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.247 17.296 -10.890 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.336 18.151 -12.998 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.874 17.192 -14.408 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.151 13.599 -7.961 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.104 12.361 -7.193 1.00 0.00 C ATOM 1157 C ALA A 76 -1.486 11.723 -7.094 1.00 0.00 C ATOM 1158 O ALA A 76 -1.610 10.506 -6.961 1.00 0.00 O ATOM 1159 CB ALA A 76 0.460 12.622 -5.804 1.00 0.00 C ATOM 0 H ALA A 76 -0.285 14.439 -7.399 1.00 0.00 H new ATOM 0 HA ALA A 76 0.552 11.664 -7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.489 11.689 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.469 13.025 -5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.174 13.340 -5.283 1.00 0.00 H new ATOM 1165 N MET A 77 -2.522 12.554 -7.159 1.00 0.00 N ATOM 1166 CA MET A 77 -3.895 12.070 -7.077 1.00 0.00 C ATOM 1167 C MET A 77 -4.354 11.506 -8.418 1.00 0.00 C ATOM 1168 O MET A 77 -5.242 10.656 -8.472 1.00 0.00 O ATOM 1169 CB MET A 77 -4.830 13.198 -6.638 1.00 0.00 C ATOM 1170 CG MET A 77 -4.438 13.832 -5.313 1.00 0.00 C ATOM 1171 SD MET A 77 -5.781 14.780 -4.571 1.00 0.00 S ATOM 1172 CE MET A 77 -4.932 16.302 -4.156 1.00 0.00 C ATOM 0 H MET A 77 -2.436 13.565 -7.268 1.00 0.00 H new ATOM 0 HA MET A 77 -3.929 11.271 -6.337 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.844 13.968 -7.410 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.845 12.808 -6.558 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.124 13.051 -4.620 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.579 14.486 -5.467 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.626 17.139 -4.234 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.552 16.240 -3.136 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.101 16.454 -4.844 1.00 0.00 H new ATOM 1182 N GLN A 78 -3.743 11.986 -9.496 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.091 11.530 -10.837 1.00 0.00 C ATOM 1184 C GLN A 78 -3.860 10.029 -10.978 1.00 0.00 C ATOM 1185 O GLN A 78 -4.711 9.307 -11.497 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.270 12.285 -11.884 1.00 0.00 C ATOM 1187 CG GLN A 78 -3.637 13.755 -12.001 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.403 14.307 -13.393 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.307 14.191 -13.942 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.434 14.911 -13.972 1.00 0.00 N ATOM 0 H GLN A 78 -3.005 12.690 -9.468 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.149 11.733 -11.000 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.212 12.202 -11.633 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.406 11.807 -12.854 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.686 13.886 -11.734 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.051 14.330 -11.283 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.324 14.984 -13.480 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.336 15.302 -14.909 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.704 9.566 -10.513 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.362 8.151 -10.589 1.00 0.00 C ATOM 1201 C GLU A 79 -3.061 7.362 -9.485 1.00 0.00 C ATOM 1202 O GLU A 79 -3.566 6.264 -9.717 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.847 7.963 -10.483 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.075 8.584 -11.636 1.00 0.00 C ATOM 1205 CD GLU A 79 -0.461 7.998 -12.980 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -1.474 8.450 -13.554 1.00 0.00 O ATOM 1207 OE2 GLU A 79 0.248 7.088 -13.457 1.00 0.00 O ATOM 0 H GLU A 79 -1.989 10.150 -10.080 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.702 7.773 -11.553 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.500 8.400 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.624 6.897 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.251 9.660 -11.649 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.993 8.438 -11.474 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.085 7.930 -8.285 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.718 7.280 -7.144 1.00 0.00 C ATOM 1216 C TYR A 80 -5.148 6.865 -7.479 1.00 0.00 C ATOM 1217 O TYR A 80 -5.638 5.844 -6.995 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.717 8.213 -5.932 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.464 7.660 -4.740 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.842 7.484 -4.779 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.793 7.312 -3.575 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.529 6.979 -3.692 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.471 6.805 -2.483 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.839 6.641 -2.547 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.519 6.137 -1.462 1.00 0.00 O ATOM 0 H TYR A 80 -2.673 8.840 -8.077 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.145 6.385 -6.904 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.686 8.416 -5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.161 9.166 -6.218 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.385 7.747 -5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.722 7.440 -3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.600 6.850 -3.739 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.933 6.539 -1.585 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.147 6.516 -0.638 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.810 7.663 -8.309 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.182 7.379 -8.710 1.00 0.00 C ATOM 1237 C ILE A 81 -7.220 6.417 -9.893 1.00 0.00 C ATOM 1238 O ILE A 81 -7.727 5.301 -9.782 1.00 0.00 O ATOM 1239 CB ILE A 81 -7.937 8.667 -9.086 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.487 9.347 -7.830 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.062 8.357 -10.063 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.600 10.850 -7.957 1.00 0.00 C ATOM 0 H ILE A 81 -5.418 8.512 -8.717 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.673 6.918 -7.853 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.240 9.350 -9.571 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.470 8.935 -7.604 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.840 9.109 -6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.586 9.278 -10.319 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.646 7.913 -10.967 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.761 7.658 -9.603 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.997 11.265 -7.030 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.615 11.274 -8.152 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.270 11.096 -8.781 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.680 6.857 -11.024 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.649 6.034 -12.227 1.00 0.00 C ATOM 1256 C ALA A 82 -6.513 4.556 -11.877 1.00 0.00 C ATOM 1257 O ALA A 82 -7.344 3.736 -12.267 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.509 6.470 -13.136 1.00 0.00 C ATOM 0 H ALA A 82 -6.258 7.779 -11.133 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.593 6.171 -12.755 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.498 5.847 -14.030 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.650 7.512 -13.422 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.561 6.364 -12.608 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.458 4.222 -11.140 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.213 2.842 -10.738 1.00 0.00 C ATOM 1266 C VAL A 83 -6.494 2.176 -10.249 1.00 0.00 C ATOM 1267 O VAL A 83 -6.917 1.151 -10.782 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.149 2.762 -9.627 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.444 3.775 -8.531 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -4.080 1.353 -9.057 1.00 0.00 C ATOM 0 H VAL A 83 -4.760 4.888 -10.809 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.848 2.316 -11.620 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.178 3.003 -10.060 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.682 3.704 -7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.439 4.780 -8.953 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.423 3.568 -8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.323 1.314 -8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.049 1.082 -8.639 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.818 0.652 -9.850 1.00 0.00 H new ATOM 1280 N VAL A 84 -7.110 2.767 -9.229 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.345 2.233 -8.668 1.00 0.00 C ATOM 1282 C VAL A 84 -9.366 1.944 -9.763 1.00 0.00 C ATOM 1283 O VAL A 84 -10.263 1.119 -9.588 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.965 3.206 -7.647 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.876 3.911 -6.852 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.861 4.215 -8.350 1.00 0.00 C ATOM 0 H VAL A 84 -6.773 3.616 -8.775 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.086 1.303 -8.162 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.577 2.633 -6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.333 4.594 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.279 3.172 -6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.235 4.473 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.291 4.895 -7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.273 4.784 -9.070 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.662 3.690 -8.870 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.223 2.628 -10.893 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.131 2.444 -12.019 1.00 0.00 C ATOM 1298 C LYS A 85 -9.795 1.170 -12.787 1.00 0.00 C ATOM 1299 O LYS A 85 -10.685 0.474 -13.276 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.063 3.651 -12.957 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.141 4.987 -12.238 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.083 6.150 -13.213 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.377 6.281 -14.002 1.00 0.00 C ATOM 1304 NZ LYS A 85 -11.387 5.398 -15.201 1.00 0.00 N ATOM 0 H LYS A 85 -8.487 3.315 -11.053 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.144 2.353 -11.626 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.133 3.607 -13.524 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.879 3.587 -13.677 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.066 5.038 -11.664 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.319 5.067 -11.526 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.893 7.074 -12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.249 6.009 -13.901 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.221 6.031 -13.359 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.510 7.317 -14.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.644 5.956 -16.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.442 4.984 -15.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.082 4.636 -15.065 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.505 0.869 -12.888 1.00 0.00 N ATOM 1319 CA LYS A 86 -8.050 -0.323 -13.594 1.00 0.00 C ATOM 1320 C LYS A 86 -8.469 -1.588 -12.851 1.00 0.00 C ATOM 1321 O LYS A 86 -8.669 -2.640 -13.460 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.529 -0.295 -13.757 1.00 0.00 C ATOM 1323 CG LYS A 86 -6.049 0.684 -14.814 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.674 2.024 -14.204 1.00 0.00 C ATOM 1325 CE LYS A 86 -5.955 3.172 -15.162 1.00 0.00 C ATOM 1326 NZ LYS A 86 -4.803 3.431 -16.069 1.00 0.00 N ATOM 0 H LYS A 86 -7.755 1.435 -12.490 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.515 -0.331 -14.580 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.074 -0.036 -12.801 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.181 -1.295 -14.015 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.187 0.266 -15.334 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.831 0.829 -15.559 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.234 2.174 -13.281 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.617 2.021 -13.939 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.840 2.942 -15.755 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.179 4.074 -14.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.033 4.220 -16.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.965 3.676 -15.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.605 2.579 -16.631 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.601 -1.479 -11.534 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.998 -2.614 -10.708 1.00 0.00 C ATOM 1342 C LEU A 87 -10.512 -2.801 -10.730 1.00 0.00 C ATOM 1343 O LEU A 87 -11.007 -3.923 -10.840 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.518 -2.416 -9.269 1.00 0.00 C ATOM 1345 CG LEU A 87 -7.157 -1.739 -9.103 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -7.020 -1.152 -7.707 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -6.033 -2.727 -9.381 1.00 0.00 C ATOM 0 H LEU A 87 -8.439 -0.616 -11.015 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.534 -3.510 -11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.263 -1.825 -8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.478 -3.391 -8.783 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.086 -0.926 -9.825 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.045 -0.674 -7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.805 -0.413 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.112 -1.947 -6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.072 -2.228 -9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.101 -3.561 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.121 -3.100 -10.401 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.240 -1.695 -10.628 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.698 -1.736 -10.640 1.00 0.00 C ATOM 1361 C ASP A 88 -13.263 -0.709 -11.616 1.00 0.00 C ATOM 1362 O ASP A 88 -13.408 0.472 -11.299 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.248 -1.480 -9.236 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.763 -1.453 -9.204 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.373 -2.531 -9.039 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.340 -0.355 -9.343 1.00 0.00 O ATOM 0 H ASP A 88 -10.845 -0.759 -10.536 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.006 -2.729 -10.967 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.887 -2.256 -8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.863 -0.530 -8.866 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.588 -1.166 -12.835 1.00 0.00 N ATOM 1372 CA PRO A 89 -14.142 -0.304 -13.882 1.00 0.00 C ATOM 1373 C PRO A 89 -15.562 0.154 -13.567 1.00 0.00 C ATOM 1374 O PRO A 89 -16.046 1.136 -14.126 1.00 0.00 O ATOM 1375 CB PRO A 89 -14.132 -1.201 -15.123 1.00 0.00 C ATOM 1376 CG PRO A 89 -14.191 -2.589 -14.586 1.00 0.00 C ATOM 1377 CD PRO A 89 -13.442 -2.562 -13.282 1.00 0.00 C ATOM 0 HA PRO A 89 -13.567 0.615 -13.999 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.983 -0.990 -15.771 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -13.232 -1.044 -15.718 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -15.223 -2.906 -14.436 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.738 -3.296 -15.281 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.865 -3.261 -12.561 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.395 -2.835 -13.414 1.00 0.00 H new ATOM 1385 N GLY A 90 -16.224 -0.566 -12.667 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.583 -0.218 -12.293 1.00 0.00 C ATOM 1387 C GLY A 90 -17.632 0.837 -11.206 1.00 0.00 C ATOM 1388 O GLY A 90 -18.427 0.738 -10.271 1.00 0.00 O ATOM 0 H GLY A 90 -15.844 -1.384 -12.190 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -18.117 0.144 -13.171 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -18.103 -1.113 -11.951 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.781 1.849 -11.327 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.730 2.927 -10.346 1.00 0.00 C ATOM 1394 C TRP A 91 -17.003 4.275 -11.004 1.00 0.00 C ATOM 1395 O TRP A 91 -16.330 4.657 -11.960 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.367 2.950 -9.653 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.182 4.126 -8.743 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -15.984 4.487 -7.698 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.131 5.096 -8.798 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.494 5.623 -7.100 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.358 6.016 -7.755 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -13.019 5.276 -9.625 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.514 7.098 -7.521 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.182 6.351 -9.391 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.433 7.250 -8.346 1.00 0.00 C ATOM 0 H TRP A 91 -16.117 1.946 -12.095 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.505 2.744 -9.601 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -15.245 2.032 -9.078 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.583 2.959 -10.410 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -16.873 3.957 -7.387 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -15.909 6.097 -6.298 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.817 4.588 -10.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -13.706 7.793 -6.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.320 6.500 -10.024 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.760 8.080 -8.189 1.00 0.00 H new