USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 811 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 89 CYS SG : rot -103:sc= 0.595 USER MOD Set 1.2: A 93 ASN : amide:sc= -2.97! C(o=-2.4!,f=-6.3!) USER MOD Set 2.1: A 29 HIS : no HD1:sc= 1.58 K(o=2.5,f=-6.6!) USER MOD Set 2.2: A 32 TYR OH : rot -43:sc= 0.933 USER MOD Set 3.1: A 17 CYS SG : rot 106:sc= -5.72! USER MOD Set 3.2: A 67 MET CE :methyl -133:sc= -2.42 (180deg=-2.01) USER MOD Single : A 11 SER OG : rot 37:sc= 0.163 USER MOD Single : A 13 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.051) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.313 USER MOD Single : A 19 SER OG : rot -49:sc= 1.14 USER MOD Single : A 24 MET CE :methyl -138:sc= -1.43 (180deg=-1.57!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0578 USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= -0.145 (180deg=-0.667) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -166:sc=-0.00542 (180deg=-0.122) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.935 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.909 F(o=-3.2!,f=-0.91) USER MOD Single : A 58 MET CE :methyl 149:sc= -0.481 (180deg=-3.18!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 148:sc=-0.00547 (180deg=-0.63) USER MOD Single : A 72 TYR OH : rot -110:sc= -1.23 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 163:sc= -0.0615 (180deg=-0.408) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -7.23 K(o=-7.2,f=-13!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 0.00312 (180deg=-0.0644) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-3.4) USER MOD Single : A 102 MET CE :methyl -117:sc= -3.29! (180deg=-5.7!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 MET CE :methyl -165:sc=-0.000147 (180deg=-0.175) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -173:sc= -0.0079 (180deg=-0.0593) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -3.684 17.977 6.276 1.00 0.00 N ATOM 115 CA SER A 11 -4.644 18.871 5.640 1.00 0.00 C ATOM 116 C SER A 11 -6.072 18.384 5.866 1.00 0.00 C ATOM 117 O SER A 11 -6.304 17.199 6.104 1.00 0.00 O ATOM 118 CB SER A 11 -4.360 18.976 4.140 1.00 0.00 C ATOM 119 OG SER A 11 -3.004 19.311 3.900 1.00 0.00 O ATOM 0 HA SER A 11 -4.539 19.857 6.092 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.595 18.029 3.655 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.009 19.731 3.696 1.00 0.00 H new ATOM 0 HG SER A 11 -2.434 18.861 4.558 1.00 0.00 H new ATOM 125 N GLU A 12 -7.025 19.308 5.789 1.00 0.00 N ATOM 126 CA GLU A 12 -8.430 18.973 5.986 1.00 0.00 C ATOM 127 C GLU A 12 -8.780 17.662 5.289 1.00 0.00 C ATOM 128 O GLU A 12 -9.677 16.937 5.720 1.00 0.00 O ATOM 129 CB GLU A 12 -9.324 20.098 5.459 1.00 0.00 C ATOM 130 CG GLU A 12 -9.114 20.401 3.985 1.00 0.00 C ATOM 131 CD GLU A 12 -10.249 21.211 3.389 1.00 0.00 C ATOM 132 OE1 GLU A 12 -10.753 22.124 4.076 1.00 0.00 O ATOM 133 OE2 GLU A 12 -10.634 20.931 2.234 1.00 0.00 O ATOM 0 H GLU A 12 -6.849 20.293 5.592 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.602 18.853 7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.367 19.828 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.135 21.002 6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.179 20.946 3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.013 19.465 3.436 1.00 0.00 H new ATOM 140 N HIS A 13 -8.065 17.363 4.209 1.00 0.00 N ATOM 141 CA HIS A 13 -8.299 16.139 3.452 1.00 0.00 C ATOM 142 C HIS A 13 -7.568 14.959 4.087 1.00 0.00 C ATOM 143 O HIS A 13 -8.192 13.985 4.510 1.00 0.00 O ATOM 144 CB HIS A 13 -7.843 16.315 2.003 1.00 0.00 C ATOM 145 CG HIS A 13 -8.872 16.959 1.126 1.00 0.00 C ATOM 146 ND1 HIS A 13 -8.561 17.594 -0.058 1.00 0.00 N ATOM 147 CD2 HIS A 13 -10.215 17.063 1.265 1.00 0.00 C ATOM 148 CE1 HIS A 13 -9.668 18.061 -0.608 1.00 0.00 C ATOM 149 NE2 HIS A 13 -10.685 17.752 0.175 1.00 0.00 N ATOM 0 H HIS A 13 -7.319 17.952 3.839 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.369 15.932 3.466 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.935 16.918 1.987 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -7.585 15.339 1.591 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.806 16.676 2.082 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.730 18.603 -1.540 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -11.662 17.987 -0.001 1.00 0.00 H new ATOM 157 N LEU A 14 -6.245 15.054 4.150 1.00 0.00 N ATOM 158 CA LEU A 14 -5.429 13.994 4.733 1.00 0.00 C ATOM 159 C LEU A 14 -6.060 13.465 6.017 1.00 0.00 C ATOM 160 O LEU A 14 -6.275 12.262 6.165 1.00 0.00 O ATOM 161 CB LEU A 14 -4.017 14.509 5.019 1.00 0.00 C ATOM 162 CG LEU A 14 -3.043 14.484 3.841 1.00 0.00 C ATOM 163 CD1 LEU A 14 -1.833 15.360 4.130 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.610 13.058 3.536 1.00 0.00 C ATOM 0 H LEU A 14 -5.714 15.854 3.805 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.372 13.176 4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.092 15.534 5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.592 13.915 5.829 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.554 14.882 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.151 15.330 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.159 16.387 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.321 14.992 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.917 13.060 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.118 12.632 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.485 12.458 3.284 1.00 0.00 H new ATOM 176 N ARG A 15 -6.356 14.373 6.942 1.00 0.00 N ATOM 177 CA ARG A 15 -6.963 13.998 8.213 1.00 0.00 C ATOM 178 C ARG A 15 -7.938 12.838 8.029 1.00 0.00 C ATOM 179 O ARG A 15 -8.002 11.930 8.858 1.00 0.00 O ATOM 180 CB ARG A 15 -7.689 15.195 8.829 1.00 0.00 C ATOM 181 CG ARG A 15 -6.753 16.286 9.323 1.00 0.00 C ATOM 182 CD ARG A 15 -7.511 17.379 10.060 1.00 0.00 C ATOM 183 NE ARG A 15 -6.616 18.253 10.814 1.00 0.00 N ATOM 184 CZ ARG A 15 -7.026 19.325 11.482 1.00 0.00 C ATOM 185 NH1 ARG A 15 -8.311 19.653 11.491 1.00 0.00 N ATOM 186 NH2 ARG A 15 -6.151 20.071 12.145 1.00 0.00 N ATOM 0 H ARG A 15 -6.185 15.373 6.835 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.168 13.678 8.886 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.368 15.618 8.088 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.301 14.849 9.662 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.004 15.852 9.985 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.219 16.719 8.477 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.079 17.973 9.344 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.232 16.925 10.740 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.621 18.028 10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.987 19.081 10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.623 20.477 12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.162 19.821 12.142 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.468 20.894 12.658 1.00 0.00 H new ATOM 200 N TYR A 16 -8.695 12.877 6.939 1.00 0.00 N ATOM 201 CA TYR A 16 -9.669 11.831 6.647 1.00 0.00 C ATOM 202 C TYR A 16 -8.984 10.593 6.077 1.00 0.00 C ATOM 203 O TYR A 16 -9.172 9.482 6.575 1.00 0.00 O ATOM 204 CB TYR A 16 -10.721 12.345 5.662 1.00 0.00 C ATOM 205 CG TYR A 16 -11.740 11.301 5.266 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.388 10.231 4.453 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.056 11.385 5.706 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.316 9.275 4.088 1.00 0.00 C ATOM 209 CE2 TYR A 16 -13.991 10.433 5.347 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.616 9.380 4.538 1.00 0.00 C ATOM 211 OH TYR A 16 -14.544 8.430 4.177 1.00 0.00 O ATOM 0 H TYR A 16 -8.654 13.621 6.243 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.159 11.555 7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.238 13.195 6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.220 12.710 4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.371 10.145 4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.353 12.208 6.339 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.026 8.450 3.454 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.009 10.513 5.698 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.411 8.650 4.578 1.00 0.00 H new ATOM 221 N CYS A 17 -8.190 10.792 5.032 1.00 0.00 N ATOM 222 CA CYS A 17 -7.476 9.692 4.393 1.00 0.00 C ATOM 223 C CYS A 17 -6.750 8.841 5.428 1.00 0.00 C ATOM 224 O CYS A 17 -6.532 7.647 5.223 1.00 0.00 O ATOM 225 CB CYS A 17 -6.478 10.232 3.367 1.00 0.00 C ATOM 226 SG CYS A 17 -4.858 10.640 4.058 1.00 0.00 S ATOM 0 H CYS A 17 -8.024 11.705 4.608 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.207 9.065 3.883 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.348 9.492 2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.898 11.124 2.902 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.996 9.731 3.709 1.00 0.00 H new ATOM 232 N ASP A 18 -6.375 9.463 6.541 1.00 0.00 N ATOM 233 CA ASP A 18 -5.672 8.763 7.609 1.00 0.00 C ATOM 234 C ASP A 18 -6.527 7.631 8.171 1.00 0.00 C ATOM 235 O ASP A 18 -6.058 6.503 8.323 1.00 0.00 O ATOM 236 CB ASP A 18 -5.296 9.738 8.726 1.00 0.00 C ATOM 237 CG ASP A 18 -4.243 9.173 9.659 1.00 0.00 C ATOM 238 OD1 ASP A 18 -4.214 7.938 9.840 1.00 0.00 O ATOM 239 OD2 ASP A 18 -3.449 9.965 10.207 1.00 0.00 O ATOM 0 H ASP A 18 -6.547 10.451 6.727 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.762 8.334 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.928 10.665 8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.188 9.990 9.300 1.00 0.00 H new ATOM 244 N SER A 19 -7.782 7.941 8.480 1.00 0.00 N ATOM 245 CA SER A 19 -8.700 6.951 9.031 1.00 0.00 C ATOM 246 C SER A 19 -8.779 5.723 8.129 1.00 0.00 C ATOM 247 O SER A 19 -8.775 4.588 8.607 1.00 0.00 O ATOM 248 CB SER A 19 -10.093 7.559 9.206 1.00 0.00 C ATOM 249 OG SER A 19 -10.660 7.907 7.955 1.00 0.00 O ATOM 0 H SER A 19 -8.186 8.870 8.358 1.00 0.00 H new ATOM 0 HA SER A 19 -8.321 6.642 10.005 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.742 6.848 9.717 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.030 8.444 9.839 1.00 0.00 H new ATOM 0 HG SER A 19 -10.012 8.428 7.436 1.00 0.00 H new ATOM 255 N ILE A 20 -8.851 5.959 6.824 1.00 0.00 N ATOM 256 CA ILE A 20 -8.930 4.873 5.855 1.00 0.00 C ATOM 257 C ILE A 20 -7.821 3.852 6.082 1.00 0.00 C ATOM 258 O ILE A 20 -8.007 2.655 5.857 1.00 0.00 O ATOM 259 CB ILE A 20 -8.840 5.399 4.410 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.918 6.455 4.161 1.00 0.00 C ATOM 261 CG2 ILE A 20 -8.974 4.253 3.419 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.767 7.173 2.838 1.00 0.00 C ATOM 0 H ILE A 20 -8.856 6.892 6.413 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.898 4.393 5.998 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.864 5.863 4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.897 5.978 4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.891 7.187 4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.908 4.641 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.173 3.533 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.937 3.762 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.565 7.907 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.802 7.679 2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.824 6.451 2.024 1.00 0.00 H new ATOM 274 N LEU A 21 -6.666 4.331 6.531 1.00 0.00 N ATOM 275 CA LEU A 21 -5.525 3.460 6.792 1.00 0.00 C ATOM 276 C LEU A 21 -5.818 2.511 7.950 1.00 0.00 C ATOM 277 O LEU A 21 -5.417 1.347 7.929 1.00 0.00 O ATOM 278 CB LEU A 21 -4.282 4.295 7.103 1.00 0.00 C ATOM 279 CG LEU A 21 -3.029 3.511 7.496 1.00 0.00 C ATOM 280 CD1 LEU A 21 -2.676 2.494 6.421 1.00 0.00 C ATOM 281 CD2 LEU A 21 -1.863 4.458 7.740 1.00 0.00 C ATOM 0 H LEU A 21 -6.495 5.318 6.722 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.341 2.865 5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.048 4.901 6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.524 4.984 7.912 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.235 2.974 8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.782 1.946 6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.504 1.796 6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.489 3.010 5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.980 3.883 8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.657 5.023 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.116 5.147 8.546 1.00 0.00 H new ATOM 293 N ARG A 22 -6.521 3.017 8.959 1.00 0.00 N ATOM 294 CA ARG A 22 -6.868 2.214 10.125 1.00 0.00 C ATOM 295 C ARG A 22 -7.927 1.173 9.774 1.00 0.00 C ATOM 296 O ARG A 22 -7.712 -0.026 9.944 1.00 0.00 O ATOM 297 CB ARG A 22 -7.375 3.111 11.256 1.00 0.00 C ATOM 298 CG ARG A 22 -6.553 4.376 11.445 1.00 0.00 C ATOM 299 CD ARG A 22 -7.398 5.513 11.997 1.00 0.00 C ATOM 300 NE ARG A 22 -6.839 6.821 11.669 1.00 0.00 N ATOM 301 CZ ARG A 22 -7.136 7.934 12.329 1.00 0.00 C ATOM 302 NH1 ARG A 22 -7.983 7.898 13.349 1.00 0.00 N ATOM 303 NH2 ARG A 22 -6.586 9.087 11.970 1.00 0.00 N ATOM 0 H ARG A 22 -6.861 3.978 8.992 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.969 1.695 10.457 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.410 3.387 11.053 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.373 2.544 12.187 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.724 4.175 12.124 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.118 4.674 10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.409 5.440 11.596 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.476 5.414 13.080 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.184 6.883 10.890 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.408 7.014 13.628 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.209 8.755 13.854 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.934 9.119 11.186 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.815 9.941 12.478 1.00 0.00 H new ATOM 317 N GLU A 23 -9.070 1.643 9.283 1.00 0.00 N ATOM 318 CA GLU A 23 -10.163 0.752 8.909 1.00 0.00 C ATOM 319 C GLU A 23 -9.640 -0.456 8.138 1.00 0.00 C ATOM 320 O GLU A 23 -10.027 -1.593 8.408 1.00 0.00 O ATOM 321 CB GLU A 23 -11.195 1.502 8.065 1.00 0.00 C ATOM 322 CG GLU A 23 -11.882 0.630 7.027 1.00 0.00 C ATOM 323 CD GLU A 23 -12.786 -0.416 7.651 1.00 0.00 C ATOM 324 OE1 GLU A 23 -12.548 -0.784 8.820 1.00 0.00 O ATOM 325 OE2 GLU A 23 -13.731 -0.866 6.970 1.00 0.00 O ATOM 0 H GLU A 23 -9.263 2.634 9.135 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.640 0.399 9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.950 1.930 8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.704 2.334 7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.469 1.260 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.127 0.135 6.416 1.00 0.00 H new ATOM 332 N MET A 24 -8.758 -0.201 7.176 1.00 0.00 N ATOM 333 CA MET A 24 -8.182 -1.268 6.366 1.00 0.00 C ATOM 334 C MET A 24 -7.417 -2.260 7.237 1.00 0.00 C ATOM 335 O MET A 24 -7.365 -3.453 6.937 1.00 0.00 O ATOM 336 CB MET A 24 -7.251 -0.683 5.302 1.00 0.00 C ATOM 337 CG MET A 24 -7.987 -0.030 4.143 1.00 0.00 C ATOM 338 SD MET A 24 -7.050 1.318 3.396 1.00 0.00 S ATOM 339 CE MET A 24 -5.516 0.483 2.998 1.00 0.00 C ATOM 0 H MET A 24 -8.427 0.734 6.939 1.00 0.00 H new ATOM 0 HA MET A 24 -8.998 -1.797 5.874 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.598 0.054 5.768 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.611 -1.476 4.915 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.202 -0.782 3.384 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.946 0.351 4.495 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.675 1.130 3.245 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.445 -0.440 3.573 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.494 0.250 1.933 1.00 0.00 H new ATOM 349 N LEU A 25 -6.826 -1.759 8.316 1.00 0.00 N ATOM 350 CA LEU A 25 -6.064 -2.602 9.231 1.00 0.00 C ATOM 351 C LEU A 25 -6.982 -3.267 10.252 1.00 0.00 C ATOM 352 O LEU A 25 -6.573 -3.552 11.377 1.00 0.00 O ATOM 353 CB LEU A 25 -4.998 -1.773 9.951 1.00 0.00 C ATOM 354 CG LEU A 25 -3.764 -1.406 9.126 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.930 -0.361 9.850 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.932 -2.646 8.831 1.00 0.00 C ATOM 0 H LEU A 25 -6.860 -0.774 8.579 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.576 -3.382 8.646 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.461 -0.852 10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.671 -2.325 10.832 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.096 -0.982 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.056 -0.112 9.248 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.529 0.536 10.009 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.607 -0.757 10.813 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.058 -2.366 8.243 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.609 -3.099 9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.533 -3.362 8.270 1.00 0.00 H new ATOM 368 N SER A 26 -8.225 -3.513 9.850 1.00 0.00 N ATOM 369 CA SER A 26 -9.202 -4.143 10.731 1.00 0.00 C ATOM 370 C SER A 26 -9.184 -5.660 10.565 1.00 0.00 C ATOM 371 O SER A 26 -8.785 -6.178 9.522 1.00 0.00 O ATOM 372 CB SER A 26 -10.604 -3.604 10.440 1.00 0.00 C ATOM 373 OG SER A 26 -11.591 -4.350 11.131 1.00 0.00 O ATOM 0 H SER A 26 -8.579 -3.286 8.921 1.00 0.00 H new ATOM 0 HA SER A 26 -8.934 -3.904 11.760 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.663 -2.556 10.735 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.797 -3.645 9.368 1.00 0.00 H new ATOM 0 HG SER A 26 -12.478 -3.985 10.930 1.00 0.00 H new ATOM 379 N LYS A 27 -9.620 -6.367 11.602 1.00 0.00 N ATOM 380 CA LYS A 27 -9.656 -7.824 11.573 1.00 0.00 C ATOM 381 C LYS A 27 -10.454 -8.325 10.373 1.00 0.00 C ATOM 382 O LYS A 27 -9.986 -9.176 9.615 1.00 0.00 O ATOM 383 CB LYS A 27 -10.269 -8.365 12.867 1.00 0.00 C ATOM 384 CG LYS A 27 -9.272 -8.488 14.007 1.00 0.00 C ATOM 385 CD LYS A 27 -9.171 -7.197 14.802 1.00 0.00 C ATOM 386 CE LYS A 27 -7.840 -7.094 15.531 1.00 0.00 C ATOM 387 NZ LYS A 27 -6.692 -7.043 14.584 1.00 0.00 N ATOM 0 H LYS A 27 -9.953 -5.954 12.473 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.632 -8.186 11.483 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.082 -7.709 13.176 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.706 -9.344 12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.573 -9.301 14.668 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.292 -8.748 13.608 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.287 -6.346 14.131 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.987 -7.148 15.523 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.836 -6.200 16.155 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.724 -7.949 16.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.894 -6.550 15.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.405 -8.011 14.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.974 -6.532 13.723 1.00 0.00 H new ATOM 401 N LYS A 28 -11.659 -7.793 10.205 1.00 0.00 N ATOM 402 CA LYS A 28 -12.521 -8.183 9.096 1.00 0.00 C ATOM 403 C LYS A 28 -11.742 -8.208 7.785 1.00 0.00 C ATOM 404 O LYS A 28 -11.627 -9.251 7.139 1.00 0.00 O ATOM 405 CB LYS A 28 -13.705 -7.221 8.980 1.00 0.00 C ATOM 406 CG LYS A 28 -14.742 -7.652 7.957 1.00 0.00 C ATOM 407 CD LYS A 28 -15.839 -6.613 7.802 1.00 0.00 C ATOM 408 CE LYS A 28 -16.607 -6.802 6.503 1.00 0.00 C ATOM 409 NZ LYS A 28 -17.634 -5.741 6.306 1.00 0.00 N ATOM 0 H LYS A 28 -12.062 -7.089 10.824 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.896 -9.187 9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.185 -7.130 9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.333 -6.232 8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.258 -7.817 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.180 -8.603 8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.526 -6.680 8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.402 -5.615 7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.910 -6.793 5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.090 -7.779 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.135 -5.905 5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.314 -5.766 7.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.171 -4.810 6.278 1.00 0.00 H new ATOM 423 N HIS A 29 -11.208 -7.055 7.397 1.00 0.00 N ATOM 424 CA HIS A 29 -10.437 -6.946 6.163 1.00 0.00 C ATOM 425 C HIS A 29 -9.178 -7.804 6.231 1.00 0.00 C ATOM 426 O HIS A 29 -8.774 -8.410 5.239 1.00 0.00 O ATOM 427 CB HIS A 29 -10.061 -5.487 5.899 1.00 0.00 C ATOM 428 CG HIS A 29 -11.243 -4.592 5.689 1.00 0.00 C ATOM 429 ND1 HIS A 29 -12.363 -4.978 4.982 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.477 -3.324 6.098 1.00 0.00 C ATOM 431 CE1 HIS A 29 -13.233 -3.984 4.965 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.720 -2.969 5.635 1.00 0.00 N ATOM 0 H HIS A 29 -11.295 -6.183 7.919 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.057 -7.308 5.343 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.477 -5.113 6.740 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.419 -5.439 5.019 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.810 -2.706 6.681 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.200 -3.999 4.484 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.173 -2.068 5.784 1.00 0.00 H new ATOM 440 N ALA A 30 -8.562 -7.851 7.408 1.00 0.00 N ATOM 441 CA ALA A 30 -7.350 -8.636 7.605 1.00 0.00 C ATOM 442 C ALA A 30 -7.369 -9.900 6.752 1.00 0.00 C ATOM 443 O ALA A 30 -6.365 -10.263 6.142 1.00 0.00 O ATOM 444 CB ALA A 30 -7.185 -8.991 9.075 1.00 0.00 C ATOM 0 H ALA A 30 -8.883 -7.355 8.239 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.500 -8.031 7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.276 -9.577 9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.117 -8.077 9.665 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.044 -9.574 9.407 1.00 0.00 H new ATOM 450 N ALA A 31 -8.519 -10.565 6.716 1.00 0.00 N ATOM 451 CA ALA A 31 -8.669 -11.788 5.936 1.00 0.00 C ATOM 452 C ALA A 31 -8.041 -11.639 4.555 1.00 0.00 C ATOM 453 O ALA A 31 -7.260 -12.488 4.123 1.00 0.00 O ATOM 454 CB ALA A 31 -10.140 -12.157 5.812 1.00 0.00 C ATOM 0 H ALA A 31 -9.360 -10.278 7.217 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.147 -12.589 6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.238 -13.072 5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.561 -12.314 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.677 -11.349 5.314 1.00 0.00 H new ATOM 460 N TYR A 32 -8.386 -10.557 3.866 1.00 0.00 N ATOM 461 CA TYR A 32 -7.857 -10.299 2.532 1.00 0.00 C ATOM 462 C TYR A 32 -7.017 -9.026 2.516 1.00 0.00 C ATOM 463 O TYR A 32 -6.877 -8.375 1.481 1.00 0.00 O ATOM 464 CB TYR A 32 -9.000 -10.183 1.522 1.00 0.00 C ATOM 465 CG TYR A 32 -10.198 -9.424 2.047 1.00 0.00 C ATOM 466 CD1 TYR A 32 -10.244 -8.036 1.993 1.00 0.00 C ATOM 467 CD2 TYR A 32 -11.283 -10.094 2.597 1.00 0.00 C ATOM 468 CE1 TYR A 32 -11.335 -7.339 2.472 1.00 0.00 C ATOM 469 CE2 TYR A 32 -12.380 -9.405 3.078 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.401 -8.027 3.014 1.00 0.00 C ATOM 471 OH TYR A 32 -13.491 -7.336 3.491 1.00 0.00 O ATOM 0 H TYR A 32 -9.030 -9.844 4.209 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.218 -11.137 2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.631 -9.687 0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.315 -11.184 1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.412 -7.493 1.569 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.269 -11.173 2.650 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.354 -6.260 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.216 -9.942 3.501 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.187 -6.559 4.005 1.00 0.00 H new ATOM 481 N ALA A 33 -6.459 -8.678 3.671 1.00 0.00 N ATOM 482 CA ALA A 33 -5.630 -7.485 3.790 1.00 0.00 C ATOM 483 C ALA A 33 -4.298 -7.807 4.459 1.00 0.00 C ATOM 484 O ALA A 33 -3.422 -6.949 4.562 1.00 0.00 O ATOM 485 CB ALA A 33 -6.368 -6.406 4.569 1.00 0.00 C ATOM 0 H ALA A 33 -6.566 -9.205 4.537 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.422 -7.115 2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.738 -5.521 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.290 -6.148 4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.605 -6.775 5.567 1.00 0.00 H new ATOM 491 N TRP A 34 -4.154 -9.046 4.914 1.00 0.00 N ATOM 492 CA TRP A 34 -2.929 -9.480 5.574 1.00 0.00 C ATOM 493 C TRP A 34 -1.810 -9.694 4.561 1.00 0.00 C ATOM 494 O TRP A 34 -0.627 -9.518 4.854 1.00 0.00 O ATOM 495 CB TRP A 34 -3.177 -10.770 6.358 1.00 0.00 C ATOM 496 CG TRP A 34 -3.385 -11.967 5.480 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.572 -12.585 5.205 1.00 0.00 C ATOM 498 CD2 TRP A 34 -2.378 -12.692 4.766 1.00 0.00 C ATOM 499 NE1 TRP A 34 -4.363 -13.650 4.362 1.00 0.00 N ATOM 500 CE2 TRP A 34 -3.025 -13.737 4.078 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.992 -12.560 4.640 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -2.333 -14.641 3.277 1.00 0.00 C ATOM 503 CZ3 TRP A 34 -0.307 -13.459 3.845 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.978 -14.488 3.171 1.00 0.00 C ATOM 0 H TRP A 34 -4.871 -9.768 4.838 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.622 -8.696 6.266 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -2.329 -10.955 7.017 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -4.052 -10.638 6.994 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.533 -12.281 5.593 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -5.086 -14.274 4.005 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.466 -11.770 5.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.848 -15.435 2.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 0.764 -13.367 3.741 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.414 -15.174 2.556 1.00 0.00 H new ATOM 515 N PRO A 35 -2.188 -10.082 3.334 1.00 0.00 N ATOM 516 CA PRO A 35 -1.139 -10.297 2.332 1.00 0.00 C ATOM 517 C PRO A 35 -0.144 -9.143 2.277 1.00 0.00 C ATOM 518 O PRO A 35 0.966 -9.291 1.767 1.00 0.00 O ATOM 519 CB PRO A 35 -1.919 -10.394 1.018 1.00 0.00 C ATOM 520 CG PRO A 35 -3.275 -10.866 1.417 1.00 0.00 C ATOM 521 CD PRO A 35 -3.533 -10.342 2.796 1.00 0.00 C ATOM 0 HA PRO A 35 -0.538 -11.179 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.968 -9.429 0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.445 -11.090 0.326 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.030 -10.504 0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.324 -11.955 1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.136 -9.434 2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.073 -11.067 3.404 1.00 0.00 H new ATOM 529 N PHE A 36 -0.550 -7.993 2.806 1.00 0.00 N ATOM 530 CA PHE A 36 0.307 -6.813 2.816 1.00 0.00 C ATOM 531 C PHE A 36 0.893 -6.578 4.206 1.00 0.00 C ATOM 532 O PHE A 36 2.001 -6.061 4.345 1.00 0.00 O ATOM 533 CB PHE A 36 -0.482 -5.580 2.369 1.00 0.00 C ATOM 534 CG PHE A 36 -1.151 -5.749 1.035 1.00 0.00 C ATOM 535 CD1 PHE A 36 -2.314 -6.494 0.918 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.619 -5.163 -0.102 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.931 -6.652 -0.309 1.00 0.00 C ATOM 538 CE2 PHE A 36 -1.232 -5.316 -1.331 1.00 0.00 C ATOM 539 CZ PHE A 36 -2.391 -6.061 -1.434 1.00 0.00 C ATOM 0 H PHE A 36 -1.466 -7.853 3.233 1.00 0.00 H new ATOM 0 HA PHE A 36 1.127 -6.984 2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.238 -5.351 3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.192 -4.724 2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.743 -6.956 1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.286 -4.579 -0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.835 -7.238 -0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.806 -4.854 -2.209 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.874 -6.181 -2.393 1.00 0.00 H new ATOM 549 N TYR A 37 0.140 -6.962 5.231 1.00 0.00 N ATOM 550 CA TYR A 37 0.582 -6.791 6.610 1.00 0.00 C ATOM 551 C TYR A 37 2.090 -6.989 6.727 1.00 0.00 C ATOM 552 O TYR A 37 2.823 -6.069 7.091 1.00 0.00 O ATOM 553 CB TYR A 37 -0.145 -7.776 7.526 1.00 0.00 C ATOM 554 CG TYR A 37 -1.435 -7.232 8.098 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.341 -6.550 7.295 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.747 -7.399 9.442 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.520 -6.051 7.813 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.925 -6.904 9.968 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.808 -6.231 9.150 1.00 0.00 C ATOM 560 OH TYR A 37 -4.981 -5.735 9.670 1.00 0.00 O ATOM 0 H TYR A 37 -0.779 -7.394 5.133 1.00 0.00 H new ATOM 0 HA TYR A 37 0.342 -5.773 6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.361 -8.687 6.968 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.518 -8.054 8.346 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.119 -6.408 6.248 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.057 -7.924 10.086 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.213 -5.523 7.175 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.153 -7.043 11.014 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.031 -5.948 10.625 1.00 0.00 H new ATOM 570 N LYS A 38 2.548 -8.196 6.414 1.00 0.00 N ATOM 571 CA LYS A 38 3.969 -8.517 6.481 1.00 0.00 C ATOM 572 C LYS A 38 4.709 -7.966 5.266 1.00 0.00 C ATOM 573 O LYS A 38 4.204 -7.978 4.143 1.00 0.00 O ATOM 574 CB LYS A 38 4.166 -10.032 6.567 1.00 0.00 C ATOM 575 CG LYS A 38 3.476 -10.669 7.761 1.00 0.00 C ATOM 576 CD LYS A 38 3.928 -12.104 7.967 1.00 0.00 C ATOM 577 CE LYS A 38 3.188 -13.060 7.044 1.00 0.00 C ATOM 578 NZ LYS A 38 1.778 -13.267 7.476 1.00 0.00 N ATOM 0 H LYS A 38 1.955 -8.969 6.111 1.00 0.00 H new ATOM 0 HA LYS A 38 4.380 -8.051 7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.789 -10.491 5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.233 -10.249 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.689 -10.087 8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.396 -10.644 7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.000 -12.178 7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.759 -12.394 9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.203 -12.668 6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.706 -14.019 7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.380 -14.089 6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.750 -13.436 8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.218 -12.421 7.249 1.00 0.00 H new ATOM 592 N PRO A 39 5.935 -7.473 5.493 1.00 0.00 N ATOM 593 CA PRO A 39 6.772 -6.911 4.429 1.00 0.00 C ATOM 594 C PRO A 39 7.273 -7.977 3.461 1.00 0.00 C ATOM 595 O PRO A 39 6.945 -9.156 3.595 1.00 0.00 O ATOM 596 CB PRO A 39 7.944 -6.287 5.191 1.00 0.00 C ATOM 597 CG PRO A 39 8.017 -7.053 6.467 1.00 0.00 C ATOM 598 CD PRO A 39 6.600 -7.427 6.806 1.00 0.00 C ATOM 0 HA PRO A 39 6.222 -6.202 3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.872 -6.370 4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.776 -5.226 5.375 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.639 -7.941 6.354 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.462 -6.451 7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.549 -8.389 7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.137 -6.692 7.465 1.00 0.00 H new ATOM 606 N VAL A 40 8.070 -7.555 2.484 1.00 0.00 N ATOM 607 CA VAL A 40 8.618 -8.474 1.494 1.00 0.00 C ATOM 608 C VAL A 40 10.143 -8.445 1.501 1.00 0.00 C ATOM 609 O VAL A 40 10.765 -7.775 0.677 1.00 0.00 O ATOM 610 CB VAL A 40 8.116 -8.138 0.077 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.696 -9.109 -0.939 1.00 0.00 C ATOM 612 CG2 VAL A 40 6.595 -8.153 0.034 1.00 0.00 C ATOM 0 H VAL A 40 8.350 -6.582 2.357 1.00 0.00 H new ATOM 0 HA VAL A 40 8.275 -9.472 1.766 1.00 0.00 H new ATOM 0 HB VAL A 40 8.454 -7.135 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.330 -8.856 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.784 -9.044 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.390 -10.125 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.257 -7.914 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.233 -9.143 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.204 -7.414 0.733 1.00 0.00 H new ATOM 622 N ASP A 41 10.739 -9.176 2.437 1.00 0.00 N ATOM 623 CA ASP A 41 12.191 -9.235 2.551 1.00 0.00 C ATOM 624 C ASP A 41 12.774 -10.230 1.552 1.00 0.00 C ATOM 625 O ASP A 41 12.479 -11.424 1.606 1.00 0.00 O ATOM 626 CB ASP A 41 12.597 -9.624 3.973 1.00 0.00 C ATOM 627 CG ASP A 41 13.995 -9.154 4.326 1.00 0.00 C ATOM 628 OD1 ASP A 41 14.892 -9.266 3.465 1.00 0.00 O ATOM 629 OD2 ASP A 41 14.191 -8.675 5.462 1.00 0.00 O ATOM 0 H ASP A 41 10.239 -9.736 3.127 1.00 0.00 H new ATOM 0 HA ASP A 41 12.589 -8.246 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.885 -9.199 4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.544 -10.707 4.079 1.00 0.00 H new ATOM 634 N ALA A 42 13.603 -9.730 0.641 1.00 0.00 N ATOM 635 CA ALA A 42 14.228 -10.575 -0.369 1.00 0.00 C ATOM 636 C ALA A 42 15.421 -11.329 0.208 1.00 0.00 C ATOM 637 O ALA A 42 15.581 -12.527 -0.025 1.00 0.00 O ATOM 638 CB ALA A 42 14.658 -9.737 -1.564 1.00 0.00 C ATOM 0 H ALA A 42 13.857 -8.744 0.582 1.00 0.00 H new ATOM 0 HA ALA A 42 13.493 -11.309 -0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 42 15.123 -10.380 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.786 -9.248 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.373 -8.981 -1.240 1.00 0.00 H new ATOM 751 N TYR A 50 13.316 -10.541 -6.678 1.00 0.00 N ATOM 752 CA TYR A 50 12.285 -9.711 -6.067 1.00 0.00 C ATOM 753 C TYR A 50 12.318 -8.295 -6.634 1.00 0.00 C ATOM 754 O TYR A 50 11.378 -7.858 -7.299 1.00 0.00 O ATOM 755 CB TYR A 50 12.468 -9.669 -4.549 1.00 0.00 C ATOM 756 CG TYR A 50 11.602 -8.636 -3.863 1.00 0.00 C ATOM 757 CD1 TYR A 50 10.264 -8.484 -4.207 1.00 0.00 C ATOM 758 CD2 TYR A 50 12.122 -7.812 -2.872 1.00 0.00 C ATOM 759 CE1 TYR A 50 9.470 -7.542 -3.584 1.00 0.00 C ATOM 760 CE2 TYR A 50 11.334 -6.868 -2.243 1.00 0.00 C ATOM 761 CZ TYR A 50 10.009 -6.736 -2.602 1.00 0.00 C ATOM 762 OH TYR A 50 9.221 -5.796 -1.978 1.00 0.00 O ATOM 0 HA TYR A 50 11.315 -10.152 -6.297 1.00 0.00 H new ATOM 0 HB2 TYR A 50 12.242 -10.652 -4.137 1.00 0.00 H new ATOM 0 HB3 TYR A 50 13.514 -9.462 -4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.838 -9.113 -4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 50 13.160 -7.911 -2.589 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.432 -7.436 -3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 50 11.753 -6.236 -1.474 1.00 0.00 H new ATOM 0 HH TYR A 50 9.753 -5.313 -1.311 1.00 0.00 H new ATOM 772 N HIS A 51 13.408 -7.583 -6.367 1.00 0.00 N ATOM 773 CA HIS A 51 13.566 -6.216 -6.851 1.00 0.00 C ATOM 774 C HIS A 51 13.415 -6.157 -8.368 1.00 0.00 C ATOM 775 O HIS A 51 12.713 -5.295 -8.898 1.00 0.00 O ATOM 776 CB HIS A 51 14.930 -5.662 -6.440 1.00 0.00 C ATOM 777 CG HIS A 51 15.031 -5.337 -4.982 1.00 0.00 C ATOM 778 ND1 HIS A 51 14.186 -4.450 -4.348 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.882 -5.789 -4.031 1.00 0.00 C ATOM 780 CE1 HIS A 51 14.515 -4.368 -3.071 1.00 0.00 C ATOM 781 NE2 HIS A 51 15.540 -5.172 -2.853 1.00 0.00 N ATOM 0 H HIS A 51 14.195 -7.930 -5.818 1.00 0.00 H new ATOM 0 HA HIS A 51 12.784 -5.604 -6.402 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.700 -6.390 -6.696 1.00 0.00 H new ATOM 0 HB3 HIS A 51 15.137 -4.762 -7.019 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.681 -6.502 -4.173 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.029 -3.749 -2.331 1.00 0.00 H new ATOM 0 HE2 HIS A 51 16.003 -5.312 -1.955 1.00 0.00 H new ATOM 789 N ASP A 52 14.078 -7.076 -9.060 1.00 0.00 N ATOM 790 CA ASP A 52 14.017 -7.128 -10.516 1.00 0.00 C ATOM 791 C ASP A 52 12.603 -6.841 -11.012 1.00 0.00 C ATOM 792 O ASP A 52 12.401 -6.002 -11.890 1.00 0.00 O ATOM 793 CB ASP A 52 14.479 -8.497 -11.019 1.00 0.00 C ATOM 794 CG ASP A 52 15.960 -8.728 -10.790 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.775 -7.993 -11.387 1.00 0.00 O ATOM 796 OD2 ASP A 52 16.304 -9.643 -10.014 1.00 0.00 O ATOM 0 H ASP A 52 14.664 -7.795 -8.636 1.00 0.00 H new ATOM 0 HA ASP A 52 14.684 -6.361 -10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 52 13.910 -9.277 -10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.261 -8.582 -12.084 1.00 0.00 H new ATOM 801 N ILE A 53 11.629 -7.545 -10.445 1.00 0.00 N ATOM 802 CA ILE A 53 10.235 -7.365 -10.829 1.00 0.00 C ATOM 803 C ILE A 53 9.635 -6.131 -10.164 1.00 0.00 C ATOM 804 O ILE A 53 8.930 -5.350 -10.803 1.00 0.00 O ATOM 805 CB ILE A 53 9.386 -8.597 -10.461 1.00 0.00 C ATOM 806 CG1 ILE A 53 9.921 -9.843 -11.169 1.00 0.00 C ATOM 807 CG2 ILE A 53 7.927 -8.361 -10.821 1.00 0.00 C ATOM 808 CD1 ILE A 53 9.684 -11.124 -10.400 1.00 0.00 C ATOM 0 H ILE A 53 11.780 -8.245 -9.718 1.00 0.00 H new ATOM 0 HA ILE A 53 10.221 -7.234 -11.911 1.00 0.00 H new ATOM 0 HB ILE A 53 9.453 -8.758 -9.385 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.450 -9.925 -12.149 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.991 -9.723 -11.339 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.340 -9.240 -10.555 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.553 -7.496 -10.274 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.842 -8.178 -11.892 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.089 -11.966 -10.962 1.00 0.00 H new ATOM 0 HD12 ILE A 53 10.178 -11.063 -9.430 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.614 -11.267 -10.253 1.00 0.00 H new ATOM 820 N ILE A 54 9.922 -5.961 -8.878 1.00 0.00 N ATOM 821 CA ILE A 54 9.414 -4.820 -8.127 1.00 0.00 C ATOM 822 C ILE A 54 10.488 -3.751 -7.958 1.00 0.00 C ATOM 823 O ILE A 54 11.475 -3.952 -7.250 1.00 0.00 O ATOM 824 CB ILE A 54 8.904 -5.243 -6.736 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.804 -6.298 -6.872 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.393 -4.033 -5.969 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.617 -5.832 -7.686 1.00 0.00 C ATOM 0 H ILE A 54 10.504 -6.599 -8.335 1.00 0.00 H new ATOM 0 HA ILE A 54 8.583 -4.410 -8.701 1.00 0.00 H new ATOM 0 HB ILE A 54 9.733 -5.679 -6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.224 -7.191 -7.335 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.462 -6.585 -5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.036 -4.348 -4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.201 -3.312 -5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.575 -3.571 -6.522 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.877 -6.631 -7.740 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.172 -4.957 -7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.945 -5.572 -8.692 1.00 0.00 H new ATOM 839 N LYS A 55 10.289 -2.611 -8.611 1.00 0.00 N ATOM 840 CA LYS A 55 11.238 -1.507 -8.532 1.00 0.00 C ATOM 841 C LYS A 55 10.998 -0.673 -7.278 1.00 0.00 C ATOM 842 O LYS A 55 11.927 -0.397 -6.517 1.00 0.00 O ATOM 843 CB LYS A 55 11.126 -0.622 -9.775 1.00 0.00 C ATOM 844 CG LYS A 55 11.650 -1.280 -11.040 1.00 0.00 C ATOM 845 CD LYS A 55 13.115 -0.954 -11.273 1.00 0.00 C ATOM 846 CE LYS A 55 14.024 -2.032 -10.703 1.00 0.00 C ATOM 847 NZ LYS A 55 15.326 -1.474 -10.243 1.00 0.00 N ATOM 0 H LYS A 55 9.478 -2.428 -9.202 1.00 0.00 H new ATOM 0 HA LYS A 55 12.243 -1.927 -8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.081 -0.349 -9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.676 0.303 -9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.524 -2.360 -10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.062 -0.947 -11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.300 -0.849 -12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.353 0.005 -10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.525 -2.524 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.203 -2.794 -11.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.917 -2.240 -9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.815 -1.027 -11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.157 -0.765 -9.501 1.00 0.00 H new ATOM 861 N HIS A 56 9.748 -0.275 -7.067 1.00 0.00 N ATOM 862 CA HIS A 56 9.386 0.526 -5.903 1.00 0.00 C ATOM 863 C HIS A 56 8.356 -0.199 -5.043 1.00 0.00 C ATOM 864 O HIS A 56 7.149 0.016 -5.163 1.00 0.00 O ATOM 865 CB HIS A 56 8.837 1.883 -6.342 1.00 0.00 C ATOM 866 CG HIS A 56 8.004 1.818 -7.585 1.00 0.00 C ATOM 867 ND1 HIS A 56 7.193 0.843 -8.058 1.00 0.00 N flip ATOM 868 CD2 HIS A 56 7.945 2.842 -8.507 1.00 0.00 C flip ATOM 869 CE1 HIS A 56 6.665 1.291 -9.243 1.00 0.00 C flip ATOM 870 NE2 HIS A 56 7.134 2.500 -9.491 1.00 0.00 N flip ATOM 0 H HIS A 56 8.968 -0.494 -7.687 1.00 0.00 H new ATOM 0 HA HIS A 56 10.285 0.682 -5.307 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.237 2.302 -5.534 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.670 2.566 -6.508 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.479 3.778 -8.435 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.978 0.743 -9.871 1.00 0.00 H new ATOM 0 HE2 HIS A 56 6.908 3.072 -10.304 1.00 0.00 H new ATOM 878 N PRO A 57 8.840 -1.080 -4.154 1.00 0.00 N ATOM 879 CA PRO A 57 7.977 -1.855 -3.257 1.00 0.00 C ATOM 880 C PRO A 57 7.324 -0.986 -2.188 1.00 0.00 C ATOM 881 O PRO A 57 7.972 -0.126 -1.593 1.00 0.00 O ATOM 882 CB PRO A 57 8.941 -2.857 -2.617 1.00 0.00 C ATOM 883 CG PRO A 57 10.276 -2.200 -2.692 1.00 0.00 C ATOM 884 CD PRO A 57 10.266 -1.387 -3.957 1.00 0.00 C ATOM 0 HA PRO A 57 7.148 -2.321 -3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.662 -3.071 -1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.937 -3.807 -3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.449 -1.566 -1.822 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.075 -2.941 -2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.862 -0.480 -3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.676 -1.947 -4.798 1.00 0.00 H new ATOM 892 N MET A 58 6.037 -1.218 -1.948 1.00 0.00 N ATOM 893 CA MET A 58 5.297 -0.457 -0.948 1.00 0.00 C ATOM 894 C MET A 58 4.393 -1.371 -0.129 1.00 0.00 C ATOM 895 O MET A 58 3.943 -2.410 -0.613 1.00 0.00 O ATOM 896 CB MET A 58 4.464 0.635 -1.622 1.00 0.00 C ATOM 897 CG MET A 58 3.563 1.392 -0.659 1.00 0.00 C ATOM 898 SD MET A 58 4.483 2.493 0.433 1.00 0.00 S ATOM 899 CE MET A 58 5.407 3.458 -0.760 1.00 0.00 C ATOM 0 H MET A 58 5.486 -1.926 -2.432 1.00 0.00 H new ATOM 0 HA MET A 58 6.017 0.009 -0.275 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.134 1.342 -2.112 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.851 0.184 -2.402 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.837 1.974 -1.228 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.999 0.679 -0.058 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.570 4.462 -0.368 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.369 2.981 -0.947 1.00 0.00 H new ATOM 0 HE3 MET A 58 4.845 3.519 -1.692 1.00 0.00 H new ATOM 909 N ASP A 59 4.130 -0.978 1.113 1.00 0.00 N ATOM 910 CA ASP A 59 3.278 -1.763 1.999 1.00 0.00 C ATOM 911 C ASP A 59 2.523 -0.858 2.968 1.00 0.00 C ATOM 912 O ASP A 59 2.730 0.356 2.989 1.00 0.00 O ATOM 913 CB ASP A 59 4.115 -2.779 2.777 1.00 0.00 C ATOM 914 CG ASP A 59 5.390 -2.176 3.334 1.00 0.00 C ATOM 915 OD1 ASP A 59 6.293 -1.855 2.533 1.00 0.00 O ATOM 916 OD2 ASP A 59 5.483 -2.023 4.569 1.00 0.00 O ATOM 0 H ASP A 59 4.494 -0.121 1.529 1.00 0.00 H new ATOM 0 HA ASP A 59 2.551 -2.296 1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.520 -3.184 3.596 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.367 -3.614 2.123 1.00 0.00 H new ATOM 921 N LEU A 60 1.648 -1.457 3.768 1.00 0.00 N ATOM 922 CA LEU A 60 0.860 -0.706 4.739 1.00 0.00 C ATOM 923 C LEU A 60 1.747 -0.163 5.855 1.00 0.00 C ATOM 924 O LEU A 60 1.666 1.013 6.209 1.00 0.00 O ATOM 925 CB LEU A 60 -0.238 -1.591 5.329 1.00 0.00 C ATOM 926 CG LEU A 60 -1.577 -1.583 4.590 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.489 -2.676 5.126 1.00 0.00 C ATOM 928 CD2 LEU A 60 -2.244 -0.221 4.711 1.00 0.00 C ATOM 0 H LEU A 60 1.466 -2.461 3.763 1.00 0.00 H new ATOM 0 HA LEU A 60 0.399 0.136 4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.129 -2.617 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.413 -1.281 6.359 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.390 -1.781 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.437 -2.655 4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.014 -3.647 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.670 -2.510 6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.195 -0.233 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.419 0.006 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.596 0.541 4.278 1.00 0.00 H new ATOM 940 N SER A 61 2.594 -1.027 6.405 1.00 0.00 N ATOM 941 CA SER A 61 3.494 -0.635 7.482 1.00 0.00 C ATOM 942 C SER A 61 4.114 0.730 7.202 1.00 0.00 C ATOM 943 O SER A 61 3.955 1.670 7.982 1.00 0.00 O ATOM 944 CB SER A 61 4.597 -1.681 7.660 1.00 0.00 C ATOM 945 OG SER A 61 5.075 -1.696 8.994 1.00 0.00 O ATOM 0 H SER A 61 2.675 -2.004 6.122 1.00 0.00 H new ATOM 0 HA SER A 61 2.913 -0.569 8.402 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.214 -2.667 7.397 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.420 -1.466 6.978 1.00 0.00 H new ATOM 0 HG SER A 61 5.778 -2.374 9.082 1.00 0.00 H new ATOM 951 N THR A 62 4.823 0.834 6.082 1.00 0.00 N ATOM 952 CA THR A 62 5.468 2.083 5.698 1.00 0.00 C ATOM 953 C THR A 62 4.481 3.244 5.729 1.00 0.00 C ATOM 954 O THR A 62 4.643 4.190 6.499 1.00 0.00 O ATOM 955 CB THR A 62 6.086 1.986 4.291 1.00 0.00 C ATOM 956 OG1 THR A 62 7.067 0.943 4.257 1.00 0.00 O ATOM 957 CG2 THR A 62 6.729 3.306 3.891 1.00 0.00 C ATOM 0 H THR A 62 4.965 0.067 5.425 1.00 0.00 H new ATOM 0 HA THR A 62 6.261 2.265 6.423 1.00 0.00 H new ATOM 0 HB THR A 62 5.289 1.758 3.583 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.454 0.887 3.358 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.159 3.214 2.894 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.974 4.093 3.890 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.515 3.558 4.603 1.00 0.00 H new ATOM 965 N VAL A 63 3.456 3.165 4.886 1.00 0.00 N ATOM 966 CA VAL A 63 2.440 4.209 4.818 1.00 0.00 C ATOM 967 C VAL A 63 2.028 4.667 6.212 1.00 0.00 C ATOM 968 O VAL A 63 1.848 5.860 6.458 1.00 0.00 O ATOM 969 CB VAL A 63 1.190 3.727 4.057 1.00 0.00 C ATOM 970 CG1 VAL A 63 0.052 4.724 4.215 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.514 3.503 2.588 1.00 0.00 C ATOM 0 H VAL A 63 3.307 2.389 4.241 1.00 0.00 H new ATOM 0 HA VAL A 63 2.883 5.047 4.280 1.00 0.00 H new ATOM 0 HB VAL A 63 0.870 2.776 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.823 4.367 3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.196 4.829 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.358 5.691 3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.620 3.163 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.860 4.437 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.295 2.748 2.499 1.00 0.00 H new ATOM 981 N LYS A 64 1.880 3.711 7.123 1.00 0.00 N ATOM 982 CA LYS A 64 1.491 4.015 8.495 1.00 0.00 C ATOM 983 C LYS A 64 2.573 4.825 9.201 1.00 0.00 C ATOM 984 O LYS A 64 2.276 5.767 9.936 1.00 0.00 O ATOM 985 CB LYS A 64 1.222 2.722 9.269 1.00 0.00 C ATOM 986 CG LYS A 64 0.478 2.938 10.575 1.00 0.00 C ATOM 987 CD LYS A 64 -0.011 1.625 11.162 1.00 0.00 C ATOM 988 CE LYS A 64 1.066 0.953 11.999 1.00 0.00 C ATOM 989 NZ LYS A 64 1.087 1.469 13.396 1.00 0.00 N ATOM 0 H LYS A 64 2.024 2.719 6.936 1.00 0.00 H new ATOM 0 HA LYS A 64 0.578 4.610 8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.644 2.045 8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.172 2.230 9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.133 3.436 11.290 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.371 3.601 10.406 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.892 1.806 11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.317 0.957 10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.896 -0.124 12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.040 1.117 11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.835 0.986 13.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.274 2.492 13.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.167 1.290 13.846 1.00 0.00 H new ATOM 1003 N ARG A 65 3.829 4.455 8.971 1.00 0.00 N ATOM 1004 CA ARG A 65 4.955 5.148 9.585 1.00 0.00 C ATOM 1005 C ARG A 65 5.106 6.554 9.011 1.00 0.00 C ATOM 1006 O ARG A 65 5.259 7.526 9.750 1.00 0.00 O ATOM 1007 CB ARG A 65 6.246 4.356 9.372 1.00 0.00 C ATOM 1008 CG ARG A 65 6.494 3.298 10.434 1.00 0.00 C ATOM 1009 CD ARG A 65 5.587 2.093 10.242 1.00 0.00 C ATOM 1010 NE ARG A 65 5.834 1.056 11.240 1.00 0.00 N ATOM 1011 CZ ARG A 65 5.423 1.136 12.500 1.00 0.00 C ATOM 1012 NH1 ARG A 65 4.747 2.199 12.914 1.00 0.00 N ATOM 1013 NH2 ARG A 65 5.687 0.151 13.350 1.00 0.00 N ATOM 0 H ARG A 65 4.092 3.679 8.364 1.00 0.00 H new ATOM 0 HA ARG A 65 4.760 5.230 10.654 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.210 3.876 8.394 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.088 5.048 9.357 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.536 2.980 10.396 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.327 3.727 11.422 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.546 2.410 10.300 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.740 1.680 9.245 1.00 0.00 H new ATOM 0 HE ARG A 65 6.351 0.225 10.953 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.542 2.958 12.264 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.432 2.258 13.882 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.206 -0.669 13.035 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.371 0.214 14.318 1.00 0.00 H new ATOM 1027 N LYS A 66 5.064 6.653 7.686 1.00 0.00 N ATOM 1028 CA LYS A 66 5.196 7.939 7.011 1.00 0.00 C ATOM 1029 C LYS A 66 3.986 8.825 7.287 1.00 0.00 C ATOM 1030 O LYS A 66 4.106 10.047 7.367 1.00 0.00 O ATOM 1031 CB LYS A 66 5.356 7.732 5.503 1.00 0.00 C ATOM 1032 CG LYS A 66 4.049 7.437 4.787 1.00 0.00 C ATOM 1033 CD LYS A 66 4.283 7.040 3.339 1.00 0.00 C ATOM 1034 CE LYS A 66 4.449 8.260 2.447 1.00 0.00 C ATOM 1035 NZ LYS A 66 5.877 8.664 2.320 1.00 0.00 N ATOM 0 H LYS A 66 4.940 5.858 7.059 1.00 0.00 H new ATOM 0 HA LYS A 66 6.085 8.436 7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.805 8.625 5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.049 6.909 5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.523 6.635 5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.406 8.316 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.173 6.415 3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.444 6.440 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.043 8.045 1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.872 9.090 2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.039 9.077 1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.105 9.368 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.486 7.830 2.441 1.00 0.00 H new ATOM 1049 N MET A 67 2.822 8.201 7.434 1.00 0.00 N ATOM 1050 CA MET A 67 1.591 8.934 7.705 1.00 0.00 C ATOM 1051 C MET A 67 1.601 9.511 9.117 1.00 0.00 C ATOM 1052 O MET A 67 1.251 10.673 9.325 1.00 0.00 O ATOM 1053 CB MET A 67 0.377 8.020 7.523 1.00 0.00 C ATOM 1054 CG MET A 67 -0.947 8.700 7.831 1.00 0.00 C ATOM 1055 SD MET A 67 -1.077 10.337 7.085 1.00 0.00 S ATOM 1056 CE MET A 67 -2.427 10.078 5.936 1.00 0.00 C ATOM 0 H MET A 67 2.705 7.190 7.370 1.00 0.00 H new ATOM 0 HA MET A 67 1.525 9.759 6.995 1.00 0.00 H new ATOM 0 HB2 MET A 67 0.358 7.655 6.496 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.488 7.149 8.169 1.00 0.00 H new ATOM 0 HG2 MET A 67 -1.764 8.075 7.471 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.064 8.787 8.911 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.160 10.489 4.962 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.621 9.010 5.838 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.322 10.577 6.308 1.00 0.00 H new ATOM 1066 N ASP A 68 2.002 8.692 10.082 1.00 0.00 N ATOM 1067 CA ASP A 68 2.058 9.121 11.475 1.00 0.00 C ATOM 1068 C ASP A 68 2.973 10.332 11.634 1.00 0.00 C ATOM 1069 O ASP A 68 2.690 11.237 12.418 1.00 0.00 O ATOM 1070 CB ASP A 68 2.546 7.977 12.365 1.00 0.00 C ATOM 1071 CG ASP A 68 2.266 8.225 13.834 1.00 0.00 C ATOM 1072 OD1 ASP A 68 1.096 8.080 14.247 1.00 0.00 O ATOM 1073 OD2 ASP A 68 3.215 8.564 14.570 1.00 0.00 O ATOM 0 H ASP A 68 2.293 7.727 9.926 1.00 0.00 H new ATOM 0 HA ASP A 68 1.052 9.405 11.782 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.062 7.050 12.058 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.618 7.840 12.221 1.00 0.00 H new ATOM 1078 N GLY A 69 4.071 10.340 10.885 1.00 0.00 N ATOM 1079 CA GLY A 69 5.012 11.443 10.959 1.00 0.00 C ATOM 1080 C GLY A 69 4.666 12.564 10.000 1.00 0.00 C ATOM 1081 O GLY A 69 5.548 13.283 9.530 1.00 0.00 O ATOM 0 H GLY A 69 4.326 9.603 10.228 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.031 11.833 11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.015 11.077 10.739 1.00 0.00 H new ATOM 1085 N ARG A 70 3.378 12.714 9.706 1.00 0.00 N ATOM 1086 CA ARG A 70 2.918 13.754 8.794 1.00 0.00 C ATOM 1087 C ARG A 70 3.911 13.953 7.652 1.00 0.00 C ATOM 1088 O ARG A 70 4.276 15.081 7.324 1.00 0.00 O ATOM 1089 CB ARG A 70 2.720 15.071 9.546 1.00 0.00 C ATOM 1090 CG ARG A 70 1.322 15.242 10.117 1.00 0.00 C ATOM 1091 CD ARG A 70 1.095 14.335 11.316 1.00 0.00 C ATOM 1092 NE ARG A 70 0.063 14.856 12.209 1.00 0.00 N ATOM 1093 CZ ARG A 70 -0.099 14.446 13.463 1.00 0.00 C ATOM 1094 NH1 ARG A 70 0.698 13.515 13.968 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -1.061 14.968 14.213 1.00 0.00 N ATOM 0 H ARG A 70 2.635 12.128 10.087 1.00 0.00 H new ATOM 0 HA ARG A 70 1.964 13.437 8.373 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.445 15.128 10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.932 15.900 8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.173 16.281 10.412 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.584 15.020 9.347 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.808 13.342 10.970 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.029 14.223 11.867 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.568 15.573 11.851 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.438 13.111 13.394 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.571 13.202 14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.677 15.684 13.827 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.185 14.653 15.175 1.00 0.00 H new ATOM 1109 N GLU A 71 4.343 12.849 7.051 1.00 0.00 N ATOM 1110 CA GLU A 71 5.293 12.903 5.946 1.00 0.00 C ATOM 1111 C GLU A 71 4.576 13.152 4.623 1.00 0.00 C ATOM 1112 O GLU A 71 5.145 13.729 3.695 1.00 0.00 O ATOM 1113 CB GLU A 71 6.093 11.600 5.868 1.00 0.00 C ATOM 1114 CG GLU A 71 6.879 11.292 7.132 1.00 0.00 C ATOM 1115 CD GLU A 71 8.145 10.505 6.854 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.946 10.949 6.005 1.00 0.00 O ATOM 1117 OE2 GLU A 71 8.334 9.445 7.486 1.00 0.00 O ATOM 0 H GLU A 71 4.050 11.907 7.310 1.00 0.00 H new ATOM 0 HA GLU A 71 5.977 13.731 6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.410 10.775 5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.783 11.657 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.138 12.226 7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.248 10.728 7.819 1.00 0.00 H new ATOM 1124 N TYR A 72 3.325 12.713 4.543 1.00 0.00 N ATOM 1125 CA TYR A 72 2.531 12.886 3.333 1.00 0.00 C ATOM 1126 C TYR A 72 2.238 14.361 3.078 1.00 0.00 C ATOM 1127 O TYR A 72 1.826 15.102 3.971 1.00 0.00 O ATOM 1128 CB TYR A 72 1.219 12.106 3.443 1.00 0.00 C ATOM 1129 CG TYR A 72 1.327 10.672 2.977 1.00 0.00 C ATOM 1130 CD1 TYR A 72 1.646 10.372 1.658 1.00 0.00 C ATOM 1131 CD2 TYR A 72 1.107 9.617 3.854 1.00 0.00 C ATOM 1132 CE1 TYR A 72 1.745 9.063 1.227 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.205 8.305 3.432 1.00 0.00 C ATOM 1134 CZ TYR A 72 1.524 8.033 2.118 1.00 0.00 C ATOM 1135 OH TYR A 72 1.621 6.728 1.694 1.00 0.00 O ATOM 0 H TYR A 72 2.839 12.235 5.302 1.00 0.00 H new ATOM 0 HA TYR A 72 3.108 12.499 2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.885 12.118 4.480 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.454 12.614 2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.819 11.176 0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.855 9.826 4.883 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.994 8.847 0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.033 7.497 4.127 1.00 0.00 H new ATOM 0 HH TYR A 72 0.729 6.321 1.680 1.00 0.00 H new ATOM 1145 N PRO A 73 2.456 14.800 1.830 1.00 0.00 N ATOM 1146 CA PRO A 73 2.221 16.190 1.427 1.00 0.00 C ATOM 1147 C PRO A 73 0.738 16.543 1.397 1.00 0.00 C ATOM 1148 O PRO A 73 0.334 17.608 1.863 1.00 0.00 O ATOM 1149 CB PRO A 73 2.815 16.256 0.018 1.00 0.00 C ATOM 1150 CG PRO A 73 2.750 14.855 -0.487 1.00 0.00 C ATOM 1151 CD PRO A 73 2.947 13.973 0.715 1.00 0.00 C ATOM 0 HA PRO A 73 2.667 16.898 2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.247 16.933 -0.620 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.841 16.622 0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.790 14.656 -0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.522 14.673 -1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.385 13.043 0.627 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.994 13.702 0.847 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.068 15.641 0.847 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.508 15.857 0.758 1.00 0.00 C ATOM 1161 C ASP A 74 -2.236 14.550 0.461 1.00 0.00 C ATOM 1162 O ASP A 74 -1.608 13.515 0.238 1.00 0.00 O ATOM 1163 CB ASP A 74 -1.824 16.889 -0.325 1.00 0.00 C ATOM 1164 CG ASP A 74 -0.823 16.859 -1.464 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -0.968 16.001 -2.359 1.00 0.00 O ATOM 1166 OD2 ASP A 74 0.104 17.695 -1.459 1.00 0.00 O ATOM 0 H ASP A 74 0.251 14.754 0.456 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.854 16.234 1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.823 16.704 -0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.836 17.885 0.118 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.564 14.605 0.461 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.377 13.425 0.191 1.00 0.00 C ATOM 1173 C ALA A 75 -3.882 12.690 -1.050 1.00 0.00 C ATOM 1174 O ALA A 75 -3.776 11.464 -1.054 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.838 13.818 0.027 1.00 0.00 C ATOM 0 H ALA A 75 -4.099 15.453 0.645 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.287 12.749 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.434 12.928 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.192 14.292 0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.936 14.516 -0.805 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.583 13.447 -2.101 1.00 0.00 N ATOM 1182 CA GLN A 76 -3.101 12.866 -3.348 1.00 0.00 C ATOM 1183 C GLN A 76 -1.926 11.928 -3.093 1.00 0.00 C ATOM 1184 O GLN A 76 -1.834 10.856 -3.689 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.687 13.969 -4.323 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.810 14.938 -4.658 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.801 14.362 -5.650 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -4.473 14.140 -6.816 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -6.023 14.116 -5.192 1.00 0.00 N ATOM 0 H GLN A 76 -3.666 14.464 -2.113 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.914 12.289 -3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.853 14.526 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.326 13.512 -5.244 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.335 15.210 -3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.384 15.855 -5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.252 14.315 -4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.732 13.728 -5.814 1.00 0.00 H new ATOM 1198 N GLY A 77 -1.028 12.341 -2.204 1.00 0.00 N ATOM 1199 CA GLY A 77 0.131 11.526 -1.886 1.00 0.00 C ATOM 1200 C GLY A 77 -0.243 10.237 -1.182 1.00 0.00 C ATOM 1201 O GLY A 77 0.266 9.167 -1.520 1.00 0.00 O ATOM 0 H GLY A 77 -1.082 13.225 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.670 11.292 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.811 12.097 -1.254 1.00 0.00 H new ATOM 1205 N PHE A 78 -1.132 10.337 -0.200 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.571 9.170 0.555 1.00 0.00 C ATOM 1207 C PHE A 78 -2.163 8.112 -0.372 1.00 0.00 C ATOM 1208 O PHE A 78 -1.901 6.920 -0.219 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.604 9.576 1.608 1.00 0.00 C ATOM 1210 CG PHE A 78 -3.332 8.411 2.215 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.743 7.652 3.213 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.607 8.075 1.788 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.410 6.579 3.772 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -5.280 7.003 2.344 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.681 6.255 3.338 1.00 0.00 C ATOM 0 H PHE A 78 -1.563 11.214 0.092 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.701 8.744 1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.104 10.134 2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.330 10.250 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.751 7.902 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.080 8.658 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.938 5.994 4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.273 6.751 2.001 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.205 5.418 3.775 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.964 8.559 -1.335 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.592 7.653 -2.288 1.00 0.00 C ATOM 1227 C ALA A 79 -2.580 7.143 -3.309 1.00 0.00 C ATOM 1228 O ALA A 79 -2.525 5.949 -3.599 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.750 8.346 -2.990 1.00 0.00 C ATOM 0 H ALA A 79 -3.193 9.543 -1.475 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.977 6.795 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.210 7.658 -3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.490 8.655 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.381 9.222 -3.523 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.783 8.057 -3.852 1.00 0.00 N ATOM 1236 CA ALA A 80 -0.772 7.699 -4.840 1.00 0.00 C ATOM 1237 C ALA A 80 0.006 6.461 -4.405 1.00 0.00 C ATOM 1238 O ALA A 80 0.159 5.511 -5.173 1.00 0.00 O ATOM 1239 CB ALA A 80 0.176 8.866 -5.073 1.00 0.00 C ATOM 0 H ALA A 80 -1.818 9.051 -3.625 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.280 7.467 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.925 8.584 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.387 9.725 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.670 9.126 -4.137 1.00 0.00 H new ATOM 1245 N ASP A 81 0.496 6.480 -3.171 1.00 0.00 N ATOM 1246 CA ASP A 81 1.258 5.358 -2.634 1.00 0.00 C ATOM 1247 C ASP A 81 0.402 4.097 -2.576 1.00 0.00 C ATOM 1248 O ASP A 81 0.686 3.110 -3.254 1.00 0.00 O ATOM 1249 CB ASP A 81 1.788 5.695 -1.239 1.00 0.00 C ATOM 1250 CG ASP A 81 3.157 6.344 -1.281 1.00 0.00 C ATOM 1251 OD1 ASP A 81 4.001 5.899 -2.087 1.00 0.00 O ATOM 1252 OD2 ASP A 81 3.385 7.298 -0.507 1.00 0.00 O ATOM 0 H ASP A 81 0.380 7.259 -2.523 1.00 0.00 H new ATOM 0 HA ASP A 81 2.101 5.172 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.087 6.364 -0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.839 4.784 -0.643 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.647 4.137 -1.761 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.545 2.998 -1.614 1.00 0.00 C ATOM 1259 C VAL A 82 -1.782 2.309 -2.953 1.00 0.00 C ATOM 1260 O VAL A 82 -1.642 1.091 -3.069 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.901 3.425 -1.022 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.840 2.232 -0.923 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.706 4.074 0.340 1.00 0.00 C ATOM 0 H VAL A 82 -0.896 4.946 -1.192 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.062 2.300 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.354 4.159 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.793 2.553 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.004 1.815 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.397 1.473 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.674 4.370 0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.232 3.363 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.072 4.954 0.236 1.00 0.00 H new ATOM 1273 N ARG A 83 -2.141 3.096 -3.962 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.399 2.561 -5.294 1.00 0.00 C ATOM 1275 C ARG A 83 -1.240 1.685 -5.761 1.00 0.00 C ATOM 1276 O ARG A 83 -1.448 0.587 -6.279 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.624 3.701 -6.289 1.00 0.00 C ATOM 1278 CG ARG A 83 -4.042 4.248 -6.278 1.00 0.00 C ATOM 1279 CD ARG A 83 -4.256 5.263 -7.391 1.00 0.00 C ATOM 1280 NE ARG A 83 -4.457 4.620 -8.686 1.00 0.00 N ATOM 1281 CZ ARG A 83 -4.528 5.285 -9.834 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -4.414 6.606 -9.846 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -4.713 4.629 -10.972 1.00 0.00 N ATOM 0 H ARG A 83 -2.260 4.106 -3.883 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.299 1.948 -5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.930 4.511 -6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.388 3.348 -7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.751 3.428 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.246 4.715 -5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.122 5.882 -7.155 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.394 5.928 -7.446 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.548 3.604 -8.711 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.271 7.114 -8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.469 7.115 -10.728 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.801 3.613 -10.966 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.767 5.141 -11.853 1.00 0.00 H new ATOM 1297 N LEU A 84 -0.021 2.176 -5.574 1.00 0.00 N ATOM 1298 CA LEU A 84 1.172 1.439 -5.977 1.00 0.00 C ATOM 1299 C LEU A 84 1.266 0.109 -5.235 1.00 0.00 C ATOM 1300 O LEU A 84 1.410 -0.947 -5.850 1.00 0.00 O ATOM 1301 CB LEU A 84 2.426 2.273 -5.712 1.00 0.00 C ATOM 1302 CG LEU A 84 3.700 1.814 -6.421 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.837 2.791 -6.163 1.00 0.00 C ATOM 1304 CD2 LEU A 84 4.086 0.412 -5.971 1.00 0.00 C ATOM 0 H LEU A 84 0.168 3.082 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 84 1.099 1.235 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.222 3.303 -6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.614 2.279 -4.638 1.00 0.00 H new ATOM 0 HG LEU A 84 3.507 1.789 -7.493 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.735 2.447 -6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.561 3.777 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.031 2.849 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.995 0.102 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.260 0.410 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.280 -0.282 -6.209 1.00 0.00 H new ATOM 1316 N MET A 85 1.181 0.170 -3.910 1.00 0.00 N ATOM 1317 CA MET A 85 1.253 -1.030 -3.084 1.00 0.00 C ATOM 1318 C MET A 85 0.494 -2.183 -3.734 1.00 0.00 C ATOM 1319 O MET A 85 1.020 -3.289 -3.867 1.00 0.00 O ATOM 1320 CB MET A 85 0.685 -0.752 -1.691 1.00 0.00 C ATOM 1321 CG MET A 85 0.671 -1.972 -0.785 1.00 0.00 C ATOM 1322 SD MET A 85 0.040 -1.606 0.863 1.00 0.00 S ATOM 1323 CE MET A 85 -1.670 -1.220 0.493 1.00 0.00 C ATOM 0 H MET A 85 1.062 1.037 -3.386 1.00 0.00 H new ATOM 0 HA MET A 85 2.301 -1.314 -2.991 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.273 0.034 -1.218 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.332 -0.373 -1.791 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.058 -2.750 -1.240 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.682 -2.370 -0.702 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.260 -1.268 1.408 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.734 -0.216 0.073 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.058 -1.940 -0.227 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.745 -1.919 -4.136 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.576 -2.935 -4.770 1.00 0.00 C ATOM 1335 C PHE A 86 -0.974 -3.378 -6.100 1.00 0.00 C ATOM 1336 O PHE A 86 -1.129 -4.528 -6.512 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.993 -2.400 -4.991 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.806 -2.317 -3.731 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.320 -3.463 -3.146 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -4.056 -1.093 -3.132 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -5.068 -3.390 -1.986 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.804 -1.014 -1.972 1.00 0.00 C ATOM 1343 CZ PHE A 86 -5.311 -2.164 -1.399 1.00 0.00 C ATOM 0 H PHE A 86 -1.195 -1.010 -4.034 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.620 -3.798 -4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.932 -1.409 -5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.508 -3.043 -5.705 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.134 -4.424 -3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.662 -0.191 -3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.462 -4.291 -1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.992 -0.054 -1.514 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.896 -2.104 -0.493 1.00 0.00 H new ATOM 1353 N SER A 87 -0.287 -2.457 -6.768 1.00 0.00 N ATOM 1354 CA SER A 87 0.336 -2.750 -8.053 1.00 0.00 C ATOM 1355 C SER A 87 1.369 -3.864 -7.916 1.00 0.00 C ATOM 1356 O SER A 87 1.327 -4.856 -8.641 1.00 0.00 O ATOM 1357 CB SER A 87 0.997 -1.493 -8.622 1.00 0.00 C ATOM 1358 OG SER A 87 1.340 -1.669 -9.985 1.00 0.00 O ATOM 0 H SER A 87 -0.148 -1.501 -6.440 1.00 0.00 H new ATOM 0 HA SER A 87 -0.443 -3.084 -8.738 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.320 -0.645 -8.521 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.892 -1.257 -8.046 1.00 0.00 H new ATOM 0 HG SER A 87 1.759 -0.851 -10.325 1.00 0.00 H new ATOM 1364 N ASN A 88 2.295 -3.691 -6.979 1.00 0.00 N ATOM 1365 CA ASN A 88 3.340 -4.681 -6.745 1.00 0.00 C ATOM 1366 C ASN A 88 2.753 -6.087 -6.684 1.00 0.00 C ATOM 1367 O ASN A 88 3.281 -7.018 -7.294 1.00 0.00 O ATOM 1368 CB ASN A 88 4.085 -4.370 -5.445 1.00 0.00 C ATOM 1369 CG ASN A 88 4.130 -2.884 -5.146 1.00 0.00 C ATOM 1370 OD1 ASN A 88 3.121 -2.281 -4.780 1.00 0.00 O ATOM 1371 ND2 ASN A 88 5.305 -2.285 -5.301 1.00 0.00 N ATOM 0 H ASN A 88 2.343 -2.875 -6.369 1.00 0.00 H new ATOM 0 HA ASN A 88 4.042 -4.635 -7.578 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.600 -4.890 -4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.102 -4.756 -5.511 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.397 -1.286 -5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 88 6.116 -2.824 -5.606 1.00 0.00 H new ATOM 1378 N CYS A 89 1.659 -6.234 -5.945 1.00 0.00 N ATOM 1379 CA CYS A 89 1.000 -7.528 -5.804 1.00 0.00 C ATOM 1380 C CYS A 89 0.940 -8.256 -7.142 1.00 0.00 C ATOM 1381 O CYS A 89 1.658 -9.232 -7.362 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.412 -7.346 -5.244 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.362 -8.879 -5.126 1.00 0.00 S ATOM 0 H CYS A 89 1.210 -5.474 -5.434 1.00 0.00 H new ATOM 0 HA CYS A 89 1.583 -8.132 -5.109 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.343 -6.897 -4.253 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.954 -6.643 -5.876 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.215 -8.937 -6.105 1.00 0.00 H new ATOM 1389 N TYR A 90 0.078 -7.777 -8.032 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.079 -8.385 -9.348 1.00 0.00 C ATOM 1391 C TYR A 90 1.225 -8.321 -10.137 1.00 0.00 C ATOM 1392 O TYR A 90 1.615 -9.286 -10.796 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.194 -7.685 -10.127 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.311 -7.165 -9.250 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -2.907 -7.980 -8.295 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -2.768 -5.859 -9.375 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -3.929 -7.509 -7.493 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -3.788 -5.380 -8.576 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.365 -6.208 -7.636 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.381 -5.736 -6.838 1.00 0.00 O ATOM 0 H TYR A 90 -0.523 -6.970 -7.866 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.346 -9.432 -9.206 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.767 -6.854 -10.688 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.609 -8.381 -10.855 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.566 -8.998 -8.178 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.318 -5.207 -10.109 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.384 -8.156 -6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.132 -4.362 -8.687 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.568 -4.801 -7.065 1.00 0.00 H new ATOM 1410 N LYS A 91 1.897 -7.177 -10.065 1.00 0.00 N ATOM 1411 CA LYS A 91 3.159 -6.984 -10.770 1.00 0.00 C ATOM 1412 C LYS A 91 4.124 -8.129 -10.480 1.00 0.00 C ATOM 1413 O LYS A 91 4.881 -8.552 -11.354 1.00 0.00 O ATOM 1414 CB LYS A 91 3.794 -5.652 -10.365 1.00 0.00 C ATOM 1415 CG LYS A 91 4.626 -5.016 -11.466 1.00 0.00 C ATOM 1416 CD LYS A 91 6.036 -5.583 -11.497 1.00 0.00 C ATOM 1417 CE LYS A 91 6.826 -5.046 -12.680 1.00 0.00 C ATOM 1418 NZ LYS A 91 7.841 -6.024 -13.160 1.00 0.00 N ATOM 0 H LYS A 91 1.588 -6.369 -9.525 1.00 0.00 H new ATOM 0 HA LYS A 91 2.951 -6.970 -11.840 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.007 -4.959 -10.069 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.424 -5.811 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.145 -5.183 -12.430 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.670 -3.938 -11.314 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.551 -5.332 -10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.991 -6.671 -11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.142 -4.804 -13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.322 -4.119 -12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.287 -5.664 -14.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.567 -6.159 -12.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.379 -6.934 -13.361 1.00 0.00 H new ATOM 1432 N TYR A 92 4.091 -8.627 -9.249 1.00 0.00 N ATOM 1433 CA TYR A 92 4.964 -9.722 -8.844 1.00 0.00 C ATOM 1434 C TYR A 92 4.306 -11.072 -9.113 1.00 0.00 C ATOM 1435 O TYR A 92 4.731 -11.817 -9.995 1.00 0.00 O ATOM 1436 CB TYR A 92 5.315 -9.601 -7.360 1.00 0.00 C ATOM 1437 CG TYR A 92 6.520 -10.419 -6.954 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.776 -10.152 -7.485 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.402 -11.459 -6.040 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.880 -10.897 -7.117 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.501 -12.208 -5.665 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.737 -11.924 -6.207 1.00 0.00 C ATOM 1443 OH TYR A 92 9.834 -12.669 -5.837 1.00 0.00 O ATOM 0 H TYR A 92 3.469 -8.290 -8.514 1.00 0.00 H new ATOM 0 HA TYR A 92 5.879 -9.660 -9.433 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.501 -8.553 -7.124 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.457 -9.914 -6.766 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.891 -9.349 -8.197 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.435 -11.686 -5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.849 -10.677 -7.539 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.393 -13.011 -4.951 1.00 0.00 H new ATOM 0 HH TYR A 92 9.562 -13.351 -5.188 1.00 0.00 H new ATOM 1453 N ASN A 93 3.264 -11.378 -8.347 1.00 0.00 N ATOM 1454 CA ASN A 93 2.545 -12.638 -8.502 1.00 0.00 C ATOM 1455 C ASN A 93 1.630 -12.595 -9.722 1.00 0.00 C ATOM 1456 O ASN A 93 1.138 -11.540 -10.124 1.00 0.00 O ATOM 1457 CB ASN A 93 1.725 -12.939 -7.246 1.00 0.00 C ATOM 1458 CG ASN A 93 0.883 -11.756 -6.808 1.00 0.00 C ATOM 1459 OD1 ASN A 93 0.131 -11.188 -7.599 1.00 0.00 O ATOM 1460 ND2 ASN A 93 1.007 -11.378 -5.540 1.00 0.00 N ATOM 0 H ASN A 93 2.899 -10.771 -7.613 1.00 0.00 H new ATOM 0 HA ASN A 93 3.279 -13.431 -8.648 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.075 -13.793 -7.436 1.00 0.00 H new ATOM 0 HB3 ASN A 93 2.397 -13.223 -6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.466 -10.588 -5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.643 -11.878 -4.919 1.00 0.00 H new ATOM 1467 N PRO A 94 1.395 -13.769 -10.326 1.00 0.00 N ATOM 1468 CA PRO A 94 0.537 -13.893 -11.508 1.00 0.00 C ATOM 1469 C PRO A 94 -0.934 -13.654 -11.185 1.00 0.00 C ATOM 1470 O PRO A 94 -1.334 -13.578 -10.024 1.00 0.00 O ATOM 1471 CB PRO A 94 0.757 -15.340 -11.956 1.00 0.00 C ATOM 1472 CG PRO A 94 1.172 -16.061 -10.720 1.00 0.00 C ATOM 1473 CD PRO A 94 1.948 -15.066 -9.902 1.00 0.00 C ATOM 0 HA PRO A 94 0.784 -13.154 -12.270 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.154 -15.767 -12.376 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.524 -15.403 -12.728 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.304 -16.426 -10.171 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.784 -16.930 -10.962 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.811 -15.231 -8.833 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.018 -15.131 -10.100 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.759 -13.532 -12.235 1.00 0.00 N ATOM 1482 CA PRO A 95 -3.199 -13.300 -12.088 1.00 0.00 C ATOM 1483 C PRO A 95 -3.928 -14.518 -11.532 1.00 0.00 C ATOM 1484 O PRO A 95 -5.110 -14.446 -11.195 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.660 -13.008 -13.518 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.658 -13.690 -14.385 1.00 0.00 C ATOM 1487 CD PRO A 95 -1.350 -13.612 -13.648 1.00 0.00 C ATOM 0 HA PRO A 95 -3.412 -12.495 -11.385 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.665 -13.392 -13.696 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.689 -11.936 -13.714 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.942 -14.726 -14.568 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.587 -13.203 -15.357 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.729 -14.488 -13.838 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.771 -12.739 -13.949 1.00 0.00 H new ATOM 1495 N ASP A 96 -3.216 -15.636 -11.438 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.796 -16.870 -10.920 1.00 0.00 C ATOM 1497 C ASP A 96 -3.659 -16.940 -9.402 1.00 0.00 C ATOM 1498 O ASP A 96 -4.494 -17.535 -8.720 1.00 0.00 O ATOM 1499 CB ASP A 96 -3.121 -18.084 -11.562 1.00 0.00 C ATOM 1500 CG ASP A 96 -2.729 -17.832 -13.005 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -3.621 -17.866 -13.878 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -1.529 -17.601 -13.260 1.00 0.00 O ATOM 0 H ASP A 96 -2.237 -15.713 -11.714 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.857 -16.878 -11.172 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -2.233 -18.348 -10.988 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.796 -18.938 -11.516 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.600 -16.330 -8.880 1.00 0.00 N ATOM 1508 CA HIS A 97 -2.354 -16.323 -7.442 1.00 0.00 C ATOM 1509 C HIS A 97 -3.604 -15.897 -6.679 1.00 0.00 C ATOM 1510 O HIS A 97 -4.099 -14.784 -6.854 1.00 0.00 O ATOM 1511 CB HIS A 97 -1.193 -15.387 -7.107 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.517 -15.711 -5.811 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -1.170 -16.298 -4.747 1.00 0.00 N ATOM 1514 CD2 HIS A 97 0.764 -15.530 -5.410 1.00 0.00 C ATOM 1515 CE1 HIS A 97 -0.321 -16.461 -3.748 1.00 0.00 C ATOM 1516 NE2 HIS A 97 0.859 -16.004 -4.125 1.00 0.00 N ATOM 0 H HIS A 97 -1.899 -15.834 -9.430 1.00 0.00 H new ATOM 0 HA HIS A 97 -2.093 -17.337 -7.138 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.458 -15.430 -7.911 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.563 -14.362 -7.068 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.562 -15.094 -5.993 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.553 -16.894 -2.786 1.00 0.00 H new ATOM 0 HE2 HIS A 97 1.704 -16.003 -3.554 1.00 0.00 H new ATOM 1524 N GLU A 98 -4.108 -16.789 -5.832 1.00 0.00 N ATOM 1525 CA GLU A 98 -5.301 -16.505 -5.044 1.00 0.00 C ATOM 1526 C GLU A 98 -5.177 -15.159 -4.335 1.00 0.00 C ATOM 1527 O GLU A 98 -6.108 -14.354 -4.339 1.00 0.00 O ATOM 1528 CB GLU A 98 -5.538 -17.615 -4.018 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.856 -17.365 -2.683 1.00 0.00 C ATOM 1530 CD GLU A 98 -5.029 -18.519 -1.715 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -4.894 -19.682 -2.149 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -5.300 -18.259 -0.524 1.00 0.00 O ATOM 0 H GLU A 98 -3.709 -17.714 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.152 -16.461 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.610 -17.724 -3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.181 -18.560 -4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.793 -17.191 -2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.261 -16.457 -2.236 1.00 0.00 H new ATOM 1539 N VAL A 99 -4.019 -14.923 -3.726 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.771 -13.676 -3.012 1.00 0.00 C ATOM 1541 C VAL A 99 -4.171 -12.471 -3.857 1.00 0.00 C ATOM 1542 O VAL A 99 -4.506 -11.411 -3.326 1.00 0.00 O ATOM 1543 CB VAL A 99 -2.289 -13.541 -2.616 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.474 -12.986 -3.775 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -2.145 -12.662 -1.383 1.00 0.00 C ATOM 0 H VAL A 99 -3.238 -15.579 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.380 -13.702 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.904 -14.532 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.430 -12.898 -3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.551 -13.659 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.857 -12.003 -4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.091 -12.578 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.547 -11.671 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.694 -13.107 -0.553 1.00 0.00 H new ATOM 1555 N VAL A 100 -4.136 -12.641 -5.174 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.497 -11.568 -6.093 1.00 0.00 C ATOM 1557 C VAL A 100 -5.951 -11.151 -5.907 1.00 0.00 C ATOM 1558 O VAL A 100 -6.273 -9.963 -5.914 1.00 0.00 O ATOM 1559 CB VAL A 100 -4.278 -11.987 -7.559 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.689 -10.866 -8.502 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.827 -12.382 -7.789 1.00 0.00 C ATOM 0 H VAL A 100 -3.861 -13.512 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.848 -10.723 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.905 -12.854 -7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.527 -11.180 -9.533 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.744 -10.635 -8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.091 -9.979 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.690 -12.675 -8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.179 -11.535 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.570 -13.219 -7.140 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.827 -12.136 -5.740 1.00 0.00 N ATOM 1572 CA ALA A 101 -8.247 -11.872 -5.549 1.00 0.00 C ATOM 1573 C ALA A 101 -8.503 -11.181 -4.213 1.00 0.00 C ATOM 1574 O ALA A 101 -9.406 -10.354 -4.095 1.00 0.00 O ATOM 1575 CB ALA A 101 -9.042 -13.167 -5.636 1.00 0.00 C ATOM 0 H ALA A 101 -6.578 -13.125 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.576 -11.202 -6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.101 -12.954 -5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.893 -13.620 -6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.701 -13.856 -4.863 1.00 0.00 H new ATOM 1581 N MET A 102 -7.702 -11.527 -3.211 1.00 0.00 N ATOM 1582 CA MET A 102 -7.841 -10.940 -1.884 1.00 0.00 C ATOM 1583 C MET A 102 -7.447 -9.466 -1.897 1.00 0.00 C ATOM 1584 O MET A 102 -8.068 -8.642 -1.228 1.00 0.00 O ATOM 1585 CB MET A 102 -6.982 -11.701 -0.872 1.00 0.00 C ATOM 1586 CG MET A 102 -7.463 -13.119 -0.611 1.00 0.00 C ATOM 1587 SD MET A 102 -7.063 -13.692 1.051 1.00 0.00 S ATOM 1588 CE MET A 102 -5.308 -13.341 1.118 1.00 0.00 C ATOM 0 H MET A 102 -6.950 -12.211 -3.293 1.00 0.00 H new ATOM 0 HA MET A 102 -8.888 -11.015 -1.589 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.954 -11.736 -1.233 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.971 -11.151 0.069 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.542 -13.165 -0.757 1.00 0.00 H new ATOM 0 HG3 MET A 102 -7.013 -13.792 -1.341 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.755 -14.273 1.235 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.000 -12.850 0.195 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.100 -12.687 1.965 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.410 -9.143 -2.663 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.935 -7.769 -2.765 1.00 0.00 C ATOM 1600 C ALA A 103 -7.044 -6.838 -3.243 1.00 0.00 C ATOM 1601 O ALA A 103 -7.267 -5.774 -2.664 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.738 -7.692 -3.702 1.00 0.00 C ATOM 0 H ALA A 103 -5.883 -9.814 -3.222 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.626 -7.443 -1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.394 -6.660 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.934 -8.319 -3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.028 -8.042 -4.693 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.736 -7.244 -4.302 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.821 -6.445 -4.858 1.00 0.00 C ATOM 1610 C ARG A 104 -9.841 -6.088 -3.781 1.00 0.00 C ATOM 1611 O ARG A 104 -10.167 -4.918 -3.582 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.508 -7.201 -5.996 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.622 -7.408 -7.213 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.296 -8.293 -8.250 1.00 0.00 C ATOM 1615 NE ARG A 104 -10.346 -7.583 -8.976 1.00 0.00 N ATOM 1616 CZ ARG A 104 -10.878 -8.019 -10.112 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -10.461 -9.157 -10.649 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -11.830 -7.317 -10.713 1.00 0.00 N ATOM 0 H ARG A 104 -7.565 -8.122 -4.792 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.395 -5.522 -5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.838 -8.173 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.402 -6.654 -6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.382 -6.442 -7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.679 -7.860 -6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.550 -8.657 -8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.723 -9.167 -7.758 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.690 -6.704 -8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.730 -9.700 -10.190 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.871 -9.490 -11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.154 -6.441 -10.303 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.238 -7.653 -11.585 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.343 -7.105 -3.089 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.325 -6.901 -2.031 1.00 0.00 C ATOM 1634 C LYS A 105 -11.049 -5.605 -1.275 1.00 0.00 C ATOM 1635 O LYS A 105 -11.886 -4.702 -1.243 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.313 -8.084 -1.060 1.00 0.00 C ATOM 1637 CG LYS A 105 -12.224 -9.224 -1.479 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.881 -10.510 -0.745 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.965 -11.561 -0.927 1.00 0.00 C ATOM 1640 NZ LYS A 105 -14.119 -11.332 -0.013 1.00 0.00 N ATOM 0 H LYS A 105 -10.085 -8.080 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.310 -6.829 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.294 -8.459 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.613 -7.735 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.261 -8.955 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.138 -9.383 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.931 -10.898 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.750 -10.301 0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.312 -11.549 -1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.546 -12.550 -0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.836 -12.069 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.793 -11.368 0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.535 -10.399 -0.206 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.871 -5.520 -0.668 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.483 -4.333 0.087 1.00 0.00 C ATOM 1656 C LEU A 106 -9.547 -3.086 -0.788 1.00 0.00 C ATOM 1657 O LEU A 106 -10.194 -2.101 -0.434 1.00 0.00 O ATOM 1658 CB LEU A 106 -8.072 -4.503 0.652 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.611 -3.430 1.639 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -8.348 -3.570 2.962 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -6.106 -3.513 1.853 1.00 0.00 C ATOM 0 H LEU A 106 -9.168 -6.258 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.185 -4.211 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.015 -5.472 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.369 -4.528 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.844 -2.452 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.007 -2.798 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.419 -3.460 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.146 -4.553 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.796 -2.742 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.849 -4.494 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.594 -3.362 0.902 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.874 -3.137 -1.933 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.856 -2.012 -2.859 1.00 0.00 C ATOM 1675 C GLN A 107 -10.245 -1.398 -2.998 1.00 0.00 C ATOM 1676 O GLN A 107 -10.429 -0.199 -2.788 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.344 -2.460 -4.229 1.00 0.00 C ATOM 1678 CG GLN A 107 -8.096 -1.309 -5.192 1.00 0.00 C ATOM 1679 CD GLN A 107 -7.555 -1.774 -6.530 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -6.394 -2.170 -6.639 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -8.395 -1.729 -7.557 1.00 0.00 N ATOM 0 H GLN A 107 -8.334 -3.946 -2.241 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.183 -1.255 -2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.417 -3.018 -4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.068 -3.144 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.027 -0.765 -5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.391 -0.610 -4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.349 -1.394 -7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -8.087 -2.030 -8.482 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.220 -2.228 -3.353 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.593 -1.768 -3.519 1.00 0.00 C ATOM 1692 C ASP A 108 -12.998 -0.842 -2.377 1.00 0.00 C ATOM 1693 O ASP A 108 -13.465 0.275 -2.604 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.549 -2.960 -3.588 1.00 0.00 C ATOM 1695 CG ASP A 108 -14.802 -2.653 -4.384 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -14.756 -2.758 -5.627 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -15.829 -2.306 -3.763 1.00 0.00 O ATOM 0 H ASP A 108 -11.084 -3.223 -3.531 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.652 -1.210 -4.454 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -13.035 -3.809 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.828 -3.257 -2.577 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.817 -1.313 -1.147 1.00 0.00 N ATOM 1703 CA VAL A 109 -13.163 -0.527 0.032 1.00 0.00 C ATOM 1704 C VAL A 109 -12.427 0.808 0.038 1.00 0.00 C ATOM 1705 O VAL A 109 -13.034 1.863 0.219 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.834 -1.289 1.330 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -13.121 -0.420 2.545 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.619 -2.590 1.397 1.00 0.00 C ATOM 0 H VAL A 109 -12.433 -2.235 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.237 -0.346 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.772 -1.533 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -12.883 -0.974 3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.511 0.482 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.175 -0.144 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.374 -3.115 2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.687 -2.372 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -13.359 -3.216 0.543 1.00 0.00 H new ATOM 1718 N PHE A 110 -11.114 0.754 -0.162 1.00 0.00 N ATOM 1719 CA PHE A 110 -10.293 1.959 -0.179 1.00 0.00 C ATOM 1720 C PHE A 110 -10.781 2.934 -1.247 1.00 0.00 C ATOM 1721 O PHE A 110 -10.778 4.147 -1.042 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.828 1.601 -0.431 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.955 2.794 -0.693 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -7.977 3.429 -1.924 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.111 3.282 0.293 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -7.175 4.528 -2.169 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.308 4.381 0.054 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.339 5.004 -1.178 1.00 0.00 C ATOM 0 H PHE A 110 -10.596 -0.111 -0.315 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.379 2.441 0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.441 1.060 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.769 0.924 -1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -8.629 3.061 -2.702 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.081 2.798 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -7.202 5.013 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.656 4.753 0.831 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.711 5.862 -1.366 1.00 0.00 H new ATOM 1738 N GLU A 111 -11.199 2.393 -2.387 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.688 3.215 -3.488 1.00 0.00 C ATOM 1740 C GLU A 111 -12.948 3.975 -3.081 1.00 0.00 C ATOM 1741 O GLU A 111 -13.034 5.191 -3.252 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.977 2.346 -4.713 1.00 0.00 C ATOM 1743 CG GLU A 111 -10.730 1.951 -5.487 1.00 0.00 C ATOM 1744 CD GLU A 111 -11.022 1.634 -6.941 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -11.999 0.903 -7.204 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -10.272 2.117 -7.815 1.00 0.00 O ATOM 0 H GLU A 111 -11.209 1.390 -2.572 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.913 3.939 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.497 1.443 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.652 2.884 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.003 2.761 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.273 1.082 -5.014 1.00 0.00 H new ATOM 1753 N MET A 112 -13.922 3.249 -2.544 1.00 0.00 N ATOM 1754 CA MET A 112 -15.177 3.854 -2.112 1.00 0.00 C ATOM 1755 C MET A 112 -14.949 4.799 -0.937 1.00 0.00 C ATOM 1756 O MET A 112 -15.599 5.839 -0.830 1.00 0.00 O ATOM 1757 CB MET A 112 -16.183 2.770 -1.722 1.00 0.00 C ATOM 1758 CG MET A 112 -15.670 1.821 -0.651 1.00 0.00 C ATOM 1759 SD MET A 112 -16.967 0.766 0.022 1.00 0.00 S ATOM 1760 CE MET A 112 -17.848 1.932 1.058 1.00 0.00 C ATOM 0 H MET A 112 -13.867 2.241 -2.397 1.00 0.00 H new ATOM 0 HA MET A 112 -15.579 4.430 -2.945 1.00 0.00 H new ATOM 0 HB2 MET A 112 -17.097 3.245 -1.367 1.00 0.00 H new ATOM 0 HB3 MET A 112 -16.447 2.195 -2.609 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.881 1.197 -1.072 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.222 2.399 0.157 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.503 1.390 1.740 1.00 0.00 H new ATOM 0 HE2 MET A 112 -17.133 2.521 1.632 1.00 0.00 H new ATOM 0 HE3 MET A 112 -18.445 2.596 0.433 1.00 0.00 H new ATOM 1770 N ARG A 113 -14.022 4.431 -0.058 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.710 5.246 1.110 1.00 0.00 C ATOM 1772 C ARG A 113 -13.170 6.610 0.692 1.00 0.00 C ATOM 1773 O ARG A 113 -13.597 7.643 1.209 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.690 4.532 1.998 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.289 3.418 2.841 1.00 0.00 C ATOM 1776 CD ARG A 113 -14.137 3.972 3.975 1.00 0.00 C ATOM 1777 NE ARG A 113 -13.335 4.714 4.945 1.00 0.00 N ATOM 1778 CZ ARG A 113 -13.856 5.478 5.898 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -15.172 5.601 6.009 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -13.061 6.122 6.743 1.00 0.00 N ATOM 0 H ARG A 113 -13.474 3.574 -0.133 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.631 5.396 1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.902 4.117 1.370 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.221 5.262 2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.900 2.772 2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.490 2.801 3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.908 4.625 3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.649 3.152 4.479 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.319 4.641 4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.787 5.108 5.361 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -15.569 6.189 6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.048 6.031 6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -13.462 6.709 7.475 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.230 6.607 -0.246 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.630 7.844 -0.733 1.00 0.00 C ATOM 1796 C PHE A 114 -12.693 8.770 -1.318 1.00 0.00 C ATOM 1797 O PHE A 114 -12.637 9.986 -1.140 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.566 7.539 -1.789 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.562 8.643 -1.964 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -8.666 8.949 -0.953 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -9.516 9.375 -3.140 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -7.741 9.964 -1.112 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -8.593 10.390 -3.304 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.705 10.686 -2.289 1.00 0.00 C ATOM 0 H PHE A 114 -11.866 5.761 -0.685 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.159 8.347 0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.043 6.623 -1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -11.057 7.350 -2.744 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.690 8.388 -0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.209 9.150 -3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.047 10.192 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -8.566 10.952 -4.226 1.00 0.00 H new ATOM 0 HZ PHE A 114 -6.984 11.480 -2.415 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.659 8.184 -2.017 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.735 8.955 -2.627 1.00 0.00 C ATOM 1816 C ALA A 115 -15.593 9.636 -1.566 1.00 0.00 C ATOM 1817 O ALA A 115 -15.951 10.807 -1.699 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.594 8.059 -3.507 1.00 0.00 C ATOM 0 H ALA A 115 -13.719 7.178 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.285 9.731 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.393 8.648 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.978 7.624 -4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -16.027 7.262 -2.902 1.00 0.00 H new ATOM 1824 N LYS A 116 -15.919 8.897 -0.511 1.00 0.00 N ATOM 1825 CA LYS A 116 -16.734 9.428 0.574 1.00 0.00 C ATOM 1826 C LYS A 116 -16.244 10.809 0.997 1.00 0.00 C ATOM 1827 O LYS A 116 -17.042 11.714 1.242 1.00 0.00 O ATOM 1828 CB LYS A 116 -16.708 8.477 1.773 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.353 7.130 1.494 1.00 0.00 C ATOM 1830 CD LYS A 116 -18.857 7.179 1.700 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.220 7.129 3.176 1.00 0.00 C ATOM 1832 NZ LYS A 116 -20.661 7.428 3.404 1.00 0.00 N ATOM 0 H LYS A 116 -15.630 7.927 -0.385 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.758 9.520 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.674 8.319 2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.220 8.949 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.135 6.826 0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.919 6.375 2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.256 8.091 1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.324 6.342 1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.987 6.141 3.574 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -18.609 7.846 3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.868 7.384 4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -20.879 8.380 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -21.244 6.729 2.902 1.00 0.00 H new ATOM 1846 N MET A 117 -14.926 10.965 1.079 1.00 0.00 N ATOM 1847 CA MET A 117 -14.330 12.237 1.470 1.00 0.00 C ATOM 1848 C MET A 117 -14.855 13.374 0.599 1.00 0.00 C ATOM 1849 O MET A 117 -14.298 13.666 -0.460 1.00 0.00 O ATOM 1850 CB MET A 117 -12.805 12.163 1.368 1.00 0.00 C ATOM 1851 CG MET A 117 -12.087 13.146 2.278 1.00 0.00 C ATOM 1852 SD MET A 117 -10.483 13.651 1.626 1.00 0.00 S ATOM 1853 CE MET A 117 -9.633 12.076 1.560 1.00 0.00 C ATOM 0 H MET A 117 -14.251 10.226 0.880 1.00 0.00 H new ATOM 0 HA MET A 117 -14.608 12.437 2.505 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.481 11.151 1.612 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.508 12.352 0.336 1.00 0.00 H new ATOM 0 HG2 MET A 117 -12.712 14.028 2.419 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.950 12.693 3.260 1.00 0.00 H new ATOM 0 HE1 MET A 117 -8.588 12.237 1.295 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.690 11.591 2.534 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.103 11.440 0.810 1.00 0.00 H new