USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 30 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 79 CYS SG : rot 96:sc= 1.06 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0363 USER MOD Single : A 17 ASN : amide:sc= -0.148 K(o=-0.15,f=-7.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -140:sc= -2.79 (180deg=-3.61!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= 0.146 (180deg=0.0523) USER MOD Single : A 46 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.31) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0442 USER MOD Single : A 57 GLN : amide:sc= 0.772 K(o=0.77,f=-1) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -110:sc= -0.623 USER MOD Single : A 65 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.019) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.279 USER MOD Single : A 71 MET CE :methyl -116:sc= -0.142 (180deg=-2.25) USER MOD Single : A 77 TYR OH : rot -12:sc= 0.0342 USER MOD Single : A 81 CYS SG : rot -96:sc= -1.62 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 160:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 1.281 16.304 -2.320 1.00 0.00 N ATOM 81 CA ALA A 9 1.952 15.263 -1.552 1.00 0.00 C ATOM 82 C ALA A 9 2.983 14.530 -2.404 1.00 0.00 C ATOM 83 O ALA A 9 2.769 14.299 -3.595 1.00 0.00 O ATOM 84 CB ALA A 9 0.933 14.281 -0.993 1.00 0.00 C ATOM 0 HA ALA A 9 2.476 15.738 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.448 13.509 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.236 14.810 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.384 13.820 -1.814 1.00 0.00 H new ATOM 90 N LYS A 10 4.103 14.168 -1.788 1.00 0.00 N ATOM 91 CA LYS A 10 5.168 13.461 -2.489 1.00 0.00 C ATOM 92 C LYS A 10 5.476 12.130 -1.811 1.00 0.00 C ATOM 93 O LYS A 10 4.889 11.796 -0.781 1.00 0.00 O ATOM 94 CB LYS A 10 6.432 14.323 -2.541 1.00 0.00 C ATOM 95 CG LYS A 10 6.253 15.618 -3.315 1.00 0.00 C ATOM 96 CD LYS A 10 6.561 15.432 -4.792 1.00 0.00 C ATOM 97 CE LYS A 10 5.958 16.548 -5.631 1.00 0.00 C ATOM 98 NZ LYS A 10 6.615 17.858 -5.366 1.00 0.00 N ATOM 0 H LYS A 10 4.297 14.353 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 10 4.829 13.261 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.744 14.558 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.237 13.746 -2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.230 15.975 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.907 16.385 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.641 15.407 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.171 14.471 -5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.055 16.300 -6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.892 16.627 -5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.176 18.592 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.501 18.107 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.628 17.791 -5.593 1.00 0.00 H new ATOM 112 N PHE A 11 6.400 11.374 -2.393 1.00 0.00 N ATOM 113 CA PHE A 11 6.786 10.079 -1.845 1.00 0.00 C ATOM 114 C PHE A 11 8.237 10.100 -1.371 1.00 0.00 C ATOM 115 O PHE A 11 9.167 10.080 -2.178 1.00 0.00 O ATOM 116 CB PHE A 11 6.595 8.980 -2.892 1.00 0.00 C ATOM 117 CG PHE A 11 5.155 8.635 -3.143 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.455 7.838 -2.251 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.502 9.106 -4.270 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.130 7.519 -2.478 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.177 8.789 -4.503 1.00 0.00 C ATOM 122 CZ PHE A 11 2.490 7.994 -3.606 1.00 0.00 C ATOM 0 H PHE A 11 6.896 11.636 -3.245 1.00 0.00 H new ATOM 0 HA PHE A 11 6.145 9.869 -0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.053 9.298 -3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.124 8.084 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.951 7.462 -1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.034 9.728 -4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.595 6.899 -1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.679 9.163 -5.386 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.455 7.744 -3.786 1.00 0.00 H new ATOM 132 N THR A 12 8.423 10.140 -0.055 1.00 0.00 N ATOM 133 CA THR A 12 9.759 10.165 0.527 1.00 0.00 C ATOM 134 C THR A 12 10.351 8.763 0.605 1.00 0.00 C ATOM 135 O THR A 12 11.521 8.555 0.285 1.00 0.00 O ATOM 136 CB THR A 12 9.745 10.783 1.938 1.00 0.00 C ATOM 137 OG1 THR A 12 8.938 9.988 2.814 1.00 0.00 O ATOM 138 CG2 THR A 12 9.210 12.207 1.900 1.00 0.00 C ATOM 0 H THR A 12 7.665 10.156 0.628 1.00 0.00 H new ATOM 0 HA THR A 12 10.377 10.781 -0.126 1.00 0.00 H new ATOM 0 HB THR A 12 10.769 10.806 2.310 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.936 10.387 3.709 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.210 12.623 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.844 12.817 1.256 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.193 12.203 1.509 1.00 0.00 H new ATOM 146 N GLU A 13 9.535 7.803 1.032 1.00 0.00 N ATOM 147 CA GLU A 13 9.980 6.420 1.151 1.00 0.00 C ATOM 148 C GLU A 13 9.635 5.627 -0.106 1.00 0.00 C ATOM 149 O GLU A 13 10.417 4.793 -0.561 1.00 0.00 O ATOM 150 CB GLU A 13 9.342 5.759 2.375 1.00 0.00 C ATOM 151 CG GLU A 13 9.610 6.499 3.675 1.00 0.00 C ATOM 152 CD GLU A 13 10.966 6.166 4.267 1.00 0.00 C ATOM 153 OE1 GLU A 13 11.988 6.520 3.644 1.00 0.00 O ATOM 154 OE2 GLU A 13 11.004 5.551 5.353 1.00 0.00 O ATOM 0 H GLU A 13 8.563 7.958 1.301 1.00 0.00 H new ATOM 0 HA GLU A 13 11.063 6.423 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.265 5.691 2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.716 4.739 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.549 7.573 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.832 6.251 4.397 1.00 0.00 H new ATOM 161 N GLY A 14 8.458 5.894 -0.663 1.00 0.00 N ATOM 162 CA GLY A 14 8.029 5.197 -1.861 1.00 0.00 C ATOM 163 C GLY A 14 7.770 3.724 -1.614 1.00 0.00 C ATOM 164 O GLY A 14 8.285 3.148 -0.655 1.00 0.00 O ATOM 0 H GLY A 14 7.794 6.581 -0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.121 5.663 -2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.791 5.304 -2.633 1.00 0.00 H new ATOM 168 N LEU A 15 6.970 3.113 -2.480 1.00 0.00 N ATOM 169 CA LEU A 15 6.642 1.697 -2.351 1.00 0.00 C ATOM 170 C LEU A 15 7.885 0.832 -2.529 1.00 0.00 C ATOM 171 O LEU A 15 8.960 1.332 -2.861 1.00 0.00 O ATOM 172 CB LEU A 15 5.580 1.303 -3.380 1.00 0.00 C ATOM 173 CG LEU A 15 4.152 1.761 -3.079 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.262 1.563 -4.296 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.593 1.010 -1.879 1.00 0.00 C ATOM 0 H LEU A 15 6.536 3.575 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 15 6.247 1.531 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.874 1.708 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.580 0.217 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 15 4.174 2.824 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.250 1.894 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.652 2.146 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.245 0.507 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.576 1.349 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.584 -0.059 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.217 1.202 -1.006 1.00 0.00 H new ATOM 187 N ARG A 16 7.730 -0.470 -2.309 1.00 0.00 N ATOM 188 CA ARG A 16 8.840 -1.405 -2.447 1.00 0.00 C ATOM 189 C ARG A 16 8.334 -2.803 -2.789 1.00 0.00 C ATOM 190 O ARG A 16 7.303 -3.242 -2.282 1.00 0.00 O ATOM 191 CB ARG A 16 9.660 -1.450 -1.156 1.00 0.00 C ATOM 192 CG ARG A 16 8.945 -2.138 -0.004 1.00 0.00 C ATOM 193 CD ARG A 16 9.426 -1.617 1.341 1.00 0.00 C ATOM 194 NE ARG A 16 10.703 -2.207 1.732 1.00 0.00 N ATOM 195 CZ ARG A 16 11.214 -2.111 2.954 1.00 0.00 C ATOM 196 NH1 ARG A 16 10.559 -1.452 3.900 1.00 0.00 N ATOM 197 NH2 ARG A 16 12.382 -2.676 3.233 1.00 0.00 N ATOM 0 H ARG A 16 6.847 -0.901 -2.035 1.00 0.00 H new ATOM 0 HA ARG A 16 9.475 -1.058 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.600 -1.967 -1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.912 -0.432 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.871 -1.978 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.113 -3.213 -0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.527 -0.533 1.295 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.678 -1.835 2.103 1.00 0.00 H new ATOM 0 HE ARG A 16 11.232 -2.721 1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.660 -1.017 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.954 -1.380 4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.888 -3.185 2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.773 -2.601 4.172 1.00 0.00 H new ATOM 211 N ASN A 17 9.067 -3.497 -3.654 1.00 0.00 N ATOM 212 CA ASN A 17 8.691 -4.845 -4.066 1.00 0.00 C ATOM 213 C ASN A 17 8.718 -5.803 -2.879 1.00 0.00 C ATOM 214 O ASN A 17 9.684 -5.836 -2.117 1.00 0.00 O ATOM 215 CB ASN A 17 9.633 -5.347 -5.162 1.00 0.00 C ATOM 216 CG ASN A 17 9.607 -4.465 -6.395 1.00 0.00 C ATOM 217 OD1 ASN A 17 8.894 -3.462 -6.440 1.00 0.00 O ATOM 218 ND2 ASN A 17 10.387 -4.836 -7.404 1.00 0.00 N ATOM 0 H ASN A 17 9.924 -3.148 -4.083 1.00 0.00 H new ATOM 0 HA ASN A 17 7.675 -4.808 -4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.650 -5.391 -4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.354 -6.363 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.412 -4.282 -8.260 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.961 -5.675 -7.323 1.00 0.00 H new ATOM 225 N GLU A 18 7.650 -6.581 -2.729 1.00 0.00 N ATOM 226 CA GLU A 18 7.551 -7.540 -1.635 1.00 0.00 C ATOM 227 C GLU A 18 6.950 -8.856 -2.118 1.00 0.00 C ATOM 228 O GLU A 18 6.538 -8.976 -3.271 1.00 0.00 O ATOM 229 CB GLU A 18 6.703 -6.965 -0.499 1.00 0.00 C ATOM 230 CG GLU A 18 5.219 -6.901 -0.819 1.00 0.00 C ATOM 231 CD GLU A 18 4.920 -6.039 -2.030 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.705 -5.106 -2.301 1.00 0.00 O ATOM 233 OE2 GLU A 18 3.902 -6.296 -2.706 1.00 0.00 O ATOM 0 H GLU A 18 6.842 -6.566 -3.351 1.00 0.00 H new ATOM 0 HA GLU A 18 8.557 -7.735 -1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.847 -7.573 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.059 -5.962 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.845 -7.910 -0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.682 -6.508 0.044 1.00 0.00 H new ATOM 240 N GLU A 19 6.903 -9.841 -1.226 1.00 0.00 N ATOM 241 CA GLU A 19 6.353 -11.149 -1.562 1.00 0.00 C ATOM 242 C GLU A 19 5.335 -11.596 -0.517 1.00 0.00 C ATOM 243 O GLU A 19 5.168 -10.951 0.518 1.00 0.00 O ATOM 244 CB GLU A 19 7.474 -12.185 -1.673 1.00 0.00 C ATOM 245 CG GLU A 19 8.230 -12.405 -0.373 1.00 0.00 C ATOM 246 CD GLU A 19 9.471 -13.257 -0.558 1.00 0.00 C ATOM 247 OE1 GLU A 19 10.474 -12.736 -1.089 1.00 0.00 O ATOM 248 OE2 GLU A 19 9.439 -14.444 -0.171 1.00 0.00 O ATOM 0 H GLU A 19 7.239 -9.758 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 19 5.848 -11.066 -2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.049 -13.134 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.177 -11.867 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.515 -11.440 0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.570 -12.883 0.351 1.00 0.00 H new ATOM 255 N ALA A 20 4.656 -12.704 -0.796 1.00 0.00 N ATOM 256 CA ALA A 20 3.655 -13.238 0.119 1.00 0.00 C ATOM 257 C ALA A 20 3.234 -14.646 -0.289 1.00 0.00 C ATOM 258 O ALA A 20 3.727 -15.191 -1.276 1.00 0.00 O ATOM 259 CB ALA A 20 2.445 -12.317 0.174 1.00 0.00 C ATOM 0 H ALA A 20 4.781 -13.249 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 20 4.100 -13.294 1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.706 -12.728 0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.754 -11.331 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.008 -12.231 -0.821 1.00 0.00 H new ATOM 265 N VAL A 21 2.318 -15.230 0.478 1.00 0.00 N ATOM 266 CA VAL A 21 1.830 -16.574 0.195 1.00 0.00 C ATOM 267 C VAL A 21 0.344 -16.559 -0.148 1.00 0.00 C ATOM 268 O VAL A 21 -0.435 -15.827 0.460 1.00 0.00 O ATOM 269 CB VAL A 21 2.059 -17.517 1.392 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.679 -18.944 1.027 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.505 -17.444 1.858 1.00 0.00 C ATOM 0 H VAL A 21 1.900 -14.793 1.299 1.00 0.00 H new ATOM 0 HA VAL A 21 2.394 -16.942 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 21 1.420 -17.195 2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.847 -19.596 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.627 -18.980 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.290 -19.281 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.649 -18.116 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.165 -17.740 1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.738 -16.423 2.162 1.00 0.00 H new ATOM 281 N GLU A 22 -0.040 -17.372 -1.127 1.00 0.00 N ATOM 282 CA GLU A 22 -1.433 -17.450 -1.552 1.00 0.00 C ATOM 283 C GLU A 22 -2.368 -17.468 -0.347 1.00 0.00 C ATOM 284 O GLU A 22 -2.100 -18.135 0.652 1.00 0.00 O ATOM 285 CB GLU A 22 -1.659 -18.700 -2.405 1.00 0.00 C ATOM 286 CG GLU A 22 -1.198 -18.546 -3.845 1.00 0.00 C ATOM 287 CD GLU A 22 -1.771 -19.613 -4.758 1.00 0.00 C ATOM 288 OE1 GLU A 22 -2.979 -19.906 -4.644 1.00 0.00 O ATOM 289 OE2 GLU A 22 -1.009 -20.154 -5.587 1.00 0.00 O ATOM 0 H GLU A 22 0.593 -17.985 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.655 -16.566 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.132 -19.539 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.720 -18.948 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.491 -17.563 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.109 -18.589 -3.881 1.00 0.00 H new ATOM 296 N GLY A 23 -3.469 -16.728 -0.449 1.00 0.00 N ATOM 297 CA GLY A 23 -4.428 -16.671 0.639 1.00 0.00 C ATOM 298 C GLY A 23 -4.044 -15.657 1.698 1.00 0.00 C ATOM 299 O GLY A 23 -4.905 -14.987 2.267 1.00 0.00 O ATOM 0 H GLY A 23 -3.713 -16.167 -1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.411 -16.420 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.512 -17.656 1.097 1.00 0.00 H new ATOM 303 N ALA A 24 -2.747 -15.544 1.965 1.00 0.00 N ATOM 304 CA ALA A 24 -2.251 -14.604 2.962 1.00 0.00 C ATOM 305 C ALA A 24 -2.711 -13.183 2.655 1.00 0.00 C ATOM 306 O ALA A 24 -3.437 -12.950 1.688 1.00 0.00 O ATOM 307 CB ALA A 24 -0.732 -14.665 3.036 1.00 0.00 C ATOM 0 H ALA A 24 -2.021 -16.092 1.504 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.663 -14.889 3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.376 -13.958 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.421 -15.673 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.310 -14.408 2.064 1.00 0.00 H new ATOM 313 N THR A 25 -2.285 -12.235 3.483 1.00 0.00 N ATOM 314 CA THR A 25 -2.655 -10.838 3.301 1.00 0.00 C ATOM 315 C THR A 25 -1.429 -9.977 3.015 1.00 0.00 C ATOM 316 O THR A 25 -0.623 -9.713 3.906 1.00 0.00 O ATOM 317 CB THR A 25 -3.380 -10.282 4.541 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.438 -11.166 4.926 1.00 0.00 O ATOM 319 CG2 THR A 25 -3.945 -8.897 4.262 1.00 0.00 C ATOM 0 H THR A 25 -1.683 -12.410 4.287 1.00 0.00 H new ATOM 0 HA THR A 25 -3.331 -10.799 2.447 1.00 0.00 H new ATOM 0 HB THR A 25 -2.658 -10.205 5.354 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.893 -10.807 5.716 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.452 -8.525 5.152 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.133 -8.219 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.655 -8.953 3.437 1.00 0.00 H new ATOM 327 N ALA A 26 -1.295 -9.543 1.766 1.00 0.00 N ATOM 328 CA ALA A 26 -0.169 -8.710 1.364 1.00 0.00 C ATOM 329 C ALA A 26 0.027 -7.547 2.331 1.00 0.00 C ATOM 330 O ALA A 26 -0.727 -7.392 3.290 1.00 0.00 O ATOM 331 CB ALA A 26 -0.374 -8.192 -0.052 1.00 0.00 C ATOM 0 H ALA A 26 -1.952 -9.755 1.015 1.00 0.00 H new ATOM 0 HA ALA A 26 0.731 -9.324 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.475 -7.571 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.456 -9.034 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.288 -7.599 -0.094 1.00 0.00 H new ATOM 337 N MET A 27 1.046 -6.733 2.072 1.00 0.00 N ATOM 338 CA MET A 27 1.340 -5.584 2.921 1.00 0.00 C ATOM 339 C MET A 27 2.111 -4.520 2.146 1.00 0.00 C ATOM 340 O MET A 27 3.293 -4.692 1.845 1.00 0.00 O ATOM 341 CB MET A 27 2.142 -6.021 4.147 1.00 0.00 C ATOM 342 CG MET A 27 2.482 -4.879 5.090 1.00 0.00 C ATOM 343 SD MET A 27 1.070 -4.352 6.080 1.00 0.00 S ATOM 344 CE MET A 27 0.333 -3.131 4.995 1.00 0.00 C ATOM 0 H MET A 27 1.681 -6.848 1.282 1.00 0.00 H new ATOM 0 HA MET A 27 0.394 -5.154 3.250 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.574 -6.775 4.692 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.066 -6.495 3.816 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.290 -5.189 5.753 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.851 -4.032 4.511 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.011 -2.281 5.584 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.074 -2.794 4.270 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.513 -3.575 4.469 1.00 0.00 H new ATOM 354 N LEU A 28 1.436 -3.422 1.827 1.00 0.00 N ATOM 355 CA LEU A 28 2.059 -2.329 1.087 1.00 0.00 C ATOM 356 C LEU A 28 1.888 -1.005 1.825 1.00 0.00 C ATOM 357 O LEU A 28 0.774 -0.504 1.971 1.00 0.00 O ATOM 358 CB LEU A 28 1.454 -2.226 -0.314 1.00 0.00 C ATOM 359 CG LEU A 28 1.779 -3.375 -1.271 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.735 -3.461 -2.373 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.169 -3.199 -1.863 1.00 0.00 C ATOM 0 H LEU A 28 0.458 -3.264 2.069 1.00 0.00 H new ATOM 0 HA LEU A 28 3.125 -2.542 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.371 -2.156 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.794 -1.295 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 28 1.762 -4.308 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.982 -4.283 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.246 -3.635 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.720 -2.527 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.383 -4.025 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.214 -2.258 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.907 -3.187 -1.061 1.00 0.00 H new ATOM 373 N TRP A 29 3.000 -0.444 2.287 1.00 0.00 N ATOM 374 CA TRP A 29 2.974 0.824 3.008 1.00 0.00 C ATOM 375 C TRP A 29 3.863 1.857 2.325 1.00 0.00 C ATOM 376 O TRP A 29 4.745 1.508 1.540 1.00 0.00 O ATOM 377 CB TRP A 29 3.425 0.620 4.455 1.00 0.00 C ATOM 378 CG TRP A 29 4.906 0.436 4.595 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.588 -0.747 4.602 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.886 1.468 4.750 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.933 -0.513 4.753 1.00 0.00 N ATOM 382 CE2 TRP A 29 7.143 0.838 4.845 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.826 2.863 4.816 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.325 1.555 5.003 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.001 3.573 4.974 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.236 2.919 5.065 1.00 0.00 C ATOM 0 H TRP A 29 3.930 -0.847 2.175 1.00 0.00 H new ATOM 0 HA TRP A 29 1.949 1.196 3.004 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.115 1.480 5.049 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.917 -0.252 4.867 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.136 -1.723 4.503 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.658 -1.229 4.791 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.879 3.377 4.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.279 1.053 5.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.966 4.651 5.028 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.136 3.503 5.187 1.00 0.00 H new ATOM 397 N CYS A 30 3.627 3.128 2.630 1.00 0.00 N ATOM 398 CA CYS A 30 4.408 4.212 2.044 1.00 0.00 C ATOM 399 C CYS A 30 4.197 5.512 2.815 1.00 0.00 C ATOM 400 O CYS A 30 3.146 5.721 3.420 1.00 0.00 O ATOM 401 CB CYS A 30 4.027 4.408 0.576 1.00 0.00 C ATOM 402 SG CYS A 30 2.256 4.641 0.298 1.00 0.00 S ATOM 0 H CYS A 30 2.902 3.433 3.279 1.00 0.00 H new ATOM 0 HA CYS A 30 5.462 3.941 2.105 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.562 5.273 0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.363 3.542 0.006 1.00 0.00 H new ATOM 0 HG CYS A 30 2.034 4.800 -0.973 1.00 0.00 H new ATOM 408 N GLU A 31 5.203 6.380 2.788 1.00 0.00 N ATOM 409 CA GLU A 31 5.128 7.657 3.487 1.00 0.00 C ATOM 410 C GLU A 31 4.993 8.811 2.497 1.00 0.00 C ATOM 411 O GLU A 31 5.275 8.660 1.307 1.00 0.00 O ATOM 412 CB GLU A 31 6.368 7.861 4.359 1.00 0.00 C ATOM 413 CG GLU A 31 6.214 7.323 5.771 1.00 0.00 C ATOM 414 CD GLU A 31 7.456 7.535 6.615 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.227 8.470 6.311 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.658 6.767 7.579 1.00 0.00 O ATOM 0 H GLU A 31 6.079 6.222 2.290 1.00 0.00 H new ATOM 0 HA GLU A 31 4.244 7.642 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.220 7.374 3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.596 8.926 4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.366 7.811 6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.987 6.258 5.727 1.00 0.00 H new ATOM 423 N LEU A 32 4.561 9.964 2.997 1.00 0.00 N ATOM 424 CA LEU A 32 4.388 11.144 2.158 1.00 0.00 C ATOM 425 C LEU A 32 4.831 12.405 2.894 1.00 0.00 C ATOM 426 O LEU A 32 4.723 12.492 4.117 1.00 0.00 O ATOM 427 CB LEU A 32 2.927 11.278 1.726 1.00 0.00 C ATOM 428 CG LEU A 32 2.244 9.992 1.260 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.751 10.047 1.543 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.499 9.760 -0.222 1.00 0.00 C ATOM 0 H LEU A 32 4.324 10.106 3.979 1.00 0.00 H new ATOM 0 HA LEU A 32 5.012 11.024 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.358 11.686 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.873 12.007 0.918 1.00 0.00 H new ATOM 0 HG LEU A 32 2.668 9.156 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.282 9.123 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.588 10.165 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.311 10.892 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.006 8.840 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.103 10.598 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.571 9.675 -0.398 1.00 0.00 H new ATOM 442 N SER A 33 5.327 13.381 2.140 1.00 0.00 N ATOM 443 CA SER A 33 5.787 14.637 2.720 1.00 0.00 C ATOM 444 C SER A 33 4.730 15.224 3.652 1.00 0.00 C ATOM 445 O SER A 33 5.035 16.049 4.514 1.00 0.00 O ATOM 446 CB SER A 33 6.124 15.641 1.616 1.00 0.00 C ATOM 447 OG SER A 33 6.322 16.938 2.150 1.00 0.00 O ATOM 0 H SER A 33 5.420 13.326 1.126 1.00 0.00 H new ATOM 0 HA SER A 33 6.686 14.432 3.301 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.023 15.320 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.317 15.665 0.883 1.00 0.00 H new ATOM 0 HG SER A 33 6.538 17.561 1.425 1.00 0.00 H new ATOM 453 N LYS A 34 3.487 14.792 3.472 1.00 0.00 N ATOM 454 CA LYS A 34 2.383 15.272 4.296 1.00 0.00 C ATOM 455 C LYS A 34 1.190 14.326 4.211 1.00 0.00 C ATOM 456 O LYS A 34 1.084 13.526 3.281 1.00 0.00 O ATOM 457 CB LYS A 34 1.966 16.678 3.857 1.00 0.00 C ATOM 458 CG LYS A 34 1.866 16.840 2.350 1.00 0.00 C ATOM 459 CD LYS A 34 0.866 17.919 1.971 1.00 0.00 C ATOM 460 CE LYS A 34 -0.538 17.350 1.825 1.00 0.00 C ATOM 461 NZ LYS A 34 -1.501 18.372 1.328 1.00 0.00 N ATOM 0 H LYS A 34 3.218 14.110 2.763 1.00 0.00 H new ATOM 0 HA LYS A 34 2.723 15.307 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.002 16.918 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.686 17.399 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.846 17.092 1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.569 15.893 1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.866 18.700 2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.170 18.386 1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.518 16.505 1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.878 16.969 2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.446 17.946 1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.539 19.167 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.191 18.718 0.397 1.00 0.00 H new ATOM 475 N VAL A 35 0.291 14.425 5.186 1.00 0.00 N ATOM 476 CA VAL A 35 -0.896 13.580 5.219 1.00 0.00 C ATOM 477 C VAL A 35 -1.882 13.974 4.125 1.00 0.00 C ATOM 478 O VAL A 35 -2.423 15.079 4.131 1.00 0.00 O ATOM 479 CB VAL A 35 -1.604 13.661 6.585 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.687 12.598 6.689 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.596 13.520 7.716 1.00 0.00 C ATOM 0 H VAL A 35 0.363 15.082 5.963 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.561 12.557 5.051 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.079 14.638 6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.176 12.671 7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.423 12.750 5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.239 11.610 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.113 13.580 8.674 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.091 12.557 7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.139 14.322 7.650 1.00 0.00 H new ATOM 491 N ALA A 36 -2.111 13.062 3.186 1.00 0.00 N ATOM 492 CA ALA A 36 -3.033 13.312 2.086 1.00 0.00 C ATOM 493 C ALA A 36 -3.750 12.033 1.668 1.00 0.00 C ATOM 494 O ALA A 36 -3.262 10.922 1.878 1.00 0.00 O ATOM 495 CB ALA A 36 -2.291 13.914 0.902 1.00 0.00 C ATOM 0 H ALA A 36 -1.670 12.143 3.165 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.785 14.023 2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.992 14.096 0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.831 14.856 1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.518 13.223 0.568 1.00 0.00 H new ATOM 501 N PRO A 37 -4.937 12.189 1.062 1.00 0.00 N ATOM 502 CA PRO A 37 -5.746 11.056 0.603 1.00 0.00 C ATOM 503 C PRO A 37 -5.120 10.343 -0.591 1.00 0.00 C ATOM 504 O PRO A 37 -5.140 10.853 -1.712 1.00 0.00 O ATOM 505 CB PRO A 37 -7.072 11.708 0.202 1.00 0.00 C ATOM 506 CG PRO A 37 -6.717 13.115 -0.133 1.00 0.00 C ATOM 507 CD PRO A 37 -5.579 13.483 0.779 1.00 0.00 C ATOM 0 HA PRO A 37 -5.847 10.289 1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.521 11.199 -0.651 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.796 11.666 1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.424 13.205 -1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.568 13.779 0.018 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.889 14.178 0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.934 13.964 1.691 1.00 0.00 H new ATOM 515 N VAL A 38 -4.565 9.161 -0.344 1.00 0.00 N ATOM 516 CA VAL A 38 -3.935 8.377 -1.399 1.00 0.00 C ATOM 517 C VAL A 38 -4.958 7.516 -2.130 1.00 0.00 C ATOM 518 O VAL A 38 -6.101 7.388 -1.693 1.00 0.00 O ATOM 519 CB VAL A 38 -2.825 7.469 -0.837 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.686 8.305 -0.271 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.388 6.533 0.222 1.00 0.00 C ATOM 0 H VAL A 38 -4.539 8.725 0.578 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.495 9.086 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.428 6.863 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.911 7.646 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.266 8.929 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.064 8.939 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.590 5.899 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.812 7.119 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.165 5.910 -0.220 1.00 0.00 H new ATOM 531 N GLU A 39 -4.540 6.927 -3.246 1.00 0.00 N ATOM 532 CA GLU A 39 -5.421 6.078 -4.039 1.00 0.00 C ATOM 533 C GLU A 39 -4.646 4.922 -4.664 1.00 0.00 C ATOM 534 O GLU A 39 -3.887 5.112 -5.614 1.00 0.00 O ATOM 535 CB GLU A 39 -6.107 6.898 -5.134 1.00 0.00 C ATOM 536 CG GLU A 39 -6.907 8.075 -4.602 1.00 0.00 C ATOM 537 CD GLU A 39 -8.321 7.690 -4.211 1.00 0.00 C ATOM 538 OE1 GLU A 39 -8.824 6.672 -4.732 1.00 0.00 O ATOM 539 OE2 GLU A 39 -8.925 8.406 -3.385 1.00 0.00 O ATOM 0 H GLU A 39 -3.596 7.022 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.180 5.666 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.351 7.267 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.770 6.246 -5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.396 8.495 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.944 8.857 -5.360 1.00 0.00 H new ATOM 546 N TRP A 40 -4.843 3.725 -4.123 1.00 0.00 N ATOM 547 CA TRP A 40 -4.162 2.538 -4.627 1.00 0.00 C ATOM 548 C TRP A 40 -4.809 2.046 -5.917 1.00 0.00 C ATOM 549 O TRP A 40 -6.021 2.163 -6.098 1.00 0.00 O ATOM 550 CB TRP A 40 -4.183 1.428 -3.576 1.00 0.00 C ATOM 551 CG TRP A 40 -3.703 1.876 -2.228 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.400 2.611 -1.313 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.419 1.620 -1.647 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.627 2.827 -0.197 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.408 2.229 -0.377 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.280 0.934 -2.075 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.301 2.172 0.466 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.182 0.879 -1.238 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.199 1.494 0.021 1.00 0.00 C ATOM 0 H TRP A 40 -5.468 3.551 -3.336 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.127 2.806 -4.841 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.199 1.045 -3.483 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.561 0.601 -3.919 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.410 2.970 -1.446 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.915 3.348 0.631 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.258 0.455 -3.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.312 2.646 1.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.705 0.353 -1.560 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.675 1.432 0.652 1.00 0.00 H new ATOM 570 N ARG A 41 -3.993 1.494 -6.810 1.00 0.00 N ATOM 571 CA ARG A 41 -4.487 0.985 -8.084 1.00 0.00 C ATOM 572 C ARG A 41 -3.606 -0.151 -8.594 1.00 0.00 C ATOM 573 O ARG A 41 -2.458 -0.298 -8.173 1.00 0.00 O ATOM 574 CB ARG A 41 -4.540 2.109 -9.121 1.00 0.00 C ATOM 575 CG ARG A 41 -5.843 2.892 -9.104 1.00 0.00 C ATOM 576 CD ARG A 41 -5.720 4.195 -9.879 1.00 0.00 C ATOM 577 NE ARG A 41 -5.806 3.983 -11.322 1.00 0.00 N ATOM 578 CZ ARG A 41 -5.747 4.967 -12.213 1.00 0.00 C ATOM 579 NH1 ARG A 41 -5.602 6.222 -11.811 1.00 0.00 N ATOM 580 NH2 ARG A 41 -5.832 4.695 -13.509 1.00 0.00 N ATOM 0 H ARG A 41 -2.988 1.388 -6.675 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.494 0.598 -7.926 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.711 2.795 -8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.395 1.683 -10.114 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.639 2.285 -9.535 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.127 3.106 -8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.508 4.879 -9.565 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.770 4.672 -9.638 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.917 3.028 -11.664 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.535 6.434 -10.816 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.557 6.975 -12.497 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.943 3.730 -13.821 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.787 5.451 -14.193 1.00 0.00 H new ATOM 594 N LYS A 42 -4.150 -0.953 -9.503 1.00 0.00 N ATOM 595 CA LYS A 42 -3.414 -2.075 -10.072 1.00 0.00 C ATOM 596 C LYS A 42 -3.487 -2.058 -11.596 1.00 0.00 C ATOM 597 O LYS A 42 -4.406 -2.620 -12.189 1.00 0.00 O ATOM 598 CB LYS A 42 -3.969 -3.398 -9.540 1.00 0.00 C ATOM 599 CG LYS A 42 -3.026 -4.573 -9.727 1.00 0.00 C ATOM 600 CD LYS A 42 -3.599 -5.849 -9.133 1.00 0.00 C ATOM 601 CE LYS A 42 -2.873 -7.081 -9.652 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.741 -8.291 -9.619 1.00 0.00 N ATOM 0 H LYS A 42 -5.099 -0.846 -9.862 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.370 -1.980 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.193 -3.288 -8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.911 -3.616 -10.043 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.833 -4.720 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.068 -4.350 -9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.523 -5.812 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.659 -5.921 -9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.538 -6.902 -10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.981 -7.257 -9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.151 -9.144 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.267 -8.317 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.412 -8.259 -10.413 1.00 0.00 H new ATOM 616 N GLY A 43 -2.511 -1.409 -12.223 1.00 0.00 N ATOM 617 CA GLY A 43 -2.483 -1.332 -13.672 1.00 0.00 C ATOM 618 C GLY A 43 -3.807 -0.877 -14.254 1.00 0.00 C ATOM 619 O GLY A 43 -4.293 0.217 -13.967 1.00 0.00 O ATOM 0 H GLY A 43 -1.739 -0.935 -11.754 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.698 -0.642 -13.981 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.227 -2.310 -14.080 1.00 0.00 H new ATOM 623 N PRO A 44 -4.412 -1.730 -15.094 1.00 0.00 N ATOM 624 CA PRO A 44 -5.696 -1.432 -15.736 1.00 0.00 C ATOM 625 C PRO A 44 -6.854 -1.433 -14.745 1.00 0.00 C ATOM 626 O PRO A 44 -7.882 -0.797 -14.977 1.00 0.00 O ATOM 627 CB PRO A 44 -5.858 -2.568 -16.749 1.00 0.00 C ATOM 628 CG PRO A 44 -5.051 -3.690 -16.193 1.00 0.00 C ATOM 629 CD PRO A 44 -3.891 -3.052 -15.481 1.00 0.00 C ATOM 0 HA PRO A 44 -5.707 -0.438 -16.184 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.904 -2.851 -16.862 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.499 -2.273 -17.735 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.644 -4.295 -15.508 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.705 -4.353 -16.986 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.585 -3.633 -14.611 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.019 -2.966 -16.130 1.00 0.00 H new ATOM 637 N GLU A 45 -6.680 -2.150 -13.639 1.00 0.00 N ATOM 638 CA GLU A 45 -7.713 -2.232 -12.612 1.00 0.00 C ATOM 639 C GLU A 45 -7.640 -1.035 -11.669 1.00 0.00 C ATOM 640 O GLU A 45 -6.770 -0.175 -11.807 1.00 0.00 O ATOM 641 CB GLU A 45 -7.569 -3.531 -11.817 1.00 0.00 C ATOM 642 CG GLU A 45 -8.280 -4.715 -12.451 1.00 0.00 C ATOM 643 CD GLU A 45 -7.916 -4.901 -13.911 1.00 0.00 C ATOM 644 OE1 GLU A 45 -8.456 -4.157 -14.757 1.00 0.00 O ATOM 645 OE2 GLU A 45 -7.091 -5.790 -14.207 1.00 0.00 O ATOM 0 H GLU A 45 -5.835 -2.682 -13.431 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.684 -2.222 -13.108 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.510 -3.767 -11.712 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.962 -3.377 -10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.030 -5.622 -11.900 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.358 -4.576 -12.364 1.00 0.00 H new ATOM 652 N ASN A 46 -8.560 -0.986 -10.712 1.00 0.00 N ATOM 653 CA ASN A 46 -8.601 0.106 -9.746 1.00 0.00 C ATOM 654 C ASN A 46 -8.942 -0.413 -8.352 1.00 0.00 C ATOM 655 O ASN A 46 -9.916 -1.145 -8.171 1.00 0.00 O ATOM 656 CB ASN A 46 -9.627 1.156 -10.176 1.00 0.00 C ATOM 657 CG ASN A 46 -9.580 1.435 -11.666 1.00 0.00 C ATOM 658 OD1 ASN A 46 -8.916 2.370 -12.113 1.00 0.00 O ATOM 659 ND2 ASN A 46 -10.285 0.621 -12.443 1.00 0.00 N ATOM 0 H ASN A 46 -9.287 -1.690 -10.584 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.613 0.565 -9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.626 0.816 -9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.446 2.082 -9.630 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.290 0.758 -13.454 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.821 -0.142 -12.029 1.00 0.00 H new ATOM 666 N LEU A 47 -8.134 -0.028 -7.370 1.00 0.00 N ATOM 667 CA LEU A 47 -8.349 -0.453 -5.992 1.00 0.00 C ATOM 668 C LEU A 47 -8.822 0.713 -5.130 1.00 0.00 C ATOM 669 O LEU A 47 -8.732 1.872 -5.534 1.00 0.00 O ATOM 670 CB LEU A 47 -7.062 -1.043 -5.412 1.00 0.00 C ATOM 671 CG LEU A 47 -6.180 -1.820 -6.389 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.830 -2.128 -5.761 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.872 -3.103 -6.827 1.00 0.00 C ATOM 0 H LEU A 47 -7.324 0.578 -7.503 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.124 -1.219 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.472 -0.230 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.329 -1.706 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.014 -1.201 -7.270 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.216 -2.682 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.330 -1.196 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.975 -2.728 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.230 -3.644 -7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.068 -3.727 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.814 -2.859 -7.318 1.00 0.00 H new ATOM 685 N ARG A 48 -9.322 0.398 -3.939 1.00 0.00 N ATOM 686 CA ARG A 48 -9.807 1.420 -3.020 1.00 0.00 C ATOM 687 C ARG A 48 -10.141 0.813 -1.660 1.00 0.00 C ATOM 688 O ARG A 48 -10.175 -0.408 -1.505 1.00 0.00 O ATOM 689 CB ARG A 48 -11.042 2.112 -3.599 1.00 0.00 C ATOM 690 CG ARG A 48 -12.164 1.153 -3.963 1.00 0.00 C ATOM 691 CD ARG A 48 -13.422 1.899 -4.379 1.00 0.00 C ATOM 692 NE ARG A 48 -14.503 0.988 -4.745 1.00 0.00 N ATOM 693 CZ ARG A 48 -15.703 1.394 -5.143 1.00 0.00 C ATOM 694 NH1 ARG A 48 -15.974 2.689 -5.227 1.00 0.00 N ATOM 695 NH2 ARG A 48 -16.635 0.504 -5.459 1.00 0.00 N ATOM 0 H ARG A 48 -9.402 -0.557 -3.589 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.016 2.158 -2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.415 2.836 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.751 2.671 -4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.839 0.503 -4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.386 0.511 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.750 2.541 -3.561 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.195 2.550 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.327 -0.015 -4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.260 3.376 -4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.897 2.998 -5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.430 -0.493 -5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.556 0.817 -5.765 1.00 0.00 H new ATOM 709 N ASP A 49 -10.387 1.674 -0.679 1.00 0.00 N ATOM 710 CA ASP A 49 -10.719 1.223 0.668 1.00 0.00 C ATOM 711 C ASP A 49 -12.071 0.515 0.687 1.00 0.00 C ATOM 712 O ASP A 49 -13.109 1.132 0.453 1.00 0.00 O ATOM 713 CB ASP A 49 -10.737 2.408 1.636 1.00 0.00 C ATOM 714 CG ASP A 49 -12.064 3.140 1.630 1.00 0.00 C ATOM 715 OD1 ASP A 49 -12.960 2.753 2.409 1.00 0.00 O ATOM 716 OD2 ASP A 49 -12.207 4.102 0.846 1.00 0.00 O ATOM 0 H ASP A 49 -10.363 2.688 -0.791 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.954 0.515 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.526 2.053 2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.941 3.103 1.370 1.00 0.00 H new ATOM 721 N GLY A 50 -12.049 -0.785 0.965 1.00 0.00 N ATOM 722 CA GLY A 50 -13.278 -1.555 1.007 1.00 0.00 C ATOM 723 C GLY A 50 -13.158 -2.789 1.879 1.00 0.00 C ATOM 724 O GLY A 50 -12.216 -2.917 2.660 1.00 0.00 O ATOM 0 H GLY A 50 -11.202 -1.318 1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.085 -0.926 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.551 -1.854 -0.005 1.00 0.00 H new ATOM 728 N ASP A 51 -14.117 -3.700 1.746 1.00 0.00 N ATOM 729 CA ASP A 51 -14.116 -4.930 2.529 1.00 0.00 C ATOM 730 C ASP A 51 -12.904 -5.792 2.186 1.00 0.00 C ATOM 731 O ASP A 51 -12.019 -5.994 3.016 1.00 0.00 O ATOM 732 CB ASP A 51 -15.403 -5.718 2.282 1.00 0.00 C ATOM 733 CG ASP A 51 -16.646 -4.873 2.484 1.00 0.00 C ATOM 734 OD1 ASP A 51 -17.080 -4.215 1.515 1.00 0.00 O ATOM 735 OD2 ASP A 51 -17.185 -4.871 3.610 1.00 0.00 O ATOM 0 H ASP A 51 -14.904 -3.609 1.104 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.061 -4.660 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.396 -6.111 1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.436 -6.575 2.955 1.00 0.00 H new ATOM 740 N ARG A 52 -12.873 -6.297 0.957 1.00 0.00 N ATOM 741 CA ARG A 52 -11.772 -7.138 0.504 1.00 0.00 C ATOM 742 C ARG A 52 -10.437 -6.414 0.655 1.00 0.00 C ATOM 743 O ARG A 52 -9.430 -7.018 1.026 1.00 0.00 O ATOM 744 CB ARG A 52 -11.980 -7.547 -0.955 1.00 0.00 C ATOM 745 CG ARG A 52 -12.227 -6.372 -1.887 1.00 0.00 C ATOM 746 CD ARG A 52 -12.920 -6.812 -3.167 1.00 0.00 C ATOM 747 NE ARG A 52 -14.341 -7.076 -2.958 1.00 0.00 N ATOM 748 CZ ARG A 52 -15.200 -7.303 -3.946 1.00 0.00 C ATOM 749 NH1 ARG A 52 -14.783 -7.300 -5.204 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.478 -7.534 -3.675 1.00 0.00 N ATOM 0 H ARG A 52 -13.598 -6.138 0.257 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.753 -8.033 1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.102 -8.094 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.826 -8.231 -1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.838 -5.626 -1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.278 -5.894 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.803 -6.039 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.437 -7.711 -3.550 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.694 -7.087 -2.001 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.801 -7.123 -5.415 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.444 -7.475 -5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.802 -7.537 -2.708 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.137 -7.708 -4.434 1.00 0.00 H new ATOM 764 N TYR A 53 -10.437 -5.118 0.365 1.00 0.00 N ATOM 765 CA TYR A 53 -9.226 -4.312 0.465 1.00 0.00 C ATOM 766 C TYR A 53 -9.219 -3.497 1.755 1.00 0.00 C ATOM 767 O TYR A 53 -9.907 -2.481 1.863 1.00 0.00 O ATOM 768 CB TYR A 53 -9.106 -3.380 -0.742 1.00 0.00 C ATOM 769 CG TYR A 53 -8.755 -4.096 -2.027 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.473 -4.583 -2.245 1.00 0.00 C ATOM 771 CD2 TYR A 53 -9.706 -4.283 -3.023 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.147 -5.236 -3.418 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.389 -4.937 -4.198 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.109 -5.411 -4.391 1.00 0.00 C ATOM 775 OH TYR A 53 -7.789 -6.062 -5.561 1.00 0.00 O ATOM 0 H TYR A 53 -11.262 -4.603 0.059 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.371 -4.988 0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.049 -2.850 -0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.345 -2.628 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.718 -4.449 -1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.709 -3.911 -2.876 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.145 -5.607 -3.572 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.140 -5.076 -4.961 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.579 -6.102 -6.140 1.00 0.00 H new ATOM 785 N ILE A 54 -8.437 -3.949 2.729 1.00 0.00 N ATOM 786 CA ILE A 54 -8.339 -3.261 4.010 1.00 0.00 C ATOM 787 C ILE A 54 -7.290 -2.156 3.962 1.00 0.00 C ATOM 788 O ILE A 54 -6.092 -2.417 4.082 1.00 0.00 O ATOM 789 CB ILE A 54 -7.989 -4.238 5.148 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.040 -5.345 5.242 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.877 -3.493 6.470 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.601 -6.526 6.078 1.00 0.00 C ATOM 0 H ILE A 54 -7.862 -4.788 2.656 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.317 -2.821 4.208 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.025 -4.697 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.955 -4.931 5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.282 -5.691 4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.629 -4.197 7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.094 -2.738 6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.827 -3.010 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.396 -7.272 6.100 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.703 -6.966 5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.387 -6.193 7.094 1.00 0.00 H new ATOM 804 N LEU A 55 -7.747 -0.921 3.788 1.00 0.00 N ATOM 805 CA LEU A 55 -6.847 0.226 3.726 1.00 0.00 C ATOM 806 C LEU A 55 -6.860 1.000 5.040 1.00 0.00 C ATOM 807 O LEU A 55 -7.862 1.011 5.755 1.00 0.00 O ATOM 808 CB LEU A 55 -7.245 1.149 2.573 1.00 0.00 C ATOM 809 CG LEU A 55 -6.959 0.626 1.165 1.00 0.00 C ATOM 810 CD1 LEU A 55 -7.807 -0.601 0.869 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.211 1.713 0.130 1.00 0.00 C ATOM 0 H LEU A 55 -8.735 -0.688 3.687 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.836 -0.145 3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.312 1.357 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.725 2.099 2.699 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.909 0.338 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.590 -0.959 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.577 -1.385 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.863 -0.340 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.002 1.322 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.252 2.032 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.560 2.564 0.330 1.00 0.00 H new ATOM 823 N ARG A 56 -5.742 1.648 5.351 1.00 0.00 N ATOM 824 CA ARG A 56 -5.626 2.426 6.578 1.00 0.00 C ATOM 825 C ARG A 56 -4.668 3.599 6.390 1.00 0.00 C ATOM 826 O ARG A 56 -3.862 3.611 5.459 1.00 0.00 O ATOM 827 CB ARG A 56 -5.142 1.538 7.726 1.00 0.00 C ATOM 828 CG ARG A 56 -6.251 0.730 8.380 1.00 0.00 C ATOM 829 CD ARG A 56 -5.756 0.011 9.625 1.00 0.00 C ATOM 830 NE ARG A 56 -6.816 -0.762 10.268 1.00 0.00 N ATOM 831 CZ ARG A 56 -6.741 -1.217 11.514 1.00 0.00 C ATOM 832 NH1 ARG A 56 -5.662 -0.977 12.247 1.00 0.00 N ATOM 833 NH2 ARG A 56 -7.746 -1.913 12.029 1.00 0.00 N ATOM 0 H ARG A 56 -4.904 1.649 4.770 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.612 2.820 6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.380 0.855 7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.665 2.163 8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.077 1.391 8.644 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.640 0.002 7.668 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.934 -0.653 9.358 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.360 0.740 10.331 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.660 -0.963 9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.887 -0.442 11.854 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.607 -1.327 13.203 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.577 -2.099 11.468 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.687 -2.262 12.986 1.00 0.00 H new ATOM 847 N GLN A 57 -4.763 4.582 7.279 1.00 0.00 N ATOM 848 CA GLN A 57 -3.905 5.760 7.209 1.00 0.00 C ATOM 849 C GLN A 57 -3.828 6.458 8.563 1.00 0.00 C ATOM 850 O GLN A 57 -4.805 7.048 9.023 1.00 0.00 O ATOM 851 CB GLN A 57 -4.425 6.733 6.149 1.00 0.00 C ATOM 852 CG GLN A 57 -3.507 7.921 5.912 1.00 0.00 C ATOM 853 CD GLN A 57 -4.103 8.938 4.960 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.322 9.016 4.799 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.246 9.726 4.322 1.00 0.00 N ATOM 0 H GLN A 57 -5.424 4.587 8.055 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.903 5.433 6.932 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.561 6.196 5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.406 7.097 6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.291 8.404 6.865 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.557 7.567 5.511 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.244 9.627 4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.590 10.430 3.669 1.00 0.00 H new ATOM 864 N GLU A 58 -2.661 6.385 9.195 1.00 0.00 N ATOM 865 CA GLU A 58 -2.458 7.010 10.497 1.00 0.00 C ATOM 866 C GLU A 58 -1.690 8.321 10.357 1.00 0.00 C ATOM 867 O GLU A 58 -1.049 8.781 11.301 1.00 0.00 O ATOM 868 CB GLU A 58 -1.704 6.061 11.431 1.00 0.00 C ATOM 869 CG GLU A 58 -2.525 4.859 11.869 1.00 0.00 C ATOM 870 CD GLU A 58 -3.419 5.165 13.055 1.00 0.00 C ATOM 871 OE1 GLU A 58 -4.000 6.270 13.091 1.00 0.00 O ATOM 872 OE2 GLU A 58 -3.538 4.299 13.946 1.00 0.00 O ATOM 0 H GLU A 58 -1.843 5.900 8.827 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.437 7.227 10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.802 5.711 10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.383 6.613 12.315 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.138 4.519 11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.854 4.039 12.126 1.00 0.00 H new ATOM 879 N GLY A 59 -1.759 8.918 9.171 1.00 0.00 N ATOM 880 CA GLY A 59 -1.065 10.169 8.929 1.00 0.00 C ATOM 881 C GLY A 59 -0.323 10.174 7.607 1.00 0.00 C ATOM 882 O GLY A 59 -0.857 9.744 6.584 1.00 0.00 O ATOM 0 H GLY A 59 -2.283 8.557 8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.784 10.988 8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.359 10.352 9.739 1.00 0.00 H new ATOM 886 N THR A 60 0.913 10.663 7.626 1.00 0.00 N ATOM 887 CA THR A 60 1.729 10.725 6.420 1.00 0.00 C ATOM 888 C THR A 60 1.967 9.334 5.845 1.00 0.00 C ATOM 889 O THR A 60 2.266 9.184 4.660 1.00 0.00 O ATOM 890 CB THR A 60 3.090 11.393 6.696 1.00 0.00 C ATOM 891 OG1 THR A 60 3.768 10.706 7.754 1.00 0.00 O ATOM 892 CG2 THR A 60 2.908 12.857 7.071 1.00 0.00 C ATOM 0 H THR A 60 1.371 11.022 8.464 1.00 0.00 H new ATOM 0 HA THR A 60 1.178 11.325 5.696 1.00 0.00 H new ATOM 0 HB THR A 60 3.688 11.338 5.786 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.633 11.136 7.922 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.882 13.308 7.261 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.418 13.384 6.252 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.293 12.929 7.968 1.00 0.00 H new ATOM 900 N ARG A 61 1.831 8.318 6.691 1.00 0.00 N ATOM 901 CA ARG A 61 2.032 6.938 6.266 1.00 0.00 C ATOM 902 C ARG A 61 0.698 6.265 5.955 1.00 0.00 C ATOM 903 O ARG A 61 -0.314 6.543 6.600 1.00 0.00 O ATOM 904 CB ARG A 61 2.772 6.151 7.349 1.00 0.00 C ATOM 905 CG ARG A 61 2.990 4.688 6.998 1.00 0.00 C ATOM 906 CD ARG A 61 1.838 3.821 7.480 1.00 0.00 C ATOM 907 NE ARG A 61 2.004 3.415 8.873 1.00 0.00 N ATOM 908 CZ ARG A 61 2.972 2.610 9.293 1.00 0.00 C ATOM 909 NH1 ARG A 61 3.858 2.127 8.433 1.00 0.00 N ATOM 910 NH2 ARG A 61 3.057 2.286 10.577 1.00 0.00 N ATOM 0 H ARG A 61 1.583 8.425 7.675 1.00 0.00 H new ATOM 0 HA ARG A 61 2.635 6.948 5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.739 6.620 7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.208 6.212 8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.098 4.584 5.918 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.921 4.340 7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.902 4.369 7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.764 2.934 6.850 1.00 0.00 H new ATOM 0 HE ARG A 61 1.340 3.770 9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.797 2.374 7.445 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.601 1.509 8.759 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.378 2.656 11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.801 1.667 10.899 1.00 0.00 H new ATOM 924 N CYS A 62 0.704 5.381 4.964 1.00 0.00 N ATOM 925 CA CYS A 62 -0.506 4.669 4.567 1.00 0.00 C ATOM 926 C CYS A 62 -0.264 3.164 4.531 1.00 0.00 C ATOM 927 O CYS A 62 0.831 2.710 4.201 1.00 0.00 O ATOM 928 CB CYS A 62 -0.981 5.155 3.197 1.00 0.00 C ATOM 929 SG CYS A 62 -1.400 6.913 3.141 1.00 0.00 S ATOM 0 H CYS A 62 1.533 5.140 4.421 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.280 4.876 5.306 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.201 4.955 2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.855 4.575 2.901 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.686 7.049 3.008 1.00 0.00 H new ATOM 935 N GLU A 63 -1.293 2.396 4.873 1.00 0.00 N ATOM 936 CA GLU A 63 -1.191 0.941 4.882 1.00 0.00 C ATOM 937 C GLU A 63 -2.247 0.316 3.975 1.00 0.00 C ATOM 938 O GLU A 63 -3.385 0.783 3.914 1.00 0.00 O ATOM 939 CB GLU A 63 -1.345 0.405 6.307 1.00 0.00 C ATOM 940 CG GLU A 63 -0.209 0.805 7.234 1.00 0.00 C ATOM 941 CD GLU A 63 0.943 -0.180 7.202 1.00 0.00 C ATOM 942 OE1 GLU A 63 0.727 -1.357 7.558 1.00 0.00 O ATOM 943 OE2 GLU A 63 2.061 0.226 6.821 1.00 0.00 O ATOM 0 H GLU A 63 -2.207 2.757 5.148 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.205 0.669 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.286 0.766 6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.409 -0.683 6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.155 1.793 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.587 0.883 8.253 1.00 0.00 H new ATOM 950 N LEU A 64 -1.861 -0.742 3.271 1.00 0.00 N ATOM 951 CA LEU A 64 -2.773 -1.432 2.365 1.00 0.00 C ATOM 952 C LEU A 64 -2.715 -2.942 2.579 1.00 0.00 C ATOM 953 O LEU A 64 -1.637 -3.535 2.585 1.00 0.00 O ATOM 954 CB LEU A 64 -2.431 -1.098 0.912 1.00 0.00 C ATOM 955 CG LEU A 64 -2.952 -2.076 -0.142 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.461 -1.956 -0.282 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.269 -1.831 -1.480 1.00 0.00 C ATOM 0 H LEU A 64 -0.923 -1.141 3.310 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.786 -1.091 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.825 -0.107 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.347 -1.039 0.819 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.718 -3.090 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.814 -2.659 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.934 -2.181 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.719 -0.941 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.652 -2.536 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.472 -0.813 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.193 -1.969 -1.370 1.00 0.00 H new ATOM 969 N GLN A 65 -3.881 -3.555 2.752 1.00 0.00 N ATOM 970 CA GLN A 65 -3.961 -4.996 2.965 1.00 0.00 C ATOM 971 C GLN A 65 -4.924 -5.639 1.973 1.00 0.00 C ATOM 972 O GLN A 65 -6.058 -5.187 1.811 1.00 0.00 O ATOM 973 CB GLN A 65 -4.408 -5.297 4.396 1.00 0.00 C ATOM 974 CG GLN A 65 -3.255 -5.438 5.377 1.00 0.00 C ATOM 975 CD GLN A 65 -3.712 -5.421 6.822 1.00 0.00 C ATOM 976 OE1 GLN A 65 -3.380 -6.315 7.601 1.00 0.00 O ATOM 977 NE2 GLN A 65 -4.478 -4.400 7.189 1.00 0.00 N ATOM 0 H GLN A 65 -4.782 -3.078 2.749 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.969 -5.418 2.806 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.068 -4.500 4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.992 -6.218 4.399 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.726 -6.370 5.178 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.544 -4.627 5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.729 -3.681 6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.815 -4.335 8.149 1.00 0.00 H new ATOM 986 N ILE A 66 -4.465 -6.696 1.311 1.00 0.00 N ATOM 987 CA ILE A 66 -5.287 -7.402 0.336 1.00 0.00 C ATOM 988 C ILE A 66 -5.702 -8.774 0.856 1.00 0.00 C ATOM 989 O ILE A 66 -4.945 -9.740 0.762 1.00 0.00 O ATOM 990 CB ILE A 66 -4.546 -7.577 -1.003 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.971 -6.238 -1.471 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.482 -8.154 -2.055 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.706 -6.377 -2.290 1.00 0.00 C ATOM 0 H ILE A 66 -3.529 -7.082 1.432 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.176 -6.793 0.174 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.721 -8.274 -0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.722 -5.716 -2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.764 -5.616 -0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.944 -8.272 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.848 -9.125 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.325 -7.479 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.355 -5.389 -2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.939 -6.870 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.912 -6.972 -3.180 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.910 -8.852 1.404 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.427 -10.106 1.939 1.00 0.00 C ATOM 1007 C CYS A 67 -7.743 -11.087 0.815 1.00 0.00 C ATOM 1008 O CYS A 67 -8.584 -10.817 -0.041 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.682 -9.849 2.775 1.00 0.00 C ATOM 1010 SG CYS A 67 -8.350 -9.521 4.522 1.00 0.00 S ATOM 0 H CYS A 67 -7.549 -8.062 1.489 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.659 -10.545 2.575 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -9.219 -9.000 2.353 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.341 -10.714 2.697 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.472 -9.314 5.145 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.060 -12.228 0.824 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.280 -13.232 -0.201 1.00 0.00 C ATOM 1018 C GLY A 68 -6.268 -13.145 -1.325 1.00 0.00 C ATOM 1019 O GLY A 68 -6.618 -12.830 -2.463 1.00 0.00 O ATOM 0 H GLY A 68 -6.359 -12.475 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.233 -14.223 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.284 -13.115 -0.610 1.00 0.00 H new ATOM 1023 N LEU A 69 -5.008 -13.422 -1.008 1.00 0.00 N ATOM 1024 CA LEU A 69 -3.940 -13.372 -2.000 1.00 0.00 C ATOM 1025 C LEU A 69 -4.052 -14.535 -2.980 1.00 0.00 C ATOM 1026 O LEU A 69 -4.692 -15.545 -2.689 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.575 -13.401 -1.311 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.065 -12.063 -0.775 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.752 -12.251 -0.031 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.898 -11.063 -1.910 1.00 0.00 C ATOM 0 H LEU A 69 -4.701 -13.684 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.039 -12.440 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.624 -14.107 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.842 -13.790 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.802 -11.669 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.405 -11.288 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.903 -12.933 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.006 -12.667 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.534 -10.116 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.181 -11.451 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.859 -10.905 -2.400 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.424 -14.386 -4.142 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.450 -15.426 -5.163 1.00 0.00 C ATOM 1044 C ALA A 70 -2.490 -15.100 -6.303 1.00 0.00 C ATOM 1045 O ALA A 70 -2.190 -13.935 -6.559 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.863 -15.608 -5.696 1.00 0.00 C ATOM 0 H ALA A 70 -2.891 -13.555 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.124 -16.359 -4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.867 -16.388 -6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.526 -15.895 -4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.210 -14.672 -6.133 1.00 0.00 H new ATOM 1052 N MET A 71 -2.013 -16.137 -6.983 1.00 0.00 N ATOM 1053 CA MET A 71 -1.087 -15.960 -8.096 1.00 0.00 C ATOM 1054 C MET A 71 -1.428 -14.703 -8.891 1.00 0.00 C ATOM 1055 O MET A 71 -0.541 -13.943 -9.278 1.00 0.00 O ATOM 1056 CB MET A 71 -1.120 -17.183 -9.014 1.00 0.00 C ATOM 1057 CG MET A 71 -0.651 -18.462 -8.339 1.00 0.00 C ATOM 1058 SD MET A 71 1.128 -18.713 -8.487 1.00 0.00 S ATOM 1059 CE MET A 71 1.708 -17.916 -6.992 1.00 0.00 C ATOM 0 H MET A 71 -2.252 -17.108 -6.783 1.00 0.00 H new ATOM 0 HA MET A 71 -0.083 -15.849 -7.687 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.137 -17.326 -9.379 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.493 -16.991 -9.885 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.923 -18.432 -7.284 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.172 -19.312 -8.779 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.325 -17.057 -7.254 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.854 -17.583 -6.402 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.298 -18.623 -6.409 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.718 -14.492 -9.132 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.175 -13.327 -9.879 1.00 0.00 C ATOM 1071 C ALA A 72 -2.725 -12.034 -9.209 1.00 0.00 C ATOM 1072 O ALA A 72 -2.222 -11.124 -9.868 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.690 -13.352 -10.021 1.00 0.00 C ATOM 0 H ALA A 72 -3.465 -15.113 -8.821 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.728 -13.365 -10.872 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.017 -12.476 -10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.991 -14.255 -10.552 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.148 -13.343 -9.032 1.00 0.00 H new ATOM 1079 N ASP A 73 -2.911 -11.958 -7.896 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.524 -10.775 -7.136 1.00 0.00 C ATOM 1081 C ASP A 73 -1.108 -10.338 -7.495 1.00 0.00 C ATOM 1082 O ASP A 73 -0.816 -9.145 -7.569 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.620 -11.053 -5.635 1.00 0.00 C ATOM 1084 CG ASP A 73 -4.052 -11.050 -5.136 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.912 -11.667 -5.799 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.313 -10.431 -4.083 1.00 0.00 O ATOM 0 H ASP A 73 -3.327 -12.702 -7.336 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.210 -9.968 -7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.165 -12.019 -5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.047 -10.301 -5.092 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.232 -11.312 -7.717 1.00 0.00 N ATOM 1092 CA ALA A 74 1.154 -11.028 -8.069 1.00 0.00 C ATOM 1093 C ALA A 74 1.237 -10.206 -9.351 1.00 0.00 C ATOM 1094 O ALA A 74 0.915 -10.692 -10.434 1.00 0.00 O ATOM 1095 CB ALA A 74 1.937 -12.324 -8.220 1.00 0.00 C ATOM 0 H ALA A 74 -0.457 -12.305 -7.659 1.00 0.00 H new ATOM 0 HA ALA A 74 1.595 -10.442 -7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.970 -12.096 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.915 -12.874 -7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.488 -12.931 -9.006 1.00 0.00 H new ATOM 1101 N GLY A 75 1.670 -8.955 -9.220 1.00 0.00 N ATOM 1102 CA GLY A 75 1.786 -8.085 -10.375 1.00 0.00 C ATOM 1103 C GLY A 75 2.490 -6.782 -10.052 1.00 0.00 C ATOM 1104 O GLY A 75 3.617 -6.785 -9.558 1.00 0.00 O ATOM 0 H GLY A 75 1.942 -8.529 -8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.332 -8.604 -11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.791 -7.870 -10.765 1.00 0.00 H new ATOM 1108 N GLU A 76 1.824 -5.667 -10.333 1.00 0.00 N ATOM 1109 CA GLU A 76 2.395 -4.351 -10.070 1.00 0.00 C ATOM 1110 C GLU A 76 1.351 -3.414 -9.469 1.00 0.00 C ATOM 1111 O GLU A 76 0.383 -3.039 -10.132 1.00 0.00 O ATOM 1112 CB GLU A 76 2.956 -3.747 -11.359 1.00 0.00 C ATOM 1113 CG GLU A 76 3.211 -2.252 -11.271 1.00 0.00 C ATOM 1114 CD GLU A 76 3.558 -1.639 -12.614 1.00 0.00 C ATOM 1115 OE1 GLU A 76 4.485 -2.149 -13.278 1.00 0.00 O ATOM 1116 OE2 GLU A 76 2.902 -0.649 -13.000 1.00 0.00 O ATOM 0 H GLU A 76 0.890 -5.648 -10.742 1.00 0.00 H new ATOM 0 HA GLU A 76 3.205 -4.473 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.889 -4.252 -11.611 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.259 -3.941 -12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.326 -1.759 -10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.025 -2.067 -10.570 1.00 0.00 H new ATOM 1123 N TYR A 77 1.554 -3.041 -8.211 1.00 0.00 N ATOM 1124 CA TYR A 77 0.629 -2.152 -7.519 1.00 0.00 C ATOM 1125 C TYR A 77 1.151 -0.718 -7.515 1.00 0.00 C ATOM 1126 O TYR A 77 2.338 -0.478 -7.288 1.00 0.00 O ATOM 1127 CB TYR A 77 0.407 -2.629 -6.082 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.433 -3.882 -5.984 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.065 -5.110 -6.401 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.725 -3.838 -5.474 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.700 -6.258 -6.314 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.495 -4.980 -5.381 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.979 -6.188 -5.802 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.744 -7.328 -5.713 1.00 0.00 O ATOM 0 H TYR A 77 2.351 -3.340 -7.649 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.321 -2.173 -8.053 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.375 -2.813 -5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.075 -1.833 -5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.067 -5.169 -6.800 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.134 -2.894 -5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.299 -7.204 -6.645 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.497 -4.928 -4.981 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.315 -8.050 -6.218 1.00 0.00 H new ATOM 1144 N LEU A 78 0.257 0.231 -7.769 1.00 0.00 N ATOM 1145 CA LEU A 78 0.626 1.642 -7.795 1.00 0.00 C ATOM 1146 C LEU A 78 -0.164 2.430 -6.755 1.00 0.00 C ATOM 1147 O LEU A 78 -1.340 2.156 -6.515 1.00 0.00 O ATOM 1148 CB LEU A 78 0.383 2.227 -9.187 1.00 0.00 C ATOM 1149 CG LEU A 78 1.231 1.643 -10.318 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.527 0.454 -10.953 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.533 2.707 -11.363 1.00 0.00 C ATOM 0 H LEU A 78 -0.728 0.049 -7.960 1.00 0.00 H new ATOM 0 HA LEU A 78 1.686 1.720 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.668 2.088 -9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.561 3.301 -9.144 1.00 0.00 H new ATOM 0 HG LEU A 78 2.175 1.298 -9.897 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.145 0.051 -11.756 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.363 -0.317 -10.200 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.432 0.774 -11.359 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.137 2.273 -12.160 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.599 3.083 -11.780 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.080 3.528 -10.899 1.00 0.00 H new ATOM 1163 N CYS A 79 0.490 3.411 -6.142 1.00 0.00 N ATOM 1164 CA CYS A 79 -0.152 4.241 -5.128 1.00 0.00 C ATOM 1165 C CYS A 79 -0.053 5.718 -5.493 1.00 0.00 C ATOM 1166 O CYS A 79 1.037 6.289 -5.529 1.00 0.00 O ATOM 1167 CB CYS A 79 0.488 3.997 -3.760 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.513 4.564 -2.366 1.00 0.00 S ATOM 0 H CYS A 79 1.464 3.651 -6.329 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.206 3.967 -5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.680 2.930 -3.646 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.454 4.500 -3.728 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.209 3.570 -1.899 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.200 6.333 -5.765 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.244 7.744 -6.128 1.00 0.00 C ATOM 1176 C VAL A 80 -1.558 8.614 -4.916 1.00 0.00 C ATOM 1177 O VAL A 80 -2.485 8.328 -4.158 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.295 8.010 -7.223 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.090 9.386 -7.838 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.238 6.926 -8.290 1.00 0.00 C ATOM 0 H VAL A 80 -2.111 5.875 -5.741 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.257 8.003 -6.512 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.284 7.987 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.842 9.556 -8.609 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.185 10.148 -7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.096 9.442 -8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.987 7.129 -9.056 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.248 6.915 -8.745 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.439 5.956 -7.835 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.781 9.677 -4.741 1.00 0.00 N ATOM 1191 CA CYS A 81 -0.976 10.589 -3.620 1.00 0.00 C ATOM 1192 C CYS A 81 -1.149 12.023 -4.110 1.00 0.00 C ATOM 1193 O CYS A 81 -0.405 12.920 -3.715 1.00 0.00 O ATOM 1194 CB CYS A 81 0.209 10.507 -2.656 1.00 0.00 C ATOM 1195 SG CYS A 81 1.750 11.180 -3.321 1.00 0.00 S ATOM 0 H CYS A 81 -0.011 9.928 -5.361 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.884 10.291 -3.095 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.043 11.042 -1.741 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.369 9.464 -2.382 1.00 0.00 H new ATOM 0 HG CYS A 81 2.463 10.216 -3.823 1.00 0.00 H new ATOM 1201 N GLY A 82 -2.137 12.232 -4.975 1.00 0.00 N ATOM 1202 CA GLY A 82 -2.389 13.558 -5.507 1.00 0.00 C ATOM 1203 C GLY A 82 -2.017 13.676 -6.972 1.00 0.00 C ATOM 1204 O GLY A 82 -2.878 13.577 -7.847 1.00 0.00 O ATOM 0 H GLY A 82 -2.767 11.506 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.444 13.801 -5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.823 14.290 -4.932 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.733 13.889 -7.240 1.00 0.00 N ATOM 1209 CA GLN A 83 -0.250 14.023 -8.609 1.00 0.00 C ATOM 1210 C GLN A 83 0.789 12.953 -8.927 1.00 0.00 C ATOM 1211 O GLN A 83 0.868 12.467 -10.055 1.00 0.00 O ATOM 1212 CB GLN A 83 0.348 15.413 -8.827 1.00 0.00 C ATOM 1213 CG GLN A 83 0.145 15.949 -10.236 1.00 0.00 C ATOM 1214 CD GLN A 83 -1.126 16.762 -10.373 1.00 0.00 C ATOM 1215 OE1 GLN A 83 -2.150 16.262 -10.839 1.00 0.00 O ATOM 1216 NE2 GLN A 83 -1.068 18.025 -9.967 1.00 0.00 N ATOM 0 H GLN A 83 -0.008 13.972 -6.527 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.098 13.891 -9.281 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.099 16.107 -8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.416 15.378 -8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.999 16.568 -10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.116 15.115 -10.937 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.199 18.399 -9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.893 18.621 -10.035 1.00 0.00 H new ATOM 1225 N GLU A 84 1.585 12.592 -7.925 1.00 0.00 N ATOM 1226 CA GLU A 84 2.620 11.580 -8.100 1.00 0.00 C ATOM 1227 C GLU A 84 2.064 10.182 -7.844 1.00 0.00 C ATOM 1228 O GLU A 84 0.899 10.024 -7.479 1.00 0.00 O ATOM 1229 CB GLU A 84 3.795 11.853 -7.158 1.00 0.00 C ATOM 1230 CG GLU A 84 4.247 13.304 -7.154 1.00 0.00 C ATOM 1231 CD GLU A 84 5.137 13.641 -8.334 1.00 0.00 C ATOM 1232 OE1 GLU A 84 5.059 12.931 -9.359 1.00 0.00 O ATOM 1233 OE2 GLU A 84 5.911 14.616 -8.234 1.00 0.00 O ATOM 0 H GLU A 84 1.533 12.985 -6.985 1.00 0.00 H new ATOM 0 HA GLU A 84 2.970 11.630 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.512 11.567 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.635 11.220 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.372 13.953 -7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.784 13.511 -6.228 1.00 0.00 H new ATOM 1240 N ARG A 85 2.905 9.172 -8.041 1.00 0.00 N ATOM 1241 CA ARG A 85 2.498 7.788 -7.834 1.00 0.00 C ATOM 1242 C ARG A 85 3.682 6.841 -8.006 1.00 0.00 C ATOM 1243 O ARG A 85 4.459 6.965 -8.954 1.00 0.00 O ATOM 1244 CB ARG A 85 1.384 7.410 -8.812 1.00 0.00 C ATOM 1245 CG ARG A 85 1.863 7.236 -10.243 1.00 0.00 C ATOM 1246 CD ARG A 85 0.771 6.656 -11.129 1.00 0.00 C ATOM 1247 NE ARG A 85 -0.063 7.697 -11.722 1.00 0.00 N ATOM 1248 CZ ARG A 85 -1.131 7.445 -12.472 1.00 0.00 C ATOM 1249 NH1 ARG A 85 -1.491 6.193 -12.719 1.00 0.00 N ATOM 1250 NH2 ARG A 85 -1.840 8.447 -12.977 1.00 0.00 N ATOM 0 H ARG A 85 3.872 9.287 -8.344 1.00 0.00 H new ATOM 0 HA ARG A 85 2.125 7.695 -6.814 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.919 6.483 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.613 8.180 -8.787 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.182 8.199 -10.641 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.733 6.580 -10.259 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.225 6.060 -11.921 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.147 5.983 -10.541 1.00 0.00 H new ATOM 0 HE ARG A 85 0.188 8.671 -11.551 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.948 5.421 -12.333 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.311 6.002 -13.295 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.565 9.411 -12.790 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.659 8.253 -13.552 1.00 0.00 H new ATOM 1264 N THR A 86 3.816 5.895 -7.082 1.00 0.00 N ATOM 1265 CA THR A 86 4.906 4.928 -7.130 1.00 0.00 C ATOM 1266 C THR A 86 4.384 3.524 -7.413 1.00 0.00 C ATOM 1267 O THR A 86 3.325 3.134 -6.920 1.00 0.00 O ATOM 1268 CB THR A 86 5.700 4.912 -5.810 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.555 3.764 -5.767 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.761 4.896 -4.613 1.00 0.00 C ATOM 0 H THR A 86 3.183 5.778 -6.291 1.00 0.00 H new ATOM 0 HA THR A 86 5.567 5.236 -7.940 1.00 0.00 H new ATOM 0 HB THR A 86 6.305 5.818 -5.765 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.270 3.913 -5.113 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.345 4.885 -3.693 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.131 5.786 -4.633 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.133 4.006 -4.655 1.00 0.00 H new ATOM 1278 N SER A 87 5.133 2.769 -8.209 1.00 0.00 N ATOM 1279 CA SER A 87 4.744 1.408 -8.560 1.00 0.00 C ATOM 1280 C SER A 87 5.749 0.397 -8.015 1.00 0.00 C ATOM 1281 O SER A 87 6.947 0.670 -7.952 1.00 0.00 O ATOM 1282 CB SER A 87 4.630 1.263 -10.079 1.00 0.00 C ATOM 1283 OG SER A 87 5.910 1.161 -10.678 1.00 0.00 O ATOM 0 H SER A 87 6.013 3.076 -8.623 1.00 0.00 H new ATOM 0 HA SER A 87 3.772 1.207 -8.109 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.041 0.378 -10.320 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.099 2.121 -10.491 1.00 0.00 H new ATOM 0 HG SER A 87 5.811 1.068 -11.648 1.00 0.00 H new ATOM 1289 N ALA A 88 5.251 -0.771 -7.623 1.00 0.00 N ATOM 1290 CA ALA A 88 6.104 -1.823 -7.086 1.00 0.00 C ATOM 1291 C ALA A 88 5.761 -3.176 -7.701 1.00 0.00 C ATOM 1292 O ALA A 88 4.872 -3.278 -8.547 1.00 0.00 O ATOM 1293 CB ALA A 88 5.978 -1.883 -5.571 1.00 0.00 C ATOM 0 H ALA A 88 4.261 -1.012 -7.667 1.00 0.00 H new ATOM 0 HA ALA A 88 7.136 -1.587 -7.345 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.621 -2.673 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.280 -0.927 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.943 -2.091 -5.300 1.00 0.00 H new ATOM 1299 N THR A 89 6.472 -4.214 -7.270 1.00 0.00 N ATOM 1300 CA THR A 89 6.244 -5.560 -7.780 1.00 0.00 C ATOM 1301 C THR A 89 6.011 -6.547 -6.642 1.00 0.00 C ATOM 1302 O THR A 89 6.934 -6.883 -5.900 1.00 0.00 O ATOM 1303 CB THR A 89 7.431 -6.047 -8.632 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.756 -5.068 -9.625 1.00 0.00 O ATOM 1305 CG2 THR A 89 7.107 -7.372 -9.305 1.00 0.00 C ATOM 0 H THR A 89 7.210 -4.148 -6.569 1.00 0.00 H new ATOM 0 HA THR A 89 5.353 -5.514 -8.406 1.00 0.00 H new ATOM 0 HB THR A 89 8.287 -6.193 -7.973 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.513 -5.385 -10.161 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.960 -7.696 -9.901 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.890 -8.123 -8.545 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.238 -7.249 -9.952 1.00 0.00 H new ATOM 1313 N LEU A 90 4.772 -7.008 -6.509 1.00 0.00 N ATOM 1314 CA LEU A 90 4.418 -7.958 -5.461 1.00 0.00 C ATOM 1315 C LEU A 90 4.668 -9.392 -5.918 1.00 0.00 C ATOM 1316 O LEU A 90 4.554 -9.707 -7.103 1.00 0.00 O ATOM 1317 CB LEU A 90 2.950 -7.786 -5.064 1.00 0.00 C ATOM 1318 CG LEU A 90 2.375 -8.859 -4.139 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.052 -8.811 -2.779 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.870 -8.687 -3.994 1.00 0.00 C ATOM 0 H LEU A 90 3.996 -6.739 -7.114 1.00 0.00 H new ATOM 0 HA LEU A 90 5.049 -7.757 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.837 -6.817 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.349 -7.758 -5.973 1.00 0.00 H new ATOM 0 HG LEU A 90 2.568 -9.835 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.629 -9.582 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.121 -8.984 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.891 -7.832 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.478 -9.459 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.655 -7.705 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.398 -8.774 -4.973 1.00 0.00 H new ATOM 1332 N THR A 91 5.007 -10.259 -4.969 1.00 0.00 N ATOM 1333 CA THR A 91 5.273 -11.660 -5.273 1.00 0.00 C ATOM 1334 C THR A 91 4.367 -12.579 -4.462 1.00 0.00 C ATOM 1335 O THR A 91 4.169 -12.372 -3.265 1.00 0.00 O ATOM 1336 CB THR A 91 6.742 -12.027 -4.993 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.583 -11.507 -6.029 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.915 -13.536 -4.903 1.00 0.00 C ATOM 0 H THR A 91 5.104 -10.016 -3.983 1.00 0.00 H new ATOM 0 HA THR A 91 5.069 -11.798 -6.335 1.00 0.00 H new ATOM 0 HB THR A 91 7.028 -11.586 -4.038 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.516 -11.743 -5.843 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.961 -13.771 -4.705 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.296 -13.926 -4.095 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.612 -13.994 -5.845 1.00 0.00 H new ATOM 1346 N ILE A 92 3.821 -13.596 -5.121 1.00 0.00 N ATOM 1347 CA ILE A 92 2.938 -14.548 -4.459 1.00 0.00 C ATOM 1348 C ILE A 92 3.574 -15.932 -4.392 1.00 0.00 C ATOM 1349 O ILE A 92 4.211 -16.381 -5.345 1.00 0.00 O ATOM 1350 CB ILE A 92 1.582 -14.654 -5.181 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.960 -13.266 -5.350 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.642 -15.571 -4.412 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.435 -12.678 -4.060 1.00 0.00 C ATOM 0 H ILE A 92 3.975 -13.781 -6.112 1.00 0.00 H new ATOM 0 HA ILE A 92 2.774 -14.176 -3.448 1.00 0.00 H new ATOM 0 HB ILE A 92 1.746 -15.081 -6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.706 -12.591 -5.770 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.144 -13.328 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.312 -15.635 -4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.083 -16.565 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.481 -15.170 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.009 -11.694 -4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.334 -13.332 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.252 -12.584 -3.344 1.00 0.00 H new ATOM 1365 N ARG A 93 3.396 -16.605 -3.259 1.00 0.00 N ATOM 1366 CA ARG A 93 3.953 -17.939 -3.067 1.00 0.00 C ATOM 1367 C ARG A 93 2.845 -18.986 -3.006 1.00 0.00 C ATOM 1368 O ARG A 93 2.048 -19.007 -2.068 1.00 0.00 O ATOM 1369 CB ARG A 93 4.786 -17.987 -1.785 1.00 0.00 C ATOM 1370 CG ARG A 93 6.230 -17.552 -1.981 1.00 0.00 C ATOM 1371 CD ARG A 93 7.085 -18.688 -2.519 1.00 0.00 C ATOM 1372 NE ARG A 93 7.590 -19.547 -1.450 1.00 0.00 N ATOM 1373 CZ ARG A 93 8.087 -20.761 -1.656 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.147 -21.257 -2.884 1.00 0.00 N ATOM 1375 NH2 ARG A 93 8.527 -21.482 -0.632 1.00 0.00 N ATOM 0 H ARG A 93 2.871 -16.248 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 93 4.596 -18.164 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.321 -17.347 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.772 -19.003 -1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.267 -16.709 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.639 -17.205 -1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.497 -19.285 -3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.924 -18.276 -3.080 1.00 0.00 H new ATOM 0 HE ARG A 93 7.559 -19.195 -0.493 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.811 -20.706 -3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.529 -22.190 -3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.483 -21.104 0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.909 -22.414 -0.791 1.00 0.00 H new ATOM 1389 N ALA A 94 2.801 -19.853 -4.012 1.00 0.00 N ATOM 1390 CA ALA A 94 1.792 -20.904 -4.072 1.00 0.00 C ATOM 1391 C ALA A 94 1.789 -21.735 -2.794 1.00 0.00 C ATOM 1392 O ALA A 94 2.827 -22.245 -2.370 1.00 0.00 O ATOM 1393 CB ALA A 94 2.029 -21.794 -5.283 1.00 0.00 C ATOM 0 H ALA A 94 3.452 -19.849 -4.797 1.00 0.00 H new ATOM 0 HA ALA A 94 0.815 -20.431 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.269 -22.574 -5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.973 -21.195 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.016 -22.252 -5.211 1.00 0.00 H new ATOM 1399 N LEU A 95 0.617 -21.868 -2.183 1.00 0.00 N ATOM 1400 CA LEU A 95 0.479 -22.638 -0.951 1.00 0.00 C ATOM 1401 C LEU A 95 0.846 -24.101 -1.179 1.00 0.00 C ATOM 1402 O LEU A 95 0.744 -24.626 -2.288 1.00 0.00 O ATOM 1403 CB LEU A 95 -0.952 -22.536 -0.420 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.314 -21.229 0.286 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -2.808 -20.964 0.185 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -0.876 -21.271 1.743 1.00 0.00 C ATOM 0 H LEU A 95 -0.252 -21.453 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 95 1.164 -22.222 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.639 -22.677 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.120 -23.359 0.274 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.787 -20.413 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.047 -20.030 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.094 -20.890 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.355 -21.782 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.142 -20.333 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.376 -22.097 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.203 -21.414 1.794 1.00 0.00 H new