USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 627 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 32 MET CE :methyl 136:sc= -0.125 (180deg=-0.616) USER MOD Set 1.2: A 35 GLN :FLIP amide:sc= -0.659 F(o=-1.6,f=-0.78) USER MOD Set 2.1: A 33 TYR OH : rot -142:sc= -1.38! USER MOD Set 2.2: A 70 HIS : no HD1:sc= -2.07 K(o=-3.5,f=-13!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=-0.5) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= -1.4 (180deg=-1.57) USER MOD Single : A 19 ASN : amide:sc= -0.0128 K(o=-0.013,f=-1.6!) USER MOD Single : A 23 LYS NZ :NH3+ -128:sc= 0.776 (180deg=-0.0787) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 36 THR OG1 : rot -82:sc= 0.187 USER MOD Single : A 37 MET CE :methyl 152:sc= 0 (180deg=-0.627) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -2.9 X(o=-2.9,f=-2.9) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.81 K(o=-1.8,f=-10!) USER MOD Single : A 74 TYR OH : rot -99:sc= -3.01! USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -89:sc= 0.183 USER MOD ----------------------------------------------------------------- ATOM 78 N VAL A 5 -11.930 4.234 -0.258 1.00 0.00 N ATOM 79 CA VAL A 5 -10.737 3.625 -0.832 1.00 0.00 C ATOM 80 C VAL A 5 -10.418 2.290 -0.166 1.00 0.00 C ATOM 81 O VAL A 5 -9.817 1.409 -0.780 1.00 0.00 O ATOM 82 CB VAL A 5 -9.512 4.552 -0.709 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.336 3.992 -1.498 1.00 0.00 C ATOM 84 CG2 VAL A 5 -9.856 5.962 -1.174 1.00 0.00 C ATOM 0 HA VAL A 5 -10.952 3.458 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.223 4.603 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.480 4.660 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.074 3.007 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.611 3.907 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.978 6.601 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.174 5.934 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.663 6.361 -0.559 1.00 0.00 H new ATOM 94 N ALA A 6 -10.824 2.143 1.092 1.00 0.00 N ATOM 95 CA ALA A 6 -10.578 0.912 1.834 1.00 0.00 C ATOM 96 C ALA A 6 -11.201 -0.286 1.128 1.00 0.00 C ATOM 97 O ALA A 6 -10.556 -1.319 0.942 1.00 0.00 O ATOM 98 CB ALA A 6 -11.116 1.029 3.251 1.00 0.00 C ATOM 0 H ALA A 6 -11.324 2.860 1.618 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.500 0.756 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.924 0.102 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.621 1.855 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.190 1.214 3.218 1.00 0.00 H new ATOM 104 N ARG A 7 -12.457 -0.136 0.729 1.00 0.00 N ATOM 105 CA ARG A 7 -13.168 -1.201 0.033 1.00 0.00 C ATOM 106 C ARG A 7 -12.482 -1.516 -1.289 1.00 0.00 C ATOM 107 O ARG A 7 -12.229 -2.678 -1.612 1.00 0.00 O ATOM 108 CB ARG A 7 -14.623 -0.798 -0.214 1.00 0.00 C ATOM 109 CG ARG A 7 -15.494 -1.941 -0.706 1.00 0.00 C ATOM 110 CD ARG A 7 -16.813 -1.436 -1.267 1.00 0.00 C ATOM 111 NE ARG A 7 -17.794 -2.509 -1.412 1.00 0.00 N ATOM 112 CZ ARG A 7 -17.724 -3.459 -2.343 1.00 0.00 C ATOM 113 NH1 ARG A 7 -16.720 -3.471 -3.212 1.00 0.00 N ATOM 114 NH2 ARG A 7 -18.658 -4.396 -2.405 1.00 0.00 N ATOM 0 H ARG A 7 -13.005 0.712 0.875 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.154 -2.093 0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.044 -0.403 0.711 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.649 0.009 -0.946 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -14.961 -2.501 -1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -15.687 -2.632 0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.214 -0.664 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.640 -0.970 -2.237 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.579 -2.532 -0.761 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -15.999 -2.751 -3.168 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -16.670 -4.200 -3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -19.431 -4.390 -1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -18.604 -5.123 -3.118 1.00 0.00 H new ATOM 128 N GLU A 8 -12.172 -0.470 -2.040 1.00 0.00 N ATOM 129 CA GLU A 8 -11.501 -0.621 -3.324 1.00 0.00 C ATOM 130 C GLU A 8 -10.112 -1.216 -3.130 1.00 0.00 C ATOM 131 O GLU A 8 -9.603 -1.923 -3.998 1.00 0.00 O ATOM 132 CB GLU A 8 -11.397 0.731 -4.035 1.00 0.00 C ATOM 133 CG GLU A 8 -12.731 1.445 -4.179 1.00 0.00 C ATOM 134 CD GLU A 8 -12.573 2.896 -4.593 1.00 0.00 C ATOM 135 OE1 GLU A 8 -12.249 3.144 -5.772 1.00 0.00 O ATOM 136 OE2 GLU A 8 -12.772 3.782 -3.735 1.00 0.00 O ATOM 0 H GLU A 8 -12.375 0.496 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.090 -1.298 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.709 1.371 -3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.966 0.580 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.340 0.924 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.269 1.397 -3.232 1.00 0.00 H new ATOM 143 N PHE A 9 -9.505 -0.925 -1.983 1.00 0.00 N ATOM 144 CA PHE A 9 -8.175 -1.430 -1.667 1.00 0.00 C ATOM 145 C PHE A 9 -8.179 -2.953 -1.587 1.00 0.00 C ATOM 146 O PHE A 9 -7.350 -3.620 -2.203 1.00 0.00 O ATOM 147 CB PHE A 9 -7.686 -0.841 -0.343 1.00 0.00 C ATOM 148 CG PHE A 9 -6.206 -0.978 -0.134 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.326 -0.069 -0.700 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.693 -2.015 0.630 1.00 0.00 C ATOM 151 CE1 PHE A 9 -3.963 -0.192 -0.510 1.00 0.00 C ATOM 152 CE2 PHE A 9 -4.330 -2.143 0.823 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.465 -1.230 0.253 1.00 0.00 C ATOM 0 H PHE A 9 -9.916 -0.340 -1.255 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.497 -1.126 -2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.954 0.215 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.207 -1.333 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.710 0.745 -1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.366 -2.731 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.288 0.522 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.942 -2.956 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.400 -1.327 0.404 1.00 0.00 H new ATOM 163 N ARG A 10 -9.119 -3.501 -0.827 1.00 0.00 N ATOM 164 CA ARG A 10 -9.225 -4.946 -0.674 1.00 0.00 C ATOM 165 C ARG A 10 -9.499 -5.611 -2.019 1.00 0.00 C ATOM 166 O ARG A 10 -8.878 -6.617 -2.366 1.00 0.00 O ATOM 167 CB ARG A 10 -10.335 -5.296 0.319 1.00 0.00 C ATOM 168 CG ARG A 10 -9.989 -6.462 1.232 1.00 0.00 C ATOM 169 CD ARG A 10 -10.277 -6.136 2.690 1.00 0.00 C ATOM 170 NE ARG A 10 -9.726 -7.141 3.595 1.00 0.00 N ATOM 171 CZ ARG A 10 -10.057 -7.243 4.881 1.00 0.00 C ATOM 172 NH1 ARG A 10 -10.936 -6.405 5.414 1.00 0.00 N ATOM 173 NH2 ARG A 10 -9.507 -8.188 5.634 1.00 0.00 N ATOM 0 H ARG A 10 -9.817 -2.968 -0.308 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.276 -5.319 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.555 -4.420 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.244 -5.535 -0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.562 -7.340 0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.935 -6.715 1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.857 -5.160 2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.354 -6.065 2.840 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.048 -7.804 3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.362 -5.678 4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.186 -6.487 6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.831 -8.835 5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.760 -8.267 6.619 1.00 0.00 H new ATOM 187 N HIS A 11 -10.434 -5.041 -2.774 1.00 0.00 N ATOM 188 CA HIS A 11 -10.795 -5.576 -4.081 1.00 0.00 C ATOM 189 C HIS A 11 -9.618 -5.507 -5.052 1.00 0.00 C ATOM 190 O HIS A 11 -9.249 -6.509 -5.663 1.00 0.00 O ATOM 191 CB HIS A 11 -11.989 -4.810 -4.654 1.00 0.00 C ATOM 192 CG HIS A 11 -13.305 -5.474 -4.392 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.885 -6.369 -5.267 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.157 -5.371 -3.344 1.00 0.00 C ATOM 195 CE1 HIS A 11 -15.036 -6.786 -4.768 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.224 -6.197 -3.602 1.00 0.00 N ATOM 0 H HIS A 11 -10.955 -4.208 -2.502 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.068 -6.623 -3.951 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.006 -3.807 -4.228 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -11.856 -4.697 -5.730 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.022 -4.754 -2.468 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.709 -7.490 -5.235 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -16.030 -6.333 -2.992 1.00 0.00 H new ATOM 205 N LYS A 12 -9.040 -4.320 -5.196 1.00 0.00 N ATOM 206 CA LYS A 12 -7.913 -4.127 -6.101 1.00 0.00 C ATOM 207 C LYS A 12 -6.713 -4.970 -5.678 1.00 0.00 C ATOM 208 O LYS A 12 -6.056 -5.585 -6.513 1.00 0.00 O ATOM 209 CB LYS A 12 -7.518 -2.648 -6.165 1.00 0.00 C ATOM 210 CG LYS A 12 -7.001 -2.092 -4.848 1.00 0.00 C ATOM 211 CD LYS A 12 -5.504 -2.309 -4.698 1.00 0.00 C ATOM 212 CE LYS A 12 -4.718 -1.068 -5.085 1.00 0.00 C ATOM 213 NZ LYS A 12 -5.221 -0.462 -6.348 1.00 0.00 N ATOM 0 H LYS A 12 -9.332 -3.479 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.227 -4.452 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.751 -2.519 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.383 -2.064 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.222 -1.026 -4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.523 -2.571 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.276 -2.578 -3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.193 -3.147 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.779 -0.334 -4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.665 -1.327 -5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.543 0.251 -6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.331 -1.203 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.141 -0.010 -6.174 1.00 0.00 H new ATOM 227 N VAL A 13 -6.430 -4.994 -4.378 1.00 0.00 N ATOM 228 CA VAL A 13 -5.305 -5.766 -3.861 1.00 0.00 C ATOM 229 C VAL A 13 -5.410 -7.230 -4.287 1.00 0.00 C ATOM 230 O VAL A 13 -4.422 -7.840 -4.697 1.00 0.00 O ATOM 231 CB VAL A 13 -5.214 -5.672 -2.318 1.00 0.00 C ATOM 232 CG1 VAL A 13 -4.448 -6.852 -1.732 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.564 -4.358 -1.905 1.00 0.00 C ATOM 0 H VAL A 13 -6.961 -4.491 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.396 -5.338 -4.284 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.229 -5.704 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.403 -6.754 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.956 -7.781 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.436 -6.866 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.507 -4.306 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.559 -4.301 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.160 -3.525 -2.277 1.00 0.00 H new ATOM 243 N ASP A 14 -6.612 -7.787 -4.191 1.00 0.00 N ATOM 244 CA ASP A 14 -6.841 -9.178 -4.571 1.00 0.00 C ATOM 245 C ASP A 14 -6.774 -9.347 -6.086 1.00 0.00 C ATOM 246 O ASP A 14 -6.330 -10.382 -6.586 1.00 0.00 O ATOM 247 CB ASP A 14 -8.200 -9.651 -4.053 1.00 0.00 C ATOM 248 CG ASP A 14 -8.285 -11.162 -3.949 1.00 0.00 C ATOM 249 OD1 ASP A 14 -8.120 -11.837 -4.987 1.00 0.00 O ATOM 250 OD2 ASP A 14 -8.517 -11.669 -2.832 1.00 0.00 O ATOM 0 H ASP A 14 -7.442 -7.299 -3.854 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.056 -9.786 -4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.385 -9.211 -3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.985 -9.291 -4.718 1.00 0.00 H new ATOM 255 N PHE A 15 -7.221 -8.328 -6.812 1.00 0.00 N ATOM 256 CA PHE A 15 -7.217 -8.362 -8.271 1.00 0.00 C ATOM 257 C PHE A 15 -5.794 -8.315 -8.822 1.00 0.00 C ATOM 258 O PHE A 15 -5.414 -9.135 -9.657 1.00 0.00 O ATOM 259 CB PHE A 15 -8.030 -7.189 -8.827 1.00 0.00 C ATOM 260 CG PHE A 15 -9.379 -7.589 -9.350 1.00 0.00 C ATOM 261 CD1 PHE A 15 -10.416 -7.881 -8.479 1.00 0.00 C ATOM 262 CD2 PHE A 15 -9.611 -7.672 -10.714 1.00 0.00 C ATOM 263 CE1 PHE A 15 -11.659 -8.248 -8.958 1.00 0.00 C ATOM 264 CE2 PHE A 15 -10.851 -8.039 -11.198 1.00 0.00 C ATOM 265 CZ PHE A 15 -11.878 -8.329 -10.319 1.00 0.00 C ATOM 0 H PHE A 15 -7.592 -7.466 -6.413 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.673 -9.300 -8.587 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.160 -6.443 -8.043 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.465 -6.713 -9.629 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.251 -7.821 -7.413 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.813 -7.447 -11.406 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.459 -8.471 -8.268 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.019 -8.100 -12.263 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.848 -8.618 -10.695 1.00 0.00 H new ATOM 275 N LEU A 16 -5.015 -7.345 -8.354 1.00 0.00 N ATOM 276 CA LEU A 16 -3.637 -7.185 -8.803 1.00 0.00 C ATOM 277 C LEU A 16 -2.746 -8.289 -8.246 1.00 0.00 C ATOM 278 O LEU A 16 -2.031 -8.959 -8.991 1.00 0.00 O ATOM 279 CB LEU A 16 -3.095 -5.815 -8.382 1.00 0.00 C ATOM 280 CG LEU A 16 -4.065 -4.645 -8.575 1.00 0.00 C ATOM 281 CD1 LEU A 16 -3.957 -3.666 -7.416 1.00 0.00 C ATOM 282 CD2 LEU A 16 -3.793 -3.941 -9.896 1.00 0.00 C ATOM 0 H LEU A 16 -5.315 -6.657 -7.663 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.629 -7.254 -9.891 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.811 -5.861 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.187 -5.611 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.081 -5.039 -8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.653 -2.842 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.200 -4.177 -6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.940 -3.277 -7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.491 -3.113 -10.017 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.772 -3.559 -9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.921 -4.646 -10.717 1.00 0.00 H new ATOM 294 N ILE A 17 -2.796 -8.471 -6.934 1.00 0.00 N ATOM 295 CA ILE A 17 -1.995 -9.492 -6.272 1.00 0.00 C ATOM 296 C ILE A 17 -2.519 -10.887 -6.593 1.00 0.00 C ATOM 297 O ILE A 17 -1.877 -11.653 -7.314 1.00 0.00 O ATOM 298 CB ILE A 17 -1.977 -9.295 -4.744 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.618 -7.847 -4.399 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.996 -10.261 -4.092 1.00 0.00 C ATOM 301 CD1 ILE A 17 -0.204 -7.466 -4.781 1.00 0.00 C ATOM 0 H ILE A 17 -3.384 -7.924 -6.305 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.977 -9.392 -6.649 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.973 -9.506 -4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.315 -7.178 -4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.750 -7.694 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.997 -10.107 -3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.294 -11.286 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.005 -10.082 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.020 -6.427 -4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.501 -8.110 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.073 -7.586 -5.856 1.00 0.00 H new ATOM 313 N GLU A 18 -3.690 -11.209 -6.054 1.00 0.00 N ATOM 314 CA GLU A 18 -4.315 -12.510 -6.279 1.00 0.00 C ATOM 315 C GLU A 18 -3.597 -13.625 -5.514 1.00 0.00 C ATOM 316 O GLU A 18 -3.976 -14.791 -5.609 1.00 0.00 O ATOM 317 CB GLU A 18 -4.341 -12.837 -7.775 1.00 0.00 C ATOM 318 CG GLU A 18 -5.727 -13.180 -8.298 1.00 0.00 C ATOM 319 CD GLU A 18 -6.090 -14.634 -8.075 1.00 0.00 C ATOM 320 OE1 GLU A 18 -6.082 -15.076 -6.908 1.00 0.00 O ATOM 321 OE2 GLU A 18 -6.382 -15.332 -9.069 1.00 0.00 O ATOM 0 H GLU A 18 -4.229 -10.584 -5.455 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.337 -12.451 -5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.952 -11.984 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.671 -13.675 -7.967 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.464 -12.546 -7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.775 -12.957 -9.364 1.00 0.00 H new ATOM 328 N ASN A 19 -2.562 -13.268 -4.756 1.00 0.00 N ATOM 329 CA ASN A 19 -1.808 -14.247 -3.986 1.00 0.00 C ATOM 330 C ASN A 19 -2.026 -14.048 -2.489 1.00 0.00 C ATOM 331 O ASN A 19 -2.533 -13.013 -2.058 1.00 0.00 O ATOM 332 CB ASN A 19 -0.317 -14.149 -4.313 1.00 0.00 C ATOM 333 CG ASN A 19 0.032 -14.818 -5.628 1.00 0.00 C ATOM 334 OD1 ASN A 19 -0.825 -15.414 -6.280 1.00 0.00 O ATOM 335 ND2 ASN A 19 1.295 -14.724 -6.024 1.00 0.00 N ATOM 0 H ASN A 19 -2.229 -12.309 -4.661 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.167 -15.239 -4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.025 -13.100 -4.354 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.259 -14.609 -3.510 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.588 -15.156 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.973 -14.220 -5.452 1.00 0.00 H new ATOM 342 N ASP A 20 -1.639 -15.046 -1.702 1.00 0.00 N ATOM 343 CA ASP A 20 -1.790 -14.980 -0.253 1.00 0.00 C ATOM 344 C ASP A 20 -0.519 -14.450 0.403 1.00 0.00 C ATOM 345 O ASP A 20 -0.577 -13.641 1.328 1.00 0.00 O ATOM 346 CB ASP A 20 -2.132 -16.360 0.310 1.00 0.00 C ATOM 347 CG ASP A 20 -3.135 -16.289 1.446 1.00 0.00 C ATOM 348 OD1 ASP A 20 -2.830 -15.643 2.469 1.00 0.00 O ATOM 349 OD2 ASP A 20 -4.227 -16.881 1.309 1.00 0.00 O ATOM 0 H ASP A 20 -1.218 -15.910 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.606 -14.293 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.534 -16.985 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.220 -16.841 0.664 1.00 0.00 H new ATOM 354 N ALA A 21 0.624 -14.911 -0.087 1.00 0.00 N ATOM 355 CA ALA A 21 1.912 -14.485 0.447 1.00 0.00 C ATOM 356 C ALA A 21 2.166 -13.013 0.152 1.00 0.00 C ATOM 357 O ALA A 21 2.549 -12.249 1.037 1.00 0.00 O ATOM 358 CB ALA A 21 3.030 -15.342 -0.126 1.00 0.00 C ATOM 0 H ALA A 21 0.686 -15.581 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 21 1.891 -14.613 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.986 -15.013 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.862 -16.385 0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.045 -15.243 -1.211 1.00 0.00 H new ATOM 364 N GLU A 22 1.948 -12.624 -1.096 1.00 0.00 N ATOM 365 CA GLU A 22 2.150 -11.241 -1.513 1.00 0.00 C ATOM 366 C GLU A 22 1.252 -10.304 -0.715 1.00 0.00 C ATOM 367 O GLU A 22 1.694 -9.257 -0.239 1.00 0.00 O ATOM 368 CB GLU A 22 1.869 -11.088 -3.009 1.00 0.00 C ATOM 369 CG GLU A 22 3.026 -11.525 -3.894 1.00 0.00 C ATOM 370 CD GLU A 22 3.493 -10.426 -4.828 1.00 0.00 C ATOM 371 OE1 GLU A 22 2.648 -9.616 -5.263 1.00 0.00 O ATOM 372 OE2 GLU A 22 4.705 -10.378 -5.128 1.00 0.00 O ATOM 0 H GLU A 22 1.631 -13.246 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 22 3.190 -10.975 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.985 -11.672 -3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.634 -10.045 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.859 -11.842 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.722 -12.391 -4.482 1.00 0.00 H new ATOM 379 N LYS A 23 -0.007 -10.694 -0.569 1.00 0.00 N ATOM 380 CA LYS A 23 -0.973 -9.895 0.176 1.00 0.00 C ATOM 381 C LYS A 23 -0.510 -9.693 1.615 1.00 0.00 C ATOM 382 O LYS A 23 -0.673 -8.614 2.184 1.00 0.00 O ATOM 383 CB LYS A 23 -2.347 -10.569 0.161 1.00 0.00 C ATOM 384 CG LYS A 23 -3.503 -9.591 0.042 1.00 0.00 C ATOM 385 CD LYS A 23 -4.845 -10.299 0.143 1.00 0.00 C ATOM 386 CE LYS A 23 -5.020 -11.323 -0.967 1.00 0.00 C ATOM 387 NZ LYS A 23 -6.384 -11.920 -0.962 1.00 0.00 N ATOM 0 H LYS A 23 -0.384 -11.559 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.051 -8.920 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.389 -11.271 -0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.467 -11.151 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.427 -8.839 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.439 -9.065 -0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.925 -10.793 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.649 -9.565 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.835 -10.849 -1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.278 -12.113 -0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.309 -12.957 -0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.896 -11.609 -0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.901 -11.611 -1.810 1.00 0.00 H new ATOM 401 N ASP A 24 0.076 -10.736 2.193 1.00 0.00 N ATOM 402 CA ASP A 24 0.571 -10.670 3.562 1.00 0.00 C ATOM 403 C ASP A 24 1.752 -9.711 3.657 1.00 0.00 C ATOM 404 O ASP A 24 1.947 -9.049 4.676 1.00 0.00 O ATOM 405 CB ASP A 24 0.983 -12.061 4.047 1.00 0.00 C ATOM 406 CG ASP A 24 -0.145 -12.785 4.755 1.00 0.00 C ATOM 407 OD1 ASP A 24 -1.321 -12.458 4.486 1.00 0.00 O ATOM 408 OD2 ASP A 24 0.145 -13.678 5.578 1.00 0.00 O ATOM 0 H ASP A 24 0.219 -11.636 1.735 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.231 -10.299 4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.315 -12.656 3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.833 -11.970 4.723 1.00 0.00 H new ATOM 413 N TYR A 25 2.535 -9.642 2.584 1.00 0.00 N ATOM 414 CA TYR A 25 3.695 -8.762 2.543 1.00 0.00 C ATOM 415 C TYR A 25 3.265 -7.300 2.603 1.00 0.00 C ATOM 416 O TYR A 25 3.843 -6.502 3.339 1.00 0.00 O ATOM 417 CB TYR A 25 4.509 -9.015 1.272 1.00 0.00 C ATOM 418 CG TYR A 25 5.991 -8.776 1.444 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.474 -7.533 1.833 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.911 -9.794 1.217 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.828 -7.310 1.993 1.00 0.00 C ATOM 422 CE2 TYR A 25 8.266 -9.579 1.374 1.00 0.00 C ATOM 423 CZ TYR A 25 8.720 -8.336 1.761 1.00 0.00 C ATOM 424 OH TYR A 25 10.070 -8.118 1.918 1.00 0.00 O ATOM 0 H TYR A 25 2.386 -10.185 1.733 1.00 0.00 H new ATOM 0 HA TYR A 25 4.317 -8.977 3.412 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.351 -10.044 0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.135 -8.370 0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.779 -6.727 2.014 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.560 -10.769 0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.186 -6.338 2.298 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.967 -10.381 1.194 1.00 0.00 H new ATOM 0 HH TYR A 25 10.560 -8.943 1.717 1.00 0.00 H new ATOM 434 N LEU A 26 2.243 -6.957 1.824 1.00 0.00 N ATOM 435 CA LEU A 26 1.734 -5.588 1.795 1.00 0.00 C ATOM 436 C LEU A 26 1.138 -5.210 3.144 1.00 0.00 C ATOM 437 O LEU A 26 1.398 -4.128 3.670 1.00 0.00 O ATOM 438 CB LEU A 26 0.674 -5.419 0.699 1.00 0.00 C ATOM 439 CG LEU A 26 0.831 -6.328 -0.523 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.124 -5.904 -1.628 1.00 0.00 C ATOM 441 CD2 LEU A 26 2.268 -6.314 -1.023 1.00 0.00 C ATOM 0 H LEU A 26 1.752 -7.604 1.207 1.00 0.00 H new ATOM 0 HA LEU A 26 2.573 -4.927 1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.308 -5.598 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.689 -4.383 0.362 1.00 0.00 H new ATOM 0 HG LEU A 26 0.584 -7.347 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.001 -6.561 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.150 -5.970 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.092 -4.877 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.357 -6.966 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.546 -5.298 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.931 -6.668 -0.234 1.00 0.00 H new ATOM 453 N TYR A 27 0.341 -6.113 3.697 1.00 0.00 N ATOM 454 CA TYR A 27 -0.298 -5.886 4.988 1.00 0.00 C ATOM 455 C TYR A 27 0.747 -5.720 6.086 1.00 0.00 C ATOM 456 O TYR A 27 0.558 -4.944 7.024 1.00 0.00 O ATOM 457 CB TYR A 27 -1.234 -7.046 5.329 1.00 0.00 C ATOM 458 CG TYR A 27 -2.578 -6.962 4.641 1.00 0.00 C ATOM 459 CD1 TYR A 27 -2.667 -6.786 3.266 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.758 -7.062 5.367 1.00 0.00 C ATOM 461 CE1 TYR A 27 -3.894 -6.710 2.634 1.00 0.00 C ATOM 462 CE2 TYR A 27 -4.990 -6.988 4.743 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.051 -6.812 3.377 1.00 0.00 C ATOM 464 OH TYR A 27 -6.275 -6.737 2.752 1.00 0.00 O ATOM 0 H TYR A 27 0.120 -7.013 3.271 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.881 -4.967 4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.752 -7.984 5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.388 -7.072 6.408 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.763 -6.707 2.681 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.713 -7.200 6.437 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.946 -6.571 1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.898 -7.068 5.322 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.988 -6.828 3.418 1.00 0.00 H new ATOM 474 N ASP A 28 1.848 -6.453 5.963 1.00 0.00 N ATOM 475 CA ASP A 28 2.924 -6.386 6.944 1.00 0.00 C ATOM 476 C ASP A 28 3.573 -5.006 6.944 1.00 0.00 C ATOM 477 O ASP A 28 3.810 -4.420 8.001 1.00 0.00 O ATOM 478 CB ASP A 28 3.975 -7.460 6.652 1.00 0.00 C ATOM 479 CG ASP A 28 4.343 -8.259 7.887 1.00 0.00 C ATOM 480 OD1 ASP A 28 4.397 -7.665 8.984 1.00 0.00 O ATOM 481 OD2 ASP A 28 4.575 -9.480 7.758 1.00 0.00 O ATOM 0 H ASP A 28 2.019 -7.100 5.193 1.00 0.00 H new ATOM 0 HA ASP A 28 2.497 -6.566 7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.597 -8.136 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.870 -6.988 6.248 1.00 0.00 H new ATOM 486 N VAL A 29 3.858 -4.492 5.752 1.00 0.00 N ATOM 487 CA VAL A 29 4.480 -3.180 5.616 1.00 0.00 C ATOM 488 C VAL A 29 3.593 -2.090 6.205 1.00 0.00 C ATOM 489 O VAL A 29 4.058 -1.240 6.965 1.00 0.00 O ATOM 490 CB VAL A 29 4.771 -2.843 4.141 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.665 -1.617 4.041 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.401 -4.034 3.430 1.00 0.00 C ATOM 0 H VAL A 29 3.668 -4.963 4.867 1.00 0.00 H new ATOM 0 HA VAL A 29 5.421 -3.220 6.164 1.00 0.00 H new ATOM 0 HB VAL A 29 3.826 -2.617 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.860 -1.394 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.169 -0.766 4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.608 -1.812 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.598 -3.774 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.337 -4.298 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.719 -4.883 3.469 1.00 0.00 H new ATOM 502 N LEU A 30 2.314 -2.121 5.848 1.00 0.00 N ATOM 503 CA LEU A 30 1.360 -1.135 6.341 1.00 0.00 C ATOM 504 C LEU A 30 1.215 -1.227 7.855 1.00 0.00 C ATOM 505 O LEU A 30 1.294 -0.219 8.558 1.00 0.00 O ATOM 506 CB LEU A 30 -0.001 -1.336 5.670 1.00 0.00 C ATOM 507 CG LEU A 30 -0.170 -0.637 4.321 1.00 0.00 C ATOM 508 CD1 LEU A 30 -1.149 -1.398 3.442 1.00 0.00 C ATOM 509 CD2 LEU A 30 -0.634 0.799 4.521 1.00 0.00 C ATOM 0 H LEU A 30 1.914 -2.818 5.219 1.00 0.00 H new ATOM 0 HA LEU A 30 1.737 -0.143 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.166 -2.404 5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.778 -0.979 6.346 1.00 0.00 H new ATOM 0 HG LEU A 30 0.797 -0.620 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.255 -0.884 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.776 -2.408 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.119 -1.448 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.749 1.283 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.590 0.803 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.105 1.341 5.111 1.00 0.00 H new ATOM 521 N ARG A 31 1.005 -2.441 8.355 1.00 0.00 N ATOM 522 CA ARG A 31 0.853 -2.663 9.789 1.00 0.00 C ATOM 523 C ARG A 31 2.070 -2.146 10.550 1.00 0.00 C ATOM 524 O ARG A 31 1.940 -1.537 11.611 1.00 0.00 O ATOM 525 CB ARG A 31 0.648 -4.150 10.081 1.00 0.00 C ATOM 526 CG ARG A 31 -0.272 -4.416 11.261 1.00 0.00 C ATOM 527 CD ARG A 31 -0.295 -5.892 11.627 1.00 0.00 C ATOM 528 NE ARG A 31 1.020 -6.374 12.043 1.00 0.00 N ATOM 529 CZ ARG A 31 1.346 -7.662 12.124 1.00 0.00 C ATOM 530 NH1 ARG A 31 0.455 -8.599 11.822 1.00 0.00 N ATOM 531 NH2 ARG A 31 2.564 -8.016 12.511 1.00 0.00 N ATOM 0 H ARG A 31 0.936 -3.286 7.788 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.026 -2.112 10.124 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.237 -4.633 9.194 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.617 -4.611 10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.058 -3.832 12.120 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.282 -4.084 11.019 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.012 -6.055 12.432 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.640 -6.472 10.771 1.00 0.00 H new ATOM 0 HE ARG A 31 1.730 -5.683 12.286 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.484 -8.333 11.526 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.710 -9.585 11.886 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.252 -7.301 12.747 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.813 -9.003 12.573 1.00 0.00 H new ATOM 545 N MET A 32 3.250 -2.392 9.994 1.00 0.00 N ATOM 546 CA MET A 32 4.492 -1.950 10.612 1.00 0.00 C ATOM 547 C MET A 32 4.711 -0.460 10.370 1.00 0.00 C ATOM 548 O MET A 32 5.300 0.235 11.199 1.00 0.00 O ATOM 549 CB MET A 32 5.674 -2.749 10.061 1.00 0.00 C ATOM 550 CG MET A 32 5.869 -4.093 10.743 1.00 0.00 C ATOM 551 SD MET A 32 7.517 -4.774 10.476 1.00 0.00 S ATOM 552 CE MET A 32 8.511 -3.643 11.446 1.00 0.00 C ATOM 0 H MET A 32 3.372 -2.896 9.115 1.00 0.00 H new ATOM 0 HA MET A 32 4.420 -2.122 11.686 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.527 -2.911 8.993 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.584 -2.159 10.172 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.695 -3.982 11.813 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.125 -4.797 10.371 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.241 -4.207 12.027 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.030 -2.953 10.781 1.00 0.00 H new ATOM 0 HE3 MET A 32 7.867 -3.080 12.122 1.00 0.00 H new ATOM 562 N TYR A 33 4.230 0.025 9.230 1.00 0.00 N ATOM 563 CA TYR A 33 4.366 1.431 8.876 1.00 0.00 C ATOM 564 C TYR A 33 3.637 2.314 9.884 1.00 0.00 C ATOM 565 O TYR A 33 4.048 3.444 10.149 1.00 0.00 O ATOM 566 CB TYR A 33 3.815 1.676 7.469 1.00 0.00 C ATOM 567 CG TYR A 33 3.825 3.129 7.051 1.00 0.00 C ATOM 568 CD1 TYR A 33 4.966 3.907 7.197 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.691 3.724 6.509 1.00 0.00 C ATOM 570 CE1 TYR A 33 4.978 5.236 6.815 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.695 5.050 6.124 1.00 0.00 C ATOM 572 CZ TYR A 33 3.841 5.802 6.279 1.00 0.00 C ATOM 573 OH TYR A 33 3.850 7.124 5.897 1.00 0.00 O ATOM 0 H TYR A 33 3.741 -0.538 8.534 1.00 0.00 H new ATOM 0 HA TYR A 33 5.425 1.689 8.893 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.401 1.099 6.754 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.793 1.301 7.419 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.859 3.467 7.616 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.792 3.139 6.387 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.874 5.827 6.936 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.806 5.496 5.704 1.00 0.00 H new ATOM 0 HH TYR A 33 2.986 7.533 6.113 1.00 0.00 H new ATOM 583 N HIS A 34 2.552 1.790 10.445 1.00 0.00 N ATOM 584 CA HIS A 34 1.765 2.530 11.426 1.00 0.00 C ATOM 585 C HIS A 34 2.521 2.663 12.743 1.00 0.00 C ATOM 586 O HIS A 34 2.592 3.745 13.323 1.00 0.00 O ATOM 587 CB HIS A 34 0.423 1.835 11.662 1.00 0.00 C ATOM 588 CG HIS A 34 -0.553 2.664 12.439 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.102 2.256 13.635 1.00 0.00 N ATOM 590 CD2 HIS A 34 -1.075 3.889 12.184 1.00 0.00 C ATOM 591 CE1 HIS A 34 -1.922 3.192 14.083 1.00 0.00 C ATOM 592 NE2 HIS A 34 -1.922 4.191 13.222 1.00 0.00 N ATOM 0 H HIS A 34 2.198 0.856 10.237 1.00 0.00 H new ATOM 0 HA HIS A 34 1.584 3.530 11.030 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.018 1.577 10.699 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.596 0.899 12.194 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.864 4.510 11.326 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.494 3.146 14.998 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.464 5.050 13.313 1.00 0.00 H new ATOM 601 N GLN A 35 3.081 1.551 13.212 1.00 0.00 N ATOM 602 CA GLN A 35 3.831 1.541 14.463 1.00 0.00 C ATOM 603 C GLN A 35 5.197 2.198 14.288 1.00 0.00 C ATOM 604 O GLN A 35 5.681 2.896 15.179 1.00 0.00 O ATOM 605 CB GLN A 35 4.000 0.109 14.969 1.00 0.00 C ATOM 606 CG GLN A 35 4.518 -0.853 13.912 1.00 0.00 C ATOM 607 CD GLN A 35 5.016 -2.157 14.503 1.00 0.00 C ATOM 608 OE1 GLN A 35 5.996 -2.768 13.848 1.00 0.00 O flip ATOM 609 NE2 GLN A 35 4.526 -2.610 15.539 1.00 0.00 N flip ATOM 0 H GLN A 35 3.029 0.646 12.744 1.00 0.00 H new ATOM 0 HA GLN A 35 3.267 2.114 15.199 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.687 0.110 15.815 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.040 -0.253 15.338 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.723 -1.063 13.197 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.327 -0.377 13.358 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.774 -2.107 16.010 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.873 -3.488 15.926 1.00 0.00 H new ATOM 618 N THR A 36 5.813 1.966 13.135 1.00 0.00 N ATOM 619 CA THR A 36 7.125 2.531 12.842 1.00 0.00 C ATOM 620 C THR A 36 7.008 3.995 12.428 1.00 0.00 C ATOM 621 O THR A 36 7.803 4.836 12.851 1.00 0.00 O ATOM 622 CB THR A 36 7.812 1.730 11.735 1.00 0.00 C ATOM 623 OG1 THR A 36 7.091 1.831 10.521 1.00 0.00 O ATOM 624 CG2 THR A 36 7.957 0.259 12.063 1.00 0.00 C ATOM 0 H THR A 36 5.425 1.390 12.387 1.00 0.00 H new ATOM 0 HA THR A 36 7.727 2.476 13.749 1.00 0.00 H new ATOM 0 HB THR A 36 8.807 2.164 11.639 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.345 1.196 10.530 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.452 -0.251 11.237 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.553 0.145 12.969 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.971 -0.178 12.220 1.00 0.00 H new ATOM 632 N MET A 37 6.014 4.292 11.598 1.00 0.00 N ATOM 633 CA MET A 37 5.793 5.654 11.124 1.00 0.00 C ATOM 634 C MET A 37 6.988 6.150 10.315 1.00 0.00 C ATOM 635 O MET A 37 7.451 7.276 10.498 1.00 0.00 O ATOM 636 CB MET A 37 5.535 6.592 12.306 1.00 0.00 C ATOM 637 CG MET A 37 4.526 7.687 12.002 1.00 0.00 C ATOM 638 SD MET A 37 3.450 8.049 13.403 1.00 0.00 S ATOM 639 CE MET A 37 2.021 7.048 12.998 1.00 0.00 C ATOM 0 H MET A 37 5.348 3.608 11.239 1.00 0.00 H new ATOM 0 HA MET A 37 4.917 5.649 10.476 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.179 6.006 13.154 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.477 7.050 12.608 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.056 8.594 11.712 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.917 7.388 11.149 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.509 6.757 13.915 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.341 7.623 12.370 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.342 6.155 12.462 1.00 0.00 H new ATOM 649 N ASP A 38 7.482 5.302 9.418 1.00 0.00 N ATOM 650 CA ASP A 38 8.621 5.654 8.578 1.00 0.00 C ATOM 651 C ASP A 38 8.312 5.395 7.107 1.00 0.00 C ATOM 652 O ASP A 38 8.308 4.249 6.657 1.00 0.00 O ATOM 653 CB ASP A 38 9.857 4.859 9.002 1.00 0.00 C ATOM 654 CG ASP A 38 10.550 5.466 10.206 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.181 5.106 11.345 1.00 0.00 O ATOM 656 OD2 ASP A 38 11.459 6.299 10.012 1.00 0.00 O ATOM 0 H ASP A 38 7.111 4.366 9.254 1.00 0.00 H new ATOM 0 HA ASP A 38 8.822 6.718 8.705 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.565 3.834 9.233 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.558 4.811 8.169 1.00 0.00 H new ATOM 661 N VAL A 39 8.053 6.466 6.366 1.00 0.00 N ATOM 662 CA VAL A 39 7.742 6.357 4.945 1.00 0.00 C ATOM 663 C VAL A 39 8.873 5.676 4.184 1.00 0.00 C ATOM 664 O VAL A 39 8.643 5.003 3.179 1.00 0.00 O ATOM 665 CB VAL A 39 7.476 7.739 4.318 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.935 7.591 2.906 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.518 8.543 5.184 1.00 0.00 C ATOM 0 H VAL A 39 8.052 7.421 6.726 1.00 0.00 H new ATOM 0 HA VAL A 39 6.839 5.752 4.867 1.00 0.00 H new ATOM 0 HB VAL A 39 8.421 8.280 4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.754 8.578 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.662 7.059 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.001 7.030 2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.342 9.516 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.573 8.008 5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.952 8.682 6.174 1.00 0.00 H new ATOM 677 N ALA A 40 10.098 5.855 4.670 1.00 0.00 N ATOM 678 CA ALA A 40 11.267 5.257 4.035 1.00 0.00 C ATOM 679 C ALA A 40 11.159 3.736 4.011 1.00 0.00 C ATOM 680 O ALA A 40 11.463 3.099 3.002 1.00 0.00 O ATOM 681 CB ALA A 40 12.535 5.687 4.757 1.00 0.00 C ATOM 0 H ALA A 40 10.306 6.409 5.501 1.00 0.00 H new ATOM 0 HA ALA A 40 11.312 5.608 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.400 5.234 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.625 6.773 4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.489 5.363 5.797 1.00 0.00 H new ATOM 687 N VAL A 41 10.725 3.160 5.126 1.00 0.00 N ATOM 688 CA VAL A 41 10.578 1.714 5.231 1.00 0.00 C ATOM 689 C VAL A 41 9.367 1.227 4.441 1.00 0.00 C ATOM 690 O VAL A 41 9.396 0.151 3.844 1.00 0.00 O ATOM 691 CB VAL A 41 10.431 1.267 6.700 1.00 0.00 C ATOM 692 CG1 VAL A 41 10.438 -0.250 6.802 1.00 0.00 C ATOM 693 CG2 VAL A 41 11.537 1.870 7.555 1.00 0.00 C ATOM 0 H VAL A 41 10.469 3.673 5.970 1.00 0.00 H new ATOM 0 HA VAL A 41 11.484 1.273 4.814 1.00 0.00 H new ATOM 0 HB VAL A 41 9.473 1.628 7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.333 -0.545 7.846 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.608 -0.657 6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.378 -0.637 6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.417 1.544 8.588 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.506 1.541 7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.480 2.958 7.509 1.00 0.00 H new ATOM 703 N LEU A 42 8.307 2.027 4.444 1.00 0.00 N ATOM 704 CA LEU A 42 7.085 1.679 3.730 1.00 0.00 C ATOM 705 C LEU A 42 7.336 1.602 2.226 1.00 0.00 C ATOM 706 O LEU A 42 7.002 0.609 1.582 1.00 0.00 O ATOM 707 CB LEU A 42 5.988 2.707 4.025 1.00 0.00 C ATOM 708 CG LEU A 42 4.684 2.508 3.249 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.816 1.457 3.926 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.933 3.824 3.125 1.00 0.00 C ATOM 0 H LEU A 42 8.269 2.921 4.933 1.00 0.00 H new ATOM 0 HA LEU A 42 6.758 0.698 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.765 2.681 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.375 3.702 3.804 1.00 0.00 H new ATOM 0 HG LEU A 42 4.928 2.157 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.893 1.328 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.354 0.510 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.579 1.779 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.008 3.664 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.699 4.204 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.553 4.548 2.596 1.00 0.00 H new ATOM 722 N VAL A 43 7.921 2.661 1.674 1.00 0.00 N ATOM 723 CA VAL A 43 8.214 2.713 0.247 1.00 0.00 C ATOM 724 C VAL A 43 9.202 1.624 -0.157 1.00 0.00 C ATOM 725 O VAL A 43 9.068 1.014 -1.218 1.00 0.00 O ATOM 726 CB VAL A 43 8.788 4.085 -0.157 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.915 4.189 -1.669 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.925 5.213 0.392 1.00 0.00 C ATOM 0 H VAL A 43 8.201 3.493 2.193 1.00 0.00 H new ATOM 0 HA VAL A 43 7.270 2.551 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 43 9.784 4.179 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.322 5.165 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.582 3.407 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.933 4.070 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.348 6.173 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.914 5.124 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.894 5.151 1.480 1.00 0.00 H new ATOM 738 N GLY A 44 10.194 1.385 0.694 1.00 0.00 N ATOM 739 CA GLY A 44 11.191 0.370 0.405 1.00 0.00 C ATOM 740 C GLY A 44 10.583 -1.004 0.205 1.00 0.00 C ATOM 741 O GLY A 44 10.710 -1.597 -0.867 1.00 0.00 O ATOM 0 H GLY A 44 10.326 1.876 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.743 0.653 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.910 0.329 1.223 1.00 0.00 H new ATOM 745 N ASP A 45 9.925 -1.515 1.240 1.00 0.00 N ATOM 746 CA ASP A 45 9.298 -2.831 1.174 1.00 0.00 C ATOM 747 C ASP A 45 8.255 -2.887 0.062 1.00 0.00 C ATOM 748 O ASP A 45 8.278 -3.786 -0.780 1.00 0.00 O ATOM 749 CB ASP A 45 8.648 -3.175 2.515 1.00 0.00 C ATOM 750 CG ASP A 45 9.644 -3.168 3.659 1.00 0.00 C ATOM 751 OD1 ASP A 45 10.631 -3.929 3.591 1.00 0.00 O ATOM 752 OD2 ASP A 45 9.434 -2.404 4.623 1.00 0.00 O ATOM 0 H ASP A 45 9.812 -1.038 2.135 1.00 0.00 H new ATOM 0 HA ASP A 45 10.075 -3.563 0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.853 -2.459 2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.182 -4.158 2.448 1.00 0.00 H new ATOM 757 N LEU A 46 7.340 -1.922 0.064 1.00 0.00 N ATOM 758 CA LEU A 46 6.287 -1.864 -0.944 1.00 0.00 C ATOM 759 C LEU A 46 6.873 -1.867 -2.352 1.00 0.00 C ATOM 760 O LEU A 46 6.239 -2.333 -3.297 1.00 0.00 O ATOM 761 CB LEU A 46 5.427 -0.614 -0.742 1.00 0.00 C ATOM 762 CG LEU A 46 4.273 -0.775 0.249 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.690 0.580 0.612 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.198 -1.683 -0.330 1.00 0.00 C ATOM 0 H LEU A 46 7.307 -1.170 0.752 1.00 0.00 H new ATOM 0 HA LEU A 46 5.664 -2.751 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.068 0.198 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.018 -0.313 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 46 4.660 -1.236 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.870 0.446 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.463 1.199 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.317 1.069 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.384 -1.787 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.814 -1.249 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.624 -2.664 -0.540 1.00 0.00 H new ATOM 776 N LYS A 47 8.086 -1.346 -2.488 1.00 0.00 N ATOM 777 CA LYS A 47 8.752 -1.294 -3.785 1.00 0.00 C ATOM 778 C LYS A 47 9.243 -2.679 -4.198 1.00 0.00 C ATOM 779 O LYS A 47 8.953 -3.150 -5.296 1.00 0.00 O ATOM 780 CB LYS A 47 9.923 -0.311 -3.743 1.00 0.00 C ATOM 781 CG LYS A 47 9.587 1.059 -4.310 1.00 0.00 C ATOM 782 CD LYS A 47 10.812 1.732 -4.910 1.00 0.00 C ATOM 783 CE LYS A 47 11.327 2.851 -4.019 1.00 0.00 C ATOM 784 NZ LYS A 47 12.148 3.833 -4.779 1.00 0.00 N ATOM 0 H LYS A 47 8.628 -0.954 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 47 8.029 -0.950 -4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.254 -0.197 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.760 -0.731 -4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.816 0.958 -5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.175 1.689 -3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.599 0.992 -5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.563 2.133 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.484 3.364 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.924 2.427 -3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.480 4.580 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.967 3.349 -5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.572 4.257 -5.534 1.00 0.00 H new ATOM 798 N LEU A 48 9.991 -3.324 -3.309 1.00 0.00 N ATOM 799 CA LEU A 48 10.528 -4.655 -3.579 1.00 0.00 C ATOM 800 C LEU A 48 9.424 -5.626 -3.983 1.00 0.00 C ATOM 801 O LEU A 48 9.646 -6.534 -4.785 1.00 0.00 O ATOM 802 CB LEU A 48 11.264 -5.187 -2.349 1.00 0.00 C ATOM 803 CG LEU A 48 12.339 -4.253 -1.785 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.308 -4.256 -0.264 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.714 -4.660 -2.294 1.00 0.00 C ATOM 0 H LEU A 48 10.240 -2.947 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 48 11.228 -4.571 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.533 -5.390 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.729 -6.139 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 48 12.130 -3.240 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.079 -3.586 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.331 -3.918 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.492 -5.266 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.467 -3.987 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.931 -5.681 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.730 -4.604 -3.382 1.00 0.00 H new ATOM 817 N VAL A 49 8.235 -5.437 -3.418 1.00 0.00 N ATOM 818 CA VAL A 49 7.103 -6.306 -3.721 1.00 0.00 C ATOM 819 C VAL A 49 6.283 -5.766 -4.890 1.00 0.00 C ATOM 820 O VAL A 49 5.912 -6.510 -5.797 1.00 0.00 O ATOM 821 CB VAL A 49 6.199 -6.491 -2.480 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.159 -5.382 -2.361 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.527 -7.856 -2.508 1.00 0.00 C ATOM 0 H VAL A 49 8.031 -4.693 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 49 7.508 -7.277 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 49 6.838 -6.431 -1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.546 -5.552 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.662 -4.419 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.524 -5.382 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.895 -7.968 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.916 -7.942 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.288 -8.636 -2.510 1.00 0.00 H new ATOM 833 N ILE A 50 6.009 -4.467 -4.859 1.00 0.00 N ATOM 834 CA ILE A 50 5.231 -3.822 -5.916 1.00 0.00 C ATOM 835 C ILE A 50 6.132 -3.275 -7.024 1.00 0.00 C ATOM 836 O ILE A 50 5.730 -2.396 -7.786 1.00 0.00 O ATOM 837 CB ILE A 50 4.362 -2.672 -5.361 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.596 -3.132 -4.118 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.402 -2.168 -6.430 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.609 -2.110 -3.598 1.00 0.00 C ATOM 0 H ILE A 50 6.313 -3.838 -4.115 1.00 0.00 H new ATOM 0 HA ILE A 50 4.581 -4.592 -6.332 1.00 0.00 H new ATOM 0 HB ILE A 50 5.017 -1.849 -5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.062 -4.053 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.310 -3.368 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.797 -1.358 -6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.970 -1.802 -7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.751 -2.983 -6.748 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.105 -2.507 -2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.139 -1.195 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.872 -1.891 -4.370 1.00 0.00 H new ATOM 852 N ASN A 51 7.353 -3.796 -7.113 1.00 0.00 N ATOM 853 CA ASN A 51 8.300 -3.354 -8.132 1.00 0.00 C ATOM 854 C ASN A 51 7.754 -3.627 -9.529 1.00 0.00 C ATOM 855 O ASN A 51 7.931 -2.824 -10.446 1.00 0.00 O ATOM 856 CB ASN A 51 9.647 -4.057 -7.950 1.00 0.00 C ATOM 857 CG ASN A 51 10.709 -3.138 -7.381 1.00 0.00 C ATOM 858 OD1 ASN A 51 10.737 -1.944 -7.680 1.00 0.00 O ATOM 859 ND2 ASN A 51 11.592 -3.692 -6.559 1.00 0.00 N ATOM 0 H ASN A 51 7.709 -4.523 -6.493 1.00 0.00 H new ATOM 0 HA ASN A 51 8.445 -2.280 -8.019 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.520 -4.913 -7.288 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.984 -4.445 -8.911 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.332 -3.124 -6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.530 -4.686 -6.339 1.00 0.00 H new ATOM 866 N GLU A 52 7.088 -4.768 -9.684 1.00 0.00 N ATOM 867 CA GLU A 52 6.512 -5.157 -10.963 1.00 0.00 C ATOM 868 C GLU A 52 5.637 -4.040 -11.531 1.00 0.00 C ATOM 869 O GLU A 52 4.616 -3.684 -10.945 1.00 0.00 O ATOM 870 CB GLU A 52 5.689 -6.439 -10.802 1.00 0.00 C ATOM 871 CG GLU A 52 6.260 -7.629 -11.556 1.00 0.00 C ATOM 872 CD GLU A 52 6.424 -7.354 -13.039 1.00 0.00 C ATOM 873 OE1 GLU A 52 5.473 -6.827 -13.654 1.00 0.00 O ATOM 874 OE2 GLU A 52 7.502 -7.668 -13.586 1.00 0.00 O ATOM 0 H GLU A 52 6.935 -5.441 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 52 7.328 -5.341 -11.662 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.624 -6.688 -9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.672 -6.254 -11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.228 -7.894 -11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.605 -8.489 -11.420 1.00 0.00 H new ATOM 881 N PRO A 53 6.031 -3.470 -12.681 1.00 0.00 N ATOM 882 CA PRO A 53 5.283 -2.390 -13.330 1.00 0.00 C ATOM 883 C PRO A 53 3.775 -2.633 -13.328 1.00 0.00 C ATOM 884 O PRO A 53 2.985 -1.690 -13.292 1.00 0.00 O ATOM 885 CB PRO A 53 5.829 -2.408 -14.756 1.00 0.00 C ATOM 886 CG PRO A 53 7.232 -2.888 -14.613 1.00 0.00 C ATOM 887 CD PRO A 53 7.243 -3.834 -13.439 1.00 0.00 C ATOM 0 HA PRO A 53 5.408 -1.437 -12.816 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.246 -3.071 -15.396 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.793 -1.416 -15.207 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.564 -3.392 -15.521 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.912 -2.053 -14.445 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.214 -4.874 -13.763 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.143 -3.713 -12.836 1.00 0.00 H new ATOM 895 N SER A 54 3.384 -3.903 -13.367 1.00 0.00 N ATOM 896 CA SER A 54 1.972 -4.267 -13.369 1.00 0.00 C ATOM 897 C SER A 54 1.317 -3.923 -12.033 1.00 0.00 C ATOM 898 O SER A 54 0.126 -3.619 -11.972 1.00 0.00 O ATOM 899 CB SER A 54 1.809 -5.760 -13.658 1.00 0.00 C ATOM 900 OG SER A 54 1.702 -6.002 -15.051 1.00 0.00 O ATOM 0 H SER A 54 4.025 -4.696 -13.398 1.00 0.00 H new ATOM 0 HA SER A 54 1.478 -3.694 -14.154 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.662 -6.307 -13.255 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.921 -6.137 -13.151 1.00 0.00 H new ATOM 0 HG SER A 54 1.600 -6.964 -15.209 1.00 0.00 H new ATOM 906 N ARG A 55 2.107 -3.974 -10.964 1.00 0.00 N ATOM 907 CA ARG A 55 1.610 -3.669 -9.626 1.00 0.00 C ATOM 908 C ARG A 55 1.753 -2.181 -9.300 1.00 0.00 C ATOM 909 O ARG A 55 1.382 -1.741 -8.213 1.00 0.00 O ATOM 910 CB ARG A 55 2.364 -4.497 -8.583 1.00 0.00 C ATOM 911 CG ARG A 55 2.253 -5.998 -8.795 1.00 0.00 C ATOM 912 CD ARG A 55 3.256 -6.754 -7.938 1.00 0.00 C ATOM 913 NE ARG A 55 2.868 -8.150 -7.743 1.00 0.00 N ATOM 914 CZ ARG A 55 2.984 -9.089 -8.679 1.00 0.00 C ATOM 915 NH1 ARG A 55 3.473 -8.786 -9.876 1.00 0.00 N ATOM 916 NH2 ARG A 55 2.611 -10.335 -8.419 1.00 0.00 N ATOM 0 H ARG A 55 3.095 -4.224 -10.999 1.00 0.00 H new ATOM 0 HA ARG A 55 0.550 -3.923 -9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.416 -4.214 -8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.983 -4.250 -7.592 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.243 -6.328 -8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.421 -6.232 -9.846 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.238 -6.713 -8.409 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.346 -6.264 -6.969 1.00 0.00 H new ATOM 0 HE ARG A 55 2.486 -8.420 -6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.762 -7.830 -10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.560 -9.510 -10.590 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.235 -10.574 -7.501 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.700 -11.054 -9.137 1.00 0.00 H new ATOM 930 N LEU A 56 2.296 -1.409 -10.239 1.00 0.00 N ATOM 931 CA LEU A 56 2.487 0.023 -10.030 1.00 0.00 C ATOM 932 C LEU A 56 1.171 0.717 -9.670 1.00 0.00 C ATOM 933 O LEU A 56 1.118 1.496 -8.718 1.00 0.00 O ATOM 934 CB LEU A 56 3.098 0.666 -11.276 1.00 0.00 C ATOM 935 CG LEU A 56 4.623 0.572 -11.370 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.103 1.028 -12.739 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.275 1.399 -10.271 1.00 0.00 C ATOM 0 H LEU A 56 2.610 -1.750 -11.148 1.00 0.00 H new ATOM 0 HA LEU A 56 3.173 0.147 -9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.665 0.196 -12.159 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.811 1.717 -11.302 1.00 0.00 H new ATOM 0 HG LEU A 56 4.914 -0.470 -11.235 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.189 0.954 -12.787 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.662 0.395 -13.509 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.802 2.063 -12.904 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.359 1.321 -10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.977 2.442 -10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.956 1.026 -9.298 1.00 0.00 H new ATOM 949 N PRO A 57 0.088 0.449 -10.424 1.00 0.00 N ATOM 950 CA PRO A 57 -1.221 1.062 -10.165 1.00 0.00 C ATOM 951 C PRO A 57 -1.670 0.892 -8.717 1.00 0.00 C ATOM 952 O PRO A 57 -2.482 1.669 -8.215 1.00 0.00 O ATOM 953 CB PRO A 57 -2.162 0.303 -11.104 1.00 0.00 C ATOM 954 CG PRO A 57 -1.288 -0.185 -12.206 1.00 0.00 C ATOM 955 CD PRO A 57 0.051 -0.464 -11.582 1.00 0.00 C ATOM 0 HA PRO A 57 -1.202 2.139 -10.333 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.650 -0.525 -10.590 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.951 0.952 -11.483 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.701 -1.085 -12.662 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.202 0.562 -12.996 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.141 -1.506 -11.275 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.867 -0.265 -12.277 1.00 0.00 H new ATOM 963 N LEU A 58 -1.143 -0.131 -8.051 1.00 0.00 N ATOM 964 CA LEU A 58 -1.493 -0.407 -6.662 1.00 0.00 C ATOM 965 C LEU A 58 -1.239 0.809 -5.773 1.00 0.00 C ATOM 966 O LEU A 58 -2.075 1.168 -4.942 1.00 0.00 O ATOM 967 CB LEU A 58 -0.695 -1.607 -6.145 1.00 0.00 C ATOM 968 CG LEU A 58 -1.449 -2.528 -5.185 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.690 -3.833 -4.994 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.671 -1.839 -3.848 1.00 0.00 C ATOM 0 H LEU A 58 -0.470 -0.784 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.558 -0.638 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.360 -2.195 -6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.199 -1.239 -5.642 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.423 -2.756 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.240 -4.477 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.582 -4.335 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.297 -3.623 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.209 -2.510 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.708 -1.581 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.255 -0.931 -3.999 1.00 0.00 H new ATOM 982 N PHE A 59 -0.081 1.437 -5.951 1.00 0.00 N ATOM 983 CA PHE A 59 0.291 2.611 -5.163 1.00 0.00 C ATOM 984 C PHE A 59 -0.822 3.658 -5.157 1.00 0.00 C ATOM 985 O PHE A 59 -0.976 4.411 -4.192 1.00 0.00 O ATOM 986 CB PHE A 59 1.577 3.230 -5.714 1.00 0.00 C ATOM 987 CG PHE A 59 2.803 2.399 -5.454 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.223 2.150 -4.158 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.532 1.869 -6.506 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.349 1.388 -3.915 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.660 1.105 -6.270 1.00 0.00 C ATOM 992 CZ PHE A 59 5.068 0.864 -4.971 1.00 0.00 C ATOM 0 H PHE A 59 0.619 1.153 -6.636 1.00 0.00 H new ATOM 0 HA PHE A 59 0.454 2.282 -4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.469 3.377 -6.789 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.715 4.216 -5.270 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.664 2.556 -3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.216 2.055 -7.522 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.667 1.202 -2.900 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.221 0.698 -7.098 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.948 0.267 -4.783 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.591 3.704 -6.239 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.683 4.661 -6.363 1.00 0.00 C ATOM 1004 C ASP A 60 -3.632 4.575 -5.176 1.00 0.00 C ATOM 1005 O ASP A 60 -3.871 5.564 -4.489 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.452 4.422 -7.664 1.00 0.00 C ATOM 1007 CG ASP A 60 -3.910 5.714 -8.312 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -4.469 6.573 -7.596 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -3.709 5.869 -9.535 1.00 0.00 O ATOM 0 H ASP A 60 -1.478 3.088 -7.044 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.250 5.661 -6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.819 3.874 -8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.319 3.794 -7.460 1.00 0.00 H new ATOM 1014 N ALA A 61 -4.171 3.386 -4.949 1.00 0.00 N ATOM 1015 CA ALA A 61 -5.104 3.159 -3.848 1.00 0.00 C ATOM 1016 C ALA A 61 -4.402 3.186 -2.490 1.00 0.00 C ATOM 1017 O ALA A 61 -5.049 3.349 -1.456 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.833 1.839 -4.044 1.00 0.00 C ATOM 0 H ALA A 61 -3.979 2.559 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.829 3.973 -3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.526 1.680 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.387 1.865 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.109 1.024 -4.073 1.00 0.00 H new ATOM 1024 N ILE A 62 -3.083 3.019 -2.492 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.313 3.022 -1.251 1.00 0.00 C ATOM 1026 C ILE A 62 -2.165 4.435 -0.685 1.00 0.00 C ATOM 1027 O ILE A 62 -2.070 4.616 0.529 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.912 2.408 -1.451 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.032 0.976 -1.975 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -0.123 2.431 -0.148 1.00 0.00 C ATOM 1031 CD1 ILE A 62 0.263 0.426 -2.533 1.00 0.00 C ATOM 0 H ILE A 62 -2.526 2.880 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.870 2.411 -0.541 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.375 3.007 -2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.374 0.329 -1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.795 0.945 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.862 1.993 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.011 3.461 0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.655 1.855 0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.103 -0.593 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.596 1.050 -3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.024 0.425 -1.753 1.00 0.00 H new ATOM 1043 N ARG A 63 -2.140 5.431 -1.564 1.00 0.00 N ATOM 1044 CA ARG A 63 -1.994 6.821 -1.129 1.00 0.00 C ATOM 1045 C ARG A 63 -3.205 7.278 -0.311 1.00 0.00 C ATOM 1046 O ARG A 63 -3.056 7.759 0.812 1.00 0.00 O ATOM 1047 CB ARG A 63 -1.786 7.761 -2.326 1.00 0.00 C ATOM 1048 CG ARG A 63 -1.124 7.101 -3.528 1.00 0.00 C ATOM 1049 CD ARG A 63 -0.617 8.136 -4.521 1.00 0.00 C ATOM 1050 NE ARG A 63 -0.605 7.622 -5.889 1.00 0.00 N ATOM 1051 CZ ARG A 63 -0.646 8.392 -6.974 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -0.693 9.714 -6.858 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -0.636 7.839 -8.178 1.00 0.00 N ATOM 0 H ARG A 63 -2.218 5.307 -2.573 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.109 6.867 -0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.753 8.162 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.176 8.607 -2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.294 6.480 -3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.837 6.441 -4.021 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.247 9.024 -4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.390 8.444 -4.241 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.563 6.611 -6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.698 10.145 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.724 10.298 -7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.597 6.824 -8.273 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.667 8.428 -9.010 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.424 7.137 -0.865 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.661 7.541 -0.186 1.00 0.00 C ATOM 1069 C PRO A 64 -5.690 7.167 1.294 1.00 0.00 C ATOM 1070 O PRO A 64 -5.948 8.012 2.151 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.729 6.763 -0.950 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.194 6.656 -2.334 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.695 6.578 -2.203 1.00 0.00 C ATOM 0 HA PRO A 64 -5.791 8.623 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.893 5.779 -0.511 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.687 7.283 -0.934 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.587 5.772 -2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.488 7.519 -2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.340 5.551 -2.286 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.196 7.152 -2.984 1.00 0.00 H new ATOM 1081 N LEU A 65 -5.432 5.897 1.589 1.00 0.00 N ATOM 1082 CA LEU A 65 -5.441 5.418 2.968 1.00 0.00 C ATOM 1083 C LEU A 65 -4.322 6.057 3.787 1.00 0.00 C ATOM 1084 O LEU A 65 -4.394 6.111 5.015 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.320 3.894 3.004 1.00 0.00 C ATOM 1086 CG LEU A 65 -3.926 3.342 2.691 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -3.249 2.854 3.963 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.012 2.222 1.665 1.00 0.00 C ATOM 0 H LEU A 65 -5.215 5.182 0.894 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.392 5.708 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.617 3.545 3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.029 3.472 2.291 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.324 4.146 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.260 2.465 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.152 3.683 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.849 2.064 4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.012 1.843 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.631 1.415 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.455 2.604 0.745 1.00 0.00 H new ATOM 1100 N ILE A 66 -3.286 6.536 3.106 1.00 0.00 N ATOM 1101 CA ILE A 66 -2.157 7.166 3.780 1.00 0.00 C ATOM 1102 C ILE A 66 -2.465 8.630 4.108 1.00 0.00 C ATOM 1103 O ILE A 66 -3.213 9.292 3.388 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.868 7.062 2.924 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.286 6.507 3.764 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -0.487 8.405 2.313 1.00 0.00 C ATOM 1107 CD1 ILE A 66 0.685 5.099 3.381 1.00 0.00 C ATOM 0 H ILE A 66 -3.205 6.500 2.090 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.988 6.632 4.715 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.070 6.374 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.150 7.163 3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.000 6.522 4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.421 8.291 1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.296 8.756 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.313 9.130 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.507 4.769 4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.166 4.431 3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.002 5.082 2.338 1.00 0.00 H new ATOM 1119 N PRO A 67 -1.891 9.154 5.207 1.00 0.00 N ATOM 1120 CA PRO A 67 -2.109 10.541 5.629 1.00 0.00 C ATOM 1121 C PRO A 67 -1.889 11.542 4.497 1.00 0.00 C ATOM 1122 O PRO A 67 -1.196 11.251 3.524 1.00 0.00 O ATOM 1123 CB PRO A 67 -1.068 10.742 6.731 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.846 9.378 7.286 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.986 8.434 6.124 1.00 0.00 C ATOM 0 HA PRO A 67 -3.136 10.709 5.954 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.145 11.164 6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.428 11.429 7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.142 9.296 7.739 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.574 9.150 8.065 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.023 8.225 5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.405 7.476 6.432 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.492 12.721 4.634 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.368 13.771 3.617 1.00 0.00 C ATOM 1135 C LEU A 68 -0.905 14.010 3.253 1.00 0.00 C ATOM 1136 O LEU A 68 -0.458 13.641 2.167 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.008 15.095 4.079 1.00 0.00 C ATOM 1138 CG LEU A 68 -3.618 15.108 5.486 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -2.528 15.028 6.545 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -4.462 16.357 5.684 1.00 0.00 C ATOM 0 H LEU A 68 -3.070 12.976 5.435 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.904 13.421 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.249 15.876 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.788 15.363 3.367 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.260 14.234 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.982 15.039 7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.962 14.106 6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.859 15.882 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.889 16.353 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.838 17.242 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.266 16.373 4.948 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.162 14.633 4.163 1.00 0.00 N ATOM 1153 CA LYS A 69 1.250 14.920 3.932 1.00 0.00 C ATOM 1154 C LYS A 69 1.998 13.665 3.492 1.00 0.00 C ATOM 1155 O LYS A 69 2.951 13.735 2.715 1.00 0.00 O ATOM 1156 CB LYS A 69 1.891 15.492 5.198 1.00 0.00 C ATOM 1157 CG LYS A 69 1.656 14.640 6.437 1.00 0.00 C ATOM 1158 CD LYS A 69 0.849 15.387 7.486 1.00 0.00 C ATOM 1159 CE LYS A 69 1.662 16.503 8.124 1.00 0.00 C ATOM 1160 NZ LYS A 69 1.208 16.796 9.512 1.00 0.00 N ATOM 0 H LYS A 69 -0.514 14.949 5.067 1.00 0.00 H new ATOM 0 HA LYS A 69 1.317 15.659 3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.964 15.596 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.497 16.493 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.132 13.726 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.615 14.340 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.047 15.805 7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.518 14.690 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.715 16.223 8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.580 17.405 7.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.787 17.562 9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.210 17.088 9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.310 15.943 10.098 1.00 0.00 H new ATOM 1174 N HIS A 70 1.556 12.516 3.994 1.00 0.00 N ATOM 1175 CA HIS A 70 2.181 11.245 3.654 1.00 0.00 C ATOM 1176 C HIS A 70 1.989 10.921 2.175 1.00 0.00 C ATOM 1177 O HIS A 70 2.872 10.350 1.538 1.00 0.00 O ATOM 1178 CB HIS A 70 1.601 10.122 4.515 1.00 0.00 C ATOM 1179 CG HIS A 70 2.137 10.105 5.914 1.00 0.00 C ATOM 1180 ND1 HIS A 70 2.211 8.960 6.678 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.630 11.102 6.686 1.00 0.00 C ATOM 1182 CE1 HIS A 70 2.725 9.253 7.859 1.00 0.00 C ATOM 1183 NE2 HIS A 70 2.988 10.546 7.890 1.00 0.00 N ATOM 0 H HIS A 70 0.768 12.440 4.637 1.00 0.00 H new ATOM 0 HA HIS A 70 3.250 11.330 3.852 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.517 10.225 4.551 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.814 9.164 4.041 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.724 12.141 6.407 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.900 8.553 8.663 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.391 11.050 8.679 1.00 0.00 H new ATOM 1192 N GLN A 71 0.831 11.293 1.634 1.00 0.00 N ATOM 1193 CA GLN A 71 0.533 11.043 0.228 1.00 0.00 C ATOM 1194 C GLN A 71 1.551 11.736 -0.669 1.00 0.00 C ATOM 1195 O GLN A 71 2.147 11.115 -1.550 1.00 0.00 O ATOM 1196 CB GLN A 71 -0.878 11.529 -0.117 1.00 0.00 C ATOM 1197 CG GLN A 71 -1.950 10.471 0.072 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.180 10.731 -0.776 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -3.645 9.854 -1.503 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -3.715 11.943 -0.685 1.00 0.00 N ATOM 0 H GLN A 71 0.087 11.767 2.146 1.00 0.00 H new ATOM 0 HA GLN A 71 0.589 9.968 0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.118 12.392 0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.893 11.868 -1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.539 9.493 -0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.238 10.434 1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.297 12.640 -0.069 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.544 12.177 -1.231 1.00 0.00 H new ATOM 1209 N VAL A 72 1.747 13.027 -0.432 1.00 0.00 N ATOM 1210 CA VAL A 72 2.694 13.813 -1.211 1.00 0.00 C ATOM 1211 C VAL A 72 4.093 13.210 -1.142 1.00 0.00 C ATOM 1212 O VAL A 72 4.736 12.991 -2.168 1.00 0.00 O ATOM 1213 CB VAL A 72 2.752 15.272 -0.721 1.00 0.00 C ATOM 1214 CG1 VAL A 72 3.587 16.120 -1.667 1.00 0.00 C ATOM 1215 CG2 VAL A 72 1.348 15.844 -0.577 1.00 0.00 C ATOM 0 H VAL A 72 1.261 13.552 0.295 1.00 0.00 H new ATOM 0 HA VAL A 72 2.344 13.799 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 72 3.228 15.288 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.617 17.148 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.601 15.722 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.143 16.099 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.409 16.875 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.843 15.815 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.786 15.251 0.145 1.00 0.00 H new ATOM 1225 N GLU A 73 4.556 12.938 0.075 1.00 0.00 N ATOM 1226 CA GLU A 73 5.877 12.354 0.269 1.00 0.00 C ATOM 1227 C GLU A 73 5.953 10.972 -0.364 1.00 0.00 C ATOM 1228 O GLU A 73 6.963 10.611 -0.963 1.00 0.00 O ATOM 1229 CB GLU A 73 6.211 12.272 1.759 1.00 0.00 C ATOM 1230 CG GLU A 73 7.657 11.894 2.037 1.00 0.00 C ATOM 1231 CD GLU A 73 8.107 12.295 3.429 1.00 0.00 C ATOM 1232 OE1 GLU A 73 7.287 12.202 4.367 1.00 0.00 O ATOM 1233 OE2 GLU A 73 9.278 12.703 3.580 1.00 0.00 O ATOM 0 H GLU A 73 4.038 13.112 0.936 1.00 0.00 H new ATOM 0 HA GLU A 73 6.609 12.997 -0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.000 13.235 2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.555 11.540 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.777 10.817 1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.302 12.371 1.299 1.00 0.00 H new ATOM 1240 N TYR A 74 4.872 10.206 -0.245 1.00 0.00 N ATOM 1241 CA TYR A 74 4.825 8.871 -0.826 1.00 0.00 C ATOM 1242 C TYR A 74 5.169 8.946 -2.307 1.00 0.00 C ATOM 1243 O TYR A 74 5.894 8.104 -2.835 1.00 0.00 O ATOM 1244 CB TYR A 74 3.440 8.249 -0.637 1.00 0.00 C ATOM 1245 CG TYR A 74 3.425 6.747 -0.794 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.368 5.953 -0.154 1.00 0.00 C ATOM 1247 CD2 TYR A 74 2.467 6.120 -1.581 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.358 4.579 -0.294 1.00 0.00 C ATOM 1249 CE2 TYR A 74 2.449 4.746 -1.726 1.00 0.00 C ATOM 1250 CZ TYR A 74 3.397 3.980 -1.080 1.00 0.00 C ATOM 1251 OH TYR A 74 3.384 2.612 -1.222 1.00 0.00 O ATOM 0 H TYR A 74 4.023 10.486 0.246 1.00 0.00 H new ATOM 0 HA TYR A 74 5.555 8.240 -0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.068 8.506 0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.752 8.688 -1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.122 6.418 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.723 6.717 -2.088 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.100 3.977 0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.697 4.275 -2.341 1.00 0.00 H new ATOM 0 HH TYR A 74 3.814 2.367 -2.068 1.00 0.00 H new ATOM 1261 N ASP A 75 4.652 9.978 -2.962 1.00 0.00 N ATOM 1262 CA ASP A 75 4.907 10.195 -4.377 1.00 0.00 C ATOM 1263 C ASP A 75 6.341 10.674 -4.591 1.00 0.00 C ATOM 1264 O ASP A 75 6.955 10.385 -5.618 1.00 0.00 O ATOM 1265 CB ASP A 75 3.922 11.217 -4.947 1.00 0.00 C ATOM 1266 CG ASP A 75 2.689 10.563 -5.537 1.00 0.00 C ATOM 1267 OD1 ASP A 75 1.781 10.197 -4.761 1.00 0.00 O ATOM 1268 OD2 ASP A 75 2.630 10.417 -6.776 1.00 0.00 O ATOM 0 H ASP A 75 4.051 10.680 -2.531 1.00 0.00 H new ATOM 0 HA ASP A 75 4.771 9.249 -4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.622 11.907 -4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.420 11.808 -5.716 1.00 0.00 H new ATOM 1273 N GLN A 76 6.868 11.411 -3.614 1.00 0.00 N ATOM 1274 CA GLN A 76 8.227 11.930 -3.699 1.00 0.00 C ATOM 1275 C GLN A 76 9.248 10.794 -3.685 1.00 0.00 C ATOM 1276 O GLN A 76 10.325 10.909 -4.272 1.00 0.00 O ATOM 1277 CB GLN A 76 8.501 12.891 -2.542 1.00 0.00 C ATOM 1278 CG GLN A 76 8.190 14.343 -2.870 1.00 0.00 C ATOM 1279 CD GLN A 76 9.435 15.208 -2.932 1.00 0.00 C ATOM 1280 OE1 GLN A 76 10.081 15.460 -1.915 1.00 0.00 O ATOM 1281 NE2 GLN A 76 9.775 15.668 -4.130 1.00 0.00 N ATOM 0 H GLN A 76 6.374 11.660 -2.757 1.00 0.00 H new ATOM 0 HA GLN A 76 8.324 12.469 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.908 12.587 -1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.549 12.809 -2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.670 14.392 -3.827 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.511 14.744 -2.118 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.209 15.433 -4.946 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.602 16.256 -4.235 1.00 0.00 H new ATOM 1290 N LEU A 77 8.905 9.702 -3.009 1.00 0.00 N ATOM 1291 CA LEU A 77 9.795 8.551 -2.918 1.00 0.00 C ATOM 1292 C LEU A 77 9.536 7.565 -4.052 1.00 0.00 C ATOM 1293 O LEU A 77 10.470 7.000 -4.623 1.00 0.00 O ATOM 1294 CB LEU A 77 9.621 7.851 -1.569 1.00 0.00 C ATOM 1295 CG LEU A 77 10.201 8.603 -0.370 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.425 8.273 0.895 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.675 8.267 -0.196 1.00 0.00 C ATOM 0 H LEU A 77 8.018 9.590 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 77 10.820 8.912 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.557 7.688 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.090 6.868 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 77 10.110 9.673 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.853 8.818 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.382 8.563 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.483 7.202 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.073 8.810 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.787 7.195 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.222 8.555 -1.094 1.00 0.00 H new ATOM 1309 N THR A 78 8.264 7.363 -4.372 1.00 0.00 N ATOM 1310 CA THR A 78 7.879 6.444 -5.438 1.00 0.00 C ATOM 1311 C THR A 78 8.118 7.071 -6.810 1.00 0.00 C ATOM 1312 O THR A 78 8.246 8.289 -6.930 1.00 0.00 O ATOM 1313 CB THR A 78 6.410 6.048 -5.292 1.00 0.00 C ATOM 1314 OG1 THR A 78 5.594 7.196 -5.132 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.149 5.134 -4.115 1.00 0.00 C ATOM 0 H THR A 78 7.480 7.823 -3.909 1.00 0.00 H new ATOM 0 HA THR A 78 8.498 5.550 -5.355 1.00 0.00 H new ATOM 0 HB THR A 78 6.165 5.512 -6.209 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.520 7.414 -4.180 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.087 4.892 -4.070 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.725 4.216 -4.232 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.446 5.634 -3.193 1.00 0.00 H new