USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 ASN : amide:sc= 0.455 K(o=0.9,f=0.064) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.449 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.24) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.0676 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -169:sc= -0.585 (180deg=-0.813) USER MOD Single : A 34 LYS NZ :NH3+ -126:sc= 0.672 (180deg=-3.58!) USER MOD Single : A 35 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.31) USER MOD Single : A 40 CYS SG : rot -33:sc= -0.184 USER MOD Single : A 41 SER OG : rot -6:sc= 0.492 USER MOD Single : A 43 GLN : amide:sc= 0.955 K(o=0.96,f=-5.3!) USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= 2.28 (180deg=1.51) USER MOD Single : A 52 ASN : amide:sc= 0.0607 X(o=0.061,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -37:sc= -0.572 USER MOD Single : A 57 THR OG1 : rot -130:sc= -0.0499 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0312 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.44 K(o=0.44,f=-6.4!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 27 5.924 15.584 4.795 1.00 0.00 N ATOM 26 CA LYS A 27 4.836 14.836 5.428 1.00 0.00 C ATOM 27 C LYS A 27 5.419 13.501 5.862 1.00 0.00 C ATOM 28 O LYS A 27 6.493 13.086 5.427 1.00 0.00 O ATOM 29 CB LYS A 27 3.664 14.567 4.452 1.00 0.00 C ATOM 30 CG LYS A 27 2.328 15.195 4.877 1.00 0.00 C ATOM 31 CD LYS A 27 1.759 14.684 6.221 1.00 0.00 C ATOM 32 CE LYS A 27 0.559 13.735 6.116 1.00 0.00 C ATOM 33 NZ LYS A 27 -0.731 14.465 6.033 1.00 0.00 N ATOM 0 HA LYS A 27 4.439 15.416 6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.933 14.947 3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.530 13.490 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.457 16.275 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.592 15.009 4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.556 14.174 6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.467 15.545 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.674 13.104 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.545 13.074 6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.504 13.787 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.895 14.981 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.698 15.139 5.242 1.00 0.00 H new ATOM 47 N ARG A 28 4.717 12.830 6.754 1.00 0.00 N ATOM 48 CA ARG A 28 4.883 11.413 7.015 1.00 0.00 C ATOM 49 C ARG A 28 3.529 10.887 7.460 1.00 0.00 C ATOM 50 O ARG A 28 2.737 11.588 8.095 1.00 0.00 O ATOM 51 CB ARG A 28 6.054 11.080 7.933 1.00 0.00 C ATOM 52 CG ARG A 28 5.871 11.466 9.412 1.00 0.00 C ATOM 53 CD ARG A 28 6.557 10.409 10.284 1.00 0.00 C ATOM 54 NE ARG A 28 5.957 9.057 10.124 1.00 0.00 N ATOM 55 CZ ARG A 28 4.709 8.688 10.367 1.00 0.00 C ATOM 56 NH1 ARG A 28 3.832 9.435 10.966 1.00 0.00 N ATOM 57 NH2 ARG A 28 4.253 7.539 9.983 1.00 0.00 N ATOM 0 H ARG A 28 3.998 13.265 7.332 1.00 0.00 H new ATOM 0 HA ARG A 28 5.185 10.890 6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.243 10.008 7.877 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.944 11.581 7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.301 12.449 9.602 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.811 11.529 9.658 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.616 10.365 10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.493 10.709 11.330 1.00 0.00 H new ATOM 0 HE ARG A 28 6.583 8.326 9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.089 10.370 11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.886 9.087 11.121 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.860 6.892 9.480 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.287 7.281 10.184 1.00 0.00 H new ATOM 71 N TYR A 29 3.241 9.685 7.020 1.00 0.00 N ATOM 72 CA TYR A 29 1.946 9.048 7.137 1.00 0.00 C ATOM 73 C TYR A 29 2.173 7.551 7.096 1.00 0.00 C ATOM 74 O TYR A 29 3.234 7.081 6.674 1.00 0.00 O ATOM 75 CB TYR A 29 1.040 9.510 5.973 1.00 0.00 C ATOM 76 CG TYR A 29 1.419 8.932 4.625 1.00 0.00 C ATOM 77 CD1 TYR A 29 1.056 7.601 4.329 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.117 9.701 3.674 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.439 6.998 3.127 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.404 9.128 2.432 1.00 0.00 C ATOM 81 CZ TYR A 29 2.086 7.775 2.150 1.00 0.00 C ATOM 82 OH TYR A 29 2.298 7.226 0.931 1.00 0.00 O ATOM 0 H TYR A 29 3.930 9.098 6.551 1.00 0.00 H new ATOM 0 HA TYR A 29 1.450 9.318 8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.010 9.234 6.198 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.072 10.598 5.912 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.473 7.039 5.043 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.424 10.712 3.900 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.241 5.951 2.952 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.878 9.729 1.670 1.00 0.00 H new ATOM 0 HH TYR A 29 1.590 6.576 0.737 1.00 0.00 H new ATOM 92 N ARG A 30 1.145 6.793 7.437 1.00 0.00 N ATOM 93 CA ARG A 30 1.164 5.351 7.293 1.00 0.00 C ATOM 94 C ARG A 30 -0.232 4.879 6.886 1.00 0.00 C ATOM 95 O ARG A 30 -1.228 5.298 7.479 1.00 0.00 O ATOM 96 CB ARG A 30 1.726 4.805 8.620 1.00 0.00 C ATOM 97 CG ARG A 30 2.606 3.552 8.514 1.00 0.00 C ATOM 98 CD ARG A 30 1.847 2.254 8.269 1.00 0.00 C ATOM 99 NE ARG A 30 1.074 1.859 9.468 1.00 0.00 N ATOM 100 CZ ARG A 30 1.294 0.861 10.298 1.00 0.00 C ATOM 101 NH1 ARG A 30 2.352 0.098 10.222 1.00 0.00 N ATOM 102 NH2 ARG A 30 0.429 0.615 11.238 1.00 0.00 N ATOM 0 H ARG A 30 0.275 7.162 7.821 1.00 0.00 H new ATOM 0 HA ARG A 30 1.807 4.971 6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.308 5.594 9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.889 4.582 9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.322 3.696 7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.182 3.451 9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.173 2.377 7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.548 1.462 8.007 1.00 0.00 H new ATOM 0 HE ARG A 30 0.261 2.438 9.680 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.050 0.265 9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.480 -0.664 10.888 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.407 1.192 11.325 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.587 -0.155 11.888 1.00 0.00 H new ATOM 116 N ILE A 31 -0.314 4.074 5.828 1.00 0.00 N ATOM 117 CA ILE A 31 -1.573 3.492 5.313 1.00 0.00 C ATOM 118 C ILE A 31 -1.587 1.992 5.487 1.00 0.00 C ATOM 119 O ILE A 31 -0.533 1.386 5.468 1.00 0.00 O ATOM 120 CB ILE A 31 -1.863 3.805 3.827 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.789 3.273 2.857 1.00 0.00 C ATOM 122 CG2 ILE A 31 -2.067 5.298 3.611 1.00 0.00 C ATOM 123 CD1 ILE A 31 -1.211 3.284 1.385 1.00 0.00 C ATOM 0 H ILE A 31 0.505 3.796 5.287 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.354 3.967 5.907 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.785 3.272 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.114 3.873 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.532 2.253 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.269 5.489 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.911 5.640 4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.167 5.835 3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.399 2.895 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.095 2.660 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.439 4.305 1.080 1.00 0.00 H new ATOM 135 N THR A 32 -2.786 1.430 5.573 1.00 0.00 N ATOM 136 CA THR A 32 -3.158 0.011 5.519 1.00 0.00 C ATOM 137 C THR A 32 -3.526 -0.327 4.085 1.00 0.00 C ATOM 138 O THR A 32 -4.185 0.459 3.402 1.00 0.00 O ATOM 139 CB THR A 32 -4.363 -0.202 6.440 1.00 0.00 C ATOM 140 OG1 THR A 32 -3.971 0.015 7.774 1.00 0.00 O ATOM 141 CG2 THR A 32 -4.941 -1.616 6.390 1.00 0.00 C ATOM 0 H THR A 32 -3.613 2.014 5.695 1.00 0.00 H new ATOM 0 HA THR A 32 -2.337 -0.629 5.843 1.00 0.00 H new ATOM 0 HB THR A 32 -5.124 0.497 6.093 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.740 -0.119 8.367 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.791 -1.686 7.069 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.269 -1.839 5.375 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.176 -2.332 6.690 1.00 0.00 H new ATOM 149 N MET A 33 -3.104 -1.520 3.668 1.00 0.00 N ATOM 150 CA MET A 33 -3.504 -2.171 2.431 1.00 0.00 C ATOM 151 C MET A 33 -3.786 -3.629 2.746 1.00 0.00 C ATOM 152 O MET A 33 -2.908 -4.406 3.132 1.00 0.00 O ATOM 153 CB MET A 33 -2.470 -2.008 1.313 1.00 0.00 C ATOM 154 CG MET A 33 -2.102 -0.539 1.086 1.00 0.00 C ATOM 155 SD MET A 33 -1.341 -0.029 -0.478 1.00 0.00 S ATOM 156 CE MET A 33 -0.818 -1.614 -1.172 1.00 0.00 C ATOM 0 H MET A 33 -2.446 -2.080 4.210 1.00 0.00 H new ATOM 0 HA MET A 33 -4.404 -1.693 2.044 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.572 -2.573 1.564 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.865 -2.430 0.389 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.013 0.047 1.210 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.424 -0.247 1.888 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.168 -1.439 -2.029 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.276 -2.181 -0.415 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.694 -2.179 -1.490 1.00 0.00 H new ATOM 166 N LYS A 34 -5.066 -3.960 2.639 1.00 0.00 N ATOM 167 CA LYS A 34 -5.656 -5.125 3.274 1.00 0.00 C ATOM 168 C LYS A 34 -6.985 -5.470 2.672 1.00 0.00 C ATOM 169 O LYS A 34 -7.666 -4.571 2.187 1.00 0.00 O ATOM 170 CB LYS A 34 -5.987 -4.518 4.646 1.00 0.00 C ATOM 171 CG LYS A 34 -7.022 -5.083 5.603 1.00 0.00 C ATOM 172 CD LYS A 34 -8.451 -4.514 5.390 1.00 0.00 C ATOM 173 CE LYS A 34 -8.561 -3.014 5.741 1.00 0.00 C ATOM 174 NZ LYS A 34 -8.505 -2.144 4.538 1.00 0.00 N ATOM 0 H LYS A 34 -5.735 -3.413 2.097 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.020 -6.009 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.048 -4.487 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.280 -3.485 4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.053 -6.167 5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.708 -4.877 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.743 -4.661 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.156 -5.077 6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.496 -2.836 6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.753 -2.743 6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.756 -1.433 4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.300 -2.724 3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.420 -1.666 4.413 1.00 0.00 H new ATOM 188 N ASN A 35 -7.398 -6.712 2.839 1.00 0.00 N ATOM 189 CA ASN A 35 -8.778 -7.152 2.681 1.00 0.00 C ATOM 190 C ASN A 35 -8.834 -8.687 2.899 1.00 0.00 C ATOM 191 O ASN A 35 -7.866 -9.381 2.591 1.00 0.00 O ATOM 192 CB ASN A 35 -9.383 -6.656 1.356 1.00 0.00 C ATOM 193 CG ASN A 35 -10.601 -7.416 0.886 1.00 0.00 C ATOM 194 OD1 ASN A 35 -11.627 -7.472 1.545 1.00 0.00 O ATOM 195 ND2 ASN A 35 -10.503 -8.039 -0.256 1.00 0.00 N ATOM 0 H ASN A 35 -6.765 -7.469 3.097 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.419 -6.700 3.438 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.650 -5.605 1.467 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.618 -6.711 0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.290 -8.582 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.639 -7.983 -0.795 1.00 0.00 H new ATOM 257 N CYS A 40 -0.970 -11.321 1.184 1.00 0.00 N ATOM 258 CA CYS A 40 0.172 -10.705 0.495 1.00 0.00 C ATOM 259 C CYS A 40 1.572 -10.949 1.131 1.00 0.00 C ATOM 260 O CYS A 40 1.785 -11.875 1.917 1.00 0.00 O ATOM 261 CB CYS A 40 -0.153 -9.222 0.212 1.00 0.00 C ATOM 262 SG CYS A 40 -0.114 -8.226 1.732 1.00 0.00 S ATOM 0 HA CYS A 40 0.293 -11.230 -0.453 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.565 -8.822 -0.504 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.138 -9.146 -0.248 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.515 -8.949 2.735 1.00 0.00 H new ATOM 268 N SER A 41 2.561 -10.142 0.730 1.00 0.00 N ATOM 269 CA SER A 41 3.915 -10.007 1.306 1.00 0.00 C ATOM 270 C SER A 41 4.483 -8.645 0.876 1.00 0.00 C ATOM 271 O SER A 41 3.924 -8.038 -0.044 1.00 0.00 O ATOM 272 CB SER A 41 4.871 -11.101 0.807 1.00 0.00 C ATOM 273 OG SER A 41 4.343 -12.411 0.933 1.00 0.00 O ATOM 0 H SER A 41 2.432 -9.517 -0.065 1.00 0.00 H new ATOM 0 HA SER A 41 3.833 -10.097 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.111 -10.913 -0.239 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.805 -11.039 1.365 1.00 0.00 H new ATOM 0 HG SER A 41 3.488 -12.375 1.410 1.00 0.00 H new ATOM 279 N TRP A 42 5.587 -8.141 1.449 1.00 0.00 N ATOM 280 CA TRP A 42 6.120 -6.844 0.990 1.00 0.00 C ATOM 281 C TRP A 42 6.522 -6.879 -0.470 1.00 0.00 C ATOM 282 O TRP A 42 6.112 -6.013 -1.236 1.00 0.00 O ATOM 283 CB TRP A 42 7.263 -6.266 1.833 1.00 0.00 C ATOM 284 CG TRP A 42 7.769 -4.920 1.364 1.00 0.00 C ATOM 285 CD1 TRP A 42 9.068 -4.539 1.351 1.00 0.00 C ATOM 286 CD2 TRP A 42 7.042 -3.816 0.715 1.00 0.00 C ATOM 287 NE1 TRP A 42 9.199 -3.313 0.724 1.00 0.00 N ATOM 288 CE2 TRP A 42 7.988 -2.846 0.260 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.688 -3.564 0.396 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.618 -1.736 -0.523 1.00 0.00 C ATOM 291 CZ3 TRP A 42 5.307 -2.471 -0.390 1.00 0.00 C ATOM 292 CH2 TRP A 42 6.261 -1.555 -0.852 1.00 0.00 C ATOM 0 H TRP A 42 6.112 -8.588 2.201 1.00 0.00 H new ATOM 0 HA TRP A 42 5.279 -6.164 1.123 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.926 -6.174 2.865 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.093 -6.973 1.831 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.884 -5.110 1.770 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.083 -2.816 0.618 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.927 -4.233 0.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.364 -1.034 -0.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.266 -2.332 -0.643 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.957 -0.714 -1.458 1.00 0.00 H new ATOM 303 N GLN A 43 7.224 -7.919 -0.912 1.00 0.00 N ATOM 304 CA GLN A 43 7.601 -8.049 -2.310 1.00 0.00 C ATOM 305 C GLN A 43 6.397 -8.040 -3.273 1.00 0.00 C ATOM 306 O GLN A 43 6.474 -7.470 -4.368 1.00 0.00 O ATOM 307 CB GLN A 43 8.531 -9.265 -2.511 1.00 0.00 C ATOM 308 CG GLN A 43 7.941 -10.660 -2.194 1.00 0.00 C ATOM 309 CD GLN A 43 7.977 -11.097 -0.727 1.00 0.00 C ATOM 310 OE1 GLN A 43 8.108 -10.316 0.203 1.00 0.00 O ATOM 311 NE2 GLN A 43 7.831 -12.375 -0.456 1.00 0.00 N ATOM 0 H GLN A 43 7.542 -8.684 -0.318 1.00 0.00 H new ATOM 0 HA GLN A 43 8.166 -7.156 -2.577 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.867 -9.267 -3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.415 -9.122 -1.890 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.904 -10.677 -2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.480 -11.401 -2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.720 -13.048 -1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.829 -12.694 0.513 1.00 0.00 H new ATOM 320 N ASP A 44 5.255 -8.574 -2.836 1.00 0.00 N ATOM 321 CA ASP A 44 3.997 -8.633 -3.583 1.00 0.00 C ATOM 322 C ASP A 44 3.440 -7.227 -3.745 1.00 0.00 C ATOM 323 O ASP A 44 3.120 -6.761 -4.846 1.00 0.00 O ATOM 324 CB ASP A 44 2.981 -9.447 -2.749 1.00 0.00 C ATOM 325 CG ASP A 44 2.230 -10.561 -3.496 1.00 0.00 C ATOM 326 OD1 ASP A 44 2.643 -11.003 -4.585 1.00 0.00 O ATOM 327 OD2 ASP A 44 1.175 -10.993 -2.977 1.00 0.00 O ATOM 0 H ASP A 44 5.178 -8.996 -1.911 1.00 0.00 H new ATOM 0 HA ASP A 44 4.167 -9.087 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.509 -9.894 -1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.246 -8.757 -2.334 1.00 0.00 H new ATOM 332 N LEU A 45 3.333 -6.563 -2.600 1.00 0.00 N ATOM 333 CA LEU A 45 2.681 -5.294 -2.496 1.00 0.00 C ATOM 334 C LEU A 45 3.509 -4.206 -3.171 1.00 0.00 C ATOM 335 O LEU A 45 2.948 -3.355 -3.849 1.00 0.00 O ATOM 336 CB LEU A 45 2.476 -4.966 -1.020 1.00 0.00 C ATOM 337 CG LEU A 45 1.245 -5.605 -0.366 1.00 0.00 C ATOM 338 CD1 LEU A 45 1.130 -4.998 1.022 1.00 0.00 C ATOM 339 CD2 LEU A 45 -0.071 -5.329 -1.098 1.00 0.00 C ATOM 0 H LEU A 45 3.706 -6.908 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 45 1.716 -5.340 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.363 -5.281 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.402 -3.884 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 45 1.389 -6.685 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.265 -5.421 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.033 -5.219 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.010 -3.918 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.890 -5.817 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.250 -4.254 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.011 -5.719 -2.114 1.00 0.00 H new ATOM 351 N LYS A 46 4.837 -4.278 -3.020 1.00 0.00 N ATOM 352 CA LYS A 46 5.832 -3.464 -3.710 1.00 0.00 C ATOM 353 C LYS A 46 5.678 -3.608 -5.201 1.00 0.00 C ATOM 354 O LYS A 46 5.636 -2.596 -5.903 1.00 0.00 O ATOM 355 CB LYS A 46 7.244 -3.907 -3.280 1.00 0.00 C ATOM 356 CG LYS A 46 8.418 -3.124 -3.897 1.00 0.00 C ATOM 357 CD LYS A 46 8.225 -1.598 -3.938 1.00 0.00 C ATOM 358 CE LYS A 46 9.568 -0.873 -3.792 1.00 0.00 C ATOM 359 NZ LYS A 46 9.433 0.596 -3.920 1.00 0.00 N ATOM 0 H LYS A 46 5.265 -4.944 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 46 5.685 -2.417 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.312 -3.829 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.364 -4.961 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.322 -3.347 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.582 -3.483 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.753 -1.312 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.552 -1.291 -3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.003 -1.112 -2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.260 -1.239 -4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.225 1.061 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.443 0.859 -4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.536 0.901 -3.491 1.00 0.00 H new ATOM 373 N ASP A 47 5.558 -4.851 -5.684 1.00 0.00 N ATOM 374 CA ASP A 47 5.330 -5.088 -7.093 1.00 0.00 C ATOM 375 C ASP A 47 4.111 -4.326 -7.575 1.00 0.00 C ATOM 376 O ASP A 47 4.284 -3.350 -8.306 1.00 0.00 O ATOM 377 CB ASP A 47 5.233 -6.591 -7.425 1.00 0.00 C ATOM 378 CG ASP A 47 5.983 -6.954 -8.715 1.00 0.00 C ATOM 379 OD1 ASP A 47 7.176 -6.583 -8.817 1.00 0.00 O ATOM 380 OD2 ASP A 47 5.397 -7.604 -9.609 1.00 0.00 O ATOM 0 H ASP A 47 5.616 -5.695 -5.115 1.00 0.00 H new ATOM 0 HA ASP A 47 6.199 -4.711 -7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.639 -7.171 -6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.185 -6.871 -7.526 1.00 0.00 H new ATOM 385 N LEU A 48 2.923 -4.681 -7.067 1.00 0.00 N ATOM 386 CA LEU A 48 1.686 -4.024 -7.484 1.00 0.00 C ATOM 387 C LEU A 48 1.818 -2.503 -7.359 1.00 0.00 C ATOM 388 O LEU A 48 1.456 -1.766 -8.272 1.00 0.00 O ATOM 389 CB LEU A 48 0.458 -4.604 -6.739 1.00 0.00 C ATOM 390 CG LEU A 48 -0.885 -3.887 -7.034 1.00 0.00 C ATOM 391 CD1 LEU A 48 -2.104 -4.644 -6.514 1.00 0.00 C ATOM 392 CD2 LEU A 48 -0.983 -2.537 -6.353 1.00 0.00 C ATOM 0 H LEU A 48 2.797 -5.416 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 48 1.512 -4.234 -8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.356 -5.657 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.648 -4.560 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.888 -3.812 -8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.009 -4.086 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.149 -5.627 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.026 -4.760 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.942 -2.078 -6.592 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.902 -2.667 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.175 -1.894 -6.702 1.00 0.00 H new ATOM 404 N ALA A 49 2.340 -1.998 -6.249 1.00 0.00 N ATOM 405 CA ALA A 49 2.447 -0.570 -6.030 1.00 0.00 C ATOM 406 C ALA A 49 3.262 0.162 -7.107 1.00 0.00 C ATOM 407 O ALA A 49 2.862 1.239 -7.564 1.00 0.00 O ATOM 408 CB ALA A 49 3.046 -0.382 -4.650 1.00 0.00 C ATOM 0 H ALA A 49 2.698 -2.567 -5.482 1.00 0.00 H new ATOM 0 HA ALA A 49 1.456 -0.122 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.146 0.683 -4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.395 -0.840 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.028 -0.854 -4.612 1.00 0.00 H new ATOM 414 N ARG A 50 4.359 -0.429 -7.581 1.00 0.00 N ATOM 415 CA ARG A 50 5.117 0.154 -8.708 1.00 0.00 C ATOM 416 C ARG A 50 4.292 0.105 -9.982 1.00 0.00 C ATOM 417 O ARG A 50 4.249 1.075 -10.740 1.00 0.00 O ATOM 418 CB ARG A 50 6.381 -0.651 -8.929 1.00 0.00 C ATOM 419 CG ARG A 50 7.329 -0.594 -7.735 1.00 0.00 C ATOM 420 CD ARG A 50 8.388 -1.705 -7.655 1.00 0.00 C ATOM 421 NE ARG A 50 8.091 -2.975 -8.379 1.00 0.00 N ATOM 422 CZ ARG A 50 8.060 -3.159 -9.700 1.00 0.00 C ATOM 423 NH1 ARG A 50 8.482 -2.270 -10.549 1.00 0.00 N ATOM 424 NH2 ARG A 50 7.552 -4.234 -10.216 1.00 0.00 N ATOM 0 H ARG A 50 4.745 -1.299 -7.214 1.00 0.00 H new ATOM 0 HA ARG A 50 5.357 1.190 -8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.116 -1.689 -9.128 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.895 -0.277 -9.815 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.842 0.368 -7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.733 -0.623 -6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.327 -1.307 -8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.550 -1.944 -6.604 1.00 0.00 H new ATOM 0 HE ARG A 50 7.890 -3.791 -7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.858 -1.383 -10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.437 -2.459 -11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.167 -4.958 -9.609 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.538 -4.356 -11.229 1.00 0.00 H new ATOM 438 N GLU A 51 3.580 -1.009 -10.164 1.00 0.00 N ATOM 439 CA GLU A 51 2.540 -1.151 -11.201 1.00 0.00 C ATOM 440 C GLU A 51 1.460 -0.067 -11.215 1.00 0.00 C ATOM 441 O GLU A 51 0.885 0.254 -12.260 1.00 0.00 O ATOM 442 CB GLU A 51 1.834 -2.510 -11.189 1.00 0.00 C ATOM 443 CG GLU A 51 2.806 -3.700 -11.221 1.00 0.00 C ATOM 444 CD GLU A 51 3.940 -3.614 -12.281 1.00 0.00 C ATOM 445 OE1 GLU A 51 3.621 -3.385 -13.480 1.00 0.00 O ATOM 446 OE2 GLU A 51 5.143 -3.779 -11.956 1.00 0.00 O ATOM 0 H GLU A 51 3.705 -1.847 -9.596 1.00 0.00 H new ATOM 0 HA GLU A 51 3.137 -1.044 -12.107 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.213 -2.581 -10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.166 -2.572 -12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.261 -3.801 -10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.233 -4.609 -11.402 1.00 0.00 H new ATOM 453 N ASN A 52 1.200 0.496 -10.042 1.00 0.00 N ATOM 454 CA ASN A 52 0.052 1.345 -9.769 1.00 0.00 C ATOM 455 C ASN A 52 0.372 2.836 -9.516 1.00 0.00 C ATOM 456 O ASN A 52 -0.552 3.653 -9.478 1.00 0.00 O ATOM 457 CB ASN A 52 -0.631 0.665 -8.586 1.00 0.00 C ATOM 458 CG ASN A 52 -1.722 -0.290 -9.024 1.00 0.00 C ATOM 459 OD1 ASN A 52 -2.900 0.030 -9.057 1.00 0.00 O ATOM 460 ND2 ASN A 52 -1.351 -1.496 -9.366 1.00 0.00 N ATOM 0 H ASN A 52 1.803 0.369 -9.229 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.590 1.421 -10.647 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.113 0.121 -8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.057 1.424 -7.930 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.048 -2.179 -9.664 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.365 -1.754 -9.335 1.00 0.00 H new ATOM 467 N SER A 53 1.658 3.178 -9.346 1.00 0.00 N ATOM 468 CA SER A 53 2.258 4.532 -9.246 1.00 0.00 C ATOM 469 C SER A 53 2.541 4.938 -7.792 1.00 0.00 C ATOM 470 O SER A 53 2.881 6.089 -7.507 1.00 0.00 O ATOM 471 CB SER A 53 1.464 5.650 -9.949 1.00 0.00 C ATOM 472 OG SER A 53 1.167 5.324 -11.312 1.00 0.00 O ATOM 0 H SER A 53 2.374 2.456 -9.267 1.00 0.00 H new ATOM 0 HA SER A 53 3.199 4.433 -9.787 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.534 5.829 -9.409 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.036 6.577 -9.915 1.00 0.00 H new ATOM 0 HG SER A 53 0.662 6.057 -11.721 1.00 0.00 H new ATOM 478 N LEU A 54 2.392 3.993 -6.860 1.00 0.00 N ATOM 479 CA LEU A 54 2.631 4.165 -5.422 1.00 0.00 C ATOM 480 C LEU A 54 4.117 4.334 -5.131 1.00 0.00 C ATOM 481 O LEU A 54 4.507 5.321 -4.521 1.00 0.00 O ATOM 482 CB LEU A 54 2.149 2.895 -4.685 1.00 0.00 C ATOM 483 CG LEU A 54 0.817 2.879 -3.947 1.00 0.00 C ATOM 484 CD1 LEU A 54 1.019 3.139 -2.450 1.00 0.00 C ATOM 485 CD2 LEU A 54 -0.197 3.827 -4.567 1.00 0.00 C ATOM 0 H LEU A 54 2.089 3.048 -7.095 1.00 0.00 H new ATOM 0 HA LEU A 54 2.094 5.053 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.117 2.091 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.920 2.634 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 54 0.395 1.880 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.054 3.123 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.662 2.365 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.486 4.114 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.130 3.780 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.192 4.845 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.381 3.537 -5.602 1.00 0.00 H new ATOM 497 N GLU A 55 4.938 3.377 -5.579 1.00 0.00 N ATOM 498 CA GLU A 55 6.336 3.152 -5.243 1.00 0.00 C ATOM 499 C GLU A 55 6.652 3.008 -3.743 1.00 0.00 C ATOM 500 O GLU A 55 7.086 1.956 -3.267 1.00 0.00 O ATOM 501 CB GLU A 55 7.134 4.200 -6.023 1.00 0.00 C ATOM 502 CG GLU A 55 8.551 4.421 -5.540 1.00 0.00 C ATOM 503 CD GLU A 55 9.535 3.248 -5.759 1.00 0.00 C ATOM 504 OE1 GLU A 55 9.079 2.140 -6.142 1.00 0.00 O ATOM 505 OE2 GLU A 55 10.756 3.419 -5.518 1.00 0.00 O ATOM 0 H GLU A 55 4.604 2.681 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 55 6.649 2.156 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.167 3.903 -7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.599 5.149 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.951 5.302 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.519 4.648 -4.474 1.00 0.00 H new ATOM 512 N THR A 56 6.346 4.065 -3.020 1.00 0.00 N ATOM 513 CA THR A 56 6.577 4.366 -1.600 1.00 0.00 C ATOM 514 C THR A 56 8.032 4.165 -1.122 1.00 0.00 C ATOM 515 O THR A 56 8.925 3.803 -1.893 1.00 0.00 O ATOM 516 CB THR A 56 5.601 3.602 -0.681 1.00 0.00 C ATOM 517 OG1 THR A 56 6.074 2.288 -0.479 1.00 0.00 O ATOM 518 CG2 THR A 56 4.178 3.496 -1.223 1.00 0.00 C ATOM 0 H THR A 56 5.863 4.846 -3.465 1.00 0.00 H new ATOM 0 HA THR A 56 6.381 5.435 -1.521 1.00 0.00 H new ATOM 0 HB THR A 56 5.560 4.180 0.242 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.485 1.958 -1.305 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.559 2.945 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.766 4.496 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.191 2.972 -2.179 1.00 0.00 H new ATOM 526 N THR A 57 8.292 4.399 0.163 1.00 0.00 N ATOM 527 CA THR A 57 9.587 4.119 0.798 1.00 0.00 C ATOM 528 C THR A 57 9.661 2.670 1.261 1.00 0.00 C ATOM 529 O THR A 57 10.689 2.008 1.104 1.00 0.00 O ATOM 530 CB THR A 57 9.785 5.002 2.041 1.00 0.00 C ATOM 531 OG1 THR A 57 9.469 6.345 1.754 1.00 0.00 O ATOM 532 CG2 THR A 57 11.221 5.000 2.567 1.00 0.00 C ATOM 0 H THR A 57 7.603 4.793 0.804 1.00 0.00 H new ATOM 0 HA THR A 57 10.357 4.323 0.054 1.00 0.00 H new ATOM 0 HB THR A 57 9.123 4.576 2.795 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.198 6.925 2.058 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.288 5.643 3.444 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.507 3.984 2.839 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.893 5.371 1.793 1.00 0.00 H new ATOM 540 N PHE A 58 8.572 2.188 1.872 1.00 0.00 N ATOM 541 CA PHE A 58 8.534 0.936 2.617 1.00 0.00 C ATOM 542 C PHE A 58 7.112 0.571 3.044 1.00 0.00 C ATOM 543 O PHE A 58 6.232 1.433 3.067 1.00 0.00 O ATOM 544 CB PHE A 58 9.416 1.125 3.875 1.00 0.00 C ATOM 545 CG PHE A 58 8.772 1.055 5.245 1.00 0.00 C ATOM 546 CD1 PHE A 58 8.214 2.218 5.802 1.00 0.00 C ATOM 547 CD2 PHE A 58 8.746 -0.151 5.975 1.00 0.00 C ATOM 548 CE1 PHE A 58 7.606 2.174 7.069 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.134 -0.198 7.244 1.00 0.00 C ATOM 550 CZ PHE A 58 7.562 0.964 7.792 1.00 0.00 C ATOM 0 H PHE A 58 7.675 2.673 1.858 1.00 0.00 H new ATOM 0 HA PHE A 58 8.898 0.127 1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.201 0.369 3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.904 2.096 3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.252 3.149 5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.196 -1.041 5.561 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.172 3.069 7.490 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.104 -1.126 7.795 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.091 0.930 8.763 1.00 0.00 H new ATOM 560 N SER A 59 6.935 -0.680 3.472 1.00 0.00 N ATOM 561 CA SER A 59 5.734 -1.160 4.146 1.00 0.00 C ATOM 562 C SER A 59 6.055 -2.226 5.193 1.00 0.00 C ATOM 563 O SER A 59 6.961 -3.047 5.032 1.00 0.00 O ATOM 564 CB SER A 59 4.781 -1.752 3.125 1.00 0.00 C ATOM 565 OG SER A 59 3.700 -2.437 3.721 1.00 0.00 O ATOM 0 H SER A 59 7.644 -1.404 3.355 1.00 0.00 H new ATOM 0 HA SER A 59 5.279 -0.308 4.651 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.395 -0.955 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.328 -2.438 2.478 1.00 0.00 H new ATOM 0 HG SER A 59 3.116 -2.797 3.022 1.00 0.00 H new ATOM 571 N SER A 60 5.259 -2.230 6.264 1.00 0.00 N ATOM 572 CA SER A 60 5.190 -3.291 7.267 1.00 0.00 C ATOM 573 C SER A 60 4.295 -4.420 6.729 1.00 0.00 C ATOM 574 O SER A 60 3.088 -4.221 6.601 1.00 0.00 O ATOM 575 CB SER A 60 4.581 -2.719 8.549 1.00 0.00 C ATOM 576 OG SER A 60 5.437 -1.739 9.128 1.00 0.00 O ATOM 0 H SER A 60 4.619 -1.461 6.463 1.00 0.00 H new ATOM 0 HA SER A 60 6.186 -3.681 7.479 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.611 -2.274 8.328 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.408 -3.523 9.264 1.00 0.00 H new ATOM 0 HG SER A 60 5.026 -1.387 9.945 1.00 0.00 H new ATOM 582 N VAL A 61 4.866 -5.583 6.396 1.00 0.00 N ATOM 583 CA VAL A 61 4.149 -6.799 5.921 1.00 0.00 C ATOM 584 C VAL A 61 4.797 -8.051 6.519 1.00 0.00 C ATOM 585 O VAL A 61 5.867 -7.972 7.122 1.00 0.00 O ATOM 586 CB VAL A 61 4.095 -6.940 4.379 1.00 0.00 C ATOM 587 CG1 VAL A 61 2.833 -7.690 3.898 1.00 0.00 C ATOM 588 CG2 VAL A 61 4.101 -5.602 3.637 1.00 0.00 C ATOM 0 H VAL A 61 5.875 -5.721 6.447 1.00 0.00 H new ATOM 0 HA VAL A 61 3.119 -6.690 6.260 1.00 0.00 H new ATOM 0 HB VAL A 61 5.001 -7.499 4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.845 -7.761 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.819 -8.692 4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.943 -7.147 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.062 -5.782 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.234 -5.015 3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.012 -5.055 3.880 1.00 0.00 H new ATOM 701 N THR A 69 -1.796 -8.207 6.205 1.00 0.00 N ATOM 702 CA THR A 69 -1.980 -6.897 5.580 1.00 0.00 C ATOM 703 C THR A 69 -0.609 -6.261 5.408 1.00 0.00 C ATOM 704 O THR A 69 0.348 -6.622 6.102 1.00 0.00 O ATOM 705 CB THR A 69 -2.837 -5.948 6.437 1.00 0.00 C ATOM 706 OG1 THR A 69 -2.151 -5.556 7.613 1.00 0.00 O ATOM 707 CG2 THR A 69 -4.171 -6.563 6.850 1.00 0.00 C ATOM 0 HA THR A 69 -2.493 -7.049 4.630 1.00 0.00 H new ATOM 0 HB THR A 69 -3.031 -5.083 5.803 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.718 -4.953 8.137 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.731 -5.847 7.452 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.746 -6.816 5.959 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.990 -7.465 7.434 1.00 0.00 H new ATOM 715 N GLY A 70 -0.518 -5.303 4.492 1.00 0.00 N ATOM 716 CA GLY A 70 0.629 -4.418 4.412 1.00 0.00 C ATOM 717 C GLY A 70 0.269 -3.058 4.969 1.00 0.00 C ATOM 718 O GLY A 70 -0.903 -2.669 4.982 1.00 0.00 O ATOM 0 H GLY A 70 -1.235 -5.122 3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.465 -4.840 4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.954 -4.322 3.376 1.00 0.00 H new ATOM 722 N ALA A 71 1.279 -2.319 5.420 1.00 0.00 N ATOM 723 CA ALA A 71 1.088 -0.952 5.856 1.00 0.00 C ATOM 724 C ALA A 71 2.276 -0.045 5.473 1.00 0.00 C ATOM 725 O ALA A 71 3.342 -0.102 6.095 1.00 0.00 O ATOM 726 CB ALA A 71 0.733 -0.960 7.342 1.00 0.00 C ATOM 0 H ALA A 71 2.240 -2.652 5.491 1.00 0.00 H new ATOM 0 HA ALA A 71 0.250 -0.499 5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.586 0.064 7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.184 -1.529 7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.544 -1.420 7.907 1.00 0.00 H new ATOM 732 N LEU A 72 2.080 0.764 4.431 1.00 0.00 N ATOM 733 CA LEU A 72 3.087 1.558 3.720 1.00 0.00 C ATOM 734 C LEU A 72 3.355 2.904 4.420 1.00 0.00 C ATOM 735 O LEU A 72 2.490 3.393 5.143 1.00 0.00 O ATOM 736 CB LEU A 72 2.557 1.911 2.328 1.00 0.00 C ATOM 737 CG LEU A 72 2.379 0.831 1.252 1.00 0.00 C ATOM 738 CD1 LEU A 72 3.711 0.426 0.626 1.00 0.00 C ATOM 739 CD2 LEU A 72 1.568 -0.389 1.677 1.00 0.00 C ATOM 0 H LEU A 72 1.150 0.892 4.033 1.00 0.00 H new ATOM 0 HA LEU A 72 3.998 0.961 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.586 2.386 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.225 2.667 1.914 1.00 0.00 H new ATOM 0 HG LEU A 72 1.768 1.315 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.540 -0.340 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.175 1.297 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.371 0.032 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.502 -1.090 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.056 -0.874 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.565 -0.076 1.968 1.00 0.00 H new ATOM 751 N GLU A 73 4.463 3.570 4.081 1.00 0.00 N ATOM 752 CA GLU A 73 4.756 4.975 4.473 1.00 0.00 C ATOM 753 C GLU A 73 5.455 5.775 3.337 1.00 0.00 C ATOM 754 O GLU A 73 6.196 5.193 2.540 1.00 0.00 O ATOM 755 CB GLU A 73 5.614 4.957 5.758 1.00 0.00 C ATOM 756 CG GLU A 73 6.205 6.315 6.197 1.00 0.00 C ATOM 757 CD GLU A 73 6.451 6.472 7.724 1.00 0.00 C ATOM 758 OE1 GLU A 73 5.848 5.755 8.555 1.00 0.00 O ATOM 759 OE2 GLU A 73 7.206 7.388 8.125 1.00 0.00 O ATOM 0 H GLU A 73 5.202 3.151 3.517 1.00 0.00 H new ATOM 0 HA GLU A 73 3.814 5.490 4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.004 4.568 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.436 4.256 5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.151 6.466 5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.532 7.108 5.871 1.00 0.00 H new ATOM 766 N PHE A 74 5.269 7.111 3.285 1.00 0.00 N ATOM 767 CA PHE A 74 6.048 8.018 2.424 1.00 0.00 C ATOM 768 C PHE A 74 6.307 9.431 3.010 1.00 0.00 C ATOM 769 O PHE A 74 5.460 9.950 3.742 1.00 0.00 O ATOM 770 CB PHE A 74 5.354 8.243 1.059 1.00 0.00 C ATOM 771 CG PHE A 74 6.348 8.537 -0.045 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.307 7.575 -0.386 1.00 0.00 C ATOM 773 CD2 PHE A 74 6.423 9.811 -0.642 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.323 7.857 -1.319 1.00 0.00 C ATOM 775 CE2 PHE A 74 7.445 10.112 -1.562 1.00 0.00 C ATOM 776 CZ PHE A 74 8.394 9.133 -1.908 1.00 0.00 C ATOM 0 H PHE A 74 4.566 7.592 3.846 1.00 0.00 H new ATOM 0 HA PHE A 74 7.002 7.499 2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.774 7.358 0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.651 9.071 1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.266 6.599 0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.690 10.563 -0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.045 7.097 -1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.501 11.096 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.173 9.359 -2.621 1.00 0.00 H new ATOM 786 N PRO A 75 7.414 10.106 2.622 1.00 0.00 N ATOM 787 CA PRO A 75 7.696 11.530 2.862 1.00 0.00 C ATOM 788 C PRO A 75 6.678 12.582 2.367 1.00 0.00 C ATOM 789 O PRO A 75 6.868 13.763 2.665 1.00 0.00 O ATOM 790 CB PRO A 75 9.053 11.784 2.193 1.00 0.00 C ATOM 791 CG PRO A 75 9.775 10.459 2.382 1.00 0.00 C ATOM 792 CD PRO A 75 8.646 9.457 2.177 1.00 0.00 C ATOM 0 HA PRO A 75 7.656 11.673 3.942 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.943 12.038 1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.589 12.608 2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.578 10.324 1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.222 10.374 3.373 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.573 9.167 1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.830 8.546 2.747 1.00 0.00 H new ATOM 800 N SER A 76 5.628 12.215 1.615 1.00 0.00 N ATOM 801 CA SER A 76 4.629 13.159 1.075 1.00 0.00 C ATOM 802 C SER A 76 3.243 12.536 0.982 1.00 0.00 C ATOM 803 O SER A 76 3.078 11.520 0.312 1.00 0.00 O ATOM 804 CB SER A 76 4.946 13.556 -0.362 1.00 0.00 C ATOM 805 OG SER A 76 6.221 14.173 -0.521 1.00 0.00 O ATOM 0 H SER A 76 5.444 11.244 1.361 1.00 0.00 H new ATOM 0 HA SER A 76 4.657 14.006 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.901 12.668 -0.993 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.175 14.239 -0.719 1.00 0.00 H new ATOM 0 HG SER A 76 6.359 14.400 -1.464 1.00 0.00 H new ATOM 811 N GLU A 77 2.222 13.202 1.530 1.00 0.00 N ATOM 812 CA GLU A 77 0.816 12.777 1.408 1.00 0.00 C ATOM 813 C GLU A 77 0.325 12.588 -0.036 1.00 0.00 C ATOM 814 O GLU A 77 -0.680 11.921 -0.256 1.00 0.00 O ATOM 815 CB GLU A 77 -0.129 13.718 2.163 1.00 0.00 C ATOM 816 CG GLU A 77 -0.059 15.176 1.677 1.00 0.00 C ATOM 817 CD GLU A 77 -1.001 16.092 2.490 1.00 0.00 C ATOM 818 OE1 GLU A 77 -1.074 15.948 3.733 1.00 0.00 O ATOM 819 OE2 GLU A 77 -1.672 16.967 1.889 1.00 0.00 O ATOM 0 H GLU A 77 2.344 14.056 2.074 1.00 0.00 H new ATOM 0 HA GLU A 77 0.793 11.790 1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.152 13.356 2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.111 13.685 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.965 15.540 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.328 15.222 0.622 1.00 0.00 H new ATOM 826 N GLU A 78 1.049 13.118 -1.023 1.00 0.00 N ATOM 827 CA GLU A 78 0.850 12.833 -2.448 1.00 0.00 C ATOM 828 C GLU A 78 0.652 11.326 -2.696 1.00 0.00 C ATOM 829 O GLU A 78 -0.361 10.919 -3.264 1.00 0.00 O ATOM 830 CB GLU A 78 2.078 13.330 -3.233 1.00 0.00 C ATOM 831 CG GLU A 78 2.324 14.843 -3.135 1.00 0.00 C ATOM 832 CD GLU A 78 3.635 15.233 -3.851 1.00 0.00 C ATOM 833 OE1 GLU A 78 3.610 15.464 -5.087 1.00 0.00 O ATOM 834 OE2 GLU A 78 4.697 15.309 -3.192 1.00 0.00 O ATOM 0 H GLU A 78 1.810 13.775 -0.851 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.049 13.349 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.962 12.806 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.956 13.061 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.487 15.382 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.374 15.141 -2.088 1.00 0.00 H new ATOM 841 N ILE A 79 1.582 10.496 -2.203 1.00 0.00 N ATOM 842 CA ILE A 79 1.610 9.038 -2.426 1.00 0.00 C ATOM 843 C ILE A 79 0.506 8.321 -1.631 1.00 0.00 C ATOM 844 O ILE A 79 -0.099 7.350 -2.101 1.00 0.00 O ATOM 845 CB ILE A 79 3.030 8.495 -2.120 1.00 0.00 C ATOM 846 CG1 ILE A 79 4.074 9.299 -2.940 1.00 0.00 C ATOM 847 CG2 ILE A 79 3.113 6.982 -2.366 1.00 0.00 C ATOM 848 CD1 ILE A 79 5.278 8.560 -3.548 1.00 0.00 C ATOM 0 H ILE A 79 2.355 10.824 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 79 1.394 8.830 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 79 3.255 8.635 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.543 9.790 -3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.464 10.086 -2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.121 6.632 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.399 6.469 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.878 6.770 -3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.906 9.269 -4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.858 8.093 -2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.924 7.793 -4.237 1.00 0.00 H new ATOM 860 N LEU A 80 0.177 8.865 -0.455 1.00 0.00 N ATOM 861 CA LEU A 80 -0.937 8.417 0.371 1.00 0.00 C ATOM 862 C LEU A 80 -2.265 8.566 -0.385 1.00 0.00 C ATOM 863 O LEU A 80 -3.031 7.613 -0.531 1.00 0.00 O ATOM 864 CB LEU A 80 -0.925 9.225 1.691 1.00 0.00 C ATOM 865 CG LEU A 80 -2.266 9.528 2.392 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.947 8.290 2.936 1.00 0.00 C ATOM 867 CD2 LEU A 80 -2.072 10.437 3.593 1.00 0.00 C ATOM 0 H LEU A 80 0.692 9.645 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.831 7.358 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.296 8.687 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.436 10.178 1.490 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.876 9.991 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.884 8.572 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.152 7.598 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.296 7.807 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.036 10.630 4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.409 9.955 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.632 11.380 3.268 1.00 0.00 H new ATOM 879 N VAL A 81 -2.525 9.775 -0.894 1.00 0.00 N ATOM 880 CA VAL A 81 -3.807 10.173 -1.504 1.00 0.00 C ATOM 881 C VAL A 81 -3.995 9.466 -2.813 1.00 0.00 C ATOM 882 O VAL A 81 -5.097 8.995 -3.111 1.00 0.00 O ATOM 883 CB VAL A 81 -3.868 11.700 -1.707 1.00 0.00 C ATOM 884 CG1 VAL A 81 -5.089 12.168 -2.510 1.00 0.00 C ATOM 885 CG2 VAL A 81 -3.925 12.424 -0.358 1.00 0.00 C ATOM 0 H VAL A 81 -1.835 10.526 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.613 9.888 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.963 11.943 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.063 13.253 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.071 11.710 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.001 11.874 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.968 13.500 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.813 12.106 0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.035 12.182 0.223 1.00 0.00 H new ATOM 895 N GLU A 82 -2.898 9.328 -3.559 1.00 0.00 N ATOM 896 CA GLU A 82 -2.813 8.457 -4.677 1.00 0.00 C ATOM 897 C GLU A 82 -3.356 7.081 -4.283 1.00 0.00 C ATOM 898 O GLU A 82 -4.462 6.760 -4.678 1.00 0.00 O ATOM 899 CB GLU A 82 -1.332 8.385 -5.019 1.00 0.00 C ATOM 900 CG GLU A 82 -0.795 9.291 -6.118 1.00 0.00 C ATOM 901 CD GLU A 82 -1.662 9.402 -7.374 1.00 0.00 C ATOM 902 OE1 GLU A 82 -1.742 8.435 -8.162 1.00 0.00 O ATOM 903 OE2 GLU A 82 -2.278 10.471 -7.591 1.00 0.00 O ATOM 0 H GLU A 82 -2.036 9.842 -3.378 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.395 8.804 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.771 8.599 -4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.106 7.356 -5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.659 10.290 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.191 8.930 -6.411 1.00 0.00 H new ATOM 910 N ALA A 83 -2.681 6.309 -3.422 1.00 0.00 N ATOM 911 CA ALA A 83 -3.143 4.960 -3.034 1.00 0.00 C ATOM 912 C ALA A 83 -4.617 4.886 -2.614 1.00 0.00 C ATOM 913 O ALA A 83 -5.345 4.006 -3.072 1.00 0.00 O ATOM 914 CB ALA A 83 -2.255 4.467 -1.900 1.00 0.00 C ATOM 0 H ALA A 83 -1.809 6.593 -2.976 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.067 4.327 -3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.575 3.471 -1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.220 4.427 -2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.333 5.149 -1.054 1.00 0.00 H new ATOM 920 N LEU A 84 -5.072 5.855 -1.826 1.00 0.00 N ATOM 921 CA LEU A 84 -6.452 5.954 -1.327 1.00 0.00 C ATOM 922 C LEU A 84 -7.455 6.155 -2.463 1.00 0.00 C ATOM 923 O LEU A 84 -8.620 5.781 -2.322 1.00 0.00 O ATOM 924 CB LEU A 84 -6.590 7.104 -0.301 1.00 0.00 C ATOM 925 CG LEU A 84 -5.809 7.041 1.011 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.705 7.477 2.163 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.236 5.670 1.318 1.00 0.00 C ATOM 0 H LEU A 84 -4.478 6.619 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.678 5.008 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.306 8.028 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.647 7.191 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.962 7.717 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.145 7.431 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.044 8.499 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.568 6.814 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.696 5.705 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.046 4.945 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.553 5.374 0.521 1.00 0.00 H new ATOM 939 N GLU A 85 -6.995 6.683 -3.593 1.00 0.00 N ATOM 940 CA GLU A 85 -7.759 6.735 -4.835 1.00 0.00 C ATOM 941 C GLU A 85 -7.320 5.731 -5.936 1.00 0.00 C ATOM 942 O GLU A 85 -7.984 5.655 -6.969 1.00 0.00 O ATOM 943 CB GLU A 85 -7.656 8.144 -5.438 1.00 0.00 C ATOM 944 CG GLU A 85 -8.179 9.303 -4.588 1.00 0.00 C ATOM 945 CD GLU A 85 -7.938 10.670 -5.273 1.00 0.00 C ATOM 946 OE1 GLU A 85 -7.583 10.727 -6.481 1.00 0.00 O ATOM 947 OE2 GLU A 85 -8.142 11.716 -4.609 1.00 0.00 O ATOM 0 H GLU A 85 -6.065 7.094 -3.673 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.773 6.462 -4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.608 8.338 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.196 8.148 -6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.246 9.169 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.687 9.292 -3.615 1.00 0.00 H new ATOM 954 N ARG A 86 -6.224 4.969 -5.762 1.00 0.00 N ATOM 955 CA ARG A 86 -5.563 4.182 -6.823 1.00 0.00 C ATOM 956 C ARG A 86 -5.620 2.692 -6.558 1.00 0.00 C ATOM 957 O ARG A 86 -5.624 1.922 -7.515 1.00 0.00 O ATOM 958 CB ARG A 86 -4.094 4.654 -6.958 1.00 0.00 C ATOM 959 CG ARG A 86 -3.812 5.628 -8.120 1.00 0.00 C ATOM 960 CD ARG A 86 -4.763 6.825 -7.933 1.00 0.00 C ATOM 961 NE ARG A 86 -4.469 8.079 -8.641 1.00 0.00 N ATOM 962 CZ ARG A 86 -5.313 9.093 -8.500 1.00 0.00 C ATOM 963 NH1 ARG A 86 -6.604 8.926 -8.437 1.00 0.00 N ATOM 964 NH2 ARG A 86 -4.906 10.309 -8.308 1.00 0.00 N ATOM 0 H ARG A 86 -5.761 4.881 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.100 4.351 -7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.798 5.134 -6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.459 3.777 -7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.772 5.954 -8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.983 5.144 -9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.761 6.504 -8.231 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.806 7.050 -6.867 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.638 8.167 -9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.000 7.988 -8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.218 9.733 -8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.907 10.511 -8.261 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.584 11.063 -8.204 1.00 0.00 H new ATOM 978 N LEU A 87 -5.684 2.299 -5.287 1.00 0.00 N ATOM 979 CA LEU A 87 -5.679 0.936 -4.809 1.00 0.00 C ATOM 980 C LEU A 87 -6.885 0.632 -3.905 1.00 0.00 C ATOM 981 O LEU A 87 -6.979 -0.471 -3.382 1.00 0.00 O ATOM 982 CB LEU A 87 -4.348 0.663 -4.096 1.00 0.00 C ATOM 983 CG LEU A 87 -3.143 0.447 -4.999 1.00 0.00 C ATOM 984 CD1 LEU A 87 -2.694 1.664 -5.768 1.00 0.00 C ATOM 985 CD2 LEU A 87 -1.961 -0.146 -4.237 1.00 0.00 C ATOM 0 H LEU A 87 -5.744 2.973 -4.524 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.773 0.264 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.135 1.501 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.469 -0.219 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.500 -0.267 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.830 1.408 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.505 2.009 -6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.422 2.455 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.121 -0.284 -4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.669 0.531 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.247 -1.109 -3.814 1.00 0.00 H new ATOM 997 N ASN A 88 -7.828 1.560 -3.706 1.00 0.00 N ATOM 998 CA ASN A 88 -8.965 1.286 -2.830 1.00 0.00 C ATOM 999 C ASN A 88 -10.006 0.339 -3.463 1.00 0.00 C ATOM 1000 O ASN A 88 -10.729 0.702 -4.396 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.580 2.572 -2.269 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.455 2.239 -1.075 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -10.153 1.353 -0.285 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -11.579 2.890 -0.914 1.00 0.00 N ATOM 0 H ASN A 88 -7.826 2.487 -4.131 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.569 0.737 -1.975 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.792 3.265 -1.973 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.171 3.070 -3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.196 2.658 -0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.838 3.629 -1.567 1.00 0.00 H new ATOM 1011 N ASN A 89 -10.070 -0.878 -2.919 1.00 0.00 N ATOM 1012 CA ASN A 89 -10.854 -2.032 -3.367 1.00 0.00 C ATOM 1013 C ASN A 89 -10.555 -2.455 -4.817 1.00 0.00 C ATOM 1014 O ASN A 89 -11.445 -2.893 -5.556 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.329 -1.856 -2.969 1.00 0.00 C ATOM 1016 CG ASN A 89 -13.015 -3.192 -2.743 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -13.862 -3.635 -3.507 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -12.674 -3.876 -1.670 1.00 0.00 N ATOM 0 H ASN A 89 -9.529 -1.101 -2.083 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.527 -2.923 -2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.391 -1.257 -2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.853 -1.306 -3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.116 -4.775 -1.476 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.968 -3.507 -1.033 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.289 -2.317 -5.239 1.00 0.00 N ATOM 1026 CA ILE A 90 -8.807 -2.763 -6.554 1.00 0.00 C ATOM 1027 C ILE A 90 -8.527 -4.254 -6.544 1.00 0.00 C ATOM 1028 O ILE A 90 -8.052 -4.794 -5.542 1.00 0.00 O ATOM 1029 CB ILE A 90 -7.544 -2.002 -7.026 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.274 -2.318 -6.207 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -7.909 -0.517 -7.130 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -4.995 -2.075 -6.996 1.00 0.00 C ATOM 0 H ILE A 90 -8.562 -1.886 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.605 -2.540 -7.262 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.246 -2.353 -8.014 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.264 -1.703 -5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.305 -3.358 -5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.039 0.049 -7.461 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.719 -0.391 -7.849 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.230 -0.152 -6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.133 -2.313 -6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.988 -2.709 -7.882 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.947 -1.029 -7.298 1.00 0.00 H new ATOM 1044 N GLU A 91 -8.768 -4.910 -7.666 1.00 0.00 N ATOM 1045 CA GLU A 91 -8.426 -6.314 -7.860 1.00 0.00 C ATOM 1046 C GLU A 91 -6.913 -6.484 -8.118 1.00 0.00 C ATOM 1047 O GLU A 91 -6.395 -6.199 -9.203 1.00 0.00 O ATOM 1048 CB GLU A 91 -9.273 -6.885 -8.992 1.00 0.00 C ATOM 1049 CG GLU A 91 -9.248 -8.416 -9.061 1.00 0.00 C ATOM 1050 CD GLU A 91 -9.235 -8.903 -10.526 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -10.324 -9.030 -11.138 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -8.135 -9.161 -11.075 1.00 0.00 O ATOM 0 H GLU A 91 -9.211 -4.481 -8.478 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.648 -6.874 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.303 -6.551 -8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.919 -6.480 -9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.367 -8.793 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.120 -8.821 -8.547 1.00 0.00 H new ATOM 1059 N PHE A 92 -6.194 -6.952 -7.102 1.00 0.00 N ATOM 1060 CA PHE A 92 -4.799 -7.378 -7.158 1.00 0.00 C ATOM 1061 C PHE A 92 -4.681 -8.767 -7.795 1.00 0.00 C ATOM 1062 O PHE A 92 -4.656 -9.777 -7.085 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.236 -7.367 -5.734 1.00 0.00 C ATOM 1064 CG PHE A 92 -2.759 -7.684 -5.508 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -1.863 -7.958 -6.568 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -2.272 -7.686 -4.182 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -0.501 -8.179 -6.305 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -0.909 -7.924 -3.928 1.00 0.00 C ATOM 1069 CZ PHE A 92 -0.022 -8.147 -4.990 1.00 0.00 C ATOM 0 H PHE A 92 -6.590 -7.050 -6.167 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.223 -6.694 -7.781 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.426 -6.379 -5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.817 -8.079 -5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.228 -7.997 -7.584 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.949 -7.504 -3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.179 -8.374 -7.121 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.545 -7.935 -2.911 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.030 -8.294 -4.794 1.00 0.00 H new ATOM 1079 N ARG A 93 -4.628 -8.818 -9.130 1.00 0.00 N ATOM 1080 CA ARG A 93 -4.367 -10.010 -9.973 1.00 0.00 C ATOM 1081 C ARG A 93 -5.466 -11.093 -9.987 1.00 0.00 C ATOM 1082 O ARG A 93 -5.485 -11.955 -10.871 1.00 0.00 O ATOM 1083 CB ARG A 93 -2.975 -10.598 -9.617 1.00 0.00 C ATOM 1084 CG ARG A 93 -2.984 -11.907 -8.800 1.00 0.00 C ATOM 1085 CD ARG A 93 -1.709 -12.098 -7.972 1.00 0.00 C ATOM 1086 NE ARG A 93 -1.862 -11.588 -6.592 1.00 0.00 N ATOM 1087 CZ ARG A 93 -0.893 -11.486 -5.693 1.00 0.00 C ATOM 1088 NH1 ARG A 93 0.356 -11.662 -6.022 1.00 0.00 N ATOM 1089 NH2 ARG A 93 -1.138 -11.223 -4.451 1.00 0.00 N ATOM 0 H ARG A 93 -4.774 -7.981 -9.694 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.378 -9.649 -11.001 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.429 -10.775 -10.544 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.418 -9.847 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.848 -11.909 -8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.102 -12.752 -9.478 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.453 -13.157 -7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.880 -11.584 -8.459 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.795 -11.289 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.603 -11.883 -6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.086 -11.579 -5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.099 -11.087 -4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.370 -11.151 -3.784 1.00 0.00 H new ATOM 1103 N GLY A 94 -6.321 -11.065 -8.961 1.00 0.00 N ATOM 1104 CA GLY A 94 -7.285 -12.101 -8.604 1.00 0.00 C ATOM 1105 C GLY A 94 -7.705 -12.028 -7.128 1.00 0.00 C ATOM 1106 O GLY A 94 -8.716 -12.636 -6.761 1.00 0.00 O ATOM 0 H GLY A 94 -6.358 -10.271 -8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.168 -12.004 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.853 -13.081 -8.808 1.00 0.00 H new ATOM 1110 N SER A 95 -6.981 -11.285 -6.265 1.00 0.00 N ATOM 1111 CA SER A 95 -7.431 -10.921 -4.933 1.00 0.00 C ATOM 1112 C SER A 95 -7.929 -9.485 -5.084 1.00 0.00 C ATOM 1113 O SER A 95 -7.854 -8.908 -6.163 1.00 0.00 O ATOM 1114 CB SER A 95 -6.232 -10.940 -3.984 1.00 0.00 C ATOM 1115 OG SER A 95 -5.561 -12.189 -3.971 1.00 0.00 O ATOM 0 H SER A 95 -6.055 -10.922 -6.491 1.00 0.00 H new ATOM 0 HA SER A 95 -8.194 -11.593 -4.540 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.530 -10.159 -4.277 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.569 -10.704 -2.975 1.00 0.00 H new ATOM 0 HG SER A 95 -4.803 -12.147 -3.351 1.00 0.00 H new ATOM 1121 N VAL A 96 -8.376 -8.842 -4.020 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.603 -7.383 -4.035 1.00 0.00 C ATOM 1123 C VAL A 96 -8.067 -6.806 -2.719 1.00 0.00 C ATOM 1124 O VAL A 96 -8.051 -7.514 -1.705 1.00 0.00 O ATOM 1125 CB VAL A 96 -10.061 -6.948 -4.364 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -10.841 -7.946 -5.217 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -10.940 -6.579 -3.173 1.00 0.00 C ATOM 0 H VAL A 96 -8.592 -9.293 -3.131 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.050 -6.959 -4.873 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.863 -6.040 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.845 -7.563 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.330 -8.088 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.905 -8.900 -4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.931 -6.293 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.026 -7.436 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.492 -5.744 -2.635 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.680 -5.532 -2.694 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.232 -4.810 -1.490 1.00 0.00 C ATOM 1139 C ILE A 97 -7.999 -3.505 -1.344 1.00 0.00 C ATOM 1140 O ILE A 97 -8.161 -2.769 -2.304 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.718 -4.489 -1.495 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -5.188 -4.167 -2.912 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -4.922 -5.612 -0.820 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -3.750 -3.641 -2.943 1.00 0.00 C ATOM 0 H ILE A 97 -7.667 -4.951 -3.532 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.429 -5.477 -0.651 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.574 -3.581 -0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.246 -5.068 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.843 -3.427 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.860 -5.365 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.254 -5.724 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.085 -6.547 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.458 -3.441 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.687 -2.721 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.080 -4.387 -2.515 1.00 0.00 H new ATOM 1156 N THR A 98 -8.426 -3.211 -0.124 1.00 0.00 N ATOM 1157 CA THR A 98 -8.988 -1.937 0.343 1.00 0.00 C ATOM 1158 C THR A 98 -7.866 -1.206 1.079 1.00 0.00 C ATOM 1159 O THR A 98 -7.084 -1.831 1.806 1.00 0.00 O ATOM 1160 CB THR A 98 -10.135 -2.224 1.314 1.00 0.00 C ATOM 1161 OG1 THR A 98 -11.067 -3.109 0.724 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.922 -0.986 1.728 1.00 0.00 C ATOM 0 H THR A 98 -8.389 -3.902 0.625 1.00 0.00 H new ATOM 0 HA THR A 98 -9.369 -1.339 -0.485 1.00 0.00 H new ATOM 0 HB THR A 98 -9.654 -2.647 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.795 -3.286 1.356 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.717 -1.273 2.416 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.255 -0.278 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.358 -0.520 0.845 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.760 0.107 0.886 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.604 0.882 1.359 1.00 0.00 C ATOM 1172 C VAL A 99 -7.023 2.210 1.962 1.00 0.00 C ATOM 1173 O VAL A 99 -7.906 2.905 1.454 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.536 1.092 0.275 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -5.149 -0.219 -0.397 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -6.006 2.057 -0.786 1.00 0.00 C ATOM 0 H VAL A 99 -8.464 0.664 0.402 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.147 0.279 2.143 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.665 1.506 0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.392 -0.028 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.749 -0.906 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.029 -0.662 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.225 2.181 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.906 1.666 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.227 3.021 -0.329 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.382 2.553 3.069 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.752 3.728 3.876 1.00 0.00 C ATOM 1188 C GLU A 100 -5.678 4.122 4.891 1.00 0.00 C ATOM 1189 O GLU A 100 -4.830 3.321 5.284 1.00 0.00 O ATOM 1190 CB GLU A 100 -8.085 3.477 4.619 1.00 0.00 C ATOM 1191 CG GLU A 100 -8.115 2.312 5.622 1.00 0.00 C ATOM 1192 CD GLU A 100 -8.249 0.934 4.956 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -9.383 0.497 4.636 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -7.230 0.226 4.796 1.00 0.00 O ATOM 0 H GLU A 100 -5.589 2.031 3.442 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.860 4.555 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.353 4.390 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.861 3.303 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.202 2.332 6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.948 2.457 6.310 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.737 5.374 5.341 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.824 5.937 6.341 1.00 0.00 C ATOM 1203 C ARG A 101 -5.036 5.368 7.756 1.00 0.00 C ATOM 1204 O ARG A 101 -6.163 5.125 8.188 1.00 0.00 O ATOM 1205 CB ARG A 101 -4.905 7.465 6.254 1.00 0.00 C ATOM 1206 CG ARG A 101 -6.241 8.092 6.683 1.00 0.00 C ATOM 1207 CD ARG A 101 -6.327 9.550 6.194 1.00 0.00 C ATOM 1208 NE ARG A 101 -6.848 10.442 7.243 1.00 0.00 N ATOM 1209 CZ ARG A 101 -7.502 11.578 7.106 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -8.016 11.967 5.969 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -7.633 12.358 8.139 1.00 0.00 N ATOM 0 H ARG A 101 -6.435 6.042 5.015 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.803 5.631 6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.113 7.887 6.872 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.700 7.762 5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -7.070 7.514 6.274 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.334 8.059 7.768 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.339 9.890 5.884 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.972 9.603 5.317 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.681 10.141 8.203 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -7.919 11.382 5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -8.514 12.855 5.912 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -7.233 12.087 9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.136 13.241 8.051 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.924 5.170 8.459 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.814 4.449 9.733 1.00 0.00 C ATOM 1227 C ASP A 102 -3.237 5.313 10.888 1.00 0.00 C ATOM 1228 O ASP A 102 -3.434 4.976 12.054 1.00 0.00 O ATOM 1229 CB ASP A 102 -3.018 3.151 9.463 1.00 0.00 C ATOM 1230 CG ASP A 102 -2.077 2.691 10.591 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -0.972 3.263 10.702 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -2.337 1.676 11.280 1.00 0.00 O ATOM 0 H ASP A 102 -3.023 5.527 8.141 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.808 4.194 10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -3.727 2.349 9.258 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -2.427 3.292 8.558 1.00 0.00 H new