USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 545 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 Single : A 1 MET CE :methyl 168:sc= -1.44 (180deg=-1.51) USER MOD Single : A 1 MET N :NH3+ -112:sc= 1.33 (180deg=-0.448) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -140:sc= -1.37! USER MOD Single : A 22 SER OG : rot -131:sc= -1.18 USER MOD Single : A 25 GLN : amide:sc= -0.049 X(o=-0.049,f=-0.081) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= -0.0663 (180deg=-0.336) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.0096) USER MOD Single : A 40 GLN : amide:sc= -0.0297 X(o=-0.03,f=-0.29) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0263) USER MOD Single : A 52 ASN : amide:sc= -0.0522 X(o=-0.052,f=-0.31) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.17! C(o=-2.2!,f=-3.4!) USER MOD Single : A 58 ASN : amide:sc= -0.378 K(o=-0.38,f=-3!) USER MOD Single : A 59 CYS SG : rot 69:sc= 1.24 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.71) USER MOD Single : A 68 HIS : no HD1:sc= -2.91 X(o=-2.9,f=-3!) USER MOD Single : A 71 GLN : amide:sc= -4.61! C(o=-4.6!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.544 -0.736 0.571 1.00 0.00 N ATOM 2 CA MET A 1 2.347 -0.670 -0.660 1.00 0.00 C ATOM 3 C MET A 1 1.964 -1.803 -1.596 1.00 0.00 C ATOM 4 O MET A 1 1.424 -2.824 -1.160 1.00 0.00 O ATOM 5 CB MET A 1 3.856 -0.712 -0.346 1.00 0.00 C ATOM 6 CG MET A 1 4.367 -2.052 0.170 1.00 0.00 C ATOM 7 SD MET A 1 6.144 -2.026 0.502 1.00 0.00 S ATOM 8 CE MET A 1 6.451 -3.744 0.899 1.00 0.00 C ATOM 0 H1 MET A 1 0.896 0.076 0.606 1.00 0.00 H new ATOM 0 H2 MET A 1 0.994 -1.619 0.580 1.00 0.00 H new ATOM 0 H3 MET A 1 2.174 -0.712 1.398 1.00 0.00 H new ATOM 0 HA MET A 1 2.137 0.280 -1.152 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.408 -0.453 -1.250 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.080 0.055 0.395 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.833 -2.315 1.083 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.148 -2.829 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.525 -3.927 0.917 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.027 -3.973 1.877 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.988 -4.380 0.145 1.00 0.00 H new ATOM 20 N ILE A 2 2.235 -1.622 -2.868 1.00 0.00 N ATOM 21 CA ILE A 2 1.909 -2.611 -3.874 1.00 0.00 C ATOM 22 C ILE A 2 3.156 -3.356 -4.302 1.00 0.00 C ATOM 23 O ILE A 2 4.108 -2.751 -4.794 1.00 0.00 O ATOM 24 CB ILE A 2 1.275 -1.947 -5.110 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.089 -1.083 -4.688 1.00 0.00 C ATOM 26 CG2 ILE A 2 0.844 -3.005 -6.122 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.521 -0.293 -5.817 1.00 0.00 C ATOM 0 H ILE A 2 2.688 -0.785 -3.236 1.00 0.00 H new ATOM 0 HA ILE A 2 1.195 -3.309 -3.436 1.00 0.00 H new ATOM 0 HB ILE A 2 2.017 -1.307 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.677 -1.723 -4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.413 -0.394 -3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.398 -2.518 -6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.713 -3.583 -6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.113 -3.671 -5.663 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.357 0.295 -5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.229 0.374 -6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.877 -0.976 -6.588 1.00 0.00 H new ATOM 39 N VAL A 3 3.155 -4.654 -4.110 1.00 0.00 N ATOM 40 CA VAL A 3 4.289 -5.466 -4.490 1.00 0.00 C ATOM 41 C VAL A 3 3.909 -6.423 -5.604 1.00 0.00 C ATOM 42 O VAL A 3 2.760 -6.859 -5.699 1.00 0.00 O ATOM 43 CB VAL A 3 4.871 -6.260 -3.292 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.411 -5.311 -2.238 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.824 -7.186 -2.685 1.00 0.00 C ATOM 0 H VAL A 3 2.382 -5.172 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 3 5.063 -4.784 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 3 5.691 -6.875 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.816 -5.885 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.200 -4.696 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.606 -4.669 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.261 -7.730 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.977 -6.597 -2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.484 -7.895 -3.440 1.00 0.00 H new ATOM 55 N PHE A 4 4.857 -6.725 -6.452 1.00 0.00 N ATOM 56 CA PHE A 4 4.629 -7.641 -7.544 1.00 0.00 C ATOM 57 C PHE A 4 4.940 -9.050 -7.102 1.00 0.00 C ATOM 58 O PHE A 4 5.937 -9.292 -6.411 1.00 0.00 O ATOM 59 CB PHE A 4 5.472 -7.255 -8.757 1.00 0.00 C ATOM 60 CG PHE A 4 4.999 -6.008 -9.449 1.00 0.00 C ATOM 61 CD1 PHE A 4 5.204 -4.759 -8.882 1.00 0.00 C ATOM 62 CD2 PHE A 4 4.350 -6.087 -10.665 1.00 0.00 C ATOM 63 CE1 PHE A 4 4.769 -3.613 -9.518 1.00 0.00 C ATOM 64 CE2 PHE A 4 3.912 -4.945 -11.308 1.00 0.00 C ATOM 65 CZ PHE A 4 4.120 -3.706 -10.734 1.00 0.00 C ATOM 0 H PHE A 4 5.803 -6.347 -6.408 1.00 0.00 H new ATOM 0 HA PHE A 4 3.580 -7.588 -7.836 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.505 -7.114 -8.440 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.466 -8.080 -9.470 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.710 -4.682 -7.931 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.183 -7.053 -11.119 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.936 -2.646 -9.066 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.407 -5.021 -12.260 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.776 -2.813 -11.234 1.00 0.00 H new ATOM 75 N VAL A 5 4.097 -9.972 -7.480 1.00 0.00 N ATOM 76 CA VAL A 5 4.263 -11.337 -7.074 1.00 0.00 C ATOM 77 C VAL A 5 3.976 -12.302 -8.229 1.00 0.00 C ATOM 78 O VAL A 5 3.060 -12.096 -9.025 1.00 0.00 O ATOM 79 CB VAL A 5 3.365 -11.648 -5.844 1.00 0.00 C ATOM 80 CG1 VAL A 5 1.914 -11.373 -6.145 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.546 -13.070 -5.359 1.00 0.00 C ATOM 0 H VAL A 5 3.284 -9.799 -8.072 1.00 0.00 H new ATOM 0 HA VAL A 5 5.304 -11.481 -6.784 1.00 0.00 H new ATOM 0 HB VAL A 5 3.682 -10.982 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.311 -11.600 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.790 -10.323 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.591 -11.997 -6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.901 -13.246 -4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.283 -13.763 -6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.585 -13.227 -5.071 1.00 0.00 H new ATOM 91 N ARG A 6 4.796 -13.321 -8.320 1.00 0.00 N ATOM 92 CA ARG A 6 4.682 -14.348 -9.329 1.00 0.00 C ATOM 93 C ARG A 6 4.069 -15.583 -8.698 1.00 0.00 C ATOM 94 O ARG A 6 4.330 -15.877 -7.533 1.00 0.00 O ATOM 95 CB ARG A 6 6.076 -14.709 -9.857 1.00 0.00 C ATOM 96 CG ARG A 6 6.858 -13.549 -10.435 1.00 0.00 C ATOM 97 CD ARG A 6 6.452 -13.257 -11.859 1.00 0.00 C ATOM 98 NE ARG A 6 6.593 -14.435 -12.725 1.00 0.00 N ATOM 99 CZ ARG A 6 6.500 -14.407 -14.056 1.00 0.00 C ATOM 100 NH1 ARG A 6 6.340 -13.249 -14.688 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 6.595 -15.535 -14.755 1.00 0.00 N ATOM 0 H ARG A 6 5.578 -13.463 -7.681 1.00 0.00 H new ATOM 0 HA ARG A 6 4.061 -13.987 -10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.654 -15.149 -9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.971 -15.476 -10.625 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.699 -12.662 -9.822 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.924 -13.775 -10.399 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.417 -12.915 -11.878 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.063 -12.444 -12.251 1.00 0.00 H new ATOM 0 HE ARG A 6 6.774 -15.334 -12.279 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.288 -12.380 -14.156 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.269 -13.229 -15.705 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.739 -16.423 -14.274 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.524 -15.512 -15.772 1.00 0.00 H new ATOM 115 N PHE A 7 3.267 -16.296 -9.447 1.00 0.00 N ATOM 116 CA PHE A 7 2.663 -17.511 -8.944 1.00 0.00 C ATOM 117 C PHE A 7 2.726 -18.599 -10.005 1.00 0.00 C ATOM 118 O PHE A 7 2.728 -18.304 -11.204 1.00 0.00 O ATOM 119 CB PHE A 7 1.212 -17.257 -8.500 1.00 0.00 C ATOM 120 CG PHE A 7 0.574 -18.434 -7.811 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.855 -18.707 -6.485 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.298 -19.265 -8.491 1.00 0.00 C ATOM 123 CE1 PHE A 7 0.279 -19.788 -5.850 1.00 0.00 C ATOM 124 CE2 PHE A 7 -0.878 -20.349 -7.860 1.00 0.00 C ATOM 125 CZ PHE A 7 -0.588 -20.610 -6.537 1.00 0.00 C ATOM 0 H PHE A 7 3.015 -16.060 -10.407 1.00 0.00 H new ATOM 0 HA PHE A 7 3.222 -17.845 -8.070 1.00 0.00 H new ATOM 0 HB2 PHE A 7 1.192 -16.399 -7.828 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.616 -16.991 -9.373 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.533 -18.067 -5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.528 -19.064 -9.527 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.508 -19.990 -4.814 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.557 -20.991 -8.402 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.039 -21.456 -6.041 1.00 0.00 H new ATOM 135 N ASN A 8 2.795 -19.848 -9.557 1.00 0.00 N ATOM 136 CA ASN A 8 2.857 -21.004 -10.455 1.00 0.00 C ATOM 137 C ASN A 8 1.726 -20.989 -11.477 1.00 0.00 C ATOM 138 O ASN A 8 0.547 -20.946 -11.112 1.00 0.00 O ATOM 139 CB ASN A 8 2.790 -22.309 -9.664 1.00 0.00 C ATOM 140 CG ASN A 8 2.758 -23.527 -10.575 1.00 0.00 C ATOM 141 OD1 ASN A 8 3.399 -23.550 -11.629 1.00 0.00 O ATOM 142 ND2 ASN A 8 1.991 -24.526 -10.197 1.00 0.00 N ATOM 0 H ASN A 8 2.810 -20.091 -8.566 1.00 0.00 H new ATOM 0 HA ASN A 8 3.808 -20.940 -10.984 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.652 -22.375 -9.000 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.901 -22.305 -9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.911 -25.357 -10.783 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.476 -24.470 -9.318 1.00 0.00 H new ATOM 188 N GLY A 12 2.905 -12.150 -13.330 1.00 0.00 N ATOM 189 CA GLY A 12 3.438 -11.284 -12.305 1.00 0.00 C ATOM 190 C GLY A 12 2.448 -10.203 -11.950 1.00 0.00 C ATOM 191 O GLY A 12 2.545 -9.078 -12.433 1.00 0.00 O ATOM 0 HA2 GLY A 12 3.679 -11.869 -11.417 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.368 -10.833 -12.651 1.00 0.00 H new ATOM 195 N PHE A 13 1.493 -10.545 -11.115 1.00 0.00 N ATOM 196 CA PHE A 13 0.441 -9.624 -10.750 1.00 0.00 C ATOM 197 C PHE A 13 0.802 -8.823 -9.505 1.00 0.00 C ATOM 198 O PHE A 13 1.480 -9.323 -8.608 1.00 0.00 O ATOM 199 CB PHE A 13 -0.897 -10.368 -10.562 1.00 0.00 C ATOM 200 CG PHE A 13 -0.829 -11.567 -9.646 1.00 0.00 C ATOM 201 CD1 PHE A 13 -1.046 -11.433 -8.287 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.564 -12.827 -10.155 1.00 0.00 C ATOM 203 CE1 PHE A 13 -0.997 -12.533 -7.451 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.510 -13.929 -9.324 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.729 -13.781 -7.970 1.00 0.00 C ATOM 0 H PHE A 13 1.423 -11.462 -10.673 1.00 0.00 H new ATOM 0 HA PHE A 13 0.325 -8.915 -11.569 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.634 -9.668 -10.168 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.256 -10.694 -11.538 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.256 -10.458 -7.874 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.397 -12.950 -11.215 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.169 -12.414 -6.391 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.297 -14.905 -9.734 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.690 -14.641 -7.318 1.00 0.00 H new ATOM 215 N PRO A 14 0.381 -7.557 -9.454 1.00 0.00 N ATOM 216 CA PRO A 14 0.635 -6.695 -8.317 1.00 0.00 C ATOM 217 C PRO A 14 -0.394 -6.903 -7.203 1.00 0.00 C ATOM 218 O PRO A 14 -1.603 -6.950 -7.454 1.00 0.00 O ATOM 219 CB PRO A 14 0.507 -5.296 -8.914 1.00 0.00 C ATOM 220 CG PRO A 14 -0.481 -5.442 -10.022 1.00 0.00 C ATOM 221 CD PRO A 14 -0.368 -6.862 -10.521 1.00 0.00 C ATOM 0 HA PRO A 14 1.602 -6.888 -7.852 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.163 -4.578 -8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.466 -4.935 -9.285 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.491 -5.235 -9.669 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.272 -4.733 -10.823 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.350 -7.310 -10.676 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.159 -6.909 -11.474 1.00 0.00 H new ATOM 229 N VAL A 15 0.091 -7.054 -5.990 1.00 0.00 N ATOM 230 CA VAL A 15 -0.763 -7.228 -4.833 1.00 0.00 C ATOM 231 C VAL A 15 -0.580 -6.062 -3.869 1.00 0.00 C ATOM 232 O VAL A 15 0.542 -5.772 -3.434 1.00 0.00 O ATOM 233 CB VAL A 15 -0.473 -8.571 -4.096 1.00 0.00 C ATOM 234 CG1 VAL A 15 -1.245 -8.646 -2.790 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.845 -9.745 -4.977 1.00 0.00 C ATOM 0 H VAL A 15 1.088 -7.060 -5.777 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.794 -7.255 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 15 0.594 -8.613 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.028 -9.591 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.949 -7.820 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.314 -8.581 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.637 -10.676 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.906 -9.695 -5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.260 -9.710 -5.896 1.00 0.00 H new ATOM 245 N GLU A 16 -1.666 -5.381 -3.563 1.00 0.00 N ATOM 246 CA GLU A 16 -1.619 -4.261 -2.653 1.00 0.00 C ATOM 247 C GLU A 16 -1.870 -4.721 -1.225 1.00 0.00 C ATOM 248 O GLU A 16 -2.920 -5.291 -0.916 1.00 0.00 O ATOM 249 CB GLU A 16 -2.631 -3.189 -3.055 1.00 0.00 C ATOM 250 CG GLU A 16 -2.590 -1.959 -2.169 1.00 0.00 C ATOM 251 CD GLU A 16 -3.417 -0.823 -2.710 1.00 0.00 C ATOM 252 OE1 GLU A 16 -4.655 -0.886 -2.616 1.00 0.00 O ATOM 253 OE2 GLU A 16 -2.830 0.148 -3.226 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.594 -5.587 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.622 -3.824 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.443 -2.891 -4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.633 -3.616 -3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.948 -2.222 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.557 -1.630 -2.059 1.00 0.00 H new ATOM 260 N VAL A 17 -0.896 -4.482 -0.369 1.00 0.00 N ATOM 261 CA VAL A 17 -0.985 -4.858 1.032 1.00 0.00 C ATOM 262 C VAL A 17 -0.583 -3.691 1.916 1.00 0.00 C ATOM 263 O VAL A 17 -0.143 -2.648 1.421 1.00 0.00 O ATOM 264 CB VAL A 17 -0.077 -6.070 1.355 1.00 0.00 C ATOM 265 CG1 VAL A 17 -0.590 -7.326 0.669 1.00 0.00 C ATOM 266 CG2 VAL A 17 1.364 -5.784 0.939 1.00 0.00 C ATOM 0 H VAL A 17 -0.021 -4.023 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.021 -5.136 1.229 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.100 -6.236 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.063 -8.165 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.601 -7.542 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.601 -7.173 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.988 -6.646 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.401 -5.589 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.732 -4.912 1.479 1.00 0.00 H new ATOM 276 N ASP A 18 -0.723 -3.862 3.212 1.00 0.00 N ATOM 277 CA ASP A 18 -0.340 -2.834 4.165 1.00 0.00 C ATOM 278 C ASP A 18 1.136 -2.941 4.470 1.00 0.00 C ATOM 279 O ASP A 18 1.754 -3.975 4.229 1.00 0.00 O ATOM 280 CB ASP A 18 -1.132 -2.972 5.470 1.00 0.00 C ATOM 281 CG ASP A 18 -2.568 -2.531 5.351 1.00 0.00 C ATOM 282 OD1 ASP A 18 -2.897 -1.439 5.861 1.00 0.00 O ATOM 283 OD2 ASP A 18 -3.384 -3.273 4.763 1.00 0.00 O1- ATOM 0 H ASP A 18 -1.102 -4.709 3.636 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.560 -1.863 3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.105 -4.013 5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.643 -2.384 6.247 1.00 0.00 H new ATOM 288 N SER A 19 1.702 -1.884 5.001 1.00 0.00 N ATOM 289 CA SER A 19 3.098 -1.890 5.376 1.00 0.00 C ATOM 290 C SER A 19 3.305 -2.764 6.613 1.00 0.00 C ATOM 291 O SER A 19 4.379 -3.330 6.824 1.00 0.00 O ATOM 292 CB SER A 19 3.573 -0.458 5.633 1.00 0.00 C ATOM 293 OG SER A 19 3.312 0.371 4.505 1.00 0.00 O ATOM 0 H SER A 19 1.217 -1.006 5.184 1.00 0.00 H new ATOM 0 HA SER A 19 3.689 -2.308 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.068 -0.055 6.511 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.641 -0.458 5.851 1.00 0.00 H new ATOM 0 HG SER A 19 3.621 1.282 4.690 1.00 0.00 H new ATOM 299 N ASP A 20 2.250 -2.897 7.408 1.00 0.00 N ATOM 300 CA ASP A 20 2.305 -3.695 8.621 1.00 0.00 C ATOM 301 C ASP A 20 1.842 -5.128 8.359 1.00 0.00 C ATOM 302 O ASP A 20 1.801 -5.951 9.278 1.00 0.00 O ATOM 303 CB ASP A 20 1.454 -3.061 9.729 1.00 0.00 C ATOM 304 CG ASP A 20 -0.038 -3.148 9.461 1.00 0.00 C ATOM 305 OD1 ASP A 20 -0.592 -2.221 8.821 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.668 -4.135 9.902 1.00 0.00 O1- ATOM 0 H ASP A 20 1.345 -2.460 7.232 1.00 0.00 H new ATOM 0 HA ASP A 20 3.344 -3.724 8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.676 -3.554 10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.736 -2.014 9.841 1.00 0.00 H new ATOM 311 N THR A 21 1.503 -5.423 7.109 1.00 0.00 N ATOM 312 CA THR A 21 1.067 -6.754 6.730 1.00 0.00 C ATOM 313 C THR A 21 2.213 -7.742 6.878 1.00 0.00 C ATOM 314 O THR A 21 3.261 -7.575 6.267 1.00 0.00 O ATOM 315 CB THR A 21 0.546 -6.771 5.267 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.637 -5.977 5.167 1.00 0.00 O ATOM 317 CG2 THR A 21 0.246 -8.189 4.789 1.00 0.00 C ATOM 0 H THR A 21 1.523 -4.752 6.341 1.00 0.00 H new ATOM 0 HA THR A 21 0.251 -7.045 7.392 1.00 0.00 H new ATOM 0 HB THR A 21 1.330 -6.359 4.632 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.280 -6.421 4.576 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.116 -8.158 3.761 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.155 -8.789 4.835 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.516 -8.635 5.429 1.00 0.00 H new ATOM 325 N SER A 22 2.023 -8.742 7.711 1.00 0.00 N ATOM 326 CA SER A 22 3.037 -9.747 7.922 1.00 0.00 C ATOM 327 C SER A 22 3.093 -10.693 6.737 1.00 0.00 C ATOM 328 O SER A 22 2.120 -10.811 5.981 1.00 0.00 O ATOM 329 CB SER A 22 2.749 -10.525 9.205 1.00 0.00 C ATOM 330 OG SER A 22 1.469 -11.133 9.150 1.00 0.00 O ATOM 0 H SER A 22 1.171 -8.879 8.255 1.00 0.00 H new ATOM 0 HA SER A 22 4.004 -9.253 8.021 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.513 -11.289 9.352 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.801 -9.853 10.062 1.00 0.00 H new ATOM 0 HG SER A 22 0.977 -10.935 9.974 1.00 0.00 H new ATOM 336 N ILE A 23 4.220 -11.367 6.571 1.00 0.00 N ATOM 337 CA ILE A 23 4.377 -12.333 5.493 1.00 0.00 C ATOM 338 C ILE A 23 3.352 -13.465 5.655 1.00 0.00 C ATOM 339 O ILE A 23 2.962 -14.109 4.686 1.00 0.00 O ATOM 340 CB ILE A 23 5.821 -12.913 5.451 1.00 0.00 C ATOM 341 CG1 ILE A 23 6.856 -11.776 5.418 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.009 -13.833 4.244 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.719 -10.846 4.229 1.00 0.00 C ATOM 0 H ILE A 23 5.040 -11.264 7.169 1.00 0.00 H new ATOM 0 HA ILE A 23 4.201 -11.818 4.548 1.00 0.00 H new ATOM 0 HB ILE A 23 5.973 -13.502 6.356 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.767 -11.192 6.334 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.856 -12.210 5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.026 -14.224 4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.302 -14.661 4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.832 -13.271 3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.486 -10.073 4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.839 -11.414 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.733 -10.381 4.243 1.00 0.00 H new ATOM 355 N PHE A 24 2.902 -13.672 6.894 1.00 0.00 N ATOM 356 CA PHE A 24 1.891 -14.677 7.192 1.00 0.00 C ATOM 357 C PHE A 24 0.544 -14.270 6.588 1.00 0.00 C ATOM 358 O PHE A 24 -0.125 -15.072 5.941 1.00 0.00 O ATOM 359 CB PHE A 24 1.758 -14.863 8.709 1.00 0.00 C ATOM 360 CG PHE A 24 0.834 -15.978 9.117 1.00 0.00 C ATOM 361 CD1 PHE A 24 0.937 -17.232 8.534 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.129 -15.774 10.090 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.094 -18.259 8.912 1.00 0.00 C ATOM 364 CE2 PHE A 24 -0.975 -16.798 10.471 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.864 -18.042 9.883 1.00 0.00 C ATOM 0 H PHE A 24 3.227 -13.151 7.709 1.00 0.00 H new ATOM 0 HA PHE A 24 2.200 -15.624 6.750 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.746 -15.054 9.128 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.400 -13.931 9.148 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.685 -17.408 7.775 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.220 -14.804 10.556 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.184 -19.230 8.449 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.724 -16.625 11.230 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.524 -18.843 10.181 1.00 0.00 H new ATOM 375 N GLN A 25 0.162 -13.013 6.792 1.00 0.00 N ATOM 376 CA GLN A 25 -1.086 -12.495 6.238 1.00 0.00 C ATOM 377 C GLN A 25 -0.973 -12.376 4.728 1.00 0.00 C ATOM 378 O GLN A 25 -1.922 -12.660 4.005 1.00 0.00 O ATOM 379 CB GLN A 25 -1.425 -11.128 6.845 1.00 0.00 C ATOM 380 CG GLN A 25 -1.607 -11.142 8.356 1.00 0.00 C ATOM 381 CD GLN A 25 -2.734 -12.050 8.801 1.00 0.00 C ATOM 382 OE1 GLN A 25 -2.527 -13.229 9.072 1.00 0.00 O ATOM 383 NE2 GLN A 25 -3.930 -11.506 8.887 1.00 0.00 N ATOM 0 H GLN A 25 0.697 -12.335 7.335 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.887 -13.191 6.486 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.631 -10.425 6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.340 -10.755 6.384 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.678 -11.465 8.827 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.804 -10.128 8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.061 -10.522 8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.726 -12.069 9.188 1.00 0.00 H new ATOM 392 N LEU A 26 0.200 -11.954 4.262 1.00 0.00 N ATOM 393 CA LEU A 26 0.480 -11.833 2.832 1.00 0.00 C ATOM 394 C LEU A 26 0.356 -13.195 2.157 1.00 0.00 C ATOM 395 O LEU A 26 -0.151 -13.306 1.035 1.00 0.00 O ATOM 396 CB LEU A 26 1.884 -11.262 2.622 1.00 0.00 C ATOM 397 CG LEU A 26 2.385 -11.203 1.177 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.516 -10.287 0.335 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.825 -10.741 1.149 1.00 0.00 C ATOM 0 H LEU A 26 0.981 -11.687 4.862 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.246 -11.155 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.908 -10.253 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.586 -11.860 3.203 1.00 0.00 H new ATOM 0 HG LEU A 26 2.325 -12.204 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.895 -10.264 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.491 -10.658 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.537 -9.280 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.174 -10.702 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.898 -9.749 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.442 -11.439 1.715 1.00 0.00 H new ATOM 411 N LYS A 27 0.821 -14.223 2.858 1.00 0.00 N ATOM 412 CA LYS A 27 0.731 -15.606 2.403 1.00 0.00 C ATOM 413 C LYS A 27 -0.719 -15.928 2.076 1.00 0.00 C ATOM 414 O LYS A 27 -1.032 -16.494 1.028 1.00 0.00 O ATOM 415 CB LYS A 27 1.208 -16.530 3.529 1.00 0.00 C ATOM 416 CG LYS A 27 1.480 -17.969 3.123 1.00 0.00 C ATOM 417 CD LYS A 27 2.851 -18.113 2.493 1.00 0.00 C ATOM 418 CE LYS A 27 3.233 -19.573 2.316 1.00 0.00 C ATOM 419 NZ LYS A 27 3.383 -20.281 3.618 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.275 -14.119 3.766 1.00 0.00 H new ATOM 0 HA LYS A 27 1.350 -15.748 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.120 -16.113 3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.457 -16.529 4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.410 -18.616 3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.717 -18.301 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.862 -17.613 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.593 -17.615 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.473 -20.075 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.169 -19.636 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.941 -21.148 3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.870 -19.661 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.443 -20.529 3.988 1.00 0.00 H new ATOM 433 N GLU A 28 -1.589 -15.537 2.988 1.00 0.00 N ATOM 434 CA GLU A 28 -3.011 -15.753 2.862 1.00 0.00 C ATOM 435 C GLU A 28 -3.600 -14.912 1.730 1.00 0.00 C ATOM 436 O GLU A 28 -4.439 -15.387 0.971 1.00 0.00 O ATOM 437 CB GLU A 28 -3.691 -15.395 4.172 1.00 0.00 C ATOM 438 CG GLU A 28 -3.265 -16.242 5.349 1.00 0.00 C ATOM 439 CD GLU A 28 -4.014 -15.877 6.608 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.282 -14.674 6.821 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.337 -16.790 7.399 1.00 0.00 O1- ATOM 0 H GLU A 28 -1.321 -15.055 3.846 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.181 -16.804 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.486 -14.349 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.770 -15.488 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.434 -17.294 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.195 -16.120 5.515 1.00 0.00 H new ATOM 448 N VAL A 29 -3.147 -13.661 1.623 1.00 0.00 N ATOM 449 CA VAL A 29 -3.649 -12.739 0.603 1.00 0.00 C ATOM 450 C VAL A 29 -3.449 -13.293 -0.804 1.00 0.00 C ATOM 451 O VAL A 29 -4.378 -13.297 -1.615 1.00 0.00 O ATOM 452 CB VAL A 29 -2.991 -11.336 0.702 1.00 0.00 C ATOM 453 CG1 VAL A 29 -3.498 -10.424 -0.410 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.266 -10.709 2.059 1.00 0.00 C ATOM 0 H VAL A 29 -2.432 -13.263 2.232 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.717 -12.632 0.795 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.914 -11.459 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.025 -9.446 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.253 -10.860 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.579 -10.313 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.796 -9.727 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.342 -10.604 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.857 -11.346 2.844 1.00 0.00 H new ATOM 464 N VAL A 30 -2.249 -13.767 -1.094 1.00 0.00 N ATOM 465 CA VAL A 30 -1.967 -14.314 -2.413 1.00 0.00 C ATOM 466 C VAL A 30 -2.719 -15.625 -2.613 1.00 0.00 C ATOM 467 O VAL A 30 -3.256 -15.890 -3.695 1.00 0.00 O ATOM 468 CB VAL A 30 -0.453 -14.543 -2.635 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.194 -15.092 -4.034 1.00 0.00 C ATOM 470 CG2 VAL A 30 0.318 -13.246 -2.416 1.00 0.00 C ATOM 0 H VAL A 30 -1.463 -13.785 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.305 -13.581 -3.145 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.104 -15.278 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.876 -15.247 -4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.716 -16.041 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.556 -14.381 -4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.382 -13.424 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.033 -12.491 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.158 -12.895 -1.396 1.00 0.00 H new ATOM 480 N ALA A 31 -2.780 -16.423 -1.556 1.00 0.00 N ATOM 481 CA ALA A 31 -3.462 -17.703 -1.600 1.00 0.00 C ATOM 482 C ALA A 31 -4.947 -17.533 -1.920 1.00 0.00 C ATOM 483 O ALA A 31 -5.467 -18.171 -2.836 1.00 0.00 O ATOM 484 CB ALA A 31 -3.281 -18.442 -0.282 1.00 0.00 C ATOM 0 H ALA A 31 -2.361 -16.202 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.017 -18.294 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.798 -19.401 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.219 -18.610 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.696 -17.845 0.530 1.00 0.00 H new ATOM 490 N LYS A 32 -5.620 -16.655 -1.185 1.00 0.00 N ATOM 491 CA LYS A 32 -7.048 -16.431 -1.390 1.00 0.00 C ATOM 492 C LYS A 32 -7.321 -15.792 -2.747 1.00 0.00 C ATOM 493 O LYS A 32 -8.385 -15.988 -3.330 1.00 0.00 O ATOM 494 CB LYS A 32 -7.643 -15.551 -0.281 1.00 0.00 C ATOM 495 CG LYS A 32 -7.131 -14.120 -0.277 1.00 0.00 C ATOM 496 CD LYS A 32 -7.976 -13.232 0.615 1.00 0.00 C ATOM 497 CE LYS A 32 -7.464 -11.800 0.622 1.00 0.00 C ATOM 498 NZ LYS A 32 -8.321 -10.912 1.439 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.204 -16.089 -0.446 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.528 -17.409 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.728 -15.536 -0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.424 -16.006 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.096 -14.103 0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.136 -13.727 -1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.010 -13.248 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.972 -13.626 1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.446 -11.780 1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.422 -11.424 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.938 -9.945 1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.287 -10.911 1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.341 -11.255 2.420 1.00 0.00 H new ATOM 512 N ARG A 33 -6.356 -15.034 -3.250 1.00 0.00 N ATOM 513 CA ARG A 33 -6.519 -14.353 -4.522 1.00 0.00 C ATOM 514 C ARG A 33 -6.530 -15.352 -5.667 1.00 0.00 C ATOM 515 O ARG A 33 -7.262 -15.197 -6.635 1.00 0.00 O ATOM 516 CB ARG A 33 -5.410 -13.327 -4.744 1.00 0.00 C ATOM 517 CG ARG A 33 -5.766 -12.289 -5.794 1.00 0.00 C ATOM 518 CD ARG A 33 -4.721 -11.196 -5.890 1.00 0.00 C ATOM 519 NE ARG A 33 -5.240 -10.019 -6.593 1.00 0.00 N ATOM 520 CZ ARG A 33 -4.491 -9.048 -7.111 1.00 0.00 C ATOM 521 NH1 ARG A 33 -3.173 -9.156 -7.121 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -5.067 -7.984 -7.647 1.00 0.00 N ATOM 0 H ARG A 33 -5.456 -14.877 -2.797 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.475 -13.830 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.194 -12.824 -3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.499 -13.844 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.871 -12.776 -6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.732 -11.846 -5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.398 -10.910 -4.889 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.843 -11.575 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.252 -9.938 -6.693 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.726 -9.986 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.603 -8.409 -7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.084 -7.908 -7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.494 -7.240 -8.044 1.00 0.00 H new ATOM 536 N GLN A 34 -5.715 -16.379 -5.540 1.00 0.00 N ATOM 537 CA GLN A 34 -5.606 -17.394 -6.570 1.00 0.00 C ATOM 538 C GLN A 34 -6.531 -18.573 -6.288 1.00 0.00 C ATOM 539 O GLN A 34 -6.669 -19.476 -7.111 1.00 0.00 O ATOM 540 CB GLN A 34 -4.158 -17.862 -6.684 1.00 0.00 C ATOM 541 CG GLN A 34 -3.197 -16.760 -7.111 1.00 0.00 C ATOM 542 CD GLN A 34 -3.430 -16.303 -8.540 1.00 0.00 C ATOM 543 OE1 GLN A 34 -2.864 -16.858 -9.487 1.00 0.00 O ATOM 544 NE2 GLN A 34 -4.260 -15.293 -8.708 1.00 0.00 N ATOM 0 H GLN A 34 -5.115 -16.534 -4.730 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.915 -16.955 -7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.836 -18.261 -5.722 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.104 -18.680 -7.403 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.305 -15.909 -6.439 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.172 -17.118 -7.010 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.708 -14.861 -7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.454 -14.943 -9.646 1.00 0.00 H new ATOM 553 N GLY A 35 -7.164 -18.555 -5.124 1.00 0.00 N ATOM 554 CA GLY A 35 -8.070 -19.625 -4.755 1.00 0.00 C ATOM 555 C GLY A 35 -7.332 -20.894 -4.398 1.00 0.00 C ATOM 556 O GLY A 35 -7.755 -21.994 -4.757 1.00 0.00 O ATOM 0 H GLY A 35 -7.066 -17.817 -4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.678 -19.309 -3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.753 -19.823 -5.581 1.00 0.00 H new ATOM 560 N VAL A 36 -6.224 -20.743 -3.695 1.00 0.00 N ATOM 561 CA VAL A 36 -5.408 -21.875 -3.300 1.00 0.00 C ATOM 562 C VAL A 36 -5.202 -21.885 -1.788 1.00 0.00 C ATOM 563 O VAL A 36 -5.286 -20.840 -1.136 1.00 0.00 O ATOM 564 CB VAL A 36 -4.024 -21.853 -4.007 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.188 -21.869 -5.521 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.199 -20.647 -3.566 1.00 0.00 C ATOM 0 H VAL A 36 -5.867 -19.839 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.938 -22.778 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.486 -22.754 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.206 -21.853 -5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.720 -22.772 -5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.756 -20.993 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.236 -20.658 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.732 -19.730 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.038 -20.690 -2.489 1.00 0.00 H new ATOM 576 N PRO A 37 -4.972 -23.064 -1.202 1.00 0.00 N ATOM 577 CA PRO A 37 -4.700 -23.185 0.224 1.00 0.00 C ATOM 578 C PRO A 37 -3.267 -22.761 0.565 1.00 0.00 C ATOM 579 O PRO A 37 -2.305 -23.217 -0.058 1.00 0.00 O ATOM 580 CB PRO A 37 -4.895 -24.679 0.497 1.00 0.00 C ATOM 581 CG PRO A 37 -4.580 -25.347 -0.798 1.00 0.00 C ATOM 582 CD PRO A 37 -4.981 -24.379 -1.883 1.00 0.00 C ATOM 0 HA PRO A 37 -5.345 -22.545 0.825 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.234 -25.025 1.292 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.915 -24.893 0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.519 -25.587 -0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.125 -26.286 -0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.281 -24.402 -2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.966 -24.615 -2.286 1.00 0.00 H new ATOM 590 N ALA A 38 -3.129 -21.901 1.566 1.00 0.00 N ATOM 591 CA ALA A 38 -1.815 -21.426 1.992 1.00 0.00 C ATOM 592 C ALA A 38 -1.101 -22.502 2.810 1.00 0.00 C ATOM 593 O ALA A 38 0.059 -22.346 3.202 1.00 0.00 O ATOM 594 CB ALA A 38 -1.953 -20.134 2.788 1.00 0.00 C ATOM 0 H ALA A 38 -3.909 -21.517 2.099 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.212 -21.217 1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.966 -19.791 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.422 -19.372 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.569 -20.313 3.669 1.00 0.00 H new ATOM 600 N ASP A 39 -1.816 -23.594 3.041 1.00 0.00 N ATOM 601 CA ASP A 39 -1.321 -24.744 3.792 1.00 0.00 C ATOM 602 C ASP A 39 -0.059 -25.331 3.155 1.00 0.00 C ATOM 603 O ASP A 39 0.964 -25.498 3.818 1.00 0.00 O ATOM 604 CB ASP A 39 -2.421 -25.809 3.854 1.00 0.00 C ATOM 605 CG ASP A 39 -1.981 -27.096 4.515 1.00 0.00 C ATOM 606 OD1 ASP A 39 -1.683 -27.077 5.726 1.00 0.00 O ATOM 607 OD2 ASP A 39 -1.974 -28.144 3.842 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.773 -23.710 2.707 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.058 -24.415 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.276 -25.405 4.397 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.761 -26.028 2.842 1.00 0.00 H new ATOM 612 N GLN A 40 -0.135 -25.618 1.867 1.00 0.00 N ATOM 613 CA GLN A 40 0.983 -26.216 1.138 1.00 0.00 C ATOM 614 C GLN A 40 1.576 -25.206 0.165 1.00 0.00 C ATOM 615 O GLN A 40 2.088 -25.560 -0.902 1.00 0.00 O ATOM 616 CB GLN A 40 0.500 -27.458 0.388 1.00 0.00 C ATOM 617 CG GLN A 40 -0.127 -28.509 1.290 1.00 0.00 C ATOM 618 CD GLN A 40 0.861 -29.114 2.268 1.00 0.00 C ATOM 619 OE1 GLN A 40 1.084 -28.589 3.354 1.00 0.00 O ATOM 620 NE2 GLN A 40 1.438 -30.238 1.903 1.00 0.00 N ATOM 0 H GLN A 40 -0.963 -25.447 1.296 1.00 0.00 H new ATOM 0 HA GLN A 40 1.758 -26.508 1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.228 -27.157 -0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.342 -27.902 -0.142 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.951 -28.059 1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.552 -29.302 0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.229 -30.646 0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.095 -30.702 2.531 1.00 0.00 H new ATOM 629 N LEU A 41 1.520 -23.952 0.553 1.00 0.00 N ATOM 630 CA LEU A 41 2.011 -22.867 -0.270 1.00 0.00 C ATOM 631 C LEU A 41 3.455 -22.517 0.113 1.00 0.00 C ATOM 632 O LEU A 41 3.782 -22.410 1.294 1.00 0.00 O ATOM 633 CB LEU A 41 1.092 -21.654 -0.105 1.00 0.00 C ATOM 634 CG LEU A 41 1.359 -20.475 -1.031 1.00 0.00 C ATOM 635 CD1 LEU A 41 1.184 -20.893 -2.478 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.429 -19.320 -0.696 1.00 0.00 C ATOM 0 H LEU A 41 1.133 -23.654 1.448 1.00 0.00 H new ATOM 0 HA LEU A 41 2.009 -23.173 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.063 -21.981 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.168 -21.305 0.925 1.00 0.00 H new ATOM 0 HG LEU A 41 2.388 -20.144 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.378 -20.041 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.884 -21.695 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.164 -21.244 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.631 -18.484 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.606 -19.640 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.594 -19.007 0.335 1.00 0.00 H new ATOM 648 N ARG A 42 4.305 -22.341 -0.890 1.00 0.00 N ATOM 649 CA ARG A 42 5.719 -22.040 -0.674 1.00 0.00 C ATOM 650 C ARG A 42 6.093 -20.678 -1.268 1.00 0.00 C ATOM 651 O ARG A 42 5.830 -20.409 -2.436 1.00 0.00 O ATOM 652 CB ARG A 42 6.581 -23.146 -1.312 1.00 0.00 C ATOM 653 CG ARG A 42 8.078 -22.846 -1.371 1.00 0.00 C ATOM 654 CD ARG A 42 8.701 -22.751 0.015 1.00 0.00 C ATOM 655 NE ARG A 42 8.487 -23.967 0.801 1.00 0.00 N ATOM 656 CZ ARG A 42 9.256 -25.064 0.730 1.00 0.00 C ATOM 657 NH1 ARG A 42 10.287 -25.114 -0.113 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 8.986 -26.107 1.499 1.00 0.00 N ATOM 0 H ARG A 42 4.038 -22.402 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 42 5.904 -22.000 0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.433 -24.069 -0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.222 -23.326 -2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.581 -23.627 -1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.238 -21.909 -1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.771 -22.566 -0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.276 -21.898 0.545 1.00 0.00 H new ATOM 0 HE ARG A 42 7.698 -23.981 1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.496 -24.314 -0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.867 -25.952 -0.161 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.195 -26.075 2.143 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.568 -26.943 1.448 1.00 0.00 H new ATOM 672 N VAL A 43 6.703 -19.826 -0.461 1.00 0.00 N ATOM 673 CA VAL A 43 7.140 -18.522 -0.936 1.00 0.00 C ATOM 674 C VAL A 43 8.645 -18.506 -1.189 1.00 0.00 C ATOM 675 O VAL A 43 9.432 -18.951 -0.354 1.00 0.00 O ATOM 676 CB VAL A 43 6.763 -17.373 0.045 1.00 0.00 C ATOM 677 CG1 VAL A 43 5.258 -17.207 0.121 1.00 0.00 C ATOM 678 CG2 VAL A 43 7.343 -17.615 1.436 1.00 0.00 C ATOM 0 H VAL A 43 6.906 -20.011 0.521 1.00 0.00 H new ATOM 0 HA VAL A 43 6.614 -18.347 -1.874 1.00 0.00 H new ATOM 0 HB VAL A 43 7.197 -16.452 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.015 -16.399 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.868 -16.968 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.807 -18.134 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.061 -16.794 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.953 -18.552 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.430 -17.672 1.372 1.00 0.00 H new ATOM 688 N ILE A 44 9.031 -18.025 -2.353 1.00 0.00 N ATOM 689 CA ILE A 44 10.430 -17.917 -2.714 1.00 0.00 C ATOM 690 C ILE A 44 10.781 -16.461 -2.990 1.00 0.00 C ATOM 691 O ILE A 44 10.405 -15.895 -4.018 1.00 0.00 O ATOM 692 CB ILE A 44 10.773 -18.778 -3.966 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.455 -20.263 -3.714 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.238 -18.603 -4.360 1.00 0.00 C ATOM 695 CD1 ILE A 44 11.260 -20.890 -2.588 1.00 0.00 C ATOM 0 H ILE A 44 8.387 -17.699 -3.073 1.00 0.00 H new ATOM 0 HA ILE A 44 11.017 -18.292 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 44 10.153 -18.432 -4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.394 -20.362 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.637 -20.823 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.454 -19.214 -5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.430 -17.555 -4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.877 -18.915 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.975 -21.936 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.323 -20.826 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.060 -20.358 -1.658 1.00 0.00 H new ATOM 707 N PHE A 45 11.470 -15.854 -2.059 1.00 0.00 N ATOM 708 CA PHE A 45 11.872 -14.477 -2.190 1.00 0.00 C ATOM 709 C PHE A 45 13.383 -14.393 -2.212 1.00 0.00 C ATOM 710 O PHE A 45 14.037 -14.731 -1.231 1.00 0.00 O ATOM 711 CB PHE A 45 11.306 -13.657 -1.033 1.00 0.00 C ATOM 712 CG PHE A 45 11.573 -12.186 -1.139 1.00 0.00 C ATOM 713 CD1 PHE A 45 10.844 -11.402 -2.011 1.00 0.00 C ATOM 714 CD2 PHE A 45 12.549 -11.586 -0.359 1.00 0.00 C ATOM 715 CE1 PHE A 45 11.077 -10.051 -2.106 1.00 0.00 C ATOM 716 CE2 PHE A 45 12.789 -10.232 -0.450 1.00 0.00 C ATOM 717 CZ PHE A 45 12.051 -9.463 -1.324 1.00 0.00 C ATOM 0 H PHE A 45 11.768 -16.299 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 45 11.482 -14.070 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.229 -13.817 -0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.729 -14.026 -0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.081 -11.856 -2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.128 -12.186 0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.499 -9.450 -2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.553 -9.775 0.162 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.235 -8.401 -1.397 1.00 0.00 H new ATOM 727 N ALA A 46 13.936 -13.985 -3.352 1.00 0.00 N ATOM 728 CA ALA A 46 15.387 -13.871 -3.526 1.00 0.00 C ATOM 729 C ALA A 46 16.070 -15.237 -3.410 1.00 0.00 C ATOM 730 O ALA A 46 17.286 -15.326 -3.248 1.00 0.00 O ATOM 731 CB ALA A 46 15.982 -12.880 -2.526 1.00 0.00 C ATOM 0 H ALA A 46 13.397 -13.725 -4.178 1.00 0.00 H new ATOM 0 HA ALA A 46 15.570 -13.491 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.060 -12.814 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.534 -11.898 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.778 -13.220 -1.511 1.00 0.00 H new ATOM 737 N GLY A 47 15.277 -16.298 -3.507 1.00 0.00 N ATOM 738 CA GLY A 47 15.816 -17.641 -3.422 1.00 0.00 C ATOM 739 C GLY A 47 15.605 -18.280 -2.061 1.00 0.00 C ATOM 740 O GLY A 47 15.959 -19.445 -1.855 1.00 0.00 O ATOM 0 H GLY A 47 14.267 -16.251 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.349 -18.263 -4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.883 -17.613 -3.643 1.00 0.00 H new ATOM 744 N LYS A 48 15.026 -17.532 -1.137 1.00 0.00 N ATOM 745 CA LYS A 48 14.789 -18.035 0.211 1.00 0.00 C ATOM 746 C LYS A 48 13.382 -17.693 0.693 1.00 0.00 C ATOM 747 O LYS A 48 12.732 -16.802 0.149 1.00 0.00 O ATOM 748 CB LYS A 48 15.863 -17.489 1.186 1.00 0.00 C ATOM 749 CG LYS A 48 16.107 -15.974 1.098 1.00 0.00 C ATOM 750 CD LYS A 48 15.005 -15.170 1.779 1.00 0.00 C ATOM 751 CE LYS A 48 15.156 -13.674 1.523 1.00 0.00 C ATOM 752 NZ LYS A 48 16.428 -13.137 2.055 1.00 0.00 N1+ ATOM 0 H LYS A 48 14.711 -16.575 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 48 14.867 -19.122 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.566 -17.736 2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.803 -18.005 0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.066 -15.735 1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.175 -15.679 0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.033 -15.505 1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.027 -15.359 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.105 -13.485 0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.321 -13.144 1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.454 -12.106 1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.498 -13.353 3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.227 -13.574 1.552 1.00 0.00 H new ATOM 766 N GLU A 49 12.909 -18.417 1.686 1.00 0.00 N ATOM 767 CA GLU A 49 11.607 -18.146 2.267 1.00 0.00 C ATOM 768 C GLU A 49 11.730 -17.003 3.269 1.00 0.00 C ATOM 769 O GLU A 49 12.834 -16.681 3.714 1.00 0.00 O ATOM 770 CB GLU A 49 11.041 -19.395 2.968 1.00 0.00 C ATOM 771 CG GLU A 49 11.173 -20.690 2.168 1.00 0.00 C ATOM 772 CD GLU A 49 12.475 -21.422 2.445 1.00 0.00 C ATOM 773 OE1 GLU A 49 13.517 -21.041 1.874 1.00 0.00 O ATOM 774 OE2 GLU A 49 12.462 -22.373 3.247 1.00 0.00 O1- ATOM 0 H GLU A 49 13.407 -19.200 2.110 1.00 0.00 H new ATOM 0 HA GLU A 49 10.921 -17.867 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.550 -19.521 3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.987 -19.225 3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.335 -21.346 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.108 -20.463 1.104 1.00 0.00 H new ATOM 781 N LEU A 50 10.621 -16.393 3.625 1.00 0.00 N ATOM 782 CA LEU A 50 10.648 -15.286 4.570 1.00 0.00 C ATOM 783 C LEU A 50 10.068 -15.687 5.904 1.00 0.00 C ATOM 784 O LEU A 50 9.415 -16.723 6.026 1.00 0.00 O ATOM 785 CB LEU A 50 9.883 -14.081 4.032 1.00 0.00 C ATOM 786 CG LEU A 50 10.433 -13.458 2.760 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.576 -12.284 2.333 1.00 0.00 C ATOM 788 CD2 LEU A 50 11.876 -13.024 2.959 1.00 0.00 C ATOM 0 H LEU A 50 9.693 -16.638 3.280 1.00 0.00 H new ATOM 0 HA LEU A 50 11.694 -15.013 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.852 -14.382 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.859 -13.315 4.807 1.00 0.00 H new ATOM 0 HG LEU A 50 10.408 -14.208 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.983 -11.849 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.557 -12.625 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.570 -11.532 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.253 -12.580 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.928 -12.290 3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.484 -13.890 3.219 1.00 0.00 H new ATOM 800 N ARG A 51 10.306 -14.861 6.899 1.00 0.00 N ATOM 801 CA ARG A 51 9.789 -15.103 8.219 1.00 0.00 C ATOM 802 C ARG A 51 8.349 -14.605 8.324 1.00 0.00 C ATOM 803 O ARG A 51 8.075 -13.406 8.224 1.00 0.00 O ATOM 804 CB ARG A 51 10.699 -14.470 9.282 1.00 0.00 C ATOM 805 CG ARG A 51 10.879 -12.962 9.164 1.00 0.00 C ATOM 806 CD ARG A 51 12.304 -12.564 9.499 1.00 0.00 C ATOM 807 NE ARG A 51 12.438 -11.135 9.797 1.00 0.00 N ATOM 808 CZ ARG A 51 12.983 -10.238 8.966 1.00 0.00 C ATOM 809 NH1 ARG A 51 13.332 -10.591 7.732 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 13.162 -8.982 9.366 1.00 0.00 N ATOM 0 H ARG A 51 10.860 -14.009 6.813 1.00 0.00 H new ATOM 0 HA ARG A 51 9.778 -16.177 8.405 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.292 -14.696 10.268 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.680 -14.943 9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.635 -12.640 8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.187 -12.454 9.836 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.646 -13.143 10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.954 -12.819 8.662 1.00 0.00 H new ATOM 0 HE ARG A 51 12.093 -10.802 10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.185 -11.549 7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.747 -9.904 7.103 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.884 -8.702 10.307 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.577 -8.299 8.732 1.00 0.00 H new ATOM 824 N ASN A 52 7.438 -15.543 8.518 1.00 0.00 N ATOM 825 CA ASN A 52 5.998 -15.264 8.591 1.00 0.00 C ATOM 826 C ASN A 52 5.637 -14.322 9.742 1.00 0.00 C ATOM 827 O ASN A 52 4.542 -13.768 9.776 1.00 0.00 O ATOM 828 CB ASN A 52 5.215 -16.582 8.731 1.00 0.00 C ATOM 829 CG ASN A 52 5.662 -17.410 9.930 1.00 0.00 C ATOM 830 OD1 ASN A 52 6.577 -18.227 9.822 1.00 0.00 O ATOM 831 ND2 ASN A 52 5.022 -17.213 11.067 1.00 0.00 N ATOM 0 H ASN A 52 7.670 -16.530 8.631 1.00 0.00 H new ATOM 0 HA ASN A 52 5.722 -14.761 7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.152 -16.360 8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.338 -17.171 7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.280 -17.747 11.897 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.269 -16.527 11.116 1.00 0.00 H new ATOM 838 N ASP A 53 6.563 -14.128 10.656 1.00 0.00 N ATOM 839 CA ASP A 53 6.305 -13.323 11.843 1.00 0.00 C ATOM 840 C ASP A 53 6.563 -11.839 11.617 1.00 0.00 C ATOM 841 O ASP A 53 6.213 -11.017 12.463 1.00 0.00 O ATOM 842 CB ASP A 53 7.165 -13.808 13.014 1.00 0.00 C ATOM 843 CG ASP A 53 6.830 -15.213 13.453 1.00 0.00 C ATOM 844 OD1 ASP A 53 5.845 -15.388 14.203 1.00 0.00 O ATOM 845 OD2 ASP A 53 7.559 -16.152 13.065 1.00 0.00 O1- ATOM 0 H ASP A 53 7.505 -14.515 10.605 1.00 0.00 H new ATOM 0 HA ASP A 53 5.247 -13.446 12.074 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.216 -13.764 12.728 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.036 -13.130 13.857 1.00 0.00 H new ATOM 850 N TRP A 54 7.152 -11.478 10.491 1.00 0.00 N ATOM 851 CA TRP A 54 7.508 -10.086 10.285 1.00 0.00 C ATOM 852 C TRP A 54 6.712 -9.421 9.156 1.00 0.00 C ATOM 853 O TRP A 54 6.040 -10.094 8.369 1.00 0.00 O ATOM 854 CB TRP A 54 9.014 -9.941 10.073 1.00 0.00 C ATOM 855 CG TRP A 54 9.506 -8.551 10.321 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.300 -7.805 9.509 1.00 0.00 C ATOM 857 CD2 TRP A 54 9.204 -7.728 11.457 1.00 0.00 C ATOM 858 NE1 TRP A 54 10.527 -6.580 10.077 1.00 0.00 N ATOM 859 CE2 TRP A 54 9.860 -6.505 11.266 1.00 0.00 C ATOM 860 CE3 TRP A 54 8.443 -7.910 12.620 1.00 0.00 C ATOM 861 CZ2 TRP A 54 9.782 -5.468 12.185 1.00 0.00 C ATOM 862 CZ3 TRP A 54 8.366 -6.878 13.529 1.00 0.00 C ATOM 863 CH2 TRP A 54 9.030 -5.671 13.307 1.00 0.00 C ATOM 0 H TRP A 54 7.389 -12.109 9.725 1.00 0.00 H new ATOM 0 HA TRP A 54 7.233 -9.552 11.195 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.537 -10.630 10.736 1.00 0.00 H new ATOM 0 HB3 TRP A 54 9.262 -10.232 9.052 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.694 -8.130 8.557 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.103 -5.840 9.675 1.00 0.00 H new ATOM 0 HE3 TRP A 54 7.927 -8.842 12.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.298 -4.534 12.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 7.782 -7.005 14.429 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.948 -4.880 14.038 1.00 0.00 H new ATOM 874 N THR A 55 6.804 -8.089 9.098 1.00 0.00 N ATOM 875 CA THR A 55 6.072 -7.273 8.144 1.00 0.00 C ATOM 876 C THR A 55 6.687 -7.340 6.747 1.00 0.00 C ATOM 877 O THR A 55 7.890 -7.549 6.590 1.00 0.00 O ATOM 878 CB THR A 55 6.031 -5.796 8.606 1.00 0.00 C ATOM 879 OG1 THR A 55 7.363 -5.261 8.648 1.00 0.00 O ATOM 880 CG2 THR A 55 5.410 -5.685 9.992 1.00 0.00 C ATOM 0 H THR A 55 7.399 -7.547 9.724 1.00 0.00 H new ATOM 0 HA THR A 55 5.060 -7.674 8.097 1.00 0.00 H new ATOM 0 HB THR A 55 5.426 -5.232 7.896 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.331 -4.326 8.939 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.390 -4.639 10.299 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.393 -6.075 9.967 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.002 -6.261 10.703 1.00 0.00 H new ATOM 888 N VAL A 56 5.852 -7.141 5.741 1.00 0.00 N ATOM 889 CA VAL A 56 6.277 -7.185 4.356 1.00 0.00 C ATOM 890 C VAL A 56 7.095 -5.941 3.986 1.00 0.00 C ATOM 891 O VAL A 56 7.946 -5.982 3.091 1.00 0.00 O ATOM 892 CB VAL A 56 5.051 -7.312 3.406 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.140 -6.098 3.510 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.492 -7.535 1.974 1.00 0.00 C ATOM 0 H VAL A 56 4.859 -6.944 5.864 1.00 0.00 H new ATOM 0 HA VAL A 56 6.911 -8.064 4.236 1.00 0.00 H new ATOM 0 HB VAL A 56 4.479 -8.184 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.294 -6.219 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.776 -6.003 4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.697 -5.201 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.615 -7.620 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.102 -6.693 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.077 -8.452 1.912 1.00 0.00 H new ATOM 904 N GLN A 57 6.847 -4.848 4.696 1.00 0.00 N ATOM 905 CA GLN A 57 7.522 -3.590 4.426 1.00 0.00 C ATOM 906 C GLN A 57 9.013 -3.687 4.704 1.00 0.00 C ATOM 907 O GLN A 57 9.836 -3.327 3.863 1.00 0.00 O ATOM 908 CB GLN A 57 6.912 -2.470 5.261 1.00 0.00 C ATOM 909 CG GLN A 57 7.561 -1.113 5.043 1.00 0.00 C ATOM 910 CD GLN A 57 7.011 -0.056 5.975 1.00 0.00 C ATOM 911 OE1 GLN A 57 6.594 -0.355 7.093 1.00 0.00 O ATOM 912 NE2 GLN A 57 7.000 1.177 5.526 1.00 0.00 N ATOM 0 H GLN A 57 6.180 -4.810 5.466 1.00 0.00 H new ATOM 0 HA GLN A 57 7.388 -3.365 3.368 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.850 -2.395 5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.990 -2.733 6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.637 -1.200 5.191 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.405 -0.800 4.011 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.355 1.383 4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.636 1.929 6.111 1.00 0.00 H new ATOM 921 N ASN A 58 9.358 -4.194 5.875 1.00 0.00 N ATOM 922 CA ASN A 58 10.754 -4.271 6.286 1.00 0.00 C ATOM 923 C ASN A 58 11.478 -5.447 5.615 1.00 0.00 C ATOM 924 O ASN A 58 12.708 -5.524 5.631 1.00 0.00 O ATOM 925 CB ASN A 58 10.852 -4.363 7.808 1.00 0.00 C ATOM 926 CG ASN A 58 12.277 -4.234 8.333 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.622 -4.830 9.349 1.00 0.00 O ATOM 928 ND2 ASN A 58 13.101 -3.449 7.662 1.00 0.00 N ATOM 0 H ASN A 58 8.694 -4.558 6.558 1.00 0.00 H new ATOM 0 HA ASN A 58 11.252 -3.358 5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.237 -3.580 8.252 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.438 -5.317 8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.060 -3.322 7.984 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.778 -2.970 6.821 1.00 0.00 H new ATOM 935 N CYS A 59 10.720 -6.355 5.027 1.00 0.00 N ATOM 936 CA CYS A 59 11.318 -7.468 4.303 1.00 0.00 C ATOM 937 C CYS A 59 11.720 -7.025 2.889 1.00 0.00 C ATOM 938 O CYS A 59 12.429 -7.741 2.178 1.00 0.00 O ATOM 939 CB CYS A 59 10.370 -8.666 4.260 1.00 0.00 C ATOM 940 SG CYS A 59 10.017 -9.386 5.881 1.00 0.00 S ATOM 0 H CYS A 59 9.700 -6.347 5.034 1.00 0.00 H new ATOM 0 HA CYS A 59 12.218 -7.783 4.832 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.432 -8.357 3.799 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.802 -9.435 3.619 1.00 0.00 H new ATOM 0 HG CYS A 59 9.298 -8.556 6.577 1.00 0.00 H new ATOM 946 N ASP A 60 11.251 -5.826 2.506 1.00 0.00 N ATOM 947 CA ASP A 60 11.605 -5.181 1.228 1.00 0.00 C ATOM 948 C ASP A 60 11.166 -5.968 -0.007 1.00 0.00 C ATOM 949 O ASP A 60 11.952 -6.169 -0.928 1.00 0.00 O ATOM 950 CB ASP A 60 13.110 -4.889 1.151 1.00 0.00 C ATOM 951 CG ASP A 60 13.509 -3.636 1.895 1.00 0.00 C ATOM 952 OD1 ASP A 60 13.450 -2.542 1.295 1.00 0.00 O ATOM 953 OD2 ASP A 60 13.903 -3.732 3.076 1.00 0.00 O1- ATOM 0 H ASP A 60 10.612 -5.273 3.077 1.00 0.00 H new ATOM 0 HA ASP A 60 11.048 -4.244 1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.660 -5.737 1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.402 -4.792 0.105 1.00 0.00 H new ATOM 958 N LEU A 61 9.901 -6.364 -0.052 1.00 0.00 N ATOM 959 CA LEU A 61 9.381 -7.094 -1.221 1.00 0.00 C ATOM 960 C LEU A 61 9.037 -6.135 -2.357 1.00 0.00 C ATOM 961 O LEU A 61 8.617 -6.551 -3.438 1.00 0.00 O ATOM 962 CB LEU A 61 8.155 -7.955 -0.862 1.00 0.00 C ATOM 963 CG LEU A 61 8.433 -9.224 -0.043 1.00 0.00 C ATOM 964 CD1 LEU A 61 8.868 -8.883 1.361 1.00 0.00 C ATOM 965 CD2 LEU A 61 7.216 -10.131 -0.018 1.00 0.00 C ATOM 0 H LEU A 61 9.219 -6.200 0.689 1.00 0.00 H new ATOM 0 HA LEU A 61 10.173 -7.764 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.452 -7.335 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.659 -8.247 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 61 9.249 -9.759 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.057 -9.802 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.779 -8.286 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.082 -8.314 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.439 -11.023 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.376 -9.601 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.958 -10.422 -1.036 1.00 0.00 H new ATOM 977 N ASP A 62 9.217 -4.857 -2.100 1.00 0.00 N ATOM 978 CA ASP A 62 8.946 -3.827 -3.086 1.00 0.00 C ATOM 979 C ASP A 62 10.188 -3.518 -3.910 1.00 0.00 C ATOM 980 O ASP A 62 10.115 -3.342 -5.127 1.00 0.00 O ATOM 981 CB ASP A 62 8.440 -2.549 -2.392 1.00 0.00 C ATOM 982 CG ASP A 62 8.455 -1.323 -3.296 1.00 0.00 C ATOM 983 OD1 ASP A 62 7.469 -1.097 -4.024 1.00 0.00 O ATOM 984 OD2 ASP A 62 9.451 -0.570 -3.267 1.00 0.00 O1- ATOM 0 H ASP A 62 9.554 -4.501 -1.205 1.00 0.00 H new ATOM 0 HA ASP A 62 8.174 -4.197 -3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.423 -2.716 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.057 -2.352 -1.515 1.00 0.00 H new ATOM 989 N GLN A 63 11.334 -3.485 -3.254 1.00 0.00 N ATOM 990 CA GLN A 63 12.562 -3.095 -3.926 1.00 0.00 C ATOM 991 C GLN A 63 13.498 -4.277 -4.198 1.00 0.00 C ATOM 992 O GLN A 63 14.252 -4.263 -5.175 1.00 0.00 O ATOM 993 CB GLN A 63 13.281 -2.014 -3.122 1.00 0.00 C ATOM 994 CG GLN A 63 14.437 -1.368 -3.859 1.00 0.00 C ATOM 995 CD GLN A 63 14.971 -0.152 -3.143 1.00 0.00 C ATOM 996 OE1 GLN A 63 15.878 -0.250 -2.321 1.00 0.00 O ATOM 997 NE2 GLN A 63 14.409 1.002 -3.445 1.00 0.00 N ATOM 0 H GLN A 63 11.441 -3.721 -2.267 1.00 0.00 H new ATOM 0 HA GLN A 63 12.278 -2.696 -4.900 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.563 -1.242 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.652 -2.451 -2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.239 -2.096 -3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.112 -1.083 -4.860 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.658 1.039 -4.134 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.725 1.858 -2.989 1.00 0.00 H new ATOM 1006 N GLN A 64 13.457 -5.292 -3.355 1.00 0.00 N ATOM 1007 CA GLN A 64 14.347 -6.431 -3.530 1.00 0.00 C ATOM 1008 C GLN A 64 13.737 -7.492 -4.438 1.00 0.00 C ATOM 1009 O GLN A 64 13.127 -8.444 -3.968 1.00 0.00 O ATOM 1010 CB GLN A 64 14.744 -7.037 -2.180 1.00 0.00 C ATOM 1011 CG GLN A 64 15.552 -6.098 -1.303 1.00 0.00 C ATOM 1012 CD GLN A 64 16.868 -5.695 -1.936 1.00 0.00 C ATOM 1013 OE1 GLN A 64 17.474 -6.463 -2.691 1.00 0.00 O ATOM 1014 NE2 GLN A 64 17.315 -4.490 -1.644 1.00 0.00 N ATOM 0 H GLN A 64 12.829 -5.355 -2.554 1.00 0.00 H new ATOM 0 HA GLN A 64 15.249 -6.060 -4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.841 -7.333 -1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.322 -7.944 -2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.964 -5.204 -1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.747 -6.580 -0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.784 -3.887 -1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.192 -4.160 -2.046 1.00 0.00 H new ATOM 1037 N ILE A 66 11.371 -9.416 -7.349 1.00 0.00 N ATOM 1038 CA ILE A 66 9.953 -9.699 -7.346 1.00 0.00 C ATOM 1039 C ILE A 66 9.712 -11.000 -6.580 1.00 0.00 C ATOM 1040 O ILE A 66 10.592 -11.866 -6.523 1.00 0.00 O ATOM 1041 CB ILE A 66 9.376 -9.792 -8.801 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.852 -9.832 -8.787 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.907 -11.005 -9.532 1.00 0.00 C ATOM 1044 CD1 ILE A 66 7.228 -9.885 -10.168 1.00 0.00 C ATOM 0 HA ILE A 66 9.431 -8.879 -6.854 1.00 0.00 H new ATOM 0 HB ILE A 66 9.703 -8.896 -9.330 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.526 -10.702 -8.218 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.480 -8.951 -8.264 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.486 -11.037 -10.537 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.993 -10.945 -9.595 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.625 -11.908 -8.991 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.142 -9.911 -10.076 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.523 -9.002 -10.735 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.570 -10.780 -10.688 1.00 0.00 H new ATOM 1056 N VAL A 67 8.549 -11.130 -5.983 1.00 0.00 N ATOM 1057 CA VAL A 67 8.231 -12.298 -5.174 1.00 0.00 C ATOM 1058 C VAL A 67 7.797 -13.461 -6.057 1.00 0.00 C ATOM 1059 O VAL A 67 7.017 -13.281 -6.974 1.00 0.00 O ATOM 1060 CB VAL A 67 7.095 -11.982 -4.178 1.00 0.00 C ATOM 1061 CG1 VAL A 67 6.961 -13.085 -3.136 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.318 -10.631 -3.518 1.00 0.00 C ATOM 0 H VAL A 67 7.800 -10.440 -6.040 1.00 0.00 H new ATOM 0 HA VAL A 67 9.132 -12.571 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 67 6.159 -11.935 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.154 -12.838 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.738 -14.029 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.895 -13.178 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.506 -10.429 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.265 -10.641 -2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.343 -9.853 -4.281 1.00 0.00 H new ATOM 1072 N HIS A 68 8.322 -14.645 -5.789 1.00 0.00 N ATOM 1073 CA HIS A 68 7.940 -15.843 -6.535 1.00 0.00 C ATOM 1074 C HIS A 68 7.294 -16.853 -5.603 1.00 0.00 C ATOM 1075 O HIS A 68 7.936 -17.368 -4.701 1.00 0.00 O ATOM 1076 CB HIS A 68 9.156 -16.477 -7.235 1.00 0.00 C ATOM 1077 CG HIS A 68 9.585 -15.778 -8.497 1.00 0.00 C ATOM 1078 ND1 HIS A 68 9.936 -16.488 -9.622 1.00 0.00 N ATOM 1079 CD2 HIS A 68 9.721 -14.457 -8.752 1.00 0.00 C ATOM 1080 CE1 HIS A 68 10.279 -15.586 -10.524 1.00 0.00 C ATOM 1081 NE2 HIS A 68 10.164 -14.348 -10.044 1.00 0.00 N ATOM 0 H HIS A 68 9.016 -14.807 -5.059 1.00 0.00 H new ATOM 0 HA HIS A 68 7.223 -15.548 -7.302 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.994 -16.489 -6.539 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.923 -17.515 -7.471 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.519 -13.645 -8.069 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.611 -15.822 -11.524 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.367 -13.483 -10.544 1.00 0.00 H new ATOM 1089 N ILE A 69 6.028 -17.122 -5.808 1.00 0.00 N ATOM 1090 CA ILE A 69 5.319 -18.054 -4.962 1.00 0.00 C ATOM 1091 C ILE A 69 4.947 -19.325 -5.723 1.00 0.00 C ATOM 1092 O ILE A 69 4.345 -19.278 -6.800 1.00 0.00 O ATOM 1093 CB ILE A 69 4.066 -17.402 -4.334 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.482 -16.198 -3.479 1.00 0.00 C ATOM 1095 CG2 ILE A 69 3.299 -18.413 -3.498 1.00 0.00 C ATOM 1096 CD1 ILE A 69 3.344 -15.550 -2.724 1.00 0.00 C ATOM 0 H ILE A 69 5.466 -16.710 -6.553 1.00 0.00 H new ATOM 0 HA ILE A 69 5.992 -18.335 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 69 3.409 -17.058 -5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.241 -16.519 -2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.946 -15.452 -4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.421 -17.935 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.985 -19.244 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.940 -18.786 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.724 -14.708 -2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.594 -15.195 -3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.893 -16.279 -2.051 1.00 0.00 H new ATOM 1108 N VAL A 70 5.318 -20.457 -5.150 1.00 0.00 N ATOM 1109 CA VAL A 70 5.085 -21.755 -5.751 1.00 0.00 C ATOM 1110 C VAL A 70 4.169 -22.583 -4.853 1.00 0.00 C ATOM 1111 O VAL A 70 4.324 -22.582 -3.638 1.00 0.00 O ATOM 1112 CB VAL A 70 6.426 -22.515 -5.941 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.220 -23.822 -6.684 1.00 0.00 C ATOM 1114 CG2 VAL A 70 7.444 -21.642 -6.661 1.00 0.00 C ATOM 0 H VAL A 70 5.793 -20.499 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 70 4.616 -21.605 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 70 6.815 -22.753 -4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.178 -24.329 -6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.539 -24.458 -6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.795 -23.619 -7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.376 -22.195 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.056 -21.363 -7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.630 -20.742 -6.075 1.00 0.00 H new ATOM 1124 N GLN A 71 3.213 -23.275 -5.439 1.00 0.00 N ATOM 1125 CA GLN A 71 2.315 -24.102 -4.656 1.00 0.00 C ATOM 1126 C GLN A 71 2.631 -25.574 -4.853 1.00 0.00 C ATOM 1127 O GLN A 71 2.649 -26.070 -5.981 1.00 0.00 O ATOM 1128 CB GLN A 71 0.856 -23.839 -5.025 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.128 -24.636 -4.179 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.559 -24.543 -4.672 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.496 -24.611 -3.886 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -1.736 -24.411 -5.972 1.00 0.00 N ATOM 0 H GLN A 71 3.038 -23.283 -6.444 1.00 0.00 H new ATOM 0 HA GLN A 71 2.462 -23.841 -3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.645 -22.776 -4.912 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.704 -24.084 -6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.178 -25.682 -4.168 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.082 -24.280 -3.150 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.929 -24.358 -6.594 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.680 -24.362 -6.356 1.00 0.00 H new