USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 414 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 160:sc= -0.106 (180deg=-0.5) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.3 (180deg=1.28) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.325 K(o=0.33,f=-5.6!) USER MOD Single : A 9 GLN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.033) USER MOD Single : A 14 SER OG : rot 120:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 137:sc= -0.587 (180deg=-1.37) USER MOD Single : A 22 THR OG1 : rot 70:sc= 1.19 USER MOD Single : A 26 CYS SG : rot 25:sc= -0.645 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.0179 K(o=0.018,f=-5.6!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= 0.544 (180deg=0.0842) USER MOD Single : A 48 THR OG1 : rot 68:sc= 1.24 USER MOD Single : A 51 THR OG1 : rot -2:sc= 0.277 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.697 10.815 -0.807 1.00 0.00 N ATOM 2 CA MET A 1 7.080 9.789 -1.798 1.00 0.00 C ATOM 3 C MET A 1 5.933 9.562 -2.809 1.00 0.00 C ATOM 4 O MET A 1 4.793 9.258 -2.426 1.00 0.00 O ATOM 5 CB MET A 1 7.494 8.467 -1.083 1.00 0.00 C ATOM 6 CG MET A 1 6.409 7.766 -0.243 1.00 0.00 C ATOM 7 SD MET A 1 7.057 6.356 0.685 1.00 0.00 S ATOM 8 CE MET A 1 8.183 7.132 1.846 1.00 0.00 C ATOM 0 H1 MET A 1 7.442 10.896 -0.086 1.00 0.00 H new ATOM 0 H2 MET A 1 6.576 11.731 -1.285 1.00 0.00 H new ATOM 0 H3 MET A 1 5.803 10.541 -0.352 1.00 0.00 H new ATOM 0 HA MET A 1 7.946 10.142 -2.358 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.844 7.766 -1.840 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.342 8.683 -0.432 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.971 8.483 0.451 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.608 7.428 -0.900 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.368 6.456 2.681 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.125 7.356 1.345 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.742 8.056 2.219 1.00 0.00 H new ATOM 20 N LEU A 2 6.241 9.752 -4.096 1.00 0.00 N ATOM 21 CA LEU A 2 5.293 9.565 -5.198 1.00 0.00 C ATOM 22 C LEU A 2 5.310 8.075 -5.585 1.00 0.00 C ATOM 23 O LEU A 2 6.285 7.583 -6.157 1.00 0.00 O ATOM 24 CB LEU A 2 5.696 10.511 -6.380 1.00 0.00 C ATOM 25 CG LEU A 2 4.664 10.711 -7.554 1.00 0.00 C ATOM 26 CD1 LEU A 2 5.024 11.959 -8.392 1.00 0.00 C ATOM 27 CD2 LEU A 2 4.566 9.480 -8.478 1.00 0.00 C ATOM 0 H LEU A 2 7.168 10.044 -4.405 1.00 0.00 H new ATOM 0 HA LEU A 2 4.274 9.828 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.919 11.492 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.622 10.131 -6.811 1.00 0.00 H new ATOM 0 HG LEU A 2 3.690 10.850 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.299 12.078 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.007 12.843 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.020 11.837 -8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.841 9.675 -9.268 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.541 9.280 -8.922 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.247 8.614 -7.898 1.00 0.00 H new ATOM 39 N VAL A 3 4.233 7.370 -5.227 1.00 0.00 N ATOM 40 CA VAL A 3 4.039 5.931 -5.521 1.00 0.00 C ATOM 41 C VAL A 3 2.791 5.752 -6.403 1.00 0.00 C ATOM 42 O VAL A 3 1.966 6.657 -6.484 1.00 0.00 O ATOM 43 CB VAL A 3 3.886 5.098 -4.191 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.190 5.112 -3.372 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.707 5.621 -3.337 1.00 0.00 C ATOM 0 H VAL A 3 3.453 7.782 -4.715 1.00 0.00 H new ATOM 0 HA VAL A 3 4.917 5.562 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 3 3.672 4.067 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.054 4.529 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.996 4.677 -3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.445 6.139 -3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.626 5.027 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.882 6.665 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.781 5.540 -3.907 1.00 0.00 H new ATOM 55 N THR A 4 2.659 4.597 -7.069 1.00 0.00 N ATOM 56 CA THR A 4 1.480 4.273 -7.896 1.00 0.00 C ATOM 57 C THR A 4 0.465 3.479 -7.062 1.00 0.00 C ATOM 58 O THR A 4 0.636 2.282 -6.839 1.00 0.00 O ATOM 59 CB THR A 4 1.902 3.462 -9.166 1.00 0.00 C ATOM 60 OG1 THR A 4 2.846 4.230 -9.920 1.00 0.00 O ATOM 61 CG2 THR A 4 0.700 3.112 -10.061 1.00 0.00 C ATOM 0 H THR A 4 3.363 3.859 -7.052 1.00 0.00 H new ATOM 0 HA THR A 4 1.017 5.202 -8.228 1.00 0.00 H new ATOM 0 HB THR A 4 2.345 2.525 -8.830 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.116 3.726 -10.716 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.044 2.550 -10.929 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.011 2.509 -9.496 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.214 4.030 -10.393 1.00 0.00 H new ATOM 69 N ILE A 5 -0.588 4.157 -6.590 1.00 0.00 N ATOM 70 CA ILE A 5 -1.630 3.527 -5.761 1.00 0.00 C ATOM 71 C ILE A 5 -2.859 3.198 -6.634 1.00 0.00 C ATOM 72 O ILE A 5 -3.561 4.108 -7.098 1.00 0.00 O ATOM 73 CB ILE A 5 -2.027 4.422 -4.526 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.766 4.672 -3.641 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.169 3.771 -3.699 1.00 0.00 C ATOM 76 CD1 ILE A 5 -0.992 5.565 -2.438 1.00 0.00 C ATOM 0 H ILE A 5 -0.744 5.149 -6.768 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.226 2.601 -5.353 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.402 5.378 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.388 3.710 -3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.013 5.115 -4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.419 4.414 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.048 3.643 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.843 2.798 -3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.058 5.678 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.337 6.544 -2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.744 5.117 -1.788 1.00 0.00 H new ATOM 88 N ASN A 6 -3.051 1.881 -6.899 1.00 0.00 N ATOM 89 CA ASN A 6 -4.203 1.325 -7.652 1.00 0.00 C ATOM 90 C ASN A 6 -4.177 1.720 -9.140 1.00 0.00 C ATOM 91 O ASN A 6 -5.207 1.656 -9.825 1.00 0.00 O ATOM 92 CB ASN A 6 -5.557 1.720 -6.992 1.00 0.00 C ATOM 93 CG ASN A 6 -5.798 1.024 -5.663 1.00 0.00 C ATOM 94 OD1 ASN A 6 -5.421 1.516 -4.602 1.00 0.00 O ATOM 95 ND2 ASN A 6 -6.411 -0.142 -5.708 1.00 0.00 N ATOM 0 H ASN A 6 -2.397 1.163 -6.589 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.109 0.240 -7.609 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.579 2.799 -6.839 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.371 1.478 -7.675 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.584 -0.661 -4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.713 -0.525 -6.604 1.00 0.00 H new ATOM 102 N GLY A 7 -2.984 2.069 -9.645 1.00 0.00 N ATOM 103 CA GLY A 7 -2.825 2.520 -11.034 1.00 0.00 C ATOM 104 C GLY A 7 -2.925 4.025 -11.174 1.00 0.00 C ATOM 105 O GLY A 7 -2.900 4.553 -12.288 1.00 0.00 O ATOM 0 H GLY A 7 -2.115 2.047 -9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.858 2.187 -11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.588 2.050 -11.654 1.00 0.00 H new ATOM 109 N GLU A 8 -3.036 4.717 -10.029 1.00 0.00 N ATOM 110 CA GLU A 8 -3.083 6.184 -9.953 1.00 0.00 C ATOM 111 C GLU A 8 -1.898 6.666 -9.102 1.00 0.00 C ATOM 112 O GLU A 8 -1.861 6.404 -7.893 1.00 0.00 O ATOM 113 CB GLU A 8 -4.429 6.640 -9.317 1.00 0.00 C ATOM 114 CG GLU A 8 -5.695 6.198 -10.080 1.00 0.00 C ATOM 115 CD GLU A 8 -6.986 6.644 -9.370 1.00 0.00 C ATOM 116 OE1 GLU A 8 -7.429 7.783 -9.585 1.00 0.00 O ATOM 117 OE2 GLU A 8 -7.542 5.867 -8.570 1.00 0.00 O ATOM 0 H GLU A 8 -3.096 4.265 -9.117 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.016 6.614 -10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.482 6.252 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.429 7.728 -9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.674 6.614 -11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.695 5.113 -10.183 1.00 0.00 H new ATOM 124 N GLN A 9 -0.916 7.347 -9.735 1.00 0.00 N ATOM 125 CA GLN A 9 0.232 7.921 -9.018 1.00 0.00 C ATOM 126 C GLN A 9 -0.250 8.950 -7.972 1.00 0.00 C ATOM 127 O GLN A 9 -0.780 10.007 -8.320 1.00 0.00 O ATOM 128 CB GLN A 9 1.248 8.582 -9.986 1.00 0.00 C ATOM 129 CG GLN A 9 1.995 7.598 -10.907 1.00 0.00 C ATOM 130 CD GLN A 9 3.109 8.242 -11.746 1.00 0.00 C ATOM 131 OE1 GLN A 9 4.130 7.606 -12.028 1.00 0.00 O ATOM 132 NE2 GLN A 9 2.916 9.488 -12.180 1.00 0.00 N ATOM 0 H GLN A 9 -0.901 7.509 -10.742 1.00 0.00 H new ATOM 0 HA GLN A 9 0.743 7.102 -8.511 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.720 9.308 -10.605 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.980 9.136 -9.399 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.427 6.804 -10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.276 7.129 -11.578 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.063 9.988 -11.931 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.622 9.941 -12.761 1.00 0.00 H new ATOM 141 N ARG A 10 -0.083 8.583 -6.697 1.00 0.00 N ATOM 142 CA ARG A 10 -0.462 9.394 -5.544 1.00 0.00 C ATOM 143 C ARG A 10 0.793 9.680 -4.703 1.00 0.00 C ATOM 144 O ARG A 10 1.562 8.757 -4.401 1.00 0.00 O ATOM 145 CB ARG A 10 -1.540 8.646 -4.691 1.00 0.00 C ATOM 146 CG ARG A 10 -1.974 9.357 -3.376 1.00 0.00 C ATOM 147 CD ARG A 10 -2.864 10.599 -3.581 1.00 0.00 C ATOM 148 NE ARG A 10 -2.218 11.715 -4.301 1.00 0.00 N ATOM 149 CZ ARG A 10 -1.808 12.872 -3.749 1.00 0.00 C ATOM 150 NH1 ARG A 10 -1.965 13.111 -2.444 1.00 0.00 N ATOM 151 NH2 ARG A 10 -1.275 13.802 -4.525 1.00 0.00 N ATOM 0 H ARG A 10 0.331 7.688 -6.436 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.893 10.337 -5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.425 8.495 -5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.155 7.658 -4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.509 8.642 -2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.080 9.653 -2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.758 10.301 -4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.193 10.957 -2.606 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.070 11.599 -5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.403 12.410 -1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.647 13.995 -2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.180 13.637 -5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.960 14.684 -4.121 1.00 0.00 H new ATOM 165 N GLU A 11 0.997 10.956 -4.337 1.00 0.00 N ATOM 166 CA GLU A 11 2.027 11.345 -3.373 1.00 0.00 C ATOM 167 C GLU A 11 1.486 11.090 -1.962 1.00 0.00 C ATOM 168 O GLU A 11 0.402 11.558 -1.612 1.00 0.00 O ATOM 169 CB GLU A 11 2.419 12.841 -3.528 1.00 0.00 C ATOM 170 CG GLU A 11 3.420 13.318 -2.449 1.00 0.00 C ATOM 171 CD GLU A 11 3.801 14.793 -2.566 1.00 0.00 C ATOM 172 OE1 GLU A 11 3.006 15.658 -2.150 1.00 0.00 O ATOM 173 OE2 GLU A 11 4.895 15.100 -3.075 1.00 0.00 O ATOM 0 H GLU A 11 0.454 11.739 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 11 2.924 10.754 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.855 12.996 -4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.519 13.454 -3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.988 13.142 -1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.324 12.713 -2.514 1.00 0.00 H new ATOM 180 N VAL A 12 2.233 10.302 -1.187 1.00 0.00 N ATOM 181 CA VAL A 12 1.938 10.006 0.227 1.00 0.00 C ATOM 182 C VAL A 12 3.220 10.187 1.053 1.00 0.00 C ATOM 183 O VAL A 12 4.313 10.225 0.490 1.00 0.00 O ATOM 184 CB VAL A 12 1.382 8.542 0.404 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.007 8.374 -0.288 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.396 7.483 -0.099 1.00 0.00 C ATOM 0 H VAL A 12 3.077 9.840 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 12 1.168 10.695 0.576 1.00 0.00 H new ATOM 0 HB VAL A 12 1.238 8.376 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.349 7.353 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.708 9.071 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.109 8.579 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.979 6.485 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.600 7.648 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.323 7.570 0.467 1.00 0.00 H new ATOM 196 N GLN A 13 3.081 10.299 2.376 1.00 0.00 N ATOM 197 CA GLN A 13 4.230 10.483 3.292 1.00 0.00 C ATOM 198 C GLN A 13 4.404 9.277 4.228 1.00 0.00 C ATOM 199 O GLN A 13 5.346 9.246 5.023 1.00 0.00 O ATOM 200 CB GLN A 13 4.074 11.804 4.107 1.00 0.00 C ATOM 201 CG GLN A 13 4.144 13.095 3.259 1.00 0.00 C ATOM 202 CD GLN A 13 5.458 13.244 2.483 1.00 0.00 C ATOM 203 OE1 GLN A 13 5.570 12.829 1.327 1.00 0.00 O ATOM 204 NE2 GLN A 13 6.469 13.818 3.121 1.00 0.00 N ATOM 0 H GLN A 13 2.178 10.266 2.849 1.00 0.00 H new ATOM 0 HA GLN A 13 5.132 10.557 2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.119 11.781 4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.855 11.841 4.867 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.312 13.104 2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.017 13.958 3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.345 14.151 4.077 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.370 13.926 2.656 1.00 0.00 H new ATOM 213 N SER A 14 3.506 8.282 4.131 1.00 0.00 N ATOM 214 CA SER A 14 3.601 7.049 4.919 1.00 0.00 C ATOM 215 C SER A 14 4.773 6.177 4.433 1.00 0.00 C ATOM 216 O SER A 14 4.789 5.741 3.281 1.00 0.00 O ATOM 217 CB SER A 14 2.281 6.273 4.824 1.00 0.00 C ATOM 218 OG SER A 14 1.194 7.039 5.306 1.00 0.00 O ATOM 0 H SER A 14 2.700 8.312 3.507 1.00 0.00 H new ATOM 0 HA SER A 14 3.788 7.312 5.960 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.097 5.991 3.787 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.359 5.349 5.397 1.00 0.00 H new ATOM 0 HG SER A 14 0.537 7.161 4.589 1.00 0.00 H new ATOM 224 N ALA A 15 5.746 5.964 5.330 1.00 0.00 N ATOM 225 CA ALA A 15 6.898 5.070 5.107 1.00 0.00 C ATOM 226 C ALA A 15 6.611 3.649 5.657 1.00 0.00 C ATOM 227 O ALA A 15 7.527 2.836 5.799 1.00 0.00 O ATOM 228 CB ALA A 15 8.154 5.684 5.753 1.00 0.00 C ATOM 0 H ALA A 15 5.758 6.413 6.246 1.00 0.00 H new ATOM 0 HA ALA A 15 7.072 4.968 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.007 5.025 5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.356 6.656 5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.990 5.806 6.824 1.00 0.00 H new ATOM 234 N SER A 16 5.329 3.365 5.955 1.00 0.00 N ATOM 235 CA SER A 16 4.840 2.032 6.359 1.00 0.00 C ATOM 236 C SER A 16 3.456 1.806 5.736 1.00 0.00 C ATOM 237 O SER A 16 2.653 2.750 5.642 1.00 0.00 O ATOM 238 CB SER A 16 4.787 1.925 7.901 1.00 0.00 C ATOM 239 OG SER A 16 4.050 2.996 8.460 1.00 0.00 O ATOM 0 H SER A 16 4.590 4.068 5.921 1.00 0.00 H new ATOM 0 HA SER A 16 5.521 1.259 6.002 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.331 0.977 8.188 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.800 1.927 8.304 1.00 0.00 H new ATOM 0 HG SER A 16 4.029 2.905 9.436 1.00 0.00 H new ATOM 245 N VAL A 17 3.208 0.560 5.294 1.00 0.00 N ATOM 246 CA VAL A 17 1.998 0.192 4.527 1.00 0.00 C ATOM 247 C VAL A 17 0.713 0.286 5.388 1.00 0.00 C ATOM 248 O VAL A 17 -0.345 0.624 4.867 1.00 0.00 O ATOM 249 CB VAL A 17 2.148 -1.244 3.881 1.00 0.00 C ATOM 250 CG1 VAL A 17 0.880 -1.669 3.102 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.393 -1.312 2.961 1.00 0.00 C ATOM 0 H VAL A 17 3.840 -0.223 5.457 1.00 0.00 H new ATOM 0 HA VAL A 17 1.897 0.917 3.720 1.00 0.00 H new ATOM 0 HB VAL A 17 2.280 -1.948 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.030 -2.661 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.027 -1.690 3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.689 -0.955 2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.473 -2.310 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.295 -0.578 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.288 -1.096 3.544 1.00 0.00 H new ATOM 261 N ALA A 18 0.825 0.021 6.709 1.00 0.00 N ATOM 262 CA ALA A 18 -0.320 0.135 7.643 1.00 0.00 C ATOM 263 C ALA A 18 -0.761 1.591 7.774 1.00 0.00 C ATOM 264 O ALA A 18 -1.954 1.882 7.687 1.00 0.00 O ATOM 265 CB ALA A 18 0.014 -0.458 9.016 1.00 0.00 C ATOM 0 H ALA A 18 1.695 -0.273 7.153 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.147 -0.442 7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.848 -0.357 9.675 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.265 -1.513 8.905 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.863 0.074 9.445 1.00 0.00 H new ATOM 271 N ALA A 19 0.228 2.495 7.948 1.00 0.00 N ATOM 272 CA ALA A 19 -0.010 3.946 8.007 1.00 0.00 C ATOM 273 C ALA A 19 -0.622 4.458 6.699 1.00 0.00 C ATOM 274 O ALA A 19 -1.505 5.299 6.720 1.00 0.00 O ATOM 275 CB ALA A 19 1.294 4.690 8.307 1.00 0.00 C ATOM 0 H ALA A 19 1.209 2.236 8.051 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.719 4.138 8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.100 5.762 8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.691 4.357 9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.021 4.482 7.522 1.00 0.00 H new ATOM 281 N LEU A 20 -0.152 3.893 5.576 1.00 0.00 N ATOM 282 CA LEU A 20 -0.633 4.226 4.227 1.00 0.00 C ATOM 283 C LEU A 20 -2.116 3.877 4.059 1.00 0.00 C ATOM 284 O LEU A 20 -2.923 4.711 3.642 1.00 0.00 O ATOM 285 CB LEU A 20 0.224 3.471 3.184 1.00 0.00 C ATOM 286 CG LEU A 20 -0.195 3.638 1.692 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.171 5.111 1.261 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.692 2.780 0.787 1.00 0.00 C ATOM 0 H LEU A 20 0.581 3.184 5.580 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.535 5.301 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.258 3.801 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.202 2.409 3.428 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.223 3.291 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.469 5.189 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.864 5.682 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.836 5.509 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.385 2.909 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.732 3.088 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.592 1.731 1.067 1.00 0.00 H new ATOM 300 N MET A 21 -2.461 2.636 4.425 1.00 0.00 N ATOM 301 CA MET A 21 -3.831 2.129 4.327 1.00 0.00 C ATOM 302 C MET A 21 -4.725 2.764 5.412 1.00 0.00 C ATOM 303 O MET A 21 -5.943 2.710 5.310 1.00 0.00 O ATOM 304 CB MET A 21 -3.831 0.575 4.350 1.00 0.00 C ATOM 305 CG MET A 21 -2.992 -0.049 3.207 1.00 0.00 C ATOM 306 SD MET A 21 -3.093 -1.843 3.110 1.00 0.00 S ATOM 307 CE MET A 21 -4.640 -2.095 2.244 1.00 0.00 C ATOM 0 H MET A 21 -1.797 1.957 4.797 1.00 0.00 H new ATOM 0 HA MET A 21 -4.265 2.424 3.371 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.441 0.232 5.308 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.858 0.216 4.277 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.321 0.374 2.258 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.949 0.238 3.339 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.514 -2.876 1.494 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.410 -2.395 2.955 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.939 -1.168 1.755 1.00 0.00 H new ATOM 317 N THR A 22 -4.111 3.365 6.453 1.00 0.00 N ATOM 318 CA THR A 22 -4.829 4.248 7.391 1.00 0.00 C ATOM 319 C THR A 22 -5.228 5.554 6.688 1.00 0.00 C ATOM 320 O THR A 22 -6.372 5.993 6.785 1.00 0.00 O ATOM 321 CB THR A 22 -3.986 4.564 8.674 1.00 0.00 C ATOM 322 OG1 THR A 22 -3.586 3.340 9.295 1.00 0.00 O ATOM 323 CG2 THR A 22 -4.770 5.398 9.705 1.00 0.00 C ATOM 0 H THR A 22 -3.119 3.253 6.664 1.00 0.00 H new ATOM 0 HA THR A 22 -5.725 3.717 7.713 1.00 0.00 H new ATOM 0 HB THR A 22 -3.122 5.146 8.353 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.915 2.894 8.737 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.140 5.588 10.574 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.066 6.346 9.256 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.660 4.850 10.015 1.00 0.00 H new ATOM 331 N GLU A 23 -4.273 6.143 5.943 1.00 0.00 N ATOM 332 CA GLU A 23 -4.473 7.422 5.236 1.00 0.00 C ATOM 333 C GLU A 23 -5.517 7.308 4.111 1.00 0.00 C ATOM 334 O GLU A 23 -6.211 8.276 3.806 1.00 0.00 O ATOM 335 CB GLU A 23 -3.122 7.927 4.670 1.00 0.00 C ATOM 336 CG GLU A 23 -2.052 8.228 5.740 1.00 0.00 C ATOM 337 CD GLU A 23 -2.536 9.214 6.817 1.00 0.00 C ATOM 338 OE1 GLU A 23 -2.508 10.436 6.574 1.00 0.00 O ATOM 339 OE2 GLU A 23 -2.963 8.773 7.905 1.00 0.00 O ATOM 0 H GLU A 23 -3.342 5.746 5.815 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.858 8.142 5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.729 7.179 3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.301 8.832 4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.752 7.295 6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.166 8.636 5.254 1.00 0.00 H new ATOM 346 N LEU A 24 -5.612 6.117 3.510 1.00 0.00 N ATOM 347 CA LEU A 24 -6.533 5.837 2.392 1.00 0.00 C ATOM 348 C LEU A 24 -7.817 5.115 2.875 1.00 0.00 C ATOM 349 O LEU A 24 -8.686 4.796 2.062 1.00 0.00 O ATOM 350 CB LEU A 24 -5.781 4.983 1.337 1.00 0.00 C ATOM 351 CG LEU A 24 -4.447 5.596 0.786 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.706 4.583 -0.098 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.696 6.919 0.029 1.00 0.00 C ATOM 0 H LEU A 24 -5.050 5.311 3.784 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.853 6.779 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.557 4.011 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.452 4.806 0.496 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.813 5.829 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.784 5.030 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.469 3.694 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.339 4.304 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.748 7.313 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.363 6.736 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.153 7.643 0.703 1.00 0.00 H new ATOM 365 N ASP A 25 -7.893 4.841 4.206 1.00 0.00 N ATOM 366 CA ASP A 25 -9.039 4.154 4.878 1.00 0.00 C ATOM 367 C ASP A 25 -9.229 2.703 4.342 1.00 0.00 C ATOM 368 O ASP A 25 -10.301 2.099 4.451 1.00 0.00 O ATOM 369 CB ASP A 25 -10.343 5.014 4.767 1.00 0.00 C ATOM 370 CG ASP A 25 -11.479 4.573 5.716 1.00 0.00 C ATOM 371 OD1 ASP A 25 -11.300 4.648 6.943 1.00 0.00 O ATOM 372 OD2 ASP A 25 -12.568 4.186 5.248 1.00 0.00 O ATOM 0 H ASP A 25 -7.149 5.094 4.856 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.808 4.059 5.939 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.096 6.055 4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.706 4.971 3.740 1.00 0.00 H new ATOM 377 N CYS A 26 -8.126 2.131 3.836 1.00 0.00 N ATOM 378 CA CYS A 26 -8.067 0.754 3.309 1.00 0.00 C ATOM 379 C CYS A 26 -7.675 -0.241 4.427 1.00 0.00 C ATOM 380 O CYS A 26 -7.312 -1.385 4.166 1.00 0.00 O ATOM 381 CB CYS A 26 -7.049 0.703 2.163 1.00 0.00 C ATOM 382 SG CYS A 26 -7.313 1.959 0.902 1.00 0.00 S ATOM 0 H CYS A 26 -7.232 2.619 3.779 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.050 0.466 2.936 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.046 0.819 2.574 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.090 -0.281 1.697 1.00 0.00 H new ATOM 0 HG CYS A 26 -7.943 2.970 1.422 1.00 0.00 H new ATOM 439 N TYR A 31 -9.291 -5.458 3.228 1.00 0.00 N ATOM 440 CA TYR A 31 -8.499 -5.099 2.048 1.00 0.00 C ATOM 441 C TYR A 31 -7.185 -5.875 2.040 1.00 0.00 C ATOM 442 O TYR A 31 -6.635 -6.211 3.096 1.00 0.00 O ATOM 443 CB TYR A 31 -8.217 -3.578 2.005 1.00 0.00 C ATOM 444 CG TYR A 31 -9.469 -2.701 1.799 1.00 0.00 C ATOM 445 CD1 TYR A 31 -10.276 -2.321 2.878 1.00 0.00 C ATOM 446 CD2 TYR A 31 -9.829 -2.246 0.532 1.00 0.00 C ATOM 447 CE1 TYR A 31 -11.399 -1.534 2.695 1.00 0.00 C ATOM 448 CE2 TYR A 31 -10.948 -1.460 0.346 1.00 0.00 C ATOM 449 CZ TYR A 31 -11.726 -1.101 1.431 1.00 0.00 C ATOM 450 OH TYR A 31 -12.842 -0.311 1.238 1.00 0.00 O ATOM 0 HA TYR A 31 -9.076 -5.362 1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.733 -3.285 2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.510 -3.375 1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.017 -2.649 3.874 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.221 -2.513 -0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.015 -1.261 3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.216 -1.126 -0.646 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.928 -0.093 0.286 1.00 0.00 H new ATOM 460 N ALA A 32 -6.707 -6.162 0.837 1.00 0.00 N ATOM 461 CA ALA A 32 -5.398 -6.758 0.602 1.00 0.00 C ATOM 462 C ALA A 32 -4.593 -5.770 -0.230 1.00 0.00 C ATOM 463 O ALA A 32 -5.109 -5.215 -1.194 1.00 0.00 O ATOM 464 CB ALA A 32 -5.546 -8.102 -0.120 1.00 0.00 C ATOM 0 H ALA A 32 -7.229 -5.983 -0.021 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.886 -6.957 1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.560 -8.535 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.140 -8.780 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.043 -7.948 -1.078 1.00 0.00 H new ATOM 470 N VAL A 33 -3.344 -5.545 0.144 1.00 0.00 N ATOM 471 CA VAL A 33 -2.449 -4.650 -0.595 1.00 0.00 C ATOM 472 C VAL A 33 -1.435 -5.497 -1.356 1.00 0.00 C ATOM 473 O VAL A 33 -0.941 -6.496 -0.839 1.00 0.00 O ATOM 474 CB VAL A 33 -1.715 -3.645 0.364 1.00 0.00 C ATOM 475 CG1 VAL A 33 -0.833 -4.380 1.391 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.908 -2.594 -0.430 1.00 0.00 C ATOM 0 H VAL A 33 -2.917 -5.973 0.965 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.039 -4.054 -1.291 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.483 -3.111 0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.342 -3.652 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.453 -5.041 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.079 -4.968 0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.413 -1.915 0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.159 -3.097 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.582 -2.028 -1.073 1.00 0.00 H new ATOM 486 N ALA A 34 -1.168 -5.115 -2.591 1.00 0.00 N ATOM 487 CA ALA A 34 -0.145 -5.741 -3.412 1.00 0.00 C ATOM 488 C ALA A 34 0.969 -4.724 -3.624 1.00 0.00 C ATOM 489 O ALA A 34 0.850 -3.836 -4.461 1.00 0.00 O ATOM 490 CB ALA A 34 -0.755 -6.232 -4.738 1.00 0.00 C ATOM 0 H ALA A 34 -1.660 -4.353 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 34 0.271 -6.621 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.021 -6.699 -5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.540 -6.959 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.178 -5.386 -5.279 1.00 0.00 H new ATOM 496 N LEU A 35 2.057 -4.860 -2.858 1.00 0.00 N ATOM 497 CA LEU A 35 3.205 -3.954 -2.939 1.00 0.00 C ATOM 498 C LEU A 35 4.124 -4.496 -4.030 1.00 0.00 C ATOM 499 O LEU A 35 4.731 -5.570 -3.861 1.00 0.00 O ATOM 500 CB LEU A 35 3.959 -3.873 -1.587 1.00 0.00 C ATOM 501 CG LEU A 35 5.220 -2.936 -1.566 1.00 0.00 C ATOM 502 CD1 LEU A 35 4.816 -1.454 -1.584 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.127 -3.254 -0.371 1.00 0.00 C ATOM 0 H LEU A 35 2.165 -5.601 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 35 2.871 -2.943 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.261 -3.530 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.271 -4.879 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 35 5.791 -3.130 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.711 -0.833 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.244 -1.244 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.206 -1.233 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.991 -2.590 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.572 -3.110 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.464 -4.289 -0.435 1.00 0.00 H new ATOM 515 N ASN A 36 4.164 -3.772 -5.169 1.00 0.00 N ATOM 516 CA ASN A 36 4.854 -4.204 -6.400 1.00 0.00 C ATOM 517 C ASN A 36 4.250 -5.523 -6.912 1.00 0.00 C ATOM 518 O ASN A 36 4.972 -6.415 -7.370 1.00 0.00 O ATOM 519 CB ASN A 36 6.392 -4.302 -6.170 1.00 0.00 C ATOM 520 CG ASN A 36 7.007 -2.969 -5.746 1.00 0.00 C ATOM 521 OD1 ASN A 36 6.520 -1.910 -6.118 1.00 0.00 O ATOM 522 ND2 ASN A 36 8.076 -3.005 -4.971 1.00 0.00 N ATOM 0 H ASN A 36 3.713 -2.862 -5.259 1.00 0.00 H new ATOM 0 HA ASN A 36 4.702 -3.454 -7.176 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.595 -5.051 -5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.872 -4.645 -7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.516 -2.136 -4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.462 -3.902 -4.675 1.00 0.00 H new ATOM 529 N TYR A 37 2.898 -5.606 -6.800 1.00 0.00 N ATOM 530 CA TYR A 37 2.071 -6.761 -7.232 1.00 0.00 C ATOM 531 C TYR A 37 2.299 -8.026 -6.376 1.00 0.00 C ATOM 532 O TYR A 37 1.857 -9.114 -6.750 1.00 0.00 O ATOM 533 CB TYR A 37 2.242 -7.059 -8.753 1.00 0.00 C ATOM 534 CG TYR A 37 1.779 -5.905 -9.651 1.00 0.00 C ATOM 535 CD1 TYR A 37 0.422 -5.613 -9.783 1.00 0.00 C ATOM 536 CD2 TYR A 37 2.692 -5.112 -10.350 1.00 0.00 C ATOM 537 CE1 TYR A 37 -0.004 -4.569 -10.569 1.00 0.00 C ATOM 538 CE2 TYR A 37 2.264 -4.068 -11.137 1.00 0.00 C ATOM 539 CZ TYR A 37 0.921 -3.803 -11.246 1.00 0.00 C ATOM 540 OH TYR A 37 0.498 -2.763 -12.037 1.00 0.00 O ATOM 0 H TYR A 37 2.341 -4.853 -6.397 1.00 0.00 H new ATOM 0 HA TYR A 37 1.035 -6.465 -7.066 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.291 -7.273 -8.959 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.678 -7.957 -9.006 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.305 -6.216 -9.260 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.749 -5.321 -10.272 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.058 -4.350 -10.656 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.981 -3.459 -11.667 1.00 0.00 H new ATOM 0 HH TYR A 37 1.274 -2.324 -12.443 1.00 0.00 H new ATOM 550 N ASP A 38 2.955 -7.872 -5.219 1.00 0.00 N ATOM 551 CA ASP A 38 3.142 -8.953 -4.234 1.00 0.00 C ATOM 552 C ASP A 38 2.323 -8.618 -2.988 1.00 0.00 C ATOM 553 O ASP A 38 2.580 -7.595 -2.334 1.00 0.00 O ATOM 554 CB ASP A 38 4.643 -9.103 -3.880 1.00 0.00 C ATOM 555 CG ASP A 38 4.896 -10.178 -2.803 1.00 0.00 C ATOM 556 OD1 ASP A 38 4.755 -11.377 -3.115 1.00 0.00 O ATOM 557 OD2 ASP A 38 5.246 -9.830 -1.649 1.00 0.00 O ATOM 0 H ASP A 38 3.376 -6.987 -4.935 1.00 0.00 H new ATOM 0 HA ASP A 38 2.803 -9.901 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.201 -9.359 -4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.027 -8.145 -3.529 1.00 0.00 H new ATOM 562 N VAL A 39 1.334 -9.469 -2.678 1.00 0.00 N ATOM 563 CA VAL A 39 0.392 -9.239 -1.583 1.00 0.00 C ATOM 564 C VAL A 39 1.099 -9.309 -0.217 1.00 0.00 C ATOM 565 O VAL A 39 1.798 -10.279 0.081 1.00 0.00 O ATOM 566 CB VAL A 39 -0.811 -10.255 -1.614 1.00 0.00 C ATOM 567 CG1 VAL A 39 -1.827 -9.959 -0.484 1.00 0.00 C ATOM 568 CG2 VAL A 39 -1.508 -10.239 -2.993 1.00 0.00 C ATOM 0 H VAL A 39 1.168 -10.339 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.010 -8.236 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.406 -11.253 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.645 -10.678 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.330 -10.040 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.222 -8.950 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.336 -10.948 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.889 -9.238 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.792 -10.519 -3.766 1.00 0.00 H new ATOM 578 N VAL A 40 0.908 -8.250 0.578 1.00 0.00 N ATOM 579 CA VAL A 40 1.411 -8.139 1.945 1.00 0.00 C ATOM 580 C VAL A 40 0.227 -8.370 2.921 1.00 0.00 C ATOM 581 O VAL A 40 -0.816 -7.727 2.759 1.00 0.00 O ATOM 582 CB VAL A 40 2.043 -6.716 2.182 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.569 -6.546 3.624 1.00 0.00 C ATOM 584 CG2 VAL A 40 3.156 -6.423 1.148 1.00 0.00 C ATOM 0 H VAL A 40 0.385 -7.427 0.277 1.00 0.00 H new ATOM 0 HA VAL A 40 2.187 -8.885 2.117 1.00 0.00 H new ATOM 0 HB VAL A 40 1.246 -5.985 2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.996 -5.550 3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.747 -6.673 4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.336 -7.295 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.575 -5.434 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.942 -7.173 1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.736 -6.455 0.143 1.00 0.00 H new ATOM 594 N PRO A 41 0.351 -9.302 3.923 1.00 0.00 N ATOM 595 CA PRO A 41 -0.711 -9.551 4.930 1.00 0.00 C ATOM 596 C PRO A 41 -0.749 -8.448 6.009 1.00 0.00 C ATOM 597 O PRO A 41 0.240 -7.724 6.196 1.00 0.00 O ATOM 598 CB PRO A 41 -0.320 -10.929 5.513 1.00 0.00 C ATOM 599 CG PRO A 41 1.175 -10.977 5.394 1.00 0.00 C ATOM 600 CD PRO A 41 1.520 -10.198 4.135 1.00 0.00 C ATOM 0 HA PRO A 41 -1.715 -9.542 4.507 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.639 -11.026 6.551 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.789 -11.742 4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.651 -10.534 6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.528 -12.006 5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.440 -9.628 4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.670 -10.863 3.285 1.00 0.00 H new ATOM 608 N ARG A 42 -1.889 -8.358 6.728 1.00 0.00 N ATOM 609 CA ARG A 42 -2.194 -7.230 7.638 1.00 0.00 C ATOM 610 C ARG A 42 -1.151 -7.064 8.753 1.00 0.00 C ATOM 611 O ARG A 42 -0.746 -5.936 9.056 1.00 0.00 O ATOM 612 CB ARG A 42 -3.611 -7.359 8.241 1.00 0.00 C ATOM 613 CG ARG A 42 -4.735 -7.513 7.195 1.00 0.00 C ATOM 614 CD ARG A 42 -6.127 -7.305 7.806 1.00 0.00 C ATOM 615 NE ARG A 42 -6.288 -5.940 8.342 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.278 -5.081 8.032 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.238 -5.412 7.166 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.279 -3.882 8.584 1.00 0.00 N ATOM 0 H ARG A 42 -2.624 -9.064 6.695 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.155 -6.330 7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.632 -8.220 8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.816 -6.478 8.850 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.582 -6.793 6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.680 -8.506 6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.889 -7.491 7.049 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.287 -8.031 8.604 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.586 -5.617 9.008 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.231 -6.331 6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.978 -4.746 6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.538 -3.619 9.234 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.021 -3.218 8.361 1.00 0.00 H new ATOM 632 N GLY A 43 -0.706 -8.191 9.336 1.00 0.00 N ATOM 633 CA GLY A 43 0.331 -8.179 10.373 1.00 0.00 C ATOM 634 C GLY A 43 1.658 -7.611 9.879 1.00 0.00 C ATOM 635 O GLY A 43 2.417 -7.009 10.643 1.00 0.00 O ATOM 0 H GLY A 43 -1.052 -9.122 9.103 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.017 -7.590 11.221 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.488 -9.195 10.734 1.00 0.00 H new ATOM 639 N LYS A 44 1.922 -7.770 8.578 1.00 0.00 N ATOM 640 CA LYS A 44 3.164 -7.308 7.954 1.00 0.00 C ATOM 641 C LYS A 44 3.059 -5.855 7.457 1.00 0.00 C ATOM 642 O LYS A 44 4.086 -5.277 7.170 1.00 0.00 O ATOM 643 CB LYS A 44 3.574 -8.263 6.790 1.00 0.00 C ATOM 644 CG LYS A 44 4.476 -9.443 7.209 1.00 0.00 C ATOM 645 CD LYS A 44 5.895 -8.972 7.619 1.00 0.00 C ATOM 646 CE LYS A 44 6.769 -10.105 8.174 1.00 0.00 C ATOM 647 NZ LYS A 44 6.191 -10.706 9.406 1.00 0.00 N ATOM 0 H LYS A 44 1.279 -8.223 7.928 1.00 0.00 H new ATOM 0 HA LYS A 44 3.941 -7.328 8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.670 -8.661 6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.091 -7.682 6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.015 -9.974 8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.553 -10.151 6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.389 -8.531 6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.808 -8.187 8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.885 -10.878 7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.765 -9.720 8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.936 -11.207 9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.792 -9.955 10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.440 -11.377 9.146 1.00 0.00 H new ATOM 661 N TRP A 45 1.833 -5.284 7.351 1.00 0.00 N ATOM 662 CA TRP A 45 1.632 -3.891 6.842 1.00 0.00 C ATOM 663 C TRP A 45 2.495 -2.860 7.629 1.00 0.00 C ATOM 664 O TRP A 45 3.107 -1.965 7.035 1.00 0.00 O ATOM 665 CB TRP A 45 0.139 -3.455 6.903 1.00 0.00 C ATOM 666 CG TRP A 45 -0.818 -4.137 5.948 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.521 -5.029 4.969 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.245 -3.938 5.880 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.667 -5.431 4.329 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.736 -4.764 4.858 1.00 0.00 C ATOM 671 CE3 TRP A 45 -3.150 -3.143 6.592 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -4.089 -4.829 4.533 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.495 -3.204 6.268 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.952 -4.038 5.244 1.00 0.00 C ATOM 0 H TRP A 45 0.968 -5.759 7.608 1.00 0.00 H new ATOM 0 HA TRP A 45 1.951 -3.904 5.800 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.221 -3.621 7.918 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.092 -2.382 6.720 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.474 -5.373 4.728 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.713 -6.119 3.577 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.805 -2.492 7.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.445 -5.480 3.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.202 -2.598 6.815 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.006 -4.059 5.009 1.00 0.00 H new ATOM 685 N ASP A 46 2.520 -3.013 8.969 1.00 0.00 N ATOM 686 CA ASP A 46 3.325 -2.162 9.879 1.00 0.00 C ATOM 687 C ASP A 46 4.833 -2.406 9.652 1.00 0.00 C ATOM 688 O ASP A 46 5.633 -1.471 9.632 1.00 0.00 O ATOM 689 CB ASP A 46 2.972 -2.464 11.370 1.00 0.00 C ATOM 690 CG ASP A 46 1.496 -2.224 11.735 1.00 0.00 C ATOM 691 OD1 ASP A 46 0.647 -3.058 11.358 1.00 0.00 O ATOM 692 OD2 ASP A 46 1.179 -1.220 12.410 1.00 0.00 O ATOM 0 H ASP A 46 1.982 -3.731 9.455 1.00 0.00 H new ATOM 0 HA ASP A 46 3.091 -1.120 9.660 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.223 -3.502 11.587 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.598 -1.844 12.012 1.00 0.00 H new ATOM 697 N GLU A 47 5.184 -3.692 9.491 1.00 0.00 N ATOM 698 CA GLU A 47 6.575 -4.166 9.337 1.00 0.00 C ATOM 699 C GLU A 47 7.143 -3.881 7.928 1.00 0.00 C ATOM 700 O GLU A 47 8.362 -3.840 7.745 1.00 0.00 O ATOM 701 CB GLU A 47 6.625 -5.692 9.633 1.00 0.00 C ATOM 702 CG GLU A 47 6.017 -6.113 10.991 1.00 0.00 C ATOM 703 CD GLU A 47 6.087 -7.630 11.220 1.00 0.00 C ATOM 704 OE1 GLU A 47 7.146 -8.132 11.644 1.00 0.00 O ATOM 705 OE2 GLU A 47 5.093 -8.339 10.940 1.00 0.00 O ATOM 0 H GLU A 47 4.499 -4.447 9.463 1.00 0.00 H new ATOM 0 HA GLU A 47 7.197 -3.619 10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.099 -6.219 8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.664 -6.020 9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.545 -5.602 11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.977 -5.789 11.036 1.00 0.00 H new ATOM 712 N THR A 48 6.252 -3.681 6.947 1.00 0.00 N ATOM 713 CA THR A 48 6.627 -3.487 5.539 1.00 0.00 C ATOM 714 C THR A 48 6.713 -1.979 5.246 1.00 0.00 C ATOM 715 O THR A 48 5.709 -1.268 5.403 1.00 0.00 O ATOM 716 CB THR A 48 5.603 -4.164 4.569 1.00 0.00 C ATOM 717 OG1 THR A 48 5.505 -5.563 4.876 1.00 0.00 O ATOM 718 CG2 THR A 48 6.017 -4.022 3.099 1.00 0.00 C ATOM 0 H THR A 48 5.245 -3.649 7.109 1.00 0.00 H new ATOM 0 HA THR A 48 7.596 -3.958 5.372 1.00 0.00 H new ATOM 0 HB THR A 48 4.646 -3.662 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.090 -5.676 5.757 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.276 -4.507 2.464 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.081 -2.965 2.840 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.989 -4.492 2.948 1.00 0.00 H new ATOM 726 N PRO A 49 7.923 -1.452 4.883 1.00 0.00 N ATOM 727 CA PRO A 49 8.090 -0.029 4.517 1.00 0.00 C ATOM 728 C PRO A 49 7.393 0.331 3.188 1.00 0.00 C ATOM 729 O PRO A 49 6.907 -0.544 2.460 1.00 0.00 O ATOM 730 CB PRO A 49 9.631 0.139 4.414 1.00 0.00 C ATOM 731 CG PRO A 49 10.149 -1.235 4.113 1.00 0.00 C ATOM 732 CD PRO A 49 9.225 -2.185 4.837 1.00 0.00 C ATOM 0 HA PRO A 49 7.631 0.638 5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.900 0.844 3.627 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.050 0.524 5.344 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.148 -1.428 3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.177 -1.350 4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.132 -3.133 4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.591 -2.414 5.838 1.00 0.00 H new ATOM 740 N VAL A 50 7.324 1.641 2.907 1.00 0.00 N ATOM 741 CA VAL A 50 6.912 2.182 1.600 1.00 0.00 C ATOM 742 C VAL A 50 8.055 3.053 1.067 1.00 0.00 C ATOM 743 O VAL A 50 8.638 3.839 1.818 1.00 0.00 O ATOM 744 CB VAL A 50 5.580 3.027 1.683 1.00 0.00 C ATOM 745 CG1 VAL A 50 5.180 3.618 0.309 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.419 2.192 2.263 1.00 0.00 C ATOM 0 H VAL A 50 7.555 2.364 3.588 1.00 0.00 H new ATOM 0 HA VAL A 50 6.706 1.348 0.929 1.00 0.00 H new ATOM 0 HB VAL A 50 5.781 3.859 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.259 4.191 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.975 4.271 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.025 2.808 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.518 2.803 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.240 1.326 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.678 1.856 3.267 1.00 0.00 H new ATOM 756 N THR A 51 8.382 2.879 -0.214 1.00 0.00 N ATOM 757 CA THR A 51 9.399 3.674 -0.922 1.00 0.00 C ATOM 758 C THR A 51 8.785 4.224 -2.207 1.00 0.00 C ATOM 759 O THR A 51 7.837 3.644 -2.737 1.00 0.00 O ATOM 760 CB THR A 51 10.670 2.824 -1.258 1.00 0.00 C ATOM 761 OG1 THR A 51 10.302 1.650 -1.988 1.00 0.00 O ATOM 762 CG2 THR A 51 11.441 2.415 0.011 1.00 0.00 C ATOM 0 H THR A 51 7.943 2.171 -0.803 1.00 0.00 H new ATOM 0 HA THR A 51 9.716 4.490 -0.272 1.00 0.00 H new ATOM 0 HB THR A 51 11.324 3.449 -1.866 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.328 1.622 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.315 1.827 -0.268 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.761 3.309 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.793 1.819 0.654 1.00 0.00 H new ATOM 770 N ALA A 52 9.346 5.328 -2.703 1.00 0.00 N ATOM 771 CA ALA A 52 8.830 6.025 -3.889 1.00 0.00 C ATOM 772 C ALA A 52 8.902 5.133 -5.153 1.00 0.00 C ATOM 773 O ALA A 52 9.924 4.481 -5.399 1.00 0.00 O ATOM 774 CB ALA A 52 9.595 7.338 -4.096 1.00 0.00 C ATOM 0 H ALA A 52 10.172 5.767 -2.296 1.00 0.00 H new ATOM 0 HA ALA A 52 7.778 6.253 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.208 7.850 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.468 7.975 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.654 7.123 -4.238 1.00 0.00 H new ATOM 780 N GLY A 53 7.801 5.108 -5.929 1.00 0.00 N ATOM 781 CA GLY A 53 7.743 4.379 -7.202 1.00 0.00 C ATOM 782 C GLY A 53 7.006 3.044 -7.131 1.00 0.00 C ATOM 783 O GLY A 53 6.704 2.468 -8.186 1.00 0.00 O ATOM 0 H GLY A 53 6.935 5.590 -5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.256 5.010 -7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.760 4.201 -7.551 1.00 0.00 H new ATOM 787 N ASP A 54 6.730 2.544 -5.899 1.00 0.00 N ATOM 788 CA ASP A 54 6.069 1.226 -5.696 1.00 0.00 C ATOM 789 C ASP A 54 4.665 1.145 -6.335 1.00 0.00 C ATOM 790 O ASP A 54 3.876 2.086 -6.229 1.00 0.00 O ATOM 791 CB ASP A 54 5.956 0.880 -4.185 1.00 0.00 C ATOM 792 CG ASP A 54 7.294 0.613 -3.483 1.00 0.00 C ATOM 793 OD1 ASP A 54 8.245 0.127 -4.127 1.00 0.00 O ATOM 794 OD2 ASP A 54 7.390 0.838 -2.263 1.00 0.00 O ATOM 0 H ASP A 54 6.954 3.032 -5.032 1.00 0.00 H new ATOM 0 HA ASP A 54 6.708 0.500 -6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.452 1.701 -3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.322 0.000 -4.075 1.00 0.00 H new ATOM 799 N GLU A 55 4.371 -0.008 -6.983 1.00 0.00 N ATOM 800 CA GLU A 55 3.032 -0.327 -7.510 1.00 0.00 C ATOM 801 C GLU A 55 2.169 -0.883 -6.369 1.00 0.00 C ATOM 802 O GLU A 55 2.052 -2.099 -6.194 1.00 0.00 O ATOM 803 CB GLU A 55 3.074 -1.364 -8.681 1.00 0.00 C ATOM 804 CG GLU A 55 3.920 -0.965 -9.914 1.00 0.00 C ATOM 805 CD GLU A 55 5.436 -1.045 -9.692 1.00 0.00 C ATOM 806 OE1 GLU A 55 5.923 -2.101 -9.244 1.00 0.00 O ATOM 807 OE2 GLU A 55 6.151 -0.065 -9.973 1.00 0.00 O ATOM 0 H GLU A 55 5.060 -0.741 -7.153 1.00 0.00 H new ATOM 0 HA GLU A 55 2.607 0.593 -7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.459 -2.306 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.052 -1.550 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.652 -1.613 -10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.660 0.053 -10.204 1.00 0.00 H new ATOM 814 N ILE A 56 1.607 0.024 -5.574 1.00 0.00 N ATOM 815 CA ILE A 56 0.783 -0.323 -4.416 1.00 0.00 C ATOM 816 C ILE A 56 -0.674 -0.469 -4.885 1.00 0.00 C ATOM 817 O ILE A 56 -1.410 0.504 -4.982 1.00 0.00 O ATOM 818 CB ILE A 56 0.935 0.796 -3.318 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.447 0.969 -2.979 1.00 0.00 C ATOM 820 CG2 ILE A 56 0.096 0.478 -2.060 1.00 0.00 C ATOM 821 CD1 ILE A 56 2.778 2.072 -2.004 1.00 0.00 C ATOM 0 H ILE A 56 1.711 1.029 -5.715 1.00 0.00 H new ATOM 0 HA ILE A 56 1.102 -1.267 -3.974 1.00 0.00 H new ATOM 0 HB ILE A 56 0.549 1.737 -3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.820 0.028 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.989 1.154 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.227 1.272 -1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.957 0.406 -2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.425 -0.469 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.855 2.102 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.445 3.028 -2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.273 1.884 -1.057 1.00 0.00 H new ATOM 833 N GLU A 57 -1.068 -1.707 -5.171 1.00 0.00 N ATOM 834 CA GLU A 57 -2.378 -2.024 -5.751 1.00 0.00 C ATOM 835 C GLU A 57 -3.262 -2.568 -4.623 1.00 0.00 C ATOM 836 O GLU A 57 -3.069 -3.700 -4.175 1.00 0.00 O ATOM 837 CB GLU A 57 -2.200 -3.076 -6.900 1.00 0.00 C ATOM 838 CG GLU A 57 -3.212 -2.976 -8.066 1.00 0.00 C ATOM 839 CD GLU A 57 -4.687 -2.919 -7.648 1.00 0.00 C ATOM 840 OE1 GLU A 57 -5.188 -3.918 -7.126 1.00 0.00 O ATOM 841 OE2 GLU A 57 -5.354 -1.886 -7.863 1.00 0.00 O ATOM 0 H GLU A 57 -0.485 -2.528 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.847 -1.141 -6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.194 -2.975 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.270 -4.074 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.982 -2.085 -8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.070 -3.834 -8.724 1.00 0.00 H new ATOM 848 N ILE A 58 -4.221 -1.764 -4.157 1.00 0.00 N ATOM 849 CA ILE A 58 -5.043 -2.138 -2.993 1.00 0.00 C ATOM 850 C ILE A 58 -6.328 -2.836 -3.476 1.00 0.00 C ATOM 851 O ILE A 58 -7.281 -2.197 -3.910 1.00 0.00 O ATOM 852 CB ILE A 58 -5.384 -0.878 -2.106 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.063 -0.226 -1.575 1.00 0.00 C ATOM 854 CG2 ILE A 58 -6.343 -1.249 -0.947 1.00 0.00 C ATOM 855 CD1 ILE A 58 -4.251 1.025 -0.736 1.00 0.00 C ATOM 0 H ILE A 58 -4.450 -0.856 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.475 -2.828 -2.369 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.903 -0.146 -2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.525 -0.965 -0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.430 0.020 -2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.559 -0.360 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.272 -1.646 -1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.874 -2.002 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.278 1.399 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.757 1.788 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.854 0.788 0.141 1.00 0.00 H new ATOM 867 N LEU A 59 -6.322 -4.158 -3.387 1.00 0.00 N ATOM 868 CA LEU A 59 -7.460 -5.012 -3.727 1.00 0.00 C ATOM 869 C LEU A 59 -8.478 -5.042 -2.581 1.00 0.00 C ATOM 870 O LEU A 59 -8.136 -4.815 -1.416 1.00 0.00 O ATOM 871 CB LEU A 59 -6.922 -6.436 -4.030 1.00 0.00 C ATOM 872 CG LEU A 59 -6.158 -6.576 -5.381 1.00 0.00 C ATOM 873 CD1 LEU A 59 -5.268 -7.827 -5.419 1.00 0.00 C ATOM 874 CD2 LEU A 59 -7.147 -6.570 -6.565 1.00 0.00 C ATOM 0 H LEU A 59 -5.508 -4.683 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.974 -4.618 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.257 -6.737 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.760 -7.133 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.498 -5.713 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.757 -7.881 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.531 -7.773 -4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.884 -8.716 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.596 -6.669 -7.500 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.841 -7.404 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.704 -5.633 -6.569 1.00 0.00 H new