USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 THR OG1 : rot -172:sc= 0.73 USER MOD Set 1.2: A 46 SER OG : rot 111:sc= 1.12 USER MOD Set 2.1: A 26 THR OG1 : rot -170:sc= -2.94! USER MOD Set 2.2: A 29 GLN : amide:sc= -2.43! C(o=-5.4!,f=-7.1!) USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= 0.00393 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.00812 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.257 (180deg=-1.29) USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.83! USER MOD Single : A 6 ASN : amide:sc= -0.275 K(o=-0.28,f=-1.6) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -29.1! C(o=-29!,f=-41!) USER MOD Single : A 36 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.9!) USER MOD Single : A 48 GLN :FLIP amide:sc= -2.12 F(o=-3!,f=-2.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -149:sc= -0.346 (180deg=-1.57!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.391) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.826 -2.156 3.552 1.00 0.00 N ATOM 2 CA MET A 1 -23.481 -3.374 2.997 1.00 0.00 C ATOM 3 C MET A 1 -22.596 -3.978 1.912 1.00 0.00 C ATOM 4 O MET A 1 -22.661 -5.177 1.642 1.00 0.00 O ATOM 5 CB MET A 1 -24.839 -2.995 2.405 1.00 0.00 C ATOM 6 CG MET A 1 -25.756 -2.488 3.518 1.00 0.00 C ATOM 7 SD MET A 1 -26.303 -3.882 4.532 1.00 0.00 S ATOM 8 CE MET A 1 -26.516 -2.961 6.075 1.00 0.00 C ATOM 0 H1 MET A 1 -23.155 -1.998 4.526 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.794 -2.286 3.552 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.071 -1.332 2.966 1.00 0.00 H new ATOM 0 HA MET A 1 -23.625 -4.106 3.792 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.714 -2.225 1.643 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.288 -3.859 1.914 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.228 -1.761 4.135 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.618 -1.977 3.089 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.857 -3.638 6.858 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.565 -2.517 6.368 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.255 -2.173 5.929 1.00 0.00 H new ATOM 18 N VAL A 2 -21.772 -3.140 1.295 1.00 0.00 N ATOM 19 CA VAL A 2 -20.877 -3.602 0.238 1.00 0.00 C ATOM 20 C VAL A 2 -19.701 -4.371 0.831 1.00 0.00 C ATOM 21 O VAL A 2 -19.413 -4.261 2.022 1.00 0.00 O ATOM 22 CB VAL A 2 -20.357 -2.409 -0.564 1.00 0.00 C ATOM 23 CG1 VAL A 2 -21.538 -1.621 -1.131 1.00 0.00 C ATOM 24 CG2 VAL A 2 -19.536 -1.499 0.351 1.00 0.00 C ATOM 0 H VAL A 2 -21.704 -2.144 1.505 1.00 0.00 H new ATOM 0 HA VAL A 2 -21.436 -4.266 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.731 -2.768 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.167 -0.770 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -22.127 -2.267 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -22.163 -1.263 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -19.165 -0.648 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.164 -1.142 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -18.693 -2.058 0.759 1.00 0.00 H new ATOM 34 N THR A 3 -19.020 -5.144 -0.011 1.00 0.00 N ATOM 35 CA THR A 3 -17.869 -5.925 0.435 1.00 0.00 C ATOM 36 C THR A 3 -17.258 -6.695 -0.745 1.00 0.00 C ATOM 37 O THR A 3 -16.050 -6.630 -0.971 1.00 0.00 O ATOM 38 CB THR A 3 -18.290 -6.900 1.572 1.00 0.00 C ATOM 39 OG1 THR A 3 -19.692 -6.808 1.772 1.00 0.00 O ATOM 40 CG2 THR A 3 -17.574 -6.550 2.887 1.00 0.00 C ATOM 0 H THR A 3 -19.243 -5.246 -1.001 1.00 0.00 H new ATOM 0 HA THR A 3 -17.112 -5.246 0.828 1.00 0.00 H new ATOM 0 HB THR A 3 -18.013 -7.913 1.280 1.00 0.00 H new ATOM 0 HG1 THR A 3 -19.961 -7.422 2.487 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.885 -7.245 3.667 1.00 0.00 H new ATOM 0 HG22 THR A 3 -16.496 -6.622 2.745 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.833 -5.534 3.183 1.00 0.00 H new ATOM 48 N PRO A 4 -18.057 -7.422 -1.492 1.00 0.00 N ATOM 49 CA PRO A 4 -17.567 -8.212 -2.655 1.00 0.00 C ATOM 50 C PRO A 4 -17.537 -7.390 -3.947 1.00 0.00 C ATOM 51 O PRO A 4 -18.239 -7.705 -4.907 1.00 0.00 O ATOM 52 CB PRO A 4 -18.595 -9.338 -2.739 1.00 0.00 C ATOM 53 CG PRO A 4 -19.885 -8.699 -2.320 1.00 0.00 C ATOM 54 CD PRO A 4 -19.517 -7.582 -1.322 1.00 0.00 C ATOM 0 HA PRO A 4 -16.540 -8.557 -2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -18.661 -9.741 -3.750 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -18.331 -10.167 -2.082 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -20.413 -8.291 -3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -20.548 -9.430 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -20.049 -6.657 -1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -19.772 -7.860 -0.299 1.00 0.00 H new ATOM 62 N VAL A 5 -16.723 -6.337 -3.961 1.00 0.00 N ATOM 63 CA VAL A 5 -16.615 -5.483 -5.140 1.00 0.00 C ATOM 64 C VAL A 5 -15.445 -4.516 -5.005 1.00 0.00 C ATOM 65 O VAL A 5 -14.751 -4.223 -5.979 1.00 0.00 O ATOM 66 CB VAL A 5 -17.908 -4.688 -5.329 1.00 0.00 C ATOM 67 CG1 VAL A 5 -18.110 -3.750 -4.139 1.00 0.00 C ATOM 68 CG2 VAL A 5 -17.813 -3.862 -6.614 1.00 0.00 C ATOM 0 H VAL A 5 -16.134 -6.057 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 5 -16.445 -6.122 -6.007 1.00 0.00 H new ATOM 0 HB VAL A 5 -18.750 -5.376 -5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -19.032 -3.184 -4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -18.175 -4.335 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -17.268 -3.061 -4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -18.734 -3.295 -6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -16.970 -3.175 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -17.668 -4.528 -7.465 1.00 0.00 H new ATOM 78 N ASN A 6 -15.234 -4.017 -3.791 1.00 0.00 N ATOM 79 CA ASN A 6 -14.147 -3.078 -3.542 1.00 0.00 C ATOM 80 C ASN A 6 -12.815 -3.660 -4.004 1.00 0.00 C ATOM 81 O ASN A 6 -12.074 -4.242 -3.212 1.00 0.00 O ATOM 82 CB ASN A 6 -14.073 -2.747 -2.051 1.00 0.00 C ATOM 83 CG ASN A 6 -15.439 -2.290 -1.552 1.00 0.00 C ATOM 84 OD1 ASN A 6 -16.221 -1.726 -2.316 1.00 0.00 O ATOM 85 ND2 ASN A 6 -15.773 -2.502 -0.309 1.00 0.00 N ATOM 0 H ASN A 6 -15.796 -4.245 -2.971 1.00 0.00 H new ATOM 0 HA ASN A 6 -14.345 -2.167 -4.107 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -13.746 -3.623 -1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -13.333 -1.965 -1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -16.685 -2.200 0.033 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -15.122 -2.970 0.321 1.00 0.00 H new ATOM 92 N MET A 7 -12.515 -3.497 -5.289 1.00 0.00 N ATOM 93 CA MET A 7 -11.265 -4.007 -5.841 1.00 0.00 C ATOM 94 C MET A 7 -11.095 -5.482 -5.489 1.00 0.00 C ATOM 95 O MET A 7 -11.978 -6.090 -4.885 1.00 0.00 O ATOM 96 CB MET A 7 -10.080 -3.210 -5.286 1.00 0.00 C ATOM 97 CG MET A 7 -10.364 -1.709 -5.394 1.00 0.00 C ATOM 98 SD MET A 7 -9.037 -0.787 -4.575 1.00 0.00 S ATOM 99 CE MET A 7 -9.764 0.869 -4.699 1.00 0.00 C ATOM 0 H MET A 7 -13.115 -3.020 -5.962 1.00 0.00 H new ATOM 0 HA MET A 7 -11.296 -3.899 -6.925 1.00 0.00 H new ATOM 0 HB2 MET A 7 -9.904 -3.481 -4.245 1.00 0.00 H new ATOM 0 HB3 MET A 7 -9.173 -3.458 -5.838 1.00 0.00 H new ATOM 0 HG2 MET A 7 -10.434 -1.415 -6.441 1.00 0.00 H new ATOM 0 HG3 MET A 7 -11.323 -1.475 -4.933 1.00 0.00 H new ATOM 0 HE1 MET A 7 -9.091 1.597 -4.245 1.00 0.00 H new ATOM 0 HE2 MET A 7 -9.917 1.122 -5.748 1.00 0.00 H new ATOM 0 HE3 MET A 7 -10.722 0.886 -4.179 1.00 0.00 H new ATOM 109 N SER A 8 -9.955 -6.053 -5.866 1.00 0.00 N ATOM 110 CA SER A 8 -9.688 -7.457 -5.577 1.00 0.00 C ATOM 111 C SER A 8 -9.752 -7.710 -4.074 1.00 0.00 C ATOM 112 O SER A 8 -10.409 -6.970 -3.339 1.00 0.00 O ATOM 113 CB SER A 8 -8.306 -7.840 -6.097 1.00 0.00 C ATOM 114 OG SER A 8 -8.196 -7.465 -7.463 1.00 0.00 O ATOM 0 H SER A 8 -9.209 -5.571 -6.367 1.00 0.00 H new ATOM 0 HA SER A 8 -10.445 -8.064 -6.073 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.534 -7.344 -5.509 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.149 -8.913 -5.989 1.00 0.00 H new ATOM 0 HG SER A 8 -7.308 -7.709 -7.799 1.00 0.00 H new ATOM 120 N ARG A 9 -9.065 -8.760 -3.619 1.00 0.00 N ATOM 121 CA ARG A 9 -9.045 -9.105 -2.198 1.00 0.00 C ATOM 122 C ARG A 9 -7.661 -9.600 -1.794 1.00 0.00 C ATOM 123 O ARG A 9 -7.213 -9.358 -0.677 1.00 0.00 O ATOM 124 CB ARG A 9 -10.088 -10.184 -1.900 1.00 0.00 C ATOM 125 CG ARG A 9 -10.052 -10.535 -0.411 1.00 0.00 C ATOM 126 CD ARG A 9 -11.225 -11.458 -0.076 1.00 0.00 C ATOM 127 NE ARG A 9 -11.063 -12.013 1.265 1.00 0.00 N ATOM 128 CZ ARG A 9 -11.493 -11.361 2.344 1.00 0.00 C ATOM 129 NH1 ARG A 9 -12.088 -10.206 2.216 1.00 0.00 N ATOM 130 NH2 ARG A 9 -11.321 -11.879 3.530 1.00 0.00 N ATOM 0 H ARG A 9 -8.517 -9.383 -4.212 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.284 -8.211 -1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.081 -9.830 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.888 -11.073 -2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.109 -11.023 -0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.107 -9.627 0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.162 -10.904 -0.138 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.283 -12.265 -0.807 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.610 -12.920 1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.224 -9.802 1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.417 -9.707 3.043 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.858 -12.782 3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.650 -11.380 4.357 1.00 0.00 H new ATOM 144 N GLU A 10 -6.986 -10.306 -2.703 1.00 0.00 N ATOM 145 CA GLU A 10 -5.643 -10.822 -2.424 1.00 0.00 C ATOM 146 C GLU A 10 -4.594 -9.944 -3.100 1.00 0.00 C ATOM 147 O GLU A 10 -3.504 -9.740 -2.568 1.00 0.00 O ATOM 148 CB GLU A 10 -5.514 -12.259 -2.920 1.00 0.00 C ATOM 149 CG GLU A 10 -5.656 -12.296 -4.442 1.00 0.00 C ATOM 150 CD GLU A 10 -5.758 -13.741 -4.918 1.00 0.00 C ATOM 151 OE1 GLU A 10 -4.777 -14.455 -4.792 1.00 0.00 O ATOM 152 OE2 GLU A 10 -6.816 -14.114 -5.397 1.00 0.00 O ATOM 0 H GLU A 10 -7.343 -10.533 -3.631 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.481 -10.806 -1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.548 -12.670 -2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.280 -12.883 -2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.542 -11.740 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.799 -11.810 -4.908 1.00 0.00 H new ATOM 159 N THR A 11 -4.947 -9.404 -4.263 1.00 0.00 N ATOM 160 CA THR A 11 -4.045 -8.519 -4.991 1.00 0.00 C ATOM 161 C THR A 11 -4.046 -7.170 -4.293 1.00 0.00 C ATOM 162 O THR A 11 -3.023 -6.713 -3.788 1.00 0.00 O ATOM 163 CB THR A 11 -4.524 -8.366 -6.443 1.00 0.00 C ATOM 164 OG1 THR A 11 -4.220 -9.550 -7.166 1.00 0.00 O ATOM 165 CG2 THR A 11 -3.834 -7.170 -7.110 1.00 0.00 C ATOM 0 H THR A 11 -5.846 -9.563 -4.719 1.00 0.00 H new ATOM 0 HA THR A 11 -3.036 -8.932 -5.006 1.00 0.00 H new ATOM 0 HB THR A 11 -5.601 -8.197 -6.444 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.526 -9.455 -8.092 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.184 -7.075 -8.138 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.072 -6.259 -6.560 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.755 -7.324 -7.107 1.00 0.00 H new ATOM 173 N ALA A 12 -5.228 -6.560 -4.279 1.00 0.00 N ATOM 174 CA ALA A 12 -5.447 -5.261 -3.643 1.00 0.00 C ATOM 175 C ALA A 12 -4.471 -5.047 -2.479 1.00 0.00 C ATOM 176 O ALA A 12 -3.798 -4.021 -2.388 1.00 0.00 O ATOM 177 CB ALA A 12 -6.887 -5.218 -3.123 1.00 0.00 C ATOM 0 H ALA A 12 -6.065 -6.953 -4.710 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.277 -4.469 -4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.072 -4.257 -2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.578 -5.348 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.036 -6.019 -2.399 1.00 0.00 H new ATOM 183 N LEU A 13 -4.427 -6.034 -1.595 1.00 0.00 N ATOM 184 CA LEU A 13 -3.566 -5.995 -0.415 1.00 0.00 C ATOM 185 C LEU A 13 -2.097 -5.793 -0.795 1.00 0.00 C ATOM 186 O LEU A 13 -1.383 -5.032 -0.144 1.00 0.00 O ATOM 187 CB LEU A 13 -3.711 -7.318 0.353 1.00 0.00 C ATOM 188 CG LEU A 13 -5.050 -7.372 1.118 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.207 -6.859 0.250 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.339 -8.824 1.525 1.00 0.00 C ATOM 0 H LEU A 13 -4.985 -6.884 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.874 -5.153 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.652 -8.155 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.883 -7.428 1.054 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.968 -6.735 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.137 -6.909 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.014 -5.826 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.293 -7.477 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.284 -8.869 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.402 -9.446 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.536 -9.189 2.166 1.00 0.00 H new ATOM 202 N ARG A 14 -1.647 -6.485 -1.837 1.00 0.00 N ATOM 203 CA ARG A 14 -0.258 -6.375 -2.271 1.00 0.00 C ATOM 204 C ARG A 14 0.145 -4.915 -2.415 1.00 0.00 C ATOM 205 O ARG A 14 1.208 -4.499 -1.953 1.00 0.00 O ATOM 206 CB ARG A 14 -0.068 -7.082 -3.611 1.00 0.00 C ATOM 207 CG ARG A 14 -0.380 -8.569 -3.452 1.00 0.00 C ATOM 208 CD ARG A 14 -0.070 -9.289 -4.764 1.00 0.00 C ATOM 209 NE ARG A 14 -0.181 -10.731 -4.591 1.00 0.00 N ATOM 210 CZ ARG A 14 -0.088 -11.553 -5.629 1.00 0.00 C ATOM 211 NH1 ARG A 14 0.095 -11.070 -6.827 1.00 0.00 N ATOM 212 NH2 ARG A 14 -0.182 -12.843 -5.453 1.00 0.00 N ATOM 0 H ARG A 14 -2.218 -7.122 -2.392 1.00 0.00 H new ATOM 0 HA ARG A 14 0.371 -6.846 -1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.722 -6.641 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.955 -6.950 -3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.213 -8.993 -2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.428 -8.707 -3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.758 -8.956 -5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.935 -9.033 -5.098 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.332 -11.115 -3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.166 -10.062 -6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.167 -11.700 -7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.327 -13.221 -4.517 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.110 -13.473 -6.252 1.00 0.00 H new ATOM 226 N ILE A 15 -0.716 -4.148 -3.064 1.00 0.00 N ATOM 227 CA ILE A 15 -0.466 -2.734 -3.282 1.00 0.00 C ATOM 228 C ILE A 15 -0.446 -1.982 -1.955 1.00 0.00 C ATOM 229 O ILE A 15 -0.100 -0.802 -1.901 1.00 0.00 O ATOM 230 CB ILE A 15 -1.559 -2.171 -4.194 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.541 -2.925 -5.545 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.316 -0.675 -4.426 1.00 0.00 C ATOM 233 CD1 ILE A 15 -2.935 -2.897 -6.177 1.00 0.00 C ATOM 0 H ILE A 15 -1.598 -4.484 -3.450 1.00 0.00 H new ATOM 0 HA ILE A 15 0.508 -2.608 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.532 -2.304 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.818 -2.465 -6.218 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.223 -3.956 -5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.095 -0.276 -5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.336 -0.151 -3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.343 -0.533 -4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.914 -3.430 -7.128 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.648 -3.378 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.237 -1.863 -6.347 1.00 0.00 H new ATOM 245 N ALA A 16 -0.815 -2.682 -0.881 1.00 0.00 N ATOM 246 CA ALA A 16 -0.836 -2.090 0.454 1.00 0.00 C ATOM 247 C ALA A 16 0.417 -2.468 1.228 1.00 0.00 C ATOM 248 O ALA A 16 0.746 -1.842 2.235 1.00 0.00 O ATOM 249 CB ALA A 16 -2.090 -2.529 1.210 1.00 0.00 C ATOM 0 H ALA A 16 -1.103 -3.660 -0.912 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.857 -1.005 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.092 -2.080 2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.976 -2.205 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.097 -3.615 1.303 1.00 0.00 H new ATOM 255 N LEU A 17 1.132 -3.468 0.735 1.00 0.00 N ATOM 256 CA LEU A 17 2.371 -3.877 1.380 1.00 0.00 C ATOM 257 C LEU A 17 3.428 -2.819 1.085 1.00 0.00 C ATOM 258 O LEU A 17 4.350 -2.603 1.870 1.00 0.00 O ATOM 259 CB LEU A 17 2.822 -5.260 0.855 1.00 0.00 C ATOM 260 CG LEU A 17 2.356 -6.388 1.799 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.060 -6.278 3.170 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.832 -6.310 1.984 1.00 0.00 C ATOM 0 H LEU A 17 0.882 -4.004 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 17 2.224 -3.966 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.415 -5.425 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.908 -5.282 0.764 1.00 0.00 H new ATOM 0 HG LEU A 17 2.619 -7.348 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.717 -7.083 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.138 -6.357 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.822 -5.317 3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.505 -7.108 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.567 -5.345 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.342 -6.422 1.017 1.00 0.00 H new ATOM 274 N ALA A 18 3.266 -2.156 -0.055 1.00 0.00 N ATOM 275 CA ALA A 18 4.189 -1.108 -0.458 1.00 0.00 C ATOM 276 C ALA A 18 4.243 -0.022 0.604 1.00 0.00 C ATOM 277 O ALA A 18 5.316 0.461 0.951 1.00 0.00 O ATOM 278 CB ALA A 18 3.745 -0.522 -1.796 1.00 0.00 C ATOM 0 H ALA A 18 2.506 -2.327 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 18 5.187 -1.531 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.438 0.264 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.736 -1.307 -2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.744 -0.104 -1.696 1.00 0.00 H new ATOM 284 N ALA A 19 3.078 0.351 1.131 1.00 0.00 N ATOM 285 CA ALA A 19 3.028 1.375 2.174 1.00 0.00 C ATOM 286 C ALA A 19 4.169 1.143 3.167 1.00 0.00 C ATOM 287 O ALA A 19 4.742 2.088 3.710 1.00 0.00 O ATOM 288 CB ALA A 19 1.678 1.333 2.891 1.00 0.00 C ATOM 0 H ALA A 19 2.172 -0.031 0.860 1.00 0.00 H new ATOM 0 HA ALA A 19 3.143 2.360 1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.653 2.100 3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.879 1.516 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.538 0.353 3.347 1.00 0.00 H new ATOM 294 N ARG A 20 4.499 -0.132 3.374 1.00 0.00 N ATOM 295 CA ARG A 20 5.582 -0.501 4.274 1.00 0.00 C ATOM 296 C ARG A 20 6.925 -0.093 3.671 1.00 0.00 C ATOM 297 O ARG A 20 7.791 0.439 4.365 1.00 0.00 O ATOM 298 CB ARG A 20 5.568 -2.011 4.519 1.00 0.00 C ATOM 299 CG ARG A 20 6.502 -2.352 5.682 1.00 0.00 C ATOM 300 CD ARG A 20 6.374 -3.840 6.023 1.00 0.00 C ATOM 301 NE ARG A 20 5.136 -4.086 6.752 1.00 0.00 N ATOM 302 CZ ARG A 20 4.622 -5.309 6.843 1.00 0.00 C ATOM 303 NH1 ARG A 20 5.224 -6.315 6.268 1.00 0.00 N ATOM 304 NH2 ARG A 20 3.515 -5.502 7.507 1.00 0.00 N ATOM 0 H ARG A 20 4.031 -0.922 2.930 1.00 0.00 H new ATOM 0 HA ARG A 20 5.442 0.018 5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.555 -2.344 4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.884 -2.538 3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.532 -2.117 5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.252 -1.746 6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.390 -4.433 5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.227 -4.157 6.623 1.00 0.00 H new ATOM 0 HE ARG A 20 4.655 -3.306 7.200 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.089 -6.163 5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.830 -7.253 6.338 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.045 -4.715 7.955 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.120 -6.440 7.578 1.00 0.00 H new ATOM 318 N ALA A 21 7.088 -0.341 2.370 1.00 0.00 N ATOM 319 CA ALA A 21 8.326 0.013 1.683 1.00 0.00 C ATOM 320 C ALA A 21 8.606 1.491 1.847 1.00 0.00 C ATOM 321 O ALA A 21 9.662 1.985 1.452 1.00 0.00 O ATOM 322 CB ALA A 21 8.207 -0.284 0.187 1.00 0.00 C ATOM 0 H ALA A 21 6.384 -0.782 1.778 1.00 0.00 H new ATOM 0 HA ALA A 21 9.134 -0.576 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.138 -0.015 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.011 -1.346 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.387 0.297 -0.235 1.00 0.00 H new ATOM 328 N LEU A 22 7.641 2.197 2.420 1.00 0.00 N ATOM 329 CA LEU A 22 7.756 3.631 2.628 1.00 0.00 C ATOM 330 C LEU A 22 7.746 3.931 4.132 1.00 0.00 C ATOM 331 O LEU A 22 7.099 3.219 4.898 1.00 0.00 O ATOM 332 CB LEU A 22 6.571 4.332 1.955 1.00 0.00 C ATOM 333 CG LEU A 22 6.294 3.723 0.564 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.987 4.305 0.016 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.462 4.026 -0.406 1.00 0.00 C ATOM 0 H LEU A 22 6.764 1.795 2.751 1.00 0.00 H new ATOM 0 HA LEU A 22 8.689 3.993 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.684 4.239 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.781 5.397 1.856 1.00 0.00 H new ATOM 0 HG LEU A 22 6.204 2.641 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.783 3.880 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.168 4.062 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.078 5.388 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.248 3.588 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.578 5.105 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.383 3.598 -0.011 1.00 0.00 H new ATOM 347 N PRO A 23 8.439 4.952 4.576 1.00 0.00 N ATOM 348 CA PRO A 23 8.484 5.307 6.028 1.00 0.00 C ATOM 349 C PRO A 23 7.103 5.639 6.607 1.00 0.00 C ATOM 350 O PRO A 23 6.503 4.820 7.304 1.00 0.00 O ATOM 351 CB PRO A 23 9.433 6.522 6.089 1.00 0.00 C ATOM 352 CG PRO A 23 9.468 7.067 4.697 1.00 0.00 C ATOM 353 CD PRO A 23 9.258 5.873 3.768 1.00 0.00 C ATOM 0 HA PRO A 23 8.829 4.469 6.634 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.070 7.269 6.795 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.428 6.227 6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.689 7.815 4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.421 7.556 4.494 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.748 6.163 2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.205 5.419 3.477 1.00 0.00 H new ATOM 361 N GLY A 24 6.614 6.854 6.342 1.00 0.00 N ATOM 362 CA GLY A 24 5.316 7.290 6.875 1.00 0.00 C ATOM 363 C GLY A 24 4.233 7.363 5.800 1.00 0.00 C ATOM 364 O GLY A 24 3.055 7.528 6.116 1.00 0.00 O ATOM 0 H GLY A 24 7.091 7.549 5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.999 6.601 7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.429 8.270 7.339 1.00 0.00 H new ATOM 368 N THR A 25 4.621 7.247 4.535 1.00 0.00 N ATOM 369 CA THR A 25 3.643 7.315 3.453 1.00 0.00 C ATOM 370 C THR A 25 2.611 6.200 3.590 1.00 0.00 C ATOM 371 O THR A 25 2.960 5.035 3.774 1.00 0.00 O ATOM 372 CB THR A 25 4.341 7.202 2.098 1.00 0.00 C ATOM 373 OG1 THR A 25 5.499 8.024 2.093 1.00 0.00 O ATOM 374 CG2 THR A 25 3.386 7.647 0.990 1.00 0.00 C ATOM 0 H THR A 25 5.586 7.108 4.236 1.00 0.00 H new ATOM 0 HA THR A 25 3.135 8.277 3.516 1.00 0.00 H new ATOM 0 HB THR A 25 4.633 6.166 1.924 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.948 7.951 1.225 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.886 7.566 0.025 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.501 7.011 0.995 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.090 8.682 1.159 1.00 0.00 H new ATOM 382 N THR A 26 1.336 6.571 3.506 1.00 0.00 N ATOM 383 CA THR A 26 0.247 5.608 3.629 1.00 0.00 C ATOM 384 C THR A 26 -0.060 4.968 2.273 1.00 0.00 C ATOM 385 O THR A 26 0.396 5.439 1.231 1.00 0.00 O ATOM 386 CB THR A 26 -1.006 6.331 4.186 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.687 7.696 4.410 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.448 5.703 5.509 1.00 0.00 C ATOM 0 H THR A 26 1.032 7.533 3.353 1.00 0.00 H new ATOM 0 HA THR A 26 0.541 4.813 4.314 1.00 0.00 H new ATOM 0 HB THR A 26 -1.817 6.239 3.463 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.415 8.125 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.329 6.225 5.883 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.689 4.652 5.350 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.641 5.784 6.238 1.00 0.00 H new ATOM 396 N VAL A 27 -0.837 3.892 2.307 1.00 0.00 N ATOM 397 CA VAL A 27 -1.205 3.184 1.086 1.00 0.00 C ATOM 398 C VAL A 27 -1.925 4.113 0.121 1.00 0.00 C ATOM 399 O VAL A 27 -1.491 4.307 -1.015 1.00 0.00 O ATOM 400 CB VAL A 27 -2.140 2.010 1.405 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.350 1.168 0.142 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.545 1.126 2.504 1.00 0.00 C ATOM 0 H VAL A 27 -1.223 3.492 3.162 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.285 2.817 0.631 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.092 2.410 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.014 0.334 0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.795 1.786 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.390 0.785 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.224 0.300 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.585 0.731 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.402 1.717 3.409 1.00 0.00 H new ATOM 412 N GLY A 28 -3.044 4.657 0.575 1.00 0.00 N ATOM 413 CA GLY A 28 -3.851 5.536 -0.256 1.00 0.00 C ATOM 414 C GLY A 28 -3.181 6.882 -0.513 1.00 0.00 C ATOM 415 O GLY A 28 -3.821 7.792 -1.038 1.00 0.00 O ATOM 0 H GLY A 28 -3.413 4.505 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.050 5.046 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.815 5.701 0.226 1.00 0.00 H new ATOM 419 N GLN A 29 -1.898 7.023 -0.158 1.00 0.00 N ATOM 420 CA GLN A 29 -1.195 8.292 -0.388 1.00 0.00 C ATOM 421 C GLN A 29 -0.302 8.194 -1.619 1.00 0.00 C ATOM 422 O GLN A 29 0.001 9.200 -2.259 1.00 0.00 O ATOM 423 CB GLN A 29 -0.349 8.660 0.839 1.00 0.00 C ATOM 424 CG GLN A 29 -1.249 9.188 1.965 1.00 0.00 C ATOM 425 CD GLN A 29 -0.404 9.891 3.022 1.00 0.00 C ATOM 426 OE1 GLN A 29 0.825 9.867 2.951 1.00 0.00 O ATOM 427 NE2 GLN A 29 -0.992 10.519 4.003 1.00 0.00 N ATOM 0 H GLN A 29 -1.336 6.293 0.280 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.939 9.070 -0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.203 7.786 1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.388 9.416 0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.987 9.880 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.801 8.364 2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.010 10.537 4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.433 10.992 4.714 1.00 0.00 H new ATOM 436 N LEU A 30 0.122 6.978 -1.943 1.00 0.00 N ATOM 437 CA LEU A 30 0.991 6.755 -3.096 1.00 0.00 C ATOM 438 C LEU A 30 0.167 6.572 -4.374 1.00 0.00 C ATOM 439 O LEU A 30 0.644 6.863 -5.471 1.00 0.00 O ATOM 440 CB LEU A 30 1.868 5.525 -2.824 1.00 0.00 C ATOM 441 CG LEU A 30 2.636 5.091 -4.081 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.534 6.235 -4.561 1.00 0.00 C ATOM 443 CD2 LEU A 30 3.507 3.877 -3.739 1.00 0.00 C ATOM 0 H LEU A 30 -0.120 6.133 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 30 1.628 7.627 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.574 5.750 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.244 4.702 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 30 1.928 4.834 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.077 5.922 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.921 7.105 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.245 6.494 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.056 3.562 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.212 4.145 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.873 3.060 -3.395 1.00 0.00 H new ATOM 455 N LEU A 31 -1.069 6.090 -4.239 1.00 0.00 N ATOM 456 CA LEU A 31 -1.929 5.877 -5.405 1.00 0.00 C ATOM 457 C LEU A 31 -2.696 7.154 -5.755 1.00 0.00 C ATOM 458 O LEU A 31 -2.858 7.488 -6.930 1.00 0.00 O ATOM 459 CB LEU A 31 -2.926 4.744 -5.119 1.00 0.00 C ATOM 460 CG LEU A 31 -2.262 3.672 -4.255 1.00 0.00 C ATOM 461 CD1 LEU A 31 -3.241 2.518 -4.037 1.00 0.00 C ATOM 462 CD2 LEU A 31 -1.008 3.151 -4.959 1.00 0.00 C ATOM 0 H LEU A 31 -1.494 5.842 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.297 5.605 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.804 5.141 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.271 4.306 -6.056 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.984 4.102 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.769 1.752 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.134 2.889 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.518 2.089 -5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.535 2.387 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.283 2.721 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.310 3.974 -5.115 1.00 0.00 H new ATOM 474 N GLU A 32 -3.183 7.843 -4.725 1.00 0.00 N ATOM 475 CA GLU A 32 -3.957 9.074 -4.905 1.00 0.00 C ATOM 476 C GLU A 32 -3.468 9.888 -6.101 1.00 0.00 C ATOM 477 O GLU A 32 -4.237 10.637 -6.705 1.00 0.00 O ATOM 478 CB GLU A 32 -3.857 9.930 -3.643 1.00 0.00 C ATOM 479 CG GLU A 32 -4.871 11.070 -3.711 1.00 0.00 C ATOM 480 CD GLU A 32 -4.711 11.980 -2.498 1.00 0.00 C ATOM 481 OE1 GLU A 32 -3.653 12.572 -2.361 1.00 0.00 O ATOM 482 OE2 GLU A 32 -5.648 12.069 -1.722 1.00 0.00 O ATOM 0 H GLU A 32 -3.055 7.569 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.992 8.788 -5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.043 9.317 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.849 10.333 -3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.727 11.642 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.883 10.667 -3.743 1.00 0.00 H new ATOM 489 N ILE A 33 -2.194 9.745 -6.438 1.00 0.00 N ATOM 490 CA ILE A 33 -1.629 10.480 -7.564 1.00 0.00 C ATOM 491 C ILE A 33 -2.548 10.388 -8.780 1.00 0.00 C ATOM 492 O ILE A 33 -2.800 11.388 -9.452 1.00 0.00 O ATOM 493 CB ILE A 33 -0.246 9.927 -7.914 1.00 0.00 C ATOM 494 CG1 ILE A 33 0.630 9.927 -6.657 1.00 0.00 C ATOM 495 CG2 ILE A 33 0.395 10.816 -8.982 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.959 9.233 -6.952 1.00 0.00 C ATOM 0 H ILE A 33 -1.536 9.133 -5.954 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.532 11.527 -7.278 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.340 8.909 -8.293 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.809 10.950 -6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.115 9.416 -5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.381 10.427 -9.236 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.232 10.824 -9.873 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.493 11.832 -8.599 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.578 9.236 -6.055 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.772 8.204 -7.260 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.477 9.763 -7.752 1.00 0.00 H new ATOM 508 N LEU A 34 -3.049 9.187 -9.056 1.00 0.00 N ATOM 509 CA LEU A 34 -3.943 8.988 -10.193 1.00 0.00 C ATOM 510 C LEU A 34 -5.229 9.790 -10.001 1.00 0.00 C ATOM 511 O LEU A 34 -5.412 10.843 -10.613 1.00 0.00 O ATOM 512 CB LEU A 34 -4.277 7.496 -10.344 1.00 0.00 C ATOM 513 CG LEU A 34 -3.118 6.755 -11.032 1.00 0.00 C ATOM 514 CD1 LEU A 34 -2.980 7.189 -12.507 1.00 0.00 C ATOM 515 CD2 LEU A 34 -1.815 7.047 -10.278 1.00 0.00 C ATOM 0 H LEU A 34 -2.854 8.345 -8.514 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.442 9.335 -11.097 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.466 7.058 -9.364 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.190 7.378 -10.928 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.326 5.685 -11.013 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.153 6.650 -12.969 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.903 6.964 -13.040 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.786 8.261 -12.554 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.990 6.524 -10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.621 8.120 -10.289 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.907 6.705 -9.247 1.00 0.00 H new ATOM 527 N HIS A 35 -6.113 9.287 -9.146 1.00 0.00 N ATOM 528 CA HIS A 35 -7.377 9.965 -8.881 1.00 0.00 C ATOM 529 C HIS A 35 -8.132 10.226 -10.183 1.00 0.00 C ATOM 530 O HIS A 35 -7.568 10.119 -11.272 1.00 0.00 O ATOM 531 CB HIS A 35 -7.110 11.292 -8.166 1.00 0.00 C ATOM 532 CG HIS A 35 -8.410 12.022 -7.957 1.00 0.00 C ATOM 533 ND1 HIS A 35 -9.488 11.873 -8.814 1.00 0.00 N ATOM 534 CD2 HIS A 35 -8.815 12.917 -6.997 1.00 0.00 C ATOM 535 CE1 HIS A 35 -10.482 12.660 -8.360 1.00 0.00 C ATOM 536 NE2 HIS A 35 -10.124 13.319 -7.254 1.00 0.00 N ATOM 0 H HIS A 35 -5.979 8.419 -8.628 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.989 9.324 -8.246 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.625 11.109 -7.207 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.428 11.904 -8.756 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.211 13.257 -6.169 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.450 12.748 -8.832 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.688 13.975 -6.714 1.00 0.00 H new ATOM 545 N GLN A 36 -9.411 10.569 -10.059 1.00 0.00 N ATOM 546 CA GLN A 36 -10.239 10.846 -11.229 1.00 0.00 C ATOM 547 C GLN A 36 -10.075 9.745 -12.280 1.00 0.00 C ATOM 548 O GLN A 36 -10.301 8.570 -11.994 1.00 0.00 O ATOM 549 CB GLN A 36 -9.857 12.204 -11.827 1.00 0.00 C ATOM 550 CG GLN A 36 -9.750 13.244 -10.710 1.00 0.00 C ATOM 551 CD GLN A 36 -9.741 14.647 -11.302 1.00 0.00 C ATOM 552 OE1 GLN A 36 -10.243 14.861 -12.405 1.00 0.00 O ATOM 553 NE2 GLN A 36 -9.192 15.621 -10.629 1.00 0.00 N ATOM 0 H GLN A 36 -9.895 10.661 -9.166 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.283 10.872 -10.918 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.908 12.125 -12.357 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.605 12.515 -12.557 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.588 13.137 -10.021 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.840 13.078 -10.134 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.777 15.439 -9.715 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.178 16.564 -11.017 1.00 0.00 H new ATOM 562 N ARG A 37 -9.685 10.140 -13.492 1.00 0.00 N ATOM 563 CA ARG A 37 -9.493 9.191 -14.588 1.00 0.00 C ATOM 564 C ARG A 37 -10.778 8.424 -14.874 1.00 0.00 C ATOM 565 O ARG A 37 -11.457 7.959 -13.960 1.00 0.00 O ATOM 566 CB ARG A 37 -8.362 8.207 -14.257 1.00 0.00 C ATOM 567 CG ARG A 37 -7.005 8.930 -14.311 1.00 0.00 C ATOM 568 CD ARG A 37 -6.674 9.366 -15.753 1.00 0.00 C ATOM 569 NE ARG A 37 -5.231 9.320 -15.976 1.00 0.00 N ATOM 570 CZ ARG A 37 -4.727 9.241 -17.205 1.00 0.00 C ATOM 571 NH1 ARG A 37 -5.527 9.217 -18.236 1.00 0.00 N ATOM 572 NH2 ARG A 37 -3.434 9.193 -17.382 1.00 0.00 N ATOM 0 H ARG A 37 -9.496 11.111 -13.739 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.220 9.758 -15.478 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.518 7.781 -13.266 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.371 7.378 -14.965 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.027 9.803 -13.658 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.222 8.271 -13.937 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.180 8.712 -16.463 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.044 10.376 -15.929 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.599 9.349 -15.176 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.537 9.259 -18.099 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.142 9.156 -19.179 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.808 9.216 -16.577 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.050 9.132 -18.325 1.00 0.00 H new ATOM 586 N ILE A 38 -11.105 8.298 -16.159 1.00 0.00 N ATOM 587 CA ILE A 38 -12.313 7.587 -16.564 1.00 0.00 C ATOM 588 C ILE A 38 -12.171 6.097 -16.253 1.00 0.00 C ATOM 589 O ILE A 38 -13.161 5.369 -16.177 1.00 0.00 O ATOM 590 CB ILE A 38 -12.575 7.782 -18.072 1.00 0.00 C ATOM 591 CG1 ILE A 38 -12.129 9.184 -18.525 1.00 0.00 C ATOM 592 CG2 ILE A 38 -14.070 7.605 -18.370 1.00 0.00 C ATOM 593 CD1 ILE A 38 -12.808 10.266 -17.679 1.00 0.00 C ATOM 0 H ILE A 38 -10.555 8.676 -16.930 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.157 7.993 -16.006 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.000 7.034 -18.618 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.046 9.273 -18.438 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.377 9.328 -19.577 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.247 7.744 -19.436 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -14.383 6.603 -18.078 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.643 8.342 -17.808 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.480 11.250 -18.015 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -13.890 10.188 -17.788 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.538 10.131 -16.632 1.00 0.00 H new ATOM 605 N GLU A 39 -10.929 5.656 -16.080 1.00 0.00 N ATOM 606 CA GLU A 39 -10.651 4.252 -15.786 1.00 0.00 C ATOM 607 C GLU A 39 -11.584 3.724 -14.699 1.00 0.00 C ATOM 608 O GLU A 39 -12.387 4.469 -14.136 1.00 0.00 O ATOM 609 CB GLU A 39 -9.196 4.093 -15.338 1.00 0.00 C ATOM 610 CG GLU A 39 -8.267 4.710 -16.386 1.00 0.00 C ATOM 611 CD GLU A 39 -8.429 3.989 -17.720 1.00 0.00 C ATOM 612 OE1 GLU A 39 -7.967 2.865 -17.824 1.00 0.00 O ATOM 613 OE2 GLU A 39 -9.016 4.571 -18.618 1.00 0.00 O ATOM 0 H GLU A 39 -10.100 6.248 -16.138 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.820 3.674 -16.695 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.047 4.579 -14.374 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.959 3.038 -15.204 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.495 5.769 -16.506 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.232 4.642 -16.051 1.00 0.00 H new ATOM 620 N GLY A 40 -11.472 2.425 -14.418 1.00 0.00 N ATOM 621 CA GLY A 40 -12.309 1.779 -13.402 1.00 0.00 C ATOM 622 C GLY A 40 -11.513 0.755 -12.594 1.00 0.00 C ATOM 623 O GLY A 40 -11.308 0.931 -11.395 1.00 0.00 O ATOM 0 H GLY A 40 -10.811 1.799 -14.878 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.719 2.535 -12.732 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.154 1.287 -13.883 1.00 0.00 H new ATOM 627 N PRO A 41 -11.077 -0.307 -13.222 1.00 0.00 N ATOM 628 CA PRO A 41 -10.294 -1.386 -12.544 1.00 0.00 C ATOM 629 C PRO A 41 -8.827 -1.004 -12.337 1.00 0.00 C ATOM 630 O PRO A 41 -8.018 -1.102 -13.259 1.00 0.00 O ATOM 631 CB PRO A 41 -10.427 -2.568 -13.512 1.00 0.00 C ATOM 632 CG PRO A 41 -10.550 -1.938 -14.864 1.00 0.00 C ATOM 633 CD PRO A 41 -11.283 -0.603 -14.651 1.00 0.00 C ATOM 0 HA PRO A 41 -10.663 -1.598 -11.540 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.558 -3.224 -13.458 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.301 -3.176 -13.277 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.568 -1.776 -15.309 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.106 -2.583 -15.545 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.873 0.183 -15.285 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.343 -0.686 -14.893 1.00 0.00 H new ATOM 641 N LEU A 42 -8.490 -0.579 -11.120 1.00 0.00 N ATOM 642 CA LEU A 42 -7.112 -0.200 -10.811 1.00 0.00 C ATOM 643 C LEU A 42 -6.281 -1.443 -10.514 1.00 0.00 C ATOM 644 O LEU A 42 -5.805 -1.627 -9.394 1.00 0.00 O ATOM 645 CB LEU A 42 -7.066 0.736 -9.592 1.00 0.00 C ATOM 646 CG LEU A 42 -7.586 2.139 -9.953 1.00 0.00 C ATOM 647 CD1 LEU A 42 -6.680 2.807 -11.004 1.00 0.00 C ATOM 648 CD2 LEU A 42 -9.022 2.038 -10.482 1.00 0.00 C ATOM 0 H LEU A 42 -9.142 -0.489 -10.341 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.702 0.320 -11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.668 0.318 -8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.043 0.807 -9.222 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.574 2.755 -9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.068 3.797 -11.243 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.669 2.900 -10.607 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.660 2.198 -11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.387 3.033 -10.737 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.039 1.407 -11.371 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.662 1.602 -9.715 1.00 0.00 H new ATOM 660 N THR A 43 -6.111 -2.291 -11.521 1.00 0.00 N ATOM 661 CA THR A 43 -5.335 -3.513 -11.348 1.00 0.00 C ATOM 662 C THR A 43 -3.898 -3.177 -10.971 1.00 0.00 C ATOM 663 O THR A 43 -3.507 -2.011 -10.952 1.00 0.00 O ATOM 664 CB THR A 43 -5.341 -4.325 -12.644 1.00 0.00 C ATOM 665 OG1 THR A 43 -4.983 -3.481 -13.730 1.00 0.00 O ATOM 666 CG2 THR A 43 -6.738 -4.899 -12.884 1.00 0.00 C ATOM 0 H THR A 43 -6.495 -2.158 -12.456 1.00 0.00 H new ATOM 0 HA THR A 43 -5.788 -4.100 -10.549 1.00 0.00 H new ATOM 0 HB THR A 43 -4.624 -5.142 -12.564 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.108 -3.963 -14.574 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.740 -5.477 -13.808 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.014 -5.545 -12.051 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.457 -4.084 -12.964 1.00 0.00 H new ATOM 674 N GLU A 44 -3.116 -4.209 -10.677 1.00 0.00 N ATOM 675 CA GLU A 44 -1.723 -4.011 -10.308 1.00 0.00 C ATOM 676 C GLU A 44 -0.888 -3.701 -11.548 1.00 0.00 C ATOM 677 O GLU A 44 0.196 -3.125 -11.451 1.00 0.00 O ATOM 678 CB GLU A 44 -1.178 -5.263 -9.622 1.00 0.00 C ATOM 679 CG GLU A 44 -1.294 -6.457 -10.570 1.00 0.00 C ATOM 680 CD GLU A 44 -0.949 -7.744 -9.828 1.00 0.00 C ATOM 681 OE1 GLU A 44 0.085 -7.771 -9.183 1.00 0.00 O ATOM 682 OE2 GLU A 44 -1.724 -8.682 -9.918 1.00 0.00 O ATOM 0 H GLU A 44 -3.421 -5.182 -10.687 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.662 -3.169 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.137 -5.111 -9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.733 -5.459 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.306 -6.518 -10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.623 -6.325 -11.419 1.00 0.00 H new ATOM 689 N GLU A 45 -1.401 -4.092 -12.715 1.00 0.00 N ATOM 690 CA GLU A 45 -0.701 -3.856 -13.978 1.00 0.00 C ATOM 691 C GLU A 45 -1.064 -2.489 -14.548 1.00 0.00 C ATOM 692 O GLU A 45 -0.207 -1.770 -15.060 1.00 0.00 O ATOM 693 CB GLU A 45 -1.074 -4.942 -14.990 1.00 0.00 C ATOM 694 CG GLU A 45 -2.573 -4.876 -15.288 1.00 0.00 C ATOM 695 CD GLU A 45 -3.011 -6.136 -16.026 1.00 0.00 C ATOM 696 OE1 GLU A 45 -3.012 -7.189 -15.410 1.00 0.00 O ATOM 697 OE2 GLU A 45 -3.339 -6.029 -17.196 1.00 0.00 O ATOM 0 H GLU A 45 -2.296 -4.572 -12.812 1.00 0.00 H new ATOM 0 HA GLU A 45 0.372 -3.885 -13.786 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.504 -4.807 -15.909 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.815 -5.925 -14.596 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.133 -4.775 -14.359 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.794 -3.995 -15.891 1.00 0.00 H new ATOM 704 N SER A 46 -2.342 -2.142 -14.460 1.00 0.00 N ATOM 705 CA SER A 46 -2.815 -0.862 -14.976 1.00 0.00 C ATOM 706 C SER A 46 -1.995 0.290 -14.405 1.00 0.00 C ATOM 707 O SER A 46 -1.782 1.302 -15.073 1.00 0.00 O ATOM 708 CB SER A 46 -4.285 -0.669 -14.610 1.00 0.00 C ATOM 709 OG SER A 46 -5.076 -1.577 -15.364 1.00 0.00 O ATOM 0 H SER A 46 -3.066 -2.724 -14.039 1.00 0.00 H new ATOM 0 HA SER A 46 -2.702 -0.867 -16.060 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.432 -0.839 -13.543 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.592 0.357 -14.815 1.00 0.00 H new ATOM 0 HG SER A 46 -5.453 -2.256 -14.767 1.00 0.00 H new ATOM 715 N LEU A 47 -1.539 0.133 -13.169 1.00 0.00 N ATOM 716 CA LEU A 47 -0.743 1.172 -12.524 1.00 0.00 C ATOM 717 C LEU A 47 0.540 1.431 -13.308 1.00 0.00 C ATOM 718 O LEU A 47 1.081 2.536 -13.285 1.00 0.00 O ATOM 719 CB LEU A 47 -0.390 0.747 -11.095 1.00 0.00 C ATOM 720 CG LEU A 47 -1.665 0.640 -10.244 1.00 0.00 C ATOM 721 CD1 LEU A 47 -1.330 -0.071 -8.930 1.00 0.00 C ATOM 722 CD2 LEU A 47 -2.235 2.041 -9.943 1.00 0.00 C ATOM 0 H LEU A 47 -1.704 -0.695 -12.597 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.331 2.089 -12.498 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.128 -0.212 -11.110 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.293 1.471 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.415 0.073 -10.796 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.230 -0.151 -8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.946 -1.069 -9.144 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.575 0.500 -8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.138 1.945 -9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.494 2.626 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.477 2.544 -10.879 1.00 0.00 H new ATOM 734 N GLN A 48 1.022 0.405 -13.997 1.00 0.00 N ATOM 735 CA GLN A 48 2.245 0.525 -14.784 1.00 0.00 C ATOM 736 C GLN A 48 2.069 1.541 -15.906 1.00 0.00 C ATOM 737 O GLN A 48 2.001 1.180 -17.080 1.00 0.00 O ATOM 738 CB GLN A 48 2.618 -0.832 -15.381 1.00 0.00 C ATOM 739 CG GLN A 48 2.777 -1.855 -14.256 1.00 0.00 C ATOM 740 CD GLN A 48 3.308 -3.169 -14.816 1.00 0.00 C ATOM 741 OE1 GLN A 48 2.855 -4.299 -14.345 1.00 0.00 O flip ATOM 742 NE2 GLN A 48 4.159 -3.167 -15.706 1.00 0.00 N flip ATOM 0 H GLN A 48 0.587 -0.517 -14.028 1.00 0.00 H new ATOM 0 HA GLN A 48 3.043 0.866 -14.124 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.847 -1.159 -16.079 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.546 -0.750 -15.947 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.460 -1.471 -13.498 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.818 -2.021 -13.766 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.512 -2.283 -16.073 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.511 -4.050 -16.077 1.00 0.00 H new ATOM 751 N GLY A 49 2.001 2.815 -15.534 1.00 0.00 N ATOM 752 CA GLY A 49 1.837 3.888 -16.513 1.00 0.00 C ATOM 753 C GLY A 49 2.501 5.172 -16.028 1.00 0.00 C ATOM 754 O GLY A 49 2.234 6.255 -16.549 1.00 0.00 O ATOM 0 H GLY A 49 2.056 3.131 -14.566 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.272 3.586 -17.466 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.776 4.066 -16.689 1.00 0.00 H new ATOM 758 N VAL A 50 3.369 5.043 -15.023 1.00 0.00 N ATOM 759 CA VAL A 50 4.075 6.196 -14.459 1.00 0.00 C ATOM 760 C VAL A 50 5.559 5.856 -14.273 1.00 0.00 C ATOM 761 O VAL A 50 5.983 4.734 -14.548 1.00 0.00 O ATOM 762 CB VAL A 50 3.400 6.587 -13.114 1.00 0.00 C ATOM 763 CG1 VAL A 50 4.101 5.926 -11.913 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.423 8.109 -12.931 1.00 0.00 C ATOM 0 H VAL A 50 3.600 4.152 -14.583 1.00 0.00 H new ATOM 0 HA VAL A 50 4.017 7.048 -15.136 1.00 0.00 H new ATOM 0 HB VAL A 50 2.370 6.232 -13.153 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.601 6.223 -10.991 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.056 4.842 -12.017 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.143 6.244 -11.879 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.947 8.369 -11.985 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.455 8.459 -12.926 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.883 8.582 -13.751 1.00 0.00 H new ATOM 774 N SER A 51 6.343 6.824 -13.796 1.00 0.00 N ATOM 775 CA SER A 51 7.776 6.615 -13.560 1.00 0.00 C ATOM 776 C SER A 51 8.046 6.753 -12.071 1.00 0.00 C ATOM 777 O SER A 51 7.207 7.281 -11.357 1.00 0.00 O ATOM 778 CB SER A 51 8.590 7.658 -14.329 1.00 0.00 C ATOM 779 OG SER A 51 8.351 7.508 -15.721 1.00 0.00 O ATOM 0 H SER A 51 6.012 7.761 -13.565 1.00 0.00 H new ATOM 0 HA SER A 51 8.066 5.622 -13.904 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.313 8.662 -14.007 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.652 7.537 -14.116 1.00 0.00 H new ATOM 0 HG SER A 51 8.870 8.176 -16.216 1.00 0.00 H new ATOM 785 N VAL A 52 9.208 6.289 -11.606 1.00 0.00 N ATOM 786 CA VAL A 52 9.539 6.383 -10.180 1.00 0.00 C ATOM 787 C VAL A 52 9.492 7.842 -9.694 1.00 0.00 C ATOM 788 O VAL A 52 8.926 8.134 -8.640 1.00 0.00 O ATOM 789 CB VAL A 52 10.935 5.763 -9.914 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.582 6.395 -8.669 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.798 4.250 -9.685 1.00 0.00 C ATOM 0 H VAL A 52 9.926 5.851 -12.184 1.00 0.00 H new ATOM 0 HA VAL A 52 8.792 5.822 -9.618 1.00 0.00 H new ATOM 0 HB VAL A 52 11.564 5.956 -10.783 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.561 5.946 -8.500 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.697 7.468 -8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.947 6.219 -7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.782 3.820 -9.499 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.154 4.069 -8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.361 3.786 -10.569 1.00 0.00 H new ATOM 801 N THR A 53 10.112 8.745 -10.445 1.00 0.00 N ATOM 802 CA THR A 53 10.148 10.156 -10.056 1.00 0.00 C ATOM 803 C THR A 53 8.743 10.707 -9.822 1.00 0.00 C ATOM 804 O THR A 53 8.572 11.680 -9.099 1.00 0.00 O ATOM 805 CB THR A 53 10.852 10.980 -11.147 1.00 0.00 C ATOM 806 OG1 THR A 53 12.255 10.781 -11.053 1.00 0.00 O ATOM 807 CG2 THR A 53 10.537 12.473 -10.975 1.00 0.00 C ATOM 0 H THR A 53 10.593 8.532 -11.319 1.00 0.00 H new ATOM 0 HA THR A 53 10.702 10.232 -9.120 1.00 0.00 H new ATOM 0 HB THR A 53 10.494 10.654 -12.124 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.707 11.303 -11.748 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.042 13.044 -11.754 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.461 12.629 -11.051 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.884 12.808 -9.997 1.00 0.00 H new ATOM 815 N ASP A 54 7.748 10.104 -10.440 1.00 0.00 N ATOM 816 CA ASP A 54 6.382 10.578 -10.282 1.00 0.00 C ATOM 817 C ASP A 54 5.846 10.229 -8.897 1.00 0.00 C ATOM 818 O ASP A 54 4.996 10.932 -8.349 1.00 0.00 O ATOM 819 CB ASP A 54 5.489 9.955 -11.347 1.00 0.00 C ATOM 820 CG ASP A 54 4.166 10.713 -11.429 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.378 10.591 -10.506 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.963 11.404 -12.414 1.00 0.00 O ATOM 0 H ASP A 54 7.854 9.294 -11.050 1.00 0.00 H new ATOM 0 HA ASP A 54 6.380 11.662 -10.395 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.992 9.979 -12.314 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.303 8.907 -11.110 1.00 0.00 H new ATOM 827 N LEU A 55 6.323 9.118 -8.355 1.00 0.00 N ATOM 828 CA LEU A 55 5.866 8.648 -7.048 1.00 0.00 C ATOM 829 C LEU A 55 6.273 9.588 -5.912 1.00 0.00 C ATOM 830 O LEU A 55 5.411 10.137 -5.232 1.00 0.00 O ATOM 831 CB LEU A 55 6.426 7.249 -6.760 1.00 0.00 C ATOM 832 CG LEU A 55 5.747 6.207 -7.669 1.00 0.00 C ATOM 833 CD1 LEU A 55 6.026 6.537 -9.136 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.304 4.816 -7.339 1.00 0.00 C ATOM 0 H LEU A 55 7.025 8.524 -8.796 1.00 0.00 H new ATOM 0 HA LEU A 55 4.777 8.620 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.503 7.239 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.262 6.992 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 55 4.670 6.223 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.543 5.796 -9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.633 7.527 -9.367 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.101 6.523 -9.314 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.828 4.072 -7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.381 4.805 -7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.099 4.581 -6.295 1.00 0.00 H new ATOM 846 N LYS A 56 7.579 9.749 -5.682 1.00 0.00 N ATOM 847 CA LYS A 56 8.044 10.601 -4.581 1.00 0.00 C ATOM 848 C LYS A 56 7.497 12.021 -4.664 1.00 0.00 C ATOM 849 O LYS A 56 7.173 12.625 -3.642 1.00 0.00 O ATOM 850 CB LYS A 56 9.571 10.668 -4.552 1.00 0.00 C ATOM 851 CG LYS A 56 10.024 11.419 -3.294 1.00 0.00 C ATOM 852 CD LYS A 56 11.515 11.164 -3.033 1.00 0.00 C ATOM 853 CE LYS A 56 12.314 11.357 -4.323 1.00 0.00 C ATOM 854 NZ LYS A 56 13.759 11.521 -3.996 1.00 0.00 N ATOM 0 H LYS A 56 8.320 9.312 -6.229 1.00 0.00 H new ATOM 0 HA LYS A 56 7.668 10.141 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.990 9.662 -4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.941 11.174 -5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.846 12.487 -3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.436 11.094 -2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.880 11.846 -2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.658 10.152 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.175 10.499 -4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.951 12.233 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.301 11.652 -4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.884 12.353 -3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.101 10.673 -3.501 1.00 0.00 H new ATOM 868 N ILE A 57 7.396 12.557 -5.871 1.00 0.00 N ATOM 869 CA ILE A 57 6.884 13.911 -6.034 1.00 0.00 C ATOM 870 C ILE A 57 5.380 13.919 -5.807 1.00 0.00 C ATOM 871 O ILE A 57 4.795 14.952 -5.507 1.00 0.00 O ATOM 872 CB ILE A 57 7.229 14.458 -7.430 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.404 13.714 -8.490 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.730 14.251 -7.684 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.824 14.141 -9.905 1.00 0.00 C ATOM 0 H ILE A 57 7.656 12.087 -6.738 1.00 0.00 H new ATOM 0 HA ILE A 57 7.356 14.560 -5.296 1.00 0.00 H new ATOM 0 HB ILE A 57 6.994 15.521 -7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.539 12.639 -8.374 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.344 13.919 -8.343 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.988 14.635 -8.671 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.304 14.784 -6.926 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.964 13.188 -7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.227 13.602 -10.640 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.665 15.213 -10.024 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.879 13.912 -10.056 1.00 0.00 H new ATOM 887 N GLY A 58 4.763 12.752 -5.953 1.00 0.00 N ATOM 888 CA GLY A 58 3.323 12.627 -5.765 1.00 0.00 C ATOM 889 C GLY A 58 2.910 12.917 -4.323 1.00 0.00 C ATOM 890 O GLY A 58 1.841 13.476 -4.080 1.00 0.00 O ATOM 0 H GLY A 58 5.235 11.882 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.808 13.315 -6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.007 11.620 -6.038 1.00 0.00 H new ATOM 894 N LEU A 59 3.752 12.527 -3.367 1.00 0.00 N ATOM 895 CA LEU A 59 3.435 12.754 -1.958 1.00 0.00 C ATOM 896 C LEU A 59 3.647 14.214 -1.582 1.00 0.00 C ATOM 897 O LEU A 59 2.733 14.867 -1.079 1.00 0.00 O ATOM 898 CB LEU A 59 4.294 11.861 -1.050 1.00 0.00 C ATOM 899 CG LEU A 59 4.056 10.363 -1.347 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.556 10.029 -1.279 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.608 9.994 -2.736 1.00 0.00 C ATOM 0 H LEU A 59 4.643 12.061 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 59 2.385 12.499 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.348 12.099 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.060 12.068 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 59 4.582 9.781 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.409 8.970 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.178 10.255 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.017 10.625 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.432 8.936 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.105 10.590 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.679 10.195 -2.767 1.00 0.00 H new ATOM 913 N ALA A 60 4.847 14.731 -1.822 1.00 0.00 N ATOM 914 CA ALA A 60 5.137 16.120 -1.492 1.00 0.00 C ATOM 915 C ALA A 60 4.507 17.056 -2.520 1.00 0.00 C ATOM 916 O ALA A 60 4.116 18.176 -2.189 1.00 0.00 O ATOM 917 CB ALA A 60 6.659 16.331 -1.438 1.00 0.00 C ATOM 0 H ALA A 60 5.624 14.217 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 60 4.710 16.349 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.874 17.371 -1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.090 15.681 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.094 16.091 -2.408 1.00 0.00 H new ATOM 923 N GLY A 61 4.404 16.599 -3.767 1.00 0.00 N ATOM 924 CA GLY A 61 3.809 17.437 -4.809 1.00 0.00 C ATOM 925 C GLY A 61 4.789 18.506 -5.286 1.00 0.00 C ATOM 926 O GLY A 61 4.474 19.283 -6.186 1.00 0.00 O ATOM 0 H GLY A 61 4.715 15.678 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.508 16.815 -5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.907 17.913 -4.425 1.00 0.00 H new ATOM 930 N SER A 62 5.977 18.551 -4.674 1.00 0.00 N ATOM 931 CA SER A 62 6.991 19.545 -5.046 1.00 0.00 C ATOM 932 C SER A 62 8.352 18.895 -5.269 1.00 0.00 C ATOM 933 O SER A 62 9.086 18.622 -4.319 1.00 0.00 O ATOM 934 CB SER A 62 7.110 20.598 -3.945 1.00 0.00 C ATOM 935 OG SER A 62 8.243 21.418 -4.199 1.00 0.00 O ATOM 0 H SER A 62 6.259 17.918 -3.926 1.00 0.00 H new ATOM 0 HA SER A 62 6.676 20.012 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.207 21.207 -3.909 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.207 20.115 -2.973 1.00 0.00 H new ATOM 0 HG SER A 62 8.321 22.095 -3.495 1.00 0.00 H new ATOM 941 N GLU A 63 8.686 18.662 -6.536 1.00 0.00 N ATOM 942 CA GLU A 63 9.963 18.057 -6.892 1.00 0.00 C ATOM 943 C GLU A 63 11.127 18.836 -6.284 1.00 0.00 C ATOM 944 O GLU A 63 12.285 18.448 -6.432 1.00 0.00 O ATOM 945 CB GLU A 63 10.113 18.021 -8.413 1.00 0.00 C ATOM 946 CG GLU A 63 9.882 19.421 -8.987 1.00 0.00 C ATOM 947 CD GLU A 63 10.245 19.443 -10.468 1.00 0.00 C ATOM 948 OE1 GLU A 63 10.517 18.383 -11.007 1.00 0.00 O ATOM 949 OE2 GLU A 63 10.248 20.521 -11.041 1.00 0.00 O ATOM 0 H GLU A 63 8.088 18.884 -7.332 1.00 0.00 H new ATOM 0 HA GLU A 63 9.981 17.042 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.108 17.667 -8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.398 17.319 -8.842 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.839 19.710 -8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.485 20.149 -8.445 1.00 0.00 H new ATOM 956 N GLU A 64 10.816 19.936 -5.599 1.00 0.00 N ATOM 957 CA GLU A 64 11.851 20.762 -4.975 1.00 0.00 C ATOM 958 C GLU A 64 12.045 20.392 -3.504 1.00 0.00 C ATOM 959 O GLU A 64 13.176 20.301 -3.028 1.00 0.00 O ATOM 960 CB GLU A 64 11.463 22.239 -5.076 1.00 0.00 C ATOM 961 CG GLU A 64 12.683 23.110 -4.774 1.00 0.00 C ATOM 962 CD GLU A 64 12.266 24.572 -4.662 1.00 0.00 C ATOM 963 OE1 GLU A 64 11.808 24.956 -3.599 1.00 0.00 O ATOM 964 OE2 GLU A 64 12.411 25.285 -5.642 1.00 0.00 O ATOM 0 H GLU A 64 9.864 20.275 -5.462 1.00 0.00 H new ATOM 0 HA GLU A 64 12.788 20.583 -5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.084 22.459 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.660 22.464 -4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.151 22.785 -3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.426 22.995 -5.563 1.00 0.00 H new ATOM 971 N ASP A 65 10.941 20.208 -2.778 1.00 0.00 N ATOM 972 CA ASP A 65 11.013 19.881 -1.351 1.00 0.00 C ATOM 973 C ASP A 65 11.142 18.374 -1.110 1.00 0.00 C ATOM 974 O ASP A 65 11.435 17.947 0.006 1.00 0.00 O ATOM 975 CB ASP A 65 9.749 20.399 -0.653 1.00 0.00 C ATOM 976 CG ASP A 65 9.834 21.912 -0.465 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.024 22.602 -1.454 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.708 22.358 0.664 1.00 0.00 O ATOM 0 H ASP A 65 9.994 20.279 -3.149 1.00 0.00 H new ATOM 0 HA ASP A 65 11.904 20.359 -0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.869 20.147 -1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.633 19.911 0.315 1.00 0.00 H new ATOM 983 N VAL A 66 10.920 17.573 -2.144 1.00 0.00 N ATOM 984 CA VAL A 66 11.015 16.126 -1.998 1.00 0.00 C ATOM 985 C VAL A 66 12.365 15.727 -1.413 1.00 0.00 C ATOM 986 O VAL A 66 12.509 14.649 -0.835 1.00 0.00 O ATOM 987 CB VAL A 66 10.817 15.436 -3.349 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.349 15.562 -3.797 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.727 16.078 -4.392 1.00 0.00 C ATOM 0 H VAL A 66 10.676 17.894 -3.081 1.00 0.00 H new ATOM 0 HA VAL A 66 10.228 15.807 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 66 11.069 14.380 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.219 15.068 -4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.701 15.092 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.087 16.616 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.584 15.584 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.482 17.136 -4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.767 15.973 -4.082 1.00 0.00 H new ATOM 999 N ASP A 67 13.351 16.599 -1.562 1.00 0.00 N ATOM 1000 CA ASP A 67 14.680 16.319 -1.034 1.00 0.00 C ATOM 1001 C ASP A 67 14.638 16.252 0.489 1.00 0.00 C ATOM 1002 O ASP A 67 15.579 15.779 1.127 1.00 0.00 O ATOM 1003 CB ASP A 67 15.658 17.410 -1.474 1.00 0.00 C ATOM 1004 CG ASP A 67 17.049 17.116 -0.923 1.00 0.00 C ATOM 1005 OD1 ASP A 67 17.304 17.478 0.214 1.00 0.00 O ATOM 1006 OD2 ASP A 67 17.840 16.532 -1.646 1.00 0.00 O ATOM 0 H ASP A 67 13.260 17.496 -2.038 1.00 0.00 H new ATOM 0 HA ASP A 67 15.015 15.358 -1.423 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.692 17.462 -2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.315 18.382 -1.119 1.00 0.00 H new ATOM 1011 N MET A 68 13.536 16.734 1.064 1.00 0.00 N ATOM 1012 CA MET A 68 13.360 16.740 2.519 1.00 0.00 C ATOM 1013 C MET A 68 12.369 15.661 2.951 1.00 0.00 C ATOM 1014 O MET A 68 12.332 15.274 4.120 1.00 0.00 O ATOM 1015 CB MET A 68 12.847 18.109 2.966 1.00 0.00 C ATOM 1016 CG MET A 68 13.931 19.161 2.725 1.00 0.00 C ATOM 1017 SD MET A 68 13.227 20.815 2.932 1.00 0.00 S ATOM 1018 CE MET A 68 14.781 21.738 2.833 1.00 0.00 C ATOM 0 H MET A 68 12.750 17.126 0.545 1.00 0.00 H new ATOM 0 HA MET A 68 14.324 16.534 2.985 1.00 0.00 H new ATOM 0 HB2 MET A 68 11.943 18.369 2.414 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.579 18.082 4.022 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.755 19.015 3.423 1.00 0.00 H new ATOM 0 HG3 MET A 68 14.341 19.052 1.721 1.00 0.00 H new ATOM 0 HE1 MET A 68 14.579 22.804 2.939 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.448 21.414 3.632 1.00 0.00 H new ATOM 0 HE3 MET A 68 15.254 21.552 1.868 1.00 0.00 H new ATOM 1028 N LEU A 69 11.566 15.182 2.007 1.00 0.00 N ATOM 1029 CA LEU A 69 10.577 14.152 2.312 1.00 0.00 C ATOM 1030 C LEU A 69 11.230 13.010 3.089 1.00 0.00 C ATOM 1031 O LEU A 69 12.344 12.592 2.772 1.00 0.00 O ATOM 1032 CB LEU A 69 9.966 13.605 0.993 1.00 0.00 C ATOM 1033 CG LEU A 69 8.472 13.936 0.875 1.00 0.00 C ATOM 1034 CD1 LEU A 69 8.001 13.557 -0.529 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.656 13.140 1.901 1.00 0.00 C ATOM 0 H LEU A 69 11.579 15.486 1.033 1.00 0.00 H new ATOM 0 HA LEU A 69 9.787 14.590 2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.500 14.028 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.103 12.525 0.950 1.00 0.00 H new ATOM 0 HG LEU A 69 8.328 15.000 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.940 13.786 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.567 14.124 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.160 12.491 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.600 13.390 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.794 12.073 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.993 13.390 2.907 1.00 0.00 H new ATOM 1047 N ASP A 70 10.519 12.486 4.081 1.00 0.00 N ATOM 1048 CA ASP A 70 11.044 11.371 4.850 1.00 0.00 C ATOM 1049 C ASP A 70 11.332 10.218 3.897 1.00 0.00 C ATOM 1050 O ASP A 70 12.241 9.419 4.118 1.00 0.00 O ATOM 1051 CB ASP A 70 10.032 10.934 5.912 1.00 0.00 C ATOM 1052 CG ASP A 70 8.681 10.651 5.262 1.00 0.00 C ATOM 1053 OD1 ASP A 70 8.425 11.207 4.207 1.00 0.00 O ATOM 1054 OD2 ASP A 70 7.922 9.885 5.831 1.00 0.00 O ATOM 0 H ASP A 70 9.595 12.810 4.366 1.00 0.00 H new ATOM 0 HA ASP A 70 11.960 11.673 5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.392 10.042 6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.925 11.713 6.667 1.00 0.00 H new ATOM 1059 N THR A 71 10.543 10.155 2.825 1.00 0.00 N ATOM 1060 CA THR A 71 10.702 9.115 1.817 1.00 0.00 C ATOM 1061 C THR A 71 12.096 9.202 1.180 1.00 0.00 C ATOM 1062 O THR A 71 12.428 10.227 0.584 1.00 0.00 O ATOM 1063 CB THR A 71 9.644 9.299 0.724 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.372 9.496 1.324 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.601 8.062 -0.175 1.00 0.00 C ATOM 0 H THR A 71 9.788 10.814 2.635 1.00 0.00 H new ATOM 0 HA THR A 71 10.583 8.142 2.294 1.00 0.00 H new ATOM 0 HB THR A 71 9.901 10.169 0.120 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.696 9.615 0.625 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.846 8.201 -0.949 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.576 7.916 -0.640 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.350 7.186 0.423 1.00 0.00 H new ATOM 1073 N PRO A 72 12.923 8.180 1.273 1.00 0.00 N ATOM 1074 CA PRO A 72 14.282 8.225 0.662 1.00 0.00 C ATOM 1075 C PRO A 72 14.208 8.116 -0.864 1.00 0.00 C ATOM 1076 O PRO A 72 13.197 8.477 -1.467 1.00 0.00 O ATOM 1077 CB PRO A 72 15.002 7.026 1.302 1.00 0.00 C ATOM 1078 CG PRO A 72 13.916 6.051 1.612 1.00 0.00 C ATOM 1079 CD PRO A 72 12.676 6.886 1.949 1.00 0.00 C ATOM 0 HA PRO A 72 14.806 9.163 0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.737 6.596 0.621 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.538 7.322 2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.725 5.397 0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.194 5.412 2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.764 6.412 1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.561 7.013 3.025 1.00 0.00 H new ATOM 1087 N MET A 73 15.277 7.620 -1.486 1.00 0.00 N ATOM 1088 CA MET A 73 15.324 7.468 -2.943 1.00 0.00 C ATOM 1089 C MET A 73 15.352 5.993 -3.313 1.00 0.00 C ATOM 1090 O MET A 73 15.418 5.639 -4.487 1.00 0.00 O ATOM 1091 CB MET A 73 16.577 8.163 -3.501 1.00 0.00 C ATOM 1092 CG MET A 73 16.385 8.479 -4.989 1.00 0.00 C ATOM 1093 SD MET A 73 17.833 9.369 -5.613 1.00 0.00 S ATOM 1094 CE MET A 73 17.646 10.871 -4.619 1.00 0.00 C ATOM 0 H MET A 73 16.123 7.316 -1.005 1.00 0.00 H new ATOM 0 HA MET A 73 14.434 7.928 -3.374 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.769 9.082 -2.948 1.00 0.00 H new ATOM 0 HB3 MET A 73 17.448 7.522 -3.367 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.242 7.556 -5.552 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.487 9.081 -5.130 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.035 11.725 -5.173 1.00 0.00 H new ATOM 0 HE2 MET A 73 16.591 11.032 -4.398 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.199 10.761 -3.686 1.00 0.00 H new ATOM 1104 N SER A 74 15.303 5.135 -2.296 1.00 0.00 N ATOM 1105 CA SER A 74 15.320 3.688 -2.506 1.00 0.00 C ATOM 1106 C SER A 74 13.938 3.103 -2.236 1.00 0.00 C ATOM 1107 O SER A 74 13.567 2.076 -2.805 1.00 0.00 O ATOM 1108 CB SER A 74 16.342 3.039 -1.573 1.00 0.00 C ATOM 1109 OG SER A 74 17.621 3.615 -1.804 1.00 0.00 O ATOM 0 H SER A 74 15.251 5.417 -1.317 1.00 0.00 H new ATOM 0 HA SER A 74 15.597 3.487 -3.541 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.047 3.185 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.378 1.963 -1.746 1.00 0.00 H new ATOM 0 HG SER A 74 18.279 3.202 -1.206 1.00 0.00 H new ATOM 1115 N ALA A 75 13.178 3.763 -1.367 1.00 0.00 N ATOM 1116 CA ALA A 75 11.839 3.298 -1.031 1.00 0.00 C ATOM 1117 C ALA A 75 10.958 3.261 -2.274 1.00 0.00 C ATOM 1118 O ALA A 75 10.114 2.377 -2.420 1.00 0.00 O ATOM 1119 CB ALA A 75 11.211 4.217 0.011 1.00 0.00 C ATOM 0 H ALA A 75 13.465 4.616 -0.886 1.00 0.00 H new ATOM 0 HA ALA A 75 11.918 2.290 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.210 3.860 0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.825 4.219 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.148 5.230 -0.388 1.00 0.00 H new ATOM 1125 N LEU A 76 11.157 4.215 -3.175 1.00 0.00 N ATOM 1126 CA LEU A 76 10.363 4.238 -4.392 1.00 0.00 C ATOM 1127 C LEU A 76 10.663 2.984 -5.203 1.00 0.00 C ATOM 1128 O LEU A 76 9.756 2.272 -5.628 1.00 0.00 O ATOM 1129 CB LEU A 76 10.668 5.466 -5.256 1.00 0.00 C ATOM 1130 CG LEU A 76 10.634 6.775 -4.443 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.438 6.781 -3.488 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.941 6.985 -3.643 1.00 0.00 C ATOM 0 H LEU A 76 11.844 4.964 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 76 9.313 4.280 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.650 5.351 -5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.943 5.526 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 76 10.535 7.596 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.429 7.712 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.515 6.696 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.517 5.939 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.879 7.918 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.081 6.155 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.785 7.030 -4.331 1.00 0.00 H new ATOM 1144 N LYS A 77 11.954 2.718 -5.398 1.00 0.00 N ATOM 1145 CA LYS A 77 12.373 1.541 -6.144 1.00 0.00 C ATOM 1146 C LYS A 77 11.745 0.299 -5.526 1.00 0.00 C ATOM 1147 O LYS A 77 11.379 -0.645 -6.226 1.00 0.00 O ATOM 1148 CB LYS A 77 13.900 1.406 -6.120 1.00 0.00 C ATOM 1149 CG LYS A 77 14.533 2.458 -7.039 1.00 0.00 C ATOM 1150 CD LYS A 77 14.235 3.867 -6.504 1.00 0.00 C ATOM 1151 CE LYS A 77 15.274 4.862 -7.032 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.393 4.714 -8.510 1.00 0.00 N ATOM 0 H LYS A 77 12.718 3.298 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 77 12.046 1.646 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.269 1.531 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.190 0.406 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.610 2.302 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.141 2.353 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.236 4.177 -6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.247 3.861 -5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.979 5.881 -6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.239 4.683 -6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.862 5.553 -8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.955 3.867 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.445 4.618 -8.927 1.00 0.00 H new ATOM 1166 N ASP A 78 11.626 0.314 -4.202 1.00 0.00 N ATOM 1167 CA ASP A 78 11.040 -0.805 -3.483 1.00 0.00 C ATOM 1168 C ASP A 78 9.548 -0.897 -3.791 1.00 0.00 C ATOM 1169 O ASP A 78 9.070 -1.914 -4.292 1.00 0.00 O ATOM 1170 CB ASP A 78 11.264 -0.621 -1.973 1.00 0.00 C ATOM 1171 CG ASP A 78 12.688 -1.022 -1.599 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.586 -0.229 -1.829 1.00 0.00 O ATOM 1173 OD2 ASP A 78 12.858 -2.117 -1.086 1.00 0.00 O ATOM 0 H ASP A 78 11.927 1.088 -3.609 1.00 0.00 H new ATOM 0 HA ASP A 78 11.519 -1.731 -3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.086 0.418 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.550 -1.227 -1.415 1.00 0.00 H new ATOM 1178 N ALA A 79 8.815 0.167 -3.479 1.00 0.00 N ATOM 1179 CA ALA A 79 7.375 0.194 -3.714 1.00 0.00 C ATOM 1180 C ALA A 79 7.036 0.044 -5.199 1.00 0.00 C ATOM 1181 O ALA A 79 6.354 -0.904 -5.584 1.00 0.00 O ATOM 1182 CB ALA A 79 6.793 1.508 -3.190 1.00 0.00 C ATOM 0 H ALA A 79 9.192 1.019 -3.064 1.00 0.00 H new ATOM 0 HA ALA A 79 6.937 -0.651 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.718 1.526 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.986 1.591 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.260 2.345 -3.709 1.00 0.00 H new ATOM 1188 N VAL A 80 7.493 0.999 -6.019 1.00 0.00 N ATOM 1189 CA VAL A 80 7.211 0.980 -7.462 1.00 0.00 C ATOM 1190 C VAL A 80 7.181 -0.446 -8.009 1.00 0.00 C ATOM 1191 O VAL A 80 6.512 -0.731 -9.001 1.00 0.00 O ATOM 1192 CB VAL A 80 8.249 1.814 -8.217 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.526 1.002 -8.432 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.684 2.232 -9.582 1.00 0.00 C ATOM 0 H VAL A 80 8.057 1.791 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 80 6.224 1.416 -7.613 1.00 0.00 H new ATOM 0 HB VAL A 80 8.481 2.700 -7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.256 1.607 -8.970 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.938 0.710 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.296 0.109 -9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.426 2.826 -10.116 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.443 1.342 -10.164 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.781 2.825 -9.436 1.00 0.00 H new ATOM 1204 N ARG A 81 7.913 -1.332 -7.350 1.00 0.00 N ATOM 1205 CA ARG A 81 7.970 -2.725 -7.769 1.00 0.00 C ATOM 1206 C ARG A 81 6.712 -3.450 -7.320 1.00 0.00 C ATOM 1207 O ARG A 81 5.997 -4.054 -8.117 1.00 0.00 O ATOM 1208 CB ARG A 81 9.188 -3.408 -7.144 1.00 0.00 C ATOM 1209 CG ARG A 81 9.407 -4.777 -7.799 1.00 0.00 C ATOM 1210 CD ARG A 81 10.348 -5.615 -6.928 1.00 0.00 C ATOM 1211 NE ARG A 81 11.665 -4.994 -6.870 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.624 -5.485 -6.093 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.397 -6.547 -5.369 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.793 -4.906 -6.053 1.00 0.00 N ATOM 0 H ARG A 81 8.474 -1.113 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 81 8.048 -2.762 -8.856 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.073 -2.786 -7.276 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.039 -3.527 -6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.453 -5.290 -7.921 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.831 -4.652 -8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.938 -5.709 -5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.431 -6.623 -7.334 1.00 0.00 H new ATOM 0 HE ARG A 81 11.854 -4.167 -7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.483 -7.000 -5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.133 -6.924 -4.772 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.971 -4.076 -6.619 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.529 -5.284 -5.456 1.00 0.00 H new ATOM 1228 N ILE A 82 6.476 -3.399 -6.022 1.00 0.00 N ATOM 1229 CA ILE A 82 5.329 -4.060 -5.429 1.00 0.00 C ATOM 1230 C ILE A 82 4.039 -3.786 -6.217 1.00 0.00 C ATOM 1231 O ILE A 82 3.271 -4.716 -6.469 1.00 0.00 O ATOM 1232 CB ILE A 82 5.195 -3.627 -3.959 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.244 -4.370 -3.119 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.799 -3.963 -3.432 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.322 -3.747 -1.726 1.00 0.00 C ATOM 0 H ILE A 82 7.068 -2.903 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 82 5.489 -5.137 -5.469 1.00 0.00 H new ATOM 0 HB ILE A 82 5.351 -2.550 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.982 -5.425 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.218 -4.318 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.718 -3.651 -2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.050 -3.440 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.632 -5.038 -3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.067 -4.276 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.605 -2.698 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.350 -3.822 -1.239 1.00 0.00 H new ATOM 1247 N LEU A 83 3.781 -2.533 -6.614 1.00 0.00 N ATOM 1248 CA LEU A 83 2.550 -2.261 -7.368 1.00 0.00 C ATOM 1249 C LEU A 83 2.698 -2.774 -8.796 1.00 0.00 C ATOM 1250 O LEU A 83 1.738 -3.274 -9.382 1.00 0.00 O ATOM 1251 CB LEU A 83 2.143 -0.753 -7.407 1.00 0.00 C ATOM 1252 CG LEU A 83 2.779 0.081 -6.275 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.839 -0.683 -4.943 1.00 0.00 C ATOM 1254 CD2 LEU A 83 4.161 0.534 -6.703 1.00 0.00 C ATOM 0 H LEU A 83 4.377 -1.725 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 83 1.754 -2.784 -6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.435 -0.330 -8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.058 -0.675 -7.341 1.00 0.00 H new ATOM 0 HG LEU A 83 2.145 0.950 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.295 -0.051 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.830 -0.954 -4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.435 -1.587 -5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.614 1.124 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.783 -0.338 -6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.082 1.142 -7.604 1.00 0.00 H new ATOM 1266 N TRP A 84 3.899 -2.651 -9.357 1.00 0.00 N ATOM 1267 CA TRP A 84 4.128 -3.115 -10.727 1.00 0.00 C ATOM 1268 C TRP A 84 3.550 -4.521 -10.910 1.00 0.00 C ATOM 1269 O TRP A 84 3.319 -4.965 -12.035 1.00 0.00 O ATOM 1270 CB TRP A 84 5.649 -3.123 -11.026 1.00 0.00 C ATOM 1271 CG TRP A 84 6.012 -2.117 -12.077 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.691 -2.401 -13.211 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.745 -0.686 -12.105 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.863 -1.235 -13.933 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.296 -0.151 -13.293 1.00 0.00 C ATOM 1276 CE3 TRP A 84 5.087 0.191 -11.226 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 6.200 1.207 -13.595 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.987 1.557 -11.527 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.543 2.063 -12.711 1.00 0.00 C ATOM 0 H TRP A 84 4.714 -2.244 -8.898 1.00 0.00 H new ATOM 0 HA TRP A 84 3.629 -2.439 -11.422 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.201 -2.909 -10.111 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.950 -4.118 -11.355 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.042 -3.379 -13.505 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.349 -1.182 -14.828 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.655 -0.190 -10.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.631 1.593 -14.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.480 2.222 -10.844 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.462 3.116 -12.938 1.00 0.00 H new ATOM 1290 N GLY A 85 3.335 -5.218 -9.799 1.00 0.00 N ATOM 1291 CA GLY A 85 2.802 -6.575 -9.849 1.00 0.00 C ATOM 1292 C GLY A 85 3.931 -7.578 -10.056 1.00 0.00 C ATOM 1293 O GLY A 85 3.696 -8.733 -10.409 1.00 0.00 O ATOM 0 H GLY A 85 3.520 -4.869 -8.859 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.272 -6.799 -8.923 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.078 -6.659 -10.659 1.00 0.00 H new ATOM 1297 N GLU A 86 5.164 -7.118 -9.833 1.00 0.00 N ATOM 1298 CA GLU A 86 6.349 -7.964 -9.988 1.00 0.00 C ATOM 1299 C GLU A 86 6.936 -8.293 -8.619 1.00 0.00 C ATOM 1300 O GLU A 86 7.946 -8.990 -8.516 1.00 0.00 O ATOM 1301 CB GLU A 86 7.396 -7.229 -10.840 1.00 0.00 C ATOM 1302 CG GLU A 86 8.424 -8.225 -11.390 1.00 0.00 C ATOM 1303 CD GLU A 86 9.368 -7.517 -12.356 1.00 0.00 C ATOM 1304 OE1 GLU A 86 8.918 -7.143 -13.427 1.00 0.00 O ATOM 1305 OE2 GLU A 86 10.528 -7.360 -12.011 1.00 0.00 O ATOM 0 H GLU A 86 5.368 -6.161 -9.544 1.00 0.00 H new ATOM 0 HA GLU A 86 6.065 -8.892 -10.484 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.906 -6.709 -11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.898 -6.471 -10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.992 -8.665 -10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.914 -9.043 -11.900 1.00 0.00 H new ATOM 1312 N ALA A 87 6.288 -7.780 -7.572 1.00 0.00 N ATOM 1313 CA ALA A 87 6.732 -8.005 -6.194 1.00 0.00 C ATOM 1314 C ALA A 87 7.375 -9.386 -6.026 1.00 0.00 C ATOM 1315 O ALA A 87 8.280 -9.564 -5.211 1.00 0.00 O ATOM 1316 CB ALA A 87 5.524 -7.867 -5.246 1.00 0.00 C ATOM 0 H ALA A 87 5.450 -7.203 -7.652 1.00 0.00 H new ATOM 0 HA ALA A 87 7.488 -7.259 -5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.847 -8.033 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.103 -6.866 -5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.767 -8.604 -5.512 1.00 0.00 H new ATOM 1322 N GLU A 88 6.897 -10.356 -6.799 1.00 0.00 N ATOM 1323 CA GLU A 88 7.429 -11.712 -6.722 1.00 0.00 C ATOM 1324 C GLU A 88 8.946 -11.707 -6.891 1.00 0.00 C ATOM 1325 O GLU A 88 9.469 -11.186 -7.877 1.00 0.00 O ATOM 1326 CB GLU A 88 6.795 -12.584 -7.808 1.00 0.00 C ATOM 1327 CG GLU A 88 5.273 -12.568 -7.654 1.00 0.00 C ATOM 1328 CD GLU A 88 4.630 -13.398 -8.759 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.567 -14.607 -8.604 1.00 0.00 O ATOM 1330 OE2 GLU A 88 4.208 -12.814 -9.743 1.00 0.00 O ATOM 0 H GLU A 88 6.149 -10.230 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 88 7.188 -12.120 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.075 -12.215 -8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.168 -13.605 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.993 -12.966 -6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.905 -11.543 -7.697 1.00 0.00 H new ATOM 1337 N VAL A 89 9.645 -12.293 -5.923 1.00 0.00 N ATOM 1338 CA VAL A 89 11.103 -12.356 -5.971 1.00 0.00 C ATOM 1339 C VAL A 89 11.559 -13.548 -6.807 1.00 0.00 C ATOM 1340 O VAL A 89 11.259 -14.696 -6.481 1.00 0.00 O ATOM 1341 CB VAL A 89 11.667 -12.482 -4.556 1.00 0.00 C ATOM 1342 CG1 VAL A 89 13.193 -12.555 -4.617 1.00 0.00 C ATOM 1343 CG2 VAL A 89 11.248 -11.263 -3.730 1.00 0.00 C ATOM 0 H VAL A 89 9.229 -12.729 -5.100 1.00 0.00 H new ATOM 0 HA VAL A 89 11.473 -11.439 -6.430 1.00 0.00 H new ATOM 0 HB VAL A 89 11.279 -13.388 -4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.594 -12.645 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.493 -13.423 -5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 89 13.582 -11.650 -5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.650 -11.352 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.635 -10.357 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.160 -11.211 -3.684 1.00 0.00 H new ATOM 1353 N ASP A 90 12.283 -13.267 -7.886 1.00 0.00 N ATOM 1354 CA ASP A 90 12.773 -14.326 -8.763 1.00 0.00 C ATOM 1355 C ASP A 90 14.050 -14.943 -8.200 1.00 0.00 C ATOM 1356 O ASP A 90 14.013 -16.001 -7.570 1.00 0.00 O ATOM 1357 CB ASP A 90 13.051 -13.761 -10.157 1.00 0.00 C ATOM 1358 CG ASP A 90 13.655 -14.842 -11.046 1.00 0.00 C ATOM 1359 OD1 ASP A 90 13.254 -15.987 -10.910 1.00 0.00 O ATOM 1360 OD2 ASP A 90 14.509 -14.510 -11.852 1.00 0.00 O ATOM 0 H ASP A 90 12.542 -12.323 -8.173 1.00 0.00 H new ATOM 0 HA ASP A 90 12.008 -15.100 -8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 90 12.126 -13.390 -10.599 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.733 -12.914 -10.086 1.00 0.00 H new ATOM 1365 N SER A 91 15.177 -14.280 -8.433 1.00 0.00 N ATOM 1366 CA SER A 91 16.458 -14.776 -7.945 1.00 0.00 C ATOM 1367 C SER A 91 16.603 -14.516 -6.450 1.00 0.00 C ATOM 1368 O SER A 91 15.700 -13.972 -5.813 1.00 0.00 O ATOM 1369 CB SER A 91 17.603 -14.095 -8.696 1.00 0.00 C ATOM 1370 OG SER A 91 17.320 -14.102 -10.090 1.00 0.00 O ATOM 0 H SER A 91 15.230 -13.404 -8.953 1.00 0.00 H new ATOM 0 HA SER A 91 16.497 -15.851 -8.119 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.726 -13.071 -8.343 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.541 -14.615 -8.501 1.00 0.00 H new ATOM 0 HG SER A 91 18.051 -13.665 -10.574 1.00 0.00 H new ATOM 1376 N LEU A 92 17.746 -14.907 -5.895 1.00 0.00 N ATOM 1377 CA LEU A 92 18.000 -14.712 -4.472 1.00 0.00 C ATOM 1378 C LEU A 92 18.357 -13.245 -4.203 1.00 0.00 C ATOM 1379 O LEU A 92 18.911 -12.576 -5.076 1.00 0.00 O ATOM 1380 CB LEU A 92 19.160 -15.613 -4.025 1.00 0.00 C ATOM 1381 CG LEU A 92 18.715 -17.087 -3.966 1.00 0.00 C ATOM 1382 CD1 LEU A 92 17.665 -17.298 -2.856 1.00 0.00 C ATOM 1383 CD2 LEU A 92 18.129 -17.511 -5.321 1.00 0.00 C ATOM 0 H LEU A 92 18.506 -15.358 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 92 17.102 -14.972 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 92 19.996 -15.508 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 92 19.516 -15.296 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 92 19.587 -17.700 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.365 -18.346 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 92 18.093 -17.022 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.793 -16.676 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.817 -18.554 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 92 17.268 -16.885 -5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 92 18.886 -17.395 -6.097 1.00 0.00 H new ATOM 1395 N PRO A 93 18.061 -12.730 -3.030 1.00 0.00 N ATOM 1396 CA PRO A 93 18.372 -11.314 -2.680 1.00 0.00 C ATOM 1397 C PRO A 93 19.698 -10.845 -3.278 1.00 0.00 C ATOM 1398 O PRO A 93 19.803 -9.724 -3.776 1.00 0.00 O ATOM 1399 CB PRO A 93 18.430 -11.345 -1.153 1.00 0.00 C ATOM 1400 CG PRO A 93 17.433 -12.393 -0.757 1.00 0.00 C ATOM 1401 CD PRO A 93 17.400 -13.422 -1.903 1.00 0.00 C ATOM 0 HA PRO A 93 17.636 -10.614 -3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 93 19.430 -11.596 -0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 93 18.175 -10.375 -0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 93 17.721 -12.867 0.181 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.448 -11.953 -0.603 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.928 -14.337 -1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.378 -13.706 -2.154 1.00 0.00 H new ATOM 1409 N GLN A 94 20.707 -11.709 -3.223 1.00 0.00 N ATOM 1410 CA GLN A 94 22.019 -11.369 -3.762 1.00 0.00 C ATOM 1411 C GLN A 94 21.932 -11.175 -5.280 1.00 0.00 C ATOM 1412 O GLN A 94 21.090 -11.788 -5.936 1.00 0.00 O ATOM 1413 CB GLN A 94 23.014 -12.492 -3.441 1.00 0.00 C ATOM 1414 CG GLN A 94 23.436 -12.403 -1.972 1.00 0.00 C ATOM 1415 CD GLN A 94 24.257 -13.631 -1.591 1.00 0.00 C ATOM 1416 OE1 GLN A 94 23.769 -14.757 -1.680 1.00 0.00 O ATOM 1417 NE2 GLN A 94 25.483 -13.480 -1.170 1.00 0.00 N ATOM 0 H GLN A 94 20.643 -12.641 -2.815 1.00 0.00 H new ATOM 0 HA GLN A 94 22.360 -10.440 -3.306 1.00 0.00 H new ATOM 0 HB2 GLN A 94 22.559 -13.462 -3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 94 23.889 -12.411 -4.086 1.00 0.00 H new ATOM 0 HG2 GLN A 94 24.021 -11.498 -1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 94 22.554 -12.333 -1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 94 25.886 -12.546 -1.097 1.00 0.00 H new ATOM 0 HE22 GLN A 94 26.039 -14.296 -0.914 1.00 0.00 H new ATOM 1426 N PRO A 95 22.778 -10.347 -5.853 1.00 0.00 N ATOM 1427 CA PRO A 95 22.772 -10.096 -7.326 1.00 0.00 C ATOM 1428 C PRO A 95 23.317 -11.290 -8.109 1.00 0.00 C ATOM 1429 O PRO A 95 22.673 -11.786 -9.033 1.00 0.00 O ATOM 1430 CB PRO A 95 23.676 -8.864 -7.481 1.00 0.00 C ATOM 1431 CG PRO A 95 24.621 -8.942 -6.328 1.00 0.00 C ATOM 1432 CD PRO A 95 23.826 -9.559 -5.174 1.00 0.00 C ATOM 0 HA PRO A 95 21.768 -9.940 -7.720 1.00 0.00 H new ATOM 0 HB2 PRO A 95 24.209 -8.880 -8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 95 23.096 -7.941 -7.456 1.00 0.00 H new ATOM 0 HG2 PRO A 95 25.489 -9.553 -6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 95 24.993 -7.953 -6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 95 24.456 -10.188 -4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 95 23.396 -8.793 -4.529 1.00 0.00 H new ATOM 1440 N VAL A 96 24.506 -11.746 -7.731 1.00 0.00 N ATOM 1441 CA VAL A 96 25.129 -12.880 -8.403 1.00 0.00 C ATOM 1442 C VAL A 96 24.435 -14.181 -8.012 1.00 0.00 C ATOM 1443 O VAL A 96 24.283 -14.416 -6.825 1.00 0.00 O ATOM 1444 CB VAL A 96 26.610 -12.959 -8.030 1.00 0.00 C ATOM 1445 CG1 VAL A 96 27.252 -14.154 -8.737 1.00 0.00 C ATOM 1446 CG2 VAL A 96 27.314 -11.672 -8.467 1.00 0.00 C ATOM 1447 OXT VAL A 96 24.065 -14.923 -8.908 1.00 0.00 O ATOM 0 H VAL A 96 25.055 -11.351 -6.968 1.00 0.00 H new ATOM 0 HA VAL A 96 25.032 -12.738 -9.479 1.00 0.00 H new ATOM 0 HB VAL A 96 26.707 -13.080 -6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 96 28.308 -14.210 -8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.751 -15.071 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 96 27.156 -14.033 -9.816 1.00 0.00 H new ATOM 0 HG21 VAL A 96 28.370 -11.727 -8.202 1.00 0.00 H new ATOM 0 HG22 VAL A 96 27.217 -11.552 -9.546 1.00 0.00 H new ATOM 0 HG23 VAL A 96 26.858 -10.819 -7.965 1.00 0.00 H new TER 1457 VAL A 96