USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=18 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 180:sc= 0.212 USER MOD Set 1.2: A 46 SER OG : rot -40:sc=-0.000352 USER MOD Set 2.1: A 25 THR OG1 : rot 126:sc= 0.268 USER MOD Set 2.2: A 71 THR OG1 : rot 173:sc= 0.223 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.000105) USER MOD Single : A 3 THR OG1 : rot 63:sc= 1.08 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) 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 26 THR OG1 : rot 180:sc= -0.627 USER MOD Single : A 29 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.26) USER MOD Single : A 35 HIS : no HE2:sc= -1.03 K(o=-1,f=-2.1) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.76! C(o=-1.7!,f=-0.76!) USER MOD Single : A 48 GLN :FLIP amide:sc= -2.59! C(o=-3.5!,f=-2.6!) 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 -170:sc= -0.238 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 157:sc= -0.0353 (180deg=-0.723) USER MOD Single : A 91 SER OG : rot 180:sc= -0.118 USER MOD Single : A 94 GLN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.700 -0.883 -3.839 1.00 0.00 N ATOM 2 CA MET A 1 -26.635 -2.040 -3.933 1.00 0.00 C ATOM 3 C MET A 1 -26.178 -2.971 -5.051 1.00 0.00 C ATOM 4 O MET A 1 -26.076 -4.183 -4.858 1.00 0.00 O ATOM 5 CB MET A 1 -28.048 -1.529 -4.222 1.00 0.00 C ATOM 6 CG MET A 1 -29.025 -2.706 -4.226 1.00 0.00 C ATOM 7 SD MET A 1 -30.724 -2.082 -4.175 1.00 0.00 S ATOM 8 CE MET A 1 -31.553 -3.650 -4.531 1.00 0.00 C ATOM 0 H1 MET A 1 -26.000 -0.256 -3.066 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.738 -1.229 -3.650 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.709 -0.356 -4.736 1.00 0.00 H new ATOM 0 HA MET A 1 -26.639 -2.588 -2.991 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.344 -0.800 -3.468 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.072 -1.019 -5.185 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.876 -3.313 -5.119 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.837 -3.351 -3.368 1.00 0.00 H new ATOM 0 HE1 MET A 1 -32.632 -3.496 -4.548 1.00 0.00 H new ATOM 0 HE2 MET A 1 -31.225 -4.023 -5.501 1.00 0.00 H new ATOM 0 HE3 MET A 1 -31.303 -4.377 -3.759 1.00 0.00 H new ATOM 18 N VAL A 2 -25.903 -2.398 -6.218 1.00 0.00 N ATOM 19 CA VAL A 2 -25.454 -3.189 -7.359 1.00 0.00 C ATOM 20 C VAL A 2 -24.196 -3.976 -6.993 1.00 0.00 C ATOM 21 O VAL A 2 -24.267 -4.981 -6.287 1.00 0.00 O ATOM 22 CB VAL A 2 -25.170 -2.266 -8.555 1.00 0.00 C ATOM 23 CG1 VAL A 2 -26.483 -1.927 -9.272 1.00 0.00 C ATOM 24 CG2 VAL A 2 -24.524 -0.971 -8.054 1.00 0.00 C ATOM 0 H VAL A 2 -25.982 -1.397 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 2 -26.240 -3.893 -7.632 1.00 0.00 H new ATOM 0 HB VAL A 2 -24.498 -2.772 -9.248 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -26.277 -1.273 -10.119 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -26.951 -2.845 -9.628 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -27.156 -1.422 -8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -24.321 -0.314 -8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -25.201 -0.471 -7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -23.589 -1.204 -7.544 1.00 0.00 H new ATOM 34 N THR A 3 -23.046 -3.511 -7.479 1.00 0.00 N ATOM 35 CA THR A 3 -21.772 -4.178 -7.200 1.00 0.00 C ATOM 36 C THR A 3 -20.686 -3.153 -6.887 1.00 0.00 C ATOM 37 O THR A 3 -19.701 -3.037 -7.617 1.00 0.00 O ATOM 38 CB THR A 3 -21.350 -5.013 -8.410 1.00 0.00 C ATOM 39 OG1 THR A 3 -21.015 -4.148 -9.486 1.00 0.00 O ATOM 40 CG2 THR A 3 -22.503 -5.926 -8.827 1.00 0.00 C ATOM 0 H THR A 3 -22.969 -2.680 -8.065 1.00 0.00 H new ATOM 0 HA THR A 3 -21.904 -4.826 -6.334 1.00 0.00 H new ATOM 0 HB THR A 3 -20.484 -5.621 -8.149 1.00 0.00 H new ATOM 0 HG1 THR A 3 -20.246 -3.596 -9.234 1.00 0.00 H new ATOM 0 HG21 THR A 3 -22.202 -6.521 -9.689 1.00 0.00 H new ATOM 0 HG22 THR A 3 -22.760 -6.589 -8.000 1.00 0.00 H new ATOM 0 HG23 THR A 3 -23.370 -5.320 -9.089 1.00 0.00 H new ATOM 48 N PRO A 4 -20.846 -2.415 -5.819 1.00 0.00 N ATOM 49 CA PRO A 4 -19.855 -1.385 -5.398 1.00 0.00 C ATOM 50 C PRO A 4 -18.641 -2.016 -4.716 1.00 0.00 C ATOM 51 O PRO A 4 -17.789 -1.316 -4.170 1.00 0.00 O ATOM 52 CB PRO A 4 -20.653 -0.509 -4.426 1.00 0.00 C ATOM 53 CG PRO A 4 -21.658 -1.437 -3.816 1.00 0.00 C ATOM 54 CD PRO A 4 -21.990 -2.484 -4.891 1.00 0.00 C ATOM 0 HA PRO A 4 -19.443 -0.825 -6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -20.006 -0.070 -3.666 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -21.140 0.316 -4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.255 -1.913 -2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.553 -0.895 -3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.095 -3.480 -4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.928 -2.254 -5.396 1.00 0.00 H new ATOM 62 N VAL A 5 -18.574 -3.344 -4.756 1.00 0.00 N ATOM 63 CA VAL A 5 -17.464 -4.063 -4.142 1.00 0.00 C ATOM 64 C VAL A 5 -16.167 -3.787 -4.897 1.00 0.00 C ATOM 65 O VAL A 5 -15.290 -3.078 -4.405 1.00 0.00 O ATOM 66 CB VAL A 5 -17.751 -5.567 -4.142 1.00 0.00 C ATOM 67 CG1 VAL A 5 -16.709 -6.288 -3.286 1.00 0.00 C ATOM 68 CG2 VAL A 5 -19.147 -5.820 -3.564 1.00 0.00 C ATOM 0 H VAL A 5 -19.270 -3.940 -5.204 1.00 0.00 H new ATOM 0 HA VAL A 5 -17.353 -3.717 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 5 -17.705 -5.944 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -16.915 -7.358 -3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.715 -6.109 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -16.754 -5.911 -2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -19.352 -6.891 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -19.192 -5.442 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -19.892 -5.308 -4.174 1.00 0.00 H new ATOM 78 N ASN A 6 -16.056 -4.348 -6.097 1.00 0.00 N ATOM 79 CA ASN A 6 -14.865 -4.150 -6.916 1.00 0.00 C ATOM 80 C ASN A 6 -13.603 -4.479 -6.125 1.00 0.00 C ATOM 81 O ASN A 6 -13.678 -4.964 -4.997 1.00 0.00 O ATOM 82 CB ASN A 6 -14.801 -2.701 -7.399 1.00 0.00 C ATOM 83 CG ASN A 6 -16.053 -2.363 -8.200 1.00 0.00 C ATOM 84 OD1 ASN A 6 -16.211 -2.825 -9.330 1.00 0.00 O ATOM 85 ND2 ASN A 6 -16.960 -1.582 -7.680 1.00 0.00 N ATOM 0 H ASN A 6 -16.771 -4.939 -6.522 1.00 0.00 H new ATOM 0 HA ASN A 6 -14.924 -4.820 -7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -14.712 -2.028 -6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -13.914 -2.553 -8.015 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -17.801 -1.354 -8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -16.828 -1.200 -6.744 1.00 0.00 H new ATOM 92 N MET A 7 -12.448 -4.208 -6.734 1.00 0.00 N ATOM 93 CA MET A 7 -11.161 -4.472 -6.093 1.00 0.00 C ATOM 94 C MET A 7 -11.034 -5.945 -5.709 1.00 0.00 C ATOM 95 O MET A 7 -11.997 -6.569 -5.267 1.00 0.00 O ATOM 96 CB MET A 7 -11.000 -3.598 -4.843 1.00 0.00 C ATOM 97 CG MET A 7 -10.709 -2.152 -5.256 1.00 0.00 C ATOM 98 SD MET A 7 -12.084 -1.516 -6.246 1.00 0.00 S ATOM 99 CE MET A 7 -11.842 0.239 -5.874 1.00 0.00 C ATOM 0 H MET A 7 -12.378 -3.806 -7.669 1.00 0.00 H new ATOM 0 HA MET A 7 -10.374 -4.229 -6.807 1.00 0.00 H new ATOM 0 HB2 MET A 7 -11.907 -3.638 -4.240 1.00 0.00 H new ATOM 0 HB3 MET A 7 -10.188 -3.979 -4.223 1.00 0.00 H new ATOM 0 HG2 MET A 7 -10.567 -1.532 -4.371 1.00 0.00 H new ATOM 0 HG3 MET A 7 -9.783 -2.106 -5.829 1.00 0.00 H new ATOM 0 HE1 MET A 7 -12.598 0.829 -6.393 1.00 0.00 H new ATOM 0 HE2 MET A 7 -11.932 0.399 -4.800 1.00 0.00 H new ATOM 0 HE3 MET A 7 -10.851 0.548 -6.205 1.00 0.00 H new ATOM 109 N SER A 8 -9.835 -6.493 -5.876 1.00 0.00 N ATOM 110 CA SER A 8 -9.598 -7.889 -5.538 1.00 0.00 C ATOM 111 C SER A 8 -9.606 -8.071 -4.024 1.00 0.00 C ATOM 112 O SER A 8 -10.255 -7.315 -3.303 1.00 0.00 O ATOM 113 CB SER A 8 -8.251 -8.337 -6.101 1.00 0.00 C ATOM 114 OG SER A 8 -8.119 -7.862 -7.435 1.00 0.00 O ATOM 0 H SER A 8 -9.021 -5.997 -6.239 1.00 0.00 H new ATOM 0 HA SER A 8 -10.392 -8.496 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.439 -7.952 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.179 -9.424 -6.081 1.00 0.00 H new ATOM 0 HG SER A 8 -7.255 -8.146 -7.799 1.00 0.00 H new ATOM 120 N ARG A 9 -8.877 -9.078 -3.548 1.00 0.00 N ATOM 121 CA ARG A 9 -8.801 -9.348 -2.111 1.00 0.00 C ATOM 122 C ARG A 9 -7.408 -9.837 -1.736 1.00 0.00 C ATOM 123 O ARG A 9 -6.940 -9.600 -0.625 1.00 0.00 O ATOM 124 CB ARG A 9 -9.844 -10.397 -1.714 1.00 0.00 C ATOM 125 CG ARG A 9 -9.784 -11.574 -2.689 1.00 0.00 C ATOM 126 CD ARG A 9 -10.714 -12.688 -2.205 1.00 0.00 C ATOM 127 NE ARG A 9 -10.769 -13.762 -3.191 1.00 0.00 N ATOM 128 CZ ARG A 9 -9.793 -14.659 -3.284 1.00 0.00 C ATOM 129 NH1 ARG A 9 -8.772 -14.600 -2.472 1.00 0.00 N ATOM 130 NH2 ARG A 9 -9.859 -15.601 -4.185 1.00 0.00 N ATOM 0 H ARG A 9 -8.334 -9.717 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.006 -8.422 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.657 -10.744 -0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.840 -9.955 -1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.078 -11.248 -3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.762 -11.946 -2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.360 -13.078 -1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.714 -12.289 -2.035 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.570 -13.825 -3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.724 -13.865 -1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.023 -15.289 -2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.659 -15.648 -4.816 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.111 -16.290 -4.258 1.00 0.00 H new ATOM 144 N GLU A 10 -6.752 -10.537 -2.661 1.00 0.00 N ATOM 145 CA GLU A 10 -5.405 -11.056 -2.421 1.00 0.00 C ATOM 146 C GLU A 10 -4.376 -10.183 -3.137 1.00 0.00 C ATOM 147 O GLU A 10 -3.268 -9.975 -2.641 1.00 0.00 O ATOM 148 CB GLU A 10 -5.316 -12.493 -2.923 1.00 0.00 C ATOM 149 CG GLU A 10 -3.869 -12.990 -2.838 1.00 0.00 C ATOM 150 CD GLU A 10 -3.836 -14.513 -2.912 1.00 0.00 C ATOM 151 OE1 GLU A 10 -4.050 -15.139 -1.887 1.00 0.00 O ATOM 152 OE2 GLU A 10 -3.599 -15.030 -3.991 1.00 0.00 O ATOM 0 H GLU A 10 -7.130 -10.758 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.195 -11.038 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.965 -13.135 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.669 -12.550 -3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.281 -12.565 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.414 -12.653 -1.907 1.00 0.00 H new ATOM 159 N THR A 11 -4.761 -9.658 -4.299 1.00 0.00 N ATOM 160 CA THR A 11 -3.881 -8.785 -5.071 1.00 0.00 C ATOM 161 C THR A 11 -3.900 -7.405 -4.437 1.00 0.00 C ATOM 162 O THR A 11 -2.878 -6.907 -3.967 1.00 0.00 O ATOM 163 CB THR A 11 -4.373 -8.705 -6.524 1.00 0.00 C ATOM 164 OG1 THR A 11 -4.079 -9.927 -7.185 1.00 0.00 O ATOM 165 CG2 THR A 11 -3.688 -7.549 -7.265 1.00 0.00 C ATOM 0 H THR A 11 -5.673 -9.822 -4.725 1.00 0.00 H new ATOM 0 HA THR A 11 -2.865 -9.179 -5.071 1.00 0.00 H new ATOM 0 HB THR A 11 -5.449 -8.529 -6.521 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.393 -9.881 -8.112 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.050 -7.510 -8.292 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.917 -6.609 -6.763 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.609 -7.706 -7.267 1.00 0.00 H new ATOM 173 N ALA A 12 -5.090 -6.813 -4.436 1.00 0.00 N ATOM 174 CA ALA A 12 -5.319 -5.487 -3.861 1.00 0.00 C ATOM 175 C ALA A 12 -4.337 -5.202 -2.723 1.00 0.00 C ATOM 176 O ALA A 12 -3.674 -4.165 -2.695 1.00 0.00 O ATOM 177 CB ALA A 12 -6.750 -5.431 -3.328 1.00 0.00 C ATOM 0 H ALA A 12 -5.927 -7.239 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.167 -4.733 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.939 -4.449 -2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.450 -5.608 -4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.884 -6.196 -2.563 1.00 0.00 H new ATOM 183 N LEU A 13 -4.266 -6.139 -1.791 1.00 0.00 N ATOM 184 CA LEU A 13 -3.385 -6.023 -0.633 1.00 0.00 C ATOM 185 C LEU A 13 -1.969 -5.646 -1.062 1.00 0.00 C ATOM 186 O LEU A 13 -1.338 -4.782 -0.457 1.00 0.00 O ATOM 187 CB LEU A 13 -3.357 -7.364 0.117 1.00 0.00 C ATOM 188 CG LEU A 13 -4.649 -7.564 0.931 1.00 0.00 C ATOM 189 CD1 LEU A 13 -5.882 -7.198 0.094 1.00 0.00 C ATOM 190 CD2 LEU A 13 -4.753 -9.035 1.346 1.00 0.00 C ATOM 0 H LEU A 13 -4.814 -6.999 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.766 -5.238 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.240 -8.181 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.494 -7.395 0.782 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.614 -6.918 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.783 -7.347 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.817 -6.154 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.923 -7.833 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.665 -9.187 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.778 -9.663 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.890 -9.303 1.955 1.00 0.00 H new ATOM 202 N ARG A 14 -1.473 -6.307 -2.104 1.00 0.00 N ATOM 203 CA ARG A 14 -0.127 -6.041 -2.603 1.00 0.00 C ATOM 204 C ARG A 14 0.128 -4.540 -2.713 1.00 0.00 C ATOM 205 O ARG A 14 1.187 -4.049 -2.318 1.00 0.00 O ATOM 206 CB ARG A 14 0.055 -6.692 -3.977 1.00 0.00 C ATOM 207 CG ARG A 14 -0.129 -8.207 -3.855 1.00 0.00 C ATOM 208 CD ARG A 14 0.041 -8.855 -5.230 1.00 0.00 C ATOM 209 NE ARG A 14 1.409 -8.678 -5.707 1.00 0.00 N ATOM 210 CZ ARG A 14 1.902 -9.438 -6.682 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.161 -10.365 -7.225 1.00 0.00 N ATOM 212 NH2 ARG A 14 3.127 -9.257 -7.093 1.00 0.00 N ATOM 0 H ARG A 14 -1.980 -7.028 -2.618 1.00 0.00 H new ATOM 0 HA ARG A 14 0.588 -6.464 -1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.668 -6.283 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.047 -6.466 -4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.599 -8.617 -3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.117 -8.433 -3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.196 -9.917 -5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.659 -8.411 -5.938 1.00 0.00 H new ATOM 0 HE ARG A 14 1.997 -7.959 -5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.204 -10.507 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.539 -10.947 -7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.706 -8.533 -6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.506 -9.839 -7.840 1.00 0.00 H new ATOM 226 N ILE A 15 -0.845 -3.816 -3.256 1.00 0.00 N ATOM 227 CA ILE A 15 -0.715 -2.372 -3.418 1.00 0.00 C ATOM 228 C ILE A 15 -0.623 -1.690 -2.052 1.00 0.00 C ATOM 229 O ILE A 15 -0.233 -0.526 -1.956 1.00 0.00 O ATOM 230 CB ILE A 15 -1.920 -1.826 -4.203 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.801 -2.229 -5.679 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.964 -0.297 -4.108 1.00 0.00 C ATOM 233 CD1 ILE A 15 -1.858 -3.753 -5.820 1.00 0.00 C ATOM 0 H ILE A 15 -1.728 -4.203 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 15 0.199 -2.159 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.832 -2.243 -3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.607 -1.773 -6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.864 -1.854 -6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.821 0.078 -4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.055 0.000 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.048 0.120 -4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.772 -4.025 -6.872 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.036 -4.201 -5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.806 -4.120 -5.427 1.00 0.00 H new ATOM 245 N ALA A 16 -0.993 -2.419 -0.998 1.00 0.00 N ATOM 246 CA ALA A 16 -0.957 -1.879 0.359 1.00 0.00 C ATOM 247 C ALA A 16 0.287 -2.334 1.103 1.00 0.00 C ATOM 248 O ALA A 16 0.672 -1.735 2.105 1.00 0.00 O ATOM 249 CB ALA A 16 -2.210 -2.296 1.128 1.00 0.00 C ATOM 0 H ALA A 16 -1.320 -3.383 -1.059 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.927 -0.792 0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.170 -1.887 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.094 -1.915 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.260 -3.384 1.179 1.00 0.00 H new ATOM 255 N LEU A 17 0.931 -3.374 0.601 1.00 0.00 N ATOM 256 CA LEU A 17 2.153 -3.857 1.230 1.00 0.00 C ATOM 257 C LEU A 17 3.262 -2.848 0.957 1.00 0.00 C ATOM 258 O LEU A 17 4.199 -2.704 1.740 1.00 0.00 O ATOM 259 CB LEU A 17 2.528 -5.252 0.674 1.00 0.00 C ATOM 260 CG LEU A 17 2.079 -6.370 1.640 1.00 0.00 C ATOM 261 CD1 LEU A 17 2.863 -6.288 2.969 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.568 -6.252 1.908 1.00 0.00 C ATOM 0 H LEU A 17 0.637 -3.894 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 17 2.008 -3.959 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.060 -5.398 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.606 -5.309 0.521 1.00 0.00 H new ATOM 0 HG LEU A 17 2.287 -7.335 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.532 -7.084 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.929 -6.401 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.682 -5.322 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.257 -7.043 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.352 -5.282 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.023 -6.348 0.969 1.00 0.00 H new ATOM 274 N ALA A 18 3.130 -2.148 -0.163 1.00 0.00 N ATOM 275 CA ALA A 18 4.104 -1.140 -0.548 1.00 0.00 C ATOM 276 C ALA A 18 4.181 -0.047 0.504 1.00 0.00 C ATOM 277 O ALA A 18 5.265 0.437 0.825 1.00 0.00 O ATOM 278 CB ALA A 18 3.714 -0.552 -1.899 1.00 0.00 C ATOM 0 H ALA A 18 2.357 -2.261 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 18 5.088 -1.603 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.443 0.204 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.693 -1.344 -2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.727 -0.096 -1.826 1.00 0.00 H new ATOM 284 N ALA A 19 3.028 0.340 1.044 1.00 0.00 N ATOM 285 CA ALA A 19 3.005 1.378 2.072 1.00 0.00 C ATOM 286 C ALA A 19 4.143 1.141 3.069 1.00 0.00 C ATOM 287 O ALA A 19 4.746 2.087 3.575 1.00 0.00 O ATOM 288 CB ALA A 19 1.658 1.387 2.796 1.00 0.00 C ATOM 0 H ALA A 19 2.115 -0.040 0.794 1.00 0.00 H new ATOM 0 HA ALA A 19 3.143 2.349 1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.660 2.166 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.861 1.582 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.492 0.419 3.268 1.00 0.00 H new ATOM 294 N ARG A 20 4.442 -0.133 3.326 1.00 0.00 N ATOM 295 CA ARG A 20 5.523 -0.480 4.240 1.00 0.00 C ATOM 296 C ARG A 20 6.861 -0.043 3.651 1.00 0.00 C ATOM 297 O ARG A 20 7.736 0.446 4.365 1.00 0.00 O ATOM 298 CB ARG A 20 5.536 -1.989 4.495 1.00 0.00 C ATOM 299 CG ARG A 20 6.684 -2.339 5.444 1.00 0.00 C ATOM 300 CD ARG A 20 6.548 -3.796 5.894 1.00 0.00 C ATOM 301 NE ARG A 20 7.613 -4.141 6.828 1.00 0.00 N ATOM 302 CZ ARG A 20 7.530 -5.225 7.594 1.00 0.00 C ATOM 303 NH1 ARG A 20 6.488 -6.007 7.504 1.00 0.00 N ATOM 304 NH2 ARG A 20 8.491 -5.507 8.432 1.00 0.00 N ATOM 0 H ARG A 20 3.955 -0.931 2.918 1.00 0.00 H new ATOM 0 HA ARG A 20 5.362 0.036 5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.586 -2.303 4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.652 -2.526 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.641 -2.189 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.669 -1.677 6.310 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.578 -3.948 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.588 -4.456 5.028 1.00 0.00 H new ATOM 0 HE ARG A 20 8.435 -3.541 6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.740 -5.786 6.847 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.422 -6.839 8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.305 -4.896 8.499 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.428 -6.338 9.020 1.00 0.00 H new ATOM 318 N ALA A 21 7.007 -0.214 2.338 1.00 0.00 N ATOM 319 CA ALA A 21 8.235 0.177 1.652 1.00 0.00 C ATOM 320 C ALA A 21 8.487 1.660 1.838 1.00 0.00 C ATOM 321 O ALA A 21 9.529 2.178 1.439 1.00 0.00 O ATOM 322 CB ALA A 21 8.113 -0.101 0.154 1.00 0.00 C ATOM 0 H ALA A 21 6.294 -0.619 1.732 1.00 0.00 H new ATOM 0 HA ALA A 21 9.058 -0.400 2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.035 0.195 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.938 -1.165 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.279 0.469 -0.255 1.00 0.00 H new ATOM 328 N LEU A 22 7.518 2.343 2.438 1.00 0.00 N ATOM 329 CA LEU A 22 7.616 3.780 2.669 1.00 0.00 C ATOM 330 C LEU A 22 7.540 4.067 4.179 1.00 0.00 C ATOM 331 O LEU A 22 6.523 3.768 4.804 1.00 0.00 O ATOM 332 CB LEU A 22 6.449 4.485 1.966 1.00 0.00 C ATOM 333 CG LEU A 22 6.224 3.908 0.553 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.930 4.493 -0.030 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.423 4.246 -0.361 1.00 0.00 C ATOM 0 H LEU A 22 6.652 1.922 2.775 1.00 0.00 H new ATOM 0 HA LEU A 22 8.564 4.146 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.541 4.371 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.653 5.554 1.898 1.00 0.00 H new ATOM 0 HG LEU A 22 6.136 2.823 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.766 4.089 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.090 4.228 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.015 5.578 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.251 3.833 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.533 5.328 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.333 3.816 0.058 1.00 0.00 H new ATOM 347 N PRO A 23 8.569 4.625 4.790 1.00 0.00 N ATOM 348 CA PRO A 23 8.553 4.918 6.254 1.00 0.00 C ATOM 349 C PRO A 23 7.800 6.207 6.584 1.00 0.00 C ATOM 350 O PRO A 23 8.406 7.203 6.978 1.00 0.00 O ATOM 351 CB PRO A 23 10.039 5.042 6.595 1.00 0.00 C ATOM 352 CG PRO A 23 10.661 5.601 5.355 1.00 0.00 C ATOM 353 CD PRO A 23 9.850 5.039 4.177 1.00 0.00 C ATOM 0 HA PRO A 23 8.035 4.148 6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.197 5.700 7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.469 4.074 6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.632 6.691 5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.709 5.310 5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.697 5.791 3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.359 4.197 3.708 1.00 0.00 H new ATOM 361 N GLY A 24 6.476 6.180 6.428 1.00 0.00 N ATOM 362 CA GLY A 24 5.653 7.354 6.721 1.00 0.00 C ATOM 363 C GLY A 24 4.457 7.440 5.778 1.00 0.00 C ATOM 364 O GLY A 24 3.316 7.580 6.217 1.00 0.00 O ATOM 0 H GLY A 24 5.954 5.366 6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.303 7.308 7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.257 8.257 6.629 1.00 0.00 H new ATOM 368 N THR A 25 4.728 7.369 4.480 1.00 0.00 N ATOM 369 CA THR A 25 3.670 7.452 3.480 1.00 0.00 C ATOM 370 C THR A 25 2.660 6.321 3.652 1.00 0.00 C ATOM 371 O THR A 25 3.032 5.156 3.802 1.00 0.00 O ATOM 372 CB THR A 25 4.281 7.379 2.081 1.00 0.00 C ATOM 373 OG1 THR A 25 5.446 8.193 2.029 1.00 0.00 O ATOM 374 CG2 THR A 25 3.270 7.865 1.046 1.00 0.00 C ATOM 0 H THR A 25 5.666 7.255 4.097 1.00 0.00 H new ATOM 0 HA THR A 25 3.150 8.401 3.611 1.00 0.00 H new ATOM 0 HB THR A 25 4.549 6.346 1.860 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.204 7.659 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.713 7.810 0.051 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.381 7.236 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.994 8.897 1.264 1.00 0.00 H new ATOM 382 N THR A 26 1.378 6.675 3.622 1.00 0.00 N ATOM 383 CA THR A 26 0.307 5.698 3.768 1.00 0.00 C ATOM 384 C THR A 26 -0.065 5.117 2.400 1.00 0.00 C ATOM 385 O THR A 26 0.363 5.619 1.362 1.00 0.00 O ATOM 386 CB THR A 26 -0.917 6.389 4.421 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.586 7.739 4.700 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.296 5.695 5.729 1.00 0.00 C ATOM 0 H THR A 26 1.057 7.635 3.497 1.00 0.00 H new ATOM 0 HA THR A 26 0.638 4.877 4.404 1.00 0.00 H new ATOM 0 HB THR A 26 -1.761 6.332 3.734 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.355 8.186 5.112 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.157 6.196 6.170 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.546 4.653 5.529 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.456 5.740 6.422 1.00 0.00 H new ATOM 396 N VAL A 27 -0.851 4.049 2.417 1.00 0.00 N ATOM 397 CA VAL A 27 -1.266 3.397 1.179 1.00 0.00 C ATOM 398 C VAL A 27 -2.016 4.364 0.274 1.00 0.00 C ATOM 399 O VAL A 27 -1.633 4.586 -0.875 1.00 0.00 O ATOM 400 CB VAL A 27 -2.189 2.208 1.476 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.417 1.409 0.188 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.573 1.291 2.539 1.00 0.00 C ATOM 0 H VAL A 27 -1.213 3.617 3.267 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.360 3.054 0.679 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.137 2.590 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.073 0.563 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.880 2.051 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.461 1.044 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.246 0.455 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.616 0.911 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.419 1.854 3.460 1.00 0.00 H new ATOM 412 N GLY A 28 -3.108 4.909 0.794 1.00 0.00 N ATOM 413 CA GLY A 28 -3.938 5.822 0.021 1.00 0.00 C ATOM 414 C GLY A 28 -3.275 7.178 -0.195 1.00 0.00 C ATOM 415 O GLY A 28 -3.932 8.115 -0.648 1.00 0.00 O ATOM 0 H GLY A 28 -3.438 4.736 1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.161 5.373 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.889 5.965 0.534 1.00 0.00 H new ATOM 419 N GLN A 29 -1.981 7.301 0.122 1.00 0.00 N ATOM 420 CA GLN A 29 -1.291 8.582 -0.066 1.00 0.00 C ATOM 421 C GLN A 29 -0.484 8.571 -1.357 1.00 0.00 C ATOM 422 O GLN A 29 -0.052 9.620 -1.830 1.00 0.00 O ATOM 423 CB GLN A 29 -0.358 8.869 1.124 1.00 0.00 C ATOM 424 CG GLN A 29 -1.162 9.438 2.300 1.00 0.00 C ATOM 425 CD GLN A 29 -1.668 10.838 1.964 1.00 0.00 C ATOM 426 OE1 GLN A 29 -0.900 11.799 1.985 1.00 0.00 O ATOM 427 NE2 GLN A 29 -2.923 11.009 1.651 1.00 0.00 N ATOM 0 H GLN A 29 -1.403 6.551 0.500 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.045 9.367 -0.126 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.148 7.953 1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.416 9.576 0.827 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.004 8.783 2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.538 9.473 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.558 10.211 1.634 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.269 11.941 1.423 1.00 0.00 H new ATOM 436 N LEU A 30 -0.265 7.383 -1.920 1.00 0.00 N ATOM 437 CA LEU A 30 0.518 7.262 -3.153 1.00 0.00 C ATOM 438 C LEU A 30 -0.376 7.095 -4.381 1.00 0.00 C ATOM 439 O LEU A 30 0.017 7.469 -5.486 1.00 0.00 O ATOM 440 CB LEU A 30 1.467 6.063 -3.031 1.00 0.00 C ATOM 441 CG LEU A 30 2.265 5.861 -4.330 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.035 7.142 -4.682 1.00 0.00 C ATOM 443 CD2 LEU A 30 3.252 4.706 -4.129 1.00 0.00 C ATOM 0 H LEU A 30 -0.613 6.499 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 30 1.088 8.182 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.153 6.220 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.895 5.163 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 30 1.580 5.629 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.596 6.987 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.332 7.963 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.724 7.386 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.824 4.553 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.932 4.947 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.703 3.796 -3.888 1.00 0.00 H new ATOM 455 N LEU A 31 -1.569 6.529 -4.204 1.00 0.00 N ATOM 456 CA LEU A 31 -2.479 6.323 -5.333 1.00 0.00 C ATOM 457 C LEU A 31 -3.397 7.529 -5.518 1.00 0.00 C ATOM 458 O LEU A 31 -3.593 8.009 -6.635 1.00 0.00 O ATOM 459 CB LEU A 31 -3.342 5.077 -5.088 1.00 0.00 C ATOM 460 CG LEU A 31 -2.502 3.791 -5.215 1.00 0.00 C ATOM 461 CD1 LEU A 31 -2.008 3.606 -6.663 1.00 0.00 C ATOM 462 CD2 LEU A 31 -1.303 3.851 -4.258 1.00 0.00 C ATOM 0 H LEU A 31 -1.926 6.208 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.877 6.191 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.788 5.128 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.163 5.052 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.130 2.940 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.417 2.693 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.865 3.535 -7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.393 4.459 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.715 2.938 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.682 4.711 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.660 3.946 -3.233 1.00 0.00 H new ATOM 474 N GLU A 32 -3.969 8.002 -4.413 1.00 0.00 N ATOM 475 CA GLU A 32 -4.886 9.142 -4.445 1.00 0.00 C ATOM 476 C GLU A 32 -4.451 10.191 -5.472 1.00 0.00 C ATOM 477 O GLU A 32 -5.279 10.948 -5.979 1.00 0.00 O ATOM 478 CB GLU A 32 -4.962 9.781 -3.057 1.00 0.00 C ATOM 479 CG GLU A 32 -5.939 10.958 -3.085 1.00 0.00 C ATOM 480 CD GLU A 32 -6.233 11.421 -1.662 1.00 0.00 C ATOM 481 OE1 GLU A 32 -5.374 12.063 -1.081 1.00 0.00 O ATOM 482 OE2 GLU A 32 -7.311 11.124 -1.174 1.00 0.00 O ATOM 0 H GLU A 32 -3.814 7.614 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.868 8.773 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.287 9.043 -2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.974 10.123 -2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.517 11.779 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.864 10.662 -3.579 1.00 0.00 H new ATOM 489 N ILE A 33 -3.156 10.235 -5.774 1.00 0.00 N ATOM 490 CA ILE A 33 -2.637 11.201 -6.745 1.00 0.00 C ATOM 491 C ILE A 33 -2.751 10.646 -8.166 1.00 0.00 C ATOM 492 O ILE A 33 -3.119 11.366 -9.092 1.00 0.00 O ATOM 493 CB ILE A 33 -1.170 11.528 -6.425 1.00 0.00 C ATOM 494 CG1 ILE A 33 -1.101 12.390 -5.159 1.00 0.00 C ATOM 495 CG2 ILE A 33 -0.533 12.299 -7.589 1.00 0.00 C ATOM 496 CD1 ILE A 33 -1.648 11.610 -3.957 1.00 0.00 C ATOM 0 H ILE A 33 -2.451 9.621 -5.366 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.230 12.113 -6.680 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.628 10.595 -6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.070 12.689 -4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.677 13.305 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.506 12.525 -7.350 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.574 11.692 -8.493 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.078 13.229 -7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.594 12.233 -3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.686 11.334 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.054 10.708 -3.807 1.00 0.00 H new ATOM 508 N LEU A 34 -2.424 9.368 -8.331 1.00 0.00 N ATOM 509 CA LEU A 34 -2.487 8.743 -9.648 1.00 0.00 C ATOM 510 C LEU A 34 -3.863 8.955 -10.279 1.00 0.00 C ATOM 511 O LEU A 34 -4.043 9.853 -11.102 1.00 0.00 O ATOM 512 CB LEU A 34 -2.181 7.244 -9.534 1.00 0.00 C ATOM 513 CG LEU A 34 -2.442 6.534 -10.872 1.00 0.00 C ATOM 514 CD1 LEU A 34 -1.745 7.284 -12.012 1.00 0.00 C ATOM 515 CD2 LEU A 34 -1.895 5.105 -10.794 1.00 0.00 C ATOM 0 H LEU A 34 -2.116 8.751 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.739 9.209 -10.289 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.142 7.101 -9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.799 6.800 -8.754 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.514 6.514 -11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.937 6.772 -12.955 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.130 8.302 -12.067 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.671 7.312 -11.826 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.076 4.594 -11.740 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.823 5.136 -10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.396 4.567 -9.989 1.00 0.00 H new ATOM 527 N HIS A 35 -4.828 8.127 -9.892 1.00 0.00 N ATOM 528 CA HIS A 35 -6.177 8.243 -10.436 1.00 0.00 C ATOM 529 C HIS A 35 -6.856 9.505 -9.917 1.00 0.00 C ATOM 530 O HIS A 35 -6.472 10.048 -8.881 1.00 0.00 O ATOM 531 CB HIS A 35 -7.013 7.018 -10.058 1.00 0.00 C ATOM 532 CG HIS A 35 -6.887 6.752 -8.582 1.00 0.00 C ATOM 533 ND1 HIS A 35 -7.688 7.387 -7.646 1.00 0.00 N ATOM 534 CD2 HIS A 35 -6.068 5.915 -7.868 1.00 0.00 C ATOM 535 CE1 HIS A 35 -7.336 6.924 -6.432 1.00 0.00 C ATOM 536 NE2 HIS A 35 -6.353 6.025 -6.511 1.00 0.00 N ATOM 0 H HIS A 35 -4.704 7.377 -9.212 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.101 8.302 -11.522 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.058 7.185 -10.319 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.678 6.149 -10.624 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -8.412 8.079 -7.841 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.316 5.268 -8.295 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.794 7.241 -5.507 1.00 0.00 H new ATOM 545 N GLN A 36 -7.869 9.969 -10.649 1.00 0.00 N ATOM 546 CA GLN A 36 -8.607 11.177 -10.266 1.00 0.00 C ATOM 547 C GLN A 36 -10.112 10.909 -10.260 1.00 0.00 C ATOM 548 O GLN A 36 -10.610 10.141 -9.437 1.00 0.00 O ATOM 549 CB GLN A 36 -8.285 12.305 -11.249 1.00 0.00 C ATOM 550 CG GLN A 36 -6.771 12.519 -11.306 1.00 0.00 C ATOM 551 CD GLN A 36 -6.268 13.089 -9.983 1.00 0.00 C ATOM 552 OE1 GLN A 36 -6.313 14.378 -9.779 1.00 0.00 O flip ATOM 553 NE2 GLN A 36 -5.824 12.341 -9.112 1.00 0.00 N flip ATOM 0 H GLN A 36 -8.198 9.529 -11.509 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.304 11.470 -9.261 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.665 12.057 -12.240 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.781 13.225 -10.938 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.271 11.574 -11.516 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.523 13.199 -12.121 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.790 11.334 -9.273 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.490 12.728 -8.229 1.00 0.00 H new ATOM 562 N ARG A 37 -10.834 11.550 -11.178 1.00 0.00 N ATOM 563 CA ARG A 37 -12.280 11.374 -11.262 1.00 0.00 C ATOM 564 C ARG A 37 -12.628 9.968 -11.746 1.00 0.00 C ATOM 565 O ARG A 37 -12.022 8.985 -11.319 1.00 0.00 O ATOM 566 CB ARG A 37 -12.879 12.411 -12.218 1.00 0.00 C ATOM 567 CG ARG A 37 -12.374 13.808 -11.847 1.00 0.00 C ATOM 568 CD ARG A 37 -12.894 14.826 -12.864 1.00 0.00 C ATOM 569 NE ARG A 37 -12.678 16.184 -12.376 1.00 0.00 N ATOM 570 CZ ARG A 37 -11.458 16.711 -12.333 1.00 0.00 C ATOM 571 NH1 ARG A 37 -10.432 16.015 -12.736 1.00 0.00 N ATOM 572 NH2 ARG A 37 -11.289 17.927 -11.893 1.00 0.00 N ATOM 0 H ARG A 37 -10.443 12.191 -11.869 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.700 11.513 -10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.602 12.175 -13.246 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.967 12.382 -12.166 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.711 14.074 -10.845 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.284 13.820 -11.830 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.385 14.690 -13.818 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.956 14.661 -13.043 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.475 16.738 -12.063 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.565 15.066 -13.085 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.496 16.420 -12.703 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.092 18.473 -11.582 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.353 18.332 -11.860 1.00 0.00 H new ATOM 586 N ILE A 38 -13.611 9.882 -12.640 1.00 0.00 N ATOM 587 CA ILE A 38 -14.044 8.596 -13.181 1.00 0.00 C ATOM 588 C ILE A 38 -12.844 7.701 -13.489 1.00 0.00 C ATOM 589 O ILE A 38 -11.802 8.176 -13.939 1.00 0.00 O ATOM 590 CB ILE A 38 -14.859 8.829 -14.459 1.00 0.00 C ATOM 591 CG1 ILE A 38 -15.356 7.491 -15.034 1.00 0.00 C ATOM 592 CG2 ILE A 38 -13.980 9.527 -15.500 1.00 0.00 C ATOM 593 CD1 ILE A 38 -16.262 6.778 -14.023 1.00 0.00 C ATOM 0 H ILE A 38 -14.122 10.686 -13.004 1.00 0.00 H new ATOM 0 HA ILE A 38 -14.661 8.095 -12.435 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.720 9.451 -14.217 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.902 7.667 -15.961 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.505 6.856 -15.281 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.557 9.694 -16.410 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.639 10.484 -15.105 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.118 8.900 -15.727 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.605 5.833 -14.445 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -15.704 6.585 -13.107 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -17.122 7.408 -13.797 1.00 0.00 H new ATOM 605 N GLU A 39 -13.007 6.403 -13.250 1.00 0.00 N ATOM 606 CA GLU A 39 -11.940 5.442 -13.510 1.00 0.00 C ATOM 607 C GLU A 39 -12.508 4.027 -13.578 1.00 0.00 C ATOM 608 O GLU A 39 -13.717 3.830 -13.458 1.00 0.00 O ATOM 609 CB GLU A 39 -10.876 5.520 -12.414 1.00 0.00 C ATOM 610 CG GLU A 39 -11.510 5.207 -11.056 1.00 0.00 C ATOM 611 CD GLU A 39 -10.478 5.386 -9.947 1.00 0.00 C ATOM 612 OE1 GLU A 39 -9.298 5.343 -10.251 1.00 0.00 O ATOM 613 OE2 GLU A 39 -10.884 5.565 -8.810 1.00 0.00 O ATOM 0 H GLU A 39 -13.864 5.994 -12.878 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.481 5.687 -14.468 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.073 4.813 -12.623 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.430 6.514 -12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.361 5.865 -10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.890 4.186 -11.049 1.00 0.00 H new ATOM 620 N GLY A 40 -11.632 3.047 -13.771 1.00 0.00 N ATOM 621 CA GLY A 40 -12.069 1.657 -13.853 1.00 0.00 C ATOM 622 C GLY A 40 -10.902 0.698 -13.622 1.00 0.00 C ATOM 623 O GLY A 40 -10.847 0.015 -12.599 1.00 0.00 O ATOM 0 H GLY A 40 -10.627 3.186 -13.873 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.847 1.473 -13.112 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.510 1.469 -14.832 1.00 0.00 H new ATOM 627 N PRO A 41 -9.976 0.634 -14.546 1.00 0.00 N ATOM 628 CA PRO A 41 -8.791 -0.263 -14.432 1.00 0.00 C ATOM 629 C PRO A 41 -8.213 -0.267 -13.016 1.00 0.00 C ATOM 630 O PRO A 41 -8.196 0.763 -12.344 1.00 0.00 O ATOM 631 CB PRO A 41 -7.804 0.333 -15.440 1.00 0.00 C ATOM 632 CG PRO A 41 -8.667 0.941 -16.501 1.00 0.00 C ATOM 633 CD PRO A 41 -9.955 1.408 -15.801 1.00 0.00 C ATOM 0 HA PRO A 41 -9.031 -1.307 -14.634 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.164 1.081 -14.973 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.149 -0.434 -15.853 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.160 1.779 -16.980 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.891 0.215 -17.282 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.939 2.481 -15.609 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.836 1.206 -16.410 1.00 0.00 H new ATOM 641 N LEU A 42 -7.748 -1.430 -12.567 1.00 0.00 N ATOM 642 CA LEU A 42 -7.180 -1.540 -11.227 1.00 0.00 C ATOM 643 C LEU A 42 -6.311 -2.790 -11.095 1.00 0.00 C ATOM 644 O LEU A 42 -5.963 -3.198 -9.987 1.00 0.00 O ATOM 645 CB LEU A 42 -8.306 -1.563 -10.181 1.00 0.00 C ATOM 646 CG LEU A 42 -9.011 -2.927 -10.169 1.00 0.00 C ATOM 647 CD1 LEU A 42 -10.264 -2.840 -9.293 1.00 0.00 C ATOM 648 CD2 LEU A 42 -9.417 -3.318 -11.594 1.00 0.00 C ATOM 0 H LEU A 42 -7.753 -2.298 -13.103 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.546 -0.671 -11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.896 -1.352 -9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.029 -0.777 -10.400 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.331 -3.679 -9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.768 -3.807 -9.282 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.979 -2.567 -8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.938 -2.084 -9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.916 -4.287 -11.577 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.096 -2.567 -11.998 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.528 -3.379 -12.222 1.00 0.00 H new ATOM 660 N THR A 43 -5.958 -3.390 -12.229 1.00 0.00 N ATOM 661 CA THR A 43 -5.123 -4.588 -12.219 1.00 0.00 C ATOM 662 C THR A 43 -3.654 -4.206 -12.058 1.00 0.00 C ATOM 663 O THR A 43 -3.271 -3.063 -12.306 1.00 0.00 O ATOM 664 CB THR A 43 -5.309 -5.375 -13.524 1.00 0.00 C ATOM 665 OG1 THR A 43 -4.393 -4.896 -14.499 1.00 0.00 O ATOM 666 CG2 THR A 43 -6.738 -5.190 -14.037 1.00 0.00 C ATOM 0 H THR A 43 -6.234 -3.070 -13.158 1.00 0.00 H new ATOM 0 HA THR A 43 -5.425 -5.213 -11.378 1.00 0.00 H new ATOM 0 HB THR A 43 -5.125 -6.433 -13.337 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.510 -5.399 -15.332 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.867 -5.750 -14.963 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.443 -5.556 -13.290 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.924 -4.132 -14.223 1.00 0.00 H new ATOM 674 N GLU A 44 -2.841 -5.168 -11.639 1.00 0.00 N ATOM 675 CA GLU A 44 -1.417 -4.919 -11.446 1.00 0.00 C ATOM 676 C GLU A 44 -0.825 -4.204 -12.659 1.00 0.00 C ATOM 677 O GLU A 44 0.207 -3.540 -12.559 1.00 0.00 O ATOM 678 CB GLU A 44 -0.677 -6.240 -11.225 1.00 0.00 C ATOM 679 CG GLU A 44 -0.843 -7.131 -12.457 1.00 0.00 C ATOM 680 CD GLU A 44 -0.272 -8.517 -12.179 1.00 0.00 C ATOM 681 OE1 GLU A 44 -0.989 -9.331 -11.622 1.00 0.00 O ATOM 682 OE2 GLU A 44 0.875 -8.745 -12.531 1.00 0.00 O ATOM 0 H GLU A 44 -3.139 -6.120 -11.428 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.299 -4.284 -10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.380 -6.050 -11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.069 -6.745 -10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.898 -7.209 -12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.334 -6.684 -13.311 1.00 0.00 H new ATOM 689 N GLU A 45 -1.482 -4.354 -13.808 1.00 0.00 N ATOM 690 CA GLU A 45 -1.010 -3.729 -15.040 1.00 0.00 C ATOM 691 C GLU A 45 -1.319 -2.233 -15.051 1.00 0.00 C ATOM 692 O GLU A 45 -0.501 -1.429 -15.499 1.00 0.00 O ATOM 693 CB GLU A 45 -1.677 -4.394 -16.246 1.00 0.00 C ATOM 694 CG GLU A 45 -0.947 -3.982 -17.527 1.00 0.00 C ATOM 695 CD GLU A 45 0.399 -4.691 -17.614 1.00 0.00 C ATOM 696 OE1 GLU A 45 0.401 -5.899 -17.784 1.00 0.00 O ATOM 697 OE2 GLU A 45 1.410 -4.016 -17.507 1.00 0.00 O ATOM 0 H GLU A 45 -2.338 -4.900 -13.910 1.00 0.00 H new ATOM 0 HA GLU A 45 0.071 -3.860 -15.095 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.655 -5.478 -16.135 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.725 -4.101 -16.302 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.555 -4.231 -18.397 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.799 -2.902 -17.539 1.00 0.00 H new ATOM 704 N SER A 46 -2.499 -1.864 -14.563 1.00 0.00 N ATOM 705 CA SER A 46 -2.891 -0.459 -14.534 1.00 0.00 C ATOM 706 C SER A 46 -1.830 0.375 -13.825 1.00 0.00 C ATOM 707 O SER A 46 -1.582 1.524 -14.189 1.00 0.00 O ATOM 708 CB SER A 46 -4.232 -0.303 -13.815 1.00 0.00 C ATOM 709 OG SER A 46 -5.181 -1.194 -14.389 1.00 0.00 O ATOM 0 H SER A 46 -3.193 -2.509 -14.186 1.00 0.00 H new ATOM 0 HA SER A 46 -2.990 -0.107 -15.561 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.114 -0.514 -12.752 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.585 0.725 -13.898 1.00 0.00 H new ATOM 0 HG SER A 46 -5.068 -1.210 -15.362 1.00 0.00 H new ATOM 715 N LEU A 47 -1.201 -0.216 -12.815 1.00 0.00 N ATOM 716 CA LEU A 47 -0.161 0.481 -12.063 1.00 0.00 C ATOM 717 C LEU A 47 0.997 0.846 -12.990 1.00 0.00 C ATOM 718 O LEU A 47 1.623 1.896 -12.841 1.00 0.00 O ATOM 719 CB LEU A 47 0.352 -0.418 -10.927 1.00 0.00 C ATOM 720 CG LEU A 47 -0.643 -0.436 -9.749 1.00 0.00 C ATOM 721 CD1 LEU A 47 -0.599 0.893 -8.973 1.00 0.00 C ATOM 722 CD2 LEU A 47 -2.066 -0.680 -10.268 1.00 0.00 C ATOM 0 H LEU A 47 -1.390 -1.167 -12.499 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.582 1.393 -11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.500 -1.432 -11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.322 -0.059 -10.584 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.357 -1.243 -9.075 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.309 0.856 -8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.405 1.052 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.862 1.713 -9.641 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.762 -0.691 -9.429 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.343 0.116 -10.959 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.105 -1.639 -10.785 1.00 0.00 H new ATOM 734 N GLN A 48 1.269 -0.034 -13.942 1.00 0.00 N ATOM 735 CA GLN A 48 2.347 0.188 -14.897 1.00 0.00 C ATOM 736 C GLN A 48 1.979 1.305 -15.864 1.00 0.00 C ATOM 737 O GLN A 48 1.684 1.055 -17.033 1.00 0.00 O ATOM 738 CB GLN A 48 2.621 -1.095 -15.680 1.00 0.00 C ATOM 739 CG GLN A 48 2.737 -2.270 -14.706 1.00 0.00 C ATOM 740 CD GLN A 48 3.059 -3.549 -15.469 1.00 0.00 C ATOM 741 OE1 GLN A 48 2.416 -4.648 -15.181 1.00 0.00 O flip ATOM 742 NE2 GLN A 48 3.920 -3.548 -16.350 1.00 0.00 N flip ATOM 0 H GLN A 48 0.760 -0.908 -14.075 1.00 0.00 H new ATOM 0 HA GLN A 48 3.243 0.477 -14.347 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.817 -1.278 -16.393 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.541 -0.993 -16.256 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.517 -2.069 -13.972 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.804 -2.390 -14.155 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.421 -2.688 -16.573 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.132 -4.407 -16.857 1.00 0.00 H new ATOM 751 N GLY A 49 1.994 2.539 -15.370 1.00 0.00 N ATOM 752 CA GLY A 49 1.654 3.692 -16.202 1.00 0.00 C ATOM 753 C GLY A 49 2.347 4.962 -15.716 1.00 0.00 C ATOM 754 O GLY A 49 2.096 6.048 -16.239 1.00 0.00 O ATOM 0 H GLY A 49 2.236 2.767 -14.406 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.941 3.493 -17.235 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.574 3.841 -16.194 1.00 0.00 H new ATOM 758 N VAL A 50 3.223 4.829 -14.719 1.00 0.00 N ATOM 759 CA VAL A 50 3.948 5.986 -14.179 1.00 0.00 C ATOM 760 C VAL A 50 5.437 5.652 -14.025 1.00 0.00 C ATOM 761 O VAL A 50 5.851 4.517 -14.264 1.00 0.00 O ATOM 762 CB VAL A 50 3.306 6.405 -12.825 1.00 0.00 C ATOM 763 CG1 VAL A 50 4.054 5.794 -11.628 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.312 7.935 -12.685 1.00 0.00 C ATOM 0 H VAL A 50 3.448 3.941 -14.271 1.00 0.00 H new ATOM 0 HA VAL A 50 3.874 6.828 -14.868 1.00 0.00 H new ATOM 0 HB VAL A 50 2.282 6.032 -12.824 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.576 6.110 -10.701 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.027 4.707 -11.699 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.090 6.132 -11.635 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.860 8.215 -11.733 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.339 8.300 -12.720 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.742 8.377 -13.502 1.00 0.00 H new ATOM 774 N SER A 51 6.234 6.640 -13.618 1.00 0.00 N ATOM 775 CA SER A 51 7.675 6.445 -13.421 1.00 0.00 C ATOM 776 C SER A 51 7.995 6.634 -11.948 1.00 0.00 C ATOM 777 O SER A 51 7.170 7.163 -11.218 1.00 0.00 O ATOM 778 CB SER A 51 8.459 7.461 -14.252 1.00 0.00 C ATOM 779 OG SER A 51 7.950 7.472 -15.579 1.00 0.00 O ATOM 0 H SER A 51 5.908 7.585 -13.417 1.00 0.00 H new ATOM 0 HA SER A 51 7.957 5.441 -13.739 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.375 8.453 -13.809 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.518 7.204 -14.258 1.00 0.00 H new ATOM 0 HG SER A 51 8.449 8.123 -16.115 1.00 0.00 H new ATOM 785 N VAL A 52 9.186 6.215 -11.515 1.00 0.00 N ATOM 786 CA VAL A 52 9.564 6.359 -10.104 1.00 0.00 C ATOM 787 C VAL A 52 9.499 7.829 -9.655 1.00 0.00 C ATOM 788 O VAL A 52 8.938 8.140 -8.605 1.00 0.00 O ATOM 789 CB VAL A 52 10.982 5.778 -9.867 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.671 6.474 -8.676 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.883 4.273 -9.574 1.00 0.00 C ATOM 0 H VAL A 52 9.895 5.781 -12.107 1.00 0.00 H new ATOM 0 HA VAL A 52 8.849 5.797 -9.503 1.00 0.00 H new ATOM 0 HB VAL A 52 11.573 5.948 -10.767 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.664 6.048 -8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.760 7.541 -8.880 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.077 6.325 -7.774 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.881 3.868 -9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.275 4.115 -8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.423 3.767 -10.422 1.00 0.00 H new ATOM 801 N THR A 53 10.101 8.720 -10.431 1.00 0.00 N ATOM 802 CA THR A 53 10.124 10.137 -10.074 1.00 0.00 C ATOM 803 C THR A 53 8.718 10.671 -9.800 1.00 0.00 C ATOM 804 O THR A 53 8.558 11.661 -9.099 1.00 0.00 O ATOM 805 CB THR A 53 10.776 10.944 -11.207 1.00 0.00 C ATOM 806 OG1 THR A 53 12.185 10.773 -11.154 1.00 0.00 O ATOM 807 CG2 THR A 53 10.434 12.433 -11.058 1.00 0.00 C ATOM 0 H THR A 53 10.577 8.493 -11.304 1.00 0.00 H new ATOM 0 HA THR A 53 10.707 10.245 -9.159 1.00 0.00 H new ATOM 0 HB THR A 53 10.397 10.588 -12.165 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.604 11.285 -11.877 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.901 12.996 -11.866 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.353 12.564 -11.102 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.805 12.797 -10.100 1.00 0.00 H new ATOM 815 N ASP A 54 7.711 10.038 -10.367 1.00 0.00 N ATOM 816 CA ASP A 54 6.343 10.495 -10.176 1.00 0.00 C ATOM 817 C ASP A 54 5.834 10.155 -8.777 1.00 0.00 C ATOM 818 O ASP A 54 4.991 10.862 -8.225 1.00 0.00 O ATOM 819 CB ASP A 54 5.435 9.847 -11.219 1.00 0.00 C ATOM 820 CG ASP A 54 4.100 10.583 -11.280 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.695 11.121 -10.263 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.503 10.597 -12.344 1.00 0.00 O ATOM 0 H ASP A 54 7.809 9.213 -10.959 1.00 0.00 H new ATOM 0 HA ASP A 54 6.329 11.579 -10.291 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.917 9.870 -12.196 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.270 8.799 -10.969 1.00 0.00 H new ATOM 827 N LEU A 55 6.320 9.050 -8.228 1.00 0.00 N ATOM 828 CA LEU A 55 5.878 8.596 -6.907 1.00 0.00 C ATOM 829 C LEU A 55 6.296 9.558 -5.794 1.00 0.00 C ATOM 830 O LEU A 55 5.446 10.103 -5.096 1.00 0.00 O ATOM 831 CB LEU A 55 6.451 7.204 -6.591 1.00 0.00 C ATOM 832 CG LEU A 55 5.808 6.130 -7.488 1.00 0.00 C ATOM 833 CD1 LEU A 55 6.071 6.455 -8.956 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.430 4.769 -7.153 1.00 0.00 C ATOM 0 H LEU A 55 7.017 8.451 -8.670 1.00 0.00 H new ATOM 0 HA LEU A 55 4.789 8.557 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.531 7.208 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.274 6.962 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 55 4.732 6.105 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.614 5.692 -9.585 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.642 7.428 -9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.146 6.478 -9.137 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.982 4.000 -7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.504 4.806 -7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.246 4.533 -6.105 1.00 0.00 H new ATOM 846 N LYS A 56 7.604 9.736 -5.609 1.00 0.00 N ATOM 847 CA LYS A 56 8.105 10.606 -4.539 1.00 0.00 C ATOM 848 C LYS A 56 7.543 12.023 -4.607 1.00 0.00 C ATOM 849 O LYS A 56 7.258 12.631 -3.576 1.00 0.00 O ATOM 850 CB LYS A 56 9.625 10.692 -4.608 1.00 0.00 C ATOM 851 CG LYS A 56 10.143 11.495 -3.412 1.00 0.00 C ATOM 852 CD LYS A 56 11.667 11.331 -3.261 1.00 0.00 C ATOM 853 CE LYS A 56 12.352 11.398 -4.630 1.00 0.00 C ATOM 854 NZ LYS A 56 13.821 11.562 -4.448 1.00 0.00 N ATOM 0 H LYS A 56 8.329 9.297 -6.176 1.00 0.00 H new ATOM 0 HA LYS A 56 7.776 10.157 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.058 9.692 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.932 11.167 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.897 12.549 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.645 11.162 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.060 12.114 -2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.890 10.378 -2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.145 10.490 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.952 12.231 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.283 11.607 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.010 12.441 -3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.197 10.753 -3.914 1.00 0.00 H new ATOM 868 N ILE A 57 7.406 12.555 -5.811 1.00 0.00 N ATOM 869 CA ILE A 57 6.899 13.911 -5.971 1.00 0.00 C ATOM 870 C ILE A 57 5.401 13.953 -5.703 1.00 0.00 C ATOM 871 O ILE A 57 4.856 14.989 -5.339 1.00 0.00 O ATOM 872 CB ILE A 57 7.213 14.430 -7.384 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.378 13.655 -8.414 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.710 14.224 -7.659 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.748 14.083 -9.842 1.00 0.00 C ATOM 0 H ILE A 57 7.635 12.077 -6.682 1.00 0.00 H new ATOM 0 HA ILE A 57 7.393 14.559 -5.247 1.00 0.00 H new ATOM 0 HB ILE A 57 6.967 15.489 -7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.545 12.585 -8.295 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.317 13.833 -8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.950 14.587 -8.658 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.294 14.775 -6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.950 13.163 -7.592 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.146 13.523 -10.557 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.557 15.149 -9.963 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.804 13.881 -10.020 1.00 0.00 H new ATOM 887 N GLY A 58 4.743 12.817 -5.889 1.00 0.00 N ATOM 888 CA GLY A 58 3.305 12.732 -5.672 1.00 0.00 C ATOM 889 C GLY A 58 2.925 13.060 -4.229 1.00 0.00 C ATOM 890 O GLY A 58 1.851 13.607 -3.978 1.00 0.00 O ATOM 0 H GLY A 58 5.179 11.945 -6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.795 13.420 -6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.960 11.728 -5.919 1.00 0.00 H new ATOM 894 N LEU A 59 3.794 12.714 -3.278 1.00 0.00 N ATOM 895 CA LEU A 59 3.502 12.973 -1.868 1.00 0.00 C ATOM 896 C LEU A 59 3.792 14.424 -1.500 1.00 0.00 C ATOM 897 O LEU A 59 2.902 15.124 -1.016 1.00 0.00 O ATOM 898 CB LEU A 59 4.305 12.037 -0.954 1.00 0.00 C ATOM 899 CG LEU A 59 3.996 10.555 -1.258 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.480 10.300 -1.215 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.554 10.157 -2.639 1.00 0.00 C ATOM 0 H LEU A 59 4.691 12.261 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 59 2.439 12.781 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.371 12.223 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.070 12.253 0.088 1.00 0.00 H new ATOM 0 HG LEU A 59 4.478 9.945 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.281 9.250 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.098 10.545 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.985 10.924 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.326 9.109 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.096 10.778 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.634 10.302 -2.650 1.00 0.00 H new ATOM 913 N ALA A 60 5.018 14.894 -1.726 1.00 0.00 N ATOM 914 CA ALA A 60 5.343 16.279 -1.398 1.00 0.00 C ATOM 915 C ALA A 60 4.717 17.214 -2.431 1.00 0.00 C ATOM 916 O ALA A 60 4.356 18.347 -2.113 1.00 0.00 O ATOM 917 CB ALA A 60 6.875 16.474 -1.343 1.00 0.00 C ATOM 0 H ALA A 60 5.784 14.352 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 60 4.936 16.518 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.101 17.512 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.298 15.820 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.308 16.228 -2.313 1.00 0.00 H new ATOM 923 N GLY A 61 4.578 16.732 -3.666 1.00 0.00 N ATOM 924 CA GLY A 61 3.976 17.549 -4.719 1.00 0.00 C ATOM 925 C GLY A 61 4.983 18.520 -5.326 1.00 0.00 C ATOM 926 O GLY A 61 4.725 19.108 -6.376 1.00 0.00 O ATOM 0 H GLY A 61 4.868 15.799 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.579 16.901 -5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.134 18.107 -4.310 1.00 0.00 H new ATOM 930 N SER A 62 6.127 18.698 -4.659 1.00 0.00 N ATOM 931 CA SER A 62 7.161 19.621 -5.143 1.00 0.00 C ATOM 932 C SER A 62 8.488 18.899 -5.369 1.00 0.00 C ATOM 933 O SER A 62 9.214 18.598 -4.421 1.00 0.00 O ATOM 934 CB SER A 62 7.355 20.755 -4.126 1.00 0.00 C ATOM 935 OG SER A 62 7.252 20.226 -2.811 1.00 0.00 O ATOM 0 H SER A 62 6.361 18.220 -3.789 1.00 0.00 H new ATOM 0 HA SER A 62 6.832 20.031 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.329 21.223 -4.267 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.604 21.530 -4.279 1.00 0.00 H new ATOM 0 HG SER A 62 7.217 20.962 -2.164 1.00 0.00 H new ATOM 941 N GLU A 63 8.802 18.641 -6.636 1.00 0.00 N ATOM 942 CA GLU A 63 10.048 17.977 -6.994 1.00 0.00 C ATOM 943 C GLU A 63 11.246 18.768 -6.476 1.00 0.00 C ATOM 944 O GLU A 63 12.395 18.373 -6.673 1.00 0.00 O ATOM 945 CB GLU A 63 10.144 17.827 -8.518 1.00 0.00 C ATOM 946 CG GLU A 63 10.007 19.199 -9.200 1.00 0.00 C ATOM 947 CD GLU A 63 11.351 19.922 -9.214 1.00 0.00 C ATOM 948 OE1 GLU A 63 12.113 19.695 -10.139 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.597 20.692 -8.300 1.00 0.00 O ATOM 0 H GLU A 63 8.209 18.882 -7.430 1.00 0.00 H new ATOM 0 HA GLU A 63 10.057 16.989 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.098 17.374 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.362 17.157 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.645 19.071 -10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.268 19.802 -8.673 1.00 0.00 H new ATOM 956 N GLU A 64 10.970 19.890 -5.810 1.00 0.00 N ATOM 957 CA GLU A 64 12.031 20.737 -5.263 1.00 0.00 C ATOM 958 C GLU A 64 12.282 20.424 -3.787 1.00 0.00 C ATOM 959 O GLU A 64 13.428 20.397 -3.341 1.00 0.00 O ATOM 960 CB GLU A 64 11.636 22.210 -5.410 1.00 0.00 C ATOM 961 CG GLU A 64 12.824 23.104 -5.041 1.00 0.00 C ATOM 962 CD GLU A 64 12.406 24.570 -5.080 1.00 0.00 C ATOM 963 OE1 GLU A 64 11.698 24.941 -6.002 1.00 0.00 O ATOM 964 OE2 GLU A 64 12.801 25.303 -4.188 1.00 0.00 O ATOM 0 H GLU A 64 10.025 20.232 -5.637 1.00 0.00 H new ATOM 0 HA GLU A 64 12.948 20.538 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.322 22.411 -6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.786 22.434 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.187 22.847 -4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.647 22.934 -5.735 1.00 0.00 H new ATOM 971 N ASP A 65 11.206 20.218 -3.025 1.00 0.00 N ATOM 972 CA ASP A 65 11.325 19.945 -1.589 1.00 0.00 C ATOM 973 C ASP A 65 11.425 18.449 -1.288 1.00 0.00 C ATOM 974 O ASP A 65 11.737 18.061 -0.162 1.00 0.00 O ATOM 975 CB ASP A 65 10.100 20.518 -0.872 1.00 0.00 C ATOM 976 CG ASP A 65 10.173 22.041 -0.859 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.946 22.583 -1.631 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.454 22.643 -0.079 1.00 0.00 O ATOM 0 H ASP A 65 10.248 20.234 -3.374 1.00 0.00 H new ATOM 0 HA ASP A 65 12.243 20.415 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.189 20.193 -1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.054 20.138 0.149 1.00 0.00 H new ATOM 983 N VAL A 66 11.148 17.615 -2.278 1.00 0.00 N ATOM 984 CA VAL A 66 11.203 16.173 -2.077 1.00 0.00 C ATOM 985 C VAL A 66 12.563 15.742 -1.534 1.00 0.00 C ATOM 986 O VAL A 66 12.695 14.681 -0.929 1.00 0.00 O ATOM 987 CB VAL A 66 10.919 15.445 -3.392 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.429 15.596 -3.769 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.796 16.030 -4.501 1.00 0.00 C ATOM 0 H VAL A 66 10.885 17.906 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 66 10.441 15.909 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 66 11.147 14.386 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.236 15.075 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.809 15.168 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.188 16.653 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.593 15.511 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.574 17.091 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.846 15.906 -4.238 1.00 0.00 H new ATOM 999 N ASP A 67 13.576 16.563 -1.747 1.00 0.00 N ATOM 1000 CA ASP A 67 14.905 16.227 -1.257 1.00 0.00 C ATOM 1001 C ASP A 67 14.871 16.021 0.256 1.00 0.00 C ATOM 1002 O ASP A 67 15.763 15.397 0.828 1.00 0.00 O ATOM 1003 CB ASP A 67 15.898 17.338 -1.599 1.00 0.00 C ATOM 1004 CG ASP A 67 17.292 16.954 -1.112 1.00 0.00 C ATOM 1005 OD1 ASP A 67 17.481 16.896 0.091 1.00 0.00 O ATOM 1006 OD2 ASP A 67 18.149 16.723 -1.950 1.00 0.00 O ATOM 0 H ASP A 67 13.510 17.450 -2.246 1.00 0.00 H new ATOM 0 HA ASP A 67 15.226 15.304 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.913 17.506 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.585 18.273 -1.134 1.00 0.00 H new ATOM 1011 N MET A 68 13.832 16.559 0.901 1.00 0.00 N ATOM 1012 CA MET A 68 13.681 16.442 2.355 1.00 0.00 C ATOM 1013 C MET A 68 12.549 15.483 2.727 1.00 0.00 C ATOM 1014 O MET A 68 12.336 15.198 3.906 1.00 0.00 O ATOM 1015 CB MET A 68 13.385 17.820 2.948 1.00 0.00 C ATOM 1016 CG MET A 68 14.498 18.795 2.555 1.00 0.00 C ATOM 1017 SD MET A 68 14.162 20.416 3.288 1.00 0.00 S ATOM 1018 CE MET A 68 14.870 21.425 1.962 1.00 0.00 C ATOM 0 H MET A 68 13.084 17.079 0.441 1.00 0.00 H new ATOM 0 HA MET A 68 14.612 16.045 2.759 1.00 0.00 H new ATOM 0 HB2 MET A 68 12.423 18.184 2.586 1.00 0.00 H new ATOM 0 HB3 MET A 68 13.313 17.753 4.033 1.00 0.00 H new ATOM 0 HG2 MET A 68 15.463 18.421 2.898 1.00 0.00 H new ATOM 0 HG3 MET A 68 14.557 18.879 1.470 1.00 0.00 H new ATOM 0 HE1 MET A 68 14.767 22.481 2.214 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.926 21.181 1.843 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.344 21.222 1.029 1.00 0.00 H new ATOM 1028 N LEU A 69 11.817 14.993 1.729 1.00 0.00 N ATOM 1029 CA LEU A 69 10.706 14.077 1.997 1.00 0.00 C ATOM 1030 C LEU A 69 11.156 12.959 2.938 1.00 0.00 C ATOM 1031 O LEU A 69 12.323 12.568 2.937 1.00 0.00 O ATOM 1032 CB LEU A 69 10.183 13.467 0.668 1.00 0.00 C ATOM 1033 CG LEU A 69 8.665 13.668 0.507 1.00 0.00 C ATOM 1034 CD1 LEU A 69 8.221 13.080 -0.838 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.899 12.971 1.643 1.00 0.00 C ATOM 0 H LEU A 69 11.967 15.209 0.743 1.00 0.00 H new ATOM 0 HA LEU A 69 9.901 14.637 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.702 13.927 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.414 12.402 0.641 1.00 0.00 H new ATOM 0 HG LEU A 69 8.446 14.735 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.147 13.219 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.746 13.587 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.455 12.016 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.829 13.126 1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.116 11.903 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.209 13.389 2.601 1.00 0.00 H new ATOM 1047 N ASP A 70 10.219 12.434 3.720 1.00 0.00 N ATOM 1048 CA ASP A 70 10.534 11.347 4.634 1.00 0.00 C ATOM 1049 C ASP A 70 10.866 10.097 3.826 1.00 0.00 C ATOM 1050 O ASP A 70 11.778 9.344 4.163 1.00 0.00 O ATOM 1051 CB ASP A 70 9.341 11.076 5.558 1.00 0.00 C ATOM 1052 CG ASP A 70 9.790 10.300 6.792 1.00 0.00 C ATOM 1053 OD1 ASP A 70 9.935 9.093 6.689 1.00 0.00 O ATOM 1054 OD2 ASP A 70 9.982 10.924 7.823 1.00 0.00 O ATOM 0 H ASP A 70 9.246 12.740 3.739 1.00 0.00 H new ATOM 0 HA ASP A 70 11.392 11.622 5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.885 12.019 5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.579 10.510 5.022 1.00 0.00 H new ATOM 1059 N THR A 71 10.111 9.899 2.747 1.00 0.00 N ATOM 1060 CA THR A 71 10.310 8.754 1.867 1.00 0.00 C ATOM 1061 C THR A 71 11.718 8.781 1.251 1.00 0.00 C ATOM 1062 O THR A 71 12.010 9.665 0.447 1.00 0.00 O ATOM 1063 CB THR A 71 9.277 8.805 0.737 1.00 0.00 C ATOM 1064 OG1 THR A 71 7.972 8.699 1.289 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.518 7.650 -0.235 1.00 0.00 C ATOM 0 H THR A 71 9.354 10.520 2.462 1.00 0.00 H new ATOM 0 HA THR A 71 10.195 7.841 2.451 1.00 0.00 H new ATOM 0 HB THR A 71 9.372 9.749 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.306 8.844 0.585 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.781 7.690 -1.037 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.519 7.733 -0.658 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.426 6.702 0.296 1.00 0.00 H new ATOM 1073 N PRO A 72 12.595 7.850 1.583 1.00 0.00 N ATOM 1074 CA PRO A 72 13.970 7.826 0.999 1.00 0.00 C ATOM 1075 C PRO A 72 13.947 7.891 -0.530 1.00 0.00 C ATOM 1076 O PRO A 72 12.927 8.210 -1.138 1.00 0.00 O ATOM 1077 CB PRO A 72 14.560 6.486 1.476 1.00 0.00 C ATOM 1078 CG PRO A 72 13.784 6.123 2.703 1.00 0.00 C ATOM 1079 CD PRO A 72 12.391 6.739 2.538 1.00 0.00 C ATOM 0 HA PRO A 72 14.557 8.688 1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.462 5.718 0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.623 6.582 1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.718 5.041 2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.273 6.506 3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.677 6.011 2.154 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.000 7.099 3.490 1.00 0.00 H new ATOM 1087 N MET A 73 15.084 7.565 -1.139 1.00 0.00 N ATOM 1088 CA MET A 73 15.213 7.563 -2.596 1.00 0.00 C ATOM 1089 C MET A 73 15.222 6.133 -3.106 1.00 0.00 C ATOM 1090 O MET A 73 15.035 5.875 -4.295 1.00 0.00 O ATOM 1091 CB MET A 73 16.517 8.249 -3.000 1.00 0.00 C ATOM 1092 CG MET A 73 17.711 7.342 -2.685 1.00 0.00 C ATOM 1093 SD MET A 73 19.227 8.330 -2.655 1.00 0.00 S ATOM 1094 CE MET A 73 20.367 6.989 -2.235 1.00 0.00 C ATOM 0 H MET A 73 15.935 7.297 -0.644 1.00 0.00 H new ATOM 0 HA MET A 73 14.369 8.101 -3.029 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.499 8.482 -4.065 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.619 9.195 -2.468 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.565 6.851 -1.723 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.792 6.555 -3.435 1.00 0.00 H new ATOM 0 HE1 MET A 73 21.381 7.382 -2.164 1.00 0.00 H new ATOM 0 HE2 MET A 73 20.079 6.553 -1.278 1.00 0.00 H new ATOM 0 HE3 MET A 73 20.329 6.223 -3.009 1.00 0.00 H new ATOM 1104 N SER A 74 15.447 5.211 -2.183 1.00 0.00 N ATOM 1105 CA SER A 74 15.489 3.788 -2.504 1.00 0.00 C ATOM 1106 C SER A 74 14.137 3.142 -2.217 1.00 0.00 C ATOM 1107 O SER A 74 13.833 2.064 -2.728 1.00 0.00 O ATOM 1108 CB SER A 74 16.567 3.104 -1.665 1.00 0.00 C ATOM 1109 OG SER A 74 17.834 3.660 -1.990 1.00 0.00 O ATOM 0 H SER A 74 15.605 5.422 -1.198 1.00 0.00 H new ATOM 0 HA SER A 74 15.721 3.673 -3.563 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.359 3.239 -0.604 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.567 2.031 -1.856 1.00 0.00 H new ATOM 0 HG SER A 74 18.529 3.226 -1.453 1.00 0.00 H new ATOM 1115 N ALA A 75 13.326 3.807 -1.396 1.00 0.00 N ATOM 1116 CA ALA A 75 12.015 3.286 -1.056 1.00 0.00 C ATOM 1117 C ALA A 75 11.114 3.298 -2.280 1.00 0.00 C ATOM 1118 O ALA A 75 10.240 2.447 -2.426 1.00 0.00 O ATOM 1119 CB ALA A 75 11.400 4.127 0.059 1.00 0.00 C ATOM 0 H ALA A 75 13.556 4.700 -0.960 1.00 0.00 H new ATOM 0 HA ALA A 75 12.118 2.258 -0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.416 3.733 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.042 4.090 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.302 5.160 -0.276 1.00 0.00 H new ATOM 1125 N LEU A 76 11.333 4.258 -3.172 1.00 0.00 N ATOM 1126 CA LEU A 76 10.520 4.318 -4.375 1.00 0.00 C ATOM 1127 C LEU A 76 10.788 3.071 -5.203 1.00 0.00 C ATOM 1128 O LEU A 76 9.864 2.379 -5.632 1.00 0.00 O ATOM 1129 CB LEU A 76 10.844 5.541 -5.234 1.00 0.00 C ATOM 1130 CG LEU A 76 10.742 6.855 -4.442 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.452 6.887 -3.623 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.948 7.044 -3.508 1.00 0.00 C ATOM 0 H LEU A 76 12.045 4.984 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 76 9.476 4.386 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.851 5.441 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.161 5.577 -6.083 1.00 0.00 H new ATOM 0 HG LEU A 76 10.734 7.672 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.396 7.824 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.595 6.809 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.444 6.051 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.843 7.983 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.993 6.217 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.865 7.067 -4.097 1.00 0.00 H new ATOM 1144 N LYS A 77 12.071 2.791 -5.411 1.00 0.00 N ATOM 1145 CA LYS A 77 12.476 1.623 -6.175 1.00 0.00 C ATOM 1146 C LYS A 77 11.836 0.374 -5.576 1.00 0.00 C ATOM 1147 O LYS A 77 11.501 -0.571 -6.289 1.00 0.00 O ATOM 1148 CB LYS A 77 14.003 1.475 -6.148 1.00 0.00 C ATOM 1149 CG LYS A 77 14.659 2.536 -7.046 1.00 0.00 C ATOM 1150 CD LYS A 77 14.379 3.946 -6.494 1.00 0.00 C ATOM 1151 CE LYS A 77 15.469 4.925 -6.950 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.878 4.607 -8.348 1.00 0.00 N ATOM 0 H LYS A 77 12.844 3.357 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 77 12.148 1.746 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.367 1.579 -5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.284 0.478 -6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.734 2.365 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.273 2.452 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.404 4.291 -6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.340 3.916 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.099 5.949 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.330 4.860 -6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.296 5.451 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.579 3.839 -8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.045 4.309 -8.894 1.00 0.00 H new ATOM 1166 N ASP A 78 11.673 0.382 -4.254 1.00 0.00 N ATOM 1167 CA ASP A 78 11.074 -0.746 -3.559 1.00 0.00 C ATOM 1168 C ASP A 78 9.580 -0.798 -3.852 1.00 0.00 C ATOM 1169 O ASP A 78 9.075 -1.785 -4.385 1.00 0.00 O ATOM 1170 CB ASP A 78 11.309 -0.604 -2.048 1.00 0.00 C ATOM 1171 CG ASP A 78 12.735 -1.016 -1.699 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.516 -1.212 -2.615 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.027 -1.127 -0.519 1.00 0.00 O ATOM 0 H ASP A 78 11.947 1.156 -3.649 1.00 0.00 H new ATOM 0 HA ASP A 78 11.535 -1.671 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.134 0.427 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.599 -1.225 -1.502 1.00 0.00 H new ATOM 1178 N ALA A 79 8.878 0.267 -3.494 1.00 0.00 N ATOM 1179 CA ALA A 79 7.440 0.336 -3.716 1.00 0.00 C ATOM 1180 C ALA A 79 7.095 0.142 -5.193 1.00 0.00 C ATOM 1181 O ALA A 79 6.406 -0.813 -5.553 1.00 0.00 O ATOM 1182 CB ALA A 79 6.916 1.690 -3.239 1.00 0.00 C ATOM 0 H ALA A 79 9.279 1.093 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 79 6.968 -0.467 -3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.840 1.743 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.126 1.807 -2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.408 2.487 -3.796 1.00 0.00 H new ATOM 1188 N VAL A 80 7.555 1.069 -6.039 1.00 0.00 N ATOM 1189 CA VAL A 80 7.272 1.013 -7.480 1.00 0.00 C ATOM 1190 C VAL A 80 7.230 -0.428 -7.994 1.00 0.00 C ATOM 1191 O VAL A 80 6.547 -0.731 -8.972 1.00 0.00 O ATOM 1192 CB VAL A 80 8.322 1.813 -8.256 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.579 0.965 -8.471 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.747 2.228 -9.621 1.00 0.00 C ATOM 0 H VAL A 80 8.124 1.866 -5.754 1.00 0.00 H new ATOM 0 HA VAL A 80 6.288 1.454 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 80 8.585 2.701 -7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.319 1.544 -9.024 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.993 0.676 -7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.322 0.070 -9.038 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.495 2.797 -10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.478 1.337 -10.188 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.860 2.844 -9.470 1.00 0.00 H new ATOM 1204 N ARG A 81 7.970 -1.304 -7.326 1.00 0.00 N ATOM 1205 CA ARG A 81 8.022 -2.709 -7.720 1.00 0.00 C ATOM 1206 C ARG A 81 6.756 -3.430 -7.283 1.00 0.00 C ATOM 1207 O ARG A 81 6.027 -4.001 -8.095 1.00 0.00 O ATOM 1208 CB ARG A 81 9.233 -3.388 -7.074 1.00 0.00 C ATOM 1209 CG ARG A 81 9.411 -4.797 -7.656 1.00 0.00 C ATOM 1210 CD ARG A 81 10.496 -5.546 -6.878 1.00 0.00 C ATOM 1211 NE ARG A 81 11.815 -5.066 -7.267 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.327 -5.361 -8.457 1.00 0.00 C ATOM 1213 NH1 ARG A 81 11.645 -6.095 -9.293 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.508 -4.916 -8.790 1.00 0.00 N ATOM 0 H ARG A 81 8.540 -1.070 -6.513 1.00 0.00 H new ATOM 0 HA ARG A 81 8.107 -2.759 -8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.131 -2.796 -7.251 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.096 -3.445 -5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.470 -5.344 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.684 -4.734 -8.709 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.350 -5.403 -5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.419 -6.616 -7.071 1.00 0.00 H new ATOM 0 HE ARG A 81 12.354 -4.495 -6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.721 -6.441 -9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.035 -6.323 -10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.039 -4.341 -8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.900 -5.143 -9.704 1.00 0.00 H new ATOM 1228 N ILE A 82 6.528 -3.426 -5.982 1.00 0.00 N ATOM 1229 CA ILE A 82 5.381 -4.105 -5.408 1.00 0.00 C ATOM 1230 C ILE A 82 4.097 -3.858 -6.216 1.00 0.00 C ATOM 1231 O ILE A 82 3.335 -4.797 -6.444 1.00 0.00 O ATOM 1232 CB ILE A 82 5.214 -3.677 -3.941 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.250 -4.423 -3.084 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.805 -4.017 -3.445 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.271 -3.848 -1.669 1.00 0.00 C ATOM 0 H ILE A 82 7.125 -2.958 -5.300 1.00 0.00 H new ATOM 0 HA ILE A 82 5.563 -5.179 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 82 5.364 -2.600 -3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.008 -5.485 -3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.238 -4.335 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.701 -3.708 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.069 -3.493 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.641 -5.092 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.008 -4.383 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.535 -2.791 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.286 -3.959 -1.216 1.00 0.00 H new ATOM 1247 N LEU A 83 3.841 -2.621 -6.655 1.00 0.00 N ATOM 1248 CA LEU A 83 2.617 -2.376 -7.431 1.00 0.00 C ATOM 1249 C LEU A 83 2.797 -2.885 -8.858 1.00 0.00 C ATOM 1250 O LEU A 83 1.846 -3.375 -9.467 1.00 0.00 O ATOM 1251 CB LEU A 83 2.166 -0.879 -7.472 1.00 0.00 C ATOM 1252 CG LEU A 83 2.851 -0.011 -6.403 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.922 -0.718 -5.038 1.00 0.00 C ATOM 1254 CD2 LEU A 83 4.229 0.385 -6.886 1.00 0.00 C ATOM 0 H LEU A 83 4.434 -1.806 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 83 1.827 -2.921 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.382 -0.468 -8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.086 -0.828 -7.335 1.00 0.00 H new ATOM 0 HG LEU A 83 2.249 0.885 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.414 -0.066 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.913 -0.946 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.489 -1.643 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.717 1.000 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.824 -0.511 -7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.141 0.951 -7.813 1.00 0.00 H new ATOM 1266 N TRP A 84 4.012 -2.781 -9.393 1.00 0.00 N ATOM 1267 CA TRP A 84 4.261 -3.256 -10.755 1.00 0.00 C ATOM 1268 C TRP A 84 3.781 -4.703 -10.892 1.00 0.00 C ATOM 1269 O TRP A 84 3.593 -5.204 -12.000 1.00 0.00 O ATOM 1270 CB TRP A 84 5.777 -3.166 -11.067 1.00 0.00 C ATOM 1271 CG TRP A 84 6.082 -2.075 -12.054 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.997 -2.176 -13.045 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.514 -0.736 -12.159 1.00 0.00 C ATOM 1274 NE1 TRP A 84 7.029 -0.989 -13.751 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.133 -0.071 -13.246 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.533 -0.036 -11.429 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.794 1.235 -13.595 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.189 1.279 -11.783 1.00 0.00 C ATOM 1279 CH2 TRP A 84 4.819 1.912 -12.864 1.00 0.00 C ATOM 0 H TRP A 84 4.823 -2.382 -8.919 1.00 0.00 H new ATOM 0 HA TRP A 84 3.714 -2.633 -11.463 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.327 -2.985 -10.144 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.124 -4.121 -11.463 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.605 -3.045 -13.251 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.641 -0.813 -14.548 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.043 -0.513 -10.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.284 1.720 -14.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 3.434 1.806 -11.219 1.00 0.00 H new ATOM 0 HH2 TRP A 84 4.549 2.923 -13.130 1.00 0.00 H new ATOM 1290 N GLY A 85 3.599 -5.369 -9.755 1.00 0.00 N ATOM 1291 CA GLY A 85 3.157 -6.760 -9.756 1.00 0.00 C ATOM 1292 C GLY A 85 4.349 -7.696 -9.902 1.00 0.00 C ATOM 1293 O GLY A 85 4.191 -8.882 -10.187 1.00 0.00 O ATOM 0 H GLY A 85 3.749 -4.972 -8.828 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.625 -6.980 -8.830 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.455 -6.925 -10.574 1.00 0.00 H new ATOM 1297 N GLU A 86 5.546 -7.148 -9.696 1.00 0.00 N ATOM 1298 CA GLU A 86 6.779 -7.930 -9.795 1.00 0.00 C ATOM 1299 C GLU A 86 7.281 -8.268 -8.401 1.00 0.00 C ATOM 1300 O GLU A 86 8.326 -8.898 -8.239 1.00 0.00 O ATOM 1301 CB GLU A 86 7.849 -7.129 -10.544 1.00 0.00 C ATOM 1302 CG GLU A 86 7.399 -6.895 -11.988 1.00 0.00 C ATOM 1303 CD GLU A 86 7.356 -8.220 -12.744 1.00 0.00 C ATOM 1304 OE1 GLU A 86 8.055 -9.133 -12.338 1.00 0.00 O ATOM 1305 OE2 GLU A 86 6.625 -8.301 -13.716 1.00 0.00 O ATOM 0 H GLU A 86 5.689 -6.166 -9.460 1.00 0.00 H new ATOM 0 HA GLU A 86 6.574 -8.850 -10.342 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.018 -6.174 -10.046 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.797 -7.668 -10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.414 -6.429 -11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.083 -6.206 -12.484 1.00 0.00 H new ATOM 1312 N ALA A 87 6.519 -7.838 -7.395 1.00 0.00 N ATOM 1313 CA ALA A 87 6.874 -8.085 -6.000 1.00 0.00 C ATOM 1314 C ALA A 87 7.512 -9.468 -5.830 1.00 0.00 C ATOM 1315 O ALA A 87 8.437 -9.644 -5.038 1.00 0.00 O ATOM 1316 CB ALA A 87 5.608 -7.973 -5.129 1.00 0.00 C ATOM 0 H ALA A 87 5.652 -7.317 -7.522 1.00 0.00 H new ATOM 0 HA ALA A 87 7.605 -7.340 -5.686 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.866 -8.156 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.186 -6.973 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.875 -8.710 -5.456 1.00 0.00 H new ATOM 1322 N GLU A 88 7.006 -10.440 -6.583 1.00 0.00 N ATOM 1323 CA GLU A 88 7.526 -11.801 -6.512 1.00 0.00 C ATOM 1324 C GLU A 88 8.947 -11.863 -7.057 1.00 0.00 C ATOM 1325 O GLU A 88 9.188 -12.412 -8.131 1.00 0.00 O ATOM 1326 CB GLU A 88 6.626 -12.741 -7.312 1.00 0.00 C ATOM 1327 CG GLU A 88 5.257 -12.812 -6.638 1.00 0.00 C ATOM 1328 CD GLU A 88 4.265 -13.537 -7.541 1.00 0.00 C ATOM 1329 OE1 GLU A 88 3.825 -12.934 -8.507 1.00 0.00 O ATOM 1330 OE2 GLU A 88 3.959 -14.681 -7.254 1.00 0.00 O ATOM 0 H GLU A 88 6.241 -10.312 -7.245 1.00 0.00 H new ATOM 0 HA GLU A 88 7.540 -12.112 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.523 -12.383 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.072 -13.734 -7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.339 -13.332 -5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.897 -11.806 -6.423 1.00 0.00 H new ATOM 1337 N VAL A 89 9.882 -11.295 -6.307 1.00 0.00 N ATOM 1338 CA VAL A 89 11.280 -11.287 -6.720 1.00 0.00 C ATOM 1339 C VAL A 89 11.938 -12.629 -6.416 1.00 0.00 C ATOM 1340 O VAL A 89 11.753 -13.193 -5.337 1.00 0.00 O ATOM 1341 CB VAL A 89 12.035 -10.168 -5.998 1.00 0.00 C ATOM 1342 CG1 VAL A 89 11.986 -10.404 -4.488 1.00 0.00 C ATOM 1343 CG2 VAL A 89 13.492 -10.156 -6.463 1.00 0.00 C ATOM 0 H VAL A 89 9.700 -10.836 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 89 11.319 -11.113 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 89 11.569 -9.210 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.524 -9.606 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.948 -10.413 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.450 -11.362 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.031 -9.360 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.955 -11.115 -6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.529 -9.985 -7.539 1.00 0.00 H new ATOM 1353 N ASP A 90 12.704 -13.138 -7.375 1.00 0.00 N ATOM 1354 CA ASP A 90 13.384 -14.414 -7.200 1.00 0.00 C ATOM 1355 C ASP A 90 14.598 -14.253 -6.291 1.00 0.00 C ATOM 1356 O ASP A 90 14.788 -13.204 -5.675 1.00 0.00 O ATOM 1357 CB ASP A 90 13.832 -14.959 -8.558 1.00 0.00 C ATOM 1358 CG ASP A 90 14.684 -13.922 -9.280 1.00 0.00 C ATOM 1359 OD1 ASP A 90 14.382 -12.746 -9.157 1.00 0.00 O ATOM 1360 OD2 ASP A 90 15.628 -14.318 -9.945 1.00 0.00 O ATOM 0 H ASP A 90 12.868 -12.689 -8.276 1.00 0.00 H new ATOM 0 HA ASP A 90 12.688 -15.115 -6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.402 -15.878 -8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.961 -15.211 -9.163 1.00 0.00 H new ATOM 1365 N SER A 91 15.415 -15.296 -6.212 1.00 0.00 N ATOM 1366 CA SER A 91 16.608 -15.257 -5.375 1.00 0.00 C ATOM 1367 C SER A 91 17.684 -14.391 -6.020 1.00 0.00 C ATOM 1368 O SER A 91 17.675 -14.170 -7.231 1.00 0.00 O ATOM 1369 CB SER A 91 17.145 -16.675 -5.170 1.00 0.00 C ATOM 1370 OG SER A 91 18.413 -16.608 -4.530 1.00 0.00 O ATOM 0 H SER A 91 15.275 -16.173 -6.713 1.00 0.00 H new ATOM 0 HA SER A 91 16.341 -14.826 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.449 -17.256 -4.565 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.235 -17.185 -6.129 1.00 0.00 H new ATOM 0 HG SER A 91 18.760 -17.515 -4.395 1.00 0.00 H new ATOM 1376 N LEU A 92 18.612 -13.903 -5.203 1.00 0.00 N ATOM 1377 CA LEU A 92 19.689 -13.063 -5.709 1.00 0.00 C ATOM 1378 C LEU A 92 20.723 -13.926 -6.439 1.00 0.00 C ATOM 1379 O LEU A 92 20.904 -15.094 -6.093 1.00 0.00 O ATOM 1380 CB LEU A 92 20.372 -12.329 -4.546 1.00 0.00 C ATOM 1381 CG LEU A 92 19.464 -11.214 -3.993 1.00 0.00 C ATOM 1382 CD1 LEU A 92 19.253 -10.110 -5.047 1.00 0.00 C ATOM 1383 CD2 LEU A 92 18.110 -11.805 -3.575 1.00 0.00 C ATOM 0 H LEU A 92 18.640 -14.073 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 92 19.270 -12.333 -6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 92 20.610 -13.038 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 92 21.316 -11.901 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 92 19.949 -10.771 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 92 18.609 -9.333 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 92 20.216 -9.677 -5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 92 18.785 -10.538 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.472 -11.012 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 92 17.631 -12.264 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 92 18.265 -12.559 -2.803 1.00 0.00 H new ATOM 1395 N PRO A 93 21.406 -13.394 -7.428 1.00 0.00 N ATOM 1396 CA PRO A 93 22.433 -14.161 -8.185 1.00 0.00 C ATOM 1397 C PRO A 93 23.236 -15.096 -7.284 1.00 0.00 C ATOM 1398 O PRO A 93 23.384 -16.283 -7.576 1.00 0.00 O ATOM 1399 CB PRO A 93 23.318 -13.062 -8.774 1.00 0.00 C ATOM 1400 CG PRO A 93 22.391 -11.906 -9.004 1.00 0.00 C ATOM 1401 CD PRO A 93 21.285 -12.012 -7.938 1.00 0.00 C ATOM 0 HA PRO A 93 21.995 -14.817 -8.938 1.00 0.00 H new ATOM 0 HB2 PRO A 93 24.123 -12.793 -8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 93 23.785 -13.386 -9.704 1.00 0.00 H new ATOM 0 HG2 PRO A 93 22.923 -10.959 -8.917 1.00 0.00 H new ATOM 0 HG3 PRO A 93 21.967 -11.943 -10.008 1.00 0.00 H new ATOM 0 HD2 PRO A 93 21.427 -11.280 -7.143 1.00 0.00 H new ATOM 0 HD3 PRO A 93 20.299 -11.830 -8.367 1.00 0.00 H new ATOM 1409 N GLN A 94 23.755 -14.551 -6.187 1.00 0.00 N ATOM 1410 CA GLN A 94 24.545 -15.340 -5.248 1.00 0.00 C ATOM 1411 C GLN A 94 23.626 -16.133 -4.312 1.00 0.00 C ATOM 1412 O GLN A 94 22.511 -15.697 -4.024 1.00 0.00 O ATOM 1413 CB GLN A 94 25.439 -14.408 -4.425 1.00 0.00 C ATOM 1414 CG GLN A 94 24.628 -13.195 -3.963 1.00 0.00 C ATOM 1415 CD GLN A 94 25.378 -12.460 -2.858 1.00 0.00 C ATOM 1416 OE1 GLN A 94 25.750 -11.299 -3.025 1.00 0.00 O ATOM 1417 NE2 GLN A 94 25.625 -13.072 -1.732 1.00 0.00 N ATOM 0 H GLN A 94 23.643 -13.571 -5.928 1.00 0.00 H new ATOM 0 HA GLN A 94 25.164 -16.042 -5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 94 25.840 -14.940 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 94 26.290 -14.083 -5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 94 24.451 -12.524 -4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 94 23.652 -13.516 -3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 94 25.316 -14.034 -1.596 1.00 0.00 H new ATOM 0 HE22 GLN A 94 26.127 -12.588 -0.988 1.00 0.00 H new ATOM 1426 N PRO A 95 24.062 -17.275 -3.827 1.00 0.00 N ATOM 1427 CA PRO A 95 23.239 -18.111 -2.903 1.00 0.00 C ATOM 1428 C PRO A 95 23.132 -17.480 -1.513 1.00 0.00 C ATOM 1429 O PRO A 95 23.706 -16.422 -1.257 1.00 0.00 O ATOM 1430 CB PRO A 95 23.997 -19.447 -2.856 1.00 0.00 C ATOM 1431 CG PRO A 95 25.421 -19.084 -3.134 1.00 0.00 C ATOM 1432 CD PRO A 95 25.374 -17.897 -4.100 1.00 0.00 C ATOM 0 HA PRO A 95 22.209 -18.220 -3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 95 23.893 -19.927 -1.883 1.00 0.00 H new ATOM 0 HB3 PRO A 95 23.614 -20.146 -3.599 1.00 0.00 H new ATOM 0 HG2 PRO A 95 25.942 -18.818 -2.214 1.00 0.00 H new ATOM 0 HG3 PRO A 95 25.959 -19.924 -3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 95 26.193 -17.201 -3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 95 25.455 -18.222 -5.137 1.00 0.00 H new ATOM 1440 N VAL A 96 22.393 -18.137 -0.625 1.00 0.00 N ATOM 1441 CA VAL A 96 22.220 -17.629 0.731 1.00 0.00 C ATOM 1442 C VAL A 96 23.507 -17.790 1.533 1.00 0.00 C ATOM 1443 O VAL A 96 24.419 -18.425 1.031 1.00 0.00 O ATOM 1444 CB VAL A 96 21.084 -18.380 1.429 1.00 0.00 C ATOM 1445 CG1 VAL A 96 19.817 -18.297 0.576 1.00 0.00 C ATOM 1446 CG2 VAL A 96 21.479 -19.847 1.612 1.00 0.00 C ATOM 1447 OXT VAL A 96 23.561 -17.274 2.637 1.00 0.00 O ATOM 0 H VAL A 96 21.909 -19.014 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 96 21.973 -16.569 0.672 1.00 0.00 H new ATOM 0 HB VAL A 96 20.896 -17.929 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.008 -18.832 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.535 -17.252 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.004 -18.747 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.670 -20.382 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 96 21.667 -20.297 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.382 -19.908 2.220 1.00 0.00 H new TER 1457 VAL A 96