USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 567 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 71 THR OG1 : rot -11:sc= -1.8 USER MOD Set 1.2: A 73 ASN :FLIP amide:sc= -0.451 F(o=-4.3,f=-2.3) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 171:sc= -0.73 (180deg=-1.12!) USER MOD Set 2.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLU N :NH3+ 177:sc= -0.724 (180deg=-1.11) USER MOD Single : A 2 ASN : amide:sc= -2.57! C(o=-2.6!,f=-6.5!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 14 SER OG : rot 100:sc= -0.39! USER MOD Single : A 19 THR OG1 : rot 58:sc= 0.764! USER MOD Single : A 23 ASN :FLIP amide:sc= -1.43 F(o=-2.3,f=-1.4) USER MOD Single : A 28 ASN :FLIP amide:sc= 0.122 F(o=-0.61,f=0.12) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.811! C(o=-0.81!,f=-1.2!) USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= -0.134 (180deg=-0.403) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.057 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -3.79! USER MOD Single : A 45 SER OG : rot 180:sc= -0.307 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -25:sc= 0.0372 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -4.16 X(o=-4.2,f=-4.3!) USER MOD Single : A 61 TYR OH : rot -133:sc= -1.05! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 172:sc=-0.000769 (180deg=-0.156) USER MOD Single : A 70 TYR OH : rot 51:sc= -2.7! USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= -0.167 (180deg=-1.14!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -42.599 -29.463 -15.991 1.00 0.00 N ATOM 2 CA GLU A 1 -42.353 -28.043 -16.384 1.00 0.00 C ATOM 3 C GLU A 1 -40.939 -27.623 -15.968 1.00 0.00 C ATOM 4 O GLU A 1 -40.385 -26.676 -16.495 1.00 0.00 O ATOM 5 CB GLU A 1 -43.381 -27.126 -15.707 1.00 0.00 C ATOM 6 CG GLU A 1 -43.892 -27.768 -14.415 1.00 0.00 C ATOM 7 CD GLU A 1 -44.918 -26.845 -13.758 1.00 0.00 C ATOM 8 OE1 GLU A 1 -45.932 -26.580 -14.383 1.00 0.00 O ATOM 9 OE2 GLU A 1 -44.673 -26.418 -12.642 1.00 0.00 O ATOM 0 H1 GLU A 1 -43.577 -29.725 -16.230 1.00 0.00 H new ATOM 0 H2 GLU A 1 -41.939 -30.084 -16.502 1.00 0.00 H new ATOM 0 H3 GLU A 1 -42.453 -29.570 -14.967 1.00 0.00 H new ATOM 0 HA GLU A 1 -42.451 -27.955 -17.466 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -42.928 -26.159 -15.487 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -44.215 -26.940 -16.384 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -44.344 -28.736 -14.631 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -43.061 -27.949 -13.733 1.00 0.00 H new ATOM 18 N ASN A 2 -40.345 -28.314 -15.032 1.00 0.00 N ATOM 19 CA ASN A 2 -38.966 -27.948 -14.594 1.00 0.00 C ATOM 20 C ASN A 2 -38.978 -26.535 -13.994 1.00 0.00 C ATOM 21 O ASN A 2 -39.839 -25.730 -14.288 1.00 0.00 O ATOM 22 CB ASN A 2 -38.014 -28.033 -15.809 1.00 0.00 C ATOM 23 CG ASN A 2 -37.410 -26.661 -16.149 1.00 0.00 C ATOM 24 OD1 ASN A 2 -36.771 -26.044 -15.320 1.00 0.00 O ATOM 25 ND2 ASN A 2 -37.583 -26.162 -17.342 1.00 0.00 N ATOM 0 H ASN A 2 -40.754 -29.115 -14.552 1.00 0.00 H new ATOM 0 HA ASN A 2 -38.614 -28.638 -13.827 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -37.213 -28.741 -15.596 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -38.558 -28.416 -16.672 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -37.182 -25.254 -17.578 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -38.119 -26.679 -18.038 1.00 0.00 H new ATOM 32 N LYS A 3 -38.022 -26.230 -13.157 1.00 0.00 N ATOM 33 CA LYS A 3 -37.970 -24.873 -12.546 1.00 0.00 C ATOM 34 C LYS A 3 -36.535 -24.560 -12.114 1.00 0.00 C ATOM 35 O LYS A 3 -35.620 -25.319 -12.366 1.00 0.00 O ATOM 36 CB LYS A 3 -38.887 -24.823 -11.324 1.00 0.00 C ATOM 37 CG LYS A 3 -39.759 -23.570 -11.394 1.00 0.00 C ATOM 38 CD LYS A 3 -41.113 -23.924 -12.010 1.00 0.00 C ATOM 39 CE LYS A 3 -41.932 -22.647 -12.202 1.00 0.00 C ATOM 40 NZ LYS A 3 -42.659 -22.715 -13.500 1.00 0.00 N ATOM 0 H LYS A 3 -37.275 -26.863 -12.871 1.00 0.00 H new ATOM 0 HA LYS A 3 -38.300 -24.137 -13.279 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -39.514 -25.714 -11.289 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -38.293 -24.815 -10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -39.899 -23.155 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -39.265 -22.803 -11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -40.970 -24.425 -12.967 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -41.649 -24.619 -11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -42.640 -22.530 -11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -41.277 -21.776 -12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -43.216 -21.847 -13.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -41.974 -22.808 -14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -43.295 -23.538 -13.499 1.00 0.00 H new ATOM 54 N GLU A 4 -36.332 -23.447 -11.462 1.00 0.00 N ATOM 55 CA GLU A 4 -34.960 -23.085 -11.011 1.00 0.00 C ATOM 56 C GLU A 4 -34.902 -23.123 -9.482 1.00 0.00 C ATOM 57 O GLU A 4 -34.518 -22.165 -8.843 1.00 0.00 O ATOM 58 CB GLU A 4 -34.623 -21.672 -11.497 1.00 0.00 C ATOM 59 CG GLU A 4 -34.229 -21.716 -12.976 1.00 0.00 C ATOM 60 CD GLU A 4 -35.432 -21.330 -13.839 1.00 0.00 C ATOM 61 OE1 GLU A 4 -36.146 -20.420 -13.451 1.00 0.00 O ATOM 62 OE2 GLU A 4 -35.617 -21.948 -14.875 1.00 0.00 O ATOM 0 H GLU A 4 -37.059 -22.773 -11.223 1.00 0.00 H new ATOM 0 HA GLU A 4 -34.241 -23.794 -11.421 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -35.482 -21.015 -11.359 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -33.806 -21.258 -10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -33.401 -21.033 -13.163 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -33.884 -22.715 -13.241 1.00 0.00 H new ATOM 69 N GLU A 5 -35.285 -24.223 -8.890 1.00 0.00 N ATOM 70 CA GLU A 5 -35.255 -24.315 -7.402 1.00 0.00 C ATOM 71 C GLU A 5 -36.197 -23.261 -6.816 1.00 0.00 C ATOM 72 O GLU A 5 -37.363 -23.517 -6.582 1.00 0.00 O ATOM 73 CB GLU A 5 -33.830 -24.066 -6.901 1.00 0.00 C ATOM 74 CG GLU A 5 -33.220 -25.381 -6.409 1.00 0.00 C ATOM 75 CD GLU A 5 -32.699 -26.186 -7.602 1.00 0.00 C ATOM 76 OE1 GLU A 5 -33.476 -26.935 -8.171 1.00 0.00 O ATOM 77 OE2 GLU A 5 -31.532 -26.038 -7.927 1.00 0.00 O ATOM 0 H GLU A 5 -35.616 -25.059 -9.371 1.00 0.00 H new ATOM 0 HA GLU A 5 -35.576 -25.308 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -33.220 -23.648 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -33.841 -23.334 -6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -32.407 -25.178 -5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -33.968 -25.959 -5.866 1.00 0.00 H new ATOM 84 N THR A 6 -35.708 -22.073 -6.583 1.00 0.00 N ATOM 85 CA THR A 6 -36.580 -21.005 -6.021 1.00 0.00 C ATOM 86 C THR A 6 -36.474 -19.752 -6.898 1.00 0.00 C ATOM 87 O THR A 6 -35.429 -19.476 -7.454 1.00 0.00 O ATOM 88 CB THR A 6 -36.131 -20.671 -4.596 1.00 0.00 C ATOM 89 OG1 THR A 6 -34.713 -20.603 -4.551 1.00 0.00 O ATOM 90 CG2 THR A 6 -36.624 -21.754 -3.635 1.00 0.00 C ATOM 0 H THR A 6 -34.742 -21.797 -6.758 1.00 0.00 H new ATOM 0 HA THR A 6 -37.613 -21.352 -6.001 1.00 0.00 H new ATOM 0 HB THR A 6 -36.550 -19.709 -4.300 1.00 0.00 H new ATOM 0 HG1 THR A 6 -34.425 -20.388 -3.640 1.00 0.00 H new ATOM 0 HG21 THR A 6 -36.303 -21.514 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 6 -37.712 -21.803 -3.669 1.00 0.00 H new ATOM 0 HG23 THR A 6 -36.208 -22.718 -3.929 1.00 0.00 H new ATOM 98 N PRO A 7 -37.560 -19.029 -6.996 1.00 0.00 N ATOM 99 CA PRO A 7 -37.609 -17.797 -7.803 1.00 0.00 C ATOM 100 C PRO A 7 -36.587 -16.787 -7.275 1.00 0.00 C ATOM 101 O PRO A 7 -36.018 -16.964 -6.215 1.00 0.00 O ATOM 102 CB PRO A 7 -39.040 -17.268 -7.628 1.00 0.00 C ATOM 103 CG PRO A 7 -39.798 -18.258 -6.705 1.00 0.00 C ATOM 104 CD PRO A 7 -38.819 -19.376 -6.314 1.00 0.00 C ATOM 0 HA PRO A 7 -37.368 -17.972 -8.852 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -39.028 -16.270 -7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -39.539 -17.187 -8.594 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -40.168 -17.746 -5.817 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -40.666 -18.672 -7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -38.684 -19.423 -5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -39.185 -20.352 -6.632 1.00 0.00 H new ATOM 112 N GLU A 8 -36.345 -15.731 -8.003 1.00 0.00 N ATOM 113 CA GLU A 8 -35.356 -14.721 -7.535 1.00 0.00 C ATOM 114 C GLU A 8 -35.503 -13.440 -8.356 1.00 0.00 C ATOM 115 O GLU A 8 -34.610 -13.050 -9.081 1.00 0.00 O ATOM 116 CB GLU A 8 -33.940 -15.276 -7.710 1.00 0.00 C ATOM 117 CG GLU A 8 -32.940 -14.359 -7.005 1.00 0.00 C ATOM 118 CD GLU A 8 -32.493 -15.004 -5.693 1.00 0.00 C ATOM 119 OE1 GLU A 8 -33.129 -15.960 -5.279 1.00 0.00 O ATOM 120 OE2 GLU A 8 -31.522 -14.533 -5.123 1.00 0.00 O ATOM 0 H GLU A 8 -36.788 -15.525 -8.898 1.00 0.00 H new ATOM 0 HA GLU A 8 -35.535 -14.500 -6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -33.879 -16.283 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -33.696 -15.351 -8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -32.078 -14.182 -7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -33.396 -13.389 -6.809 1.00 0.00 H new ATOM 127 N THR A 9 -36.623 -12.781 -8.250 1.00 0.00 N ATOM 128 CA THR A 9 -36.823 -11.526 -9.025 1.00 0.00 C ATOM 129 C THR A 9 -36.031 -10.346 -8.417 1.00 0.00 C ATOM 130 O THR A 9 -35.598 -9.482 -9.153 1.00 0.00 O ATOM 131 CB THR A 9 -38.326 -11.194 -9.098 1.00 0.00 C ATOM 132 OG1 THR A 9 -38.576 -10.428 -10.268 1.00 0.00 O ATOM 133 CG2 THR A 9 -38.788 -10.400 -7.868 1.00 0.00 C ATOM 0 H THR A 9 -37.408 -13.057 -7.660 1.00 0.00 H new ATOM 0 HA THR A 9 -36.441 -11.684 -10.033 1.00 0.00 H new ATOM 0 HB THR A 9 -38.882 -12.131 -9.126 1.00 0.00 H new ATOM 0 HG1 THR A 9 -39.531 -10.215 -10.321 1.00 0.00 H new ATOM 0 HG21 THR A 9 -39.853 -10.183 -7.954 1.00 0.00 H new ATOM 0 HG22 THR A 9 -38.608 -10.987 -6.967 1.00 0.00 H new ATOM 0 HG23 THR A 9 -38.231 -9.465 -7.808 1.00 0.00 H new ATOM 141 N PRO A 10 -35.864 -10.311 -7.105 1.00 0.00 N ATOM 142 CA PRO A 10 -35.131 -9.204 -6.458 1.00 0.00 C ATOM 143 C PRO A 10 -33.668 -9.195 -6.909 1.00 0.00 C ATOM 144 O PRO A 10 -33.163 -10.165 -7.437 1.00 0.00 O ATOM 145 CB PRO A 10 -35.228 -9.486 -4.953 1.00 0.00 C ATOM 146 CG PRO A 10 -36.049 -10.786 -4.769 1.00 0.00 C ATOM 147 CD PRO A 10 -36.373 -11.334 -6.167 1.00 0.00 C ATOM 0 HA PRO A 10 -35.547 -8.231 -6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -34.234 -9.597 -4.520 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -35.709 -8.654 -4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -35.483 -11.518 -4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -36.966 -10.584 -4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -35.892 -12.298 -6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -37.445 -11.487 -6.293 1.00 0.00 H new ATOM 155 N GLU A 11 -32.986 -8.101 -6.703 1.00 0.00 N ATOM 156 CA GLU A 11 -31.558 -8.018 -7.115 1.00 0.00 C ATOM 157 C GLU A 11 -30.824 -9.291 -6.693 1.00 0.00 C ATOM 158 O GLU A 11 -31.167 -9.925 -5.716 1.00 0.00 O ATOM 159 CB GLU A 11 -30.909 -6.808 -6.444 1.00 0.00 C ATOM 160 CG GLU A 11 -31.088 -6.912 -4.929 1.00 0.00 C ATOM 161 CD GLU A 11 -31.031 -5.516 -4.308 1.00 0.00 C ATOM 162 OE1 GLU A 11 -30.245 -4.710 -4.780 1.00 0.00 O ATOM 163 OE2 GLU A 11 -31.774 -5.274 -3.371 1.00 0.00 O ATOM 0 H GLU A 11 -33.359 -7.259 -6.265 1.00 0.00 H new ATOM 0 HA GLU A 11 -31.498 -7.912 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -29.849 -6.764 -6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -31.362 -5.887 -6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -32.042 -7.385 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -30.308 -7.543 -4.503 1.00 0.00 H new ATOM 170 N THR A 12 -29.813 -9.667 -7.426 1.00 0.00 N ATOM 171 CA THR A 12 -29.050 -10.898 -7.075 1.00 0.00 C ATOM 172 C THR A 12 -28.268 -10.661 -5.780 1.00 0.00 C ATOM 173 O THR A 12 -28.126 -9.543 -5.325 1.00 0.00 O ATOM 174 CB THR A 12 -28.076 -11.232 -8.209 1.00 0.00 C ATOM 175 OG1 THR A 12 -27.278 -12.346 -7.836 1.00 0.00 O ATOM 176 CG2 THR A 12 -27.177 -10.026 -8.483 1.00 0.00 C ATOM 0 H THR A 12 -29.481 -9.174 -8.255 1.00 0.00 H new ATOM 0 HA THR A 12 -29.741 -11.729 -6.933 1.00 0.00 H new ATOM 0 HB THR A 12 -28.638 -11.475 -9.110 1.00 0.00 H new ATOM 0 HG1 THR A 12 -26.656 -12.561 -8.562 1.00 0.00 H new ATOM 0 HG21 THR A 12 -26.484 -10.264 -9.290 1.00 0.00 H new ATOM 0 HG22 THR A 12 -27.791 -9.173 -8.772 1.00 0.00 H new ATOM 0 HG23 THR A 12 -26.614 -9.780 -7.583 1.00 0.00 H new ATOM 184 N ASP A 13 -27.760 -11.705 -5.181 1.00 0.00 N ATOM 185 CA ASP A 13 -26.990 -11.540 -3.914 1.00 0.00 C ATOM 186 C ASP A 13 -25.537 -11.969 -4.138 1.00 0.00 C ATOM 187 O ASP A 13 -24.683 -11.156 -4.433 1.00 0.00 O ATOM 188 CB ASP A 13 -27.617 -12.406 -2.820 1.00 0.00 C ATOM 189 CG ASP A 13 -29.029 -11.902 -2.515 1.00 0.00 C ATOM 190 OD1 ASP A 13 -29.929 -12.225 -3.272 1.00 0.00 O ATOM 191 OD2 ASP A 13 -29.186 -11.199 -1.528 1.00 0.00 O ATOM 0 H ASP A 13 -27.845 -12.665 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 13 -27.015 -10.494 -3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -27.653 -13.447 -3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -27.005 -12.372 -1.919 1.00 0.00 H new ATOM 196 N SER A 14 -25.253 -13.241 -3.999 1.00 0.00 N ATOM 197 CA SER A 14 -23.859 -13.740 -4.201 1.00 0.00 C ATOM 198 C SER A 14 -23.043 -13.533 -2.921 1.00 0.00 C ATOM 199 O SER A 14 -22.622 -14.478 -2.285 1.00 0.00 O ATOM 200 CB SER A 14 -23.201 -12.989 -5.361 1.00 0.00 C ATOM 201 OG SER A 14 -24.206 -12.548 -6.264 1.00 0.00 O ATOM 0 H SER A 14 -25.933 -13.960 -3.752 1.00 0.00 H new ATOM 0 HA SER A 14 -23.892 -14.804 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 14 -22.635 -12.137 -4.984 1.00 0.00 H new ATOM 0 HB3 SER A 14 -22.493 -13.639 -5.875 1.00 0.00 H new ATOM 0 HG SER A 14 -24.398 -11.601 -6.102 1.00 0.00 H new ATOM 207 N GLU A 15 -22.818 -12.308 -2.537 1.00 0.00 N ATOM 208 CA GLU A 15 -22.031 -12.049 -1.298 1.00 0.00 C ATOM 209 C GLU A 15 -22.418 -10.678 -0.737 1.00 0.00 C ATOM 210 O GLU A 15 -22.927 -10.567 0.361 1.00 0.00 O ATOM 211 CB GLU A 15 -20.536 -12.071 -1.631 1.00 0.00 C ATOM 212 CG GLU A 15 -19.949 -13.431 -1.243 1.00 0.00 C ATOM 213 CD GLU A 15 -18.797 -13.231 -0.256 1.00 0.00 C ATOM 214 OE1 GLU A 15 -19.070 -13.121 0.928 1.00 0.00 O ATOM 215 OE2 GLU A 15 -17.662 -13.194 -0.701 1.00 0.00 O ATOM 0 H GLU A 15 -23.144 -11.475 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 15 -22.243 -12.818 -0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -20.386 -11.888 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -20.021 -11.274 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -20.721 -14.057 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.593 -13.952 -2.132 1.00 0.00 H new ATOM 222 N GLU A 16 -22.193 -9.636 -1.490 1.00 0.00 N ATOM 223 CA GLU A 16 -22.560 -8.274 -1.010 1.00 0.00 C ATOM 224 C GLU A 16 -22.976 -7.417 -2.207 1.00 0.00 C ATOM 225 O GLU A 16 -22.885 -7.838 -3.343 1.00 0.00 O ATOM 226 CB GLU A 16 -21.364 -7.630 -0.307 1.00 0.00 C ATOM 227 CG GLU A 16 -21.685 -7.448 1.178 1.00 0.00 C ATOM 228 CD GLU A 16 -20.535 -8.000 2.024 1.00 0.00 C ATOM 229 OE1 GLU A 16 -19.627 -8.579 1.451 1.00 0.00 O ATOM 230 OE2 GLU A 16 -20.582 -7.835 3.232 1.00 0.00 O ATOM 0 H GLU A 16 -21.770 -9.669 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 16 -23.387 -8.347 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.479 -8.255 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.136 -6.666 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -21.839 -6.392 1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -22.612 -7.964 1.426 1.00 0.00 H new ATOM 237 N GLU A 17 -23.448 -6.224 -1.967 1.00 0.00 N ATOM 238 CA GLU A 17 -23.881 -5.361 -3.088 1.00 0.00 C ATOM 239 C GLU A 17 -22.903 -4.196 -3.274 1.00 0.00 C ATOM 240 O GLU A 17 -23.063 -3.386 -4.165 1.00 0.00 O ATOM 241 CB GLU A 17 -25.272 -4.816 -2.777 1.00 0.00 C ATOM 242 CG GLU A 17 -25.234 -3.987 -1.491 1.00 0.00 C ATOM 243 CD GLU A 17 -26.662 -3.747 -0.998 1.00 0.00 C ATOM 244 OE1 GLU A 17 -27.277 -4.698 -0.543 1.00 0.00 O ATOM 245 OE2 GLU A 17 -27.116 -2.619 -1.084 1.00 0.00 O ATOM 0 H GLU A 17 -23.550 -5.814 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 17 -23.902 -5.946 -4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -25.624 -4.201 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -25.978 -5.639 -2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -24.657 -4.507 -0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -24.736 -3.035 -1.674 1.00 0.00 H new ATOM 252 N VAL A 18 -21.888 -4.100 -2.456 1.00 0.00 N ATOM 253 CA VAL A 18 -20.918 -2.982 -2.617 1.00 0.00 C ATOM 254 C VAL A 18 -19.519 -3.557 -2.819 1.00 0.00 C ATOM 255 O VAL A 18 -19.123 -4.497 -2.163 1.00 0.00 O ATOM 256 CB VAL A 18 -20.931 -2.095 -1.370 1.00 0.00 C ATOM 257 CG1 VAL A 18 -21.949 -0.971 -1.554 1.00 0.00 C ATOM 258 CG2 VAL A 18 -21.316 -2.928 -0.146 1.00 0.00 C ATOM 0 H VAL A 18 -21.691 -4.743 -1.689 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.199 -2.382 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.938 -1.671 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.958 -0.339 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -21.676 -0.372 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.940 -1.399 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.324 -2.292 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.308 -3.356 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -20.591 -3.731 -0.010 1.00 0.00 H new ATOM 268 N THR A 19 -18.765 -3.004 -3.727 1.00 0.00 N ATOM 269 CA THR A 19 -17.392 -3.531 -3.969 1.00 0.00 C ATOM 270 C THR A 19 -16.445 -2.374 -4.264 1.00 0.00 C ATOM 271 O THR A 19 -16.342 -1.914 -5.384 1.00 0.00 O ATOM 272 CB THR A 19 -17.404 -4.476 -5.175 1.00 0.00 C ATOM 273 OG1 THR A 19 -17.449 -3.708 -6.370 1.00 0.00 O ATOM 274 CG2 THR A 19 -18.623 -5.400 -5.120 1.00 0.00 C ATOM 0 H THR A 19 -19.038 -2.213 -4.310 1.00 0.00 H new ATOM 0 HA THR A 19 -17.058 -4.069 -3.082 1.00 0.00 H new ATOM 0 HB THR A 19 -16.501 -5.086 -5.155 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.681 -3.100 -6.397 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.615 -6.064 -5.984 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.589 -5.993 -4.206 1.00 0.00 H new ATOM 0 HG23 THR A 19 -19.534 -4.802 -5.130 1.00 0.00 H new ATOM 282 N ILE A 20 -15.738 -1.908 -3.278 1.00 0.00 N ATOM 283 CA ILE A 20 -14.792 -0.795 -3.522 1.00 0.00 C ATOM 284 C ILE A 20 -13.521 -1.365 -4.142 1.00 0.00 C ATOM 285 O ILE A 20 -12.975 -2.342 -3.673 1.00 0.00 O ATOM 286 CB ILE A 20 -14.470 -0.102 -2.199 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.594 1.117 -2.464 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.734 -1.063 -1.271 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.300 2.352 -1.927 1.00 0.00 C ATOM 0 H ILE A 20 -15.775 -2.249 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.233 -0.065 -4.200 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.400 0.210 -1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.624 0.997 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.408 1.223 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -13.509 -0.560 -0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.361 -1.933 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.805 -1.384 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -13.684 3.232 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.260 2.470 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.464 2.240 -0.855 1.00 0.00 H new ATOM 301 N LYS A 21 -13.049 -0.781 -5.203 1.00 0.00 N ATOM 302 CA LYS A 21 -11.824 -1.323 -5.840 1.00 0.00 C ATOM 303 C LYS A 21 -10.654 -0.374 -5.606 1.00 0.00 C ATOM 304 O LYS A 21 -10.824 0.788 -5.297 1.00 0.00 O ATOM 305 CB LYS A 21 -12.048 -1.498 -7.341 1.00 0.00 C ATOM 306 CG LYS A 21 -11.360 -2.784 -7.805 1.00 0.00 C ATOM 307 CD LYS A 21 -11.088 -2.708 -9.311 1.00 0.00 C ATOM 308 CE LYS A 21 -10.143 -3.841 -9.745 1.00 0.00 C ATOM 309 NZ LYS A 21 -9.963 -4.822 -8.633 1.00 0.00 N ATOM 0 H LYS A 21 -13.454 0.040 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.596 -2.292 -5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.115 -1.543 -7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.648 -0.641 -7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.425 -2.924 -7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.989 -3.646 -7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.027 -2.779 -9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.646 -1.743 -9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.548 -4.346 -10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.177 -3.427 -10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.450 -5.655 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.419 -4.380 -7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.894 -5.115 -8.274 1.00 0.00 H new ATOM 323 N ALA A 22 -9.466 -0.873 -5.759 1.00 0.00 N ATOM 324 CA ALA A 22 -8.260 -0.032 -5.559 1.00 0.00 C ATOM 325 C ALA A 22 -7.127 -0.642 -6.373 1.00 0.00 C ATOM 326 O ALA A 22 -7.317 -1.614 -7.075 1.00 0.00 O ATOM 327 CB ALA A 22 -7.885 -0.017 -4.075 1.00 0.00 C ATOM 0 H ALA A 22 -9.276 -1.841 -6.018 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.449 0.992 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.999 0.601 -3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.712 0.392 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.677 -1.034 -3.742 1.00 0.00 H new ATOM 333 N ASN A 23 -5.952 -0.094 -6.297 1.00 0.00 N ATOM 334 CA ASN A 23 -4.836 -0.676 -7.081 1.00 0.00 C ATOM 335 C ASN A 23 -3.493 -0.272 -6.492 1.00 0.00 C ATOM 336 O ASN A 23 -3.385 0.682 -5.757 1.00 0.00 O ATOM 337 CB ASN A 23 -4.932 -0.211 -8.527 1.00 0.00 C ATOM 338 CG ASN A 23 -5.510 -1.329 -9.392 1.00 0.00 C ATOM 339 OD1 ASN A 23 -6.799 -1.391 -9.567 1.00 0.00 O flip ATOM 340 ND2 ASN A 23 -4.782 -2.152 -9.913 1.00 0.00 N flip ATOM 0 H ASN A 23 -5.717 0.723 -5.733 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.912 -1.763 -7.042 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.563 0.675 -8.593 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.945 0.072 -8.894 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.773 -2.101 -9.774 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.181 -2.893 -10.489 1.00 0.00 H new ATOM 347 N LEU A 24 -2.468 -1.012 -6.812 1.00 0.00 N ATOM 348 CA LEU A 24 -1.116 -0.703 -6.278 1.00 0.00 C ATOM 349 C LEU A 24 -0.103 -0.696 -7.425 1.00 0.00 C ATOM 350 O LEU A 24 0.494 -1.707 -7.740 1.00 0.00 O ATOM 351 CB LEU A 24 -0.719 -1.768 -5.266 1.00 0.00 C ATOM 352 CG LEU A 24 -1.901 -2.059 -4.351 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.254 -3.534 -4.466 1.00 0.00 C ATOM 354 CD2 LEU A 24 -1.525 -1.723 -2.906 1.00 0.00 C ATOM 0 H LEU A 24 -2.512 -1.825 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.130 0.275 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.410 -2.678 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.135 -1.428 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.758 -1.452 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.100 -3.758 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.519 -3.765 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.397 -4.138 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.372 -1.932 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.673 -2.330 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.263 -0.667 -2.834 1.00 0.00 H new ATOM 366 N ILE A 25 0.097 0.428 -8.055 1.00 0.00 N ATOM 367 CA ILE A 25 1.071 0.484 -9.182 1.00 0.00 C ATOM 368 C ILE A 25 2.455 0.859 -8.648 1.00 0.00 C ATOM 369 O ILE A 25 2.697 1.987 -8.268 1.00 0.00 O ATOM 370 CB ILE A 25 0.621 1.537 -10.197 1.00 0.00 C ATOM 371 CG1 ILE A 25 -0.610 1.031 -10.951 1.00 0.00 C ATOM 372 CG2 ILE A 25 1.751 1.797 -11.197 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.855 1.200 -10.078 1.00 0.00 C ATOM 0 H ILE A 25 -0.370 1.309 -7.839 1.00 0.00 H new ATOM 0 HA ILE A 25 1.118 -0.493 -9.664 1.00 0.00 H new ATOM 0 HB ILE A 25 0.374 2.460 -9.672 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.730 1.583 -11.883 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.480 -0.018 -11.217 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.431 2.547 -11.920 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.631 2.158 -10.665 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.996 0.871 -11.718 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.730 0.839 -10.618 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.735 0.628 -9.158 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.989 2.254 -9.835 1.00 0.00 H new ATOM 385 N PHE A 26 3.369 -0.074 -8.625 1.00 0.00 N ATOM 386 CA PHE A 26 4.733 0.241 -8.126 1.00 0.00 C ATOM 387 C PHE A 26 5.673 0.451 -9.302 1.00 0.00 C ATOM 388 O PHE A 26 5.451 -0.025 -10.397 1.00 0.00 O ATOM 389 CB PHE A 26 5.260 -0.902 -7.283 1.00 0.00 C ATOM 390 CG PHE A 26 4.333 -1.147 -6.114 1.00 0.00 C ATOM 391 CD1 PHE A 26 4.510 -0.428 -4.925 1.00 0.00 C ATOM 392 CD2 PHE A 26 3.300 -2.087 -6.217 1.00 0.00 C ATOM 393 CE1 PHE A 26 3.653 -0.649 -3.840 1.00 0.00 C ATOM 394 CE2 PHE A 26 2.444 -2.307 -5.132 1.00 0.00 C ATOM 395 CZ PHE A 26 2.620 -1.589 -3.943 1.00 0.00 C ATOM 0 H PHE A 26 3.228 -1.037 -8.930 1.00 0.00 H new ATOM 0 HA PHE A 26 4.680 1.147 -7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.343 -1.804 -7.889 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.261 -0.668 -6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.307 0.296 -4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.164 -2.642 -7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.789 -0.094 -2.923 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.647 -3.031 -5.212 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.960 -1.760 -3.106 1.00 0.00 H new ATOM 405 N ALA A 27 6.729 1.156 -9.064 1.00 0.00 N ATOM 406 CA ALA A 27 7.725 1.417 -10.136 1.00 0.00 C ATOM 407 C ALA A 27 8.691 0.236 -10.233 1.00 0.00 C ATOM 408 O ALA A 27 9.253 -0.038 -11.275 1.00 0.00 O ATOM 409 CB ALA A 27 8.504 2.690 -9.804 1.00 0.00 C ATOM 0 H ALA A 27 6.953 1.572 -8.160 1.00 0.00 H new ATOM 0 HA ALA A 27 7.212 1.543 -11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.235 2.884 -10.589 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.814 3.531 -9.735 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.019 2.564 -8.851 1.00 0.00 H new ATOM 415 N ASN A 28 8.908 -0.448 -9.143 1.00 0.00 N ATOM 416 CA ASN A 28 9.859 -1.588 -9.151 1.00 0.00 C ATOM 417 C ASN A 28 9.179 -2.840 -8.596 1.00 0.00 C ATOM 418 O ASN A 28 9.501 -3.950 -8.973 1.00 0.00 O ATOM 419 CB ASN A 28 11.058 -1.239 -8.272 1.00 0.00 C ATOM 420 CG ASN A 28 10.658 -0.198 -7.221 1.00 0.00 C ATOM 421 OD1 ASN A 28 10.646 1.065 -7.544 1.00 0.00 O flip ATOM 422 ND2 ASN A 28 10.352 -0.542 -6.096 1.00 0.00 N flip ATOM 0 H ASN A 28 8.463 -0.263 -8.244 1.00 0.00 H new ATOM 0 HA ASN A 28 10.184 -1.780 -10.173 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.432 -2.137 -7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.869 -0.851 -8.888 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.362 -1.530 -5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.085 0.158 -5.403 1.00 0.00 H new ATOM 429 N GLY A 29 8.245 -2.673 -7.700 1.00 0.00 N ATOM 430 CA GLY A 29 7.547 -3.855 -7.118 1.00 0.00 C ATOM 431 C GLY A 29 6.461 -4.349 -8.080 1.00 0.00 C ATOM 432 O GLY A 29 5.577 -5.088 -7.698 1.00 0.00 O ATOM 0 H GLY A 29 7.935 -1.768 -7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.264 -4.653 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.102 -3.589 -6.159 1.00 0.00 H new ATOM 436 N SER A 30 6.515 -3.942 -9.322 1.00 0.00 N ATOM 437 CA SER A 30 5.492 -4.385 -10.297 1.00 0.00 C ATOM 438 C SER A 30 4.152 -3.763 -9.920 1.00 0.00 C ATOM 439 O SER A 30 4.055 -3.013 -8.973 1.00 0.00 O ATOM 440 CB SER A 30 5.391 -5.906 -10.271 1.00 0.00 C ATOM 441 OG SER A 30 6.068 -6.439 -11.401 1.00 0.00 O ATOM 0 H SER A 30 7.230 -3.319 -9.698 1.00 0.00 H new ATOM 0 HA SER A 30 5.769 -4.068 -11.302 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.829 -6.296 -9.352 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.345 -6.213 -10.280 1.00 0.00 H new ATOM 0 HG SER A 30 6.007 -7.417 -11.388 1.00 0.00 H new ATOM 447 N THR A 31 3.118 -4.052 -10.651 1.00 0.00 N ATOM 448 CA THR A 31 1.801 -3.452 -10.313 1.00 0.00 C ATOM 449 C THR A 31 0.890 -4.517 -9.695 1.00 0.00 C ATOM 450 O THR A 31 1.252 -5.671 -9.585 1.00 0.00 O ATOM 451 CB THR A 31 1.157 -2.894 -11.586 1.00 0.00 C ATOM 452 OG1 THR A 31 1.165 -3.889 -12.605 1.00 0.00 O ATOM 453 CG2 THR A 31 1.946 -1.672 -12.058 1.00 0.00 C ATOM 0 H THR A 31 3.125 -4.672 -11.461 1.00 0.00 H new ATOM 0 HA THR A 31 1.943 -2.645 -9.594 1.00 0.00 H new ATOM 0 HB THR A 31 0.127 -2.606 -11.375 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.751 -3.529 -13.417 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.490 -1.272 -12.964 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.935 -0.909 -11.280 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.976 -1.962 -12.267 1.00 0.00 H new ATOM 461 N GLN A 32 -0.288 -4.132 -9.285 1.00 0.00 N ATOM 462 CA GLN A 32 -1.227 -5.113 -8.665 1.00 0.00 C ATOM 463 C GLN A 32 -2.561 -4.409 -8.405 1.00 0.00 C ATOM 464 O GLN A 32 -2.758 -3.282 -8.805 1.00 0.00 O ATOM 465 CB GLN A 32 -0.628 -5.605 -7.336 1.00 0.00 C ATOM 466 CG GLN A 32 -1.134 -7.015 -6.981 1.00 0.00 C ATOM 467 CD GLN A 32 -1.195 -7.900 -8.229 1.00 0.00 C ATOM 468 OE1 GLN A 32 -2.238 -8.037 -8.838 1.00 0.00 O ATOM 469 NE2 GLN A 32 -0.117 -8.511 -8.636 1.00 0.00 N ATOM 0 H GLN A 32 -0.642 -3.178 -9.352 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.384 -5.965 -9.326 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.460 -5.614 -7.406 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.890 -4.911 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.474 -7.467 -6.241 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.123 -6.948 -6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.758 -8.396 -8.125 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.149 -9.104 -9.465 1.00 0.00 H new ATOM 478 N THR A 33 -3.488 -5.061 -7.755 1.00 0.00 N ATOM 479 CA THR A 33 -4.794 -4.416 -7.495 1.00 0.00 C ATOM 480 C THR A 33 -5.244 -4.694 -6.054 1.00 0.00 C ATOM 481 O THR A 33 -4.958 -5.734 -5.492 1.00 0.00 O ATOM 482 CB THR A 33 -5.835 -4.989 -8.458 1.00 0.00 C ATOM 483 OG1 THR A 33 -6.526 -6.056 -7.823 1.00 0.00 O ATOM 484 CG2 THR A 33 -5.158 -5.505 -9.733 1.00 0.00 C ATOM 0 H THR A 33 -3.391 -6.011 -7.396 1.00 0.00 H new ATOM 0 HA THR A 33 -4.695 -3.340 -7.640 1.00 0.00 H new ATOM 0 HB THR A 33 -6.538 -4.201 -8.729 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.195 -6.424 -8.437 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.913 -5.909 -10.408 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.634 -4.685 -10.224 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.445 -6.288 -9.475 1.00 0.00 H new ATOM 492 N ALA A 34 -5.965 -3.778 -5.463 1.00 0.00 N ATOM 493 CA ALA A 34 -6.462 -3.983 -4.071 1.00 0.00 C ATOM 494 C ALA A 34 -7.994 -3.978 -4.098 1.00 0.00 C ATOM 495 O ALA A 34 -8.595 -3.491 -5.036 1.00 0.00 O ATOM 496 CB ALA A 34 -5.960 -2.848 -3.174 1.00 0.00 C ATOM 0 H ALA A 34 -6.233 -2.890 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.097 -4.932 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.324 -2.999 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.870 -2.841 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.328 -1.895 -3.553 1.00 0.00 H new ATOM 502 N GLU A 35 -8.643 -4.519 -3.100 1.00 0.00 N ATOM 503 CA GLU A 35 -10.137 -4.528 -3.126 1.00 0.00 C ATOM 504 C GLU A 35 -10.718 -4.752 -1.724 1.00 0.00 C ATOM 505 O GLU A 35 -10.192 -5.505 -0.930 1.00 0.00 O ATOM 506 CB GLU A 35 -10.614 -5.649 -4.045 1.00 0.00 C ATOM 507 CG GLU A 35 -12.023 -5.334 -4.551 1.00 0.00 C ATOM 508 CD GLU A 35 -13.051 -5.751 -3.497 1.00 0.00 C ATOM 509 OE1 GLU A 35 -12.777 -6.694 -2.772 1.00 0.00 O ATOM 510 OE2 GLU A 35 -14.094 -5.122 -3.433 1.00 0.00 O ATOM 0 H GLU A 35 -8.213 -4.948 -2.281 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.479 -3.559 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.930 -5.758 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.613 -6.598 -3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.115 -4.269 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.211 -5.862 -5.486 1.00 0.00 H new ATOM 517 N PHE A 36 -11.824 -4.113 -1.432 1.00 0.00 N ATOM 518 CA PHE A 36 -12.479 -4.288 -0.113 1.00 0.00 C ATOM 519 C PHE A 36 -14.001 -4.268 -0.307 1.00 0.00 C ATOM 520 O PHE A 36 -14.623 -3.229 -0.270 1.00 0.00 O ATOM 521 CB PHE A 36 -12.102 -3.157 0.829 1.00 0.00 C ATOM 522 CG PHE A 36 -10.747 -2.570 0.492 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.544 -1.895 -0.717 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.698 -2.680 1.415 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.293 -1.333 -1.005 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.446 -2.122 1.126 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.242 -1.448 -0.080 1.00 0.00 C ATOM 0 H PHE A 36 -12.302 -3.471 -2.064 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.152 -5.235 0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.859 -2.375 0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -12.093 -3.526 1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.352 -1.807 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.855 -3.196 2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.137 -0.812 -1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.638 -2.213 1.837 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.277 -1.016 -0.301 1.00 0.00 H new ATOM 537 N LYS A 37 -14.608 -5.401 -0.517 1.00 0.00 N ATOM 538 CA LYS A 37 -16.086 -5.416 -0.718 1.00 0.00 C ATOM 539 C LYS A 37 -16.789 -5.304 0.637 1.00 0.00 C ATOM 540 O LYS A 37 -16.171 -5.419 1.676 1.00 0.00 O ATOM 541 CB LYS A 37 -16.486 -6.719 -1.408 1.00 0.00 C ATOM 542 CG LYS A 37 -16.863 -6.437 -2.861 1.00 0.00 C ATOM 543 CD LYS A 37 -16.700 -7.711 -3.691 1.00 0.00 C ATOM 544 CE LYS A 37 -17.634 -8.795 -3.154 1.00 0.00 C ATOM 545 NZ LYS A 37 -19.040 -8.459 -3.517 1.00 0.00 N ATOM 0 H LYS A 37 -14.151 -6.312 -0.558 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.382 -4.572 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.662 -7.431 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.327 -7.175 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.892 -6.083 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.231 -5.645 -3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.927 -7.507 -4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.666 -8.054 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.361 -9.765 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.535 -8.873 -2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.645 -9.292 -3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.375 -7.677 -2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.082 -8.174 -4.516 1.00 0.00 H new ATOM 559 N GLY A 38 -18.076 -5.067 0.639 1.00 0.00 N ATOM 560 CA GLY A 38 -18.804 -4.931 1.933 1.00 0.00 C ATOM 561 C GLY A 38 -18.961 -3.443 2.258 1.00 0.00 C ATOM 562 O GLY A 38 -20.028 -2.879 2.122 1.00 0.00 O ATOM 0 H GLY A 38 -18.651 -4.962 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.782 -5.408 1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.256 -5.435 2.729 1.00 0.00 H new ATOM 566 N THR A 39 -17.901 -2.801 2.671 1.00 0.00 N ATOM 567 CA THR A 39 -17.980 -1.347 2.985 1.00 0.00 C ATOM 568 C THR A 39 -17.867 -0.562 1.674 1.00 0.00 C ATOM 569 O THR A 39 -17.359 -1.067 0.693 1.00 0.00 O ATOM 570 CB THR A 39 -16.825 -0.971 3.916 1.00 0.00 C ATOM 571 OG1 THR A 39 -16.202 -2.155 4.396 1.00 0.00 O ATOM 572 CG2 THR A 39 -17.357 -0.160 5.097 1.00 0.00 C ATOM 0 H THR A 39 -16.982 -3.223 2.804 1.00 0.00 H new ATOM 0 HA THR A 39 -18.925 -1.113 3.476 1.00 0.00 H new ATOM 0 HB THR A 39 -16.099 -0.372 3.367 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.461 -1.916 4.991 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.531 0.106 5.757 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.834 0.748 4.729 1.00 0.00 H new ATOM 0 HG23 THR A 39 -18.085 -0.755 5.648 1.00 0.00 H new ATOM 580 N PHE A 40 -18.337 0.657 1.630 1.00 0.00 N ATOM 581 CA PHE A 40 -18.242 1.421 0.351 1.00 0.00 C ATOM 582 C PHE A 40 -17.045 2.374 0.372 1.00 0.00 C ATOM 583 O PHE A 40 -15.944 1.999 0.024 1.00 0.00 O ATOM 584 CB PHE A 40 -19.534 2.205 0.092 1.00 0.00 C ATOM 585 CG PHE A 40 -19.472 2.822 -1.293 1.00 0.00 C ATOM 586 CD1 PHE A 40 -18.873 4.075 -1.489 1.00 0.00 C ATOM 587 CD2 PHE A 40 -19.994 2.123 -2.388 1.00 0.00 C ATOM 588 CE1 PHE A 40 -18.798 4.623 -2.775 1.00 0.00 C ATOM 589 CE2 PHE A 40 -19.923 2.675 -3.673 1.00 0.00 C ATOM 590 CZ PHE A 40 -19.323 3.925 -3.866 1.00 0.00 C ATOM 0 H PHE A 40 -18.775 1.150 2.409 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.099 0.704 -0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.397 1.544 0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -19.659 2.983 0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -18.469 4.618 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -20.452 1.156 -2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -18.334 5.587 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -20.331 2.136 -4.515 1.00 0.00 H new ATOM 0 HZ PHE A 40 -19.266 4.350 -4.857 1.00 0.00 H new ATOM 600 N GLU A 41 -17.244 3.605 0.747 1.00 0.00 N ATOM 601 CA GLU A 41 -16.114 4.569 0.745 1.00 0.00 C ATOM 602 C GLU A 41 -15.283 4.396 2.012 1.00 0.00 C ATOM 603 O GLU A 41 -14.141 4.805 2.072 1.00 0.00 O ATOM 604 CB GLU A 41 -16.668 5.987 0.653 1.00 0.00 C ATOM 605 CG GLU A 41 -15.513 6.988 0.562 1.00 0.00 C ATOM 606 CD GLU A 41 -16.047 8.407 0.775 1.00 0.00 C ATOM 607 OE1 GLU A 41 -17.243 8.546 0.974 1.00 0.00 O ATOM 608 OE2 GLU A 41 -15.251 9.330 0.737 1.00 0.00 O ATOM 0 H GLU A 41 -18.140 3.984 1.054 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.469 4.383 -0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.312 6.080 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.283 6.205 1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.757 6.756 1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.029 6.913 -0.412 1.00 0.00 H new ATOM 615 N LYS A 42 -15.828 3.774 3.018 1.00 0.00 N ATOM 616 CA LYS A 42 -15.033 3.560 4.245 1.00 0.00 C ATOM 617 C LYS A 42 -13.863 2.651 3.878 1.00 0.00 C ATOM 618 O LYS A 42 -12.827 2.656 4.512 1.00 0.00 O ATOM 619 CB LYS A 42 -15.897 2.904 5.320 1.00 0.00 C ATOM 620 CG LYS A 42 -16.130 3.897 6.458 1.00 0.00 C ATOM 621 CD LYS A 42 -16.097 3.157 7.795 1.00 0.00 C ATOM 622 CE LYS A 42 -17.142 2.041 7.784 1.00 0.00 C ATOM 623 NZ LYS A 42 -17.370 1.561 9.175 1.00 0.00 N ATOM 0 H LYS A 42 -16.780 3.410 3.040 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.670 4.509 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.850 2.591 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.407 2.007 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -15.364 4.673 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.091 4.395 6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.105 2.740 7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.298 3.850 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.076 2.407 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.804 1.218 7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.081 0.802 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.478 1.197 9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.710 2.349 9.763 1.00 0.00 H new ATOM 637 N ALA A 43 -14.026 1.885 2.831 1.00 0.00 N ATOM 638 CA ALA A 43 -12.935 0.982 2.376 1.00 0.00 C ATOM 639 C ALA A 43 -11.962 1.792 1.523 1.00 0.00 C ATOM 640 O ALA A 43 -10.813 1.437 1.377 1.00 0.00 O ATOM 641 CB ALA A 43 -13.522 -0.155 1.548 1.00 0.00 C ATOM 0 H ALA A 43 -14.876 1.848 2.269 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.415 0.559 3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.720 -0.815 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.229 -0.720 2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.037 0.256 0.679 1.00 0.00 H new ATOM 647 N THR A 44 -12.415 2.886 0.973 1.00 0.00 N ATOM 648 CA THR A 44 -11.511 3.738 0.151 1.00 0.00 C ATOM 649 C THR A 44 -10.386 4.243 1.062 1.00 0.00 C ATOM 650 O THR A 44 -9.220 4.147 0.738 1.00 0.00 O ATOM 651 CB THR A 44 -12.325 4.905 -0.453 1.00 0.00 C ATOM 652 OG1 THR A 44 -11.999 5.042 -1.828 1.00 0.00 O ATOM 653 CG2 THR A 44 -12.031 6.227 0.267 1.00 0.00 C ATOM 0 H THR A 44 -13.373 3.226 1.058 1.00 0.00 H new ATOM 0 HA THR A 44 -11.074 3.177 -0.675 1.00 0.00 H new ATOM 0 HB THR A 44 -13.384 4.678 -0.332 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.515 5.780 -2.215 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.620 7.026 -0.184 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.293 6.133 1.321 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.971 6.463 0.176 1.00 0.00 H new ATOM 661 N SER A 45 -10.733 4.752 2.217 1.00 0.00 N ATOM 662 CA SER A 45 -9.691 5.230 3.168 1.00 0.00 C ATOM 663 C SER A 45 -8.939 4.012 3.694 1.00 0.00 C ATOM 664 O SER A 45 -7.727 3.991 3.743 1.00 0.00 O ATOM 665 CB SER A 45 -10.357 5.968 4.332 1.00 0.00 C ATOM 666 OG SER A 45 -11.011 5.026 5.172 1.00 0.00 O ATOM 0 H SER A 45 -11.695 4.856 2.540 1.00 0.00 H new ATOM 0 HA SER A 45 -9.004 5.913 2.668 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.611 6.523 4.900 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.075 6.695 3.953 1.00 0.00 H new ATOM 0 HG SER A 45 -11.437 5.495 5.919 1.00 0.00 H new ATOM 672 N GLU A 46 -9.652 2.980 4.063 1.00 0.00 N ATOM 673 CA GLU A 46 -8.970 1.754 4.552 1.00 0.00 C ATOM 674 C GLU A 46 -8.016 1.286 3.458 1.00 0.00 C ATOM 675 O GLU A 46 -7.030 0.621 3.710 1.00 0.00 O ATOM 676 CB GLU A 46 -10.001 0.668 4.835 1.00 0.00 C ATOM 677 CG GLU A 46 -9.296 -0.684 4.989 1.00 0.00 C ATOM 678 CD GLU A 46 -10.249 -1.690 5.637 1.00 0.00 C ATOM 679 OE1 GLU A 46 -11.436 -1.614 5.366 1.00 0.00 O ATOM 680 OE2 GLU A 46 -9.774 -2.521 6.395 1.00 0.00 O ATOM 0 H GLU A 46 -10.671 2.936 4.046 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.425 1.962 5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.555 0.906 5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.726 0.621 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.973 -1.050 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.400 -0.571 5.600 1.00 0.00 H new ATOM 687 N ALA A 47 -8.302 1.661 2.241 1.00 0.00 N ATOM 688 CA ALA A 47 -7.421 1.282 1.107 1.00 0.00 C ATOM 689 C ALA A 47 -6.247 2.250 1.094 1.00 0.00 C ATOM 690 O ALA A 47 -5.126 1.890 0.801 1.00 0.00 O ATOM 691 CB ALA A 47 -8.195 1.394 -0.208 1.00 0.00 C ATOM 0 H ALA A 47 -9.117 2.219 1.985 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.072 0.255 1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.545 1.115 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.056 0.726 -0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.536 2.420 -0.343 1.00 0.00 H new ATOM 697 N TYR A 48 -6.506 3.481 1.434 1.00 0.00 N ATOM 698 CA TYR A 48 -5.425 4.488 1.474 1.00 0.00 C ATOM 699 C TYR A 48 -4.394 4.036 2.502 1.00 0.00 C ATOM 700 O TYR A 48 -3.209 4.238 2.350 1.00 0.00 O ATOM 701 CB TYR A 48 -6.023 5.835 1.865 1.00 0.00 C ATOM 702 CG TYR A 48 -5.379 6.927 1.054 1.00 0.00 C ATOM 703 CD1 TYR A 48 -4.162 7.484 1.463 1.00 0.00 C ATOM 704 CD2 TYR A 48 -6.003 7.383 -0.111 1.00 0.00 C ATOM 705 CE1 TYR A 48 -3.567 8.498 0.704 1.00 0.00 C ATOM 706 CE2 TYR A 48 -5.409 8.396 -0.871 1.00 0.00 C ATOM 707 CZ TYR A 48 -4.190 8.954 -0.464 1.00 0.00 C ATOM 708 OH TYR A 48 -3.601 9.952 -1.214 1.00 0.00 O ATOM 0 H TYR A 48 -7.430 3.830 1.687 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.944 4.590 0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.100 5.829 1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.868 6.018 2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.682 7.131 2.364 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.943 6.953 -0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.628 8.929 1.019 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.890 8.748 -1.772 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.627 9.903 -1.117 1.00 0.00 H new ATOM 718 N ALA A 49 -4.847 3.388 3.531 1.00 0.00 N ATOM 719 CA ALA A 49 -3.912 2.869 4.563 1.00 0.00 C ATOM 720 C ALA A 49 -3.332 1.557 4.038 1.00 0.00 C ATOM 721 O ALA A 49 -2.224 1.174 4.358 1.00 0.00 O ATOM 722 CB ALA A 49 -4.671 2.616 5.866 1.00 0.00 C ATOM 0 H ALA A 49 -5.833 3.193 3.705 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.117 3.588 4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.982 2.236 6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.114 3.548 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.459 1.883 5.692 1.00 0.00 H new ATOM 728 N TYR A 50 -4.084 0.878 3.214 1.00 0.00 N ATOM 729 CA TYR A 50 -3.608 -0.401 2.630 1.00 0.00 C ATOM 730 C TYR A 50 -2.299 -0.139 1.881 1.00 0.00 C ATOM 731 O TYR A 50 -1.311 -0.821 2.067 1.00 0.00 O ATOM 732 CB TYR A 50 -4.677 -0.906 1.659 1.00 0.00 C ATOM 733 CG TYR A 50 -4.266 -2.226 1.059 1.00 0.00 C ATOM 734 CD1 TYR A 50 -3.159 -2.300 0.206 1.00 0.00 C ATOM 735 CD2 TYR A 50 -5.007 -3.377 1.347 1.00 0.00 C ATOM 736 CE1 TYR A 50 -2.791 -3.527 -0.356 1.00 0.00 C ATOM 737 CE2 TYR A 50 -4.640 -4.602 0.786 1.00 0.00 C ATOM 738 CZ TYR A 50 -3.531 -4.679 -0.065 1.00 0.00 C ATOM 739 OH TYR A 50 -3.167 -5.889 -0.618 1.00 0.00 O ATOM 0 H TYR A 50 -5.018 1.162 2.920 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.434 -1.147 3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.627 -1.018 2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.833 -0.173 0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.589 -1.410 -0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.863 -3.318 2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.937 -3.585 -1.014 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.212 -5.491 1.009 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.784 -6.587 -0.313 1.00 0.00 H new ATOM 749 N ALA A 51 -2.297 0.852 1.034 1.00 0.00 N ATOM 750 CA ALA A 51 -1.069 1.189 0.257 1.00 0.00 C ATOM 751 C ALA A 51 -0.108 2.010 1.122 1.00 0.00 C ATOM 752 O ALA A 51 0.968 2.369 0.692 1.00 0.00 O ATOM 753 CB ALA A 51 -1.471 2.020 -0.964 1.00 0.00 C ATOM 0 H ALA A 51 -3.101 1.450 0.844 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.574 0.269 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.581 2.273 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.156 1.444 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.963 2.936 -0.635 1.00 0.00 H new ATOM 759 N ASP A 52 -0.494 2.328 2.329 1.00 0.00 N ATOM 760 CA ASP A 52 0.394 3.151 3.204 1.00 0.00 C ATOM 761 C ASP A 52 1.313 2.263 4.049 1.00 0.00 C ATOM 762 O ASP A 52 2.514 2.251 3.869 1.00 0.00 O ATOM 763 CB ASP A 52 -0.471 4.010 4.128 1.00 0.00 C ATOM 764 CG ASP A 52 0.151 5.400 4.258 1.00 0.00 C ATOM 765 OD1 ASP A 52 -0.146 6.240 3.424 1.00 0.00 O ATOM 766 OD2 ASP A 52 0.916 5.602 5.187 1.00 0.00 O ATOM 0 H ASP A 52 -1.383 2.055 2.747 1.00 0.00 H new ATOM 0 HA ASP A 52 1.016 3.783 2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.482 4.088 3.729 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.551 3.542 5.109 1.00 0.00 H new ATOM 771 N THR A 53 0.765 1.540 4.985 1.00 0.00 N ATOM 772 CA THR A 53 1.617 0.676 5.855 1.00 0.00 C ATOM 773 C THR A 53 2.500 -0.245 5.007 1.00 0.00 C ATOM 774 O THR A 53 3.459 -0.811 5.494 1.00 0.00 O ATOM 775 CB THR A 53 0.723 -0.168 6.768 1.00 0.00 C ATOM 776 OG1 THR A 53 1.526 -0.820 7.743 1.00 0.00 O ATOM 777 CG2 THR A 53 -0.022 -1.215 5.937 1.00 0.00 C ATOM 0 H THR A 53 -0.234 1.509 5.187 1.00 0.00 H new ATOM 0 HA THR A 53 2.262 1.316 6.457 1.00 0.00 H new ATOM 0 HB THR A 53 -0.001 0.479 7.264 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.439 -0.920 7.401 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.657 -1.813 6.590 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.639 -0.715 5.190 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.698 -1.863 5.438 1.00 0.00 H new ATOM 785 N LEU A 54 2.198 -0.407 3.747 1.00 0.00 N ATOM 786 CA LEU A 54 3.038 -1.295 2.899 1.00 0.00 C ATOM 787 C LEU A 54 4.512 -0.929 3.083 1.00 0.00 C ATOM 788 O LEU A 54 5.289 -1.690 3.625 1.00 0.00 O ATOM 789 CB LEU A 54 2.640 -1.126 1.433 1.00 0.00 C ATOM 790 CG LEU A 54 1.885 -2.372 0.970 1.00 0.00 C ATOM 791 CD1 LEU A 54 1.139 -2.072 -0.331 1.00 0.00 C ATOM 792 CD2 LEU A 54 2.883 -3.507 0.734 1.00 0.00 C ATOM 0 H LEU A 54 1.411 0.035 3.272 1.00 0.00 H new ATOM 0 HA LEU A 54 2.886 -2.333 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.014 -0.242 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.527 -0.974 0.818 1.00 0.00 H new ATOM 0 HG LEU A 54 1.167 -2.666 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.603 -2.963 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.429 -1.262 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.853 -1.777 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.349 -4.398 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.599 -3.208 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.413 -3.724 1.661 1.00 0.00 H new ATOM 804 N LYS A 55 4.898 0.233 2.642 1.00 0.00 N ATOM 805 CA LYS A 55 6.319 0.664 2.795 1.00 0.00 C ATOM 806 C LYS A 55 7.272 -0.497 2.488 1.00 0.00 C ATOM 807 O LYS A 55 8.387 -0.533 2.968 1.00 0.00 O ATOM 808 CB LYS A 55 6.557 1.141 4.230 1.00 0.00 C ATOM 809 CG LYS A 55 5.689 2.368 4.517 1.00 0.00 C ATOM 810 CD LYS A 55 5.799 3.361 3.358 1.00 0.00 C ATOM 811 CE LYS A 55 5.661 4.786 3.895 1.00 0.00 C ATOM 812 NZ LYS A 55 5.913 5.759 2.795 1.00 0.00 N ATOM 0 H LYS A 55 4.290 0.908 2.179 1.00 0.00 H new ATOM 0 HA LYS A 55 6.512 1.476 2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.319 0.343 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.609 1.387 4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.650 2.067 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.008 2.842 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.757 3.242 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.022 3.162 2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.663 4.936 4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.368 4.949 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.819 6.728 3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.874 5.621 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.222 5.608 2.033 1.00 0.00 H new ATOM 826 N LYS A 56 6.858 -1.441 1.688 1.00 0.00 N ATOM 827 CA LYS A 56 7.765 -2.578 1.361 1.00 0.00 C ATOM 828 C LYS A 56 8.942 -2.050 0.536 1.00 0.00 C ATOM 829 O LYS A 56 10.069 -2.476 0.691 1.00 0.00 O ATOM 830 CB LYS A 56 7.000 -3.626 0.550 1.00 0.00 C ATOM 831 CG LYS A 56 7.054 -4.972 1.276 1.00 0.00 C ATOM 832 CD LYS A 56 5.632 -5.490 1.495 1.00 0.00 C ATOM 833 CE LYS A 56 5.663 -7.007 1.686 1.00 0.00 C ATOM 834 NZ LYS A 56 4.780 -7.381 2.826 1.00 0.00 N ATOM 0 H LYS A 56 5.938 -1.475 1.249 1.00 0.00 H new ATOM 0 HA LYS A 56 8.132 -3.035 2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.964 -3.314 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.435 -3.720 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.628 -5.690 0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.564 -4.861 2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.191 -5.012 2.370 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.005 -5.233 0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.331 -7.506 0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.683 -7.340 1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.800 -8.413 2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.116 -6.915 3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.806 -7.077 2.625 1.00 0.00 H new ATOM 848 N ASP A 57 8.676 -1.119 -0.335 1.00 0.00 N ATOM 849 CA ASP A 57 9.753 -0.534 -1.184 1.00 0.00 C ATOM 850 C ASP A 57 9.098 0.381 -2.217 1.00 0.00 C ATOM 851 O ASP A 57 9.497 0.439 -3.362 1.00 0.00 O ATOM 852 CB ASP A 57 10.519 -1.653 -1.897 1.00 0.00 C ATOM 853 CG ASP A 57 12.017 -1.347 -1.865 1.00 0.00 C ATOM 854 OD1 ASP A 57 12.369 -0.250 -1.464 1.00 0.00 O ATOM 855 OD2 ASP A 57 12.788 -2.214 -2.244 1.00 0.00 O ATOM 0 H ASP A 57 7.746 -0.732 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 57 10.454 0.030 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.322 -2.609 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.177 -1.742 -2.928 1.00 0.00 H new ATOM 860 N ASN A 58 8.073 1.079 -1.811 1.00 0.00 N ATOM 861 CA ASN A 58 7.350 1.981 -2.748 1.00 0.00 C ATOM 862 C ASN A 58 7.911 3.400 -2.643 1.00 0.00 C ATOM 863 O ASN A 58 8.633 3.856 -3.508 1.00 0.00 O ATOM 864 CB ASN A 58 5.862 1.992 -2.391 1.00 0.00 C ATOM 865 CG ASN A 58 5.512 0.760 -1.544 1.00 0.00 C ATOM 866 OD1 ASN A 58 5.668 -0.358 -1.991 1.00 0.00 O ATOM 867 ND2 ASN A 58 5.048 0.917 -0.333 1.00 0.00 N ATOM 0 H ASN A 58 7.703 1.062 -0.861 1.00 0.00 H new ATOM 0 HA ASN A 58 7.481 1.621 -3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.619 2.901 -1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.262 1.999 -3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.818 0.101 0.235 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.916 1.855 0.045 1.00 0.00 H new ATOM 874 N GLY A 59 7.583 4.107 -1.594 1.00 0.00 N ATOM 875 CA GLY A 59 8.096 5.497 -1.444 1.00 0.00 C ATOM 876 C GLY A 59 6.933 6.478 -1.540 1.00 0.00 C ATOM 877 O GLY A 59 7.044 7.541 -2.117 1.00 0.00 O ATOM 0 H GLY A 59 6.983 3.781 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.602 5.608 -0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.832 5.711 -2.219 1.00 0.00 H new ATOM 881 N GLU A 60 5.820 6.115 -0.983 1.00 0.00 N ATOM 882 CA GLU A 60 4.618 6.996 -1.027 1.00 0.00 C ATOM 883 C GLU A 60 3.944 6.851 -2.388 1.00 0.00 C ATOM 884 O GLU A 60 4.498 6.283 -3.307 1.00 0.00 O ATOM 885 CB GLU A 60 5.022 8.454 -0.802 1.00 0.00 C ATOM 886 CG GLU A 60 6.003 8.540 0.370 1.00 0.00 C ATOM 887 CD GLU A 60 6.146 9.998 0.810 1.00 0.00 C ATOM 888 OE1 GLU A 60 5.128 10.653 0.963 1.00 0.00 O ATOM 889 OE2 GLU A 60 7.272 10.434 0.988 1.00 0.00 O ATOM 0 H GLU A 60 5.685 5.232 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 60 3.925 6.701 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.481 8.858 -1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.139 9.059 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.647 7.931 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.974 8.141 0.076 1.00 0.00 H new ATOM 896 N TYR A 61 2.746 7.344 -2.523 1.00 0.00 N ATOM 897 CA TYR A 61 2.038 7.214 -3.826 1.00 0.00 C ATOM 898 C TYR A 61 0.944 8.272 -3.945 1.00 0.00 C ATOM 899 O TYR A 61 0.628 8.972 -3.003 1.00 0.00 O ATOM 900 CB TYR A 61 1.383 5.838 -3.896 1.00 0.00 C ATOM 901 CG TYR A 61 0.584 5.614 -2.640 1.00 0.00 C ATOM 902 CD1 TYR A 61 1.203 5.061 -1.518 1.00 0.00 C ATOM 903 CD2 TYR A 61 -0.771 5.959 -2.593 1.00 0.00 C ATOM 904 CE1 TYR A 61 0.474 4.847 -0.354 1.00 0.00 C ATOM 905 CE2 TYR A 61 -1.505 5.745 -1.424 1.00 0.00 C ATOM 906 CZ TYR A 61 -0.882 5.188 -0.302 1.00 0.00 C ATOM 907 OH TYR A 61 -1.602 4.970 0.851 1.00 0.00 O ATOM 0 H TYR A 61 2.228 7.830 -1.791 1.00 0.00 H new ATOM 0 HA TYR A 61 2.758 7.345 -4.634 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.736 5.772 -4.771 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.143 5.064 -4.003 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.250 4.799 -1.554 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.249 6.390 -3.460 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.955 4.417 0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.552 6.009 -1.386 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.449 4.530 0.629 1.00 0.00 H new ATOM 917 N THR A 62 0.347 8.367 -5.100 1.00 0.00 N ATOM 918 CA THR A 62 -0.754 9.347 -5.304 1.00 0.00 C ATOM 919 C THR A 62 -2.050 8.563 -5.514 1.00 0.00 C ATOM 920 O THR A 62 -2.042 7.476 -6.056 1.00 0.00 O ATOM 921 CB THR A 62 -0.465 10.206 -6.536 1.00 0.00 C ATOM 922 OG1 THR A 62 -1.560 11.082 -6.767 1.00 0.00 O ATOM 923 CG2 THR A 62 -0.266 9.303 -7.755 1.00 0.00 C ATOM 0 H THR A 62 0.577 7.803 -5.918 1.00 0.00 H new ATOM 0 HA THR A 62 -0.841 10.003 -4.438 1.00 0.00 H new ATOM 0 HB THR A 62 0.440 10.790 -6.368 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.376 11.635 -7.555 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.060 9.916 -8.632 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.574 8.631 -7.577 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.169 8.718 -7.925 1.00 0.00 H new ATOM 931 N VAL A 63 -3.161 9.084 -5.076 1.00 0.00 N ATOM 932 CA VAL A 63 -4.437 8.335 -5.246 1.00 0.00 C ATOM 933 C VAL A 63 -5.209 8.855 -6.459 1.00 0.00 C ATOM 934 O VAL A 63 -5.378 10.044 -6.642 1.00 0.00 O ATOM 935 CB VAL A 63 -5.295 8.499 -3.992 1.00 0.00 C ATOM 936 CG1 VAL A 63 -5.892 9.908 -3.951 1.00 0.00 C ATOM 937 CG2 VAL A 63 -6.427 7.471 -4.014 1.00 0.00 C ATOM 0 H VAL A 63 -3.242 9.988 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.205 7.282 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.674 8.345 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.503 10.019 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.088 10.644 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.511 10.067 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.040 7.586 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.043 7.627 -4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.005 6.466 -4.038 1.00 0.00 H new ATOM 947 N ASP A 64 -5.694 7.963 -7.277 1.00 0.00 N ATOM 948 CA ASP A 64 -6.472 8.381 -8.467 1.00 0.00 C ATOM 949 C ASP A 64 -7.958 8.251 -8.149 1.00 0.00 C ATOM 950 O ASP A 64 -8.344 7.849 -7.070 1.00 0.00 O ATOM 951 CB ASP A 64 -6.120 7.477 -9.650 1.00 0.00 C ATOM 952 CG ASP A 64 -5.849 8.334 -10.887 1.00 0.00 C ATOM 953 OD1 ASP A 64 -4.713 8.745 -11.064 1.00 0.00 O ATOM 954 OD2 ASP A 64 -6.782 8.566 -11.638 1.00 0.00 O ATOM 0 H ASP A 64 -5.582 6.955 -7.168 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.236 9.414 -8.724 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.243 6.875 -9.413 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.938 6.784 -9.847 1.00 0.00 H new ATOM 959 N VAL A 65 -8.789 8.592 -9.081 1.00 0.00 N ATOM 960 CA VAL A 65 -10.259 8.497 -8.843 1.00 0.00 C ATOM 961 C VAL A 65 -10.968 8.112 -10.144 1.00 0.00 C ATOM 962 O VAL A 65 -11.116 8.916 -11.044 1.00 0.00 O ATOM 963 CB VAL A 65 -10.780 9.849 -8.356 1.00 0.00 C ATOM 964 CG1 VAL A 65 -12.309 9.854 -8.399 1.00 0.00 C ATOM 965 CG2 VAL A 65 -10.310 10.085 -6.919 1.00 0.00 C ATOM 0 H VAL A 65 -8.520 8.935 -10.003 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.457 7.736 -8.088 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.397 10.640 -9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.680 10.818 -8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.645 9.683 -9.422 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.694 9.064 -7.754 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.680 11.049 -6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.694 9.293 -6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.220 10.081 -6.887 1.00 0.00 H new ATOM 975 N ALA A 66 -11.410 6.888 -10.248 1.00 0.00 N ATOM 976 CA ALA A 66 -12.110 6.450 -11.488 1.00 0.00 C ATOM 977 C ALA A 66 -13.280 5.537 -11.116 1.00 0.00 C ATOM 978 O ALA A 66 -13.427 5.134 -9.978 1.00 0.00 O ATOM 979 CB ALA A 66 -11.133 5.683 -12.378 1.00 0.00 C ATOM 0 H ALA A 66 -11.316 6.173 -9.527 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.484 7.323 -12.023 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.643 5.362 -13.286 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.296 6.330 -12.642 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.761 4.810 -11.842 1.00 0.00 H new ATOM 985 N ASP A 67 -14.112 5.204 -12.066 1.00 0.00 N ATOM 986 CA ASP A 67 -15.267 4.312 -11.765 1.00 0.00 C ATOM 987 C ASP A 67 -16.240 5.020 -10.822 1.00 0.00 C ATOM 988 O ASP A 67 -16.867 4.398 -9.992 1.00 0.00 O ATOM 989 CB ASP A 67 -14.764 3.036 -11.113 1.00 0.00 C ATOM 990 CG ASP A 67 -15.615 1.849 -11.569 1.00 0.00 C ATOM 991 OD1 ASP A 67 -15.428 1.408 -12.691 1.00 0.00 O ATOM 992 OD2 ASP A 67 -16.437 1.400 -10.788 1.00 0.00 O ATOM 0 H ASP A 67 -14.041 5.511 -13.036 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.784 4.068 -12.693 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.720 2.869 -11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.807 3.130 -10.028 1.00 0.00 H new ATOM 997 N LYS A 68 -16.371 6.315 -10.952 1.00 0.00 N ATOM 998 CA LYS A 68 -17.307 7.081 -10.072 1.00 0.00 C ATOM 999 C LYS A 68 -16.681 7.277 -8.685 1.00 0.00 C ATOM 1000 O LYS A 68 -17.361 7.577 -7.723 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.658 6.339 -9.976 1.00 0.00 C ATOM 1002 CG LYS A 68 -18.746 5.491 -8.696 1.00 0.00 C ATOM 1003 CD LYS A 68 -19.454 4.171 -9.009 1.00 0.00 C ATOM 1004 CE LYS A 68 -20.915 4.253 -8.564 1.00 0.00 C ATOM 1005 NZ LYS A 68 -21.648 5.209 -9.441 1.00 0.00 N ATOM 0 H LYS A 68 -15.866 6.880 -11.635 1.00 0.00 H new ATOM 0 HA LYS A 68 -17.488 8.066 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.473 7.062 -9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.785 5.697 -10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.747 5.297 -8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.290 6.034 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -19.400 3.963 -10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -18.954 3.348 -8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -21.378 3.267 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -20.972 4.578 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.665 5.165 -9.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.300 6.174 -9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.491 4.956 -10.438 1.00 0.00 H new ATOM 1019 N GLY A 69 -15.392 7.110 -8.575 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.728 7.287 -7.253 1.00 0.00 C ATOM 1021 C GLY A 69 -14.839 5.993 -6.445 1.00 0.00 C ATOM 1022 O GLY A 69 -15.220 6.000 -5.292 1.00 0.00 O ATOM 0 H GLY A 69 -14.770 6.859 -9.343 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.680 7.551 -7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.193 8.109 -6.708 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.513 4.881 -7.045 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.600 3.594 -6.325 1.00 0.00 C ATOM 1028 C TYR A 70 -13.352 2.756 -6.619 1.00 0.00 C ATOM 1029 O TYR A 70 -12.860 2.042 -5.768 1.00 0.00 O ATOM 1030 CB TYR A 70 -15.837 2.847 -6.794 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.495 2.138 -5.630 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.595 2.775 -4.383 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -17.014 0.847 -5.799 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -17.212 2.118 -3.312 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -17.632 0.197 -4.727 1.00 0.00 C ATOM 1036 CZ TYR A 70 -17.732 0.830 -3.486 1.00 0.00 C ATOM 1037 OH TYR A 70 -18.338 0.179 -2.434 1.00 0.00 O ATOM 0 H TYR A 70 -14.189 4.816 -8.010 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.665 3.776 -5.252 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.541 3.544 -7.249 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.564 2.123 -7.562 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.197 3.770 -4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -16.936 0.355 -6.757 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.287 2.605 -2.351 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -18.033 -0.797 -4.859 1.00 0.00 H new ATOM 0 HH TYR A 70 -19.013 0.765 -2.032 1.00 0.00 H new ATOM 1047 N THR A 71 -12.837 2.835 -7.817 1.00 0.00 N ATOM 1048 CA THR A 71 -11.623 2.040 -8.163 1.00 0.00 C ATOM 1049 C THR A 71 -10.379 2.927 -8.069 1.00 0.00 C ATOM 1050 O THR A 71 -9.587 3.017 -8.986 1.00 0.00 O ATOM 1051 CB THR A 71 -11.768 1.473 -9.582 1.00 0.00 C ATOM 1052 OG1 THR A 71 -10.829 0.423 -9.768 1.00 0.00 O ATOM 1053 CG2 THR A 71 -11.520 2.570 -10.622 1.00 0.00 C ATOM 0 H THR A 71 -13.204 3.416 -8.571 1.00 0.00 H new ATOM 0 HA THR A 71 -11.517 1.213 -7.461 1.00 0.00 H new ATOM 0 HB THR A 71 -12.781 1.090 -9.709 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.192 0.418 -9.023 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.626 2.153 -11.623 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.245 3.372 -10.484 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.512 2.967 -10.499 1.00 0.00 H new ATOM 1061 N LEU A 72 -10.200 3.577 -6.958 1.00 0.00 N ATOM 1062 CA LEU A 72 -9.009 4.458 -6.787 1.00 0.00 C ATOM 1063 C LEU A 72 -7.741 3.698 -7.191 1.00 0.00 C ATOM 1064 O LEU A 72 -7.456 2.634 -6.683 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.892 4.891 -5.323 1.00 0.00 C ATOM 1066 CG LEU A 72 -9.164 3.696 -4.405 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -7.846 3.185 -3.824 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -10.086 4.137 -3.266 1.00 0.00 C ATOM 0 H LEU A 72 -10.828 3.538 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.124 5.338 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.896 5.290 -5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.602 5.691 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.639 2.898 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.042 2.335 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.187 2.876 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.368 3.980 -3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.283 3.290 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.606 4.934 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.026 4.502 -3.680 1.00 0.00 H new ATOM 1080 N ASN A 73 -6.974 4.241 -8.097 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.722 3.553 -8.523 1.00 0.00 C ATOM 1082 C ASN A 73 -4.525 4.228 -7.859 1.00 0.00 C ATOM 1083 O ASN A 73 -4.201 5.364 -8.141 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.579 3.636 -10.037 1.00 0.00 C ATOM 1085 CG ASN A 73 -6.794 2.993 -10.706 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -7.449 2.053 -10.080 1.00 0.00 O flip ATOM 1087 ND2 ASN A 73 -7.150 3.345 -11.813 1.00 0.00 N flip ATOM 0 H ASN A 73 -7.160 5.131 -8.560 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.764 2.506 -8.224 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.490 4.677 -10.347 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.667 3.130 -10.354 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.639 4.079 -12.303 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.960 2.906 -12.252 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.866 3.537 -6.972 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.692 4.139 -6.286 1.00 0.00 C ATOM 1096 C ILE A 74 -1.460 4.020 -7.183 1.00 0.00 C ATOM 1097 O ILE A 74 -1.335 3.097 -7.961 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.431 3.391 -4.980 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.569 3.671 -3.995 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -1.104 3.855 -4.384 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -4.031 2.356 -3.364 1.00 0.00 C ATOM 0 H ILE A 74 -4.090 2.582 -6.693 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.894 5.190 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.381 2.320 -5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.233 4.360 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.401 4.152 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.917 3.321 -3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.297 3.649 -5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.149 4.926 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.841 2.554 -2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.384 1.682 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.198 1.894 -2.835 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.545 4.942 -7.074 1.00 0.00 N ATOM 1114 CA LYS A 75 0.683 4.876 -7.914 1.00 0.00 C ATOM 1115 C LYS A 75 1.891 5.292 -7.071 1.00 0.00 C ATOM 1116 O LYS A 75 2.156 6.463 -6.890 1.00 0.00 O ATOM 1117 CB LYS A 75 0.541 5.819 -9.102 1.00 0.00 C ATOM 1118 CG LYS A 75 1.869 5.896 -9.860 1.00 0.00 C ATOM 1119 CD LYS A 75 1.703 5.264 -11.244 1.00 0.00 C ATOM 1120 CE LYS A 75 2.782 5.803 -12.184 1.00 0.00 C ATOM 1121 NZ LYS A 75 2.597 7.270 -12.363 1.00 0.00 N ATOM 0 H LYS A 75 -0.594 5.739 -6.439 1.00 0.00 H new ATOM 0 HA LYS A 75 0.823 3.858 -8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.248 5.467 -9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.249 6.811 -8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.184 6.935 -9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.649 5.377 -9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.778 4.179 -11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.714 5.489 -11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.771 5.598 -11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.725 5.298 -13.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.918 7.547 -13.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.591 7.509 -12.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.153 7.780 -11.647 1.00 0.00 H new ATOM 1135 N PHE A 76 2.623 4.344 -6.550 1.00 0.00 N ATOM 1136 CA PHE A 76 3.811 4.696 -5.717 1.00 0.00 C ATOM 1137 C PHE A 76 4.931 5.211 -6.623 1.00 0.00 C ATOM 1138 O PHE A 76 5.070 4.795 -7.756 1.00 0.00 O ATOM 1139 CB PHE A 76 4.308 3.466 -4.938 1.00 0.00 C ATOM 1140 CG PHE A 76 3.145 2.677 -4.382 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.475 1.739 -5.178 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.746 2.881 -3.059 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.404 1.010 -4.649 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.676 2.153 -2.529 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.004 1.218 -3.323 1.00 0.00 C ATOM 0 H PHE A 76 2.451 3.345 -6.664 1.00 0.00 H new ATOM 0 HA PHE A 76 3.524 5.469 -5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.904 2.831 -5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.960 3.784 -4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.785 1.578 -6.200 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.265 3.602 -2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.886 0.288 -5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.368 2.313 -1.506 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.177 0.657 -2.914 1.00 0.00 H new ATOM 1155 N ALA A 77 5.729 6.119 -6.130 1.00 0.00 N ATOM 1156 CA ALA A 77 6.840 6.667 -6.960 1.00 0.00 C ATOM 1157 C ALA A 77 7.977 5.647 -7.028 1.00 0.00 C ATOM 1158 O ALA A 77 8.206 5.027 -8.047 1.00 0.00 O ATOM 1159 CB ALA A 77 7.356 7.963 -6.331 1.00 0.00 C ATOM 0 H ALA A 77 5.660 6.505 -5.188 1.00 0.00 H new ATOM 0 HA ALA A 77 6.474 6.872 -7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.168 8.364 -6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.546 8.691 -6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.722 7.759 -5.325 1.00 0.00 H new ATOM 1165 N GLY A 78 8.691 5.467 -5.952 1.00 0.00 N ATOM 1166 CA GLY A 78 9.813 4.486 -5.957 1.00 0.00 C ATOM 1167 C GLY A 78 10.881 4.923 -4.952 1.00 0.00 C ATOM 1168 O GLY A 78 11.947 4.329 -4.955 1.00 0.00 O ATOM 1169 OXT GLY A 78 10.615 5.844 -4.198 1.00 0.00 O ATOM 0 H GLY A 78 8.546 5.957 -5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.443 3.493 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.245 4.417 -6.955 1.00 0.00 H new TER 1173 GLY A 78