USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 142:sc= -0.183 (180deg=-1.2) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0327 (180deg=-0.414) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0491 K(o=-0.049,f=-2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= -0.0218 (180deg=-0.385) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.640 21.030 -26.452 1.00 1.00 N ATOM 2 CA MET A 1 -21.253 19.637 -26.103 1.00 1.00 C ATOM 3 C MET A 1 -22.418 18.710 -26.444 1.00 1.00 C ATOM 4 O MET A 1 -23.484 18.798 -25.834 1.00 1.00 O ATOM 5 CB MET A 1 -20.939 19.570 -24.602 1.00 1.00 C ATOM 6 CG MET A 1 -19.655 20.350 -24.305 1.00 1.00 C ATOM 7 SD MET A 1 -19.354 20.364 -22.519 1.00 1.00 S ATOM 8 CE MET A 1 -19.070 18.588 -22.313 1.00 1.00 C ATOM 0 H1 MET A 1 -20.784 21.609 -26.569 1.00 1.00 H new ATOM 0 H2 MET A 1 -22.181 21.028 -27.340 1.00 1.00 H new ATOM 0 H3 MET A 1 -22.226 21.429 -25.691 1.00 1.00 H new ATOM 0 HA MET A 1 -20.371 19.329 -26.664 1.00 1.00 H new ATOM 0 HB2 MET A 1 -21.768 19.985 -24.029 1.00 1.00 H new ATOM 0 HB3 MET A 1 -20.825 18.532 -24.291 1.00 1.00 H new ATOM 0 HG2 MET A 1 -18.812 19.893 -24.823 1.00 1.00 H new ATOM 0 HG3 MET A 1 -19.743 21.371 -24.677 1.00 1.00 H new ATOM 0 HE1 MET A 1 -18.276 18.429 -21.583 1.00 1.00 H new ATOM 0 HE2 MET A 1 -19.986 18.111 -21.963 1.00 1.00 H new ATOM 0 HE3 MET A 1 -18.777 18.153 -23.269 1.00 1.00 H new ATOM 20 N ARG A 2 -22.223 17.822 -27.423 1.00 1.00 N ATOM 21 CA ARG A 2 -23.286 16.893 -27.816 1.00 1.00 C ATOM 22 C ARG A 2 -23.121 15.580 -27.060 1.00 1.00 C ATOM 23 O ARG A 2 -22.007 15.075 -26.904 1.00 1.00 O ATOM 24 CB ARG A 2 -23.262 16.639 -29.329 1.00 1.00 C ATOM 25 CG ARG A 2 -23.631 17.931 -30.070 1.00 1.00 C ATOM 26 CD ARG A 2 -23.555 17.706 -31.582 1.00 1.00 C ATOM 27 NE ARG A 2 -22.165 17.496 -31.970 1.00 1.00 N ATOM 28 CZ ARG A 2 -21.817 17.234 -33.224 1.00 1.00 C ATOM 29 NH1 ARG A 2 -22.721 17.154 -34.158 1.00 1.00 N ATOM 30 NH2 ARG A 2 -20.560 17.057 -33.523 1.00 1.00 N ATOM 0 H ARG A 2 -21.355 17.727 -27.950 1.00 1.00 H new ATOM 0 HA ARG A 2 -24.248 17.339 -27.565 1.00 1.00 H new ATOM 0 HB2 ARG A 2 -22.272 16.301 -29.636 1.00 1.00 H new ATOM 0 HB3 ARG A 2 -23.964 15.846 -29.587 1.00 1.00 H new ATOM 0 HG2 ARG A 2 -24.636 18.246 -29.791 1.00 1.00 H new ATOM 0 HG3 ARG A 2 -22.953 18.733 -29.779 1.00 1.00 H new ATOM 0 HD2 ARG A 2 -24.157 16.842 -31.863 1.00 1.00 H new ATOM 0 HD3 ARG A 2 -23.966 18.566 -32.110 1.00 1.00 H new ATOM 0 HE ARG A 2 -21.438 17.552 -31.256 1.00 1.00 H new ATOM 0 HH11 ARG A 2 -23.705 17.293 -33.929 1.00 1.00 H new ATOM 0 HH12 ARG A 2 -22.445 16.952 -35.119 1.00 1.00 H new ATOM 0 HH21 ARG A 2 -19.849 17.120 -32.795 1.00 1.00 H new ATOM 0 HH22 ARG A 2 -20.288 16.855 -34.485 1.00 1.00 H new ATOM 44 N ASP A 3 -24.236 15.050 -26.576 1.00 1.00 N ATOM 45 CA ASP A 3 -24.229 13.806 -25.814 1.00 1.00 C ATOM 46 C ASP A 3 -24.210 12.590 -26.748 1.00 1.00 C ATOM 47 O ASP A 3 -24.690 12.660 -27.882 1.00 1.00 O ATOM 48 CB ASP A 3 -25.460 13.773 -24.904 1.00 1.00 C ATOM 49 CG ASP A 3 -26.738 13.835 -25.738 1.00 1.00 C ATOM 50 OD1 ASP A 3 -26.645 13.667 -26.943 1.00 1.00 O ATOM 51 OD2 ASP A 3 -27.791 14.053 -25.159 1.00 1.00 O ATOM 0 H ASP A 3 -25.161 15.463 -26.697 1.00 1.00 H new ATOM 0 HA ASP A 3 -23.326 13.763 -25.205 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -25.453 12.863 -24.304 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -25.430 14.613 -24.210 1.00 1.00 H new ATOM 56 N MET A 4 -23.644 11.481 -26.261 1.00 1.00 N ATOM 57 CA MET A 4 -23.555 10.249 -27.054 1.00 1.00 C ATOM 58 C MET A 4 -23.254 9.050 -26.155 1.00 1.00 C ATOM 59 O MET A 4 -23.725 7.940 -26.407 1.00 1.00 O ATOM 60 CB MET A 4 -22.457 10.383 -28.121 1.00 1.00 C ATOM 61 CG MET A 4 -22.414 9.125 -28.995 1.00 1.00 C ATOM 62 SD MET A 4 -21.154 9.327 -30.282 1.00 1.00 S ATOM 63 CE MET A 4 -19.734 8.746 -29.320 1.00 1.00 C ATOM 0 H MET A 4 -23.242 11.410 -25.326 1.00 1.00 H new ATOM 0 HA MET A 4 -24.515 10.089 -27.544 1.00 1.00 H new ATOM 0 HB2 MET A 4 -22.647 11.259 -28.741 1.00 1.00 H new ATOM 0 HB3 MET A 4 -21.490 10.535 -27.641 1.00 1.00 H new ATOM 0 HG2 MET A 4 -22.188 8.252 -28.383 1.00 1.00 H new ATOM 0 HG3 MET A 4 -23.389 8.952 -29.450 1.00 1.00 H new ATOM 0 HE1 MET A 4 -18.835 8.789 -29.936 1.00 1.00 H new ATOM 0 HE2 MET A 4 -19.604 9.381 -28.444 1.00 1.00 H new ATOM 0 HE3 MET A 4 -19.907 7.718 -29.001 1.00 1.00 H new ATOM 73 N THR A 5 -22.471 9.278 -25.096 1.00 1.00 N ATOM 74 CA THR A 5 -22.119 8.206 -24.156 1.00 1.00 C ATOM 75 C THR A 5 -22.314 8.670 -22.719 1.00 1.00 C ATOM 76 O THR A 5 -22.368 9.870 -22.442 1.00 1.00 O ATOM 77 CB THR A 5 -20.661 7.773 -24.350 1.00 1.00 C ATOM 78 OG1 THR A 5 -19.798 8.859 -24.047 1.00 1.00 O ATOM 79 CG2 THR A 5 -20.426 7.329 -25.792 1.00 1.00 C ATOM 0 H THR A 5 -22.071 10.188 -24.868 1.00 1.00 H new ATOM 0 HA THR A 5 -22.776 7.359 -24.355 1.00 1.00 H new ATOM 0 HB THR A 5 -20.452 6.937 -23.682 1.00 1.00 H new ATOM 0 HG1 THR A 5 -18.866 8.581 -24.170 1.00 1.00 H new ATOM 0 HG21 THR A 5 -19.387 7.025 -25.914 1.00 1.00 H new ATOM 0 HG22 THR A 5 -21.080 6.489 -26.025 1.00 1.00 H new ATOM 0 HG23 THR A 5 -20.644 8.156 -26.467 1.00 1.00 H new ATOM 87 N GLU A 6 -22.422 7.708 -21.807 1.00 1.00 N ATOM 88 CA GLU A 6 -22.617 8.018 -20.396 1.00 1.00 C ATOM 89 C GLU A 6 -22.257 6.811 -19.523 1.00 1.00 C ATOM 90 O GLU A 6 -22.140 5.689 -20.018 1.00 1.00 O ATOM 91 CB GLU A 6 -24.072 8.447 -20.165 1.00 1.00 C ATOM 92 CG GLU A 6 -25.016 7.245 -20.304 1.00 1.00 C ATOM 93 CD GLU A 6 -26.471 7.710 -20.226 1.00 1.00 C ATOM 94 OE1 GLU A 6 -26.781 8.728 -20.823 1.00 1.00 O ATOM 95 OE2 GLU A 6 -27.254 7.035 -19.575 1.00 1.00 O ATOM 0 H GLU A 6 -22.378 6.711 -22.020 1.00 1.00 H new ATOM 0 HA GLU A 6 -21.957 8.838 -20.114 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -24.175 8.885 -19.172 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -24.348 9.219 -20.884 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -24.838 6.740 -21.253 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -24.814 6.521 -19.515 1.00 1.00 H new ATOM 102 N GLU A 7 -22.066 7.050 -18.225 1.00 1.00 N ATOM 103 CA GLU A 7 -21.707 5.978 -17.299 1.00 1.00 C ATOM 104 C GLU A 7 -22.957 5.295 -16.756 1.00 1.00 C ATOM 105 O GLU A 7 -23.740 5.906 -16.029 1.00 1.00 O ATOM 106 CB GLU A 7 -20.899 6.552 -16.127 1.00 1.00 C ATOM 107 CG GLU A 7 -19.541 7.077 -16.620 1.00 1.00 C ATOM 108 CD GLU A 7 -19.694 8.475 -17.217 1.00 1.00 C ATOM 109 OE1 GLU A 7 -20.819 8.930 -17.336 1.00 1.00 O ATOM 110 OE2 GLU A 7 -18.678 9.067 -17.550 1.00 1.00 O ATOM 0 H GLU A 7 -22.153 7.970 -17.794 1.00 1.00 H new ATOM 0 HA GLU A 7 -21.108 5.245 -17.839 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -21.458 7.359 -15.652 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -20.746 5.782 -15.371 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -18.832 7.104 -15.792 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -19.132 6.398 -17.368 1.00 1.00 H new ATOM 117 N THR A 8 -23.145 4.018 -17.107 1.00 1.00 N ATOM 118 CA THR A 8 -24.311 3.260 -16.639 1.00 1.00 C ATOM 119 C THR A 8 -23.855 1.996 -15.918 1.00 1.00 C ATOM 120 O THR A 8 -23.041 1.231 -16.438 1.00 1.00 O ATOM 121 CB THR A 8 -25.211 2.900 -17.829 1.00 1.00 C ATOM 122 OG1 THR A 8 -25.501 4.077 -18.570 1.00 1.00 O ATOM 123 CG2 THR A 8 -26.523 2.295 -17.321 1.00 1.00 C ATOM 0 H THR A 8 -22.511 3.491 -17.708 1.00 1.00 H new ATOM 0 HA THR A 8 -24.881 3.874 -15.941 1.00 1.00 H new ATOM 0 HB THR A 8 -24.697 2.177 -18.463 1.00 1.00 H new ATOM 0 HG1 THR A 8 -26.074 3.851 -19.332 1.00 1.00 H new ATOM 0 HG21 THR A 8 -27.159 2.041 -18.169 1.00 1.00 H new ATOM 0 HG22 THR A 8 -26.309 1.395 -16.745 1.00 1.00 H new ATOM 0 HG23 THR A 8 -27.036 3.018 -16.687 1.00 1.00 H new ATOM 131 N ARG A 9 -24.383 1.779 -14.715 1.00 1.00 N ATOM 132 CA ARG A 9 -24.024 0.596 -13.936 1.00 1.00 C ATOM 133 C ARG A 9 -24.929 -0.558 -14.343 1.00 1.00 C ATOM 134 O ARG A 9 -25.723 -1.058 -13.545 1.00 1.00 O ATOM 135 CB ARG A 9 -24.169 0.876 -12.437 1.00 1.00 C ATOM 136 CG ARG A 9 -23.171 1.958 -12.009 1.00 1.00 C ATOM 137 CD ARG A 9 -23.378 2.299 -10.532 1.00 1.00 C ATOM 138 NE ARG A 9 -23.056 1.143 -9.697 1.00 1.00 N ATOM 139 CZ ARG A 9 -23.211 1.174 -8.376 1.00 1.00 C ATOM 140 NH1 ARG A 9 -23.655 2.249 -7.789 1.00 1.00 N ATOM 141 NH2 ARG A 9 -22.913 0.129 -7.659 1.00 1.00 N ATOM 0 H ARG A 9 -25.054 2.400 -14.262 1.00 1.00 H new ATOM 0 HA ARG A 9 -22.984 0.336 -14.134 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -25.186 1.199 -12.215 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -23.994 -0.038 -11.869 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -22.151 1.610 -12.172 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -23.304 2.851 -12.620 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -22.748 3.144 -10.255 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -24.411 2.603 -10.363 1.00 1.00 H new ATOM 0 HE ARG A 9 -22.704 0.293 -10.137 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -23.886 3.074 -8.343 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -23.771 2.266 -6.776 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -22.560 -0.715 -8.110 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -23.032 0.154 -6.646 1.00 1.00 H new ATOM 155 N LYS A 10 -24.813 -0.960 -15.610 1.00 1.00 N ATOM 156 CA LYS A 10 -25.631 -2.041 -16.139 1.00 1.00 C ATOM 157 C LYS A 10 -25.315 -3.340 -15.405 1.00 1.00 C ATOM 158 O LYS A 10 -26.214 -4.123 -15.099 1.00 1.00 O ATOM 159 CB LYS A 10 -25.401 -2.201 -17.659 1.00 1.00 C ATOM 160 CG LYS A 10 -25.987 -0.985 -18.400 1.00 1.00 C ATOM 161 CD LYS A 10 -25.881 -1.173 -19.924 1.00 1.00 C ATOM 162 CE LYS A 10 -24.423 -1.054 -20.380 1.00 1.00 C ATOM 163 NZ LYS A 10 -24.380 -0.868 -21.861 1.00 1.00 N ATOM 0 H LYS A 10 -24.163 -0.553 -16.282 1.00 1.00 H new ATOM 0 HA LYS A 10 -26.682 -1.798 -15.980 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -24.335 -2.288 -17.869 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -25.872 -3.118 -18.014 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -27.031 -0.849 -18.117 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -25.456 -0.081 -18.102 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -26.277 -2.149 -20.204 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -26.489 -0.424 -20.432 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -23.942 -0.212 -19.883 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -23.868 -1.949 -20.099 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -23.391 -0.787 -22.172 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -24.824 -1.685 -22.327 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -24.895 -0.002 -22.117 1.00 1.00 H new ATOM 177 N ASP A 11 -24.032 -3.565 -15.127 1.00 1.00 N ATOM 178 CA ASP A 11 -23.602 -4.782 -14.436 1.00 1.00 C ATOM 179 C ASP A 11 -23.015 -4.471 -13.057 1.00 1.00 C ATOM 180 O ASP A 11 -22.990 -3.318 -12.618 1.00 1.00 O ATOM 181 CB ASP A 11 -22.571 -5.495 -15.306 1.00 1.00 C ATOM 182 CG ASP A 11 -23.264 -6.042 -16.553 1.00 1.00 C ATOM 183 OD1 ASP A 11 -24.486 -6.073 -16.561 1.00 1.00 O ATOM 184 OD2 ASP A 11 -22.568 -6.409 -17.485 1.00 1.00 O ATOM 0 H ASP A 11 -23.275 -2.925 -15.368 1.00 1.00 H new ATOM 0 HA ASP A 11 -24.468 -5.424 -14.276 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -21.776 -4.805 -15.589 1.00 1.00 H new ATOM 0 HB3 ASP A 11 -22.105 -6.307 -14.748 1.00 1.00 H new ATOM 189 N LEU A 12 -22.563 -5.522 -12.376 1.00 1.00 N ATOM 190 CA LEU A 12 -21.994 -5.387 -11.041 1.00 1.00 C ATOM 191 C LEU A 12 -20.764 -4.473 -11.074 1.00 1.00 C ATOM 192 O LEU A 12 -20.040 -4.454 -12.070 1.00 1.00 O ATOM 193 CB LEU A 12 -21.582 -6.767 -10.510 1.00 1.00 C ATOM 194 CG LEU A 12 -22.689 -7.789 -10.785 1.00 1.00 C ATOM 195 CD1 LEU A 12 -22.310 -9.122 -10.140 1.00 1.00 C ATOM 196 CD2 LEU A 12 -24.011 -7.298 -10.185 1.00 1.00 C ATOM 0 H LEU A 12 -22.581 -6.478 -12.730 1.00 1.00 H new ATOM 0 HA LEU A 12 -22.747 -4.949 -10.386 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -20.655 -7.086 -10.986 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -21.387 -6.710 -9.439 1.00 1.00 H new ATOM 0 HG LEU A 12 -22.806 -7.914 -11.861 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -23.094 -9.855 -10.332 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -21.370 -9.477 -10.563 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -22.195 -8.986 -9.065 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -24.795 -8.029 -10.384 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -23.897 -7.172 -9.108 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -24.283 -6.343 -10.636 1.00 1.00 H new ATOM 208 N PRO A 13 -20.512 -3.723 -10.023 1.00 1.00 N ATOM 209 CA PRO A 13 -19.348 -2.801 -9.963 1.00 1.00 C ATOM 210 C PRO A 13 -18.095 -3.410 -10.616 1.00 1.00 C ATOM 211 O PRO A 13 -17.431 -4.259 -10.016 1.00 1.00 O ATOM 212 CB PRO A 13 -19.131 -2.574 -8.458 1.00 1.00 C ATOM 213 CG PRO A 13 -20.461 -2.843 -7.806 1.00 1.00 C ATOM 214 CD PRO A 13 -21.307 -3.671 -8.789 1.00 1.00 C ATOM 0 HA PRO A 13 -19.531 -1.876 -10.510 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -18.363 -3.242 -8.069 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -18.798 -1.555 -8.260 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -20.325 -3.384 -6.869 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -20.964 -1.907 -7.563 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -21.498 -4.671 -8.400 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -22.277 -3.206 -8.964 1.00 1.00 H new ATOM 222 N PRO A 14 -17.763 -3.000 -11.819 1.00 1.00 N ATOM 223 CA PRO A 14 -16.573 -3.525 -12.544 1.00 1.00 C ATOM 224 C PRO A 14 -15.287 -2.826 -12.106 1.00 1.00 C ATOM 225 O PRO A 14 -14.204 -3.134 -12.599 1.00 1.00 O ATOM 226 CB PRO A 14 -16.902 -3.229 -14.012 1.00 1.00 C ATOM 227 CG PRO A 14 -17.761 -2.000 -13.980 1.00 1.00 C ATOM 228 CD PRO A 14 -18.479 -1.993 -12.623 1.00 1.00 C ATOM 0 HA PRO A 14 -16.392 -4.582 -12.350 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -15.995 -3.061 -14.593 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -17.427 -4.065 -14.475 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -17.155 -1.102 -14.101 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -18.481 -2.011 -14.798 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -18.435 -1.009 -12.156 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -19.533 -2.248 -12.731 1.00 1.00 H new ATOM 236 N GLU A 15 -15.422 -1.888 -11.172 1.00 1.00 N ATOM 237 CA GLU A 15 -14.269 -1.149 -10.665 1.00 1.00 C ATOM 238 C GLU A 15 -13.229 -2.124 -10.119 1.00 1.00 C ATOM 239 O GLU A 15 -12.030 -1.849 -10.141 1.00 1.00 O ATOM 240 CB GLU A 15 -14.717 -0.188 -9.557 1.00 1.00 C ATOM 241 CG GLU A 15 -13.523 0.627 -9.050 1.00 1.00 C ATOM 242 CD GLU A 15 -13.993 1.639 -8.009 1.00 1.00 C ATOM 243 OE1 GLU A 15 -15.192 1.841 -7.907 1.00 1.00 O ATOM 244 OE2 GLU A 15 -13.147 2.204 -7.333 1.00 1.00 O ATOM 0 H GLU A 15 -16.313 -1.623 -10.753 1.00 1.00 H new ATOM 0 HA GLU A 15 -13.825 -0.574 -11.478 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -15.489 0.481 -9.936 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -15.159 -0.750 -8.734 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -12.777 -0.037 -8.614 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -13.044 1.143 -9.882 1.00 1.00 H new ATOM 251 N ALA A 16 -13.706 -3.268 -9.638 1.00 1.00 N ATOM 252 CA ALA A 16 -12.826 -4.292 -9.093 1.00 1.00 C ATOM 253 C ALA A 16 -11.841 -4.766 -10.156 1.00 1.00 C ATOM 254 O ALA A 16 -10.665 -4.999 -9.870 1.00 1.00 O ATOM 255 CB ALA A 16 -13.666 -5.472 -8.602 1.00 1.00 C ATOM 0 H ALA A 16 -14.697 -3.508 -9.615 1.00 1.00 H new ATOM 0 HA ALA A 16 -12.263 -3.871 -8.260 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -13.010 -6.241 -8.193 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -14.353 -5.132 -7.827 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -14.234 -5.886 -9.435 1.00 1.00 H new ATOM 261 N LEU A 17 -12.323 -4.891 -11.388 1.00 1.00 N ATOM 262 CA LEU A 17 -11.473 -5.320 -12.491 1.00 1.00 C ATOM 263 C LEU A 17 -10.370 -4.297 -12.725 1.00 1.00 C ATOM 264 O LEU A 17 -9.208 -4.653 -12.921 1.00 1.00 O ATOM 265 CB LEU A 17 -12.318 -5.480 -13.756 1.00 1.00 C ATOM 266 CG LEU A 17 -13.257 -6.692 -13.596 1.00 1.00 C ATOM 267 CD1 LEU A 17 -14.490 -6.506 -14.482 1.00 1.00 C ATOM 268 CD2 LEU A 17 -12.528 -7.972 -14.020 1.00 1.00 C ATOM 0 H LEU A 17 -13.292 -4.703 -11.646 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.016 -6.278 -12.242 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -12.900 -4.576 -13.934 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.672 -5.619 -14.623 1.00 1.00 H new ATOM 0 HG LEU A 17 -13.560 -6.771 -12.552 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -15.153 -7.364 -14.368 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -15.017 -5.599 -14.187 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -14.180 -6.423 -15.524 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -13.196 -8.826 -13.905 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.222 -7.888 -15.063 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -11.647 -8.113 -13.394 1.00 1.00 H new ATOM 280 N ARG A 18 -10.740 -3.024 -12.684 1.00 1.00 N ATOM 281 CA ARG A 18 -9.772 -1.957 -12.869 1.00 1.00 C ATOM 282 C ARG A 18 -8.796 -1.942 -11.696 1.00 1.00 C ATOM 283 O ARG A 18 -7.597 -1.714 -11.871 1.00 1.00 O ATOM 284 CB ARG A 18 -10.481 -0.601 -12.991 1.00 1.00 C ATOM 285 CG ARG A 18 -9.468 0.495 -13.368 1.00 1.00 C ATOM 286 CD ARG A 18 -9.272 0.534 -14.885 1.00 1.00 C ATOM 287 NE ARG A 18 -8.276 1.541 -15.224 1.00 1.00 N ATOM 288 CZ ARG A 18 -8.616 2.815 -15.404 1.00 1.00 C ATOM 289 NH1 ARG A 18 -9.859 3.183 -15.283 1.00 1.00 N ATOM 290 NH2 ARG A 18 -7.714 3.701 -15.695 1.00 1.00 N ATOM 0 H ARG A 18 -11.697 -2.709 -12.525 1.00 1.00 H new ATOM 0 HA ARG A 18 -9.220 -2.136 -13.792 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -11.264 -0.658 -13.747 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -10.966 -0.350 -12.048 1.00 1.00 H new ATOM 0 HG2 ARG A 18 -9.821 1.464 -13.015 1.00 1.00 H new ATOM 0 HG3 ARG A 18 -8.515 0.304 -12.876 1.00 1.00 H new ATOM 0 HD2 ARG A 18 -8.952 -0.444 -15.246 1.00 1.00 H new ATOM 0 HD3 ARG A 18 -10.217 0.762 -15.378 1.00 1.00 H new ATOM 0 HE ARG A 18 -7.299 1.265 -15.325 1.00 1.00 H new ATOM 0 HH11 ARG A 18 -10.574 2.494 -15.050 1.00 1.00 H new ATOM 0 HH12 ARG A 18 -10.117 4.160 -15.421 1.00 1.00 H new ATOM 0 HH21 ARG A 18 -6.737 3.423 -15.787 1.00 1.00 H new ATOM 0 HH22 ARG A 18 -7.982 4.676 -15.832 1.00 1.00 H new ATOM 304 N ALA A 19 -9.319 -2.190 -10.496 1.00 1.00 N ATOM 305 CA ALA A 19 -8.481 -2.209 -9.303 1.00 1.00 C ATOM 306 C ALA A 19 -7.427 -3.302 -9.442 1.00 1.00 C ATOM 307 O ALA A 19 -6.272 -3.125 -9.050 1.00 1.00 O ATOM 308 CB ALA A 19 -9.343 -2.468 -8.066 1.00 1.00 C ATOM 0 H ALA A 19 -10.307 -2.378 -10.327 1.00 1.00 H new ATOM 0 HA ALA A 19 -7.987 -1.244 -9.192 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -8.711 -2.481 -7.178 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -10.088 -1.678 -7.970 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -9.846 -3.430 -8.168 1.00 1.00 H new ATOM 314 N LEU A 20 -7.832 -4.423 -10.027 1.00 1.00 N ATOM 315 CA LEU A 20 -6.916 -5.536 -10.239 1.00 1.00 C ATOM 316 C LEU A 20 -5.778 -5.099 -11.157 1.00 1.00 C ATOM 317 O LEU A 20 -4.614 -5.427 -10.926 1.00 1.00 O ATOM 318 CB LEU A 20 -7.676 -6.722 -10.858 1.00 1.00 C ATOM 319 CG LEU A 20 -6.708 -7.864 -11.189 1.00 1.00 C ATOM 320 CD1 LEU A 20 -5.947 -8.287 -9.924 1.00 1.00 C ATOM 321 CD2 LEU A 20 -7.499 -9.059 -11.725 1.00 1.00 C ATOM 0 H LEU A 20 -8.782 -4.585 -10.361 1.00 1.00 H new ATOM 0 HA LEU A 20 -6.496 -5.847 -9.283 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -8.440 -7.074 -10.165 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -8.191 -6.400 -11.763 1.00 1.00 H new ATOM 0 HG LEU A 20 -5.996 -7.524 -11.941 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.261 -9.099 -10.166 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.383 -7.438 -9.538 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.656 -8.625 -9.169 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -6.813 -9.873 -11.961 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -8.211 -9.392 -10.970 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -8.037 -8.765 -12.626 1.00 1.00 H new ATOM 333 N ALA A 21 -6.130 -4.351 -12.199 1.00 1.00 N ATOM 334 CA ALA A 21 -5.142 -3.861 -13.153 1.00 1.00 C ATOM 335 C ALA A 21 -4.172 -2.894 -12.469 1.00 1.00 C ATOM 336 O ALA A 21 -2.981 -2.873 -12.784 1.00 1.00 O ATOM 337 CB ALA A 21 -5.847 -3.166 -14.319 1.00 1.00 C ATOM 0 H ALA A 21 -7.090 -4.072 -12.403 1.00 1.00 H new ATOM 0 HA ALA A 21 -4.572 -4.708 -13.535 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -5.104 -2.802 -15.029 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -6.509 -3.874 -14.818 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -6.431 -2.326 -13.943 1.00 1.00 H new ATOM 343 N GLU A 22 -4.682 -2.108 -11.520 1.00 1.00 N ATOM 344 CA GLU A 22 -3.833 -1.164 -10.799 1.00 1.00 C ATOM 345 C GLU A 22 -2.810 -1.931 -9.961 1.00 1.00 C ATOM 346 O GLU A 22 -1.681 -1.480 -9.768 1.00 1.00 O ATOM 347 CB GLU A 22 -4.686 -0.261 -9.900 1.00 1.00 C ATOM 348 CG GLU A 22 -5.534 0.690 -10.757 1.00 1.00 C ATOM 349 CD GLU A 22 -4.645 1.665 -11.528 1.00 1.00 C ATOM 350 OE1 GLU A 22 -3.513 1.865 -11.114 1.00 1.00 O ATOM 351 OE2 GLU A 22 -5.113 2.206 -12.519 1.00 1.00 O ATOM 0 H GLU A 22 -5.662 -2.106 -11.237 1.00 1.00 H new ATOM 0 HA GLU A 22 -3.307 -0.536 -11.518 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -5.334 -0.870 -9.270 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -4.043 0.314 -9.234 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -6.141 0.114 -11.456 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -6.222 1.245 -10.120 1.00 1.00 H new ATOM 358 N ALA A 23 -3.215 -3.108 -9.484 1.00 1.00 N ATOM 359 CA ALA A 23 -2.327 -3.950 -8.689 1.00 1.00 C ATOM 360 C ALA A 23 -1.075 -4.286 -9.497 1.00 1.00 C ATOM 361 O ALA A 23 0.018 -4.424 -8.947 1.00 1.00 O ATOM 362 CB ALA A 23 -3.053 -5.241 -8.293 1.00 1.00 C ATOM 0 H ALA A 23 -4.146 -3.496 -9.634 1.00 1.00 H new ATOM 0 HA ALA A 23 -2.036 -3.413 -7.786 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.386 -5.866 -7.700 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -3.938 -4.995 -7.706 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -3.352 -5.781 -9.192 1.00 1.00 H new ATOM 368 N GLU A 24 -1.253 -4.411 -10.812 1.00 1.00 N ATOM 369 CA GLU A 24 -0.142 -4.720 -11.708 1.00 1.00 C ATOM 370 C GLU A 24 0.813 -3.529 -11.807 1.00 1.00 C ATOM 371 O GLU A 24 2.033 -3.698 -11.809 1.00 1.00 O ATOM 372 CB GLU A 24 -0.686 -5.073 -13.098 1.00 1.00 C ATOM 373 CG GLU A 24 0.468 -5.484 -14.018 1.00 1.00 C ATOM 374 CD GLU A 24 -0.064 -5.879 -15.394 1.00 1.00 C ATOM 375 OE1 GLU A 24 -1.219 -5.596 -15.670 1.00 1.00 O ATOM 376 OE2 GLU A 24 0.697 -6.456 -16.158 1.00 1.00 O ATOM 0 H GLU A 24 -2.154 -4.303 -11.278 1.00 1.00 H new ATOM 0 HA GLU A 24 0.408 -5.571 -11.308 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -1.408 -5.886 -13.020 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -1.213 -4.217 -13.520 1.00 1.00 H new ATOM 0 HG2 GLU A 24 1.174 -4.660 -14.117 1.00 1.00 H new ATOM 0 HG3 GLU A 24 1.013 -6.319 -13.578 1.00 1.00 H new ATOM 383 N GLU A 25 0.246 -2.326 -11.878 1.00 1.00 N ATOM 384 CA GLU A 25 1.053 -1.110 -11.960 1.00 1.00 C ATOM 385 C GLU A 25 1.785 -0.876 -10.641 1.00 1.00 C ATOM 386 O GLU A 25 2.910 -0.372 -10.618 1.00 1.00 O ATOM 387 CB GLU A 25 0.156 0.105 -12.259 1.00 1.00 C ATOM 388 CG GLU A 25 -0.262 0.112 -13.732 1.00 1.00 C ATOM 389 CD GLU A 25 -1.277 -0.993 -13.993 1.00 1.00 C ATOM 390 OE1 GLU A 25 -2.454 -0.756 -13.765 1.00 1.00 O ATOM 391 OE2 GLU A 25 -0.864 -2.062 -14.411 1.00 1.00 O ATOM 0 H GLU A 25 -0.762 -2.167 -11.880 1.00 1.00 H new ATOM 0 HA GLU A 25 1.779 -1.232 -12.764 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -0.729 0.076 -11.624 1.00 1.00 H new ATOM 0 HB3 GLU A 25 0.689 1.026 -12.022 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -0.691 1.080 -13.992 1.00 1.00 H new ATOM 0 HG3 GLU A 25 0.613 -0.029 -14.367 1.00 1.00 H new ATOM 398 N ARG A 26 1.116 -1.224 -9.544 1.00 1.00 N ATOM 399 CA ARG A 26 1.670 -1.035 -8.205 1.00 1.00 C ATOM 400 C ARG A 26 3.133 -1.482 -8.129 1.00 1.00 C ATOM 401 O ARG A 26 3.463 -2.630 -8.436 1.00 1.00 O ATOM 402 CB ARG A 26 0.825 -1.825 -7.195 1.00 1.00 C ATOM 403 CG ARG A 26 1.343 -1.574 -5.780 1.00 1.00 C ATOM 404 CD ARG A 26 0.468 -2.305 -4.765 1.00 1.00 C ATOM 405 NE ARG A 26 0.879 -1.944 -3.415 1.00 1.00 N ATOM 406 CZ ARG A 26 0.318 -2.493 -2.345 1.00 1.00 C ATOM 407 NH1 ARG A 26 -0.626 -3.378 -2.484 1.00 1.00 N ATOM 408 NH2 ARG A 26 0.715 -2.143 -1.154 1.00 1.00 N ATOM 0 H ARG A 26 0.185 -1.640 -9.557 1.00 1.00 H new ATOM 0 HA ARG A 26 1.641 0.028 -7.968 1.00 1.00 H new ATOM 0 HB2 ARG A 26 -0.220 -1.525 -7.268 1.00 1.00 H new ATOM 0 HB3 ARG A 26 0.868 -2.890 -7.425 1.00 1.00 H new ATOM 0 HG2 ARG A 26 2.375 -1.916 -5.696 1.00 1.00 H new ATOM 0 HG3 ARG A 26 1.343 -0.505 -5.569 1.00 1.00 H new ATOM 0 HD2 ARG A 26 -0.579 -2.045 -4.919 1.00 1.00 H new ATOM 0 HD3 ARG A 26 0.553 -3.383 -4.906 1.00 1.00 H new ATOM 0 HE ARG A 26 1.617 -1.251 -3.289 1.00 1.00 H new ATOM 0 HH11 ARG A 26 -0.936 -3.651 -3.417 1.00 1.00 H new ATOM 0 HH12 ARG A 26 -1.056 -3.799 -1.660 1.00 1.00 H new ATOM 0 HH21 ARG A 26 1.455 -1.449 -1.046 1.00 1.00 H new ATOM 0 HH22 ARG A 26 0.286 -2.563 -0.329 1.00 1.00 H new ATOM 422 N ARG A 27 4.004 -0.565 -7.697 1.00 1.00 N ATOM 423 CA ARG A 27 5.430 -0.869 -7.562 1.00 1.00 C ATOM 424 C ARG A 27 6.092 0.085 -6.567 1.00 1.00 C ATOM 425 O ARG A 27 7.126 0.685 -6.863 1.00 1.00 O ATOM 426 CB ARG A 27 6.132 -0.757 -8.925 1.00 1.00 C ATOM 427 CG ARG A 27 7.495 -1.483 -8.879 1.00 1.00 C ATOM 428 CD ARG A 27 7.310 -2.950 -9.268 1.00 1.00 C ATOM 429 NE ARG A 27 6.864 -3.034 -10.652 1.00 1.00 N ATOM 430 CZ ARG A 27 7.731 -3.003 -11.657 1.00 1.00 C ATOM 431 NH1 ARG A 27 9.010 -2.902 -11.425 1.00 1.00 N ATOM 432 NH2 ARG A 27 7.305 -3.067 -12.884 1.00 1.00 N ATOM 0 H ARG A 27 3.748 0.387 -7.437 1.00 1.00 H new ATOM 0 HA ARG A 27 5.525 -1.890 -7.192 1.00 1.00 H new ATOM 0 HB2 ARG A 27 5.505 -1.192 -9.703 1.00 1.00 H new ATOM 0 HB3 ARG A 27 6.278 0.292 -9.183 1.00 1.00 H new ATOM 0 HG2 ARG A 27 8.197 -1.002 -9.560 1.00 1.00 H new ATOM 0 HG3 ARG A 27 7.922 -1.413 -7.878 1.00 1.00 H new ATOM 0 HD2 ARG A 27 8.248 -3.491 -9.144 1.00 1.00 H new ATOM 0 HD3 ARG A 27 6.580 -3.422 -8.610 1.00 1.00 H new ATOM 0 HE ARG A 27 5.867 -3.118 -10.853 1.00 1.00 H new ATOM 0 HH11 ARG A 27 9.351 -2.846 -10.465 1.00 1.00 H new ATOM 0 HH12 ARG A 27 9.669 -2.879 -12.203 1.00 1.00 H new ATOM 0 HH21 ARG A 27 6.306 -3.141 -13.074 1.00 1.00 H new ATOM 0 HH22 ARG A 27 7.970 -3.043 -13.657 1.00 1.00 H new ATOM 446 N ARG A 28 5.484 0.218 -5.389 1.00 1.00 N ATOM 447 CA ARG A 28 6.013 1.101 -4.350 1.00 1.00 C ATOM 448 C ARG A 28 7.314 0.545 -3.767 1.00 1.00 C ATOM 449 O ARG A 28 8.101 1.279 -3.166 1.00 1.00 O ATOM 450 CB ARG A 28 4.968 1.276 -3.243 1.00 1.00 C ATOM 451 CG ARG A 28 4.719 -0.064 -2.542 1.00 1.00 C ATOM 452 CD ARG A 28 3.582 0.092 -1.528 1.00 1.00 C ATOM 453 NE ARG A 28 3.979 1.004 -0.461 1.00 1.00 N ATOM 454 CZ ARG A 28 4.842 0.633 0.479 1.00 1.00 C ATOM 455 NH1 ARG A 28 5.351 -0.567 0.464 1.00 1.00 N ATOM 456 NH2 ARG A 28 5.183 1.471 1.416 1.00 1.00 N ATOM 0 H ARG A 28 4.628 -0.272 -5.131 1.00 1.00 H new ATOM 0 HA ARG A 28 6.233 2.071 -4.797 1.00 1.00 H new ATOM 0 HB2 ARG A 28 5.312 2.016 -2.520 1.00 1.00 H new ATOM 0 HB3 ARG A 28 4.037 1.653 -3.666 1.00 1.00 H new ATOM 0 HG2 ARG A 28 4.463 -0.828 -3.276 1.00 1.00 H new ATOM 0 HG3 ARG A 28 5.626 -0.397 -2.038 1.00 1.00 H new ATOM 0 HD2 ARG A 28 2.690 0.471 -2.027 1.00 1.00 H new ATOM 0 HD3 ARG A 28 3.324 -0.880 -1.108 1.00 1.00 H new ATOM 0 HE ARG A 28 3.586 1.945 -0.436 1.00 1.00 H new ATOM 0 HH11 ARG A 28 5.087 -1.224 -0.270 1.00 1.00 H new ATOM 0 HH12 ARG A 28 6.013 -0.849 1.187 1.00 1.00 H new ATOM 0 HH21 ARG A 28 4.788 2.411 1.428 1.00 1.00 H new ATOM 0 HH22 ARG A 28 5.845 1.187 2.138 1.00 1.00 H new ATOM 470 N ARG A 29 7.536 -0.754 -3.957 1.00 1.00 N ATOM 471 CA ARG A 29 8.745 -1.402 -3.456 1.00 1.00 C ATOM 472 C ARG A 29 9.978 -0.887 -4.197 1.00 1.00 C ATOM 473 O ARG A 29 11.101 -0.968 -3.694 1.00 1.00 O ATOM 474 CB ARG A 29 8.619 -2.925 -3.627 1.00 1.00 C ATOM 475 CG ARG A 29 8.497 -3.275 -5.115 1.00 1.00 C ATOM 476 CD ARG A 29 8.343 -4.789 -5.290 1.00 1.00 C ATOM 477 NE ARG A 29 8.257 -5.107 -6.712 1.00 1.00 N ATOM 478 CZ ARG A 29 7.830 -6.291 -7.143 1.00 1.00 C ATOM 479 NH1 ARG A 29 7.463 -7.210 -6.298 1.00 1.00 N ATOM 480 NH2 ARG A 29 7.780 -6.531 -8.423 1.00 1.00 N ATOM 0 H ARG A 29 6.897 -1.376 -4.452 1.00 1.00 H new ATOM 0 HA ARG A 29 8.861 -1.166 -2.398 1.00 1.00 H new ATOM 0 HB2 ARG A 29 9.490 -3.421 -3.198 1.00 1.00 H new ATOM 0 HB3 ARG A 29 7.746 -3.289 -3.086 1.00 1.00 H new ATOM 0 HG2 ARG A 29 7.638 -2.762 -5.548 1.00 1.00 H new ATOM 0 HG3 ARG A 29 9.380 -2.927 -5.652 1.00 1.00 H new ATOM 0 HD2 ARG A 29 9.191 -5.306 -4.841 1.00 1.00 H new ATOM 0 HD3 ARG A 29 7.448 -5.137 -4.774 1.00 1.00 H new ATOM 0 HE ARG A 29 8.532 -4.401 -7.395 1.00 1.00 H new ATOM 0 HH11 ARG A 29 7.501 -7.026 -5.296 1.00 1.00 H new ATOM 0 HH12 ARG A 29 7.137 -8.115 -6.638 1.00 1.00 H new ATOM 0 HH21 ARG A 29 8.067 -5.813 -9.088 1.00 1.00 H new ATOM 0 HH22 ARG A 29 7.454 -7.437 -8.760 1.00 1.00 H new ATOM 494 N ALA A 30 9.758 -0.351 -5.396 1.00 1.00 N ATOM 495 CA ALA A 30 10.850 0.184 -6.210 1.00 1.00 C ATOM 496 C ALA A 30 11.094 1.659 -5.890 1.00 1.00 C ATOM 497 O ALA A 30 12.191 2.176 -6.105 1.00 1.00 O ATOM 498 CB ALA A 30 10.506 0.030 -7.694 1.00 1.00 C ATOM 0 H ALA A 30 8.836 -0.275 -5.826 1.00 1.00 H new ATOM 0 HA ALA A 30 11.758 -0.374 -5.982 1.00 1.00 H new ATOM 0 HB1 ALA A 30 11.320 0.429 -8.299 1.00 1.00 H new ATOM 0 HB2 ALA A 30 10.364 -1.025 -7.927 1.00 1.00 H new ATOM 0 HB3 ALA A 30 9.589 0.577 -7.914 1.00 1.00 H new ATOM 504 N LYS A 31 10.071 2.328 -5.367 1.00 1.00 N ATOM 505 CA LYS A 31 10.195 3.741 -5.017 1.00 1.00 C ATOM 506 C LYS A 31 11.257 3.932 -3.934 1.00 1.00 C ATOM 507 O LYS A 31 12.093 4.831 -4.023 1.00 1.00 O ATOM 508 CB LYS A 31 8.844 4.283 -4.532 1.00 1.00 C ATOM 509 CG LYS A 31 8.953 5.792 -4.269 1.00 1.00 C ATOM 510 CD LYS A 31 7.592 6.335 -3.821 1.00 1.00 C ATOM 511 CE LYS A 31 7.688 7.842 -3.571 1.00 1.00 C ATOM 512 NZ LYS A 31 6.358 8.352 -3.129 1.00 1.00 N ATOM 0 H LYS A 31 9.155 1.921 -5.177 1.00 1.00 H new ATOM 0 HA LYS A 31 10.501 4.294 -5.905 1.00 1.00 H new ATOM 0 HB2 LYS A 31 8.075 4.090 -5.280 1.00 1.00 H new ATOM 0 HB3 LYS A 31 8.540 3.767 -3.621 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.703 5.984 -3.502 1.00 1.00 H new ATOM 0 HG3 LYS A 31 9.282 6.306 -5.172 1.00 1.00 H new ATOM 0 HD2 LYS A 31 6.841 6.131 -4.584 1.00 1.00 H new ATOM 0 HD3 LYS A 31 7.269 5.827 -2.912 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.441 8.049 -2.811 1.00 1.00 H new ATOM 0 HE3 LYS A 31 8.003 8.354 -4.480 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 6.418 9.376 -2.958 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 5.651 8.166 -3.869 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 6.076 7.870 -2.252 1.00 1.00 H new ATOM 526 N ALA A 32 11.218 3.075 -2.917 1.00 1.00 N ATOM 527 CA ALA A 32 12.182 3.153 -1.823 1.00 1.00 C ATOM 528 C ALA A 32 13.467 2.414 -2.186 1.00 1.00 C ATOM 529 O ALA A 32 14.319 2.173 -1.328 1.00 1.00 O ATOM 530 CB ALA A 32 11.576 2.543 -0.557 1.00 1.00 C ATOM 0 H ALA A 32 10.534 2.323 -2.828 1.00 1.00 H new ATOM 0 HA ALA A 32 12.422 4.201 -1.644 1.00 1.00 H new ATOM 0 HB1 ALA A 32 12.298 2.603 0.257 1.00 1.00 H new ATOM 0 HB2 ALA A 32 10.675 3.092 -0.284 1.00 1.00 H new ATOM 0 HB3 ALA A 32 11.323 1.499 -0.741 1.00 1.00 H new ATOM 536 N LEU A 33 13.609 2.064 -3.467 1.00 1.00 N ATOM 537 CA LEU A 33 14.796 1.360 -3.934 1.00 1.00 C ATOM 538 C LEU A 33 15.022 1.607 -5.424 1.00 1.00 C ATOM 539 O LEU A 33 14.333 1.035 -6.271 1.00 1.00 O ATOM 540 CB LEU A 33 14.648 -0.146 -3.673 1.00 1.00 C ATOM 541 CG LEU A 33 15.864 -0.904 -4.231 1.00 1.00 C ATOM 542 CD1 LEU A 33 17.155 -0.345 -3.615 1.00 1.00 C ATOM 543 CD2 LEU A 33 15.739 -2.387 -3.883 1.00 1.00 C ATOM 0 H LEU A 33 12.918 2.257 -4.192 1.00 1.00 H new ATOM 0 HA LEU A 33 15.658 1.739 -3.386 1.00 1.00 H new ATOM 0 HB2 LEU A 33 14.556 -0.330 -2.603 1.00 1.00 H new ATOM 0 HB3 LEU A 33 13.735 -0.515 -4.140 1.00 1.00 H new ATOM 0 HG LEU A 33 15.899 -0.780 -5.313 1.00 1.00 H new ATOM 0 HD11 LEU A 33 18.013 -0.886 -4.014 1.00 1.00 H new ATOM 0 HD12 LEU A 33 17.247 0.713 -3.861 1.00 1.00 H new ATOM 0 HD13 LEU A 33 17.123 -0.464 -2.532 1.00 1.00 H new ATOM 0 HD21 LEU A 33 16.600 -2.927 -4.277 1.00 1.00 H new ATOM 0 HD22 LEU A 33 15.702 -2.505 -2.800 1.00 1.00 H new ATOM 0 HD23 LEU A 33 14.826 -2.788 -4.323 1.00 1.00 H new ATOM 555 N ASP A 34 16.000 2.453 -5.734 1.00 1.00 N ATOM 556 CA ASP A 34 16.321 2.772 -7.121 1.00 1.00 C ATOM 557 C ASP A 34 16.958 1.575 -7.832 1.00 1.00 C ATOM 558 O ASP A 34 17.738 0.827 -7.238 1.00 1.00 O ATOM 559 CB ASP A 34 17.273 3.971 -7.160 1.00 1.00 C ATOM 560 CG ASP A 34 18.537 3.667 -6.362 1.00 1.00 C ATOM 561 OD1 ASP A 34 18.561 2.654 -5.684 1.00 1.00 O ATOM 562 OD2 ASP A 34 19.464 4.459 -6.436 1.00 1.00 O ATOM 0 H ASP A 34 16.583 2.929 -5.045 1.00 1.00 H new ATOM 0 HA ASP A 34 15.396 3.018 -7.642 1.00 1.00 H new ATOM 0 HB2 ASP A 34 17.533 4.204 -8.192 1.00 1.00 H new ATOM 0 HB3 ASP A 34 16.778 4.851 -6.749 1.00 1.00 H new ATOM 567 N LEU A 35 16.607 1.394 -9.104 1.00 1.00 N ATOM 568 CA LEU A 35 17.128 0.281 -9.894 1.00 1.00 C ATOM 569 C LEU A 35 18.635 0.091 -9.664 1.00 1.00 C ATOM 570 O LEU A 35 19.348 1.036 -9.326 1.00 1.00 O ATOM 571 CB LEU A 35 16.844 0.518 -11.394 1.00 1.00 C ATOM 572 CG LEU A 35 16.865 2.015 -11.714 1.00 1.00 C ATOM 573 CD1 LEU A 35 18.197 2.632 -11.267 1.00 1.00 C ATOM 574 CD2 LEU A 35 16.706 2.202 -13.224 1.00 1.00 C ATOM 0 H LEU A 35 15.964 2.004 -9.609 1.00 1.00 H new ATOM 0 HA LEU A 35 16.622 -0.629 -9.572 1.00 1.00 H new ATOM 0 HB2 LEU A 35 17.590 0.001 -11.997 1.00 1.00 H new ATOM 0 HB3 LEU A 35 15.873 0.097 -11.657 1.00 1.00 H new ATOM 0 HG LEU A 35 16.049 2.508 -11.185 1.00 1.00 H new ATOM 0 HD11 LEU A 35 18.201 3.697 -11.499 1.00 1.00 H new ATOM 0 HD12 LEU A 35 18.319 2.495 -10.193 1.00 1.00 H new ATOM 0 HD13 LEU A 35 19.018 2.143 -11.791 1.00 1.00 H new ATOM 0 HD21 LEU A 35 16.720 3.266 -13.462 1.00 1.00 H new ATOM 0 HD22 LEU A 35 17.526 1.704 -13.741 1.00 1.00 H new ATOM 0 HD23 LEU A 35 15.759 1.770 -13.546 1.00 1.00 H new ATOM 586 N PRO A 36 19.127 -1.113 -9.843 1.00 1.00 N ATOM 587 CA PRO A 36 20.577 -1.418 -9.649 1.00 1.00 C ATOM 588 C PRO A 36 21.469 -0.711 -10.675 1.00 1.00 C ATOM 589 O PRO A 36 22.669 -0.555 -10.457 1.00 1.00 O ATOM 590 CB PRO A 36 20.653 -2.953 -9.797 1.00 1.00 C ATOM 591 CG PRO A 36 19.437 -3.338 -10.583 1.00 1.00 C ATOM 592 CD PRO A 36 18.363 -2.309 -10.241 1.00 1.00 C ATOM 0 HA PRO A 36 20.942 -1.064 -8.685 1.00 1.00 H new ATOM 0 HB2 PRO A 36 21.565 -3.253 -10.313 1.00 1.00 H new ATOM 0 HB3 PRO A 36 20.662 -3.442 -8.823 1.00 1.00 H new ATOM 0 HG2 PRO A 36 19.649 -3.338 -11.652 1.00 1.00 H new ATOM 0 HG3 PRO A 36 19.108 -4.344 -10.323 1.00 1.00 H new ATOM 0 HD2 PRO A 36 17.719 -2.105 -11.097 1.00 1.00 H new ATOM 0 HD3 PRO A 36 17.719 -2.658 -9.434 1.00 1.00 H new ATOM 600 N LYS A 37 20.879 -0.297 -11.795 1.00 1.00 N ATOM 601 CA LYS A 37 21.642 0.375 -12.849 1.00 1.00 C ATOM 602 C LYS A 37 22.018 1.796 -12.430 1.00 1.00 C ATOM 603 O LYS A 37 21.827 2.180 -11.275 1.00 1.00 O ATOM 604 CB LYS A 37 20.815 0.422 -14.139 1.00 1.00 C ATOM 605 CG LYS A 37 20.256 -0.974 -14.470 1.00 1.00 C ATOM 606 CD LYS A 37 21.393 -1.920 -14.874 1.00 1.00 C ATOM 607 CE LYS A 37 20.815 -3.260 -15.328 1.00 1.00 C ATOM 608 NZ LYS A 37 21.932 -4.158 -15.739 1.00 1.00 N ATOM 0 H LYS A 37 19.886 -0.413 -11.996 1.00 1.00 H new ATOM 0 HA LYS A 37 22.559 -0.189 -13.020 1.00 1.00 H new ATOM 0 HB2 LYS A 37 19.995 1.132 -14.027 1.00 1.00 H new ATOM 0 HB3 LYS A 37 21.434 0.777 -14.963 1.00 1.00 H new ATOM 0 HG2 LYS A 37 19.729 -1.377 -13.605 1.00 1.00 H new ATOM 0 HG3 LYS A 37 19.530 -0.900 -15.280 1.00 1.00 H new ATOM 0 HD2 LYS A 37 21.980 -1.476 -15.678 1.00 1.00 H new ATOM 0 HD3 LYS A 37 22.069 -2.071 -14.032 1.00 1.00 H new ATOM 0 HE2 LYS A 37 20.243 -3.716 -14.520 1.00 1.00 H new ATOM 0 HE3 LYS A 37 20.127 -3.110 -16.160 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 21.546 -5.072 -16.049 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 22.459 -3.721 -16.522 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 22.571 -4.308 -14.933 1.00 1.00 H new ATOM 622 N GLU A 38 22.567 2.580 -13.364 1.00 1.00 N ATOM 623 CA GLU A 38 22.972 3.953 -13.057 1.00 1.00 C ATOM 624 C GLU A 38 22.672 4.865 -14.245 1.00 1.00 C ATOM 625 O GLU A 38 21.883 4.511 -15.124 1.00 1.00 O ATOM 626 CB GLU A 38 24.472 4.007 -12.711 1.00 1.00 C ATOM 627 CG GLU A 38 24.751 3.210 -11.427 1.00 1.00 C ATOM 628 CD GLU A 38 24.015 3.825 -10.239 1.00 1.00 C ATOM 629 OE1 GLU A 38 23.642 4.982 -10.330 1.00 1.00 O ATOM 630 OE2 GLU A 38 23.835 3.125 -9.254 1.00 1.00 O ATOM 0 H GLU A 38 22.739 2.291 -14.327 1.00 1.00 H new ATOM 0 HA GLU A 38 22.405 4.299 -12.193 1.00 1.00 H new ATOM 0 HB2 GLU A 38 25.057 3.599 -13.535 1.00 1.00 H new ATOM 0 HB3 GLU A 38 24.785 5.043 -12.580 1.00 1.00 H new ATOM 0 HG2 GLU A 38 24.436 2.175 -11.560 1.00 1.00 H new ATOM 0 HG3 GLU A 38 25.823 3.194 -11.229 1.00 1.00 H new ATOM 637 N ILE A 39 23.294 6.046 -14.267 1.00 1.00 N ATOM 638 CA ILE A 39 23.076 7.001 -15.360 1.00 1.00 C ATOM 639 C ILE A 39 24.176 6.869 -16.412 1.00 1.00 C ATOM 640 O ILE A 39 24.122 7.508 -17.465 1.00 1.00 O ATOM 641 CB ILE A 39 23.052 8.436 -14.813 1.00 1.00 C ATOM 642 CG1 ILE A 39 24.378 8.746 -14.112 1.00 1.00 C ATOM 643 CG2 ILE A 39 21.908 8.600 -13.810 1.00 1.00 C ATOM 644 CD1 ILE A 39 24.398 10.218 -13.693 1.00 1.00 C ATOM 0 H ILE A 39 23.946 6.363 -13.550 1.00 1.00 H new ATOM 0 HA ILE A 39 22.115 6.779 -15.824 1.00 1.00 H new ATOM 0 HB ILE A 39 22.905 9.123 -15.646 1.00 1.00 H new ATOM 0 HG12 ILE A 39 24.499 8.106 -13.238 1.00 1.00 H new ATOM 0 HG13 ILE A 39 25.213 8.535 -14.780 1.00 1.00 H new ATOM 0 HG21 ILE A 39 21.901 9.621 -13.429 1.00 1.00 H new ATOM 0 HG22 ILE A 39 20.959 8.390 -14.303 1.00 1.00 H new ATOM 0 HG23 ILE A 39 22.048 7.905 -12.982 1.00 1.00 H new ATOM 0 HD11 ILE A 39 25.341 10.441 -13.194 1.00 1.00 H new ATOM 0 HD12 ILE A 39 24.297 10.849 -14.576 1.00 1.00 H new ATOM 0 HD13 ILE A 39 23.571 10.413 -13.010 1.00 1.00 H new ATOM 656 N GLY A 40 25.170 6.035 -16.115 1.00 1.00 N ATOM 657 CA GLY A 40 26.288 5.810 -17.032 1.00 1.00 C ATOM 658 C GLY A 40 27.110 7.079 -17.247 1.00 1.00 C ATOM 659 O GLY A 40 27.442 7.784 -16.294 1.00 1.00 O ATOM 0 H GLY A 40 25.225 5.503 -15.246 1.00 1.00 H new ATOM 0 HA2 GLY A 40 26.930 5.024 -16.636 1.00 1.00 H new ATOM 0 HA3 GLY A 40 25.907 5.457 -17.990 1.00 1.00 H new ATOM 663 N GLY A 41 27.447 7.361 -18.510 1.00 1.00 N ATOM 664 CA GLY A 41 28.241 8.550 -18.851 1.00 1.00 C ATOM 665 C GLY A 41 29.530 8.168 -19.582 1.00 1.00 C ATOM 666 O GLY A 41 30.049 7.062 -19.416 1.00 1.00 O ATOM 0 H GLY A 41 27.185 6.786 -19.311 1.00 1.00 H new ATOM 0 HA2 GLY A 41 27.649 9.217 -19.478 1.00 1.00 H new ATOM 0 HA3 GLY A 41 28.485 9.100 -17.942 1.00 1.00 H new ATOM 670 N ARG A 42 30.036 9.093 -20.399 1.00 1.00 N ATOM 671 CA ARG A 42 31.261 8.854 -21.165 1.00 1.00 C ATOM 672 C ARG A 42 32.514 8.963 -20.291 1.00 1.00 C ATOM 673 O ARG A 42 33.577 8.458 -20.656 1.00 1.00 O ATOM 674 CB ARG A 42 31.350 9.859 -22.319 1.00 1.00 C ATOM 675 CG ARG A 42 31.425 11.286 -21.765 1.00 1.00 C ATOM 676 CD ARG A 42 31.497 12.282 -22.926 1.00 1.00 C ATOM 677 NE ARG A 42 31.659 13.642 -22.425 1.00 1.00 N ATOM 678 CZ ARG A 42 31.447 14.690 -23.215 1.00 1.00 C ATOM 679 NH1 ARG A 42 31.079 14.509 -24.453 1.00 1.00 N ATOM 680 NH2 ARG A 42 31.604 15.899 -22.756 1.00 1.00 N ATOM 0 H ARG A 42 29.619 10.012 -20.547 1.00 1.00 H new ATOM 0 HA ARG A 42 31.216 7.837 -21.555 1.00 1.00 H new ATOM 0 HB2 ARG A 42 32.229 9.650 -22.928 1.00 1.00 H new ATOM 0 HB3 ARG A 42 30.481 9.757 -22.969 1.00 1.00 H new ATOM 0 HG2 ARG A 42 30.551 11.494 -21.147 1.00 1.00 H new ATOM 0 HG3 ARG A 42 32.301 11.393 -21.125 1.00 1.00 H new ATOM 0 HD2 ARG A 42 32.331 12.027 -23.580 1.00 1.00 H new ATOM 0 HD3 ARG A 42 30.590 12.215 -23.527 1.00 1.00 H new ATOM 0 HE ARG A 42 31.939 13.791 -21.455 1.00 1.00 H new ATOM 0 HH11 ARG A 42 30.954 13.564 -24.815 1.00 1.00 H new ATOM 0 HH12 ARG A 42 30.916 15.313 -25.059 1.00 1.00 H new ATOM 0 HH21 ARG A 42 31.890 16.044 -21.788 1.00 1.00 H new ATOM 0 HH22 ARG A 42 31.441 16.701 -23.365 1.00 1.00 H new ATOM 694 N ASN A 43 32.389 9.624 -19.143 1.00 1.00 N ATOM 695 CA ASN A 43 33.524 9.793 -18.232 1.00 1.00 C ATOM 696 C ASN A 43 33.525 8.702 -17.160 1.00 1.00 C ATOM 697 O ASN A 43 32.467 8.270 -16.697 1.00 1.00 O ATOM 698 CB ASN A 43 33.447 11.173 -17.571 1.00 1.00 C ATOM 699 CG ASN A 43 33.817 12.256 -18.581 1.00 1.00 C ATOM 700 OD1 ASN A 43 34.430 11.965 -19.607 1.00 1.00 O ATOM 701 ND2 ASN A 43 33.478 13.493 -18.347 1.00 1.00 N ATOM 0 H ASN A 43 31.520 10.050 -18.820 1.00 1.00 H new ATOM 0 HA ASN A 43 34.448 9.712 -18.804 1.00 1.00 H new ATOM 0 HB2 ASN A 43 32.441 11.348 -17.190 1.00 1.00 H new ATOM 0 HB3 ASN A 43 34.123 11.215 -16.717 1.00 1.00 H new ATOM 0 HD21 ASN A 43 33.721 14.224 -19.016 1.00 1.00 H new ATOM 0 HD22 ASN A 43 32.970 13.730 -17.495 1.00 1.00 H new ATOM 708 N GLY A 44 34.722 8.258 -16.775 1.00 1.00 N ATOM 709 CA GLY A 44 34.860 7.214 -15.762 1.00 1.00 C ATOM 710 C GLY A 44 36.274 6.636 -15.762 1.00 1.00 C ATOM 711 O GLY A 44 37.060 6.890 -14.846 1.00 1.00 O ATOM 0 H GLY A 44 35.606 8.604 -17.148 1.00 1.00 H new ATOM 0 HA2 GLY A 44 34.631 7.624 -14.778 1.00 1.00 H new ATOM 0 HA3 GLY A 44 34.138 6.420 -15.952 1.00 1.00 H new ATOM 715 N PRO A 45 36.607 5.868 -16.766 1.00 1.00 N ATOM 716 CA PRO A 45 37.957 5.234 -16.895 1.00 1.00 C ATOM 717 C PRO A 45 39.076 6.265 -17.076 1.00 1.00 C ATOM 718 O PRO A 45 40.236 5.991 -16.769 1.00 1.00 O ATOM 719 CB PRO A 45 37.806 4.352 -18.149 1.00 1.00 C ATOM 720 CG PRO A 45 36.726 5.013 -18.936 1.00 1.00 C ATOM 721 CD PRO A 45 35.734 5.515 -17.898 1.00 1.00 C ATOM 0 HA PRO A 45 38.242 4.680 -16.001 1.00 1.00 H new ATOM 0 HB2 PRO A 45 38.737 4.302 -18.714 1.00 1.00 H new ATOM 0 HB3 PRO A 45 37.537 3.329 -17.886 1.00 1.00 H new ATOM 0 HG2 PRO A 45 37.120 5.834 -19.535 1.00 1.00 H new ATOM 0 HG3 PRO A 45 36.255 4.313 -19.626 1.00 1.00 H new ATOM 0 HD2 PRO A 45 35.170 6.375 -18.259 1.00 1.00 H new ATOM 0 HD3 PRO A 45 35.008 4.749 -17.627 1.00 1.00 H new ATOM 729 N GLU A 46 38.710 7.446 -17.577 1.00 1.00 N ATOM 730 CA GLU A 46 39.672 8.529 -17.801 1.00 1.00 C ATOM 731 C GLU A 46 41.051 7.996 -18.215 1.00 1.00 C ATOM 732 O GLU A 46 42.043 8.204 -17.512 1.00 1.00 O ATOM 733 CB GLU A 46 39.806 9.372 -16.525 1.00 1.00 C ATOM 734 CG GLU A 46 38.434 9.927 -16.117 1.00 1.00 C ATOM 735 CD GLU A 46 38.051 11.114 -17.001 1.00 1.00 C ATOM 736 OE1 GLU A 46 38.784 11.396 -17.935 1.00 1.00 O ATOM 737 OE2 GLU A 46 37.030 11.723 -16.727 1.00 1.00 O ATOM 0 H GLU A 46 37.751 7.678 -17.836 1.00 1.00 H new ATOM 0 HA GLU A 46 39.295 9.144 -18.619 1.00 1.00 H new ATOM 0 HB2 GLU A 46 40.216 8.764 -15.719 1.00 1.00 H new ATOM 0 HB3 GLU A 46 40.504 10.192 -16.692 1.00 1.00 H new ATOM 0 HG2 GLU A 46 37.679 9.145 -16.201 1.00 1.00 H new ATOM 0 HG3 GLU A 46 38.457 10.237 -15.072 1.00 1.00 H new ATOM 744 N PRO A 47 41.141 7.323 -19.340 1.00 1.00 N ATOM 745 CA PRO A 47 42.436 6.768 -19.844 1.00 1.00 C ATOM 746 C PRO A 47 43.403 7.874 -20.278 1.00 1.00 C ATOM 747 O PRO A 47 42.979 8.940 -20.728 1.00 1.00 O ATOM 748 CB PRO A 47 42.018 5.887 -21.034 1.00 1.00 C ATOM 749 CG PRO A 47 40.723 6.471 -21.504 1.00 1.00 C ATOM 750 CD PRO A 47 40.027 7.017 -20.254 1.00 1.00 C ATOM 0 HA PRO A 47 42.975 6.213 -19.076 1.00 1.00 H new ATOM 0 HB2 PRO A 47 42.770 5.905 -21.823 1.00 1.00 H new ATOM 0 HB3 PRO A 47 41.897 4.846 -20.733 1.00 1.00 H new ATOM 0 HG2 PRO A 47 40.894 7.263 -22.233 1.00 1.00 H new ATOM 0 HG3 PRO A 47 40.109 5.715 -21.993 1.00 1.00 H new ATOM 0 HD2 PRO A 47 39.438 7.906 -20.480 1.00 1.00 H new ATOM 0 HD3 PRO A 47 39.345 6.284 -19.823 1.00 1.00 H new ATOM 758 N VAL A 48 44.701 7.608 -20.131 1.00 1.00 N ATOM 759 CA VAL A 48 45.726 8.590 -20.496 1.00 1.00 C ATOM 760 C VAL A 48 45.870 8.726 -22.020 1.00 1.00 C ATOM 761 O VAL A 48 45.136 9.488 -22.651 1.00 1.00 O ATOM 762 CB VAL A 48 47.074 8.185 -19.864 1.00 1.00 C ATOM 763 CG1 VAL A 48 47.138 8.686 -18.416 1.00 1.00 C ATOM 764 CG2 VAL A 48 47.210 6.653 -19.865 1.00 1.00 C ATOM 0 H VAL A 48 45.067 6.729 -19.765 1.00 1.00 H new ATOM 0 HA VAL A 48 45.417 9.562 -20.112 1.00 1.00 H new ATOM 0 HB VAL A 48 47.883 8.628 -20.445 1.00 1.00 H new ATOM 0 HG11 VAL A 48 48.091 8.398 -17.973 1.00 1.00 H new ATOM 0 HG12 VAL A 48 47.045 9.772 -18.402 1.00 1.00 H new ATOM 0 HG13 VAL A 48 46.323 8.245 -17.842 1.00 1.00 H new ATOM 0 HG21 VAL A 48 48.163 6.372 -19.418 1.00 1.00 H new ATOM 0 HG22 VAL A 48 46.396 6.215 -19.288 1.00 1.00 H new ATOM 0 HG23 VAL A 48 47.168 6.285 -20.890 1.00 1.00 H new ATOM 774 N ARG A 49 46.825 7.999 -22.601 1.00 1.00 N ATOM 775 CA ARG A 49 47.061 8.053 -24.046 1.00 1.00 C ATOM 776 C ARG A 49 47.145 9.496 -24.535 1.00 1.00 C ATOM 777 O ARG A 49 46.390 9.913 -25.416 1.00 1.00 O ATOM 778 CB ARG A 49 45.946 7.318 -24.798 1.00 1.00 C ATOM 779 CG ARG A 49 45.793 5.890 -24.248 1.00 1.00 C ATOM 780 CD ARG A 49 46.905 4.985 -24.791 1.00 1.00 C ATOM 781 NE ARG A 49 46.650 3.599 -24.395 1.00 1.00 N ATOM 782 CZ ARG A 49 47.637 2.751 -24.104 1.00 1.00 C ATOM 783 NH1 ARG A 49 48.884 3.132 -24.171 1.00 1.00 N ATOM 784 NH2 ARG A 49 47.362 1.527 -23.752 1.00 1.00 N ATOM 0 H ARG A 49 47.446 7.367 -22.096 1.00 1.00 H new ATOM 0 HA ARG A 49 48.014 7.562 -24.246 1.00 1.00 H new ATOM 0 HB2 ARG A 49 45.006 7.860 -24.692 1.00 1.00 H new ATOM 0 HB3 ARG A 49 46.176 7.284 -25.863 1.00 1.00 H new ATOM 0 HG2 ARG A 49 45.829 5.907 -23.159 1.00 1.00 H new ATOM 0 HG3 ARG A 49 44.819 5.488 -24.528 1.00 1.00 H new ATOM 0 HD2 ARG A 49 46.951 5.060 -25.877 1.00 1.00 H new ATOM 0 HD3 ARG A 49 47.872 5.311 -24.408 1.00 1.00 H new ATOM 0 HE ARG A 49 45.686 3.271 -24.340 1.00 1.00 H new ATOM 0 HH11 ARG A 49 49.111 4.087 -24.448 1.00 1.00 H new ATOM 0 HH12 ARG A 49 49.631 2.475 -23.946 1.00 1.00 H new ATOM 0 HH21 ARG A 49 46.392 1.217 -23.699 1.00 1.00 H new ATOM 0 HH22 ARG A 49 48.117 0.878 -23.529 1.00 1.00 H new ATOM 798 N PHE A 50 48.091 10.249 -23.972 1.00 1.00 N ATOM 799 CA PHE A 50 48.301 11.646 -24.361 1.00 1.00 C ATOM 800 C PHE A 50 49.554 11.767 -25.228 1.00 1.00 C ATOM 801 O PHE A 50 49.994 12.872 -25.552 1.00 1.00 O ATOM 802 CB PHE A 50 48.440 12.526 -23.114 1.00 1.00 C ATOM 803 CG PHE A 50 47.081 12.718 -22.474 1.00 1.00 C ATOM 804 CD1 PHE A 50 46.110 13.494 -23.120 1.00 1.00 C ATOM 805 CD2 PHE A 50 46.791 12.122 -21.239 1.00 1.00 C ATOM 806 CE1 PHE A 50 44.852 13.674 -22.531 1.00 1.00 C ATOM 807 CE2 PHE A 50 45.532 12.301 -20.653 1.00 1.00 C ATOM 808 CZ PHE A 50 44.564 13.078 -21.298 1.00 1.00 C ATOM 0 H PHE A 50 48.724 9.916 -23.245 1.00 1.00 H new ATOM 0 HA PHE A 50 47.439 11.983 -24.936 1.00 1.00 H new ATOM 0 HB2 PHE A 50 49.125 12.063 -22.404 1.00 1.00 H new ATOM 0 HB3 PHE A 50 48.866 13.492 -23.384 1.00 1.00 H new ATOM 0 HD1 PHE A 50 46.331 13.953 -24.072 1.00 1.00 H new ATOM 0 HD2 PHE A 50 47.539 11.524 -20.739 1.00 1.00 H new ATOM 0 HE1 PHE A 50 44.104 14.273 -23.029 1.00 1.00 H new ATOM 0 HE2 PHE A 50 45.308 11.839 -19.703 1.00 1.00 H new ATOM 0 HZ PHE A 50 43.594 13.218 -20.844 1.00 1.00 H new ATOM 818 N GLY A 51 50.121 10.620 -25.605 1.00 1.00 N ATOM 819 CA GLY A 51 51.326 10.598 -26.439 1.00 1.00 C ATOM 820 C GLY A 51 50.967 10.503 -27.923 1.00 1.00 C ATOM 821 O GLY A 51 51.198 9.480 -28.564 1.00 1.00 O ATOM 0 H GLY A 51 49.768 9.698 -25.348 1.00 1.00 H new ATOM 0 HA2 GLY A 51 51.912 11.500 -26.260 1.00 1.00 H new ATOM 0 HA3 GLY A 51 51.951 9.750 -26.158 1.00 1.00 H new ATOM 825 N ASP A 52 50.389 11.577 -28.452 1.00 1.00 N ATOM 826 CA ASP A 52 49.980 11.620 -29.858 1.00 1.00 C ATOM 827 C ASP A 52 51.190 11.705 -30.795 1.00 1.00 C ATOM 828 O ASP A 52 52.183 12.369 -30.490 1.00 1.00 O ATOM 829 CB ASP A 52 49.063 12.826 -30.069 1.00 1.00 C ATOM 830 CG ASP A 52 47.741 12.599 -29.344 1.00 1.00 C ATOM 831 OD1 ASP A 52 47.428 11.455 -29.063 1.00 1.00 O ATOM 832 OD2 ASP A 52 47.062 13.578 -29.067 1.00 1.00 O ATOM 0 H ASP A 52 50.192 12.431 -27.931 1.00 1.00 H new ATOM 0 HA ASP A 52 49.449 10.698 -30.096 1.00 1.00 H new ATOM 0 HB2 ASP A 52 49.543 13.730 -29.695 1.00 1.00 H new ATOM 0 HB3 ASP A 52 48.884 12.977 -31.134 1.00 1.00 H new ATOM 837 N TRP A 53 51.096 11.026 -31.939 1.00 1.00 N ATOM 838 CA TRP A 53 52.185 11.021 -32.915 1.00 1.00 C ATOM 839 C TRP A 53 52.193 12.316 -33.728 1.00 1.00 C ATOM 840 O TRP A 53 51.299 12.554 -34.541 1.00 1.00 O ATOM 841 CB TRP A 53 52.020 9.821 -33.855 1.00 1.00 C ATOM 842 CG TRP A 53 53.141 9.782 -34.847 1.00 1.00 C ATOM 843 CD1 TRP A 53 54.343 9.193 -34.645 1.00 1.00 C ATOM 844 CD2 TRP A 53 53.176 10.333 -36.195 1.00 1.00 C ATOM 845 NE1 TRP A 53 55.115 9.351 -35.784 1.00 1.00 N ATOM 846 CE2 TRP A 53 54.439 10.048 -36.766 1.00 1.00 C ATOM 847 CE3 TRP A 53 52.244 11.047 -36.968 1.00 1.00 C ATOM 848 CZ2 TRP A 53 54.765 10.456 -38.059 1.00 1.00 C ATOM 849 CZ3 TRP A 53 52.569 11.459 -38.270 1.00 1.00 C ATOM 850 CH2 TRP A 53 53.828 11.165 -38.815 1.00 1.00 C ATOM 0 H TRP A 53 50.282 10.475 -32.211 1.00 1.00 H new ATOM 0 HA TRP A 53 53.132 10.945 -32.381 1.00 1.00 H new ATOM 0 HB2 TRP A 53 52.004 8.897 -33.277 1.00 1.00 H new ATOM 0 HB3 TRP A 53 51.065 9.887 -34.377 1.00 1.00 H new ATOM 0 HD1 TRP A 53 54.650 8.683 -33.744 1.00 1.00 H new ATOM 0 HE1 TRP A 53 56.066 8.996 -35.885 1.00 1.00 H new ATOM 0 HE3 TRP A 53 51.272 11.280 -36.558 1.00 1.00 H new ATOM 0 HZ2 TRP A 53 55.735 10.225 -38.473 1.00 1.00 H new ATOM 0 HZ3 TRP A 53 51.845 12.006 -38.856 1.00 1.00 H new ATOM 0 HH2 TRP A 53 54.072 11.486 -39.817 1.00 1.00 H new ATOM 861 N GLU A 54 53.210 13.148 -33.506 1.00 1.00 N ATOM 862 CA GLU A 54 53.315 14.415 -34.231 1.00 1.00 C ATOM 863 C GLU A 54 54.662 15.097 -33.967 1.00 1.00 C ATOM 864 O GLU A 54 54.741 16.322 -33.861 1.00 1.00 O ATOM 865 CB GLU A 54 52.169 15.344 -33.824 1.00 1.00 C ATOM 866 CG GLU A 54 52.250 15.657 -32.329 1.00 1.00 C ATOM 867 CD GLU A 54 51.073 16.539 -31.919 1.00 1.00 C ATOM 868 OE1 GLU A 54 49.978 16.287 -32.394 1.00 1.00 O ATOM 869 OE2 GLU A 54 51.284 17.451 -31.138 1.00 1.00 O ATOM 0 H GLU A 54 53.963 12.972 -32.840 1.00 1.00 H new ATOM 0 HA GLU A 54 53.248 14.202 -35.298 1.00 1.00 H new ATOM 0 HB2 GLU A 54 52.218 16.268 -34.400 1.00 1.00 H new ATOM 0 HB3 GLU A 54 51.212 14.876 -34.054 1.00 1.00 H new ATOM 0 HG2 GLU A 54 52.240 14.731 -31.754 1.00 1.00 H new ATOM 0 HG3 GLU A 54 53.190 16.162 -32.104 1.00 1.00 H new ATOM 876 N LYS A 55 55.713 14.288 -33.864 1.00 1.00 N ATOM 877 CA LYS A 55 57.059 14.802 -33.606 1.00 1.00 C ATOM 878 C LYS A 55 57.559 15.708 -34.742 1.00 1.00 C ATOM 879 O LYS A 55 58.124 16.773 -34.484 1.00 1.00 O ATOM 880 CB LYS A 55 58.025 13.623 -33.424 1.00 1.00 C ATOM 881 CG LYS A 55 57.749 12.929 -32.083 1.00 1.00 C ATOM 882 CD LYS A 55 58.598 11.655 -31.967 1.00 1.00 C ATOM 883 CE LYS A 55 60.082 12.013 -31.844 1.00 1.00 C ATOM 884 NZ LYS A 55 60.830 10.834 -31.324 1.00 1.00 N ATOM 0 H LYS A 55 55.661 13.273 -33.955 1.00 1.00 H new ATOM 0 HA LYS A 55 57.019 15.405 -32.699 1.00 1.00 H new ATOM 0 HB2 LYS A 55 57.906 12.913 -34.243 1.00 1.00 H new ATOM 0 HB3 LYS A 55 59.056 13.977 -33.456 1.00 1.00 H new ATOM 0 HG2 LYS A 55 57.979 13.605 -31.260 1.00 1.00 H new ATOM 0 HG3 LYS A 55 56.691 12.679 -32.004 1.00 1.00 H new ATOM 0 HD2 LYS A 55 58.283 11.078 -31.097 1.00 1.00 H new ATOM 0 HD3 LYS A 55 58.441 11.024 -32.842 1.00 1.00 H new ATOM 0 HE2 LYS A 55 60.478 12.310 -32.815 1.00 1.00 H new ATOM 0 HE3 LYS A 55 60.209 12.863 -31.174 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 61.839 11.073 -31.239 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 60.457 10.570 -30.390 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 60.718 10.035 -31.980 1.00 1.00 H new ATOM 898 N LYS A 56 57.357 15.284 -35.990 1.00 1.00 N ATOM 899 CA LYS A 56 57.801 16.071 -37.147 1.00 1.00 C ATOM 900 C LYS A 56 59.172 16.703 -36.882 1.00 1.00 C ATOM 901 O LYS A 56 59.892 16.290 -35.972 1.00 1.00 O ATOM 902 CB LYS A 56 56.778 17.168 -37.473 1.00 1.00 C ATOM 903 CG LYS A 56 55.461 16.523 -37.921 1.00 1.00 C ATOM 904 CD LYS A 56 54.418 17.614 -38.197 1.00 1.00 C ATOM 905 CE LYS A 56 53.071 16.971 -38.542 1.00 1.00 C ATOM 906 NZ LYS A 56 53.215 16.146 -39.777 1.00 1.00 N ATOM 0 H LYS A 56 56.893 14.407 -36.227 1.00 1.00 H new ATOM 0 HA LYS A 56 57.886 15.398 -38.000 1.00 1.00 H new ATOM 0 HB2 LYS A 56 56.609 17.794 -36.597 1.00 1.00 H new ATOM 0 HB3 LYS A 56 57.163 17.817 -38.259 1.00 1.00 H new ATOM 0 HG2 LYS A 56 55.624 15.927 -38.819 1.00 1.00 H new ATOM 0 HG3 LYS A 56 55.096 15.845 -37.150 1.00 1.00 H new ATOM 0 HD2 LYS A 56 54.311 18.257 -37.323 1.00 1.00 H new ATOM 0 HD3 LYS A 56 54.750 18.247 -39.020 1.00 1.00 H new ATOM 0 HE2 LYS A 56 52.730 16.349 -37.714 1.00 1.00 H new ATOM 0 HE3 LYS A 56 52.316 17.742 -38.693 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 52.273 15.934 -40.164 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 53.769 16.671 -40.483 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 53.703 15.257 -39.546 1.00 1.00 H new ATOM 920 N GLY A 57 59.532 17.703 -37.686 1.00 1.00 N ATOM 921 CA GLY A 57 60.819 18.379 -37.530 1.00 1.00 C ATOM 922 C GLY A 57 60.714 19.527 -36.530 1.00 1.00 C ATOM 923 O GLY A 57 59.669 19.727 -35.907 1.00 1.00 O ATOM 0 H GLY A 57 58.955 18.061 -38.447 1.00 1.00 H new ATOM 0 HA2 GLY A 57 61.571 17.665 -37.193 1.00 1.00 H new ATOM 0 HA3 GLY A 57 61.153 18.761 -38.495 1.00 1.00 H new ATOM 927 N ILE A 58 61.803 20.275 -36.378 1.00 1.00 N ATOM 928 CA ILE A 58 61.830 21.402 -35.448 1.00 1.00 C ATOM 929 C ILE A 58 60.830 22.474 -35.877 1.00 1.00 C ATOM 930 O ILE A 58 60.106 23.030 -35.049 1.00 1.00 O ATOM 931 CB ILE A 58 63.242 21.996 -35.397 1.00 1.00 C ATOM 932 CG1 ILE A 58 64.192 20.986 -34.751 1.00 1.00 C ATOM 933 CG2 ILE A 58 63.233 23.283 -34.564 1.00 1.00 C ATOM 934 CD1 ILE A 58 65.637 21.452 -34.940 1.00 1.00 C ATOM 0 H ILE A 58 62.676 20.123 -36.884 1.00 1.00 H new ATOM 0 HA ILE A 58 61.552 21.045 -34.456 1.00 1.00 H new ATOM 0 HB ILE A 58 63.575 22.222 -36.410 1.00 1.00 H new ATOM 0 HG12 ILE A 58 63.967 20.886 -33.689 1.00 1.00 H new ATOM 0 HG13 ILE A 58 64.054 20.002 -35.200 1.00 1.00 H new ATOM 0 HG21 ILE A 58 64.239 23.702 -34.530 1.00 1.00 H new ATOM 0 HG22 ILE A 58 62.554 24.005 -35.018 1.00 1.00 H new ATOM 0 HG23 ILE A 58 62.900 23.058 -33.551 1.00 1.00 H new ATOM 0 HD11 ILE A 58 66.314 20.733 -34.480 1.00 1.00 H new ATOM 0 HD12 ILE A 58 65.858 21.529 -36.005 1.00 1.00 H new ATOM 0 HD13 ILE A 58 65.769 22.427 -34.470 1.00 1.00 H new ATOM 946 N ALA A 59 60.799 22.758 -37.177 1.00 1.00 N ATOM 947 CA ALA A 59 59.891 23.766 -37.720 1.00 1.00 C ATOM 948 C ALA A 59 59.500 23.416 -39.158 1.00 1.00 C ATOM 949 O ALA A 59 58.317 23.401 -39.497 1.00 1.00 O ATOM 950 CB ALA A 59 60.557 25.144 -37.678 1.00 1.00 C ATOM 0 H ALA A 59 61.391 22.305 -37.873 1.00 1.00 H new ATOM 0 HA ALA A 59 58.988 23.787 -37.110 1.00 1.00 H new ATOM 0 HB1 ALA A 59 59.875 25.890 -38.084 1.00 1.00 H new ATOM 0 HB2 ALA A 59 60.801 25.399 -36.647 1.00 1.00 H new ATOM 0 HB3 ALA A 59 61.470 25.125 -38.273 1.00 1.00 H new ATOM 956 N ILE A 60 60.496 23.132 -40.003 1.00 1.00 N ATOM 957 CA ILE A 60 60.220 22.783 -41.399 1.00 1.00 C ATOM 958 C ILE A 60 61.346 21.929 -41.992 1.00 1.00 C ATOM 959 O ILE A 60 61.091 20.989 -42.745 1.00 1.00 O ATOM 960 CB ILE A 60 60.027 24.063 -42.219 1.00 1.00 C ATOM 961 CG1 ILE A 60 59.524 23.710 -43.619 1.00 1.00 C ATOM 962 CG2 ILE A 60 61.354 24.816 -42.332 1.00 1.00 C ATOM 963 CD1 ILE A 60 59.069 24.987 -44.329 1.00 1.00 C ATOM 0 H ILE A 60 61.484 23.136 -39.750 1.00 1.00 H new ATOM 0 HA ILE A 60 59.306 22.191 -41.434 1.00 1.00 H new ATOM 0 HB ILE A 60 59.295 24.696 -41.718 1.00 1.00 H new ATOM 0 HG12 ILE A 60 60.315 23.224 -44.191 1.00 1.00 H new ATOM 0 HG13 ILE A 60 58.698 23.002 -43.553 1.00 1.00 H new ATOM 0 HG21 ILE A 60 61.208 25.725 -42.916 1.00 1.00 H new ATOM 0 HG22 ILE A 60 61.709 25.079 -41.336 1.00 1.00 H new ATOM 0 HG23 ILE A 60 62.091 24.182 -42.825 1.00 1.00 H new ATOM 0 HD11 ILE A 60 58.710 24.740 -45.328 1.00 1.00 H new ATOM 0 HD12 ILE A 60 58.265 25.453 -43.759 1.00 1.00 H new ATOM 0 HD13 ILE A 60 59.908 25.679 -44.406 1.00 1.00 H new ATOM 975 N ASP A 61 62.587 22.266 -41.641 1.00 1.00 N ATOM 976 CA ASP A 61 63.753 21.527 -42.130 1.00 1.00 C ATOM 977 C ASP A 61 63.823 21.539 -43.659 1.00 1.00 C ATOM 978 O ASP A 61 62.918 22.041 -44.325 1.00 1.00 O ATOM 979 CB ASP A 61 63.706 20.085 -41.615 1.00 1.00 C ATOM 980 CG ASP A 61 64.915 19.308 -42.123 1.00 1.00 C ATOM 981 OD1 ASP A 61 66.025 19.702 -41.804 1.00 1.00 O ATOM 982 OD2 ASP A 61 64.714 18.329 -42.823 1.00 1.00 O ATOM 0 H ASP A 61 62.812 23.044 -41.021 1.00 1.00 H new ATOM 0 HA ASP A 61 64.649 22.019 -41.753 1.00 1.00 H new ATOM 0 HB2 ASP A 61 63.692 20.080 -40.525 1.00 1.00 H new ATOM 0 HB3 ASP A 61 62.787 19.602 -41.947 1.00 1.00 H new ATOM 987 N PHE A 62 64.912 20.993 -44.210 1.00 1.00 N ATOM 988 CA PHE A 62 65.089 20.960 -45.663 1.00 1.00 C ATOM 989 C PHE A 62 66.259 20.059 -46.055 1.00 1.00 C ATOM 990 O PHE A 62 66.304 19.646 -47.204 1.00 1.00 O ATOM 991 CB PHE A 62 65.348 22.379 -46.177 1.00 1.00 C ATOM 992 CG PHE A 62 65.526 22.373 -47.681 1.00 1.00 C ATOM 993 CD1 PHE A 62 64.408 22.332 -48.528 1.00 1.00 C ATOM 994 CD2 PHE A 62 66.815 22.416 -48.226 1.00 1.00 C ATOM 995 CE1 PHE A 62 64.586 22.340 -49.920 1.00 1.00 C ATOM 996 CE2 PHE A 62 66.990 22.422 -49.616 1.00 1.00 C ATOM 997 CZ PHE A 62 65.875 22.383 -50.461 1.00 1.00 C ATOM 0 H PHE A 62 65.675 20.573 -43.679 1.00 1.00 H new ATOM 0 HA PHE A 62 64.180 20.558 -46.110 1.00 1.00 H new ATOM 0 HB2 PHE A 62 64.515 23.028 -45.906 1.00 1.00 H new ATOM 0 HB3 PHE A 62 66.239 22.788 -45.701 1.00 1.00 H new ATOM 0 HD1 PHE A 62 63.413 22.294 -48.110 1.00 1.00 H new ATOM 0 HD2 PHE A 62 67.676 22.445 -47.574 1.00 1.00 H new ATOM 0 HE1 PHE A 62 63.727 22.313 -50.574 1.00 1.00 H new ATOM 0 HE2 PHE A 62 67.985 22.457 -50.035 1.00 1.00 H new ATOM 0 HZ PHE A 62 66.010 22.386 -51.533 1.00 1.00 H new TER 1007 PHE A 62