USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 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 59 THR OG1 : rot -48:sc= 0.212 USER MOD Set 1.2: A 62 SER OG : rot -64:sc= 1.24 USER MOD Single : A 1 GLU N :NH3+ -136:sc= 0.0556 (180deg=-0.521) USER MOD Single : A 2 SER OG : rot 180:sc= 0.474 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 90:sc= 0.368 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0326 K(o=-0.033,f=-1.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0748 K(o=-0.075,f=-0.6) USER MOD Single : A 37 SER OG : rot 106:sc= 0.978 USER MOD Single : A 40 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 42 CYS SG : rot 180:sc= 0.0289 USER MOD Single : A 43 LYS NZ :NH3+ -122:sc= -0.102 (180deg=-0.625) USER MOD Single : A 45 ASN : amide:sc= -5.11! C(o=-5.1!,f=-14!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 48 GLN : amide:sc= -0.0316 X(o=-0.032,f=-0.39) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.378 USER MOD Single : A 68 SER OG : rot 84:sc= 0.286 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.694 -34.815 9.377 1.00 0.00 N ATOM 2 CA GLU A 1 2.244 -36.194 9.031 1.00 0.00 C ATOM 3 C GLU A 1 3.166 -36.773 7.962 1.00 0.00 C ATOM 4 O GLU A 1 4.275 -36.283 7.756 1.00 0.00 O ATOM 5 CB GLU A 1 0.807 -36.143 8.511 1.00 0.00 C ATOM 6 CG GLU A 1 -0.117 -35.611 9.608 1.00 0.00 C ATOM 7 CD GLU A 1 -1.563 -35.625 9.126 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.772 -35.864 7.947 1.00 0.00 O ATOM 9 OE2 GLU A 1 -2.441 -35.397 9.941 1.00 0.00 O ATOM 0 H1 GLU A 1 2.677 -34.693 10.410 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.662 -34.668 9.027 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.057 -34.121 8.936 1.00 0.00 H new ATOM 0 HA GLU A 1 2.281 -36.828 9.917 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.750 -35.502 7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.486 -37.138 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.019 -36.222 10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.174 -34.596 9.880 1.00 0.00 H new ATOM 18 N SER A 2 2.699 -37.816 7.286 1.00 0.00 N ATOM 19 CA SER A 2 3.491 -38.452 6.240 1.00 0.00 C ATOM 20 C SER A 2 3.510 -37.583 4.984 1.00 0.00 C ATOM 21 O SER A 2 2.673 -36.695 4.823 1.00 0.00 O ATOM 22 CB SER A 2 2.909 -39.825 5.908 1.00 0.00 C ATOM 23 OG SER A 2 2.594 -39.879 4.522 1.00 0.00 O ATOM 0 H SER A 2 1.783 -38.237 7.442 1.00 0.00 H new ATOM 0 HA SER A 2 4.513 -38.571 6.601 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.625 -40.607 6.161 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.014 -40.007 6.503 1.00 0.00 H new ATOM 0 HG SER A 2 2.222 -40.759 4.305 1.00 0.00 H new ATOM 29 N PRO A 3 4.442 -37.821 4.096 1.00 0.00 N ATOM 30 CA PRO A 3 4.562 -37.041 2.829 1.00 0.00 C ATOM 31 C PRO A 3 3.418 -37.336 1.861 1.00 0.00 C ATOM 32 O PRO A 3 3.113 -36.532 0.981 1.00 0.00 O ATOM 33 CB PRO A 3 5.901 -37.493 2.243 1.00 0.00 C ATOM 34 CG PRO A 3 6.154 -38.843 2.827 1.00 0.00 C ATOM 35 CD PRO A 3 5.481 -38.858 4.199 1.00 0.00 C ATOM 0 HA PRO A 3 4.513 -35.967 3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.859 -37.537 1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.699 -36.797 2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.746 -39.625 2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.224 -39.032 2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.050 -39.834 4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.191 -38.634 4.995 1.00 0.00 H new ATOM 43 N LYS A 4 2.793 -38.497 2.030 1.00 0.00 N ATOM 44 CA LYS A 4 1.687 -38.891 1.165 1.00 0.00 C ATOM 45 C LYS A 4 0.425 -38.112 1.521 1.00 0.00 C ATOM 46 O LYS A 4 -0.587 -38.198 0.824 1.00 0.00 O ATOM 47 CB LYS A 4 1.422 -40.391 1.308 1.00 0.00 C ATOM 48 CG LYS A 4 2.739 -41.161 1.184 1.00 0.00 C ATOM 49 CD LYS A 4 3.352 -40.912 -0.196 1.00 0.00 C ATOM 50 CE LYS A 4 4.332 -42.039 -0.529 1.00 0.00 C ATOM 51 NZ LYS A 4 5.102 -41.682 -1.754 1.00 0.00 N ATOM 0 H LYS A 4 3.031 -39.177 2.752 1.00 0.00 H new ATOM 0 HA LYS A 4 1.959 -38.667 0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.958 -40.598 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.723 -40.721 0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.432 -40.844 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.563 -42.227 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.567 -40.863 -0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.867 -39.952 -0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.013 -42.202 0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.790 -42.972 -0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.768 -42.448 -1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.446 -41.547 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.630 -40.802 -1.588 1.00 0.00 H new ATOM 65 N GLU A 5 0.490 -37.355 2.611 1.00 0.00 N ATOM 66 CA GLU A 5 -0.655 -36.567 3.050 1.00 0.00 C ATOM 67 C GLU A 5 -0.536 -35.127 2.559 1.00 0.00 C ATOM 68 O GLU A 5 0.567 -34.631 2.326 1.00 0.00 O ATOM 69 CB GLU A 5 -0.742 -36.580 4.579 1.00 0.00 C ATOM 70 CG GLU A 5 -0.904 -38.020 5.071 1.00 0.00 C ATOM 71 CD GLU A 5 -2.243 -38.583 4.608 1.00 0.00 C ATOM 72 OE1 GLU A 5 -3.101 -37.797 4.242 1.00 0.00 O ATOM 73 OE2 GLU A 5 -2.391 -39.794 4.627 1.00 0.00 O ATOM 0 H GLU A 5 1.317 -37.271 3.202 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.558 -37.009 2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.157 -36.137 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.585 -35.974 4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.090 -38.637 4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.844 -38.050 6.159 1.00 0.00 H new ATOM 80 N HIS A 6 -1.678 -34.464 2.406 1.00 0.00 N ATOM 81 CA HIS A 6 -1.697 -33.079 1.942 1.00 0.00 C ATOM 82 C HIS A 6 -2.004 -32.136 3.102 1.00 0.00 C ATOM 83 O HIS A 6 -2.834 -32.442 3.957 1.00 0.00 O ATOM 84 CB HIS A 6 -2.754 -32.910 0.850 1.00 0.00 C ATOM 85 CG HIS A 6 -2.667 -34.060 -0.116 1.00 0.00 C ATOM 86 ND1 HIS A 6 -1.597 -34.215 -0.985 1.00 0.00 N ATOM 87 CD2 HIS A 6 -3.507 -35.117 -0.363 1.00 0.00 C ATOM 88 CE1 HIS A 6 -1.820 -35.328 -1.707 1.00 0.00 C ATOM 89 NE2 HIS A 6 -2.971 -35.916 -1.368 1.00 0.00 N ATOM 0 H HIS A 6 -2.599 -34.860 2.595 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.716 -32.834 1.536 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.748 -32.870 1.295 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.601 -31.967 0.324 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -4.442 -35.301 0.145 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -1.150 -35.701 -2.468 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -3.371 -36.768 -1.762 1.00 0.00 H new ATOM 98 N ASP A 7 -1.328 -30.988 3.121 1.00 0.00 N ATOM 99 CA ASP A 7 -1.531 -30.003 4.180 1.00 0.00 C ATOM 100 C ASP A 7 -1.704 -28.605 3.592 1.00 0.00 C ATOM 101 O ASP A 7 -0.937 -27.693 3.900 1.00 0.00 O ATOM 102 CB ASP A 7 -0.334 -30.011 5.132 1.00 0.00 C ATOM 103 CG ASP A 7 -0.697 -29.303 6.434 1.00 0.00 C ATOM 104 OD1 ASP A 7 -1.831 -28.870 6.552 1.00 0.00 O ATOM 105 OD2 ASP A 7 0.164 -29.206 7.292 1.00 0.00 O ATOM 0 H ASP A 7 -0.639 -30.719 2.419 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.436 -30.268 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.031 -31.037 5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.517 -29.515 4.664 1.00 0.00 H new ATOM 110 N PRO A 8 -2.693 -28.424 2.756 1.00 0.00 N ATOM 111 CA PRO A 8 -2.970 -27.106 2.113 1.00 0.00 C ATOM 112 C PRO A 8 -3.525 -26.087 3.105 1.00 0.00 C ATOM 113 O PRO A 8 -3.467 -24.880 2.869 1.00 0.00 O ATOM 114 CB PRO A 8 -4.002 -27.436 1.031 1.00 0.00 C ATOM 115 CG PRO A 8 -4.668 -28.694 1.481 1.00 0.00 C ATOM 116 CD PRO A 8 -3.654 -29.455 2.335 1.00 0.00 C ATOM 0 HA PRO A 8 -2.064 -26.648 1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.725 -26.628 0.920 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.523 -27.571 0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.566 -28.470 2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.979 -29.293 0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.131 -29.929 3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.166 -30.245 1.765 1.00 0.00 H new ATOM 124 N PHE A 9 -4.062 -26.583 4.216 1.00 0.00 N ATOM 125 CA PHE A 9 -4.625 -25.709 5.239 1.00 0.00 C ATOM 126 C PHE A 9 -3.589 -24.694 5.710 1.00 0.00 C ATOM 127 O PHE A 9 -3.934 -23.603 6.161 1.00 0.00 O ATOM 128 CB PHE A 9 -5.102 -26.542 6.430 1.00 0.00 C ATOM 129 CG PHE A 9 -6.258 -27.415 6.003 1.00 0.00 C ATOM 130 CD1 PHE A 9 -7.562 -26.909 6.022 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.024 -28.731 5.588 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.633 -27.718 5.626 1.00 0.00 C ATOM 133 CE2 PHE A 9 -7.094 -29.541 5.192 1.00 0.00 C ATOM 134 CZ PHE A 9 -8.400 -29.035 5.211 1.00 0.00 C ATOM 0 H PHE A 9 -4.119 -27.579 4.430 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.470 -25.173 4.806 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.286 -27.159 6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.409 -25.887 7.246 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.742 -25.894 6.342 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.017 -29.121 5.573 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.639 -27.327 5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.913 -30.556 4.872 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.226 -29.660 4.906 1.00 0.00 H new ATOM 144 N THR A 10 -2.318 -25.064 5.603 1.00 0.00 N ATOM 145 CA THR A 10 -1.238 -24.179 6.023 1.00 0.00 C ATOM 146 C THR A 10 -1.373 -22.812 5.358 1.00 0.00 C ATOM 147 O THR A 10 -1.045 -21.791 5.961 1.00 0.00 O ATOM 148 CB THR A 10 0.114 -24.796 5.657 1.00 0.00 C ATOM 149 OG1 THR A 10 0.198 -26.103 6.205 1.00 0.00 O ATOM 150 CG2 THR A 10 1.242 -23.930 6.219 1.00 0.00 C ATOM 0 H THR A 10 -2.012 -25.963 5.232 1.00 0.00 H new ATOM 0 HA THR A 10 -1.299 -24.051 7.104 1.00 0.00 H new ATOM 0 HB THR A 10 0.209 -24.849 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.146 -26.752 5.556 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.204 -24.371 5.957 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.176 -22.927 5.797 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.152 -23.874 7.304 1.00 0.00 H new ATOM 158 N TYR A 11 -1.855 -22.808 4.114 1.00 0.00 N ATOM 159 CA TYR A 11 -2.027 -21.561 3.367 1.00 0.00 C ATOM 160 C TYR A 11 -3.498 -21.320 3.049 1.00 0.00 C ATOM 161 O TYR A 11 -4.195 -22.211 2.567 1.00 0.00 O ATOM 162 CB TYR A 11 -1.230 -21.625 2.063 1.00 0.00 C ATOM 163 CG TYR A 11 0.236 -21.801 2.380 1.00 0.00 C ATOM 164 CD1 TYR A 11 1.011 -20.692 2.740 1.00 0.00 C ATOM 165 CD2 TYR A 11 0.819 -23.072 2.312 1.00 0.00 C ATOM 166 CE1 TYR A 11 2.370 -20.854 3.034 1.00 0.00 C ATOM 167 CE2 TYR A 11 2.179 -23.233 2.607 1.00 0.00 C ATOM 168 CZ TYR A 11 2.954 -22.125 2.967 1.00 0.00 C ATOM 169 OH TYR A 11 4.294 -22.284 3.256 1.00 0.00 O ATOM 0 H TYR A 11 -2.131 -23.648 3.605 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.662 -20.739 3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.583 -22.453 1.449 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.382 -20.713 1.486 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.560 -19.712 2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.221 -23.927 2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.968 -19.999 3.312 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.630 -24.213 2.557 1.00 0.00 H new ATOM 0 HH TYR A 11 4.539 -23.228 3.163 1.00 0.00 H new ATOM 179 N ASP A 12 -3.958 -20.101 3.321 1.00 0.00 N ATOM 180 CA ASP A 12 -5.347 -19.735 3.061 1.00 0.00 C ATOM 181 C ASP A 12 -5.499 -18.217 3.019 1.00 0.00 C ATOM 182 O ASP A 12 -6.517 -17.696 2.565 1.00 0.00 O ATOM 183 CB ASP A 12 -6.256 -20.311 4.150 1.00 0.00 C ATOM 184 CG ASP A 12 -6.362 -21.825 3.996 1.00 0.00 C ATOM 185 OD1 ASP A 12 -6.544 -22.274 2.877 1.00 0.00 O ATOM 186 OD2 ASP A 12 -6.266 -22.511 5.000 1.00 0.00 O ATOM 0 H ASP A 12 -3.391 -19.353 3.720 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.637 -20.147 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.859 -20.065 5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.246 -19.860 4.084 1.00 0.00 H new ATOM 191 N TYR A 13 -4.477 -17.514 3.498 1.00 0.00 N ATOM 192 CA TYR A 13 -4.499 -16.054 3.516 1.00 0.00 C ATOM 193 C TYR A 13 -4.066 -15.492 2.167 1.00 0.00 C ATOM 194 O TYR A 13 -3.452 -14.430 2.101 1.00 0.00 O ATOM 195 CB TYR A 13 -3.554 -15.531 4.599 1.00 0.00 C ATOM 196 CG TYR A 13 -4.074 -15.913 5.963 1.00 0.00 C ATOM 197 CD1 TYR A 13 -4.029 -17.249 6.380 1.00 0.00 C ATOM 198 CD2 TYR A 13 -4.598 -14.932 6.815 1.00 0.00 C ATOM 199 CE1 TYR A 13 -4.507 -17.603 7.648 1.00 0.00 C ATOM 200 CE2 TYR A 13 -5.077 -15.286 8.082 1.00 0.00 C ATOM 201 CZ TYR A 13 -5.032 -16.622 8.499 1.00 0.00 C ATOM 202 OH TYR A 13 -5.502 -16.971 9.748 1.00 0.00 O ATOM 0 H TYR A 13 -3.626 -17.929 3.878 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.519 -15.732 3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.556 -15.943 4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.466 -14.447 4.524 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.626 -18.006 5.724 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.632 -13.901 6.494 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.471 -18.633 7.970 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.481 -14.529 8.738 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.830 -16.171 10.209 1.00 0.00 H new ATOM 212 N GLN A 14 -4.372 -16.216 1.095 1.00 0.00 N ATOM 213 CA GLN A 14 -3.989 -15.781 -0.245 1.00 0.00 C ATOM 214 C GLN A 14 -4.430 -14.343 -0.513 1.00 0.00 C ATOM 215 O GLN A 14 -3.631 -13.512 -0.942 1.00 0.00 O ATOM 216 CB GLN A 14 -4.618 -16.700 -1.291 1.00 0.00 C ATOM 217 CG GLN A 14 -4.141 -18.137 -1.065 1.00 0.00 C ATOM 218 CD GLN A 14 -4.879 -19.082 -2.007 1.00 0.00 C ATOM 219 OE1 GLN A 14 -5.943 -18.739 -2.522 1.00 0.00 O ATOM 220 NE2 GLN A 14 -4.375 -20.257 -2.264 1.00 0.00 N ATOM 0 H GLN A 14 -4.880 -17.100 1.126 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.902 -15.828 -0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.705 -16.652 -1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.344 -16.369 -2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.067 -18.204 -1.236 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.318 -18.430 -0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.493 -20.538 -1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.863 -20.895 -2.893 1.00 0.00 H new ATOM 229 N SER A 15 -5.705 -14.059 -0.272 1.00 0.00 N ATOM 230 CA SER A 15 -6.237 -12.721 -0.507 1.00 0.00 C ATOM 231 C SER A 15 -5.968 -11.797 0.680 1.00 0.00 C ATOM 232 O SER A 15 -5.809 -10.587 0.513 1.00 0.00 O ATOM 233 CB SER A 15 -7.741 -12.804 -0.758 1.00 0.00 C ATOM 234 OG SER A 15 -8.237 -11.508 -1.066 1.00 0.00 O ATOM 0 H SER A 15 -6.385 -14.731 0.083 1.00 0.00 H new ATOM 0 HA SER A 15 -5.735 -12.306 -1.381 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.947 -13.490 -1.580 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.247 -13.200 0.122 1.00 0.00 H new ATOM 0 HG SER A 15 -9.202 -11.557 -1.229 1.00 0.00 H new ATOM 240 N LEU A 16 -5.929 -12.372 1.877 1.00 0.00 N ATOM 241 CA LEU A 16 -5.692 -11.590 3.089 1.00 0.00 C ATOM 242 C LEU A 16 -4.207 -11.284 3.265 1.00 0.00 C ATOM 243 O LEU A 16 -3.826 -10.496 4.132 1.00 0.00 O ATOM 244 CB LEU A 16 -6.210 -12.362 4.305 1.00 0.00 C ATOM 245 CG LEU A 16 -7.670 -12.756 4.067 1.00 0.00 C ATOM 246 CD1 LEU A 16 -8.180 -13.584 5.246 1.00 0.00 C ATOM 247 CD2 LEU A 16 -8.531 -11.498 3.921 1.00 0.00 C ATOM 0 H LEU A 16 -6.057 -13.371 2.036 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.225 -10.644 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.603 -13.252 4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.128 -11.748 5.202 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.734 -13.346 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.220 -13.862 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.575 -14.485 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.110 -12.996 6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.569 -11.785 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.463 -10.903 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.175 -10.909 3.075 1.00 0.00 H new ATOM 259 N GLN A 17 -3.374 -11.909 2.444 1.00 0.00 N ATOM 260 CA GLN A 17 -1.934 -11.693 2.523 1.00 0.00 C ATOM 261 C GLN A 17 -1.565 -10.298 2.034 1.00 0.00 C ATOM 262 O GLN A 17 -0.819 -9.575 2.694 1.00 0.00 O ATOM 263 CB GLN A 17 -1.201 -12.732 1.670 1.00 0.00 C ATOM 264 CG GLN A 17 -0.684 -13.864 2.561 1.00 0.00 C ATOM 265 CD GLN A 17 0.584 -13.416 3.279 1.00 0.00 C ATOM 266 OE1 GLN A 17 1.473 -12.828 2.663 1.00 0.00 O ATOM 267 NE2 GLN A 17 0.723 -13.660 4.555 1.00 0.00 N ATOM 0 H GLN A 17 -3.667 -12.565 1.720 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.636 -11.793 3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -1.873 -13.132 0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.370 -12.263 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.446 -14.144 3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.479 -14.749 1.959 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.014 -14.147 5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.569 -13.363 5.042 1.00 0.00 H new ATOM 276 N ILE A 18 -2.081 -9.930 0.867 1.00 0.00 N ATOM 277 CA ILE A 18 -1.786 -8.624 0.287 1.00 0.00 C ATOM 278 C ILE A 18 -2.890 -7.616 0.613 1.00 0.00 C ATOM 279 O ILE A 18 -2.773 -6.431 0.304 1.00 0.00 O ATOM 280 CB ILE A 18 -1.646 -8.766 -1.232 1.00 0.00 C ATOM 281 CG1 ILE A 18 -0.799 -10.006 -1.553 1.00 0.00 C ATOM 282 CG2 ILE A 18 -0.976 -7.521 -1.832 1.00 0.00 C ATOM 283 CD1 ILE A 18 0.528 -9.961 -0.780 1.00 0.00 C ATOM 0 H ILE A 18 -2.702 -10.513 0.306 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.853 -8.255 0.714 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.640 -8.872 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.350 -10.909 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.602 -10.053 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.886 -7.641 -2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.582 -6.641 -1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.015 -7.396 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.118 -10.846 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.084 -9.068 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.325 -9.937 0.291 1.00 0.00 H new ATOM 295 N GLY A 19 -3.962 -8.095 1.233 1.00 0.00 N ATOM 296 CA GLY A 19 -5.082 -7.226 1.583 1.00 0.00 C ATOM 297 C GLY A 19 -4.620 -5.989 2.352 1.00 0.00 C ATOM 298 O GLY A 19 -4.221 -4.987 1.759 1.00 0.00 O ATOM 0 H GLY A 19 -4.081 -9.072 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.600 -6.917 0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.799 -7.782 2.186 1.00 0.00 H new ATOM 302 N GLY A 20 -4.696 -6.065 3.676 1.00 0.00 N ATOM 303 CA GLY A 20 -4.304 -4.950 4.534 1.00 0.00 C ATOM 304 C GLY A 20 -3.073 -4.216 4.003 1.00 0.00 C ATOM 305 O GLY A 20 -2.924 -3.012 4.211 1.00 0.00 O ATOM 0 H GLY A 20 -5.026 -6.888 4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.135 -4.249 4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.098 -5.322 5.538 1.00 0.00 H new ATOM 309 N LEU A 21 -2.187 -4.941 3.333 1.00 0.00 N ATOM 310 CA LEU A 21 -0.969 -4.337 2.801 1.00 0.00 C ATOM 311 C LEU A 21 -1.287 -3.244 1.782 1.00 0.00 C ATOM 312 O LEU A 21 -0.776 -2.127 1.878 1.00 0.00 O ATOM 313 CB LEU A 21 -0.110 -5.411 2.136 1.00 0.00 C ATOM 314 CG LEU A 21 0.978 -5.881 3.104 1.00 0.00 C ATOM 315 CD1 LEU A 21 0.331 -6.399 4.391 1.00 0.00 C ATOM 316 CD2 LEU A 21 1.786 -7.007 2.451 1.00 0.00 C ATOM 0 H LEU A 21 -2.285 -5.939 3.145 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.428 -3.885 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.733 -6.254 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.345 -5.015 1.228 1.00 0.00 H new ATOM 0 HG LEU A 21 1.638 -5.047 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.107 -6.733 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.246 -5.599 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.329 -7.234 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.562 -7.344 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.124 -7.840 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.248 -6.639 1.535 1.00 0.00 H new ATOM 328 N VAL A 22 -2.121 -3.575 0.802 1.00 0.00 N ATOM 329 CA VAL A 22 -2.481 -2.615 -0.238 1.00 0.00 C ATOM 330 C VAL A 22 -3.334 -1.482 0.324 1.00 0.00 C ATOM 331 O VAL A 22 -3.105 -0.315 0.014 1.00 0.00 O ATOM 332 CB VAL A 22 -3.241 -3.323 -1.363 1.00 0.00 C ATOM 333 CG1 VAL A 22 -3.582 -2.315 -2.464 1.00 0.00 C ATOM 334 CG2 VAL A 22 -2.363 -4.432 -1.944 1.00 0.00 C ATOM 0 H VAL A 22 -2.558 -4.492 0.705 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.560 -2.186 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.162 -3.752 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.123 -2.820 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.204 -1.521 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.662 -1.886 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.900 -4.939 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.444 -3.999 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.118 -5.150 -1.161 1.00 0.00 H new ATOM 344 N ILE A 23 -4.323 -1.828 1.140 1.00 0.00 N ATOM 345 CA ILE A 23 -5.205 -0.819 1.718 1.00 0.00 C ATOM 346 C ILE A 23 -4.432 0.142 2.616 1.00 0.00 C ATOM 347 O ILE A 23 -4.604 1.360 2.531 1.00 0.00 O ATOM 348 CB ILE A 23 -6.308 -1.499 2.529 1.00 0.00 C ATOM 349 CG1 ILE A 23 -6.872 -2.688 1.741 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.426 -0.495 2.811 1.00 0.00 C ATOM 351 CD1 ILE A 23 -7.207 -2.256 0.313 1.00 0.00 C ATOM 0 H ILE A 23 -4.534 -2.788 1.414 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.645 -0.247 0.901 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.894 -1.857 3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.146 -3.501 1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.766 -3.070 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.213 -0.979 3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.025 0.346 3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.838 -0.135 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.607 -3.106 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.949 -1.458 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.304 -1.895 -0.179 1.00 0.00 H new ATOM 363 N ALA A 24 -3.585 -0.406 3.479 1.00 0.00 N ATOM 364 CA ALA A 24 -2.800 0.420 4.390 1.00 0.00 C ATOM 365 C ALA A 24 -1.949 1.423 3.617 1.00 0.00 C ATOM 366 O ALA A 24 -1.861 2.593 3.992 1.00 0.00 O ATOM 367 CB ALA A 24 -1.894 -0.467 5.246 1.00 0.00 C ATOM 0 H ALA A 24 -3.424 -1.409 3.568 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.488 0.969 5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.311 0.156 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.505 -1.160 5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.220 -1.030 4.600 1.00 0.00 H new ATOM 373 N GLY A 25 -1.326 0.960 2.539 1.00 0.00 N ATOM 374 CA GLY A 25 -0.484 1.828 1.725 1.00 0.00 C ATOM 375 C GLY A 25 -1.289 2.976 1.126 1.00 0.00 C ATOM 376 O GLY A 25 -0.799 4.099 1.022 1.00 0.00 O ATOM 0 H GLY A 25 -1.387 -0.004 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.326 2.228 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.024 1.247 0.925 1.00 0.00 H new ATOM 380 N ILE A 26 -2.521 2.685 0.721 1.00 0.00 N ATOM 381 CA ILE A 26 -3.380 3.701 0.120 1.00 0.00 C ATOM 382 C ILE A 26 -3.681 4.836 1.098 1.00 0.00 C ATOM 383 O ILE A 26 -3.661 6.008 0.720 1.00 0.00 O ATOM 384 CB ILE A 26 -4.691 3.069 -0.347 1.00 0.00 C ATOM 385 CG1 ILE A 26 -4.417 2.176 -1.557 1.00 0.00 C ATOM 386 CG2 ILE A 26 -5.681 4.168 -0.743 1.00 0.00 C ATOM 387 CD1 ILE A 26 -5.640 1.301 -1.829 1.00 0.00 C ATOM 0 H ILE A 26 -2.946 1.761 0.797 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.847 4.120 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.115 2.475 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.192 2.788 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.543 1.551 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.615 3.714 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.875 4.810 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.259 4.764 -1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.447 0.663 -2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.844 0.680 -0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.503 1.935 -2.033 1.00 0.00 H new ATOM 399 N LEU A 27 -3.974 4.491 2.349 1.00 0.00 N ATOM 400 CA LEU A 27 -4.291 5.509 3.350 1.00 0.00 C ATOM 401 C LEU A 27 -3.084 6.411 3.605 1.00 0.00 C ATOM 402 O LEU A 27 -3.207 7.632 3.612 1.00 0.00 O ATOM 403 CB LEU A 27 -4.738 4.841 4.656 1.00 0.00 C ATOM 404 CG LEU A 27 -5.245 5.901 5.649 1.00 0.00 C ATOM 405 CD1 LEU A 27 -6.507 6.585 5.109 1.00 0.00 C ATOM 406 CD2 LEU A 27 -5.575 5.224 6.981 1.00 0.00 C ATOM 0 H LEU A 27 -3.999 3.531 2.692 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.105 6.126 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.527 4.117 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.906 4.290 5.094 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.468 6.652 5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.851 7.331 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.280 7.070 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.288 5.840 4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.935 5.970 7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.347 4.470 6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.679 4.748 7.379 1.00 0.00 H new ATOM 418 N PHE A 28 -1.920 5.800 3.804 1.00 0.00 N ATOM 419 CA PHE A 28 -0.689 6.548 4.042 1.00 0.00 C ATOM 420 C PHE A 28 -0.287 7.319 2.788 1.00 0.00 C ATOM 421 O PHE A 28 0.224 8.429 2.875 1.00 0.00 O ATOM 422 CB PHE A 28 0.446 5.598 4.442 1.00 0.00 C ATOM 423 CG PHE A 28 0.396 5.346 5.932 1.00 0.00 C ATOM 424 CD1 PHE A 28 -0.768 4.828 6.509 1.00 0.00 C ATOM 425 CD2 PHE A 28 1.511 5.628 6.736 1.00 0.00 C ATOM 426 CE1 PHE A 28 -0.821 4.592 7.888 1.00 0.00 C ATOM 427 CE2 PHE A 28 1.456 5.393 8.115 1.00 0.00 C ATOM 428 CZ PHE A 28 0.291 4.875 8.691 1.00 0.00 C ATOM 0 H PHE A 28 -1.803 4.787 3.805 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.869 7.252 4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.353 4.657 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.409 6.030 4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.626 4.610 5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.411 6.026 6.291 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.720 4.191 8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.313 5.612 8.734 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.249 4.693 9.755 1.00 0.00 H new ATOM 438 N ILE A 29 -0.522 6.719 1.624 1.00 0.00 N ATOM 439 CA ILE A 29 -0.185 7.363 0.354 1.00 0.00 C ATOM 440 C ILE A 29 -1.066 8.585 0.157 1.00 0.00 C ATOM 441 O ILE A 29 -0.582 9.663 -0.183 1.00 0.00 O ATOM 442 CB ILE A 29 -0.365 6.385 -0.806 1.00 0.00 C ATOM 443 CG1 ILE A 29 0.875 5.492 -0.898 1.00 0.00 C ATOM 444 CG2 ILE A 29 -0.538 7.162 -2.114 1.00 0.00 C ATOM 445 CD1 ILE A 29 0.601 4.322 -1.841 1.00 0.00 C ATOM 0 H ILE A 29 -0.942 5.794 1.532 1.00 0.00 H new ATOM 0 HA ILE A 29 0.860 7.674 0.378 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.250 5.772 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.725 6.071 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.140 5.119 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.666 6.461 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.416 7.803 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.345 7.775 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.487 3.690 -1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.237 3.737 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.357 4.703 -2.833 1.00 0.00 H new ATOM 457 N LEU A 30 -2.348 8.431 0.457 1.00 0.00 N ATOM 458 CA LEU A 30 -3.261 9.539 0.400 1.00 0.00 C ATOM 459 C LEU A 30 -2.774 10.476 1.462 1.00 0.00 C ATOM 460 O LEU A 30 -2.852 11.693 1.349 1.00 0.00 O ATOM 461 CB LEU A 30 -4.698 9.091 0.699 1.00 0.00 C ATOM 462 CG LEU A 30 -5.522 9.081 -0.591 1.00 0.00 C ATOM 463 CD1 LEU A 30 -6.777 8.229 -0.389 1.00 0.00 C ATOM 464 CD2 LEU A 30 -5.932 10.513 -0.945 1.00 0.00 C ATOM 0 H LEU A 30 -2.769 7.546 0.741 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.286 9.997 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.692 8.096 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.154 9.763 1.426 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.924 8.662 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.364 8.222 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.488 7.209 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.375 8.648 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.519 10.507 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.530 10.931 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.040 11.122 -1.089 1.00 0.00 H new ATOM 476 N GLY A 31 -2.263 9.845 2.510 1.00 0.00 N ATOM 477 CA GLY A 31 -1.732 10.570 3.660 1.00 0.00 C ATOM 478 C GLY A 31 -0.612 11.531 3.253 1.00 0.00 C ATOM 479 O GLY A 31 -0.636 12.708 3.610 1.00 0.00 O ATOM 0 H GLY A 31 -2.204 8.830 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.535 11.129 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.353 9.860 4.395 1.00 0.00 H new ATOM 483 N ILE A 32 0.379 11.020 2.522 1.00 0.00 N ATOM 484 CA ILE A 32 1.508 11.844 2.094 1.00 0.00 C ATOM 485 C ILE A 32 1.069 12.918 1.103 1.00 0.00 C ATOM 486 O ILE A 32 1.475 14.075 1.214 1.00 0.00 O ATOM 487 CB ILE A 32 2.582 10.963 1.449 1.00 0.00 C ATOM 488 CG1 ILE A 32 3.133 9.985 2.489 1.00 0.00 C ATOM 489 CG2 ILE A 32 3.723 11.841 0.927 1.00 0.00 C ATOM 490 CD1 ILE A 32 3.895 8.862 1.784 1.00 0.00 C ATOM 0 H ILE A 32 0.423 10.048 2.216 1.00 0.00 H new ATOM 0 HA ILE A 32 1.915 12.338 2.976 1.00 0.00 H new ATOM 0 HB ILE A 32 2.142 10.408 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.794 10.508 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.317 9.569 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.486 11.212 0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.335 12.539 0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.162 12.398 1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.287 8.166 2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.221 8.332 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.721 9.286 1.212 1.00 0.00 H new ATOM 502 N LEU A 33 0.242 12.535 0.135 1.00 0.00 N ATOM 503 CA LEU A 33 -0.234 13.488 -0.866 1.00 0.00 C ATOM 504 C LEU A 33 -1.100 14.554 -0.208 1.00 0.00 C ATOM 505 O LEU A 33 -0.973 15.743 -0.497 1.00 0.00 O ATOM 506 CB LEU A 33 -1.051 12.760 -1.938 1.00 0.00 C ATOM 507 CG LEU A 33 -0.180 11.719 -2.653 1.00 0.00 C ATOM 508 CD1 LEU A 33 -1.038 10.951 -3.659 1.00 0.00 C ATOM 509 CD2 LEU A 33 0.969 12.410 -3.399 1.00 0.00 C ATOM 0 H LEU A 33 -0.110 11.584 0.021 1.00 0.00 H new ATOM 0 HA LEU A 33 0.630 13.963 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.912 12.272 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.439 13.478 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 33 0.235 11.035 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.424 10.210 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.852 10.449 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.451 11.646 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.579 11.660 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.561 13.100 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.585 12.962 -2.688 1.00 0.00 H new ATOM 521 N ILE A 34 -1.984 14.113 0.675 1.00 0.00 N ATOM 522 CA ILE A 34 -2.883 15.030 1.374 1.00 0.00 C ATOM 523 C ILE A 34 -2.105 16.048 2.201 1.00 0.00 C ATOM 524 O ILE A 34 -2.407 17.240 2.172 1.00 0.00 O ATOM 525 CB ILE A 34 -3.817 14.251 2.300 1.00 0.00 C ATOM 526 CG1 ILE A 34 -4.933 13.603 1.479 1.00 0.00 C ATOM 527 CG2 ILE A 34 -4.432 15.207 3.325 1.00 0.00 C ATOM 528 CD1 ILE A 34 -5.597 12.499 2.304 1.00 0.00 C ATOM 0 H ILE A 34 -2.101 13.131 0.926 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.463 15.559 0.618 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.250 13.476 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.671 14.352 1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.527 13.188 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.098 14.652 3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.639 15.669 3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.997 15.982 2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.393 12.037 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.855 11.745 2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.017 12.928 3.214 1.00 0.00 H new ATOM 540 N VAL A 35 -1.116 15.575 2.952 1.00 0.00 N ATOM 541 CA VAL A 35 -0.323 16.465 3.793 1.00 0.00 C ATOM 542 C VAL A 35 0.307 17.578 2.964 1.00 0.00 C ATOM 543 O VAL A 35 0.166 18.758 3.285 1.00 0.00 O ATOM 544 CB VAL A 35 0.777 15.667 4.497 1.00 0.00 C ATOM 545 CG1 VAL A 35 1.780 16.631 5.133 1.00 0.00 C ATOM 546 CG2 VAL A 35 0.156 14.788 5.585 1.00 0.00 C ATOM 0 H VAL A 35 -0.846 14.592 2.996 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.983 16.915 4.534 1.00 0.00 H new ATOM 0 HB VAL A 35 1.289 15.037 3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.563 16.063 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.224 17.257 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.268 17.262 5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.940 14.220 6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.357 15.417 6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.558 14.100 5.133 1.00 0.00 H new ATOM 556 N LEU A 36 1.000 17.198 1.898 1.00 0.00 N ATOM 557 CA LEU A 36 1.647 18.175 1.028 1.00 0.00 C ATOM 558 C LEU A 36 0.613 19.033 0.301 1.00 0.00 C ATOM 559 O LEU A 36 0.841 20.217 0.049 1.00 0.00 O ATOM 560 CB LEU A 36 2.527 17.451 0.004 1.00 0.00 C ATOM 561 CG LEU A 36 3.559 16.581 0.731 1.00 0.00 C ATOM 562 CD1 LEU A 36 4.381 15.801 -0.293 1.00 0.00 C ATOM 563 CD2 LEU A 36 4.498 17.461 1.566 1.00 0.00 C ATOM 0 H LEU A 36 1.129 16.227 1.615 1.00 0.00 H new ATOM 0 HA LEU A 36 2.262 18.829 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.910 16.832 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.033 18.177 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 36 3.035 15.889 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.115 15.183 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.720 15.164 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.896 16.499 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.227 16.832 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.018 18.161 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.917 18.016 2.302 1.00 0.00 H new ATOM 575 N SER A 37 -0.518 18.426 -0.043 1.00 0.00 N ATOM 576 CA SER A 37 -1.578 19.136 -0.753 1.00 0.00 C ATOM 577 C SER A 37 -2.112 20.309 0.066 1.00 0.00 C ATOM 578 O SER A 37 -2.476 21.346 -0.488 1.00 0.00 O ATOM 579 CB SER A 37 -2.725 18.179 -1.072 1.00 0.00 C ATOM 580 OG SER A 37 -2.261 17.169 -1.959 1.00 0.00 O ATOM 0 H SER A 37 -0.725 17.447 0.157 1.00 0.00 H new ATOM 0 HA SER A 37 -1.153 19.527 -1.677 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.103 17.728 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.554 18.724 -1.524 1.00 0.00 H new ATOM 0 HG SER A 37 -2.151 16.328 -1.468 1.00 0.00 H new ATOM 586 N ARG A 38 -2.170 20.137 1.383 1.00 0.00 N ATOM 587 CA ARG A 38 -2.680 21.190 2.256 1.00 0.00 C ATOM 588 C ARG A 38 -1.883 22.481 2.081 1.00 0.00 C ATOM 589 O ARG A 38 -2.435 23.577 2.174 1.00 0.00 O ATOM 590 CB ARG A 38 -2.606 20.740 3.720 1.00 0.00 C ATOM 591 CG ARG A 38 -3.498 19.514 3.936 1.00 0.00 C ATOM 592 CD ARG A 38 -4.459 19.786 5.095 1.00 0.00 C ATOM 593 NE ARG A 38 -5.242 18.594 5.399 1.00 0.00 N ATOM 594 CZ ARG A 38 -6.358 18.672 6.119 1.00 0.00 C ATOM 595 NH1 ARG A 38 -6.765 19.830 6.566 1.00 0.00 N ATOM 596 NH2 ARG A 38 -7.045 17.594 6.379 1.00 0.00 N ATOM 0 H ARG A 38 -1.874 19.289 1.866 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.718 21.381 1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.576 20.502 3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.924 21.551 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.059 19.293 3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.886 18.639 4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.897 20.094 5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.125 20.610 4.838 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.929 17.686 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.227 20.673 6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.620 19.892 7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.727 16.690 6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.900 17.655 6.931 1.00 0.00 H new ATOM 610 N ARG A 39 -0.585 22.345 1.832 1.00 0.00 N ATOM 611 CA ARG A 39 0.272 23.513 1.651 1.00 0.00 C ATOM 612 C ARG A 39 -0.185 24.341 0.455 1.00 0.00 C ATOM 613 O ARG A 39 -0.014 25.561 0.430 1.00 0.00 O ATOM 614 CB ARG A 39 1.720 23.070 1.435 1.00 0.00 C ATOM 615 CG ARG A 39 2.651 24.273 1.601 1.00 0.00 C ATOM 616 CD ARG A 39 3.157 24.327 3.043 1.00 0.00 C ATOM 617 NE ARG A 39 4.250 23.379 3.227 1.00 0.00 N ATOM 618 CZ ARG A 39 4.942 23.339 4.361 1.00 0.00 C ATOM 619 NH1 ARG A 39 4.646 24.156 5.334 1.00 0.00 N ATOM 620 NH2 ARG A 39 5.916 22.482 4.501 1.00 0.00 N ATOM 0 H ARG A 39 -0.106 21.448 1.751 1.00 0.00 H new ATOM 0 HA ARG A 39 0.205 24.126 2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.984 22.291 2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.836 22.641 0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.492 24.194 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.122 25.193 1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.496 25.335 3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.344 24.094 3.731 1.00 0.00 H new ATOM 0 HE ARG A 39 4.487 22.735 2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.884 24.825 5.224 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.177 24.126 6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.146 21.843 3.740 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.447 22.451 5.371 1.00 0.00 H new ATOM 634 N CYS A 40 -0.757 23.670 -0.537 1.00 0.00 N ATOM 635 CA CYS A 40 -1.226 24.353 -1.739 1.00 0.00 C ATOM 636 C CYS A 40 -2.246 25.432 -1.394 1.00 0.00 C ATOM 637 O CYS A 40 -2.176 26.549 -1.905 1.00 0.00 O ATOM 638 CB CYS A 40 -1.859 23.343 -2.696 1.00 0.00 C ATOM 639 SG CYS A 40 -1.464 23.801 -4.403 1.00 0.00 S ATOM 0 H CYS A 40 -0.907 22.661 -0.535 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.368 24.827 -2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.488 22.341 -2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.940 23.320 -2.555 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.000 22.942 -5.218 1.00 0.00 H new ATOM 645 N ARG A 41 -3.196 25.092 -0.531 1.00 0.00 N ATOM 646 CA ARG A 41 -4.226 26.044 -0.139 1.00 0.00 C ATOM 647 C ARG A 41 -3.608 27.322 0.423 1.00 0.00 C ATOM 648 O ARG A 41 -4.052 28.425 0.107 1.00 0.00 O ATOM 649 CB ARG A 41 -5.145 25.418 0.913 1.00 0.00 C ATOM 650 CG ARG A 41 -6.347 26.336 1.150 1.00 0.00 C ATOM 651 CD ARG A 41 -7.249 25.734 2.228 1.00 0.00 C ATOM 652 NE ARG A 41 -8.352 26.640 2.526 1.00 0.00 N ATOM 653 CZ ARG A 41 -8.153 27.766 3.203 1.00 0.00 C ATOM 654 NH1 ARG A 41 -6.951 28.079 3.608 1.00 0.00 N ATOM 655 NH2 ARG A 41 -9.157 28.560 3.461 1.00 0.00 N ATOM 0 H ARG A 41 -3.274 24.174 -0.094 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.804 26.299 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.483 24.437 0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.600 25.267 1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.007 27.325 1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.907 26.465 0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.639 24.773 1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.670 25.544 3.132 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.293 26.405 2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.167 27.459 3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.797 28.943 4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.095 28.316 3.143 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.003 29.424 3.981 1.00 0.00 H new ATOM 669 N CYS A 42 -2.588 27.169 1.263 1.00 0.00 N ATOM 670 CA CYS A 42 -1.931 28.326 1.869 1.00 0.00 C ATOM 671 C CYS A 42 -0.959 28.991 0.895 1.00 0.00 C ATOM 672 O CYS A 42 -0.759 30.205 0.939 1.00 0.00 O ATOM 673 CB CYS A 42 -1.174 27.900 3.128 1.00 0.00 C ATOM 674 SG CYS A 42 -1.599 26.191 3.544 1.00 0.00 S ATOM 0 H CYS A 42 -2.201 26.266 1.538 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.706 29.047 2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.100 27.989 2.966 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.427 28.560 3.957 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.953 25.831 4.613 1.00 0.00 H new ATOM 680 N LYS A 43 -0.340 28.195 0.035 1.00 0.00 N ATOM 681 CA LYS A 43 0.623 28.733 -0.922 1.00 0.00 C ATOM 682 C LYS A 43 -0.069 29.499 -2.051 1.00 0.00 C ATOM 683 O LYS A 43 0.490 30.451 -2.595 1.00 0.00 O ATOM 684 CB LYS A 43 1.461 27.602 -1.523 1.00 0.00 C ATOM 685 CG LYS A 43 2.672 28.197 -2.246 1.00 0.00 C ATOM 686 CD LYS A 43 3.411 27.094 -3.006 1.00 0.00 C ATOM 687 CE LYS A 43 2.903 27.040 -4.450 1.00 0.00 C ATOM 688 NZ LYS A 43 3.343 28.263 -5.180 1.00 0.00 N ATOM 0 H LYS A 43 -0.483 27.187 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 43 1.267 29.425 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.790 26.921 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.859 27.018 -2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.349 28.975 -2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.342 28.668 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.484 27.285 -2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.253 26.132 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.286 26.149 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.815 26.969 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.510 28.766 -5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.865 28.886 -4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.961 27.992 -5.971 1.00 0.00 H new ATOM 702 N PHE A 44 -1.273 29.067 -2.421 1.00 0.00 N ATOM 703 CA PHE A 44 -2.006 29.712 -3.511 1.00 0.00 C ATOM 704 C PHE A 44 -2.406 31.140 -3.164 1.00 0.00 C ATOM 705 O PHE A 44 -2.207 32.056 -3.962 1.00 0.00 O ATOM 706 CB PHE A 44 -3.267 28.914 -3.832 1.00 0.00 C ATOM 707 CG PHE A 44 -4.358 29.865 -4.264 1.00 0.00 C ATOM 708 CD1 PHE A 44 -4.456 30.258 -5.604 1.00 0.00 C ATOM 709 CD2 PHE A 44 -5.270 30.358 -3.321 1.00 0.00 C ATOM 710 CE1 PHE A 44 -5.465 31.143 -6.002 1.00 0.00 C ATOM 711 CE2 PHE A 44 -6.278 31.244 -3.720 1.00 0.00 C ATOM 712 CZ PHE A 44 -6.376 31.637 -5.060 1.00 0.00 C ATOM 0 H PHE A 44 -1.759 28.281 -1.988 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.341 29.741 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.064 28.191 -4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.587 28.348 -2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.753 29.878 -6.331 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.195 30.055 -2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.541 31.445 -7.036 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.981 31.625 -2.993 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.154 32.321 -5.367 1.00 0.00 H new ATOM 722 N ASN A 45 -2.976 31.328 -1.981 1.00 0.00 N ATOM 723 CA ASN A 45 -3.403 32.659 -1.563 1.00 0.00 C ATOM 724 C ASN A 45 -2.195 33.522 -1.236 1.00 0.00 C ATOM 725 O ASN A 45 -1.748 33.577 -0.089 1.00 0.00 O ATOM 726 CB ASN A 45 -4.321 32.561 -0.341 1.00 0.00 C ATOM 727 CG ASN A 45 -4.152 31.207 0.333 1.00 0.00 C ATOM 728 OD1 ASN A 45 -3.030 30.786 0.602 1.00 0.00 O ATOM 729 ND2 ASN A 45 -5.205 30.493 0.623 1.00 0.00 N ATOM 0 H ASN A 45 -3.152 30.588 -1.301 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.954 33.120 -2.383 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.087 33.359 0.364 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.359 32.698 -0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.097 29.584 1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.136 30.844 0.399 1.00 0.00 H new ATOM 736 N GLN A 46 -1.664 34.189 -2.254 1.00 0.00 N ATOM 737 CA GLN A 46 -0.500 35.043 -2.071 1.00 0.00 C ATOM 738 C GLN A 46 -0.793 36.130 -1.042 1.00 0.00 C ATOM 739 O GLN A 46 0.089 36.538 -0.285 1.00 0.00 O ATOM 740 CB GLN A 46 -0.111 35.677 -3.405 1.00 0.00 C ATOM 741 CG GLN A 46 1.261 36.337 -3.278 1.00 0.00 C ATOM 742 CD GLN A 46 1.645 36.999 -4.595 1.00 0.00 C ATOM 743 OE1 GLN A 46 1.074 38.025 -4.967 1.00 0.00 O ATOM 744 NE2 GLN A 46 2.585 36.469 -5.329 1.00 0.00 N ATOM 0 H GLN A 46 -2.020 34.155 -3.209 1.00 0.00 H new ATOM 0 HA GLN A 46 0.328 34.435 -1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.090 34.918 -4.187 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.856 36.417 -3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.244 37.079 -2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.008 35.592 -3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.056 35.619 -5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.848 36.904 -6.213 1.00 0.00 H new ATOM 753 N GLN A 47 -2.037 36.596 -1.019 1.00 0.00 N ATOM 754 CA GLN A 47 -2.438 37.636 -0.079 1.00 0.00 C ATOM 755 C GLN A 47 -2.239 37.169 1.361 1.00 0.00 C ATOM 756 O GLN A 47 -1.730 37.912 2.200 1.00 0.00 O ATOM 757 CB GLN A 47 -3.910 37.995 -0.295 1.00 0.00 C ATOM 758 CG GLN A 47 -4.102 38.555 -1.705 1.00 0.00 C ATOM 759 CD GLN A 47 -5.560 38.950 -1.915 1.00 0.00 C ATOM 760 OE1 GLN A 47 -6.237 39.352 -0.970 1.00 0.00 O ATOM 761 NE2 GLN A 47 -6.087 38.854 -3.105 1.00 0.00 N ATOM 0 H GLN A 47 -2.781 36.272 -1.637 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.816 38.513 -0.255 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.534 37.112 -0.156 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.228 38.730 0.445 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.457 39.421 -1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.808 37.810 -2.444 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.523 38.520 -3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.062 39.113 -3.253 1.00 0.00 H new ATOM 770 N GLN A 48 -2.651 35.936 1.642 1.00 0.00 N ATOM 771 CA GLN A 48 -2.519 35.387 2.988 1.00 0.00 C ATOM 772 C GLN A 48 -1.050 35.148 3.325 1.00 0.00 C ATOM 773 O GLN A 48 -0.581 35.524 4.399 1.00 0.00 O ATOM 774 CB GLN A 48 -3.291 34.067 3.100 1.00 0.00 C ATOM 775 CG GLN A 48 -4.768 34.291 2.749 1.00 0.00 C ATOM 776 CD GLN A 48 -5.515 34.854 3.952 1.00 0.00 C ATOM 777 OE1 GLN A 48 -5.421 34.311 5.053 1.00 0.00 O ATOM 778 NE2 GLN A 48 -6.259 35.919 3.808 1.00 0.00 N ATOM 0 H GLN A 48 -3.075 35.303 0.963 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.933 36.107 3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.858 33.325 2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.205 33.671 4.112 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.849 34.978 1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.222 33.350 2.437 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.336 36.368 2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.763 36.301 4.608 1.00 0.00 H new ATOM 787 N ARG A 49 -0.332 34.525 2.397 1.00 0.00 N ATOM 788 CA ARG A 49 1.086 34.241 2.597 1.00 0.00 C ATOM 789 C ARG A 49 1.827 34.274 1.263 1.00 0.00 C ATOM 790 O ARG A 49 1.361 33.717 0.270 1.00 0.00 O ATOM 791 CB ARG A 49 1.256 32.867 3.250 1.00 0.00 C ATOM 792 CG ARG A 49 2.723 32.656 3.632 1.00 0.00 C ATOM 793 CD ARG A 49 2.901 31.255 4.222 1.00 0.00 C ATOM 794 NE ARG A 49 2.096 31.110 5.431 1.00 0.00 N ATOM 795 CZ ARG A 49 1.996 29.940 6.055 1.00 0.00 C ATOM 796 NH1 ARG A 49 2.623 28.895 5.587 1.00 0.00 N ATOM 797 NH2 ARG A 49 1.271 29.838 7.135 1.00 0.00 N ATOM 0 H ARG A 49 -0.706 34.208 1.502 1.00 0.00 H new ATOM 0 HA ARG A 49 1.506 35.005 3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.625 32.794 4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.933 32.085 2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.359 32.776 2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.033 33.409 4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.607 30.504 3.489 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.952 31.081 4.453 1.00 0.00 H new ATOM 0 HE ARG A 49 1.601 31.920 5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.190 28.976 4.743 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.546 27.998 6.066 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.782 30.655 7.500 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.194 28.941 7.614 1.00 0.00 H new ATOM 811 N THR A 50 2.983 34.933 1.246 1.00 0.00 N ATOM 812 CA THR A 50 3.775 35.034 0.025 1.00 0.00 C ATOM 813 C THR A 50 4.821 33.926 -0.031 1.00 0.00 C ATOM 814 O THR A 50 5.310 33.466 1.000 1.00 0.00 O ATOM 815 CB THR A 50 4.466 36.398 -0.035 1.00 0.00 C ATOM 816 OG1 THR A 50 5.473 36.460 0.967 1.00 0.00 O ATOM 817 CG2 THR A 50 3.437 37.504 0.205 1.00 0.00 C ATOM 0 H THR A 50 3.389 35.401 2.057 1.00 0.00 H new ATOM 0 HA THR A 50 3.107 34.927 -0.830 1.00 0.00 H new ATOM 0 HB THR A 50 4.920 36.534 -1.017 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.918 37.332 0.930 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.930 38.475 0.162 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.664 37.455 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.982 37.371 1.187 1.00 0.00 H new ATOM 825 N GLY A 51 5.160 33.500 -1.246 1.00 0.00 N ATOM 826 CA GLY A 51 6.150 32.443 -1.426 1.00 0.00 C ATOM 827 C GLY A 51 6.692 32.431 -2.853 1.00 0.00 C ATOM 828 O GLY A 51 7.158 33.450 -3.360 1.00 0.00 O ATOM 0 H GLY A 51 4.767 33.867 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.971 32.587 -0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.700 31.477 -1.197 1.00 0.00 H new ATOM 832 N GLU A 52 6.634 31.264 -3.490 1.00 0.00 N ATOM 833 CA GLU A 52 7.129 31.120 -4.858 1.00 0.00 C ATOM 834 C GLU A 52 6.165 31.776 -5.855 1.00 0.00 C ATOM 835 O GLU A 52 4.983 31.945 -5.555 1.00 0.00 O ATOM 836 CB GLU A 52 7.284 29.634 -5.193 1.00 0.00 C ATOM 837 CG GLU A 52 8.740 29.211 -4.988 1.00 0.00 C ATOM 838 CD GLU A 52 8.875 27.703 -5.163 1.00 0.00 C ATOM 839 OE1 GLU A 52 8.534 27.218 -6.229 1.00 0.00 O ATOM 840 OE2 GLU A 52 9.319 27.055 -4.229 1.00 0.00 O ATOM 0 H GLU A 52 6.252 30.409 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 52 8.096 31.617 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.629 29.037 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.983 29.450 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.381 29.727 -5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.075 29.501 -3.992 1.00 0.00 H new ATOM 847 N PRO A 53 6.636 32.144 -7.027 1.00 0.00 N ATOM 848 CA PRO A 53 5.785 32.787 -8.068 1.00 0.00 C ATOM 849 C PRO A 53 4.389 32.170 -8.144 1.00 0.00 C ATOM 850 O PRO A 53 4.145 31.093 -7.601 1.00 0.00 O ATOM 851 CB PRO A 53 6.554 32.536 -9.362 1.00 0.00 C ATOM 852 CG PRO A 53 7.990 32.429 -8.964 1.00 0.00 C ATOM 853 CD PRO A 53 8.028 31.994 -7.494 1.00 0.00 C ATOM 0 HA PRO A 53 5.615 33.843 -7.858 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.213 31.622 -9.849 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.404 33.350 -10.071 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.509 31.705 -9.592 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.497 33.385 -9.094 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.371 30.964 -7.394 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.710 32.615 -6.914 1.00 0.00 H new ATOM 861 N ASP A 54 3.481 32.860 -8.826 1.00 0.00 N ATOM 862 CA ASP A 54 2.114 32.374 -8.974 1.00 0.00 C ATOM 863 C ASP A 54 2.044 31.289 -10.045 1.00 0.00 C ATOM 864 O ASP A 54 2.314 31.547 -11.218 1.00 0.00 O ATOM 865 CB ASP A 54 1.186 33.529 -9.356 1.00 0.00 C ATOM 866 CG ASP A 54 -0.260 33.046 -9.394 1.00 0.00 C ATOM 867 OD1 ASP A 54 -0.492 31.904 -9.032 1.00 0.00 O ATOM 868 OD2 ASP A 54 -1.115 33.824 -9.785 1.00 0.00 O ATOM 0 H ASP A 54 3.665 33.753 -9.283 1.00 0.00 H new ATOM 0 HA ASP A 54 1.795 31.951 -8.021 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.288 34.341 -8.636 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.470 33.928 -10.330 1.00 0.00 H new ATOM 873 N GLU A 55 1.681 30.077 -9.628 1.00 0.00 N ATOM 874 CA GLU A 55 1.574 28.945 -10.549 1.00 0.00 C ATOM 875 C GLU A 55 0.158 28.377 -10.525 1.00 0.00 C ATOM 876 O GLU A 55 -0.799 29.091 -10.223 1.00 0.00 O ATOM 877 CB GLU A 55 2.577 27.861 -10.150 1.00 0.00 C ATOM 878 CG GLU A 55 2.219 27.319 -8.765 1.00 0.00 C ATOM 879 CD GLU A 55 3.351 26.443 -8.239 1.00 0.00 C ATOM 880 OE1 GLU A 55 4.470 26.929 -8.178 1.00 0.00 O ATOM 881 OE2 GLU A 55 3.084 25.301 -7.906 1.00 0.00 O ATOM 0 H GLU A 55 1.456 29.853 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 55 1.796 29.288 -11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.566 27.054 -10.882 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.587 28.271 -10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.038 28.145 -8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.296 26.741 -8.819 1.00 0.00 H new ATOM 888 N GLU A 56 0.026 27.093 -10.844 1.00 0.00 N ATOM 889 CA GLU A 56 -1.284 26.456 -10.849 1.00 0.00 C ATOM 890 C GLU A 56 -2.070 26.860 -9.610 1.00 0.00 C ATOM 891 O GLU A 56 -1.507 26.994 -8.524 1.00 0.00 O ATOM 892 CB GLU A 56 -1.124 24.935 -10.884 1.00 0.00 C ATOM 893 CG GLU A 56 -0.401 24.531 -12.169 1.00 0.00 C ATOM 894 CD GLU A 56 0.303 23.192 -11.974 1.00 0.00 C ATOM 895 OE1 GLU A 56 -0.334 22.173 -12.185 1.00 0.00 O ATOM 896 OE2 GLU A 56 1.469 23.207 -11.617 1.00 0.00 O ATOM 0 H GLU A 56 0.801 26.480 -11.099 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.828 26.781 -11.736 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.560 24.597 -10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.101 24.454 -10.837 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.114 24.460 -12.990 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.325 25.296 -12.443 1.00 0.00 H new ATOM 903 N GLU A 57 -3.371 27.064 -9.777 1.00 0.00 N ATOM 904 CA GLU A 57 -4.213 27.464 -8.659 1.00 0.00 C ATOM 905 C GLU A 57 -4.339 26.336 -7.643 1.00 0.00 C ATOM 906 O GLU A 57 -4.815 25.247 -7.964 1.00 0.00 O ATOM 907 CB GLU A 57 -5.603 27.855 -9.161 1.00 0.00 C ATOM 908 CG GLU A 57 -5.485 29.020 -10.142 1.00 0.00 C ATOM 909 CD GLU A 57 -6.874 29.451 -10.602 1.00 0.00 C ATOM 910 OE1 GLU A 57 -7.818 28.733 -10.321 1.00 0.00 O ATOM 911 OE2 GLU A 57 -6.971 30.494 -11.227 1.00 0.00 O ATOM 0 H GLU A 57 -3.861 26.960 -10.666 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.746 28.321 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.078 27.003 -9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.238 28.137 -8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.973 29.857 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.883 28.724 -11.001 1.00 0.00 H new ATOM 918 N GLY A 58 -3.922 26.610 -6.412 1.00 0.00 N ATOM 919 CA GLY A 58 -4.004 25.614 -5.350 1.00 0.00 C ATOM 920 C GLY A 58 -5.395 25.622 -4.725 1.00 0.00 C ATOM 921 O GLY A 58 -5.764 24.703 -3.994 1.00 0.00 O ATOM 0 H GLY A 58 -3.527 27.506 -6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.784 24.625 -5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.254 25.823 -4.587 1.00 0.00 H new ATOM 925 N THR A 59 -6.164 26.667 -5.022 1.00 0.00 N ATOM 926 CA THR A 59 -7.515 26.784 -4.490 1.00 0.00 C ATOM 927 C THR A 59 -8.441 25.777 -5.166 1.00 0.00 C ATOM 928 O THR A 59 -9.662 25.850 -5.031 1.00 0.00 O ATOM 929 CB THR A 59 -8.045 28.210 -4.698 1.00 0.00 C ATOM 930 OG1 THR A 59 -9.144 28.434 -3.827 1.00 0.00 O ATOM 931 CG2 THR A 59 -8.501 28.400 -6.148 1.00 0.00 C ATOM 0 H THR A 59 -5.876 27.438 -5.624 1.00 0.00 H new ATOM 0 HA THR A 59 -7.487 26.571 -3.421 1.00 0.00 H new ATOM 0 HB THR A 59 -7.247 28.920 -4.481 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.767 27.680 -3.886 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.875 29.415 -6.282 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.659 28.232 -6.819 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.295 27.688 -6.376 1.00 0.00 H new ATOM 939 N PHE A 60 -7.848 24.830 -5.889 1.00 0.00 N ATOM 940 CA PHE A 60 -8.631 23.810 -6.573 1.00 0.00 C ATOM 941 C PHE A 60 -9.257 22.888 -5.542 1.00 0.00 C ATOM 942 O PHE A 60 -10.402 22.455 -5.679 1.00 0.00 O ATOM 943 CB PHE A 60 -7.746 23.003 -7.527 1.00 0.00 C ATOM 944 CG PHE A 60 -8.617 22.124 -8.388 1.00 0.00 C ATOM 945 CD1 PHE A 60 -9.222 22.647 -9.535 1.00 0.00 C ATOM 946 CD2 PHE A 60 -8.819 20.785 -8.037 1.00 0.00 C ATOM 947 CE1 PHE A 60 -10.032 21.832 -10.332 1.00 0.00 C ATOM 948 CE2 PHE A 60 -9.628 19.968 -8.834 1.00 0.00 C ATOM 949 CZ PHE A 60 -10.234 20.492 -9.983 1.00 0.00 C ATOM 0 H PHE A 60 -6.839 24.749 -6.014 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.414 24.293 -7.158 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.157 23.675 -8.151 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.041 22.394 -6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.064 23.681 -9.805 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.351 20.382 -7.151 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.501 22.237 -11.216 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.785 18.934 -8.564 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.857 19.862 -10.600 1.00 0.00 H new ATOM 959 N ARG A 61 -8.491 22.612 -4.497 1.00 0.00 N ATOM 960 CA ARG A 61 -8.956 21.762 -3.414 1.00 0.00 C ATOM 961 C ARG A 61 -10.215 22.357 -2.794 1.00 0.00 C ATOM 962 O ARG A 61 -11.092 21.638 -2.328 1.00 0.00 O ATOM 963 CB ARG A 61 -7.860 21.640 -2.352 1.00 0.00 C ATOM 964 CG ARG A 61 -8.319 20.700 -1.236 1.00 0.00 C ATOM 965 CD ARG A 61 -7.230 19.657 -0.972 1.00 0.00 C ATOM 966 NE ARG A 61 -7.064 18.792 -2.136 1.00 0.00 N ATOM 967 CZ ARG A 61 -6.343 17.676 -2.069 1.00 0.00 C ATOM 968 NH1 ARG A 61 -5.769 17.340 -0.946 1.00 0.00 N ATOM 969 NH2 ARG A 61 -6.210 16.917 -3.123 1.00 0.00 N ATOM 0 H ARG A 61 -7.542 22.966 -4.377 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.188 20.772 -3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.944 21.261 -2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.630 22.623 -1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.523 21.267 -0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.249 20.207 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.288 20.155 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.494 19.058 -0.100 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.509 19.048 -3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.874 17.933 -0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.216 16.485 -0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.659 17.179 -4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.657 16.062 -3.069 1.00 0.00 H new ATOM 983 N SER A 62 -10.282 23.682 -2.789 1.00 0.00 N ATOM 984 CA SER A 62 -11.422 24.389 -2.216 1.00 0.00 C ATOM 985 C SER A 62 -12.721 24.042 -2.942 1.00 0.00 C ATOM 986 O SER A 62 -13.791 24.039 -2.337 1.00 0.00 O ATOM 987 CB SER A 62 -11.188 25.895 -2.293 1.00 0.00 C ATOM 988 OG SER A 62 -11.651 26.377 -3.547 1.00 0.00 O ATOM 0 H SER A 62 -9.560 24.290 -3.175 1.00 0.00 H new ATOM 0 HA SER A 62 -11.518 24.077 -1.176 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.712 26.398 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.127 26.117 -2.174 1.00 0.00 H new ATOM 0 HG SER A 62 -11.121 25.976 -4.267 1.00 0.00 H new ATOM 994 N SER A 63 -12.632 23.778 -4.240 1.00 0.00 N ATOM 995 CA SER A 63 -13.824 23.462 -5.027 1.00 0.00 C ATOM 996 C SER A 63 -14.483 22.166 -4.552 1.00 0.00 C ATOM 997 O SER A 63 -15.705 22.027 -4.607 1.00 0.00 O ATOM 998 CB SER A 63 -13.449 23.335 -6.504 1.00 0.00 C ATOM 999 OG SER A 63 -13.823 22.047 -6.973 1.00 0.00 O ATOM 0 H SER A 63 -11.759 23.775 -4.768 1.00 0.00 H new ATOM 0 HA SER A 63 -14.539 24.274 -4.894 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.952 24.107 -7.087 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.377 23.485 -6.633 1.00 0.00 H new ATOM 0 HG SER A 63 -13.586 21.962 -7.920 1.00 0.00 H new ATOM 1005 N ILE A 64 -13.675 21.221 -4.087 1.00 0.00 N ATOM 1006 CA ILE A 64 -14.200 19.942 -3.611 1.00 0.00 C ATOM 1007 C ILE A 64 -15.111 20.136 -2.393 1.00 0.00 C ATOM 1008 O ILE A 64 -16.053 19.373 -2.188 1.00 0.00 O ATOM 1009 CB ILE A 64 -13.052 18.949 -3.322 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -12.474 19.111 -1.903 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -11.931 19.180 -4.336 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -13.098 18.065 -0.973 1.00 0.00 C ATOM 0 H ILE A 64 -12.661 21.312 -4.028 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.813 19.510 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 64 -13.461 17.942 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.391 18.993 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -12.678 20.114 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.115 18.484 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -12.313 19.018 -5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.565 20.203 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.689 18.180 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -14.179 18.204 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.871 17.066 -1.345 1.00 0.00 H new ATOM 1024 N ARG A 65 -14.829 21.153 -1.583 1.00 0.00 N ATOM 1025 CA ARG A 65 -15.641 21.408 -0.397 1.00 0.00 C ATOM 1026 C ARG A 65 -17.096 21.583 -0.797 1.00 0.00 C ATOM 1027 O ARG A 65 -18.005 21.268 -0.027 1.00 0.00 O ATOM 1028 CB ARG A 65 -15.183 22.680 0.315 1.00 0.00 C ATOM 1029 CG ARG A 65 -13.896 22.424 1.098 1.00 0.00 C ATOM 1030 CD ARG A 65 -13.501 23.714 1.821 1.00 0.00 C ATOM 1031 NE ARG A 65 -12.456 23.462 2.804 1.00 0.00 N ATOM 1032 CZ ARG A 65 -12.246 24.318 3.799 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -12.992 25.383 3.905 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -11.300 24.095 4.668 1.00 0.00 N ATOM 0 H ARG A 65 -14.057 21.805 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 65 -15.529 20.557 0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.020 23.473 -0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -15.964 23.026 0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.044 21.618 1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.099 22.109 0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.153 24.450 1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -14.374 24.141 2.314 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.881 22.623 2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.733 25.556 3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.834 26.042 4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.718 23.261 4.586 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.142 24.754 5.430 1.00 0.00 H new ATOM 1048 N ARG A 66 -17.314 22.086 -2.004 1.00 0.00 N ATOM 1049 CA ARG A 66 -18.665 22.294 -2.486 1.00 0.00 C ATOM 1050 C ARG A 66 -19.448 20.995 -2.390 1.00 0.00 C ATOM 1051 O ARG A 66 -20.638 21.003 -2.087 1.00 0.00 O ATOM 1052 CB ARG A 66 -18.631 22.758 -3.942 1.00 0.00 C ATOM 1053 CG ARG A 66 -17.944 24.122 -4.032 1.00 0.00 C ATOM 1054 CD ARG A 66 -18.001 24.641 -5.473 1.00 0.00 C ATOM 1055 NE ARG A 66 -16.971 24.001 -6.288 1.00 0.00 N ATOM 1056 CZ ARG A 66 -17.208 22.879 -6.965 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -18.376 22.298 -6.904 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -16.264 22.355 -7.698 1.00 0.00 N ATOM 0 H ARG A 66 -16.579 22.354 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 66 -19.147 23.057 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.098 22.030 -4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.645 22.824 -4.337 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.432 24.830 -3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.907 24.039 -3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.985 24.443 -5.898 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.861 25.722 -5.482 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.045 24.425 -6.340 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.118 22.703 -6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.546 21.439 -7.427 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.350 22.805 -7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.440 21.496 -8.219 1.00 0.00 H new ATOM 1072 N LEU A 67 -18.765 19.880 -2.639 1.00 0.00 N ATOM 1073 CA LEU A 67 -19.407 18.573 -2.573 1.00 0.00 C ATOM 1074 C LEU A 67 -20.038 18.364 -1.197 1.00 0.00 C ATOM 1075 O LEU A 67 -20.952 17.556 -1.041 1.00 0.00 O ATOM 1076 CB LEU A 67 -18.383 17.460 -2.847 1.00 0.00 C ATOM 1077 CG LEU A 67 -17.795 17.613 -4.259 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -16.386 17.009 -4.299 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -18.673 16.873 -5.278 1.00 0.00 C ATOM 0 H LEU A 67 -17.776 19.856 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.187 18.533 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.584 17.501 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.860 16.485 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 67 -17.756 18.674 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.971 17.119 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.748 17.527 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.436 15.951 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -18.248 16.987 -6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -18.716 15.815 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.680 17.291 -5.262 1.00 0.00 H new ATOM 1091 N SER A 68 -19.536 19.092 -0.202 1.00 0.00 N ATOM 1092 CA SER A 68 -20.053 18.966 1.157 1.00 0.00 C ATOM 1093 C SER A 68 -21.439 19.597 1.300 1.00 0.00 C ATOM 1094 O SER A 68 -22.331 19.007 1.911 1.00 0.00 O ATOM 1095 CB SER A 68 -19.094 19.633 2.142 1.00 0.00 C ATOM 1096 OG SER A 68 -17.774 19.156 1.913 1.00 0.00 O ATOM 0 H SER A 68 -18.780 19.768 -0.310 1.00 0.00 H new ATOM 0 HA SER A 68 -20.139 17.902 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.127 20.716 2.022 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.398 19.416 3.166 1.00 0.00 H new ATOM 0 HG SER A 68 -17.361 19.672 1.189 1.00 0.00 H new ATOM 1102 N THR A 69 -21.605 20.806 0.764 1.00 0.00 N ATOM 1103 CA THR A 69 -22.882 21.515 0.876 1.00 0.00 C ATOM 1104 C THR A 69 -23.671 21.514 -0.433 1.00 0.00 C ATOM 1105 O THR A 69 -24.896 21.392 -0.418 1.00 0.00 O ATOM 1106 CB THR A 69 -22.621 22.960 1.301 1.00 0.00 C ATOM 1107 OG1 THR A 69 -22.534 23.783 0.145 1.00 0.00 O ATOM 1108 CG2 THR A 69 -21.308 23.034 2.080 1.00 0.00 C ATOM 0 H THR A 69 -20.881 21.311 0.253 1.00 0.00 H new ATOM 0 HA THR A 69 -23.481 20.991 1.621 1.00 0.00 H new ATOM 0 HB THR A 69 -23.438 23.306 1.935 1.00 0.00 H new ATOM 0 HG1 THR A 69 -22.368 24.710 0.415 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.122 24.064 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 69 -21.374 22.402 2.965 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.490 22.689 1.448 1.00 0.00 H new ATOM 1116 N ARG A 70 -22.983 21.675 -1.557 1.00 0.00 N ATOM 1117 CA ARG A 70 -23.675 21.715 -2.849 1.00 0.00 C ATOM 1118 C ARG A 70 -24.581 20.497 -3.042 1.00 0.00 C ATOM 1119 O ARG A 70 -25.546 20.546 -3.807 1.00 0.00 O ATOM 1120 CB ARG A 70 -22.659 21.814 -4.002 1.00 0.00 C ATOM 1121 CG ARG A 70 -22.009 20.450 -4.287 1.00 0.00 C ATOM 1122 CD ARG A 70 -22.660 19.810 -5.514 1.00 0.00 C ATOM 1123 NE ARG A 70 -22.363 18.382 -5.548 1.00 0.00 N ATOM 1124 CZ ARG A 70 -22.350 17.705 -6.691 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -22.619 18.312 -7.816 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -22.067 16.431 -6.690 1.00 0.00 N ATOM 0 H ARG A 70 -21.969 21.778 -1.607 1.00 0.00 H new ATOM 0 HA ARG A 70 -24.307 22.603 -2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -23.158 22.177 -4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -21.888 22.542 -3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -20.939 20.575 -4.456 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -22.121 19.796 -3.422 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -23.739 19.965 -5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -22.293 20.288 -6.422 1.00 0.00 H new ATOM 0 HE ARG A 70 -22.161 17.893 -4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -22.840 19.308 -7.818 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -22.608 17.790 -8.692 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -21.856 15.956 -5.812 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -22.057 15.910 -7.567 1.00 0.00 H new ATOM 1140 N ARG A 71 -24.252 19.402 -2.360 1.00 0.00 N ATOM 1141 CA ARG A 71 -25.033 18.174 -2.484 1.00 0.00 C ATOM 1142 C ARG A 71 -24.925 17.329 -1.214 1.00 0.00 C ATOM 1143 O ARG A 71 -23.955 17.439 -0.465 1.00 0.00 O ATOM 1144 CB ARG A 71 -24.514 17.373 -3.683 1.00 0.00 C ATOM 1145 CG ARG A 71 -25.323 16.085 -3.858 1.00 0.00 C ATOM 1146 CD ARG A 71 -24.867 15.375 -5.132 1.00 0.00 C ATOM 1147 NE ARG A 71 -25.608 14.132 -5.316 1.00 0.00 N ATOM 1148 CZ ARG A 71 -25.666 13.540 -6.504 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -25.066 14.082 -7.528 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -26.321 12.420 -6.648 1.00 0.00 N ATOM 0 H ARG A 71 -23.458 19.340 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 71 -26.081 18.434 -2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -24.581 17.977 -4.588 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -23.461 17.131 -3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -25.184 15.434 -2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -26.387 16.315 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -25.018 16.026 -5.993 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -23.799 15.164 -5.076 1.00 0.00 H new ATOM 0 HE ARG A 71 -26.089 13.711 -4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -24.555 14.957 -7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -25.108 13.630 -8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -26.790 11.997 -5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -26.364 11.968 -7.561 1.00 0.00 H new ATOM 1164 N ARG A 72 -25.924 16.480 -0.985 1.00 0.00 N ATOM 1165 CA ARG A 72 -25.926 15.611 0.188 1.00 0.00 C ATOM 1166 C ARG A 72 -25.638 16.411 1.454 1.00 0.00 C ATOM 1167 O ARG A 72 -24.472 16.648 1.727 1.00 0.00 O ATOM 1168 CB ARG A 72 -24.874 14.510 0.022 1.00 0.00 C ATOM 1169 CG ARG A 72 -25.046 13.464 1.125 1.00 0.00 C ATOM 1170 CD ARG A 72 -23.984 12.373 0.969 1.00 0.00 C ATOM 1171 NE ARG A 72 -24.177 11.332 1.972 1.00 0.00 N ATOM 1172 CZ ARG A 72 -25.090 10.380 1.809 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -25.837 10.370 0.740 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -25.241 9.457 2.719 1.00 0.00 N ATOM 1175 OXT ARG A 72 -26.586 16.773 2.132 1.00 0.00 O ATOM 0 H ARG A 72 -26.737 16.376 -1.592 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.914 15.159 0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -24.975 14.041 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.873 14.940 0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -24.957 13.935 2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -26.043 13.026 1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -24.041 11.940 -0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -22.989 12.807 1.072 1.00 0.00 H new ATOM 0 HE ARG A 72 -23.601 11.335 2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.720 11.093 0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -26.538 9.640 0.614 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -24.658 9.466 3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -25.942 8.727 2.593 1.00 0.00 H new TER 1189 ARG A 72