USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 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 9 THR OG1 : rot -92:sc= -0.187 USER MOD Set 1.2: A 11 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= -0.158 (180deg=-1.41!) USER MOD Single : A 2 SER OG : rot 6:sc= 0.877! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -37:sc= 0.519 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 89:sc= 1.12 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 39 HIS : no HD1:sc=-0.00431 X(o=-0.0043,f=-0.28) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0481 X(o=-0.048,f=-0.19) USER MOD Single : A 46 LYS NZ :NH3+ 146:sc= -0.116 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -29.922 24.468 4.234 1.00 0.00 N ATOM 2 CA MET A 1 -29.381 23.249 4.900 1.00 0.00 C ATOM 3 C MET A 1 -27.862 23.233 4.765 1.00 0.00 C ATOM 4 O MET A 1 -27.266 24.179 4.251 1.00 0.00 O ATOM 5 CB MET A 1 -29.975 22.003 4.241 1.00 0.00 C ATOM 6 CG MET A 1 -31.498 22.016 4.401 1.00 0.00 C ATOM 7 SD MET A 1 -32.268 21.366 2.897 1.00 0.00 S ATOM 8 CE MET A 1 -33.978 21.778 3.324 1.00 0.00 C ATOM 0 H1 MET A 1 -30.610 24.930 4.862 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.143 25.126 4.029 1.00 0.00 H new ATOM 0 H3 MET A 1 -30.391 24.199 3.345 1.00 0.00 H new ATOM 0 HA MET A 1 -29.649 23.257 5.957 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.710 21.977 3.184 1.00 0.00 H new ATOM 0 HB3 MET A 1 -29.559 21.104 4.696 1.00 0.00 H new ATOM 0 HG2 MET A 1 -31.789 21.413 5.261 1.00 0.00 H new ATOM 0 HG3 MET A 1 -31.846 23.031 4.591 1.00 0.00 H new ATOM 0 HE1 MET A 1 -34.641 21.460 2.519 1.00 0.00 H new ATOM 0 HE2 MET A 1 -34.256 21.268 4.246 1.00 0.00 H new ATOM 0 HE3 MET A 1 -34.069 22.855 3.464 1.00 0.00 H new ATOM 20 N SER A 2 -27.242 22.155 5.232 1.00 0.00 N ATOM 21 CA SER A 2 -25.791 22.027 5.160 1.00 0.00 C ATOM 22 C SER A 2 -25.396 21.106 4.018 1.00 0.00 C ATOM 23 O SER A 2 -25.689 19.909 4.046 1.00 0.00 O ATOM 24 CB SER A 2 -25.248 21.472 6.475 1.00 0.00 C ATOM 25 OG SER A 2 -25.531 20.080 6.551 1.00 0.00 O ATOM 0 H SER A 2 -27.718 21.362 5.662 1.00 0.00 H new ATOM 0 HA SER A 2 -25.366 23.015 4.982 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.173 21.640 6.537 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.702 21.993 7.318 1.00 0.00 H new ATOM 0 HG SER A 2 -25.928 19.780 5.706 1.00 0.00 H new ATOM 31 N GLU A 3 -24.733 21.669 3.010 1.00 0.00 N ATOM 32 CA GLU A 3 -24.310 20.884 1.860 1.00 0.00 C ATOM 33 C GLU A 3 -22.807 20.608 1.914 1.00 0.00 C ATOM 34 O GLU A 3 -22.053 21.361 2.531 1.00 0.00 O ATOM 35 CB GLU A 3 -24.641 21.631 0.566 1.00 0.00 C ATOM 36 CG GLU A 3 -26.000 21.163 0.046 1.00 0.00 C ATOM 37 CD GLU A 3 -27.052 21.319 1.138 1.00 0.00 C ATOM 38 OE1 GLU A 3 -27.145 22.403 1.689 1.00 0.00 O ATOM 39 OE2 GLU A 3 -27.747 20.354 1.408 1.00 0.00 O ATOM 0 H GLU A 3 -24.481 22.656 2.969 1.00 0.00 H new ATOM 0 HA GLU A 3 -24.844 19.934 1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -24.659 22.706 0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -23.869 21.446 -0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -26.284 21.745 -0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -25.940 20.121 -0.268 1.00 0.00 H new ATOM 46 N PRO A 4 -22.358 19.551 1.282 1.00 0.00 N ATOM 47 CA PRO A 4 -20.911 19.180 1.257 1.00 0.00 C ATOM 48 C PRO A 4 -20.068 20.185 0.475 1.00 0.00 C ATOM 49 O PRO A 4 -19.074 20.705 0.984 1.00 0.00 O ATOM 50 CB PRO A 4 -20.898 17.810 0.571 1.00 0.00 C ATOM 51 CG PRO A 4 -22.153 17.755 -0.231 1.00 0.00 C ATOM 52 CD PRO A 4 -23.177 18.595 0.519 1.00 0.00 C ATOM 0 HA PRO A 4 -20.478 19.167 2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -20.020 17.698 -0.065 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.865 17.004 1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.990 18.146 -1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.499 16.727 -0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -23.854 19.106 -0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -23.793 17.982 1.177 1.00 0.00 H new ATOM 60 N VAL A 5 -20.470 20.450 -0.762 1.00 0.00 N ATOM 61 CA VAL A 5 -19.743 21.391 -1.607 1.00 0.00 C ATOM 62 C VAL A 5 -19.649 22.754 -0.929 1.00 0.00 C ATOM 63 O VAL A 5 -18.663 23.472 -1.093 1.00 0.00 O ATOM 64 CB VAL A 5 -20.451 21.538 -2.957 1.00 0.00 C ATOM 65 CG1 VAL A 5 -21.737 22.346 -2.774 1.00 0.00 C ATOM 66 CG2 VAL A 5 -19.531 22.262 -3.944 1.00 0.00 C ATOM 0 H VAL A 5 -21.290 20.030 -1.201 1.00 0.00 H new ATOM 0 HA VAL A 5 -18.736 21.005 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 5 -20.694 20.549 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -22.241 22.451 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -22.394 21.830 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -21.494 23.334 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -20.037 22.366 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -19.285 23.250 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -18.615 21.686 -4.077 1.00 0.00 H new ATOM 76 N SER A 6 -20.679 23.105 -0.168 1.00 0.00 N ATOM 77 CA SER A 6 -20.696 24.384 0.527 1.00 0.00 C ATOM 78 C SER A 6 -19.743 24.354 1.715 1.00 0.00 C ATOM 79 O SER A 6 -18.996 25.305 1.950 1.00 0.00 O ATOM 80 CB SER A 6 -22.114 24.698 1.007 1.00 0.00 C ATOM 81 OG SER A 6 -22.121 25.961 1.661 1.00 0.00 O ATOM 0 H SER A 6 -21.506 22.527 -0.018 1.00 0.00 H new ATOM 0 HA SER A 6 -20.371 25.161 -0.164 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.802 24.710 0.162 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.460 23.921 1.689 1.00 0.00 H new ATOM 0 HG SER A 6 -23.029 26.165 1.968 1.00 0.00 H new ATOM 87 N LEU A 7 -19.781 23.263 2.468 1.00 0.00 N ATOM 88 CA LEU A 7 -18.925 23.131 3.635 1.00 0.00 C ATOM 89 C LEU A 7 -17.463 23.320 3.256 1.00 0.00 C ATOM 90 O LEU A 7 -16.712 23.983 3.968 1.00 0.00 O ATOM 91 CB LEU A 7 -19.118 21.748 4.274 1.00 0.00 C ATOM 92 CG LEU A 7 -19.818 21.879 5.629 1.00 0.00 C ATOM 93 CD1 LEU A 7 -18.952 22.710 6.581 1.00 0.00 C ATOM 94 CD2 LEU A 7 -21.179 22.561 5.439 1.00 0.00 C ATOM 0 H LEU A 7 -20.390 22.464 2.293 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.202 23.904 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.708 21.114 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.151 21.262 4.403 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.967 20.887 6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -19.454 22.801 7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -17.989 22.219 6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.796 23.703 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -21.677 22.654 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -21.033 23.552 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -21.796 21.962 4.769 1.00 0.00 H new ATOM 106 N LEU A 8 -17.072 22.728 2.134 1.00 0.00 N ATOM 107 CA LEU A 8 -15.696 22.832 1.664 1.00 0.00 C ATOM 108 C LEU A 8 -15.626 23.694 0.412 1.00 0.00 C ATOM 109 O LEU A 8 -15.999 23.258 -0.679 1.00 0.00 O ATOM 110 CB LEU A 8 -15.138 21.444 1.360 1.00 0.00 C ATOM 111 CG LEU A 8 -15.439 20.506 2.532 1.00 0.00 C ATOM 112 CD1 LEU A 8 -14.867 19.117 2.239 1.00 0.00 C ATOM 113 CD2 LEU A 8 -14.800 21.060 3.809 1.00 0.00 C ATOM 0 H LEU A 8 -17.684 22.174 1.535 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.099 23.297 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -15.583 21.054 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -14.062 21.501 1.193 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.518 20.433 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.082 18.451 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.322 18.720 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.788 19.189 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.015 20.392 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.721 21.135 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.209 22.048 4.021 1.00 0.00 H new ATOM 125 N THR A 9 -15.150 24.920 0.578 1.00 0.00 N ATOM 126 CA THR A 9 -15.041 25.838 -0.549 1.00 0.00 C ATOM 127 C THR A 9 -13.641 25.773 -1.156 1.00 0.00 C ATOM 128 O THR A 9 -12.715 25.251 -0.534 1.00 0.00 O ATOM 129 CB THR A 9 -15.338 27.271 -0.097 1.00 0.00 C ATOM 130 OG1 THR A 9 -14.234 28.108 -0.423 1.00 0.00 O ATOM 131 CG2 THR A 9 -15.571 27.302 1.412 1.00 0.00 C ATOM 0 H THR A 9 -14.836 25.300 1.471 1.00 0.00 H new ATOM 0 HA THR A 9 -15.770 25.542 -1.304 1.00 0.00 H new ATOM 0 HB THR A 9 -16.233 27.629 -0.605 1.00 0.00 H new ATOM 0 HG1 THR A 9 -13.617 28.146 0.337 1.00 0.00 H new ATOM 0 HG21 THR A 9 -15.782 28.324 1.727 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.418 26.663 1.663 1.00 0.00 H new ATOM 0 HG23 THR A 9 -14.680 26.941 1.925 1.00 0.00 H new ATOM 139 N PRO A 10 -13.478 26.290 -2.350 1.00 0.00 N ATOM 140 CA PRO A 10 -12.164 26.296 -3.051 1.00 0.00 C ATOM 141 C PRO A 10 -11.012 26.677 -2.123 1.00 0.00 C ATOM 142 O PRO A 10 -9.898 26.169 -2.256 1.00 0.00 O ATOM 143 CB PRO A 10 -12.346 27.348 -4.149 1.00 0.00 C ATOM 144 CG PRO A 10 -13.813 27.403 -4.425 1.00 0.00 C ATOM 145 CD PRO A 10 -14.532 26.920 -3.167 1.00 0.00 C ATOM 0 HA PRO A 10 -11.903 25.309 -3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.973 28.319 -3.825 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.790 27.076 -5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.119 28.419 -4.676 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.067 26.774 -5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -15.001 27.749 -2.637 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.322 26.209 -3.411 1.00 0.00 H new ATOM 153 N SER A 11 -11.289 27.576 -1.183 1.00 0.00 N ATOM 154 CA SER A 11 -10.267 28.018 -0.239 1.00 0.00 C ATOM 155 C SER A 11 -9.999 26.940 0.804 1.00 0.00 C ATOM 156 O SER A 11 -8.873 26.784 1.278 1.00 0.00 O ATOM 157 CB SER A 11 -10.722 29.301 0.457 1.00 0.00 C ATOM 158 OG SER A 11 -11.398 28.967 1.662 1.00 0.00 O ATOM 0 H SER A 11 -12.203 28.009 -1.055 1.00 0.00 H new ATOM 0 HA SER A 11 -9.347 28.210 -0.791 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.863 29.936 0.673 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.382 29.870 -0.198 1.00 0.00 H new ATOM 0 HG SER A 11 -11.690 29.787 2.112 1.00 0.00 H new ATOM 164 N ASP A 12 -11.041 26.197 1.159 1.00 0.00 N ATOM 165 CA ASP A 12 -10.906 25.132 2.149 1.00 0.00 C ATOM 166 C ASP A 12 -10.097 23.972 1.584 1.00 0.00 C ATOM 167 O ASP A 12 -9.340 23.321 2.306 1.00 0.00 O ATOM 168 CB ASP A 12 -12.288 24.627 2.567 1.00 0.00 C ATOM 169 CG ASP A 12 -12.400 24.605 4.087 1.00 0.00 C ATOM 170 OD1 ASP A 12 -12.152 25.633 4.695 1.00 0.00 O ATOM 171 OD2 ASP A 12 -12.729 23.559 4.621 1.00 0.00 O ATOM 0 H ASP A 12 -11.981 26.310 0.781 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.386 25.538 3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.061 25.270 2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.454 23.626 2.168 1.00 0.00 H new ATOM 176 N LEU A 13 -10.263 23.717 0.291 1.00 0.00 N ATOM 177 CA LEU A 13 -9.543 22.629 -0.362 1.00 0.00 C ATOM 178 C LEU A 13 -8.039 22.844 -0.260 1.00 0.00 C ATOM 179 O LEU A 13 -7.455 23.596 -1.041 1.00 0.00 O ATOM 180 CB LEU A 13 -9.946 22.537 -1.833 1.00 0.00 C ATOM 181 CG LEU A 13 -10.697 21.226 -2.076 1.00 0.00 C ATOM 182 CD1 LEU A 13 -11.985 21.203 -1.247 1.00 0.00 C ATOM 183 CD2 LEU A 13 -11.045 21.106 -3.561 1.00 0.00 C ATOM 0 H LEU A 13 -10.885 24.244 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.802 21.698 0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.576 23.385 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.061 22.584 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.064 20.390 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.515 20.267 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.738 21.285 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.620 22.040 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.580 20.172 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.675 21.945 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.129 21.115 -4.151 1.00 0.00 H new ATOM 195 N ASP A 14 -7.416 22.175 0.706 1.00 0.00 N ATOM 196 CA ASP A 14 -5.978 22.302 0.897 1.00 0.00 C ATOM 197 C ASP A 14 -5.247 21.101 0.296 1.00 0.00 C ATOM 198 O ASP A 14 -5.839 20.043 0.088 1.00 0.00 O ATOM 199 CB ASP A 14 -5.653 22.404 2.387 1.00 0.00 C ATOM 200 CG ASP A 14 -6.910 22.155 3.215 1.00 0.00 C ATOM 201 OD1 ASP A 14 -7.550 21.142 2.994 1.00 0.00 O ATOM 202 OD2 ASP A 14 -7.214 22.985 4.057 1.00 0.00 O ATOM 0 H ASP A 14 -7.880 21.546 1.362 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.644 23.208 0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.885 21.677 2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.249 23.391 2.612 1.00 0.00 H new ATOM 207 N PRO A 15 -3.974 21.245 0.022 1.00 0.00 N ATOM 208 CA PRO A 15 -3.142 20.152 -0.565 1.00 0.00 C ATOM 209 C PRO A 15 -3.046 18.943 0.363 1.00 0.00 C ATOM 210 O PRO A 15 -2.682 17.848 -0.066 1.00 0.00 O ATOM 211 CB PRO A 15 -1.765 20.802 -0.761 1.00 0.00 C ATOM 212 CG PRO A 15 -1.749 21.976 0.159 1.00 0.00 C ATOM 213 CD PRO A 15 -3.184 22.466 0.238 1.00 0.00 C ATOM 0 HA PRO A 15 -3.569 19.767 -1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.963 20.104 -0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.620 21.111 -1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.378 21.694 1.145 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.090 22.758 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.401 22.919 1.205 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.394 23.220 -0.521 1.00 0.00 H new ATOM 221 N LEU A 16 -3.368 19.154 1.635 1.00 0.00 N ATOM 222 CA LEU A 16 -3.311 18.076 2.615 1.00 0.00 C ATOM 223 C LEU A 16 -4.166 16.899 2.164 1.00 0.00 C ATOM 224 O LEU A 16 -3.832 15.742 2.411 1.00 0.00 O ATOM 225 CB LEU A 16 -3.808 18.578 3.974 1.00 0.00 C ATOM 226 CG LEU A 16 -2.624 18.749 4.923 1.00 0.00 C ATOM 227 CD1 LEU A 16 -1.632 19.753 4.332 1.00 0.00 C ATOM 228 CD2 LEU A 16 -3.124 19.267 6.274 1.00 0.00 C ATOM 0 H LEU A 16 -3.669 20.054 2.009 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.276 17.747 2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.330 19.527 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.524 17.872 4.394 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.130 17.787 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.788 19.873 5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.274 19.387 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.126 20.715 4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.279 19.389 6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.619 20.228 6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.830 18.553 6.699 1.00 0.00 H new ATOM 240 N ILE A 17 -5.276 17.206 1.498 1.00 0.00 N ATOM 241 CA ILE A 17 -6.172 16.164 1.013 1.00 0.00 C ATOM 242 C ILE A 17 -5.529 15.394 -0.134 1.00 0.00 C ATOM 243 O ILE A 17 -5.691 14.178 -0.247 1.00 0.00 O ATOM 244 CB ILE A 17 -7.490 16.788 0.542 1.00 0.00 C ATOM 245 CG1 ILE A 17 -8.575 15.708 0.484 1.00 0.00 C ATOM 246 CG2 ILE A 17 -7.308 17.402 -0.851 1.00 0.00 C ATOM 247 CD1 ILE A 17 -9.239 15.567 1.857 1.00 0.00 C ATOM 0 H ILE A 17 -5.573 18.158 1.284 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.371 15.471 1.830 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.787 17.568 1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.321 15.969 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.138 14.756 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.249 17.844 -1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.539 18.174 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.006 16.626 -1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.010 14.798 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.489 15.286 2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.691 16.517 2.142 1.00 0.00 H new ATOM 259 N LEU A 18 -4.805 16.110 -0.985 1.00 0.00 N ATOM 260 CA LEU A 18 -4.152 15.481 -2.124 1.00 0.00 C ATOM 261 C LEU A 18 -3.173 14.411 -1.654 1.00 0.00 C ATOM 262 O LEU A 18 -3.123 13.312 -2.206 1.00 0.00 O ATOM 263 CB LEU A 18 -3.407 16.537 -2.949 1.00 0.00 C ATOM 264 CG LEU A 18 -3.546 16.222 -4.441 1.00 0.00 C ATOM 265 CD1 LEU A 18 -2.801 17.281 -5.256 1.00 0.00 C ATOM 266 CD2 LEU A 18 -2.944 14.844 -4.734 1.00 0.00 C ATOM 0 H LEU A 18 -4.656 17.116 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.915 15.011 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.810 17.528 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.354 16.555 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.601 16.224 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.899 17.058 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.226 18.264 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.746 17.277 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.044 14.622 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.889 14.842 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.470 14.086 -4.154 1.00 0.00 H new ATOM 278 N THR A 19 -2.396 14.741 -0.631 1.00 0.00 N ATOM 279 CA THR A 19 -1.419 13.798 -0.095 1.00 0.00 C ATOM 280 C THR A 19 -2.120 12.582 0.496 1.00 0.00 C ATOM 281 O THR A 19 -1.743 11.443 0.224 1.00 0.00 O ATOM 282 CB THR A 19 -0.576 14.479 0.986 1.00 0.00 C ATOM 283 OG1 THR A 19 -1.431 14.958 2.015 1.00 0.00 O ATOM 284 CG2 THR A 19 0.199 15.651 0.378 1.00 0.00 C ATOM 0 H THR A 19 -2.421 15.645 -0.158 1.00 0.00 H new ATOM 0 HA THR A 19 -0.771 13.471 -0.908 1.00 0.00 H new ATOM 0 HB THR A 19 0.130 13.760 1.401 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.261 15.298 1.619 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.797 16.132 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.855 15.283 -0.411 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.502 16.373 -0.040 1.00 0.00 H new ATOM 292 N LEU A 20 -3.141 12.830 1.307 1.00 0.00 N ATOM 293 CA LEU A 20 -3.890 11.746 1.932 1.00 0.00 C ATOM 294 C LEU A 20 -4.387 10.762 0.876 1.00 0.00 C ATOM 295 O LEU A 20 -4.328 9.548 1.067 1.00 0.00 O ATOM 296 CB LEU A 20 -5.080 12.314 2.704 1.00 0.00 C ATOM 297 CG LEU A 20 -5.893 11.167 3.310 1.00 0.00 C ATOM 298 CD1 LEU A 20 -6.235 11.493 4.764 1.00 0.00 C ATOM 299 CD2 LEU A 20 -7.189 10.971 2.513 1.00 0.00 C ATOM 0 H LEU A 20 -3.468 13.766 1.547 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.229 11.219 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.730 12.981 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.708 12.907 2.039 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.303 10.251 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.814 10.675 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.315 11.625 5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.820 12.412 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.764 10.154 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.779 11.887 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.947 10.733 1.477 1.00 0.00 H new ATOM 311 N SER A 21 -4.877 11.296 -0.238 1.00 0.00 N ATOM 312 CA SER A 21 -5.381 10.454 -1.319 1.00 0.00 C ATOM 313 C SER A 21 -4.249 9.642 -1.938 1.00 0.00 C ATOM 314 O SER A 21 -4.424 8.467 -2.264 1.00 0.00 O ATOM 315 CB SER A 21 -6.037 11.323 -2.391 1.00 0.00 C ATOM 316 OG SER A 21 -7.418 11.476 -2.090 1.00 0.00 O ATOM 0 H SER A 21 -4.936 12.299 -0.416 1.00 0.00 H new ATOM 0 HA SER A 21 -6.120 9.766 -0.907 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.552 12.298 -2.433 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.915 10.864 -3.372 1.00 0.00 H new ATOM 0 HG SER A 21 -7.842 12.034 -2.775 1.00 0.00 H new ATOM 322 N LEU A 22 -3.093 10.274 -2.099 1.00 0.00 N ATOM 323 CA LEU A 22 -1.940 9.598 -2.682 1.00 0.00 C ATOM 324 C LEU A 22 -1.600 8.340 -1.890 1.00 0.00 C ATOM 325 O LEU A 22 -1.435 7.259 -2.456 1.00 0.00 O ATOM 326 CB LEU A 22 -0.733 10.539 -2.692 1.00 0.00 C ATOM 327 CG LEU A 22 -0.077 10.517 -4.074 1.00 0.00 C ATOM 328 CD1 LEU A 22 1.144 11.437 -4.076 1.00 0.00 C ATOM 329 CD2 LEU A 22 0.363 9.087 -4.409 1.00 0.00 C ATOM 0 H LEU A 22 -2.929 11.246 -1.837 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.188 9.314 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.047 11.553 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.014 10.233 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.793 10.862 -4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.610 11.420 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.833 12.454 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.860 11.093 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.830 9.071 -5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.078 8.742 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.506 8.430 -4.410 1.00 0.00 H new ATOM 341 N ILE A 23 -1.498 8.487 -0.575 1.00 0.00 N ATOM 342 CA ILE A 23 -1.179 7.353 0.283 1.00 0.00 C ATOM 343 C ILE A 23 -2.259 6.283 0.170 1.00 0.00 C ATOM 344 O ILE A 23 -1.962 5.088 0.131 1.00 0.00 O ATOM 345 CB ILE A 23 -1.064 7.816 1.742 1.00 0.00 C ATOM 346 CG1 ILE A 23 0.383 8.230 2.031 1.00 0.00 C ATOM 347 CG2 ILE A 23 -1.459 6.680 2.698 1.00 0.00 C ATOM 348 CD1 ILE A 23 0.804 9.338 1.065 1.00 0.00 C ATOM 0 H ILE A 23 -1.630 9.371 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.227 6.931 -0.038 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.735 8.661 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.473 8.578 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.045 7.371 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.372 7.025 3.728 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.488 6.380 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.797 5.828 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.833 9.630 1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.730 8.975 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.149 10.200 1.192 1.00 0.00 H new ATOM 360 N LEU A 24 -3.512 6.717 0.121 1.00 0.00 N ATOM 361 CA LEU A 24 -4.625 5.782 0.022 1.00 0.00 C ATOM 362 C LEU A 24 -4.524 4.953 -1.253 1.00 0.00 C ATOM 363 O LEU A 24 -4.685 3.732 -1.228 1.00 0.00 O ATOM 364 CB LEU A 24 -5.951 6.549 0.024 1.00 0.00 C ATOM 365 CG LEU A 24 -6.659 6.345 1.364 1.00 0.00 C ATOM 366 CD1 LEU A 24 -5.766 6.852 2.498 1.00 0.00 C ATOM 367 CD2 LEU A 24 -7.975 7.127 1.368 1.00 0.00 C ATOM 0 H LEU A 24 -3.781 7.700 0.148 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.585 5.112 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.769 7.610 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.586 6.201 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.862 5.284 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.272 6.706 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.827 6.299 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.562 7.913 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.481 6.983 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.769 8.187 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.614 6.768 0.561 1.00 0.00 H new ATOM 379 N VAL A 25 -4.245 5.621 -2.365 1.00 0.00 N ATOM 380 CA VAL A 25 -4.121 4.934 -3.644 1.00 0.00 C ATOM 381 C VAL A 25 -3.064 3.838 -3.557 1.00 0.00 C ATOM 382 O VAL A 25 -3.238 2.750 -4.107 1.00 0.00 O ATOM 383 CB VAL A 25 -3.739 5.936 -4.740 1.00 0.00 C ATOM 384 CG1 VAL A 25 -3.243 5.184 -5.979 1.00 0.00 C ATOM 385 CG2 VAL A 25 -4.965 6.772 -5.112 1.00 0.00 C ATOM 0 H VAL A 25 -4.101 6.630 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.080 4.479 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.947 6.588 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.973 5.900 -6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.370 4.586 -5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.033 4.530 -6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.696 7.485 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.755 6.116 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.318 7.311 -4.233 1.00 0.00 H new ATOM 395 N VAL A 26 -1.968 4.135 -2.866 1.00 0.00 N ATOM 396 CA VAL A 26 -0.885 3.171 -2.716 1.00 0.00 C ATOM 397 C VAL A 26 -1.345 1.980 -1.881 1.00 0.00 C ATOM 398 O VAL A 26 -1.105 0.827 -2.243 1.00 0.00 O ATOM 399 CB VAL A 26 0.319 3.834 -2.044 1.00 0.00 C ATOM 400 CG1 VAL A 26 1.443 2.808 -1.882 1.00 0.00 C ATOM 401 CG2 VAL A 26 0.813 4.995 -2.913 1.00 0.00 C ATOM 0 H VAL A 26 -1.807 5.030 -2.404 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.596 2.819 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 26 0.025 4.210 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.301 3.280 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.094 1.980 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.736 2.432 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.671 5.468 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.106 4.617 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.014 5.727 -3.031 1.00 0.00 H new ATOM 411 N ILE A 27 -2.007 2.267 -0.766 1.00 0.00 N ATOM 412 CA ILE A 27 -2.499 1.213 0.114 1.00 0.00 C ATOM 413 C ILE A 27 -3.469 0.307 -0.637 1.00 0.00 C ATOM 414 O ILE A 27 -3.490 -0.905 -0.430 1.00 0.00 O ATOM 415 CB ILE A 27 -3.200 1.825 1.328 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.150 2.372 2.300 1.00 0.00 C ATOM 417 CG2 ILE A 27 -4.040 0.749 2.025 1.00 0.00 C ATOM 418 CD1 ILE A 27 -2.837 3.198 3.390 1.00 0.00 C ATOM 0 H ILE A 27 -2.215 3.215 -0.451 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.650 0.620 0.453 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.850 2.638 1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.593 1.550 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.429 2.989 1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.541 1.182 2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.786 0.363 1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.392 -0.065 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.087 3.586 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.374 4.029 2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.540 2.568 3.935 1.00 0.00 H new ATOM 430 N LEU A 28 -4.272 0.905 -1.511 1.00 0.00 N ATOM 431 CA LEU A 28 -5.241 0.141 -2.288 1.00 0.00 C ATOM 432 C LEU A 28 -4.538 -0.908 -3.145 1.00 0.00 C ATOM 433 O LEU A 28 -4.873 -2.091 -3.096 1.00 0.00 O ATOM 434 CB LEU A 28 -6.045 1.081 -3.189 1.00 0.00 C ATOM 435 CG LEU A 28 -7.417 0.469 -3.475 1.00 0.00 C ATOM 436 CD1 LEU A 28 -8.414 0.926 -2.408 1.00 0.00 C ATOM 437 CD2 LEU A 28 -7.902 0.926 -4.853 1.00 0.00 C ATOM 0 H LEU A 28 -4.272 1.908 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.914 -0.365 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.162 2.051 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.510 1.252 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.339 -0.618 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.392 0.489 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.070 0.602 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.492 2.013 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.880 0.490 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.979 2.013 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.193 0.601 -5.615 1.00 0.00 H new ATOM 449 N VAL A 29 -3.561 -0.466 -3.927 1.00 0.00 N ATOM 450 CA VAL A 29 -2.819 -1.380 -4.789 1.00 0.00 C ATOM 451 C VAL A 29 -2.157 -2.473 -3.960 1.00 0.00 C ATOM 452 O VAL A 29 -2.200 -3.650 -4.315 1.00 0.00 O ATOM 453 CB VAL A 29 -1.753 -0.606 -5.571 1.00 0.00 C ATOM 454 CG1 VAL A 29 -0.968 -1.573 -6.459 1.00 0.00 C ATOM 455 CG2 VAL A 29 -2.430 0.454 -6.446 1.00 0.00 C ATOM 0 H VAL A 29 -3.266 0.509 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.515 -1.843 -5.488 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.072 -0.120 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.210 -1.022 -7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.486 -2.328 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.649 -2.059 -7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.672 1.005 -7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.111 -0.032 -7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.989 1.144 -5.814 1.00 0.00 H new ATOM 465 N LEU A 30 -1.540 -2.076 -2.856 1.00 0.00 N ATOM 466 CA LEU A 30 -0.866 -3.032 -1.987 1.00 0.00 C ATOM 467 C LEU A 30 -1.856 -4.057 -1.451 1.00 0.00 C ATOM 468 O LEU A 30 -1.549 -5.244 -1.363 1.00 0.00 O ATOM 469 CB LEU A 30 -0.193 -2.299 -0.822 1.00 0.00 C ATOM 470 CG LEU A 30 1.314 -2.182 -1.072 1.00 0.00 C ATOM 471 CD1 LEU A 30 1.964 -3.569 -1.009 1.00 0.00 C ATOM 472 CD2 LEU A 30 1.555 -1.562 -2.454 1.00 0.00 C ATOM 0 H LEU A 30 -1.492 -1.107 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.106 -3.553 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.628 -1.306 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.374 -2.836 0.109 1.00 0.00 H new ATOM 0 HG LEU A 30 1.757 -1.547 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.035 -3.477 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.796 -4.005 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.523 -4.212 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.627 -1.478 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.107 -2.195 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.102 -0.571 -2.492 1.00 0.00 H new ATOM 484 N LEU A 31 -3.042 -3.590 -1.090 1.00 0.00 N ATOM 485 CA LEU A 31 -4.068 -4.474 -0.562 1.00 0.00 C ATOM 486 C LEU A 31 -4.402 -5.565 -1.573 1.00 0.00 C ATOM 487 O LEU A 31 -4.554 -6.733 -1.218 1.00 0.00 O ATOM 488 CB LEU A 31 -5.330 -3.671 -0.237 1.00 0.00 C ATOM 489 CG LEU A 31 -5.522 -3.611 1.278 1.00 0.00 C ATOM 490 CD1 LEU A 31 -6.669 -2.656 1.610 1.00 0.00 C ATOM 491 CD2 LEU A 31 -5.854 -5.009 1.809 1.00 0.00 C ATOM 0 H LEU A 31 -3.316 -2.609 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.690 -4.940 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.247 -2.663 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.199 -4.133 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.604 -3.254 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.806 -2.613 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.434 -1.660 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.586 -3.013 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.991 -4.965 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.771 -5.367 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.037 -5.691 1.574 1.00 0.00 H new ATOM 503 N THR A 32 -4.516 -5.178 -2.835 1.00 0.00 N ATOM 504 CA THR A 32 -4.835 -6.136 -3.887 1.00 0.00 C ATOM 505 C THR A 32 -3.735 -7.186 -4.008 1.00 0.00 C ATOM 506 O THR A 32 -4.015 -8.380 -4.113 1.00 0.00 O ATOM 507 CB THR A 32 -4.995 -5.413 -5.224 1.00 0.00 C ATOM 508 OG1 THR A 32 -4.521 -4.078 -5.098 1.00 0.00 O ATOM 509 CG2 THR A 32 -6.469 -5.396 -5.637 1.00 0.00 C ATOM 0 H THR A 32 -4.394 -4.217 -3.155 1.00 0.00 H new ATOM 0 HA THR A 32 -5.771 -6.631 -3.626 1.00 0.00 H new ATOM 0 HB THR A 32 -4.418 -5.937 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.563 -4.051 -5.301 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.574 -4.879 -6.591 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.831 -6.419 -5.738 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.054 -4.878 -4.877 1.00 0.00 H new ATOM 517 N VAL A 33 -2.486 -6.735 -3.991 1.00 0.00 N ATOM 518 CA VAL A 33 -1.355 -7.648 -4.100 1.00 0.00 C ATOM 519 C VAL A 33 -1.415 -8.696 -2.995 1.00 0.00 C ATOM 520 O VAL A 33 -1.224 -9.886 -3.239 1.00 0.00 O ATOM 521 CB VAL A 33 -0.043 -6.867 -4.002 1.00 0.00 C ATOM 522 CG1 VAL A 33 1.108 -7.831 -3.711 1.00 0.00 C ATOM 523 CG2 VAL A 33 0.219 -6.149 -5.328 1.00 0.00 C ATOM 0 H VAL A 33 -2.232 -5.751 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.402 -8.150 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.115 -6.136 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.042 -7.273 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.922 -8.346 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.182 -8.563 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.153 -5.591 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.291 -6.883 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.600 -5.461 -5.537 1.00 0.00 H new ATOM 533 N LEU A 34 -1.680 -8.246 -1.776 1.00 0.00 N ATOM 534 CA LEU A 34 -1.756 -9.156 -0.642 1.00 0.00 C ATOM 535 C LEU A 34 -2.926 -10.114 -0.806 1.00 0.00 C ATOM 536 O LEU A 34 -2.841 -11.280 -0.419 1.00 0.00 O ATOM 537 CB LEU A 34 -1.913 -8.358 0.661 1.00 0.00 C ATOM 538 CG LEU A 34 -0.631 -8.445 1.495 1.00 0.00 C ATOM 539 CD1 LEU A 34 -0.395 -9.896 1.928 1.00 0.00 C ATOM 540 CD2 LEU A 34 0.559 -7.954 0.662 1.00 0.00 C ATOM 0 H LEU A 34 -1.845 -7.265 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.834 -9.735 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.136 -7.316 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.755 -8.746 1.234 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.734 -7.818 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.518 -9.955 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.239 -10.239 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.295 -10.528 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.470 -8.017 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.663 -8.576 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.391 -6.919 0.363 1.00 0.00 H new ATOM 552 N ALA A 35 -4.014 -9.619 -1.378 1.00 0.00 N ATOM 553 CA ALA A 35 -5.192 -10.448 -1.585 1.00 0.00 C ATOM 554 C ALA A 35 -4.901 -11.527 -2.622 1.00 0.00 C ATOM 555 O ALA A 35 -5.289 -12.684 -2.456 1.00 0.00 O ATOM 556 CB ALA A 35 -6.362 -9.580 -2.050 1.00 0.00 C ATOM 0 H ALA A 35 -4.106 -8.657 -1.704 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.455 -10.929 -0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.241 -10.206 -2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.580 -8.827 -1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.100 -9.087 -2.986 1.00 0.00 H new ATOM 562 N LEU A 36 -4.216 -11.143 -3.692 1.00 0.00 N ATOM 563 CA LEU A 36 -3.881 -12.087 -4.750 1.00 0.00 C ATOM 564 C LEU A 36 -2.997 -13.201 -4.206 1.00 0.00 C ATOM 565 O LEU A 36 -3.130 -14.359 -4.598 1.00 0.00 O ATOM 566 CB LEU A 36 -3.162 -11.363 -5.892 1.00 0.00 C ATOM 567 CG LEU A 36 -4.194 -10.784 -6.862 1.00 0.00 C ATOM 568 CD1 LEU A 36 -3.590 -9.582 -7.590 1.00 0.00 C ATOM 569 CD2 LEU A 36 -4.589 -11.851 -7.888 1.00 0.00 C ATOM 0 H LEU A 36 -3.884 -10.192 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.804 -12.525 -5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.535 -10.565 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.503 -12.054 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.077 -10.470 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.324 -9.169 -8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.307 -8.821 -6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.707 -9.899 -8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.324 -11.437 -8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.706 -12.166 -8.444 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.018 -12.710 -7.373 1.00 0.00 H new ATOM 581 N LEU A 37 -2.095 -12.841 -3.299 1.00 0.00 N ATOM 582 CA LEU A 37 -1.189 -13.815 -2.704 1.00 0.00 C ATOM 583 C LEU A 37 -1.968 -14.826 -1.868 1.00 0.00 C ATOM 584 O LEU A 37 -1.749 -16.032 -1.975 1.00 0.00 O ATOM 585 CB LEU A 37 -0.161 -13.102 -1.820 1.00 0.00 C ATOM 586 CG LEU A 37 1.121 -12.854 -2.618 1.00 0.00 C ATOM 587 CD1 LEU A 37 1.901 -11.701 -1.983 1.00 0.00 C ATOM 588 CD2 LEU A 37 1.981 -14.119 -2.604 1.00 0.00 C ATOM 0 H LEU A 37 -1.972 -11.886 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.673 -14.342 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.568 -12.156 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.058 -13.707 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 37 0.866 -12.598 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.814 -11.523 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.288 -10.800 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.157 -11.957 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.895 -13.944 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.236 -14.374 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.426 -14.942 -3.055 1.00 0.00 H new ATOM 600 N SER A 38 -2.877 -14.323 -1.039 1.00 0.00 N ATOM 601 CA SER A 38 -3.685 -15.190 -0.189 1.00 0.00 C ATOM 602 C SER A 38 -4.553 -16.112 -1.040 1.00 0.00 C ATOM 603 O SER A 38 -4.739 -17.283 -0.713 1.00 0.00 O ATOM 604 CB SER A 38 -4.574 -14.346 0.724 1.00 0.00 C ATOM 605 OG SER A 38 -5.912 -14.392 0.247 1.00 0.00 O ATOM 0 H SER A 38 -3.072 -13.327 -0.938 1.00 0.00 H new ATOM 0 HA SER A 38 -3.016 -15.798 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.527 -14.722 1.746 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.219 -13.316 0.746 1.00 0.00 H new ATOM 0 HG SER A 38 -6.486 -13.853 0.831 1.00 0.00 H new ATOM 611 N HIS A 39 -5.080 -15.574 -2.135 1.00 0.00 N ATOM 612 CA HIS A 39 -5.925 -16.360 -3.026 1.00 0.00 C ATOM 613 C HIS A 39 -5.134 -17.507 -3.646 1.00 0.00 C ATOM 614 O HIS A 39 -5.588 -18.651 -3.659 1.00 0.00 O ATOM 615 CB HIS A 39 -6.487 -15.467 -4.134 1.00 0.00 C ATOM 616 CG HIS A 39 -7.508 -16.235 -4.929 1.00 0.00 C ATOM 617 ND1 HIS A 39 -8.798 -16.443 -4.469 1.00 0.00 N ATOM 618 CD2 HIS A 39 -7.442 -16.851 -6.154 1.00 0.00 C ATOM 619 CE1 HIS A 39 -9.452 -17.157 -5.405 1.00 0.00 C ATOM 620 NE2 HIS A 39 -8.670 -17.432 -6.452 1.00 0.00 N ATOM 0 H HIS A 39 -4.939 -14.606 -2.425 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.746 -16.776 -2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.942 -14.576 -3.702 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.682 -15.129 -4.786 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.569 -16.880 -6.790 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.482 -17.469 -5.319 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.920 -17.956 -7.291 1.00 0.00 H new ATOM 628 N ARG A 40 -3.951 -17.194 -4.161 1.00 0.00 N ATOM 629 CA ARG A 40 -3.107 -18.206 -4.781 1.00 0.00 C ATOM 630 C ARG A 40 -2.859 -19.360 -3.817 1.00 0.00 C ATOM 631 O ARG A 40 -2.965 -20.530 -4.192 1.00 0.00 O ATOM 632 CB ARG A 40 -1.770 -17.589 -5.195 1.00 0.00 C ATOM 633 CG ARG A 40 -1.958 -16.737 -6.455 1.00 0.00 C ATOM 634 CD ARG A 40 -1.408 -17.492 -7.665 1.00 0.00 C ATOM 635 NE ARG A 40 -1.981 -18.832 -7.731 1.00 0.00 N ATOM 636 CZ ARG A 40 -1.760 -19.624 -8.776 1.00 0.00 C ATOM 637 NH1 ARG A 40 -1.019 -19.205 -9.766 1.00 0.00 N ATOM 638 NH2 ARG A 40 -2.285 -20.817 -8.813 1.00 0.00 N ATOM 0 H ARG A 40 -3.557 -16.253 -4.162 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.620 -18.588 -5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.377 -16.975 -4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.039 -18.375 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.015 -16.513 -6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.443 -15.783 -6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.639 -16.945 -8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.322 -17.557 -7.599 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.561 -19.167 -6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.610 -18.271 -9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.849 -19.812 -10.568 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.865 -21.143 -8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.115 -21.424 -9.615 1.00 0.00 H new ATOM 652 N ARG A 41 -2.530 -19.023 -2.573 1.00 0.00 N ATOM 653 CA ARG A 41 -2.270 -20.040 -1.562 1.00 0.00 C ATOM 654 C ARG A 41 -3.490 -20.934 -1.375 1.00 0.00 C ATOM 655 O ARG A 41 -3.368 -22.152 -1.253 1.00 0.00 O ATOM 656 CB ARG A 41 -1.914 -19.375 -0.232 1.00 0.00 C ATOM 657 CG ARG A 41 -0.844 -20.205 0.483 1.00 0.00 C ATOM 658 CD ARG A 41 -0.597 -19.621 1.874 1.00 0.00 C ATOM 659 NE ARG A 41 -0.952 -20.597 2.907 1.00 0.00 N ATOM 660 CZ ARG A 41 -1.420 -20.213 4.090 1.00 0.00 C ATOM 661 NH1 ARG A 41 -1.571 -18.944 4.354 1.00 0.00 N ATOM 662 NH2 ARG A 41 -1.729 -21.107 4.989 1.00 0.00 N ATOM 0 H ARG A 41 -2.438 -18.062 -2.244 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.433 -20.653 -1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.549 -18.363 -0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.802 -19.290 0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.167 -21.243 0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.081 -20.203 -0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.451 -19.338 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.186 -18.713 2.004 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.838 -21.592 2.714 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.330 -18.245 3.652 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.930 -18.651 5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.611 -22.099 4.783 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.088 -20.814 5.897 1.00 0.00 H new ATOM 676 N ALA A 42 -4.668 -20.321 -1.353 1.00 0.00 N ATOM 677 CA ALA A 42 -5.906 -21.072 -1.182 1.00 0.00 C ATOM 678 C ALA A 42 -6.091 -22.064 -2.322 1.00 0.00 C ATOM 679 O ALA A 42 -6.468 -23.214 -2.105 1.00 0.00 O ATOM 680 CB ALA A 42 -7.098 -20.112 -1.135 1.00 0.00 C ATOM 0 H ALA A 42 -4.792 -19.313 -1.451 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.849 -21.623 -0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.019 -20.681 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.978 -19.423 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.147 -19.547 -2.066 1.00 0.00 H new ATOM 686 N LEU A 43 -5.827 -21.610 -3.541 1.00 0.00 N ATOM 687 CA LEU A 43 -5.975 -22.468 -4.709 1.00 0.00 C ATOM 688 C LEU A 43 -5.156 -23.740 -4.546 1.00 0.00 C ATOM 689 O LEU A 43 -5.647 -24.843 -4.787 1.00 0.00 O ATOM 690 CB LEU A 43 -5.521 -21.716 -5.970 1.00 0.00 C ATOM 691 CG LEU A 43 -6.713 -21.466 -6.899 1.00 0.00 C ATOM 692 CD1 LEU A 43 -7.289 -22.804 -7.373 1.00 0.00 C ATOM 693 CD2 LEU A 43 -7.792 -20.678 -6.145 1.00 0.00 C ATOM 0 H LEU A 43 -5.512 -20.662 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.026 -22.740 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.064 -20.767 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.759 -22.295 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.382 -20.892 -7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.137 -22.622 -8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.522 -23.360 -7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.619 -23.384 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.641 -20.500 -6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.121 -21.250 -5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.382 -19.723 -5.815 1.00 0.00 H new ATOM 705 N LYS A 44 -3.906 -23.584 -4.137 1.00 0.00 N ATOM 706 CA LYS A 44 -3.034 -24.735 -3.949 1.00 0.00 C ATOM 707 C LYS A 44 -3.506 -25.572 -2.765 1.00 0.00 C ATOM 708 O LYS A 44 -3.521 -26.800 -2.825 1.00 0.00 O ATOM 709 CB LYS A 44 -1.600 -24.267 -3.710 1.00 0.00 C ATOM 710 CG LYS A 44 -1.043 -23.657 -4.997 1.00 0.00 C ATOM 711 CD LYS A 44 0.021 -24.589 -5.584 1.00 0.00 C ATOM 712 CE LYS A 44 0.557 -23.997 -6.890 1.00 0.00 C ATOM 713 NZ LYS A 44 1.934 -23.471 -6.667 1.00 0.00 N ATOM 0 H LYS A 44 -3.476 -22.683 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.068 -25.349 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.575 -23.532 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.980 -25.106 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.847 -23.505 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.611 -22.678 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.835 -24.722 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.406 -25.575 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.569 -24.759 -7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.098 -23.197 -7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.300 -23.068 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.909 -22.732 -5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.555 -24.245 -6.356 1.00 0.00 H new ATOM 727 N GLN A 45 -3.894 -24.896 -1.688 1.00 0.00 N ATOM 728 CA GLN A 45 -4.366 -25.586 -0.493 1.00 0.00 C ATOM 729 C GLN A 45 -5.664 -26.333 -0.779 1.00 0.00 C ATOM 730 O GLN A 45 -6.036 -27.253 -0.051 1.00 0.00 O ATOM 731 CB GLN A 45 -4.595 -24.579 0.635 1.00 0.00 C ATOM 732 CG GLN A 45 -4.121 -25.177 1.961 1.00 0.00 C ATOM 733 CD GLN A 45 -2.601 -25.098 2.055 1.00 0.00 C ATOM 734 OE1 GLN A 45 -1.908 -26.065 1.736 1.00 0.00 O ATOM 735 NE2 GLN A 45 -2.038 -23.999 2.475 1.00 0.00 N ATOM 0 H GLN A 45 -3.891 -23.878 -1.618 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.606 -26.306 -0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.054 -23.656 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.652 -24.322 0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.574 -24.639 2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.445 -26.215 2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.614 -23.199 2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.022 -23.939 2.540 1.00 0.00 H new ATOM 744 N LYS A 46 -6.350 -25.929 -1.843 1.00 0.00 N ATOM 745 CA LYS A 46 -7.609 -26.567 -2.217 1.00 0.00 C ATOM 746 C LYS A 46 -7.349 -27.827 -3.037 1.00 0.00 C ATOM 747 O LYS A 46 -8.031 -28.839 -2.871 1.00 0.00 O ATOM 748 CB LYS A 46 -8.465 -25.594 -3.027 1.00 0.00 C ATOM 749 CG LYS A 46 -9.657 -25.140 -2.184 1.00 0.00 C ATOM 750 CD LYS A 46 -10.442 -24.067 -2.943 1.00 0.00 C ATOM 751 CE LYS A 46 -11.936 -24.394 -2.892 1.00 0.00 C ATOM 752 NZ LYS A 46 -12.334 -24.679 -1.484 1.00 0.00 N ATOM 0 H LYS A 46 -6.059 -25.169 -2.458 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.139 -26.845 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.869 -24.732 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.814 -26.074 -3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.303 -25.989 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.311 -24.745 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.258 -23.087 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.105 -24.019 -3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.516 -23.558 -3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.153 -25.255 -3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.305 -24.344 -1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.288 -25.703 -1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.687 -24.189 -0.834 1.00 0.00 H new ATOM 766 N ILE A 47 -6.362 -27.759 -3.921 1.00 0.00 N ATOM 767 CA ILE A 47 -6.022 -28.901 -4.763 1.00 0.00 C ATOM 768 C ILE A 47 -4.951 -29.760 -4.095 1.00 0.00 C ATOM 769 O ILE A 47 -4.644 -30.859 -4.559 1.00 0.00 O ATOM 770 CB ILE A 47 -5.514 -28.417 -6.122 1.00 0.00 C ATOM 771 CG1 ILE A 47 -5.688 -29.530 -7.158 1.00 0.00 C ATOM 772 CG2 ILE A 47 -4.033 -28.049 -6.015 1.00 0.00 C ATOM 773 CD1 ILE A 47 -7.026 -29.354 -7.876 1.00 0.00 C ATOM 0 H ILE A 47 -5.786 -26.932 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.920 -29.503 -4.904 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.084 -27.540 -6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.870 -29.502 -7.878 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.650 -30.504 -6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.673 -27.704 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.908 -27.256 -5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.462 -28.925 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.150 -30.147 -8.614 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.838 -29.404 -7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.046 -28.386 -8.377 1.00 0.00 H new ATOM 785 N TRP A 48 -4.385 -29.251 -3.005 1.00 0.00 N ATOM 786 CA TRP A 48 -3.349 -29.979 -2.280 1.00 0.00 C ATOM 787 C TRP A 48 -3.425 -29.669 -0.784 1.00 0.00 C ATOM 788 O TRP A 48 -2.513 -29.072 -0.210 1.00 0.00 O ATOM 789 CB TRP A 48 -1.969 -29.598 -2.822 1.00 0.00 C ATOM 790 CG TRP A 48 -0.911 -30.175 -1.937 1.00 0.00 C ATOM 791 CD1 TRP A 48 -0.828 -31.473 -1.567 1.00 0.00 C ATOM 792 CD2 TRP A 48 0.212 -29.496 -1.304 1.00 0.00 C ATOM 793 NE1 TRP A 48 0.273 -31.635 -0.748 1.00 0.00 N ATOM 794 CE2 TRP A 48 0.947 -30.445 -0.555 1.00 0.00 C ATOM 795 CE3 TRP A 48 0.660 -28.163 -1.307 1.00 0.00 C ATOM 796 CZ2 TRP A 48 2.087 -30.085 0.165 1.00 0.00 C ATOM 797 CZ3 TRP A 48 1.805 -27.796 -0.582 1.00 0.00 C ATOM 798 CH2 TRP A 48 2.517 -28.756 0.152 1.00 0.00 C ATOM 0 H TRP A 48 -4.624 -28.343 -2.606 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.508 -31.048 -2.423 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.850 -29.970 -3.840 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.870 -28.513 -2.866 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.511 -32.255 -1.863 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.554 -32.525 -0.336 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.120 -27.417 -1.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.632 -30.828 0.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.139 -26.769 -0.590 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.397 -28.468 0.707 1.00 0.00 H new ATOM 809 N PRO A 49 -4.496 -30.059 -0.150 1.00 0.00 N ATOM 810 CA PRO A 49 -4.696 -29.820 1.305 1.00 0.00 C ATOM 811 C PRO A 49 -3.859 -30.767 2.163 1.00 0.00 C ATOM 812 O PRO A 49 -3.235 -30.293 3.098 1.00 0.00 O ATOM 813 CB PRO A 49 -6.189 -30.071 1.509 1.00 0.00 C ATOM 814 CG PRO A 49 -6.597 -30.999 0.411 1.00 0.00 C ATOM 815 CD PRO A 49 -5.636 -30.765 -0.756 1.00 0.00 C ATOM 816 OXT PRO A 49 -3.857 -31.952 1.870 1.00 0.00 O ATOM 0 HA PRO A 49 -4.384 -28.820 1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.382 -30.513 2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.752 -29.139 1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.551 -32.035 0.746 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.626 -30.807 0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.326 -31.706 -1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.101 -30.169 -1.541 1.00 0.00 H new TER 824 PRO A 49