USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.116 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 44:sc= 1.21 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 67:sc= 0.488 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0954 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 139:sc= -0.298 (180deg=-1.11) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0615 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00933 X(o=-0.0093,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.745 60.153 -9.132 1.00 0.00 N ATOM 2 CA GLY A 1 -27.927 58.962 -9.289 1.00 0.00 C ATOM 3 C GLY A 1 -28.799 57.726 -9.522 1.00 0.00 C ATOM 4 O GLY A 1 -30.024 57.827 -9.575 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.502 60.841 -9.873 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.750 59.897 -9.214 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.570 60.574 -8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.244 59.093 -10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.314 58.817 -8.399 1.00 0.00 H new ATOM 8 N SER A 2 -28.133 56.589 -9.654 1.00 0.00 N ATOM 9 CA SER A 2 -28.831 55.335 -9.880 1.00 0.00 C ATOM 10 C SER A 2 -27.822 54.197 -10.051 1.00 0.00 C ATOM 11 O SER A 2 -26.724 54.408 -10.562 1.00 0.00 O ATOM 12 CB SER A 2 -29.742 55.424 -11.106 1.00 0.00 C ATOM 13 OG SER A 2 -29.055 55.937 -12.245 1.00 0.00 O ATOM 0 H SER A 2 -27.117 56.510 -9.609 1.00 0.00 H new ATOM 0 HA SER A 2 -29.456 55.131 -9.010 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.138 54.435 -11.336 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.595 56.063 -10.878 1.00 0.00 H new ATOM 0 HG SER A 2 -29.670 55.977 -13.007 1.00 0.00 H new ATOM 19 N SER A 3 -28.231 53.015 -9.612 1.00 0.00 N ATOM 20 CA SER A 3 -27.377 51.844 -9.710 1.00 0.00 C ATOM 21 C SER A 3 -28.163 50.589 -9.325 1.00 0.00 C ATOM 22 O SER A 3 -29.302 50.681 -8.870 1.00 0.00 O ATOM 23 CB SER A 3 -26.140 51.989 -8.821 1.00 0.00 C ATOM 24 OG SER A 3 -25.051 52.590 -9.516 1.00 0.00 O ATOM 0 H SER A 3 -29.143 52.844 -9.188 1.00 0.00 H new ATOM 0 HA SER A 3 -27.041 51.751 -10.743 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.390 52.592 -7.948 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.839 51.007 -8.455 1.00 0.00 H new ATOM 0 HG SER A 3 -25.377 53.353 -10.037 1.00 0.00 H new ATOM 30 N GLY A 4 -27.524 49.446 -9.522 1.00 0.00 N ATOM 31 CA GLY A 4 -28.149 48.174 -9.202 1.00 0.00 C ATOM 32 C GLY A 4 -27.258 47.003 -9.622 1.00 0.00 C ATOM 33 O GLY A 4 -26.481 47.119 -10.568 1.00 0.00 O ATOM 0 H GLY A 4 -26.579 49.374 -9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.345 48.120 -8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.113 48.101 -9.706 1.00 0.00 H new ATOM 37 N SER A 5 -27.400 45.903 -8.897 1.00 0.00 N ATOM 38 CA SER A 5 -26.617 44.713 -9.183 1.00 0.00 C ATOM 39 C SER A 5 -27.133 43.536 -8.352 1.00 0.00 C ATOM 40 O SER A 5 -27.722 43.732 -7.291 1.00 0.00 O ATOM 41 CB SER A 5 -25.132 44.950 -8.902 1.00 0.00 C ATOM 42 OG SER A 5 -24.300 44.064 -9.646 1.00 0.00 O ATOM 0 H SER A 5 -28.045 45.811 -8.112 1.00 0.00 H new ATOM 0 HA SER A 5 -26.725 44.478 -10.242 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.876 45.980 -9.149 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.939 44.820 -7.837 1.00 0.00 H new ATOM 0 HG SER A 5 -23.360 44.248 -9.440 1.00 0.00 H new ATOM 48 N SER A 6 -26.893 42.339 -8.868 1.00 0.00 N ATOM 49 CA SER A 6 -27.326 41.131 -8.187 1.00 0.00 C ATOM 50 C SER A 6 -27.163 39.923 -9.112 1.00 0.00 C ATOM 51 O SER A 6 -27.389 40.024 -10.317 1.00 0.00 O ATOM 52 CB SER A 6 -28.778 41.251 -7.722 1.00 0.00 C ATOM 53 OG SER A 6 -28.873 41.450 -6.314 1.00 0.00 O ATOM 0 H SER A 6 -26.404 42.180 -9.749 1.00 0.00 H new ATOM 0 HA SER A 6 -26.701 40.993 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.257 42.083 -8.239 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.323 40.348 -7.998 1.00 0.00 H new ATOM 0 HG SER A 6 -28.507 42.329 -6.082 1.00 0.00 H new ATOM 59 N GLY A 7 -26.772 38.807 -8.512 1.00 0.00 N ATOM 60 CA GLY A 7 -26.577 37.581 -9.267 1.00 0.00 C ATOM 61 C GLY A 7 -26.242 36.413 -8.338 1.00 0.00 C ATOM 62 O GLY A 7 -25.192 36.405 -7.698 1.00 0.00 O ATOM 0 H GLY A 7 -26.585 38.727 -7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.479 37.352 -9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.772 37.718 -9.989 1.00 0.00 H new ATOM 66 N THR A 8 -27.156 35.454 -8.293 1.00 0.00 N ATOM 67 CA THR A 8 -26.971 34.283 -7.452 1.00 0.00 C ATOM 68 C THR A 8 -26.235 33.185 -8.222 1.00 0.00 C ATOM 69 O THR A 8 -26.346 33.097 -9.444 1.00 0.00 O ATOM 70 CB THR A 8 -28.345 33.849 -6.938 1.00 0.00 C ATOM 71 OG1 THR A 8 -29.205 34.018 -8.061 1.00 0.00 O ATOM 72 CG2 THR A 8 -28.908 34.810 -5.889 1.00 0.00 C ATOM 0 H THR A 8 -28.026 35.464 -8.825 1.00 0.00 H new ATOM 0 HA THR A 8 -26.342 34.509 -6.591 1.00 0.00 H new ATOM 0 HB THR A 8 -28.274 32.848 -6.512 1.00 0.00 H new ATOM 0 HG1 THR A 8 -30.117 33.757 -7.816 1.00 0.00 H new ATOM 0 HG21 THR A 8 -29.884 34.456 -5.558 1.00 0.00 H new ATOM 0 HG22 THR A 8 -28.230 34.856 -5.037 1.00 0.00 H new ATOM 0 HG23 THR A 8 -29.011 35.804 -6.324 1.00 0.00 H new ATOM 80 N SER A 9 -25.500 32.374 -7.475 1.00 0.00 N ATOM 81 CA SER A 9 -24.746 31.285 -8.073 1.00 0.00 C ATOM 82 C SER A 9 -24.070 30.455 -6.979 1.00 0.00 C ATOM 83 O SER A 9 -23.657 30.992 -5.953 1.00 0.00 O ATOM 84 CB SER A 9 -23.703 31.813 -9.059 1.00 0.00 C ATOM 85 OG SER A 9 -22.881 32.822 -8.478 1.00 0.00 O ATOM 0 H SER A 9 -25.411 32.449 -6.462 1.00 0.00 H new ATOM 0 HA SER A 9 -25.440 30.651 -8.625 1.00 0.00 H new ATOM 0 HB2 SER A 9 -23.078 30.988 -9.401 1.00 0.00 H new ATOM 0 HB3 SER A 9 -24.206 32.217 -9.937 1.00 0.00 H new ATOM 0 HG SER A 9 -22.227 33.132 -9.139 1.00 0.00 H new ATOM 91 N SER A 10 -23.980 29.158 -7.236 1.00 0.00 N ATOM 92 CA SER A 10 -23.361 28.249 -6.286 1.00 0.00 C ATOM 93 C SER A 10 -23.331 26.832 -6.862 1.00 0.00 C ATOM 94 O SER A 10 -24.224 26.445 -7.615 1.00 0.00 O ATOM 95 CB SER A 10 -24.103 28.262 -4.948 1.00 0.00 C ATOM 96 OG SER A 10 -23.394 27.550 -3.938 1.00 0.00 O ATOM 0 H SER A 10 -24.325 28.715 -8.088 1.00 0.00 H new ATOM 0 HA SER A 10 -22.339 28.584 -6.107 1.00 0.00 H new ATOM 0 HB2 SER A 10 -24.254 29.293 -4.627 1.00 0.00 H new ATOM 0 HB3 SER A 10 -25.091 27.820 -5.077 1.00 0.00 H new ATOM 0 HG SER A 10 -23.899 27.583 -3.099 1.00 0.00 H new ATOM 102 N ASN A 11 -22.295 26.096 -6.487 1.00 0.00 N ATOM 103 CA ASN A 11 -22.137 24.731 -6.957 1.00 0.00 C ATOM 104 C ASN A 11 -21.932 23.804 -5.757 1.00 0.00 C ATOM 105 O ASN A 11 -21.385 24.216 -4.735 1.00 0.00 O ATOM 106 CB ASN A 11 -20.916 24.600 -7.869 1.00 0.00 C ATOM 107 CG ASN A 11 -21.309 24.025 -9.232 1.00 0.00 C ATOM 108 OD1 ASN A 11 -21.082 22.865 -9.533 1.00 0.00 O ATOM 109 ND2 ASN A 11 -21.909 24.899 -10.035 1.00 0.00 N ATOM 0 H ASN A 11 -21.556 26.420 -5.863 1.00 0.00 H new ATOM 0 HA ASN A 11 -23.034 24.460 -7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -20.451 25.577 -8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -20.174 23.955 -7.399 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -22.210 24.613 -10.967 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -22.068 25.856 -9.719 1.00 0.00 H new ATOM 116 N PRO A 12 -22.394 22.535 -5.925 1.00 0.00 N ATOM 117 CA PRO A 12 -22.266 21.547 -4.868 1.00 0.00 C ATOM 118 C PRO A 12 -20.825 21.044 -4.758 1.00 0.00 C ATOM 119 O PRO A 12 -20.307 20.869 -3.655 1.00 0.00 O ATOM 120 CB PRO A 12 -23.251 20.449 -5.235 1.00 0.00 C ATOM 121 CG PRO A 12 -23.553 20.638 -6.713 1.00 0.00 C ATOM 122 CD PRO A 12 -23.047 22.011 -7.121 1.00 0.00 C ATOM 0 HA PRO A 12 -22.492 21.954 -3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -22.826 19.463 -5.046 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -24.160 20.524 -4.638 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -23.068 19.861 -7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -24.624 20.556 -6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -22.350 21.944 -7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -23.866 22.656 -7.440 1.00 0.00 H new ATOM 130 N VAL A 13 -20.218 20.826 -5.915 1.00 0.00 N ATOM 131 CA VAL A 13 -18.847 20.348 -5.962 1.00 0.00 C ATOM 132 C VAL A 13 -18.642 19.291 -4.875 1.00 0.00 C ATOM 133 O VAL A 13 -17.757 19.427 -4.031 1.00 0.00 O ATOM 134 CB VAL A 13 -17.877 21.525 -5.842 1.00 0.00 C ATOM 135 CG1 VAL A 13 -18.110 22.296 -4.541 1.00 0.00 C ATOM 136 CG2 VAL A 13 -16.426 21.053 -5.948 1.00 0.00 C ATOM 0 H VAL A 13 -20.651 20.972 -6.827 1.00 0.00 H new ATOM 0 HA VAL A 13 -18.642 19.872 -6.921 1.00 0.00 H new ATOM 0 HB VAL A 13 -18.069 22.204 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -17.408 23.127 -4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -19.130 22.680 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.959 21.630 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.757 21.909 -5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -16.215 20.344 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.270 20.569 -6.912 1.00 0.00 H new ATOM 146 N LEU A 14 -19.475 18.262 -4.930 1.00 0.00 N ATOM 147 CA LEU A 14 -19.397 17.183 -3.960 1.00 0.00 C ATOM 148 C LEU A 14 -19.243 15.851 -4.697 1.00 0.00 C ATOM 149 O LEU A 14 -20.222 15.296 -5.193 1.00 0.00 O ATOM 150 CB LEU A 14 -20.597 17.227 -3.012 1.00 0.00 C ATOM 151 CG LEU A 14 -20.521 18.255 -1.881 1.00 0.00 C ATOM 152 CD1 LEU A 14 -21.904 18.832 -1.572 1.00 0.00 C ATOM 153 CD2 LEU A 14 -19.859 17.656 -0.639 1.00 0.00 C ATOM 0 H LEU A 14 -20.207 18.153 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 14 -18.517 17.301 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.492 17.429 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -20.722 16.239 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 14 -19.893 19.082 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -21.822 19.560 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -22.302 19.320 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -22.574 18.028 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -19.818 18.407 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -20.439 16.800 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -18.848 17.333 -0.886 1.00 0.00 H new ATOM 165 N GLU A 15 -18.007 15.377 -4.745 1.00 0.00 N ATOM 166 CA GLU A 15 -17.712 14.121 -5.413 1.00 0.00 C ATOM 167 C GLU A 15 -16.329 13.612 -5.002 1.00 0.00 C ATOM 168 O GLU A 15 -15.335 14.321 -5.148 1.00 0.00 O ATOM 169 CB GLU A 15 -17.812 14.271 -6.932 1.00 0.00 C ATOM 170 CG GLU A 15 -18.286 12.970 -7.582 1.00 0.00 C ATOM 171 CD GLU A 15 -19.344 13.245 -8.653 1.00 0.00 C ATOM 172 OE1 GLU A 15 -19.057 14.088 -9.531 1.00 0.00 O ATOM 173 OE2 GLU A 15 -20.415 12.607 -8.570 1.00 0.00 O ATOM 0 H GLU A 15 -17.198 15.840 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 15 -18.454 13.385 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.504 15.077 -7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.840 14.551 -7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -17.437 12.452 -8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -18.698 12.308 -6.820 1.00 0.00 H new ATOM 180 N LEU A 16 -16.311 12.388 -4.495 1.00 0.00 N ATOM 181 CA LEU A 16 -15.066 11.777 -4.062 1.00 0.00 C ATOM 182 C LEU A 16 -15.117 10.273 -4.340 1.00 0.00 C ATOM 183 O LEU A 16 -15.799 9.531 -3.635 1.00 0.00 O ATOM 184 CB LEU A 16 -14.780 12.122 -2.599 1.00 0.00 C ATOM 185 CG LEU A 16 -14.034 13.435 -2.353 1.00 0.00 C ATOM 186 CD1 LEU A 16 -14.592 14.161 -1.128 1.00 0.00 C ATOM 187 CD2 LEU A 16 -12.527 13.197 -2.241 1.00 0.00 C ATOM 0 H LEU A 16 -17.138 11.803 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 16 -14.227 12.179 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.728 12.160 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.199 11.310 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.194 14.085 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.044 15.091 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.647 14.383 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.483 13.527 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.021 14.146 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.326 12.520 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.159 12.754 -3.167 1.00 0.00 H new ATOM 199 N GLU A 17 -14.388 9.869 -5.369 1.00 0.00 N ATOM 200 CA GLU A 17 -14.342 8.467 -5.749 1.00 0.00 C ATOM 201 C GLU A 17 -13.359 8.262 -6.904 1.00 0.00 C ATOM 202 O GLU A 17 -13.405 8.984 -7.899 1.00 0.00 O ATOM 203 CB GLU A 17 -15.735 7.953 -6.118 1.00 0.00 C ATOM 204 CG GLU A 17 -16.221 6.914 -5.106 1.00 0.00 C ATOM 205 CD GLU A 17 -15.458 5.597 -5.262 1.00 0.00 C ATOM 206 OE1 GLU A 17 -14.210 5.665 -5.298 1.00 0.00 O ATOM 207 OE2 GLU A 17 -16.139 4.552 -5.343 1.00 0.00 O ATOM 0 H GLU A 17 -13.824 10.488 -5.952 1.00 0.00 H new ATOM 0 HA GLU A 17 -13.992 7.890 -4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.436 8.787 -6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.712 7.512 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.089 7.297 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -17.288 6.739 -5.244 1.00 0.00 H new ATOM 214 N LEU A 18 -12.492 7.274 -6.732 1.00 0.00 N ATOM 215 CA LEU A 18 -11.500 6.965 -7.747 1.00 0.00 C ATOM 216 C LEU A 18 -11.752 5.557 -8.290 1.00 0.00 C ATOM 217 O LEU A 18 -12.138 4.660 -7.542 1.00 0.00 O ATOM 218 CB LEU A 18 -10.087 7.167 -7.195 1.00 0.00 C ATOM 219 CG LEU A 18 -9.511 8.578 -7.326 1.00 0.00 C ATOM 220 CD1 LEU A 18 -9.404 8.993 -8.795 1.00 0.00 C ATOM 221 CD2 LEU A 18 -10.325 9.581 -6.505 1.00 0.00 C ATOM 0 H LEU A 18 -12.457 6.678 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.590 7.652 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.088 6.893 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.417 6.474 -7.704 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.500 8.573 -6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.992 10.000 -8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.750 8.299 -9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.394 8.976 -9.251 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.894 10.576 -6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.356 9.590 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.305 9.292 -5.454 1.00 0.00 H new ATOM 233 N ALA A 19 -11.525 5.407 -9.586 1.00 0.00 N ATOM 234 CA ALA A 19 -11.723 4.123 -10.237 1.00 0.00 C ATOM 235 C ALA A 19 -10.781 4.014 -11.438 1.00 0.00 C ATOM 236 O ALA A 19 -9.812 4.764 -11.541 1.00 0.00 O ATOM 237 CB ALA A 19 -13.193 3.973 -10.633 1.00 0.00 C ATOM 0 H ALA A 19 -11.206 6.153 -10.203 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.484 3.306 -9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.342 3.010 -11.121 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.817 4.028 -9.741 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.469 4.774 -11.319 1.00 0.00 H new ATOM 243 N GLU A 20 -11.100 3.075 -12.316 1.00 0.00 N ATOM 244 CA GLU A 20 -10.295 2.858 -13.506 1.00 0.00 C ATOM 245 C GLU A 20 -8.924 2.295 -13.124 1.00 0.00 C ATOM 246 O GLU A 20 -7.908 2.974 -13.269 1.00 0.00 O ATOM 247 CB GLU A 20 -10.151 4.150 -14.314 1.00 0.00 C ATOM 248 CG GLU A 20 -10.248 3.872 -15.815 1.00 0.00 C ATOM 249 CD GLU A 20 -10.561 5.152 -16.591 1.00 0.00 C ATOM 250 OE1 GLU A 20 -9.761 6.104 -16.463 1.00 0.00 O ATOM 251 OE2 GLU A 20 -11.594 5.151 -17.295 1.00 0.00 O ATOM 0 H GLU A 20 -11.905 2.455 -12.227 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.803 2.128 -14.137 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.928 4.855 -14.020 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.193 4.619 -14.089 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.309 3.447 -16.171 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.025 3.130 -16.002 1.00 0.00 H new ATOM 258 N GLU A 21 -8.940 1.061 -12.644 1.00 0.00 N ATOM 259 CA GLU A 21 -7.711 0.399 -12.240 1.00 0.00 C ATOM 260 C GLU A 21 -7.216 -0.526 -13.354 1.00 0.00 C ATOM 261 O GLU A 21 -6.669 -1.594 -13.081 1.00 0.00 O ATOM 262 CB GLU A 21 -7.907 -0.371 -10.933 1.00 0.00 C ATOM 263 CG GLU A 21 -7.891 0.575 -9.731 1.00 0.00 C ATOM 264 CD GLU A 21 -6.467 0.767 -9.204 1.00 0.00 C ATOM 265 OE1 GLU A 21 -5.973 -0.176 -8.548 1.00 0.00 O ATOM 266 OE2 GLU A 21 -5.905 1.851 -9.469 1.00 0.00 O ATOM 0 H GLU A 21 -9.785 0.502 -12.526 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.952 1.161 -12.063 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.854 -0.910 -10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.119 -1.116 -10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.310 1.540 -10.017 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.525 0.174 -8.940 1.00 0.00 H new ATOM 273 N LYS A 22 -7.427 -0.084 -14.585 1.00 0.00 N ATOM 274 CA LYS A 22 -7.009 -0.859 -15.740 1.00 0.00 C ATOM 275 C LYS A 22 -5.501 -0.693 -15.942 1.00 0.00 C ATOM 276 O LYS A 22 -4.789 -0.287 -15.025 1.00 0.00 O ATOM 277 CB LYS A 22 -7.839 -0.481 -16.968 1.00 0.00 C ATOM 278 CG LYS A 22 -8.263 -1.727 -17.748 1.00 0.00 C ATOM 279 CD LYS A 22 -7.941 -1.578 -19.237 1.00 0.00 C ATOM 280 CE LYS A 22 -8.092 -2.913 -19.967 1.00 0.00 C ATOM 281 NZ LYS A 22 -9.199 -2.845 -20.948 1.00 0.00 N ATOM 0 H LYS A 22 -7.882 0.801 -14.807 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.194 -1.920 -15.573 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.723 0.076 -16.657 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.259 0.177 -17.615 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.752 -2.602 -17.348 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.332 -1.895 -17.619 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.605 -0.838 -19.684 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.923 -1.207 -19.357 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.161 -3.163 -20.477 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.285 -3.708 -19.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.288 -3.760 -21.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.088 -2.628 -20.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.000 -2.100 -21.645 1.00 0.00 H new ATOM 295 N LEU A 23 -5.059 -1.016 -17.149 1.00 0.00 N ATOM 296 CA LEU A 23 -3.649 -0.907 -17.483 1.00 0.00 C ATOM 297 C LEU A 23 -2.844 -1.855 -16.592 1.00 0.00 C ATOM 298 O LEU A 23 -3.242 -2.140 -15.463 1.00 0.00 O ATOM 299 CB LEU A 23 -3.190 0.550 -17.404 1.00 0.00 C ATOM 300 CG LEU A 23 -2.820 1.210 -18.734 1.00 0.00 C ATOM 301 CD1 LEU A 23 -3.556 2.539 -18.910 1.00 0.00 C ATOM 302 CD2 LEU A 23 -1.304 1.373 -18.861 1.00 0.00 C ATOM 0 H LEU A 23 -5.652 -1.353 -17.907 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.477 -1.215 -18.514 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.983 1.135 -16.939 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.325 0.602 -16.742 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.143 0.554 -19.543 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.275 2.987 -19.863 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.632 2.364 -18.894 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.286 3.214 -18.098 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.067 1.844 -19.815 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.936 1.997 -18.047 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.827 0.394 -18.812 1.00 0.00 H new ATOM 314 N PRO A 24 -1.696 -2.329 -17.146 1.00 0.00 N ATOM 315 CA PRO A 24 -0.832 -3.239 -16.414 1.00 0.00 C ATOM 316 C PRO A 24 -0.043 -2.496 -15.334 1.00 0.00 C ATOM 317 O PRO A 24 -0.397 -1.378 -14.960 1.00 0.00 O ATOM 318 CB PRO A 24 0.059 -3.871 -17.471 1.00 0.00 C ATOM 319 CG PRO A 24 -0.020 -2.957 -18.684 1.00 0.00 C ATOM 320 CD PRO A 24 -1.194 -2.014 -18.480 1.00 0.00 C ATOM 0 HA PRO A 24 -1.389 -4.004 -15.872 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.085 -3.959 -17.115 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.281 -4.877 -17.717 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.906 -2.394 -18.799 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.153 -3.541 -19.594 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.881 -0.972 -18.549 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.962 -2.168 -19.238 1.00 0.00 H new ATOM 328 N MET A 25 1.011 -3.146 -14.863 1.00 0.00 N ATOM 329 CA MET A 25 1.852 -2.560 -13.833 1.00 0.00 C ATOM 330 C MET A 25 2.462 -1.240 -14.308 1.00 0.00 C ATOM 331 O MET A 25 3.422 -1.237 -15.078 1.00 0.00 O ATOM 332 CB MET A 25 2.971 -3.539 -13.471 1.00 0.00 C ATOM 333 CG MET A 25 3.271 -3.499 -11.971 1.00 0.00 C ATOM 334 SD MET A 25 4.803 -4.348 -11.631 1.00 0.00 S ATOM 335 CE MET A 25 4.228 -5.570 -10.464 1.00 0.00 C ATOM 0 H MET A 25 1.302 -4.072 -15.175 1.00 0.00 H new ATOM 0 HA MET A 25 1.235 -2.358 -12.957 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.683 -4.549 -13.761 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.872 -3.291 -14.032 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.336 -2.465 -11.632 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.457 -3.965 -11.417 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.707 -6.526 -10.673 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.478 -5.252 -9.452 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.147 -5.679 -10.554 1.00 0.00 H new ATOM 345 N THR A 26 1.881 -0.150 -13.830 1.00 0.00 N ATOM 346 CA THR A 26 2.355 1.173 -14.196 1.00 0.00 C ATOM 347 C THR A 26 3.540 1.578 -13.317 1.00 0.00 C ATOM 348 O THR A 26 4.531 2.112 -13.812 1.00 0.00 O ATOM 349 CB THR A 26 1.173 2.141 -14.106 1.00 0.00 C ATOM 350 OG1 THR A 26 0.625 1.900 -12.813 1.00 0.00 O ATOM 351 CG2 THR A 26 0.040 1.772 -15.065 1.00 0.00 C ATOM 0 H THR A 26 1.085 -0.156 -13.192 1.00 0.00 H new ATOM 0 HA THR A 26 2.730 1.189 -15.219 1.00 0.00 H new ATOM 0 HB THR A 26 1.516 3.153 -14.321 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.146 2.488 -12.670 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.773 2.490 -14.961 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.411 1.789 -16.090 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.326 0.773 -14.829 1.00 0.00 H new ATOM 359 N LEU A 27 3.398 1.308 -12.027 1.00 0.00 N ATOM 360 CA LEU A 27 4.444 1.637 -11.074 1.00 0.00 C ATOM 361 C LEU A 27 5.226 0.369 -10.724 1.00 0.00 C ATOM 362 O LEU A 27 4.694 -0.536 -10.083 1.00 0.00 O ATOM 363 CB LEU A 27 3.854 2.351 -9.857 1.00 0.00 C ATOM 364 CG LEU A 27 2.609 3.202 -10.116 1.00 0.00 C ATOM 365 CD1 LEU A 27 1.810 3.411 -8.829 1.00 0.00 C ATOM 366 CD2 LEU A 27 2.980 4.528 -10.782 1.00 0.00 C ATOM 0 H LEU A 27 2.574 0.865 -11.620 1.00 0.00 H new ATOM 0 HA LEU A 27 5.153 2.338 -11.513 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.607 1.601 -9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.624 2.991 -9.428 1.00 0.00 H new ATOM 0 HG LEU A 27 1.965 2.662 -10.810 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.931 4.019 -9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.496 2.445 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.433 3.919 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.077 5.113 -10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.655 5.085 -10.132 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.473 4.332 -11.734 1.00 0.00 H new ATOM 378 N SER A 28 6.477 0.344 -11.161 1.00 0.00 N ATOM 379 CA SER A 28 7.337 -0.798 -10.902 1.00 0.00 C ATOM 380 C SER A 28 7.625 -0.906 -9.403 1.00 0.00 C ATOM 381 O SER A 28 7.344 0.020 -8.644 1.00 0.00 O ATOM 382 CB SER A 28 8.646 -0.691 -11.687 1.00 0.00 C ATOM 383 OG SER A 28 8.818 -1.781 -12.588 1.00 0.00 O ATOM 0 H SER A 28 6.915 1.096 -11.693 1.00 0.00 H new ATOM 0 HA SER A 28 6.819 -1.698 -11.232 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.659 0.246 -12.244 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.485 -0.660 -10.991 1.00 0.00 H new ATOM 0 HG SER A 28 9.664 -1.675 -13.071 1.00 0.00 H new ATOM 389 N ARG A 29 8.183 -2.046 -9.021 1.00 0.00 N ATOM 390 CA ARG A 29 8.513 -2.287 -7.627 1.00 0.00 C ATOM 391 C ARG A 29 9.007 -0.998 -6.967 1.00 0.00 C ATOM 392 O ARG A 29 8.342 -0.451 -6.089 1.00 0.00 O ATOM 393 CB ARG A 29 9.590 -3.366 -7.494 1.00 0.00 C ATOM 394 CG ARG A 29 10.452 -3.438 -8.756 1.00 0.00 C ATOM 395 CD ARG A 29 11.910 -3.741 -8.407 1.00 0.00 C ATOM 396 NE ARG A 29 12.753 -3.635 -9.619 1.00 0.00 N ATOM 397 CZ ARG A 29 12.861 -4.596 -10.546 1.00 0.00 C ATOM 398 NH1 ARG A 29 12.179 -5.741 -10.406 1.00 0.00 N ATOM 399 NH2 ARG A 29 13.650 -4.412 -11.613 1.00 0.00 N ATOM 0 H ARG A 29 8.415 -2.812 -9.653 1.00 0.00 H new ATOM 0 HA ARG A 29 7.607 -2.631 -7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.220 -3.152 -6.631 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.121 -4.333 -7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.065 -4.210 -9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.392 -2.493 -9.296 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.263 -3.044 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.991 -4.742 -7.984 1.00 0.00 H new ATOM 0 HE ARG A 29 13.285 -2.776 -9.757 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.578 -5.881 -9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.261 -6.473 -11.112 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.169 -3.540 -11.720 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.732 -5.144 -12.319 1.00 0.00 H new ATOM 413 N GLN A 30 10.171 -0.551 -7.416 1.00 0.00 N ATOM 414 CA GLN A 30 10.762 0.664 -6.880 1.00 0.00 C ATOM 415 C GLN A 30 9.725 1.788 -6.843 1.00 0.00 C ATOM 416 O GLN A 30 9.547 2.440 -5.815 1.00 0.00 O ATOM 417 CB GLN A 30 11.992 1.079 -7.691 1.00 0.00 C ATOM 418 CG GLN A 30 13.232 1.167 -6.799 1.00 0.00 C ATOM 419 CD GLN A 30 14.476 1.504 -7.623 1.00 0.00 C ATOM 420 OE1 GLN A 30 14.576 2.547 -8.247 1.00 0.00 O ATOM 421 NE2 GLN A 30 15.417 0.564 -7.591 1.00 0.00 N ATOM 0 H GLN A 30 10.720 -1.008 -8.144 1.00 0.00 H new ATOM 0 HA GLN A 30 11.090 0.466 -5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.165 0.359 -8.490 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.811 2.044 -8.165 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.081 1.928 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.380 0.219 -6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.270 -0.287 -7.048 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.286 0.694 -8.109 1.00 0.00 H new ATOM 430 N GLU A 31 9.067 1.980 -7.977 1.00 0.00 N ATOM 431 CA GLU A 31 8.052 3.014 -8.087 1.00 0.00 C ATOM 432 C GLU A 31 6.997 2.841 -6.992 1.00 0.00 C ATOM 433 O GLU A 31 6.322 3.799 -6.619 1.00 0.00 O ATOM 434 CB GLU A 31 7.407 3.004 -9.475 1.00 0.00 C ATOM 435 CG GLU A 31 6.626 4.295 -9.725 1.00 0.00 C ATOM 436 CD GLU A 31 7.568 5.497 -9.820 1.00 0.00 C ATOM 437 OE1 GLU A 31 8.637 5.332 -10.446 1.00 0.00 O ATOM 438 OE2 GLU A 31 7.198 6.553 -9.263 1.00 0.00 O ATOM 0 H GLU A 31 9.217 1.437 -8.827 1.00 0.00 H new ATOM 0 HA GLU A 31 8.533 3.983 -7.952 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.177 2.887 -10.237 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.739 2.147 -9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.053 4.204 -10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.910 4.453 -8.919 1.00 0.00 H new ATOM 445 N VAL A 32 6.889 1.613 -6.507 1.00 0.00 N ATOM 446 CA VAL A 32 5.928 1.303 -5.462 1.00 0.00 C ATOM 447 C VAL A 32 6.619 1.386 -4.099 1.00 0.00 C ATOM 448 O VAL A 32 5.994 1.751 -3.104 1.00 0.00 O ATOM 449 CB VAL A 32 5.290 -0.063 -5.726 1.00 0.00 C ATOM 450 CG1 VAL A 32 4.677 -0.638 -4.448 1.00 0.00 C ATOM 451 CG2 VAL A 32 4.249 0.026 -6.843 1.00 0.00 C ATOM 0 H VAL A 32 7.451 0.821 -6.818 1.00 0.00 H new ATOM 0 HA VAL A 32 5.117 2.031 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 32 6.076 -0.743 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.230 -1.609 -4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.454 -0.756 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.909 0.040 -4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.811 -0.958 -7.011 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.466 0.728 -6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.727 0.371 -7.759 1.00 0.00 H new ATOM 461 N ILE A 33 7.898 1.042 -4.098 1.00 0.00 N ATOM 462 CA ILE A 33 8.680 1.073 -2.873 1.00 0.00 C ATOM 463 C ILE A 33 8.896 2.527 -2.448 1.00 0.00 C ATOM 464 O ILE A 33 8.876 2.839 -1.258 1.00 0.00 O ATOM 465 CB ILE A 33 9.980 0.284 -3.047 1.00 0.00 C ATOM 466 CG1 ILE A 33 9.698 -1.213 -3.185 1.00 0.00 C ATOM 467 CG2 ILE A 33 10.958 0.582 -1.909 1.00 0.00 C ATOM 468 CD1 ILE A 33 10.971 -1.979 -3.550 1.00 0.00 C ATOM 0 H ILE A 33 8.413 0.740 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 33 8.141 0.580 -2.064 1.00 0.00 H new ATOM 0 HB ILE A 33 10.456 0.608 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.293 -1.598 -2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.940 -1.375 -3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.873 0.009 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.194 1.646 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.505 0.304 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.743 -3.041 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.360 -1.608 -4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.719 -1.835 -2.770 1.00 0.00 H new ATOM 480 N ARG A 34 9.096 3.378 -3.444 1.00 0.00 N ATOM 481 CA ARG A 34 9.314 4.791 -3.188 1.00 0.00 C ATOM 482 C ARG A 34 8.190 5.353 -2.315 1.00 0.00 C ATOM 483 O ARG A 34 8.428 5.768 -1.181 1.00 0.00 O ATOM 484 CB ARG A 34 9.380 5.584 -4.494 1.00 0.00 C ATOM 485 CG ARG A 34 10.199 6.865 -4.318 1.00 0.00 C ATOM 486 CD ARG A 34 10.211 7.690 -5.606 1.00 0.00 C ATOM 487 NE ARG A 34 11.362 8.620 -5.601 1.00 0.00 N ATOM 488 CZ ARG A 34 11.431 9.725 -4.847 1.00 0.00 C ATOM 489 NH1 ARG A 34 10.416 10.046 -4.033 1.00 0.00 N ATOM 490 NH2 ARG A 34 12.515 10.511 -4.908 1.00 0.00 N ATOM 0 H ARG A 34 9.112 3.116 -4.430 1.00 0.00 H new ATOM 0 HA ARG A 34 10.267 4.890 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.825 4.968 -5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.371 5.835 -4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.781 7.459 -3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.221 6.612 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.271 7.029 -6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.281 8.250 -5.697 1.00 0.00 H new ATOM 0 HE ARG A 34 12.152 8.406 -6.210 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.590 9.449 -3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.469 10.888 -3.459 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.287 10.268 -5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.568 11.352 -4.334 1.00 0.00 H new ATOM 504 N ARG A 35 6.990 5.347 -2.876 1.00 0.00 N ATOM 505 CA ARG A 35 5.828 5.851 -2.162 1.00 0.00 C ATOM 506 C ARG A 35 5.673 5.127 -0.823 1.00 0.00 C ATOM 507 O ARG A 35 5.753 5.749 0.235 1.00 0.00 O ATOM 508 CB ARG A 35 4.553 5.664 -2.986 1.00 0.00 C ATOM 509 CG ARG A 35 4.506 6.649 -4.156 1.00 0.00 C ATOM 510 CD ARG A 35 4.169 5.931 -5.464 1.00 0.00 C ATOM 511 NE ARG A 35 3.686 6.907 -6.467 1.00 0.00 N ATOM 512 CZ ARG A 35 4.484 7.733 -7.156 1.00 0.00 C ATOM 513 NH1 ARG A 35 5.808 7.708 -6.955 1.00 0.00 N ATOM 514 NH2 ARG A 35 3.957 8.586 -8.046 1.00 0.00 N ATOM 0 H ARG A 35 6.797 5.002 -3.816 1.00 0.00 H new ATOM 0 HA ARG A 35 5.981 6.916 -1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.507 4.643 -3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.680 5.808 -2.349 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.761 7.420 -3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.468 7.153 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.051 5.414 -5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.407 5.172 -5.286 1.00 0.00 H new ATOM 0 HE ARG A 35 2.683 6.953 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.209 7.060 -6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.415 8.337 -7.480 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.949 8.606 -8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.564 9.215 -8.571 1.00 0.00 H new ATOM 528 N LEU A 36 5.453 3.824 -0.913 1.00 0.00 N ATOM 529 CA LEU A 36 5.286 3.009 0.278 1.00 0.00 C ATOM 530 C LEU A 36 6.277 3.469 1.349 1.00 0.00 C ATOM 531 O LEU A 36 5.914 3.615 2.515 1.00 0.00 O ATOM 532 CB LEU A 36 5.400 1.523 -0.068 1.00 0.00 C ATOM 533 CG LEU A 36 4.272 0.946 -0.927 1.00 0.00 C ATOM 534 CD1 LEU A 36 4.592 -0.486 -1.361 1.00 0.00 C ATOM 535 CD2 LEU A 36 2.929 1.038 -0.201 1.00 0.00 C ATOM 0 H LEU A 36 5.386 3.312 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 36 4.286 3.140 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.344 1.363 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.448 0.956 0.862 1.00 0.00 H new ATOM 0 HG LEU A 36 4.190 1.547 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.775 -0.873 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.513 -0.492 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.716 -1.114 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.145 0.621 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.980 0.476 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.704 2.082 0.016 1.00 0.00 H new ATOM 547 N ARG A 37 7.510 3.684 0.914 1.00 0.00 N ATOM 548 CA ARG A 37 8.557 4.124 1.821 1.00 0.00 C ATOM 549 C ARG A 37 8.163 5.446 2.484 1.00 0.00 C ATOM 550 O ARG A 37 8.023 5.515 3.704 1.00 0.00 O ATOM 551 CB ARG A 37 9.884 4.308 1.083 1.00 0.00 C ATOM 552 CG ARG A 37 10.807 3.108 1.307 1.00 0.00 C ATOM 553 CD ARG A 37 12.272 3.544 1.353 1.00 0.00 C ATOM 554 NE ARG A 37 13.110 2.449 1.892 1.00 0.00 N ATOM 555 CZ ARG A 37 13.285 2.211 3.199 1.00 0.00 C ATOM 556 NH1 ARG A 37 12.683 2.989 4.109 1.00 0.00 N ATOM 557 NH2 ARG A 37 14.063 1.195 3.597 1.00 0.00 N ATOM 0 H ARG A 37 7.807 3.562 -0.054 1.00 0.00 H new ATOM 0 HA ARG A 37 8.682 3.354 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.697 4.433 0.017 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.374 5.218 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.543 2.611 2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.665 2.381 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.611 3.814 0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.376 4.433 1.975 1.00 0.00 H new ATOM 0 HE ARG A 37 13.584 1.838 1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.091 3.763 3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.817 2.807 5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.522 0.603 2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.196 1.014 4.592 1.00 0.00 H new ATOM 571 N GLU A 38 7.996 6.462 1.651 1.00 0.00 N ATOM 572 CA GLU A 38 7.622 7.778 2.141 1.00 0.00 C ATOM 573 C GLU A 38 6.312 7.698 2.928 1.00 0.00 C ATOM 574 O GLU A 38 6.127 8.421 3.906 1.00 0.00 O ATOM 575 CB GLU A 38 7.509 8.780 0.990 1.00 0.00 C ATOM 576 CG GLU A 38 6.057 8.926 0.530 1.00 0.00 C ATOM 577 CD GLU A 38 5.966 9.784 -0.734 1.00 0.00 C ATOM 578 OE1 GLU A 38 6.467 10.928 -0.680 1.00 0.00 O ATOM 579 OE2 GLU A 38 5.398 9.276 -1.725 1.00 0.00 O ATOM 0 H GLU A 38 8.113 6.401 0.640 1.00 0.00 H new ATOM 0 HA GLU A 38 8.406 8.131 2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.893 9.749 1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.127 8.451 0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.632 7.941 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.464 9.379 1.325 1.00 0.00 H new ATOM 586 N ARG A 39 5.438 6.813 2.473 1.00 0.00 N ATOM 587 CA ARG A 39 4.151 6.629 3.122 1.00 0.00 C ATOM 588 C ARG A 39 4.342 6.042 4.522 1.00 0.00 C ATOM 589 O ARG A 39 3.447 6.124 5.361 1.00 0.00 O ATOM 590 CB ARG A 39 3.249 5.701 2.306 1.00 0.00 C ATOM 591 CG ARG A 39 3.188 6.144 0.843 1.00 0.00 C ATOM 592 CD ARG A 39 1.801 6.685 0.491 1.00 0.00 C ATOM 593 NE ARG A 39 1.862 8.152 0.303 1.00 0.00 N ATOM 594 CZ ARG A 39 1.804 9.040 1.304 1.00 0.00 C ATOM 595 NH1 ARG A 39 1.682 8.617 2.570 1.00 0.00 N ATOM 596 NH2 ARG A 39 1.867 10.353 1.040 1.00 0.00 N ATOM 0 H ARG A 39 5.596 6.215 1.662 1.00 0.00 H new ATOM 0 HA ARG A 39 3.674 7.607 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.624 4.679 2.365 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.245 5.697 2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.939 6.913 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.429 5.302 0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.436 6.208 -0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.094 6.441 1.284 1.00 0.00 H new ATOM 0 HE ARG A 39 1.954 8.509 -0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.633 7.618 2.772 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.638 9.294 3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.959 10.676 0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.823 11.029 1.802 1.00 0.00 H new ATOM 610 N GLY A 40 5.516 5.462 4.731 1.00 0.00 N ATOM 611 CA GLY A 40 5.836 4.861 6.014 1.00 0.00 C ATOM 612 C GLY A 40 5.343 3.414 6.080 1.00 0.00 C ATOM 613 O GLY A 40 5.447 2.766 7.121 1.00 0.00 O ATOM 0 H GLY A 40 6.257 5.396 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.914 4.889 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.379 5.441 6.816 1.00 0.00 H new ATOM 617 N GLU A 41 4.818 2.950 4.956 1.00 0.00 N ATOM 618 CA GLU A 41 4.310 1.591 4.873 1.00 0.00 C ATOM 619 C GLU A 41 5.439 0.623 4.512 1.00 0.00 C ATOM 620 O GLU A 41 6.460 1.032 3.963 1.00 0.00 O ATOM 621 CB GLU A 41 3.163 1.496 3.865 1.00 0.00 C ATOM 622 CG GLU A 41 2.250 2.720 3.956 1.00 0.00 C ATOM 623 CD GLU A 41 0.792 2.303 4.161 1.00 0.00 C ATOM 624 OE1 GLU A 41 0.475 1.150 3.797 1.00 0.00 O ATOM 625 OE2 GLU A 41 0.027 3.146 4.676 1.00 0.00 O ATOM 0 H GLU A 41 4.733 3.491 4.095 1.00 0.00 H new ATOM 0 HA GLU A 41 3.916 1.310 5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.567 1.413 2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.584 0.591 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.570 3.356 4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.338 3.312 3.045 1.00 0.00 H new ATOM 632 N PRO A 42 5.210 -0.676 4.845 1.00 0.00 N ATOM 633 CA PRO A 42 6.195 -1.705 4.562 1.00 0.00 C ATOM 634 C PRO A 42 6.212 -2.054 3.072 1.00 0.00 C ATOM 635 O PRO A 42 5.191 -2.450 2.512 1.00 0.00 O ATOM 636 CB PRO A 42 5.801 -2.880 5.442 1.00 0.00 C ATOM 637 CG PRO A 42 4.352 -2.639 5.835 1.00 0.00 C ATOM 638 CD PRO A 42 4.012 -1.197 5.497 1.00 0.00 C ATOM 0 HA PRO A 42 7.213 -1.383 4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.909 -3.823 4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.440 -2.940 6.323 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.693 -3.322 5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.209 -2.826 6.899 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.146 -1.139 4.838 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.770 -0.627 6.394 1.00 0.00 H new ATOM 646 N ILE A 43 7.383 -1.893 2.473 1.00 0.00 N ATOM 647 CA ILE A 43 7.546 -2.186 1.059 1.00 0.00 C ATOM 648 C ILE A 43 7.038 -3.600 0.773 1.00 0.00 C ATOM 649 O ILE A 43 6.477 -3.859 -0.291 1.00 0.00 O ATOM 650 CB ILE A 43 8.996 -1.955 0.628 1.00 0.00 C ATOM 651 CG1 ILE A 43 9.962 -2.761 1.498 1.00 0.00 C ATOM 652 CG2 ILE A 43 9.336 -0.463 0.625 1.00 0.00 C ATOM 653 CD1 ILE A 43 11.096 -3.351 0.657 1.00 0.00 C ATOM 0 H ILE A 43 8.227 -1.564 2.941 1.00 0.00 H new ATOM 0 HA ILE A 43 6.946 -1.504 0.457 1.00 0.00 H new ATOM 0 HB ILE A 43 9.109 -2.313 -0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.377 -2.120 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.422 -3.563 2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.372 -0.327 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.678 0.059 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.201 -0.057 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.768 -3.919 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.679 -4.010 -0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.649 -2.545 0.176 1.00 0.00 H new ATOM 665 N ARG A 44 7.251 -4.478 1.742 1.00 0.00 N ATOM 666 CA ARG A 44 6.821 -5.860 1.608 1.00 0.00 C ATOM 667 C ARG A 44 6.019 -6.288 2.839 1.00 0.00 C ATOM 668 O ARG A 44 6.429 -6.033 3.970 1.00 0.00 O ATOM 669 CB ARG A 44 8.020 -6.795 1.438 1.00 0.00 C ATOM 670 CG ARG A 44 7.804 -7.756 0.267 1.00 0.00 C ATOM 671 CD ARG A 44 6.810 -8.859 0.638 1.00 0.00 C ATOM 672 NE ARG A 44 7.505 -9.939 1.374 1.00 0.00 N ATOM 673 CZ ARG A 44 8.256 -10.883 0.791 1.00 0.00 C ATOM 674 NH1 ARG A 44 8.413 -10.886 -0.540 1.00 0.00 N ATOM 675 NH2 ARG A 44 8.848 -11.824 1.538 1.00 0.00 N ATOM 0 H ARG A 44 7.716 -4.259 2.623 1.00 0.00 H new ATOM 0 HA ARG A 44 6.193 -5.928 0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.923 -6.208 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.176 -7.363 2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.434 -7.204 -0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.756 -8.202 -0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.009 -8.447 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.347 -9.261 -0.263 1.00 0.00 H new ATOM 0 HE ARG A 44 7.406 -9.966 2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.961 -10.170 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.985 -11.604 -0.984 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.727 -11.822 2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.420 -12.543 1.094 1.00 0.00 H new ATOM 689 N LEU A 45 4.891 -6.931 2.576 1.00 0.00 N ATOM 690 CA LEU A 45 4.028 -7.397 3.648 1.00 0.00 C ATOM 691 C LEU A 45 4.546 -8.741 4.166 1.00 0.00 C ATOM 692 O LEU A 45 5.621 -9.190 3.772 1.00 0.00 O ATOM 693 CB LEU A 45 2.571 -7.438 3.184 1.00 0.00 C ATOM 694 CG LEU A 45 1.859 -6.086 3.091 1.00 0.00 C ATOM 695 CD1 LEU A 45 0.540 -6.107 3.866 1.00 0.00 C ATOM 696 CD2 LEU A 45 2.776 -4.951 3.551 1.00 0.00 C ATOM 0 H LEU A 45 4.555 -7.140 1.636 1.00 0.00 H new ATOM 0 HA LEU A 45 4.052 -6.700 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.536 -7.913 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.010 -8.075 3.868 1.00 0.00 H new ATOM 0 HG LEU A 45 1.615 -5.899 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.054 -5.135 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.113 -6.875 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.738 -6.326 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.246 -4.002 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.072 -5.119 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.664 -4.922 2.920 1.00 0.00 H new ATOM 708 N PHE A 46 3.757 -9.345 5.042 1.00 0.00 N ATOM 709 CA PHE A 46 4.122 -10.628 5.618 1.00 0.00 C ATOM 710 C PHE A 46 3.889 -11.763 4.620 1.00 0.00 C ATOM 711 O PHE A 46 2.941 -12.534 4.760 1.00 0.00 O ATOM 712 CB PHE A 46 3.222 -10.843 6.837 1.00 0.00 C ATOM 713 CG PHE A 46 3.814 -10.324 8.148 1.00 0.00 C ATOM 714 CD1 PHE A 46 5.054 -10.723 8.540 1.00 0.00 C ATOM 715 CD2 PHE A 46 3.101 -9.462 8.922 1.00 0.00 C ATOM 716 CE1 PHE A 46 5.604 -10.241 9.757 1.00 0.00 C ATOM 717 CE2 PHE A 46 3.651 -8.980 10.139 1.00 0.00 C ATOM 718 CZ PHE A 46 4.891 -9.379 10.531 1.00 0.00 C ATOM 0 H PHE A 46 2.866 -8.970 5.367 1.00 0.00 H new ATOM 0 HA PHE A 46 5.178 -10.628 5.887 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.266 -10.349 6.661 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.016 -11.908 6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.620 -11.407 7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.117 -9.144 8.611 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.588 -10.559 10.068 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.085 -8.296 10.754 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.309 -9.012 11.456 1.00 0.00 H new ATOM 728 N GLY A 47 4.771 -11.831 3.634 1.00 0.00 N ATOM 729 CA GLY A 47 4.674 -12.860 2.612 1.00 0.00 C ATOM 730 C GLY A 47 3.894 -12.353 1.397 1.00 0.00 C ATOM 731 O GLY A 47 2.961 -13.009 0.936 1.00 0.00 O ATOM 0 H GLY A 47 5.557 -11.190 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.673 -13.168 2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.181 -13.741 3.023 1.00 0.00 H new ATOM 735 N GLU A 48 4.306 -11.191 0.912 1.00 0.00 N ATOM 736 CA GLU A 48 3.658 -10.589 -0.241 1.00 0.00 C ATOM 737 C GLU A 48 4.534 -10.747 -1.485 1.00 0.00 C ATOM 738 O GLU A 48 5.722 -11.049 -1.378 1.00 0.00 O ATOM 739 CB GLU A 48 3.334 -9.117 0.019 1.00 0.00 C ATOM 740 CG GLU A 48 1.823 -8.896 0.116 1.00 0.00 C ATOM 741 CD GLU A 48 1.472 -7.417 -0.055 1.00 0.00 C ATOM 742 OE1 GLU A 48 2.399 -6.592 0.102 1.00 0.00 O ATOM 743 OE2 GLU A 48 0.286 -7.144 -0.340 1.00 0.00 O ATOM 0 H GLU A 48 5.081 -10.650 1.296 1.00 0.00 H new ATOM 0 HA GLU A 48 2.716 -11.108 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.812 -8.794 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.744 -8.504 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.316 -9.484 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.462 -9.250 1.082 1.00 0.00 H new ATOM 750 N THR A 49 3.914 -10.535 -2.637 1.00 0.00 N ATOM 751 CA THR A 49 4.623 -10.650 -3.900 1.00 0.00 C ATOM 752 C THR A 49 4.667 -9.296 -4.612 1.00 0.00 C ATOM 753 O THR A 49 3.878 -8.404 -4.306 1.00 0.00 O ATOM 754 CB THR A 49 3.947 -11.748 -4.724 1.00 0.00 C ATOM 755 OG1 THR A 49 4.902 -12.062 -5.734 1.00 0.00 O ATOM 756 CG2 THR A 49 2.735 -11.233 -5.503 1.00 0.00 C ATOM 0 H THR A 49 2.929 -10.284 -2.722 1.00 0.00 H new ATOM 0 HA THR A 49 5.664 -10.935 -3.745 1.00 0.00 H new ATOM 0 HB THR A 49 3.636 -12.558 -4.064 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.546 -12.768 -6.313 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.293 -12.052 -6.070 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.998 -10.834 -4.807 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.050 -10.446 -6.188 1.00 0.00 H new ATOM 764 N ASP A 50 5.598 -9.186 -5.548 1.00 0.00 N ATOM 765 CA ASP A 50 5.755 -7.957 -6.306 1.00 0.00 C ATOM 766 C ASP A 50 4.374 -7.393 -6.647 1.00 0.00 C ATOM 767 O ASP A 50 4.098 -6.221 -6.394 1.00 0.00 O ATOM 768 CB ASP A 50 6.500 -8.210 -7.619 1.00 0.00 C ATOM 769 CG ASP A 50 7.980 -7.824 -7.606 1.00 0.00 C ATOM 770 OD1 ASP A 50 8.384 -7.152 -6.633 1.00 0.00 O ATOM 771 OD2 ASP A 50 8.675 -8.211 -8.571 1.00 0.00 O ATOM 0 H ASP A 50 6.251 -9.928 -5.799 1.00 0.00 H new ATOM 0 HA ASP A 50 6.326 -7.256 -5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.418 -9.268 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.002 -7.656 -8.415 1.00 0.00 H new ATOM 776 N TYR A 51 3.543 -8.253 -7.217 1.00 0.00 N ATOM 777 CA TYR A 51 2.198 -7.856 -7.596 1.00 0.00 C ATOM 778 C TYR A 51 1.428 -7.310 -6.392 1.00 0.00 C ATOM 779 O TYR A 51 1.029 -6.146 -6.381 1.00 0.00 O ATOM 780 CB TYR A 51 1.507 -9.126 -8.095 1.00 0.00 C ATOM 781 CG TYR A 51 0.326 -8.866 -9.032 1.00 0.00 C ATOM 782 CD1 TYR A 51 0.482 -8.038 -10.125 1.00 0.00 C ATOM 783 CD2 TYR A 51 -0.895 -9.459 -8.784 1.00 0.00 C ATOM 784 CE1 TYR A 51 -0.630 -7.793 -11.006 1.00 0.00 C ATOM 785 CE2 TYR A 51 -2.007 -9.214 -9.665 1.00 0.00 C ATOM 786 CZ TYR A 51 -1.819 -8.393 -10.733 1.00 0.00 C ATOM 787 OH TYR A 51 -2.869 -8.162 -11.566 1.00 0.00 O ATOM 0 H TYR A 51 3.776 -9.224 -7.426 1.00 0.00 H new ATOM 0 HA TYR A 51 2.229 -7.072 -8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.239 -9.746 -8.613 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.157 -9.698 -7.236 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.438 -7.574 -10.319 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.017 -10.107 -7.929 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.522 -7.147 -11.865 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.968 -9.671 -9.482 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.653 -8.657 -11.249 1.00 0.00 H new ATOM 797 N ASP A 52 1.243 -8.176 -5.406 1.00 0.00 N ATOM 798 CA ASP A 52 0.528 -7.796 -4.200 1.00 0.00 C ATOM 799 C ASP A 52 1.054 -6.447 -3.704 1.00 0.00 C ATOM 800 O ASP A 52 0.291 -5.493 -3.564 1.00 0.00 O ATOM 801 CB ASP A 52 0.740 -8.824 -3.087 1.00 0.00 C ATOM 802 CG ASP A 52 -0.541 -9.324 -2.416 1.00 0.00 C ATOM 803 OD1 ASP A 52 -1.328 -8.457 -1.978 1.00 0.00 O ATOM 804 OD2 ASP A 52 -0.705 -10.562 -2.357 1.00 0.00 O ATOM 0 H ASP A 52 1.576 -9.140 -5.418 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.533 -7.739 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.274 -9.680 -3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.384 -8.385 -2.325 1.00 0.00 H new ATOM 809 N ALA A 53 2.355 -6.412 -3.453 1.00 0.00 N ATOM 810 CA ALA A 53 2.992 -5.196 -2.976 1.00 0.00 C ATOM 811 C ALA A 53 2.622 -4.035 -3.902 1.00 0.00 C ATOM 812 O ALA A 53 2.191 -2.980 -3.439 1.00 0.00 O ATOM 813 CB ALA A 53 4.503 -5.413 -2.887 1.00 0.00 C ATOM 0 H ALA A 53 2.985 -7.206 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 53 2.640 -4.944 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.981 -4.501 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.713 -6.228 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.893 -5.664 -3.873 1.00 0.00 H new ATOM 819 N PHE A 54 2.806 -4.268 -5.193 1.00 0.00 N ATOM 820 CA PHE A 54 2.497 -3.255 -6.188 1.00 0.00 C ATOM 821 C PHE A 54 1.032 -2.824 -6.095 1.00 0.00 C ATOM 822 O PHE A 54 0.738 -1.639 -5.945 1.00 0.00 O ATOM 823 CB PHE A 54 2.746 -3.885 -7.560 1.00 0.00 C ATOM 824 CG PHE A 54 1.953 -3.235 -8.695 1.00 0.00 C ATOM 825 CD1 PHE A 54 2.123 -1.915 -8.976 1.00 0.00 C ATOM 826 CD2 PHE A 54 1.077 -3.978 -9.424 1.00 0.00 C ATOM 827 CE1 PHE A 54 1.387 -1.313 -10.030 1.00 0.00 C ATOM 828 CE2 PHE A 54 0.340 -3.375 -10.478 1.00 0.00 C ATOM 829 CZ PHE A 54 0.511 -2.055 -10.759 1.00 0.00 C ATOM 0 H PHE A 54 3.165 -5.144 -5.573 1.00 0.00 H new ATOM 0 HA PHE A 54 3.118 -2.373 -6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.809 -3.821 -7.790 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.493 -4.944 -7.514 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.818 -1.325 -8.397 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.942 -5.026 -9.201 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.523 -0.265 -10.253 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.356 -3.964 -11.056 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.049 -1.596 -11.561 1.00 0.00 H new ATOM 839 N GLN A 55 0.152 -3.810 -6.189 1.00 0.00 N ATOM 840 CA GLN A 55 -1.276 -3.547 -6.118 1.00 0.00 C ATOM 841 C GLN A 55 -1.616 -2.808 -4.822 1.00 0.00 C ATOM 842 O GLN A 55 -2.484 -1.937 -4.810 1.00 0.00 O ATOM 843 CB GLN A 55 -2.078 -4.845 -6.236 1.00 0.00 C ATOM 844 CG GLN A 55 -1.887 -5.485 -7.612 1.00 0.00 C ATOM 845 CD GLN A 55 -2.942 -4.985 -8.601 1.00 0.00 C ATOM 846 OE1 GLN A 55 -3.971 -5.603 -8.815 1.00 0.00 O ATOM 847 NE2 GLN A 55 -2.630 -3.834 -9.189 1.00 0.00 N ATOM 0 H GLN A 55 0.400 -4.792 -6.314 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.551 -2.910 -6.959 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.763 -5.543 -5.460 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.136 -4.639 -6.070 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.891 -5.254 -7.989 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.951 -6.570 -7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.751 -3.368 -8.964 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.270 -3.417 -9.865 1.00 0.00 H new ATOM 856 N ARG A 56 -0.914 -3.183 -3.763 1.00 0.00 N ATOM 857 CA ARG A 56 -1.131 -2.566 -2.465 1.00 0.00 C ATOM 858 C ARG A 56 -0.967 -1.048 -2.565 1.00 0.00 C ATOM 859 O ARG A 56 -1.893 -0.299 -2.259 1.00 0.00 O ATOM 860 CB ARG A 56 -0.149 -3.111 -1.426 1.00 0.00 C ATOM 861 CG ARG A 56 -0.704 -2.949 -0.009 1.00 0.00 C ATOM 862 CD ARG A 56 -0.525 -4.234 0.801 1.00 0.00 C ATOM 863 NE ARG A 56 -1.505 -5.251 0.359 1.00 0.00 N ATOM 864 CZ ARG A 56 -2.776 -5.304 0.783 1.00 0.00 C ATOM 865 NH1 ARG A 56 -3.227 -4.398 1.661 1.00 0.00 N ATOM 866 NH2 ARG A 56 -3.594 -6.262 0.329 1.00 0.00 N ATOM 0 H ARG A 56 -0.195 -3.906 -3.777 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.147 -2.805 -2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.049 -4.164 -1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.803 -2.587 -1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.196 -2.125 0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.762 -2.689 -0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.489 -4.615 0.675 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.658 -4.026 1.863 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.194 -5.956 -0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.604 -3.668 2.007 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.194 -4.438 1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.250 -6.952 -0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.561 -6.302 0.652 1.00 0.00 H new ATOM 880 N LEU A 57 0.218 -0.640 -2.995 1.00 0.00 N ATOM 881 CA LEU A 57 0.516 0.775 -3.139 1.00 0.00 C ATOM 882 C LEU A 57 -0.436 1.389 -4.167 1.00 0.00 C ATOM 883 O LEU A 57 -1.062 2.414 -3.904 1.00 0.00 O ATOM 884 CB LEU A 57 1.995 0.981 -3.469 1.00 0.00 C ATOM 885 CG LEU A 57 2.411 2.410 -3.824 1.00 0.00 C ATOM 886 CD1 LEU A 57 2.120 2.717 -5.294 1.00 0.00 C ATOM 887 CD2 LEU A 57 1.749 3.422 -2.886 1.00 0.00 C ATOM 0 H LEU A 57 0.983 -1.265 -3.248 1.00 0.00 H new ATOM 0 HA LEU A 57 0.349 1.298 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.586 0.654 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.254 0.330 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 57 3.489 2.497 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.425 3.739 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.675 2.024 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.052 2.607 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.061 4.430 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.665 3.342 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.049 3.216 -1.858 1.00 0.00 H new ATOM 899 N ARG A 58 -0.513 0.737 -5.318 1.00 0.00 N ATOM 900 CA ARG A 58 -1.378 1.206 -6.388 1.00 0.00 C ATOM 901 C ARG A 58 -2.755 1.575 -5.834 1.00 0.00 C ATOM 902 O ARG A 58 -3.468 2.387 -6.422 1.00 0.00 O ATOM 903 CB ARG A 58 -1.541 0.139 -7.472 1.00 0.00 C ATOM 904 CG ARG A 58 -1.194 0.702 -8.852 1.00 0.00 C ATOM 905 CD ARG A 58 -2.458 0.949 -9.677 1.00 0.00 C ATOM 906 NE ARG A 58 -2.923 -0.318 -10.283 1.00 0.00 N ATOM 907 CZ ARG A 58 -3.845 -0.394 -11.253 1.00 0.00 C ATOM 908 NH1 ARG A 58 -4.407 0.725 -11.731 1.00 0.00 N ATOM 909 NH2 ARG A 58 -4.205 -1.587 -11.743 1.00 0.00 N ATOM 0 H ARG A 58 0.009 -0.112 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.912 2.087 -6.829 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.897 -0.712 -7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.567 -0.230 -7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.641 1.634 -8.740 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.542 0.006 -9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.240 1.367 -9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.255 1.682 -10.458 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.516 -1.189 -9.941 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.133 1.633 -11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.109 0.668 -12.469 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.778 -2.438 -11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.907 -1.645 -12.481 1.00 0.00 H new ATOM 923 N LYS A 59 -3.089 0.961 -4.708 1.00 0.00 N ATOM 924 CA LYS A 59 -4.368 1.215 -4.068 1.00 0.00 C ATOM 925 C LYS A 59 -4.206 2.337 -3.040 1.00 0.00 C ATOM 926 O LYS A 59 -5.113 3.146 -2.850 1.00 0.00 O ATOM 927 CB LYS A 59 -4.941 -0.078 -3.483 1.00 0.00 C ATOM 928 CG LYS A 59 -6.050 0.222 -2.473 1.00 0.00 C ATOM 929 CD LYS A 59 -6.782 -1.059 -2.067 1.00 0.00 C ATOM 930 CE LYS A 59 -6.662 -1.306 -0.562 1.00 0.00 C ATOM 931 NZ LYS A 59 -6.327 -2.723 -0.295 1.00 0.00 N ATOM 0 H LYS A 59 -2.496 0.288 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.099 1.557 -4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.334 -0.702 -4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.147 -0.646 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.624 0.697 -1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.759 0.929 -2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.834 -0.984 -2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.368 -1.907 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.893 -0.659 -0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.600 -1.049 -0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.249 -2.874 0.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.075 -3.335 -0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.421 -2.957 -0.749 1.00 0.00 H new ATOM 945 N ILE A 60 -3.044 2.348 -2.403 1.00 0.00 N ATOM 946 CA ILE A 60 -2.752 3.357 -1.399 1.00 0.00 C ATOM 947 C ILE A 60 -2.783 4.742 -2.049 1.00 0.00 C ATOM 948 O ILE A 60 -3.374 5.673 -1.505 1.00 0.00 O ATOM 949 CB ILE A 60 -1.433 3.041 -0.690 1.00 0.00 C ATOM 950 CG1 ILE A 60 -1.565 1.789 0.180 1.00 0.00 C ATOM 951 CG2 ILE A 60 -0.938 4.246 0.111 1.00 0.00 C ATOM 952 CD1 ILE A 60 -0.230 1.436 0.839 1.00 0.00 C ATOM 0 H ILE A 60 -2.294 1.675 -2.563 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.516 3.352 -0.621 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.680 2.828 -1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.321 1.953 0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.906 0.952 -0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.001 3.994 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.780 5.089 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.682 4.515 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.352 0.543 1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.518 1.249 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.096 2.265 1.467 1.00 0.00 H new ATOM 964 N GLU A 61 -2.140 4.833 -3.204 1.00 0.00 N ATOM 965 CA GLU A 61 -2.088 6.088 -3.934 1.00 0.00 C ATOM 966 C GLU A 61 -3.502 6.618 -4.182 1.00 0.00 C ATOM 967 O GLU A 61 -3.732 7.825 -4.145 1.00 0.00 O ATOM 968 CB GLU A 61 -1.324 5.926 -5.250 1.00 0.00 C ATOM 969 CG GLU A 61 0.142 5.572 -4.993 1.00 0.00 C ATOM 970 CD GLU A 61 0.933 6.802 -4.542 1.00 0.00 C ATOM 971 OE1 GLU A 61 1.314 7.589 -5.435 1.00 0.00 O ATOM 972 OE2 GLU A 61 1.137 6.927 -3.316 1.00 0.00 O ATOM 0 H GLU A 61 -1.651 4.058 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.550 6.816 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.790 5.146 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.383 6.850 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.204 4.796 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.585 5.163 -5.901 1.00 0.00 H new ATOM 979 N ILE A 62 -4.412 5.688 -4.431 1.00 0.00 N ATOM 980 CA ILE A 62 -5.797 6.046 -4.685 1.00 0.00 C ATOM 981 C ILE A 62 -6.392 6.690 -3.431 1.00 0.00 C ATOM 982 O ILE A 62 -7.012 7.750 -3.508 1.00 0.00 O ATOM 983 CB ILE A 62 -6.582 4.830 -5.183 1.00 0.00 C ATOM 984 CG1 ILE A 62 -5.911 4.208 -6.409 1.00 0.00 C ATOM 985 CG2 ILE A 62 -8.044 5.193 -5.452 1.00 0.00 C ATOM 986 CD1 ILE A 62 -6.434 2.793 -6.662 1.00 0.00 C ATOM 0 H ILE A 62 -4.217 4.687 -4.462 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.859 6.786 -5.483 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.577 4.076 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.097 4.830 -7.284 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.831 4.179 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.579 4.311 -5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.505 5.553 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.091 5.974 -6.211 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.941 2.374 -7.539 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.225 2.167 -5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.510 2.828 -6.833 1.00 0.00 H new ATOM 998 N LEU A 63 -6.182 6.024 -2.306 1.00 0.00 N ATOM 999 CA LEU A 63 -6.689 6.518 -1.037 1.00 0.00 C ATOM 1000 C LEU A 63 -5.940 7.797 -0.657 1.00 0.00 C ATOM 1001 O LEU A 63 -6.535 8.871 -0.585 1.00 0.00 O ATOM 1002 CB LEU A 63 -6.620 5.425 0.031 1.00 0.00 C ATOM 1003 CG LEU A 63 -6.272 5.891 1.446 1.00 0.00 C ATOM 1004 CD1 LEU A 63 -7.058 7.149 1.817 1.00 0.00 C ATOM 1005 CD2 LEU A 63 -6.480 4.764 2.460 1.00 0.00 C ATOM 0 H LEU A 63 -5.667 5.145 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.744 6.779 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.583 4.916 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.880 4.687 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.215 6.154 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.792 7.459 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.817 7.949 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.126 6.937 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.226 5.121 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.523 4.447 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.840 3.920 2.202 1.00 0.00 H new ATOM 1017 N THR A 64 -4.645 7.640 -0.424 1.00 0.00 N ATOM 1018 CA THR A 64 -3.809 8.769 -0.054 1.00 0.00 C ATOM 1019 C THR A 64 -4.219 10.017 -0.838 1.00 0.00 C ATOM 1020 O THR A 64 -4.634 9.921 -1.992 1.00 0.00 O ATOM 1021 CB THR A 64 -2.349 8.367 -0.271 1.00 0.00 C ATOM 1022 OG1 THR A 64 -2.043 7.547 0.853 1.00 0.00 O ATOM 1023 CG2 THR A 64 -1.390 9.552 -0.140 1.00 0.00 C ATOM 0 H THR A 64 -4.154 6.748 -0.484 1.00 0.00 H new ATOM 0 HA THR A 64 -3.937 9.028 0.997 1.00 0.00 H new ATOM 0 HB THR A 64 -2.239 7.919 -1.258 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.114 7.241 0.791 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.367 9.212 -0.303 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.643 10.309 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.475 9.980 0.859 1.00 0.00 H new ATOM 1031 N PRO A 65 -4.086 11.189 -0.162 1.00 0.00 N ATOM 1032 CA PRO A 65 -4.438 12.455 -0.783 1.00 0.00 C ATOM 1033 C PRO A 65 -3.377 12.880 -1.801 1.00 0.00 C ATOM 1034 O PRO A 65 -3.686 13.099 -2.971 1.00 0.00 O ATOM 1035 CB PRO A 65 -4.580 13.434 0.371 1.00 0.00 C ATOM 1036 CG PRO A 65 -3.853 12.800 1.546 1.00 0.00 C ATOM 1037 CD PRO A 65 -3.598 11.341 1.205 1.00 0.00 C ATOM 0 HA PRO A 65 -5.363 12.399 -1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.145 14.401 0.119 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.629 13.608 0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.913 13.317 1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.451 12.881 2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.538 11.097 1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.125 10.676 1.890 1.00 0.00 H new ATOM 1045 N GLU A 66 -2.148 12.985 -1.317 1.00 0.00 N ATOM 1046 CA GLU A 66 -1.040 13.380 -2.170 1.00 0.00 C ATOM 1047 C GLU A 66 -0.879 12.390 -3.325 1.00 0.00 C ATOM 1048 O GLU A 66 -0.510 11.236 -3.111 1.00 0.00 O ATOM 1049 CB GLU A 66 0.256 13.498 -1.365 1.00 0.00 C ATOM 1050 CG GLU A 66 0.843 14.907 -1.475 1.00 0.00 C ATOM 1051 CD GLU A 66 2.319 14.919 -1.072 1.00 0.00 C ATOM 1052 OE1 GLU A 66 3.152 14.629 -1.958 1.00 0.00 O ATOM 1053 OE2 GLU A 66 2.582 15.217 0.113 1.00 0.00 O ATOM 0 H GLU A 66 -1.895 12.804 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.261 14.362 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.061 13.262 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.981 12.769 -1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.739 15.270 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.282 15.589 -0.836 1.00 0.00 H new ATOM 1060 N VAL A 67 -1.165 12.876 -4.524 1.00 0.00 N ATOM 1061 CA VAL A 67 -1.056 12.048 -5.713 1.00 0.00 C ATOM 1062 C VAL A 67 -0.401 12.857 -6.834 1.00 0.00 C ATOM 1063 O VAL A 67 -1.090 13.502 -7.623 1.00 0.00 O ATOM 1064 CB VAL A 67 -2.433 11.501 -6.096 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -2.379 10.777 -7.443 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -2.982 10.584 -5.002 1.00 0.00 C ATOM 0 H VAL A 67 -1.472 13.833 -4.698 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.419 11.184 -5.521 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.114 12.346 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.370 10.398 -7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.051 11.472 -8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.677 9.945 -7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.961 10.209 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.302 9.745 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.075 11.143 -4.071 1.00 0.00 H new ATOM 1076 N ASN A 68 0.922 12.797 -6.869 1.00 0.00 N ATOM 1077 CA ASN A 68 1.678 13.515 -7.881 1.00 0.00 C ATOM 1078 C ASN A 68 1.707 12.692 -9.170 1.00 0.00 C ATOM 1079 O ASN A 68 2.494 11.755 -9.294 1.00 0.00 O ATOM 1080 CB ASN A 68 3.122 13.742 -7.431 1.00 0.00 C ATOM 1081 CG ASN A 68 3.724 14.969 -8.119 1.00 0.00 C ATOM 1082 OD1 ASN A 68 4.086 14.945 -9.284 1.00 0.00 O ATOM 1083 ND2 ASN A 68 3.811 16.040 -7.335 1.00 0.00 N ATOM 0 H ASN A 68 1.490 12.262 -6.212 1.00 0.00 H new ATOM 0 HA ASN A 68 1.195 14.479 -8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.153 13.875 -6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.721 12.861 -7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.199 16.909 -7.701 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.489 15.992 -6.368 1.00 0.00 H new ATOM 1090 N LYS A 69 0.840 13.071 -10.097 1.00 0.00 N ATOM 1091 CA LYS A 69 0.757 12.380 -11.372 1.00 0.00 C ATOM 1092 C LYS A 69 1.484 13.199 -12.440 1.00 0.00 C ATOM 1093 O LYS A 69 1.485 14.428 -12.391 1.00 0.00 O ATOM 1094 CB LYS A 69 -0.700 12.071 -11.720 1.00 0.00 C ATOM 1095 CG LYS A 69 -0.799 11.312 -13.045 1.00 0.00 C ATOM 1096 CD LYS A 69 -1.903 10.255 -12.991 1.00 0.00 C ATOM 1097 CE LYS A 69 -3.101 10.669 -13.848 1.00 0.00 C ATOM 1098 NZ LYS A 69 -2.800 10.480 -15.285 1.00 0.00 N ATOM 0 H LYS A 69 0.188 13.848 -9.990 1.00 0.00 H new ATOM 0 HA LYS A 69 1.259 11.414 -11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.150 11.479 -10.923 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.267 13.000 -11.786 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.001 12.013 -13.855 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.156 10.835 -13.267 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.514 9.299 -13.341 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.222 10.110 -11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.974 10.078 -13.572 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.349 11.713 -13.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.623 10.766 -15.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.980 11.063 -15.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.585 9.479 -15.466 1.00 0.00 H new ATOM 1112 N GLY A 70 2.086 12.485 -13.380 1.00 0.00 N ATOM 1113 CA GLY A 70 2.815 13.131 -14.458 1.00 0.00 C ATOM 1114 C GLY A 70 1.900 13.403 -15.654 1.00 0.00 C ATOM 1115 O GLY A 70 1.048 12.581 -15.987 1.00 0.00 O ATOM 0 H GLY A 70 2.084 11.466 -13.417 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.242 14.068 -14.102 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.647 12.499 -14.769 1.00 0.00 H new ATOM 1119 N SER A 71 2.107 14.560 -16.266 1.00 0.00 N ATOM 1120 CA SER A 71 1.310 14.950 -17.417 1.00 0.00 C ATOM 1121 C SER A 71 -0.156 15.108 -17.009 1.00 0.00 C ATOM 1122 O SER A 71 -0.546 14.709 -15.913 1.00 0.00 O ATOM 1123 CB SER A 71 1.440 13.929 -18.548 1.00 0.00 C ATOM 1124 OG SER A 71 1.957 14.515 -19.740 1.00 0.00 O ATOM 0 H SER A 71 2.815 15.240 -15.987 1.00 0.00 H new ATOM 0 HA SER A 71 1.683 15.906 -17.783 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.094 13.117 -18.230 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.464 13.490 -18.754 1.00 0.00 H new ATOM 0 HG SER A 71 2.027 13.830 -20.438 1.00 0.00 H new ATOM 1130 N GLY A 72 -0.929 15.692 -17.914 1.00 0.00 N ATOM 1131 CA GLY A 72 -2.343 15.907 -17.662 1.00 0.00 C ATOM 1132 C GLY A 72 -3.198 14.905 -18.441 1.00 0.00 C ATOM 1133 O GLY A 72 -2.712 13.848 -18.840 1.00 0.00 O ATOM 0 H GLY A 72 -0.602 16.022 -18.822 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.545 15.810 -16.595 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.616 16.923 -17.947 1.00 0.00 H new ATOM 1137 N PRO A 73 -4.489 15.283 -18.640 1.00 0.00 N ATOM 1138 CA PRO A 73 -5.415 14.429 -19.364 1.00 0.00 C ATOM 1139 C PRO A 73 -5.136 14.468 -20.867 1.00 0.00 C ATOM 1140 O PRO A 73 -4.599 15.450 -21.377 1.00 0.00 O ATOM 1141 CB PRO A 73 -6.796 14.951 -19.002 1.00 0.00 C ATOM 1142 CG PRO A 73 -6.583 16.357 -18.465 1.00 0.00 C ATOM 1143 CD PRO A 73 -5.099 16.528 -18.182 1.00 0.00 C ATOM 0 HA PRO A 73 -5.318 13.378 -19.093 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.451 14.961 -19.874 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.270 14.315 -18.254 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.921 17.098 -19.190 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.165 16.511 -17.556 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.691 17.388 -18.713 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.915 16.692 -17.120 1.00 0.00 H new ATOM 1151 N SER A 74 -5.514 13.388 -21.535 1.00 0.00 N ATOM 1152 CA SER A 74 -5.311 13.286 -22.970 1.00 0.00 C ATOM 1153 C SER A 74 -3.820 13.389 -23.297 1.00 0.00 C ATOM 1154 O SER A 74 -3.250 14.479 -23.277 1.00 0.00 O ATOM 1155 CB SER A 74 -6.094 14.370 -23.715 1.00 0.00 C ATOM 1156 OG SER A 74 -7.266 13.850 -24.336 1.00 0.00 O ATOM 0 H SER A 74 -5.960 12.576 -21.109 1.00 0.00 H new ATOM 0 HA SER A 74 -5.682 12.316 -23.300 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.373 15.160 -23.017 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.454 14.824 -24.471 1.00 0.00 H new ATOM 0 HG SER A 74 -7.739 14.573 -24.799 1.00 0.00 H new ATOM 1162 N SER A 75 -3.230 12.239 -23.589 1.00 0.00 N ATOM 1163 CA SER A 75 -1.816 12.186 -23.919 1.00 0.00 C ATOM 1164 C SER A 75 -1.637 11.873 -25.406 1.00 0.00 C ATOM 1165 O SER A 75 -1.014 12.642 -26.136 1.00 0.00 O ATOM 1166 CB SER A 75 -1.090 11.144 -23.066 1.00 0.00 C ATOM 1167 OG SER A 75 -0.920 11.580 -21.720 1.00 0.00 O ATOM 0 H SER A 75 -3.706 11.337 -23.604 1.00 0.00 H new ATOM 0 HA SER A 75 -1.378 13.161 -23.704 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.653 10.211 -23.076 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.115 10.932 -23.504 1.00 0.00 H new ATOM 0 HG SER A 75 -0.454 10.886 -21.208 1.00 0.00 H new ATOM 1173 N GLY A 76 -2.196 10.742 -25.811 1.00 0.00 N ATOM 1174 CA GLY A 76 -2.105 10.317 -27.198 1.00 0.00 C ATOM 1175 C GLY A 76 -0.726 9.730 -27.503 1.00 0.00 C ATOM 1176 O GLY A 76 -0.323 9.652 -28.663 1.00 0.00 O ATOM 0 H GLY A 76 -2.713 10.107 -25.203 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.874 9.573 -27.405 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.296 11.165 -27.855 1.00 0.00 H new TER 1180 GLY A 76