USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 535 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 36 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.11) USER MOD Set 1.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 CYS SG : rot 180:sc= 0.00423 USER MOD Set 2.2: A 9 SER OG : rot 69:sc= 0.00541 USER MOD Single : A 1 GLY N :NH3+ 150:sc= 0.02 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -140:sc= 1.21 USER MOD Single : A 19 CYS SG : rot -163:sc= -1.82 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -155:sc= 1.17 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -86:sc= 1.26 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.00052) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 33 THR OG1 : rot 150:sc= 0.0925 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0754 X(o=-0.075,f=0.01) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.05 X(o=-1.1,f=-1.5) USER MOD Single : A 56 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.57) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc=-0.00536 X(o=-0.0054,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.528 K(o=0.53,f=-3.7!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.324 -8.253 2.328 1.00 0.00 N ATOM 2 CA GLY A 1 17.048 -8.067 1.063 1.00 0.00 C ATOM 3 C GLY A 1 18.425 -7.471 1.302 1.00 0.00 C ATOM 4 O GLY A 1 18.544 -6.573 2.135 1.00 0.00 O ATOM 0 H1 GLY A 1 15.302 -8.162 2.160 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.529 -9.199 2.709 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.628 -7.531 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.147 -9.025 0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.475 -7.413 0.405 1.00 0.00 H new ATOM 8 N PRO A 2 19.474 -7.908 0.574 1.00 0.00 N ATOM 9 CA PRO A 2 20.824 -7.374 0.731 1.00 0.00 C ATOM 10 C PRO A 2 20.798 -5.893 0.360 1.00 0.00 C ATOM 11 O PRO A 2 21.147 -5.038 1.174 1.00 0.00 O ATOM 12 CB PRO A 2 21.730 -8.238 -0.151 1.00 0.00 C ATOM 13 CG PRO A 2 20.782 -8.850 -1.184 1.00 0.00 C ATOM 14 CD PRO A 2 19.458 -8.964 -0.427 1.00 0.00 C ATOM 0 HA PRO A 2 21.209 -7.418 1.750 1.00 0.00 H new ATOM 0 HB2 PRO A 2 22.507 -7.641 -0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 2 22.234 -9.009 0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 2 20.687 -8.217 -2.067 1.00 0.00 H new ATOM 0 HG3 PRO A 2 21.134 -9.823 -1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.611 -8.847 -1.103 1.00 0.00 H new ATOM 0 HD3 PRO A 2 19.360 -9.943 0.041 1.00 0.00 H new ATOM 22 N LEU A 3 20.415 -5.567 -0.873 1.00 0.00 N ATOM 23 CA LEU A 3 20.299 -4.188 -1.325 1.00 0.00 C ATOM 24 C LEU A 3 18.831 -3.829 -1.098 1.00 0.00 C ATOM 25 O LEU A 3 17.958 -4.705 -1.183 1.00 0.00 O ATOM 26 CB LEU A 3 20.633 -4.025 -2.816 1.00 0.00 C ATOM 27 CG LEU A 3 22.083 -4.260 -3.280 1.00 0.00 C ATOM 28 CD1 LEU A 3 23.091 -3.424 -2.488 1.00 0.00 C ATOM 29 CD2 LEU A 3 22.489 -5.737 -3.251 1.00 0.00 C ATOM 0 H LEU A 3 20.176 -6.256 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 3 20.998 -3.549 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 3 19.993 -4.708 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 3 20.352 -3.013 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 3 22.105 -3.931 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 3 24.098 -3.626 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 3 22.865 -2.365 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 3 23.029 -3.685 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 3 23.521 -5.837 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 3 22.401 -6.119 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 3 21.834 -6.307 -3.910 1.00 0.00 H new ATOM 41 N GLY A 4 18.556 -2.553 -0.852 1.00 0.00 N ATOM 42 CA GLY A 4 17.222 -2.033 -0.609 1.00 0.00 C ATOM 43 C GLY A 4 17.198 -0.933 0.447 1.00 0.00 C ATOM 44 O GLY A 4 16.258 -0.885 1.241 1.00 0.00 O ATOM 0 H GLY A 4 19.278 -1.834 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.814 -1.644 -1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.572 -2.848 -0.292 1.00 0.00 H new ATOM 48 N SER A 5 18.203 -0.052 0.477 1.00 0.00 N ATOM 49 CA SER A 5 18.279 1.035 1.453 1.00 0.00 C ATOM 50 C SER A 5 17.118 2.037 1.363 1.00 0.00 C ATOM 51 O SER A 5 16.896 2.768 2.331 1.00 0.00 O ATOM 52 CB SER A 5 19.597 1.798 1.277 1.00 0.00 C ATOM 53 OG SER A 5 20.713 0.927 1.251 1.00 0.00 O ATOM 0 H SER A 5 18.986 -0.074 -0.176 1.00 0.00 H new ATOM 0 HA SER A 5 18.218 0.561 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.563 2.372 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.714 2.513 2.091 1.00 0.00 H new ATOM 0 HG SER A 5 21.534 1.450 1.136 1.00 0.00 H new ATOM 59 N THR A 6 16.390 2.084 0.243 1.00 0.00 N ATOM 60 CA THR A 6 15.274 2.996 0.036 1.00 0.00 C ATOM 61 C THR A 6 13.949 2.229 0.034 1.00 0.00 C ATOM 62 O THR A 6 13.924 0.993 0.020 1.00 0.00 O ATOM 63 CB THR A 6 15.512 3.808 -1.247 1.00 0.00 C ATOM 64 OG1 THR A 6 15.536 2.975 -2.393 1.00 0.00 O ATOM 65 CG2 THR A 6 16.820 4.601 -1.198 1.00 0.00 C ATOM 0 H THR A 6 16.568 1.476 -0.556 1.00 0.00 H new ATOM 0 HA THR A 6 15.208 3.707 0.860 1.00 0.00 H new ATOM 0 HB THR A 6 14.677 4.505 -1.315 1.00 0.00 H new ATOM 0 HG1 THR A 6 15.687 3.522 -3.192 1.00 0.00 H new ATOM 0 HG21 THR A 6 16.943 5.158 -2.127 1.00 0.00 H new ATOM 0 HG22 THR A 6 16.793 5.296 -0.359 1.00 0.00 H new ATOM 0 HG23 THR A 6 17.657 3.914 -1.073 1.00 0.00 H new ATOM 73 N ASP A 7 12.839 2.962 0.039 1.00 0.00 N ATOM 74 CA ASP A 7 11.489 2.420 0.056 1.00 0.00 C ATOM 75 C ASP A 7 10.973 2.352 -1.368 1.00 0.00 C ATOM 76 O ASP A 7 10.967 3.363 -2.080 1.00 0.00 O ATOM 77 CB ASP A 7 10.602 3.301 0.934 1.00 0.00 C ATOM 78 CG ASP A 7 10.993 3.162 2.395 1.00 0.00 C ATOM 79 OD1 ASP A 7 11.149 4.213 3.052 1.00 0.00 O ATOM 80 OD2 ASP A 7 11.164 2.016 2.870 1.00 0.00 O ATOM 0 H ASP A 7 12.858 3.982 0.031 1.00 0.00 H new ATOM 0 HA ASP A 7 11.481 1.414 0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.694 4.342 0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.557 3.020 0.803 1.00 0.00 H new ATOM 85 N CYS A 8 10.578 1.165 -1.820 1.00 0.00 N ATOM 86 CA CYS A 8 10.071 0.943 -3.165 1.00 0.00 C ATOM 87 C CYS A 8 8.955 -0.099 -3.245 1.00 0.00 C ATOM 88 O CYS A 8 8.391 -0.259 -4.328 1.00 0.00 O ATOM 89 CB CYS A 8 11.242 0.516 -4.069 1.00 0.00 C ATOM 90 SG CYS A 8 12.015 -1.019 -3.464 1.00 0.00 S ATOM 0 H CYS A 8 10.603 0.319 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 8 9.629 1.882 -3.497 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.884 0.369 -5.088 1.00 0.00 H new ATOM 0 HB3 CYS A 8 11.986 1.312 -4.105 1.00 0.00 H new ATOM 0 HG CYS A 8 12.996 -1.350 -4.250 1.00 0.00 H new ATOM 96 N SER A 9 8.619 -0.828 -2.176 1.00 0.00 N ATOM 97 CA SER A 9 7.583 -1.856 -2.208 1.00 0.00 C ATOM 98 C SER A 9 6.757 -1.800 -0.922 1.00 0.00 C ATOM 99 O SER A 9 7.267 -1.424 0.138 1.00 0.00 O ATOM 100 CB SER A 9 8.258 -3.214 -2.433 1.00 0.00 C ATOM 101 OG SER A 9 8.998 -3.230 -3.646 1.00 0.00 O ATOM 0 H SER A 9 9.061 -0.719 -1.263 1.00 0.00 H new ATOM 0 HA SER A 9 6.884 -1.690 -3.028 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.922 -3.435 -1.597 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.502 -3.999 -2.456 1.00 0.00 H new ATOM 0 HG SER A 9 9.777 -2.641 -3.562 1.00 0.00 H new ATOM 107 N ILE A 10 5.475 -2.180 -1.013 1.00 0.00 N ATOM 108 CA ILE A 10 4.504 -2.168 0.086 1.00 0.00 C ATOM 109 C ILE A 10 5.046 -2.833 1.333 1.00 0.00 C ATOM 110 O ILE A 10 4.642 -2.433 2.414 1.00 0.00 O ATOM 111 CB ILE A 10 3.142 -2.772 -0.329 1.00 0.00 C ATOM 112 CG1 ILE A 10 2.529 -1.934 -1.454 1.00 0.00 C ATOM 113 CG2 ILE A 10 2.127 -2.839 0.813 1.00 0.00 C ATOM 114 CD1 ILE A 10 1.191 -2.474 -1.978 1.00 0.00 C ATOM 0 H ILE A 10 5.072 -2.517 -1.888 1.00 0.00 H new ATOM 0 HA ILE A 10 4.329 -1.120 0.328 1.00 0.00 H new ATOM 0 HB ILE A 10 3.351 -3.793 -0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.382 -0.915 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.237 -1.882 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.196 -3.273 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.525 -3.458 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.935 -1.834 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.823 -1.825 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.333 -3.481 -2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.465 -2.500 -1.165 1.00 0.00 H new ATOM 126 N VAL A 11 5.965 -3.781 1.219 1.00 0.00 N ATOM 127 CA VAL A 11 6.530 -4.448 2.385 1.00 0.00 C ATOM 128 C VAL A 11 7.001 -3.460 3.459 1.00 0.00 C ATOM 129 O VAL A 11 6.675 -3.636 4.634 1.00 0.00 O ATOM 130 CB VAL A 11 7.657 -5.400 1.964 1.00 0.00 C ATOM 131 CG1 VAL A 11 7.018 -6.700 1.479 1.00 0.00 C ATOM 132 CG2 VAL A 11 8.586 -4.871 0.858 1.00 0.00 C ATOM 0 H VAL A 11 6.337 -4.107 0.327 1.00 0.00 H new ATOM 0 HA VAL A 11 5.733 -5.035 2.841 1.00 0.00 H new ATOM 0 HB VAL A 11 8.289 -5.531 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.798 -7.397 1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.434 -7.142 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.365 -6.491 0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.347 -5.618 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.003 -4.666 -0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.067 -3.953 1.195 1.00 0.00 H new ATOM 142 N SER A 12 7.739 -2.421 3.069 1.00 0.00 N ATOM 143 CA SER A 12 8.237 -1.436 4.021 1.00 0.00 C ATOM 144 C SER A 12 7.075 -0.601 4.575 1.00 0.00 C ATOM 145 O SER A 12 7.004 -0.311 5.776 1.00 0.00 O ATOM 146 CB SER A 12 9.272 -0.567 3.299 1.00 0.00 C ATOM 147 OG SER A 12 10.100 0.137 4.195 1.00 0.00 O ATOM 0 H SER A 12 8.004 -2.242 2.100 1.00 0.00 H new ATOM 0 HA SER A 12 8.710 -1.923 4.874 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.888 -1.197 2.658 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.758 0.142 2.650 1.00 0.00 H new ATOM 0 HG SER A 12 10.254 1.043 3.855 1.00 0.00 H new ATOM 153 N PHE A 13 6.136 -0.225 3.700 1.00 0.00 N ATOM 154 CA PHE A 13 5.000 0.581 4.110 1.00 0.00 C ATOM 155 C PHE A 13 4.154 -0.191 5.130 1.00 0.00 C ATOM 156 O PHE A 13 3.790 0.325 6.181 1.00 0.00 O ATOM 157 CB PHE A 13 4.226 1.002 2.855 1.00 0.00 C ATOM 158 CG PHE A 13 2.927 1.730 3.144 1.00 0.00 C ATOM 159 CD1 PHE A 13 1.751 1.361 2.463 1.00 0.00 C ATOM 160 CD2 PHE A 13 2.883 2.760 4.109 1.00 0.00 C ATOM 161 CE1 PHE A 13 0.536 1.989 2.782 1.00 0.00 C ATOM 162 CE2 PHE A 13 1.659 3.370 4.430 1.00 0.00 C ATOM 163 CZ PHE A 13 0.482 2.961 3.790 1.00 0.00 C ATOM 0 H PHE A 13 6.147 -0.469 2.710 1.00 0.00 H new ATOM 0 HA PHE A 13 5.318 1.492 4.616 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.863 1.645 2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.008 0.115 2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.783 0.598 1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.790 3.079 4.600 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.363 1.721 2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.625 4.155 5.171 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.466 3.394 4.073 1.00 0.00 H new ATOM 173 N PHE A 14 3.862 -1.457 4.842 1.00 0.00 N ATOM 174 CA PHE A 14 3.084 -2.344 5.687 1.00 0.00 C ATOM 175 C PHE A 14 3.779 -2.558 7.021 1.00 0.00 C ATOM 176 O PHE A 14 3.091 -2.594 8.043 1.00 0.00 O ATOM 177 CB PHE A 14 2.804 -3.654 4.945 1.00 0.00 C ATOM 178 CG PHE A 14 1.540 -3.651 4.095 1.00 0.00 C ATOM 179 CD1 PHE A 14 0.981 -4.877 3.702 1.00 0.00 C ATOM 180 CD2 PHE A 14 0.912 -2.457 3.686 1.00 0.00 C ATOM 181 CE1 PHE A 14 -0.169 -4.928 2.902 1.00 0.00 C ATOM 182 CE2 PHE A 14 -0.249 -2.502 2.898 1.00 0.00 C ATOM 183 CZ PHE A 14 -0.784 -3.738 2.494 1.00 0.00 C ATOM 0 H PHE A 14 4.175 -1.905 3.981 1.00 0.00 H new ATOM 0 HA PHE A 14 2.121 -1.886 5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.656 -3.881 4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.732 -4.460 5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.445 -5.798 4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.326 -1.504 3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.579 -5.881 2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.733 -1.583 2.601 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.666 -3.769 1.871 1.00 0.00 H new ATOM 193 N ALA A 15 5.114 -2.649 7.014 1.00 0.00 N ATOM 194 CA ALA A 15 5.897 -2.813 8.230 1.00 0.00 C ATOM 195 C ALA A 15 5.589 -1.619 9.139 1.00 0.00 C ATOM 196 O ALA A 15 5.313 -1.802 10.326 1.00 0.00 O ATOM 197 CB ALA A 15 7.396 -2.920 7.916 1.00 0.00 C ATOM 0 H ALA A 15 5.675 -2.610 6.163 1.00 0.00 H new ATOM 0 HA ALA A 15 5.629 -3.741 8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.954 -3.042 8.844 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.572 -3.781 7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.727 -2.013 7.410 1.00 0.00 H new ATOM 203 N ARG A 16 5.586 -0.396 8.581 1.00 0.00 N ATOM 204 CA ARG A 16 5.275 0.800 9.368 1.00 0.00 C ATOM 205 C ARG A 16 3.854 0.748 9.912 1.00 0.00 C ATOM 206 O ARG A 16 3.660 1.076 11.080 1.00 0.00 O ATOM 207 CB ARG A 16 5.477 2.084 8.553 1.00 0.00 C ATOM 208 CG ARG A 16 6.922 2.374 8.128 1.00 0.00 C ATOM 209 CD ARG A 16 7.824 2.852 9.281 1.00 0.00 C ATOM 210 NE ARG A 16 8.174 1.766 10.216 1.00 0.00 N ATOM 211 CZ ARG A 16 9.058 0.784 10.021 1.00 0.00 C ATOM 212 NH1 ARG A 16 9.892 0.797 8.992 1.00 0.00 N ATOM 213 NH2 ARG A 16 9.111 -0.240 10.859 1.00 0.00 N ATOM 0 H ARG A 16 5.793 -0.215 7.599 1.00 0.00 H new ATOM 0 HA ARG A 16 5.971 0.816 10.207 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.858 2.027 7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.113 2.927 9.140 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.351 1.471 7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.916 3.133 7.345 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.738 3.280 8.869 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.318 3.648 9.827 1.00 0.00 H new ATOM 0 HE ARG A 16 7.686 1.765 11.112 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.868 1.569 8.326 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.558 0.035 8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.476 -0.280 11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.787 -0.989 10.708 1.00 0.00 H new ATOM 227 N LEU A 17 2.866 0.310 9.125 1.00 0.00 N ATOM 228 CA LEU A 17 1.481 0.233 9.610 1.00 0.00 C ATOM 229 C LEU A 17 1.392 -0.757 10.764 1.00 0.00 C ATOM 230 O LEU A 17 0.798 -0.450 11.799 1.00 0.00 O ATOM 231 CB LEU A 17 0.478 -0.197 8.521 1.00 0.00 C ATOM 232 CG LEU A 17 0.494 0.691 7.275 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.523 0.217 6.236 1.00 0.00 C ATOM 234 CD2 LEU A 17 0.234 2.167 7.603 1.00 0.00 C ATOM 0 H LEU A 17 2.995 0.006 8.160 1.00 0.00 H new ATOM 0 HA LEU A 17 1.213 1.240 9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.696 -1.223 8.226 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.526 -0.193 8.945 1.00 0.00 H new ATOM 0 HG LEU A 17 1.499 0.606 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.484 0.871 5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.287 -0.804 5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.524 0.246 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.256 2.753 6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.743 2.268 8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.004 2.530 8.283 1.00 0.00 H new ATOM 246 N GLY A 18 2.012 -1.925 10.607 1.00 0.00 N ATOM 247 CA GLY A 18 2.030 -2.997 11.580 1.00 0.00 C ATOM 248 C GLY A 18 1.032 -4.078 11.197 1.00 0.00 C ATOM 249 O GLY A 18 0.359 -4.607 12.091 1.00 0.00 O ATOM 0 H GLY A 18 2.535 -2.152 9.761 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.031 -3.423 11.642 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.789 -2.604 12.568 1.00 0.00 H new ATOM 253 N CYS A 19 0.784 -4.280 9.895 1.00 0.00 N ATOM 254 CA CYS A 19 -0.138 -5.334 9.476 1.00 0.00 C ATOM 255 C CYS A 19 0.582 -6.691 9.536 1.00 0.00 C ATOM 256 O CYS A 19 1.807 -6.724 9.648 1.00 0.00 O ATOM 257 CB CYS A 19 -0.756 -4.986 8.131 1.00 0.00 C ATOM 258 SG CYS A 19 0.410 -5.273 6.797 1.00 0.00 S ATOM 0 H CYS A 19 1.199 -3.741 9.135 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.984 -5.416 10.158 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.652 -5.586 7.972 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.067 -3.941 8.129 1.00 0.00 H new ATOM 0 HG CYS A 19 0.011 -4.647 5.730 1.00 0.00 H new ATOM 264 N SER A 20 -0.151 -7.801 9.407 1.00 0.00 N ATOM 265 CA SER A 20 0.446 -9.133 9.474 1.00 0.00 C ATOM 266 C SER A 20 -0.052 -10.020 8.339 1.00 0.00 C ATOM 267 O SER A 20 0.720 -10.387 7.453 1.00 0.00 O ATOM 268 CB SER A 20 0.155 -9.732 10.855 1.00 0.00 C ATOM 269 OG SER A 20 0.613 -8.849 11.860 1.00 0.00 O ATOM 0 H SER A 20 -1.160 -7.801 9.255 1.00 0.00 H new ATOM 0 HA SER A 20 1.526 -9.062 9.345 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.915 -9.906 10.969 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.647 -10.699 10.954 1.00 0.00 H new ATOM 0 HG SER A 20 0.425 -9.232 12.742 1.00 0.00 H new ATOM 275 N SER A 21 -1.338 -10.362 8.346 1.00 0.00 N ATOM 276 CA SER A 21 -1.938 -11.211 7.330 1.00 0.00 C ATOM 277 C SER A 21 -1.944 -10.539 5.949 1.00 0.00 C ATOM 278 O SER A 21 -1.791 -11.197 4.916 1.00 0.00 O ATOM 279 CB SER A 21 -3.377 -11.514 7.769 1.00 0.00 C ATOM 280 OG SER A 21 -3.415 -12.303 8.951 1.00 0.00 O ATOM 0 H SER A 21 -1.994 -10.054 9.063 1.00 0.00 H new ATOM 0 HA SER A 21 -1.352 -12.125 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.909 -10.578 7.940 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.899 -12.036 6.967 1.00 0.00 H new ATOM 0 HG SER A 21 -4.347 -12.474 9.200 1.00 0.00 H new ATOM 286 N CYS A 22 -2.083 -9.211 5.933 1.00 0.00 N ATOM 287 CA CYS A 22 -2.154 -8.419 4.726 1.00 0.00 C ATOM 288 C CYS A 22 -0.875 -8.471 3.918 1.00 0.00 C ATOM 289 O CYS A 22 -0.954 -8.532 2.689 1.00 0.00 O ATOM 290 CB CYS A 22 -2.493 -6.961 5.067 1.00 0.00 C ATOM 291 SG CYS A 22 -3.684 -6.879 6.429 1.00 0.00 S ATOM 0 H CYS A 22 -2.150 -8.654 6.785 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.944 -8.850 4.112 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.584 -6.426 5.341 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.904 -6.463 4.188 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.336 -5.756 6.368 1.00 0.00 H new ATOM 297 N LEU A 23 0.271 -8.392 4.600 1.00 0.00 N ATOM 298 CA LEU A 23 1.568 -8.434 3.946 1.00 0.00 C ATOM 299 C LEU A 23 1.800 -9.803 3.333 1.00 0.00 C ATOM 300 O LEU A 23 2.389 -9.869 2.260 1.00 0.00 O ATOM 301 CB LEU A 23 2.696 -7.985 4.899 1.00 0.00 C ATOM 302 CG LEU A 23 3.363 -9.072 5.768 1.00 0.00 C ATOM 303 CD1 LEU A 23 4.608 -9.658 5.093 1.00 0.00 C ATOM 304 CD2 LEU A 23 3.762 -8.467 7.112 1.00 0.00 C ATOM 0 H LEU A 23 0.319 -8.298 5.615 1.00 0.00 H new ATOM 0 HA LEU A 23 1.579 -7.715 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.472 -7.508 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.292 -7.222 5.564 1.00 0.00 H new ATOM 0 HG LEU A 23 2.643 -9.878 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.047 -10.419 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.328 -10.107 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.336 -8.865 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.234 -9.231 7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.463 -7.649 6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.874 -8.088 7.619 1.00 0.00 H new ATOM 316 N ASP A 24 1.338 -10.878 3.976 1.00 0.00 N ATOM 317 CA ASP A 24 1.524 -12.221 3.440 1.00 0.00 C ATOM 318 C ASP A 24 0.782 -12.319 2.122 1.00 0.00 C ATOM 319 O ASP A 24 1.382 -12.688 1.114 1.00 0.00 O ATOM 320 CB ASP A 24 1.039 -13.284 4.414 1.00 0.00 C ATOM 321 CG ASP A 24 1.161 -14.672 3.788 1.00 0.00 C ATOM 322 OD1 ASP A 24 2.230 -15.296 3.983 1.00 0.00 O ATOM 323 OD2 ASP A 24 0.156 -15.177 3.237 1.00 0.00 O ATOM 0 H ASP A 24 0.836 -10.842 4.863 1.00 0.00 H new ATOM 0 HA ASP A 24 2.588 -12.400 3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.624 -13.239 5.333 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.002 -13.091 4.687 1.00 0.00 H new ATOM 328 N TYR A 25 -0.488 -11.896 2.123 1.00 0.00 N ATOM 329 CA TYR A 25 -1.297 -11.922 0.918 1.00 0.00 C ATOM 330 C TYR A 25 -0.607 -11.120 -0.193 1.00 0.00 C ATOM 331 O TYR A 25 -0.341 -11.660 -1.264 1.00 0.00 O ATOM 332 CB TYR A 25 -2.700 -11.363 1.194 1.00 0.00 C ATOM 333 CG TYR A 25 -3.532 -12.007 2.292 1.00 0.00 C ATOM 334 CD1 TYR A 25 -4.589 -11.261 2.847 1.00 0.00 C ATOM 335 CD2 TYR A 25 -3.322 -13.335 2.721 1.00 0.00 C ATOM 336 CE1 TYR A 25 -5.470 -11.845 3.767 1.00 0.00 C ATOM 337 CE2 TYR A 25 -4.181 -13.914 3.673 1.00 0.00 C ATOM 338 CZ TYR A 25 -5.276 -13.177 4.179 1.00 0.00 C ATOM 339 OH TYR A 25 -6.163 -13.736 5.044 1.00 0.00 O ATOM 0 H TYR A 25 -0.968 -11.534 2.947 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.404 -12.956 0.591 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.594 -10.305 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.270 -11.424 0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.722 -10.228 2.561 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.500 -13.908 2.318 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.298 -11.273 4.160 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.004 -14.922 4.017 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.897 -14.660 5.234 1.00 0.00 H new ATOM 349 N PHE A 26 -0.260 -9.854 0.066 1.00 0.00 N ATOM 350 CA PHE A 26 0.382 -9.000 -0.931 1.00 0.00 C ATOM 351 C PHE A 26 1.653 -9.599 -1.521 1.00 0.00 C ATOM 352 O PHE A 26 1.807 -9.647 -2.746 1.00 0.00 O ATOM 353 CB PHE A 26 0.695 -7.613 -0.341 1.00 0.00 C ATOM 354 CG PHE A 26 -0.295 -6.578 -0.810 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.094 -5.920 -2.034 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.470 -6.356 -0.083 1.00 0.00 C ATOM 357 CE1 PHE A 26 -1.078 -5.068 -2.557 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.474 -5.531 -0.608 1.00 0.00 C ATOM 359 CZ PHE A 26 -2.292 -4.926 -1.864 1.00 0.00 C ATOM 0 H PHE A 26 -0.416 -9.399 0.965 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.336 -8.908 -1.746 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.678 -7.667 0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.702 -7.312 -0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.827 -6.071 -2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.603 -6.821 0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.905 -4.530 -3.477 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.383 -5.361 -0.050 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.093 -4.347 -2.300 1.00 0.00 H new ATOM 369 N THR A 27 2.571 -10.017 -0.654 1.00 0.00 N ATOM 370 CA THR A 27 3.844 -10.578 -1.061 1.00 0.00 C ATOM 371 C THR A 27 3.665 -11.849 -1.890 1.00 0.00 C ATOM 372 O THR A 27 4.222 -11.917 -2.988 1.00 0.00 O ATOM 373 CB THR A 27 4.762 -10.740 0.166 1.00 0.00 C ATOM 374 OG1 THR A 27 4.179 -11.540 1.175 1.00 0.00 O ATOM 375 CG2 THR A 27 5.137 -9.389 0.787 1.00 0.00 C ATOM 0 H THR A 27 2.446 -9.973 0.357 1.00 0.00 H new ATOM 0 HA THR A 27 4.348 -9.885 -1.735 1.00 0.00 H new ATOM 0 HB THR A 27 5.658 -11.233 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.615 -10.982 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.785 -9.552 1.649 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.661 -8.782 0.049 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.232 -8.871 1.106 1.00 0.00 H new ATOM 383 N THR A 28 2.886 -12.828 -1.425 1.00 0.00 N ATOM 384 CA THR A 28 2.673 -14.067 -2.164 1.00 0.00 C ATOM 385 C THR A 28 1.977 -13.797 -3.503 1.00 0.00 C ATOM 386 O THR A 28 2.317 -14.437 -4.500 1.00 0.00 O ATOM 387 CB THR A 28 1.948 -15.065 -1.253 1.00 0.00 C ATOM 388 OG1 THR A 28 2.860 -15.385 -0.216 1.00 0.00 O ATOM 389 CG2 THR A 28 1.552 -16.354 -1.980 1.00 0.00 C ATOM 0 H THR A 28 2.391 -12.783 -0.534 1.00 0.00 H new ATOM 0 HA THR A 28 3.623 -14.523 -2.441 1.00 0.00 H new ATOM 0 HB THR A 28 1.024 -14.616 -0.890 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.444 -16.023 0.400 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.043 -17.022 -1.285 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.885 -16.114 -2.808 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.446 -16.844 -2.365 1.00 0.00 H new ATOM 397 N GLN A 29 1.050 -12.836 -3.574 1.00 0.00 N ATOM 398 CA GLN A 29 0.363 -12.519 -4.824 1.00 0.00 C ATOM 399 C GLN A 29 1.323 -11.849 -5.830 1.00 0.00 C ATOM 400 O GLN A 29 1.015 -11.819 -7.021 1.00 0.00 O ATOM 401 CB GLN A 29 -0.839 -11.612 -4.542 1.00 0.00 C ATOM 402 CG GLN A 29 -1.986 -12.248 -3.736 1.00 0.00 C ATOM 403 CD GLN A 29 -2.963 -13.081 -4.561 1.00 0.00 C ATOM 404 OE1 GLN A 29 -3.598 -12.600 -5.505 1.00 0.00 O ATOM 405 NE2 GLN A 29 -3.147 -14.337 -4.187 1.00 0.00 N ATOM 0 H GLN A 29 0.760 -12.266 -2.779 1.00 0.00 H new ATOM 0 HA GLN A 29 0.010 -13.449 -5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.487 -10.732 -4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.239 -11.265 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.558 -12.881 -2.958 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.541 -11.456 -3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.615 -14.720 -3.405 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.821 -14.923 -4.680 1.00 0.00 H new ATOM 414 N GLY A 30 2.468 -11.321 -5.379 1.00 0.00 N ATOM 415 CA GLY A 30 3.496 -10.671 -6.197 1.00 0.00 C ATOM 416 C GLY A 30 3.022 -9.360 -6.819 1.00 0.00 C ATOM 417 O GLY A 30 3.441 -8.986 -7.919 1.00 0.00 O ATOM 0 H GLY A 30 2.713 -11.337 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.374 -10.478 -5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.806 -11.352 -6.990 1.00 0.00 H new ATOM 421 N LEU A 31 2.168 -8.633 -6.097 1.00 0.00 N ATOM 422 CA LEU A 31 1.559 -7.370 -6.532 1.00 0.00 C ATOM 423 C LEU A 31 1.798 -6.214 -5.559 1.00 0.00 C ATOM 424 O LEU A 31 1.057 -5.240 -5.546 1.00 0.00 O ATOM 425 CB LEU A 31 0.064 -7.602 -6.866 1.00 0.00 C ATOM 426 CG LEU A 31 -0.717 -8.458 -5.855 1.00 0.00 C ATOM 427 CD1 LEU A 31 -0.819 -7.831 -4.471 1.00 0.00 C ATOM 428 CD2 LEU A 31 -2.123 -8.790 -6.340 1.00 0.00 C ATOM 0 H LEU A 31 1.870 -8.914 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 31 2.060 -7.046 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.426 -6.632 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.002 -8.077 -7.845 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.130 -9.373 -5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.383 -8.492 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.181 -7.682 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.328 -6.870 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.633 -9.396 -5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.680 -7.867 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.063 -9.345 -7.276 1.00 0.00 H new ATOM 440 N THR A 32 2.830 -6.313 -4.723 1.00 0.00 N ATOM 441 CA THR A 32 3.138 -5.267 -3.752 1.00 0.00 C ATOM 442 C THR A 32 3.985 -4.195 -4.432 1.00 0.00 C ATOM 443 O THR A 32 5.095 -4.469 -4.880 1.00 0.00 O ATOM 444 CB THR A 32 3.871 -5.891 -2.517 1.00 0.00 C ATOM 445 OG1 THR A 32 4.936 -5.097 -2.013 1.00 0.00 O ATOM 446 CG2 THR A 32 4.455 -7.293 -2.736 1.00 0.00 C ATOM 0 H THR A 32 3.468 -7.109 -4.699 1.00 0.00 H new ATOM 0 HA THR A 32 2.222 -4.802 -3.389 1.00 0.00 H new ATOM 0 HB THR A 32 3.050 -5.945 -1.802 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.344 -5.547 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.940 -7.632 -1.821 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.654 -7.984 -3.000 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.186 -7.260 -3.544 1.00 0.00 H new ATOM 454 N THR A 33 3.490 -2.950 -4.488 1.00 0.00 N ATOM 455 CA THR A 33 4.249 -1.852 -5.052 1.00 0.00 C ATOM 456 C THR A 33 3.710 -0.549 -4.439 1.00 0.00 C ATOM 457 O THR A 33 2.510 -0.451 -4.194 1.00 0.00 O ATOM 458 CB THR A 33 4.132 -1.925 -6.596 1.00 0.00 C ATOM 459 OG1 THR A 33 4.040 -0.638 -7.173 1.00 0.00 O ATOM 460 CG2 THR A 33 2.972 -2.804 -7.140 1.00 0.00 C ATOM 0 H THR A 33 2.565 -2.690 -4.146 1.00 0.00 H new ATOM 0 HA THR A 33 5.313 -1.900 -4.819 1.00 0.00 H new ATOM 0 HB THR A 33 5.057 -2.418 -6.895 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.436 -0.652 -8.069 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.982 -2.785 -8.230 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.099 -3.830 -6.794 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.020 -2.415 -6.779 1.00 0.00 H new ATOM 468 N ILE A 34 4.575 0.451 -4.237 1.00 0.00 N ATOM 469 CA ILE A 34 4.193 1.757 -3.668 1.00 0.00 C ATOM 470 C ILE A 34 3.542 2.653 -4.721 1.00 0.00 C ATOM 471 O ILE A 34 2.482 3.238 -4.538 1.00 0.00 O ATOM 472 CB ILE A 34 5.377 2.480 -2.976 1.00 0.00 C ATOM 473 CG1 ILE A 34 6.126 1.601 -1.962 1.00 0.00 C ATOM 474 CG2 ILE A 34 4.913 3.738 -2.221 1.00 0.00 C ATOM 475 CD1 ILE A 34 5.319 1.285 -0.687 1.00 0.00 C ATOM 0 H ILE A 34 5.567 0.381 -4.464 1.00 0.00 H new ATOM 0 HA ILE A 34 3.456 1.551 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 34 6.049 2.737 -3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.404 0.664 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.052 2.101 -1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.771 4.217 -1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.450 4.433 -2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.189 3.457 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.917 0.661 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.063 2.215 -0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.405 0.756 -0.957 1.00 0.00 H new ATOM 487 N TYR A 35 4.225 2.760 -5.853 1.00 0.00 N ATOM 488 CA TYR A 35 3.846 3.578 -6.985 1.00 0.00 C ATOM 489 C TYR A 35 2.494 3.165 -7.544 1.00 0.00 C ATOM 490 O TYR A 35 1.772 4.008 -8.066 1.00 0.00 O ATOM 491 CB TYR A 35 4.985 3.522 -8.013 1.00 0.00 C ATOM 492 CG TYR A 35 6.261 4.186 -7.507 1.00 0.00 C ATOM 493 CD1 TYR A 35 7.045 3.597 -6.488 1.00 0.00 C ATOM 494 CD2 TYR A 35 6.629 5.442 -8.019 1.00 0.00 C ATOM 495 CE1 TYR A 35 8.132 4.288 -5.925 1.00 0.00 C ATOM 496 CE2 TYR A 35 7.751 6.114 -7.510 1.00 0.00 C ATOM 497 CZ TYR A 35 8.493 5.554 -6.447 1.00 0.00 C ATOM 498 OH TYR A 35 9.585 6.225 -5.987 1.00 0.00 O ATOM 0 H TYR A 35 5.097 2.254 -6.009 1.00 0.00 H new ATOM 0 HA TYR A 35 3.710 4.616 -6.682 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.195 2.482 -8.262 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.665 4.012 -8.933 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.806 2.604 -6.138 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.045 5.892 -8.808 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.686 3.858 -5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.048 7.062 -7.933 1.00 0.00 H new ATOM 0 HH TYR A 35 9.672 7.075 -6.466 1.00 0.00 H new ATOM 508 N GLN A 36 2.142 1.881 -7.432 1.00 0.00 N ATOM 509 CA GLN A 36 0.859 1.415 -7.931 1.00 0.00 C ATOM 510 C GLN A 36 -0.249 1.836 -6.969 1.00 0.00 C ATOM 511 O GLN A 36 -1.281 2.299 -7.439 1.00 0.00 O ATOM 512 CB GLN A 36 0.879 -0.099 -8.139 1.00 0.00 C ATOM 513 CG GLN A 36 1.640 -0.545 -9.401 1.00 0.00 C ATOM 514 CD GLN A 36 0.971 -0.148 -10.715 1.00 0.00 C ATOM 515 OE1 GLN A 36 0.148 -0.885 -11.253 1.00 0.00 O ATOM 516 NE2 GLN A 36 1.339 0.979 -11.297 1.00 0.00 N ATOM 0 H GLN A 36 2.723 1.159 -7.005 1.00 0.00 H new ATOM 0 HA GLN A 36 0.662 1.872 -8.901 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.333 -0.570 -7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.147 -0.461 -8.198 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.643 -0.119 -9.375 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.753 -1.629 -9.378 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.023 1.587 -10.845 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.940 1.242 -12.198 1.00 0.00 H new ATOM 525 N ILE A 37 -0.073 1.702 -5.646 1.00 0.00 N ATOM 526 CA ILE A 37 -1.119 2.106 -4.696 1.00 0.00 C ATOM 527 C ILE A 37 -1.373 3.611 -4.731 1.00 0.00 C ATOM 528 O ILE A 37 -2.430 4.060 -4.293 1.00 0.00 O ATOM 529 CB ILE A 37 -0.885 1.571 -3.274 1.00 0.00 C ATOM 530 CG1 ILE A 37 0.476 1.953 -2.674 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.043 0.048 -3.328 1.00 0.00 C ATOM 532 CD1 ILE A 37 0.717 1.429 -1.259 1.00 0.00 C ATOM 0 H ILE A 37 0.770 1.323 -5.215 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.039 1.628 -5.033 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.618 2.033 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.264 1.576 -3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.562 3.040 -2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.884 -0.370 -2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.047 -0.202 -3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.310 -0.370 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.702 1.747 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.046 1.826 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.667 0.340 -1.261 1.00 0.00 H new ATOM 544 N GLU A 38 -0.433 4.391 -5.268 1.00 0.00 N ATOM 545 CA GLU A 38 -0.614 5.824 -5.378 1.00 0.00 C ATOM 546 C GLU A 38 -1.650 6.122 -6.481 1.00 0.00 C ATOM 547 O GLU A 38 -2.192 7.228 -6.503 1.00 0.00 O ATOM 548 CB GLU A 38 0.741 6.497 -5.630 1.00 0.00 C ATOM 549 CG GLU A 38 0.700 7.979 -5.238 1.00 0.00 C ATOM 550 CD GLU A 38 2.018 8.671 -5.562 1.00 0.00 C ATOM 551 OE1 GLU A 38 2.248 8.979 -6.752 1.00 0.00 O ATOM 552 OE2 GLU A 38 2.818 8.946 -4.639 1.00 0.00 O ATOM 0 H GLU A 38 0.456 4.047 -5.630 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.004 6.238 -4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.516 5.987 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.008 6.403 -6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.114 8.475 -5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.491 8.070 -4.172 1.00 0.00 H new ATOM 559 N HIS A 39 -1.927 5.178 -7.395 1.00 0.00 N ATOM 560 CA HIS A 39 -2.908 5.341 -8.470 1.00 0.00 C ATOM 561 C HIS A 39 -4.084 4.361 -8.288 1.00 0.00 C ATOM 562 O HIS A 39 -5.202 4.713 -8.656 1.00 0.00 O ATOM 563 CB HIS A 39 -2.182 5.088 -9.806 1.00 0.00 C ATOM 564 CG HIS A 39 -2.791 5.667 -11.070 1.00 0.00 C ATOM 565 ND1 HIS A 39 -2.058 6.061 -12.169 1.00 0.00 N ATOM 566 CD2 HIS A 39 -4.113 5.820 -11.402 1.00 0.00 C ATOM 567 CE1 HIS A 39 -2.902 6.449 -13.137 1.00 0.00 C ATOM 568 NE2 HIS A 39 -4.166 6.289 -12.720 1.00 0.00 N ATOM 0 H HIS A 39 -1.467 4.268 -7.404 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.326 6.348 -8.454 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.169 5.479 -9.714 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.097 4.010 -9.940 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.959 5.616 -10.763 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.608 6.831 -14.103 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.010 6.475 -13.262 1.00 0.00 H new ATOM 576 N TYR A 40 -3.906 3.227 -7.596 1.00 0.00 N ATOM 577 CA TYR A 40 -4.952 2.237 -7.357 1.00 0.00 C ATOM 578 C TYR A 40 -5.884 2.812 -6.291 1.00 0.00 C ATOM 579 O TYR A 40 -5.577 2.786 -5.096 1.00 0.00 O ATOM 580 CB TYR A 40 -4.371 0.850 -6.976 1.00 0.00 C ATOM 581 CG TYR A 40 -3.848 -0.028 -8.116 1.00 0.00 C ATOM 582 CD1 TYR A 40 -2.711 -0.867 -7.963 1.00 0.00 C ATOM 583 CD2 TYR A 40 -4.568 -0.078 -9.330 1.00 0.00 C ATOM 584 CE1 TYR A 40 -2.340 -1.740 -9.005 1.00 0.00 C ATOM 585 CE2 TYR A 40 -4.184 -0.931 -10.373 1.00 0.00 C ATOM 586 CZ TYR A 40 -3.071 -1.775 -10.211 1.00 0.00 C ATOM 587 OH TYR A 40 -2.720 -2.620 -11.215 1.00 0.00 O ATOM 0 H TYR A 40 -3.010 2.972 -7.180 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.516 2.049 -8.271 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.556 1.008 -6.270 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.145 0.293 -6.449 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.133 -0.836 -7.051 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.434 0.555 -9.457 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.486 -2.390 -8.879 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.741 -0.940 -11.298 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.337 -2.507 -11.968 1.00 0.00 H new ATOM 597 N SER A 41 -7.007 3.371 -6.741 1.00 0.00 N ATOM 598 CA SER A 41 -8.016 3.991 -5.904 1.00 0.00 C ATOM 599 C SER A 41 -8.822 2.972 -5.100 1.00 0.00 C ATOM 600 O SER A 41 -8.677 1.757 -5.252 1.00 0.00 O ATOM 601 CB SER A 41 -8.939 4.822 -6.813 1.00 0.00 C ATOM 602 OG SER A 41 -9.762 3.991 -7.615 1.00 0.00 O ATOM 0 H SER A 41 -7.241 3.402 -7.733 1.00 0.00 H new ATOM 0 HA SER A 41 -7.522 4.626 -5.169 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.563 5.473 -6.202 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.337 5.467 -7.453 1.00 0.00 H new ATOM 0 HG SER A 41 -10.338 4.548 -8.180 1.00 0.00 H new ATOM 608 N MET A 42 -9.742 3.479 -4.271 1.00 0.00 N ATOM 609 CA MET A 42 -10.621 2.672 -3.431 1.00 0.00 C ATOM 610 C MET A 42 -11.393 1.599 -4.206 1.00 0.00 C ATOM 611 O MET A 42 -11.786 0.596 -3.613 1.00 0.00 O ATOM 612 CB MET A 42 -11.620 3.572 -2.683 1.00 0.00 C ATOM 613 CG MET A 42 -12.471 4.467 -3.596 1.00 0.00 C ATOM 614 SD MET A 42 -13.962 5.124 -2.807 1.00 0.00 S ATOM 615 CE MET A 42 -15.077 3.701 -2.939 1.00 0.00 C ATOM 0 H MET A 42 -9.896 4.482 -4.167 1.00 0.00 H new ATOM 0 HA MET A 42 -9.970 2.154 -2.727 1.00 0.00 H new ATOM 0 HB2 MET A 42 -12.284 2.943 -2.089 1.00 0.00 H new ATOM 0 HB3 MET A 42 -11.070 4.203 -1.985 1.00 0.00 H new ATOM 0 HG2 MET A 42 -11.859 5.300 -3.943 1.00 0.00 H new ATOM 0 HG3 MET A 42 -12.761 3.896 -4.478 1.00 0.00 H new ATOM 0 HE1 MET A 42 -16.040 3.951 -2.495 1.00 0.00 H new ATOM 0 HE2 MET A 42 -15.217 3.445 -3.989 1.00 0.00 H new ATOM 0 HE3 MET A 42 -14.645 2.850 -2.412 1.00 0.00 H new ATOM 625 N ASP A 43 -11.650 1.828 -5.491 1.00 0.00 N ATOM 626 CA ASP A 43 -12.365 0.911 -6.355 1.00 0.00 C ATOM 627 C ASP A 43 -11.480 -0.258 -6.762 1.00 0.00 C ATOM 628 O ASP A 43 -11.865 -1.417 -6.609 1.00 0.00 O ATOM 629 CB ASP A 43 -12.833 1.657 -7.596 1.00 0.00 C ATOM 630 CG ASP A 43 -13.593 0.727 -8.530 1.00 0.00 C ATOM 631 OD1 ASP A 43 -13.300 0.716 -9.747 1.00 0.00 O ATOM 632 OD2 ASP A 43 -14.573 0.111 -8.048 1.00 0.00 O ATOM 0 H ASP A 43 -11.356 2.681 -5.967 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.223 0.514 -5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -13.473 2.490 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.974 2.081 -8.117 1.00 0.00 H new ATOM 637 N ASP A 44 -10.272 0.042 -7.252 1.00 0.00 N ATOM 638 CA ASP A 44 -9.330 -0.992 -7.676 1.00 0.00 C ATOM 639 C ASP A 44 -8.931 -1.854 -6.480 1.00 0.00 C ATOM 640 O ASP A 44 -8.736 -3.065 -6.614 1.00 0.00 O ATOM 641 CB ASP A 44 -8.092 -0.383 -8.354 1.00 0.00 C ATOM 642 CG ASP A 44 -8.050 -0.669 -9.858 1.00 0.00 C ATOM 643 OD1 ASP A 44 -7.651 0.225 -10.630 1.00 0.00 O ATOM 644 OD2 ASP A 44 -8.399 -1.798 -10.278 1.00 0.00 O ATOM 0 H ASP A 44 -9.926 0.995 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.824 -1.623 -8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.085 0.695 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.192 -0.781 -7.886 1.00 0.00 H new ATOM 649 N LEU A 45 -8.845 -1.237 -5.300 1.00 0.00 N ATOM 650 CA LEU A 45 -8.498 -1.916 -4.063 1.00 0.00 C ATOM 651 C LEU A 45 -9.647 -2.841 -3.692 1.00 0.00 C ATOM 652 O LEU A 45 -9.416 -4.012 -3.406 1.00 0.00 O ATOM 653 CB LEU A 45 -8.187 -0.890 -2.960 1.00 0.00 C ATOM 654 CG LEU A 45 -6.939 -0.064 -3.302 1.00 0.00 C ATOM 655 CD1 LEU A 45 -6.834 1.117 -2.344 1.00 0.00 C ATOM 656 CD2 LEU A 45 -5.669 -0.904 -3.232 1.00 0.00 C ATOM 0 H LEU A 45 -9.018 -0.239 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.596 -2.515 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.041 -0.225 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.035 -1.407 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.041 0.295 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.948 1.704 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.721 1.743 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.757 0.750 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.808 -0.283 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.551 -1.302 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.739 -1.729 -3.941 1.00 0.00 H new ATOM 668 N ALA A 46 -10.884 -2.341 -3.702 1.00 0.00 N ATOM 669 CA ALA A 46 -12.048 -3.159 -3.375 1.00 0.00 C ATOM 670 C ALA A 46 -12.130 -4.357 -4.336 1.00 0.00 C ATOM 671 O ALA A 46 -12.443 -5.475 -3.920 1.00 0.00 O ATOM 672 CB ALA A 46 -13.295 -2.278 -3.401 1.00 0.00 C ATOM 0 H ALA A 46 -11.103 -1.372 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.964 -3.575 -2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.171 -2.880 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.190 -1.477 -2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.415 -1.847 -4.395 1.00 0.00 H new ATOM 678 N SER A 47 -11.799 -4.133 -5.612 1.00 0.00 N ATOM 679 CA SER A 47 -11.777 -5.136 -6.667 1.00 0.00 C ATOM 680 C SER A 47 -10.759 -6.224 -6.290 1.00 0.00 C ATOM 681 O SER A 47 -11.054 -7.416 -6.437 1.00 0.00 O ATOM 682 CB SER A 47 -11.483 -4.402 -7.983 1.00 0.00 C ATOM 683 OG SER A 47 -11.359 -5.226 -9.119 1.00 0.00 O ATOM 0 H SER A 47 -11.529 -3.208 -5.945 1.00 0.00 H new ATOM 0 HA SER A 47 -12.727 -5.656 -6.795 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.280 -3.681 -8.163 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.560 -3.834 -7.864 1.00 0.00 H new ATOM 0 HG SER A 47 -11.175 -4.672 -9.906 1.00 0.00 H new ATOM 689 N LEU A 48 -9.608 -5.845 -5.714 1.00 0.00 N ATOM 690 CA LEU A 48 -8.542 -6.749 -5.262 1.00 0.00 C ATOM 691 C LEU A 48 -8.941 -7.544 -4.002 1.00 0.00 C ATOM 692 O LEU A 48 -8.077 -8.188 -3.405 1.00 0.00 O ATOM 693 CB LEU A 48 -7.227 -5.969 -5.025 1.00 0.00 C ATOM 694 CG LEU A 48 -6.535 -5.536 -6.324 1.00 0.00 C ATOM 695 CD1 LEU A 48 -5.511 -4.433 -6.041 1.00 0.00 C ATOM 696 CD2 LEU A 48 -5.838 -6.706 -7.026 1.00 0.00 C ATOM 0 H LEU A 48 -9.387 -4.864 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.380 -7.475 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.440 -5.085 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.543 -6.591 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.313 -5.159 -6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.029 -4.137 -6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.016 -3.572 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.759 -4.805 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.363 -6.351 -7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.082 -7.129 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.573 -7.472 -7.273 1.00 0.00 H new ATOM 708 N LYS A 49 -10.227 -7.555 -3.616 1.00 0.00 N ATOM 709 CA LYS A 49 -10.844 -8.229 -2.461 1.00 0.00 C ATOM 710 C LYS A 49 -10.512 -7.530 -1.139 1.00 0.00 C ATOM 711 O LYS A 49 -10.810 -8.069 -0.071 1.00 0.00 O ATOM 712 CB LYS A 49 -10.565 -9.752 -2.391 1.00 0.00 C ATOM 713 CG LYS A 49 -11.103 -10.621 -3.544 1.00 0.00 C ATOM 714 CD LYS A 49 -10.334 -10.576 -4.873 1.00 0.00 C ATOM 715 CE LYS A 49 -8.856 -10.941 -4.704 1.00 0.00 C ATOM 716 NZ LYS A 49 -8.091 -10.751 -5.952 1.00 0.00 N ATOM 0 H LYS A 49 -10.927 -7.045 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.918 -8.139 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.486 -9.895 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.985 -10.130 -1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.129 -11.656 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.133 -10.324 -3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.797 -11.264 -5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.412 -9.577 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.420 -10.328 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.774 -11.980 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.096 -11.010 -5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.490 -11.355 -6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.147 -9.755 -6.245 1.00 0.00 H new ATOM 730 N ILE A 50 -9.890 -6.354 -1.190 1.00 0.00 N ATOM 731 CA ILE A 50 -9.508 -5.583 -0.015 1.00 0.00 C ATOM 732 C ILE A 50 -10.809 -5.051 0.608 1.00 0.00 C ATOM 733 O ILE A 50 -11.490 -4.252 -0.038 1.00 0.00 O ATOM 734 CB ILE A 50 -8.528 -4.470 -0.443 1.00 0.00 C ATOM 735 CG1 ILE A 50 -7.328 -5.014 -1.264 1.00 0.00 C ATOM 736 CG2 ILE A 50 -8.007 -3.652 0.737 1.00 0.00 C ATOM 737 CD1 ILE A 50 -6.424 -6.020 -0.527 1.00 0.00 C ATOM 0 H ILE A 50 -9.633 -5.904 -2.068 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.985 -6.177 0.735 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.116 -3.812 -1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.713 -5.490 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.717 -4.170 -1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.323 -2.885 0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.844 -3.178 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.482 -4.308 1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.618 -6.337 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.001 -5.548 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.012 -6.888 -0.230 1.00 0.00 H new ATOM 749 N PRO A 51 -11.202 -5.474 1.825 1.00 0.00 N ATOM 750 CA PRO A 51 -12.433 -4.995 2.432 1.00 0.00 C ATOM 751 C PRO A 51 -12.278 -3.514 2.753 1.00 0.00 C ATOM 752 O PRO A 51 -11.208 -3.089 3.195 1.00 0.00 O ATOM 753 CB PRO A 51 -12.654 -5.862 3.670 1.00 0.00 C ATOM 754 CG PRO A 51 -11.245 -6.301 4.062 1.00 0.00 C ATOM 755 CD PRO A 51 -10.518 -6.394 2.720 1.00 0.00 C ATOM 0 HA PRO A 51 -13.302 -5.076 1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.136 -5.301 4.471 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -13.293 -6.717 3.451 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.770 -5.580 4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.252 -7.259 4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.467 -6.125 2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.548 -7.411 2.330 1.00 0.00 H new ATOM 763 N GLU A 52 -13.358 -2.741 2.627 1.00 0.00 N ATOM 764 CA GLU A 52 -13.345 -1.299 2.869 1.00 0.00 C ATOM 765 C GLU A 52 -12.747 -0.876 4.209 1.00 0.00 C ATOM 766 O GLU A 52 -12.084 0.161 4.284 1.00 0.00 O ATOM 767 CB GLU A 52 -14.733 -0.689 2.746 1.00 0.00 C ATOM 768 CG GLU A 52 -15.314 -0.808 1.335 1.00 0.00 C ATOM 769 CD GLU A 52 -16.267 0.346 1.040 1.00 0.00 C ATOM 770 OE1 GLU A 52 -16.214 0.855 -0.101 1.00 0.00 O ATOM 771 OE2 GLU A 52 -16.979 0.814 1.963 1.00 0.00 O ATOM 0 H GLU A 52 -14.272 -3.101 2.352 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.689 -0.917 2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.403 -1.179 3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.688 0.363 3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.506 -0.813 0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.842 -1.756 1.234 1.00 0.00 H new ATOM 778 N GLN A 53 -12.959 -1.682 5.250 1.00 0.00 N ATOM 779 CA GLN A 53 -12.474 -1.425 6.596 1.00 0.00 C ATOM 780 C GLN A 53 -10.951 -1.291 6.577 1.00 0.00 C ATOM 781 O GLN A 53 -10.409 -0.288 7.042 1.00 0.00 O ATOM 782 CB GLN A 53 -12.912 -2.570 7.532 1.00 0.00 C ATOM 783 CG GLN A 53 -14.420 -2.615 7.838 1.00 0.00 C ATOM 784 CD GLN A 53 -15.293 -3.053 6.655 1.00 0.00 C ATOM 785 OE1 GLN A 53 -15.725 -2.248 5.833 1.00 0.00 O ATOM 786 NE2 GLN A 53 -15.541 -4.337 6.493 1.00 0.00 N ATOM 0 H GLN A 53 -13.486 -2.552 5.173 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.898 -0.492 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.618 -3.519 7.083 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.368 -2.480 8.472 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.589 -3.297 8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -14.742 -1.626 8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.187 -5.014 7.169 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.087 -4.654 5.692 1.00 0.00 H new ATOM 795 N PHE A 54 -10.263 -2.282 6.008 1.00 0.00 N ATOM 796 CA PHE A 54 -8.814 -2.298 5.906 1.00 0.00 C ATOM 797 C PHE A 54 -8.353 -1.361 4.782 1.00 0.00 C ATOM 798 O PHE A 54 -7.398 -0.615 4.969 1.00 0.00 O ATOM 799 CB PHE A 54 -8.354 -3.744 5.699 1.00 0.00 C ATOM 800 CG PHE A 54 -6.910 -3.846 5.271 1.00 0.00 C ATOM 801 CD1 PHE A 54 -6.617 -3.865 3.903 1.00 0.00 C ATOM 802 CD2 PHE A 54 -5.867 -3.840 6.207 1.00 0.00 C ATOM 803 CE1 PHE A 54 -5.288 -3.887 3.449 1.00 0.00 C ATOM 804 CE2 PHE A 54 -4.539 -3.856 5.762 1.00 0.00 C ATOM 805 CZ PHE A 54 -4.243 -3.884 4.387 1.00 0.00 C ATOM 0 H PHE A 54 -10.708 -3.105 5.601 1.00 0.00 H new ATOM 0 HA PHE A 54 -8.358 -1.927 6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.493 -4.300 6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.985 -4.216 4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.424 -3.863 3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.086 -3.823 7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.072 -3.906 2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.734 -3.847 6.482 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.216 -3.903 4.054 1.00 0.00 H new ATOM 815 N ARG A 55 -9.044 -1.352 3.635 1.00 0.00 N ATOM 816 CA ARG A 55 -8.768 -0.528 2.454 1.00 0.00 C ATOM 817 C ARG A 55 -8.551 0.924 2.838 1.00 0.00 C ATOM 818 O ARG A 55 -7.626 1.547 2.321 1.00 0.00 O ATOM 819 CB ARG A 55 -9.929 -0.637 1.450 1.00 0.00 C ATOM 820 CG ARG A 55 -9.762 0.191 0.162 1.00 0.00 C ATOM 821 CD ARG A 55 -10.374 1.603 0.243 1.00 0.00 C ATOM 822 NE ARG A 55 -11.849 1.576 0.199 1.00 0.00 N ATOM 823 CZ ARG A 55 -12.671 2.532 0.660 1.00 0.00 C ATOM 824 NH1 ARG A 55 -12.206 3.632 1.244 1.00 0.00 N ATOM 825 NH2 ARG A 55 -13.981 2.403 0.519 1.00 0.00 N ATOM 0 H ARG A 55 -9.856 -1.954 3.500 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.854 -0.898 1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.054 -1.685 1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.848 -0.326 1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.700 0.279 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.223 -0.347 -0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.049 2.086 1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.999 2.207 -0.583 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.284 0.755 -0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.201 3.766 1.351 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.855 4.342 1.585 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.366 1.577 0.060 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.606 3.129 0.869 1.00 0.00 H new ATOM 839 N HIS A 56 -9.419 1.479 3.685 1.00 0.00 N ATOM 840 CA HIS A 56 -9.259 2.863 4.080 1.00 0.00 C ATOM 841 C HIS A 56 -7.939 3.052 4.819 1.00 0.00 C ATOM 842 O HIS A 56 -7.291 4.058 4.585 1.00 0.00 O ATOM 843 CB HIS A 56 -10.445 3.333 4.929 1.00 0.00 C ATOM 844 CG HIS A 56 -10.375 4.802 5.274 1.00 0.00 C ATOM 845 ND1 HIS A 56 -9.781 5.357 6.388 1.00 0.00 N ATOM 846 CD2 HIS A 56 -10.880 5.830 4.524 1.00 0.00 C ATOM 847 CE1 HIS A 56 -9.938 6.687 6.316 1.00 0.00 C ATOM 848 NE2 HIS A 56 -10.584 7.028 5.186 1.00 0.00 N ATOM 0 H HIS A 56 -10.219 0.999 4.098 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.237 3.479 3.181 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.372 3.135 4.391 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.480 2.750 5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -11.412 5.734 3.589 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.593 7.388 7.062 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.813 7.972 4.874 1.00 0.00 H new ATOM 856 N ALA A 57 -7.508 2.111 5.664 1.00 0.00 N ATOM 857 CA ALA A 57 -6.265 2.257 6.418 1.00 0.00 C ATOM 858 C ALA A 57 -5.043 2.340 5.513 1.00 0.00 C ATOM 859 O ALA A 57 -4.197 3.223 5.671 1.00 0.00 O ATOM 860 CB ALA A 57 -6.102 1.093 7.394 1.00 0.00 C ATOM 0 H ALA A 57 -8.005 1.238 5.842 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.333 3.196 6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.172 1.212 7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.942 1.080 8.089 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.075 0.155 6.840 1.00 0.00 H new ATOM 866 N ILE A 58 -4.929 1.397 4.576 1.00 0.00 N ATOM 867 CA ILE A 58 -3.815 1.354 3.654 1.00 0.00 C ATOM 868 C ILE A 58 -3.800 2.596 2.771 1.00 0.00 C ATOM 869 O ILE A 58 -2.785 3.295 2.708 1.00 0.00 O ATOM 870 CB ILE A 58 -3.848 0.046 2.821 1.00 0.00 C ATOM 871 CG1 ILE A 58 -2.818 0.165 1.681 1.00 0.00 C ATOM 872 CG2 ILE A 58 -5.210 -0.370 2.242 1.00 0.00 C ATOM 873 CD1 ILE A 58 -2.683 -1.090 0.838 1.00 0.00 C ATOM 0 H ILE A 58 -5.609 0.648 4.443 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.886 1.352 4.224 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.608 -0.748 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.101 0.996 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.845 0.410 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.099 -1.298 1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.921 -0.519 3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.577 0.412 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.940 -0.926 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.369 -1.921 1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.644 -1.326 0.380 1.00 0.00 H new ATOM 885 N TRP A 59 -4.922 2.860 2.102 1.00 0.00 N ATOM 886 CA TRP A 59 -5.006 3.984 1.191 1.00 0.00 C ATOM 887 C TRP A 59 -4.805 5.312 1.894 1.00 0.00 C ATOM 888 O TRP A 59 -3.982 6.121 1.465 1.00 0.00 O ATOM 889 CB TRP A 59 -6.310 3.936 0.404 1.00 0.00 C ATOM 890 CG TRP A 59 -6.209 4.612 -0.919 1.00 0.00 C ATOM 891 CD1 TRP A 59 -5.422 4.191 -1.930 1.00 0.00 C ATOM 892 CD2 TRP A 59 -6.877 5.809 -1.405 1.00 0.00 C ATOM 893 NE1 TRP A 59 -5.651 4.970 -3.044 1.00 0.00 N ATOM 894 CE2 TRP A 59 -6.583 5.955 -2.792 1.00 0.00 C ATOM 895 CE3 TRP A 59 -7.687 6.794 -0.809 1.00 0.00 C ATOM 896 CZ2 TRP A 59 -7.175 6.956 -3.577 1.00 0.00 C ATOM 897 CZ3 TRP A 59 -8.284 7.806 -1.586 1.00 0.00 C ATOM 898 CH2 TRP A 59 -8.051 7.872 -2.971 1.00 0.00 C ATOM 0 H TRP A 59 -5.777 2.310 2.178 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.184 3.899 0.480 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.601 2.896 0.255 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.100 4.407 0.989 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.721 3.371 -1.875 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -5.189 4.835 -3.943 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.853 6.774 0.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -6.960 7.021 -4.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.925 8.536 -1.115 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.544 8.625 -3.568 1.00 0.00 H new ATOM 909 N LYS A 60 -5.545 5.547 2.979 1.00 0.00 N ATOM 910 CA LYS A 60 -5.422 6.780 3.731 1.00 0.00 C ATOM 911 C LYS A 60 -3.996 6.934 4.212 1.00 0.00 C ATOM 912 O LYS A 60 -3.480 8.033 4.127 1.00 0.00 O ATOM 913 CB LYS A 60 -6.372 6.776 4.945 1.00 0.00 C ATOM 914 CG LYS A 60 -6.323 8.039 5.816 1.00 0.00 C ATOM 915 CD LYS A 60 -6.659 9.326 5.065 1.00 0.00 C ATOM 916 CE LYS A 60 -8.069 9.240 4.472 1.00 0.00 C ATOM 917 NZ LYS A 60 -8.502 10.519 3.888 1.00 0.00 N ATOM 0 H LYS A 60 -6.235 4.894 3.351 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.690 7.613 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.393 6.640 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.135 5.914 5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.020 7.923 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.326 8.132 6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.592 10.178 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.932 9.492 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.093 8.465 3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.771 8.941 5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.461 10.416 3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.504 11.254 4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.847 10.793 3.128 1.00 0.00 H new ATOM 931 N GLY A 61 -3.361 5.863 4.683 1.00 0.00 N ATOM 932 CA GLY A 61 -2.018 5.923 5.206 1.00 0.00 C ATOM 933 C GLY A 61 -1.021 6.360 4.164 1.00 0.00 C ATOM 934 O GLY A 61 -0.275 7.296 4.404 1.00 0.00 O ATOM 0 H GLY A 61 -3.774 4.931 4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.988 6.615 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.735 4.943 5.589 1.00 0.00 H new ATOM 938 N ILE A 62 -1.024 5.735 2.991 1.00 0.00 N ATOM 939 CA ILE A 62 -0.057 6.086 1.962 1.00 0.00 C ATOM 940 C ILE A 62 -0.327 7.461 1.386 1.00 0.00 C ATOM 941 O ILE A 62 0.616 8.224 1.187 1.00 0.00 O ATOM 942 CB ILE A 62 0.016 4.963 0.920 1.00 0.00 C ATOM 943 CG1 ILE A 62 1.464 4.679 0.458 1.00 0.00 C ATOM 944 CG2 ILE A 62 -0.968 5.029 -0.254 1.00 0.00 C ATOM 945 CD1 ILE A 62 2.203 5.844 -0.211 1.00 0.00 C ATOM 0 H ILE A 62 -1.676 4.994 2.733 1.00 0.00 H new ATOM 0 HA ILE A 62 0.937 6.168 2.402 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.344 4.101 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.043 4.358 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.443 3.841 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.807 4.175 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.989 5.006 0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.808 5.952 -0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.207 5.525 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.659 6.156 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.269 6.681 0.485 1.00 0.00 H new ATOM 957 N LEU A 63 -1.593 7.798 1.119 1.00 0.00 N ATOM 958 CA LEU A 63 -1.869 9.114 0.567 1.00 0.00 C ATOM 959 C LEU A 63 -1.525 10.167 1.618 1.00 0.00 C ATOM 960 O LEU A 63 -1.073 11.248 1.269 1.00 0.00 O ATOM 961 CB LEU A 63 -3.329 9.246 0.097 1.00 0.00 C ATOM 962 CG LEU A 63 -3.534 8.911 -1.395 1.00 0.00 C ATOM 963 CD1 LEU A 63 -3.257 7.446 -1.733 1.00 0.00 C ATOM 964 CD2 LEU A 63 -4.970 9.237 -1.802 1.00 0.00 C ATOM 0 H LEU A 63 -2.407 7.202 1.270 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.250 9.265 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.956 8.587 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.670 10.265 0.282 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.815 9.517 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.421 7.281 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.224 7.204 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.929 6.807 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.112 9.000 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.662 8.647 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.162 10.298 -1.640 1.00 0.00 H new ATOM 976 N ASP A 64 -1.743 9.879 2.896 1.00 0.00 N ATOM 977 CA ASP A 64 -1.468 10.833 3.982 1.00 0.00 C ATOM 978 C ASP A 64 0.030 11.001 4.200 1.00 0.00 C ATOM 979 O ASP A 64 0.514 12.104 4.425 1.00 0.00 O ATOM 980 CB ASP A 64 -2.142 10.340 5.266 1.00 0.00 C ATOM 981 CG ASP A 64 -1.956 11.223 6.492 1.00 0.00 C ATOM 982 OD1 ASP A 64 -1.839 10.631 7.593 1.00 0.00 O ATOM 983 OD2 ASP A 64 -2.205 12.448 6.426 1.00 0.00 O ATOM 0 H ASP A 64 -2.114 8.984 3.215 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.872 11.807 3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.210 10.235 5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.760 9.346 5.496 1.00 0.00 H new ATOM 988 N HIS A 65 0.761 9.900 4.085 1.00 0.00 N ATOM 989 CA HIS A 65 2.191 9.776 4.260 1.00 0.00 C ATOM 990 C HIS A 65 2.894 10.543 3.164 1.00 0.00 C ATOM 991 O HIS A 65 3.695 11.424 3.462 1.00 0.00 O ATOM 992 CB HIS A 65 2.581 8.294 4.235 1.00 0.00 C ATOM 993 CG HIS A 65 4.055 8.041 4.364 1.00 0.00 C ATOM 994 ND1 HIS A 65 4.879 8.514 5.359 1.00 0.00 N ATOM 995 CD2 HIS A 65 4.794 7.239 3.541 1.00 0.00 C ATOM 996 CE1 HIS A 65 6.097 7.988 5.151 1.00 0.00 C ATOM 997 NE2 HIS A 65 6.087 7.193 4.066 1.00 0.00 N ATOM 0 H HIS A 65 0.331 9.006 3.849 1.00 0.00 H new ATOM 0 HA HIS A 65 2.491 10.193 5.222 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.064 7.781 5.045 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.229 7.853 3.302 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.444 6.736 2.652 1.00 0.00 H new ATOM 0 HE1 HIS A 65 6.963 8.177 5.768 1.00 0.00 H new ATOM 0 HE2 HIS A 65 6.874 6.659 3.697 1.00 0.00 H new ATOM 1005 N ARG A 66 2.599 10.235 1.895 1.00 0.00 N ATOM 1006 CA ARG A 66 3.241 10.947 0.802 1.00 0.00 C ATOM 1007 C ARG A 66 2.809 12.411 0.832 1.00 0.00 C ATOM 1008 O ARG A 66 3.596 13.277 0.447 1.00 0.00 O ATOM 1009 CB ARG A 66 3.015 10.227 -0.542 1.00 0.00 C ATOM 1010 CG ARG A 66 1.572 10.217 -1.078 1.00 0.00 C ATOM 1011 CD ARG A 66 1.239 11.396 -1.994 1.00 0.00 C ATOM 1012 NE ARG A 66 1.937 11.311 -3.286 1.00 0.00 N ATOM 1013 CZ ARG A 66 2.272 12.344 -4.068 1.00 0.00 C ATOM 1014 NH1 ARG A 66 1.872 13.586 -3.798 1.00 0.00 N ATOM 1015 NH2 ARG A 66 2.984 12.136 -5.166 1.00 0.00 N ATOM 0 H ARG A 66 1.935 9.514 1.611 1.00 0.00 H new ATOM 0 HA ARG A 66 4.324 10.944 0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.655 10.693 -1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.348 9.194 -0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.405 9.288 -1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.882 10.220 -0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.163 11.428 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.510 12.328 -1.497 1.00 0.00 H new ATOM 0 HE ARG A 66 2.189 10.379 -3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.295 13.769 -2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.143 14.354 -4.412 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.275 11.190 -5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.241 12.922 -5.764 1.00 0.00 H new ATOM 1029 N GLN A 67 1.584 12.721 1.293 1.00 0.00 N ATOM 1030 CA GLN A 67 1.180 14.126 1.326 1.00 0.00 C ATOM 1031 C GLN A 67 1.864 14.891 2.482 1.00 0.00 C ATOM 1032 O GLN A 67 2.133 16.086 2.329 1.00 0.00 O ATOM 1033 CB GLN A 67 -0.349 14.249 1.336 1.00 0.00 C ATOM 1034 CG GLN A 67 -0.996 13.814 -0.002 1.00 0.00 C ATOM 1035 CD GLN A 67 -0.957 14.849 -1.119 1.00 0.00 C ATOM 1036 OE1 GLN A 67 -0.140 14.769 -2.042 1.00 0.00 O ATOM 1037 NE2 GLN A 67 -1.881 15.792 -1.098 1.00 0.00 N ATOM 0 H GLN A 67 0.892 12.052 1.631 1.00 0.00 H new ATOM 0 HA GLN A 67 1.527 14.608 0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.752 13.639 2.144 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.624 15.282 1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.495 12.911 -0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.036 13.549 0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.545 15.838 -0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.931 16.474 -1.855 1.00 0.00 H new ATOM 1046 N LEU A 68 2.200 14.244 3.607 1.00 0.00 N ATOM 1047 CA LEU A 68 2.846 14.879 4.763 1.00 0.00 C ATOM 1048 C LEU A 68 4.370 14.872 4.688 1.00 0.00 C ATOM 1049 O LEU A 68 4.975 15.904 4.981 1.00 0.00 O ATOM 1050 CB LEU A 68 2.450 14.171 6.074 1.00 0.00 C ATOM 1051 CG LEU A 68 1.030 14.484 6.577 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.705 13.546 7.745 1.00 0.00 C ATOM 1053 CD2 LEU A 68 0.890 15.944 7.033 1.00 0.00 C ATOM 0 H LEU A 68 2.027 13.248 3.741 1.00 0.00 H new ATOM 0 HA LEU A 68 2.498 15.912 4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.539 13.094 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.164 14.449 6.850 1.00 0.00 H new ATOM 0 HG LEU A 68 0.333 14.332 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.299 13.757 8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.758 12.511 7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.425 13.702 8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.128 16.121 7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.590 16.140 7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.109 16.609 6.197 1.00 0.00 H new ATOM 1065 N HIS A 69 4.980 13.737 4.338 1.00 0.00 N ATOM 1066 CA HIS A 69 6.417 13.485 4.225 1.00 0.00 C ATOM 1067 C HIS A 69 7.178 14.080 5.424 1.00 0.00 C ATOM 1068 O HIS A 69 8.188 14.770 5.300 1.00 0.00 O ATOM 1069 CB HIS A 69 6.881 13.934 2.840 1.00 0.00 C ATOM 1070 CG HIS A 69 8.276 13.496 2.458 1.00 0.00 C ATOM 1071 ND1 HIS A 69 8.852 12.269 2.703 1.00 0.00 N ATOM 1072 CD2 HIS A 69 9.175 14.228 1.735 1.00 0.00 C ATOM 1073 CE1 HIS A 69 10.068 12.263 2.134 1.00 0.00 C ATOM 1074 NE2 HIS A 69 10.322 13.445 1.546 1.00 0.00 N ATOM 0 H HIS A 69 4.437 12.904 4.108 1.00 0.00 H new ATOM 0 HA HIS A 69 6.647 12.421 4.288 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.181 13.551 2.098 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.833 15.022 2.793 1.00 0.00 H new ATOM 0 HD2 HIS A 69 9.027 15.235 1.372 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.748 11.424 2.147 1.00 0.00 H new ATOM 0 HE2 HIS A 69 11.177 13.717 1.060 1.00 0.00 H new ATOM 1082 N ASP A 70 6.607 13.859 6.606 1.00 0.00 N ATOM 1083 CA ASP A 70 7.090 14.308 7.905 1.00 0.00 C ATOM 1084 C ASP A 70 8.294 13.517 8.376 1.00 0.00 C ATOM 1085 O ASP A 70 8.997 13.983 9.293 1.00 0.00 O ATOM 1086 CB ASP A 70 5.969 14.159 8.938 1.00 0.00 C ATOM 1087 CG ASP A 70 5.750 12.715 9.400 1.00 0.00 C ATOM 1088 OD1 ASP A 70 5.975 12.419 10.598 1.00 0.00 O ATOM 1089 OD2 ASP A 70 5.341 11.867 8.571 1.00 0.00 O ATOM 0 H ASP A 70 5.740 13.328 6.684 1.00 0.00 H new ATOM 0 HA ASP A 70 7.392 15.350 7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.200 14.778 9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.041 14.540 8.512 1.00 0.00 H new TER 1094 ASP A 70