USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.577 (180deg=0.0348!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.891 X(o=-0.89,f=-0.97) USER MOD Single : A 28 LYS NZ :NH3+ 147:sc= -0.805 (180deg=-2.22!) USER MOD Single : A 29 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-3.6) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.57! C(o=-2.6!,f=-5.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 62 GLN : amide:sc= -1.07 X(o=-1.1,f=-1) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -115:sc= -0.127 (180deg=-0.344) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= -0.0243 (180deg=-0.468) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.872 -13.024 -12.660 1.00 0.00 N ATOM 2 CA MET A 1 4.547 -13.005 -13.343 1.00 0.00 C ATOM 3 C MET A 1 3.476 -13.465 -12.363 1.00 0.00 C ATOM 4 O MET A 1 3.628 -14.489 -11.698 1.00 0.00 O ATOM 5 CB MET A 1 4.584 -13.940 -14.559 1.00 0.00 C ATOM 6 CG MET A 1 5.581 -13.413 -15.600 1.00 0.00 C ATOM 7 SD MET A 1 7.270 -13.703 -15.018 1.00 0.00 S ATOM 8 CE MET A 1 8.125 -12.926 -16.409 1.00 0.00 C ATOM 0 H1 MET A 1 6.627 -13.115 -13.369 1.00 0.00 H new ATOM 0 H2 MET A 1 6.001 -12.139 -12.129 1.00 0.00 H new ATOM 0 H3 MET A 1 5.913 -13.831 -12.005 1.00 0.00 H new ATOM 0 HA MET A 1 4.318 -11.994 -13.681 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.870 -14.944 -14.247 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.590 -14.014 -15.001 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.423 -13.913 -16.556 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.420 -12.348 -15.767 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.202 -12.991 -16.256 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.858 -13.439 -17.333 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.831 -11.879 -16.478 1.00 0.00 H new ATOM 20 N GLU A 2 2.392 -12.696 -12.271 1.00 0.00 N ATOM 21 CA GLU A 2 1.298 -13.029 -11.359 1.00 0.00 C ATOM 22 C GLU A 2 1.842 -13.361 -9.964 1.00 0.00 C ATOM 23 O GLU A 2 1.581 -14.438 -9.430 1.00 0.00 O ATOM 24 CB GLU A 2 0.510 -14.219 -11.913 1.00 0.00 C ATOM 25 CG GLU A 2 0.114 -13.928 -13.361 1.00 0.00 C ATOM 26 CD GLU A 2 -0.764 -15.049 -13.902 1.00 0.00 C ATOM 27 OE1 GLU A 2 -0.267 -16.156 -14.028 1.00 0.00 O ATOM 28 OE2 GLU A 2 -1.921 -14.786 -14.182 1.00 0.00 O ATOM 0 H GLU A 2 2.248 -11.844 -12.813 1.00 0.00 H new ATOM 0 HA GLU A 2 0.636 -12.167 -11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.114 -15.125 -11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.380 -14.395 -11.308 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.420 -12.979 -13.416 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.008 -13.827 -13.977 1.00 0.00 H new ATOM 35 N PRO A 3 2.597 -12.456 -9.372 1.00 0.00 N ATOM 36 CA PRO A 3 3.194 -12.666 -8.018 1.00 0.00 C ATOM 37 C PRO A 3 2.131 -12.645 -6.920 1.00 0.00 C ATOM 38 O PRO A 3 1.081 -12.019 -7.070 1.00 0.00 O ATOM 39 CB PRO A 3 4.193 -11.499 -7.883 1.00 0.00 C ATOM 40 CG PRO A 3 3.591 -10.412 -8.713 1.00 0.00 C ATOM 41 CD PRO A 3 2.958 -11.129 -9.919 1.00 0.00 C ATOM 0 HA PRO A 3 3.672 -13.640 -7.911 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.309 -11.191 -6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.183 -11.777 -8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.843 -9.854 -8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.348 -9.696 -9.033 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.083 -10.595 -10.291 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.658 -11.213 -10.750 1.00 0.00 H new ATOM 49 N THR A 4 2.415 -13.335 -5.816 1.00 0.00 N ATOM 50 CA THR A 4 1.485 -13.401 -4.687 1.00 0.00 C ATOM 51 C THR A 4 2.252 -13.635 -3.389 1.00 0.00 C ATOM 52 O THR A 4 1.771 -14.314 -2.482 1.00 0.00 O ATOM 53 CB THR A 4 0.474 -14.542 -4.889 1.00 0.00 C ATOM 54 OG1 THR A 4 1.172 -15.764 -5.069 1.00 0.00 O ATOM 55 CG2 THR A 4 -0.403 -14.271 -6.121 1.00 0.00 C ATOM 0 H THR A 4 3.281 -13.856 -5.678 1.00 0.00 H new ATOM 0 HA THR A 4 0.950 -12.453 -4.629 1.00 0.00 H new ATOM 0 HB THR A 4 -0.165 -14.605 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.529 -16.492 -5.196 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.113 -15.088 -6.249 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.947 -13.337 -5.982 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.227 -14.196 -7.007 1.00 0.00 H new ATOM 63 N ALA A 5 3.451 -13.060 -3.310 1.00 0.00 N ATOM 64 CA ALA A 5 4.288 -13.201 -2.119 1.00 0.00 C ATOM 65 C ALA A 5 5.392 -12.149 -2.117 1.00 0.00 C ATOM 66 O ALA A 5 5.782 -11.651 -1.061 1.00 0.00 O ATOM 67 CB ALA A 5 4.915 -14.595 -2.073 1.00 0.00 C ATOM 0 H ALA A 5 3.863 -12.495 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 5 3.658 -13.060 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.535 -14.686 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.127 -15.348 -2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.530 -14.747 -2.960 1.00 0.00 H new ATOM 73 N PHE A 6 5.899 -11.815 -3.303 1.00 0.00 N ATOM 74 CA PHE A 6 6.966 -10.821 -3.413 1.00 0.00 C ATOM 75 C PHE A 6 8.109 -11.158 -2.452 1.00 0.00 C ATOM 76 O PHE A 6 8.112 -12.219 -1.826 1.00 0.00 O ATOM 77 CB PHE A 6 6.403 -9.424 -3.098 1.00 0.00 C ATOM 78 CG PHE A 6 5.527 -8.947 -4.245 1.00 0.00 C ATOM 79 CD1 PHE A 6 4.237 -9.466 -4.397 1.00 0.00 C ATOM 80 CD2 PHE A 6 6.004 -7.986 -5.155 1.00 0.00 C ATOM 81 CE1 PHE A 6 3.423 -9.029 -5.452 1.00 0.00 C ATOM 82 CE2 PHE A 6 5.190 -7.551 -6.208 1.00 0.00 C ATOM 83 CZ PHE A 6 3.900 -8.072 -6.355 1.00 0.00 C ATOM 0 H PHE A 6 5.593 -12.212 -4.191 1.00 0.00 H new ATOM 0 HA PHE A 6 7.357 -10.830 -4.430 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.823 -9.456 -2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.220 -8.721 -2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.867 -10.204 -3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.000 -7.583 -5.041 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.427 -9.431 -5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.558 -6.814 -6.906 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.272 -7.735 -7.166 1.00 0.00 H new ATOM 93 N SER A 7 9.076 -10.246 -2.350 1.00 0.00 N ATOM 94 CA SER A 7 10.238 -10.437 -1.473 1.00 0.00 C ATOM 95 C SER A 7 10.500 -9.175 -0.660 1.00 0.00 C ATOM 96 O SER A 7 9.627 -8.320 -0.522 1.00 0.00 O ATOM 97 CB SER A 7 11.469 -10.767 -2.316 1.00 0.00 C ATOM 98 OG SER A 7 11.170 -11.860 -3.174 1.00 0.00 O ATOM 0 H SER A 7 9.080 -9.365 -2.864 1.00 0.00 H new ATOM 0 HA SER A 7 10.031 -11.261 -0.790 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.765 -9.898 -2.904 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.311 -11.016 -1.670 1.00 0.00 H new ATOM 0 HG SER A 7 11.957 -12.074 -3.718 1.00 0.00 H new ATOM 104 N GLY A 8 11.713 -9.067 -0.118 1.00 0.00 N ATOM 105 CA GLY A 8 12.097 -7.906 0.689 1.00 0.00 C ATOM 106 C GLY A 8 12.638 -6.780 -0.188 1.00 0.00 C ATOM 107 O GLY A 8 12.532 -5.603 0.162 1.00 0.00 O ATOM 0 H GLY A 8 12.447 -9.768 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.234 -7.550 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.854 -8.200 1.417 1.00 0.00 H new ATOM 111 N SER A 9 13.220 -7.148 -1.327 1.00 0.00 N ATOM 112 CA SER A 9 13.781 -6.164 -2.254 1.00 0.00 C ATOM 113 C SER A 9 12.676 -5.481 -3.048 1.00 0.00 C ATOM 114 O SER A 9 12.929 -4.525 -3.781 1.00 0.00 O ATOM 115 CB SER A 9 14.750 -6.847 -3.218 1.00 0.00 C ATOM 116 OG SER A 9 15.825 -7.412 -2.480 1.00 0.00 O ATOM 0 H SER A 9 13.316 -8.117 -1.631 1.00 0.00 H new ATOM 0 HA SER A 9 14.314 -5.412 -1.672 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.233 -7.623 -3.782 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.130 -6.126 -3.942 1.00 0.00 H new ATOM 0 HG SER A 9 16.448 -7.853 -3.095 1.00 0.00 H new ATOM 122 N ASP A 10 11.449 -5.976 -2.903 1.00 0.00 N ATOM 123 CA ASP A 10 10.321 -5.394 -3.619 1.00 0.00 C ATOM 124 C ASP A 10 10.039 -3.997 -3.091 1.00 0.00 C ATOM 125 O ASP A 10 10.205 -3.738 -1.898 1.00 0.00 O ATOM 126 CB ASP A 10 9.068 -6.257 -3.442 1.00 0.00 C ATOM 127 CG ASP A 10 8.652 -6.299 -1.970 1.00 0.00 C ATOM 128 OD1 ASP A 10 9.459 -5.927 -1.135 1.00 0.00 O ATOM 129 OD2 ASP A 10 7.529 -6.694 -1.704 1.00 0.00 O ATOM 0 H ASP A 10 11.214 -6.768 -2.304 1.00 0.00 H new ATOM 0 HA ASP A 10 10.576 -5.346 -4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.254 -5.855 -4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.261 -7.268 -3.801 1.00 0.00 H new ATOM 134 N VAL A 11 9.595 -3.098 -3.978 1.00 0.00 N ATOM 135 CA VAL A 11 9.279 -1.717 -3.585 1.00 0.00 C ATOM 136 C VAL A 11 7.888 -1.306 -4.109 1.00 0.00 C ATOM 137 O VAL A 11 7.609 -1.464 -5.300 1.00 0.00 O ATOM 138 CB VAL A 11 10.344 -0.758 -4.136 1.00 0.00 C ATOM 139 CG1 VAL A 11 11.696 -1.079 -3.486 1.00 0.00 C ATOM 140 CG2 VAL A 11 10.460 -0.895 -5.668 1.00 0.00 C ATOM 0 H VAL A 11 9.447 -3.299 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 11 9.272 -1.663 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 11 10.052 0.266 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.456 -0.401 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.618 -0.957 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.975 -2.107 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.220 -0.207 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.741 -1.917 -5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.501 -0.658 -6.128 1.00 0.00 H new ATOM 150 N PRO A 12 6.999 -0.789 -3.267 1.00 0.00 N ATOM 151 CA PRO A 12 5.633 -0.373 -3.719 1.00 0.00 C ATOM 152 C PRO A 12 5.667 0.973 -4.456 1.00 0.00 C ATOM 153 O PRO A 12 6.450 1.858 -4.113 1.00 0.00 O ATOM 154 CB PRO A 12 4.836 -0.283 -2.404 1.00 0.00 C ATOM 155 CG PRO A 12 5.851 0.122 -1.378 1.00 0.00 C ATOM 156 CD PRO A 12 7.172 -0.545 -1.812 1.00 0.00 C ATOM 0 HA PRO A 12 5.192 -1.068 -4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.031 0.449 -2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.376 -1.239 -2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.955 1.206 -1.337 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.554 -0.208 -0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.027 0.102 -1.616 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.345 -1.475 -1.270 1.00 0.00 H new ATOM 164 N ARG A 13 4.802 1.124 -5.458 1.00 0.00 N ATOM 165 CA ARG A 13 4.729 2.370 -6.223 1.00 0.00 C ATOM 166 C ARG A 13 3.368 2.488 -6.894 1.00 0.00 C ATOM 167 O ARG A 13 2.954 1.598 -7.640 1.00 0.00 O ATOM 168 CB ARG A 13 5.840 2.409 -7.271 1.00 0.00 C ATOM 169 CG ARG A 13 5.812 3.754 -7.999 1.00 0.00 C ATOM 170 CD ARG A 13 6.962 3.811 -8.998 1.00 0.00 C ATOM 171 NE ARG A 13 7.021 5.135 -9.609 1.00 0.00 N ATOM 172 CZ ARG A 13 6.227 5.463 -10.626 1.00 0.00 C ATOM 173 NH1 ARG A 13 6.308 6.651 -11.157 1.00 0.00 N ATOM 174 NH2 ARG A 13 5.362 4.599 -11.084 1.00 0.00 N ATOM 0 H ARG A 13 4.145 0.404 -5.759 1.00 0.00 H new ATOM 0 HA ARG A 13 4.861 3.212 -5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.809 2.262 -6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.710 1.595 -7.984 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.860 3.881 -8.515 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.897 4.570 -7.282 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.904 3.590 -8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.825 3.051 -9.767 1.00 0.00 H new ATOM 0 HE ARG A 13 7.683 5.822 -9.250 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.979 7.328 -10.793 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.700 6.904 -11.936 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.294 3.673 -10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.754 4.850 -11.863 1.00 0.00 H new ATOM 188 N LEU A 14 2.667 3.582 -6.623 1.00 0.00 N ATOM 189 CA LEU A 14 1.347 3.790 -7.199 1.00 0.00 C ATOM 190 C LEU A 14 1.438 4.033 -8.718 1.00 0.00 C ATOM 191 O LEU A 14 2.082 4.993 -9.150 1.00 0.00 O ATOM 192 CB LEU A 14 0.669 4.982 -6.517 1.00 0.00 C ATOM 193 CG LEU A 14 0.795 4.858 -4.987 1.00 0.00 C ATOM 194 CD1 LEU A 14 0.039 6.017 -4.326 1.00 0.00 C ATOM 195 CD2 LEU A 14 0.209 3.514 -4.498 1.00 0.00 C ATOM 0 H LEU A 14 2.989 4.333 -6.012 1.00 0.00 H new ATOM 0 HA LEU A 14 0.753 2.891 -7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.127 5.912 -6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.383 5.024 -6.801 1.00 0.00 H new ATOM 0 HG LEU A 14 1.850 4.895 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.124 5.936 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.467 6.964 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.012 5.976 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.308 3.447 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.845 3.456 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.750 2.690 -4.964 1.00 0.00 H new ATOM 207 N PRO A 15 0.824 3.200 -9.549 1.00 0.00 N ATOM 208 CA PRO A 15 0.881 3.382 -11.028 1.00 0.00 C ATOM 209 C PRO A 15 -0.050 4.498 -11.497 1.00 0.00 C ATOM 210 O PRO A 15 -0.961 4.904 -10.779 1.00 0.00 O ATOM 211 CB PRO A 15 0.459 2.006 -11.577 1.00 0.00 C ATOM 212 CG PRO A 15 -0.487 1.466 -10.550 1.00 0.00 C ATOM 213 CD PRO A 15 0.013 2.007 -9.196 1.00 0.00 C ATOM 0 HA PRO A 15 1.867 3.686 -11.379 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.022 2.098 -12.551 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.320 1.350 -11.708 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.508 1.792 -10.749 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.493 0.376 -10.558 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.819 2.271 -8.543 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.610 1.264 -8.667 1.00 0.00 H new ATOM 221 N ARG A 16 0.190 4.987 -12.708 1.00 0.00 N ATOM 222 CA ARG A 16 -0.630 6.052 -13.267 1.00 0.00 C ATOM 223 C ARG A 16 -2.096 5.641 -13.261 1.00 0.00 C ATOM 224 O ARG A 16 -2.424 4.479 -13.500 1.00 0.00 O ATOM 225 CB ARG A 16 -0.183 6.352 -14.701 1.00 0.00 C ATOM 226 CG ARG A 16 -0.977 7.539 -15.258 1.00 0.00 C ATOM 227 CD ARG A 16 -0.478 7.876 -16.663 1.00 0.00 C ATOM 228 NE ARG A 16 -1.119 9.102 -17.136 1.00 0.00 N ATOM 229 CZ ARG A 16 -2.340 9.088 -17.671 1.00 0.00 C ATOM 230 NH1 ARG A 16 -2.881 10.200 -18.086 1.00 0.00 N ATOM 231 NH2 ARG A 16 -2.996 7.964 -17.773 1.00 0.00 N ATOM 0 H ARG A 16 0.941 4.665 -13.318 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.510 6.948 -12.657 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.884 6.576 -14.719 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.335 5.475 -15.330 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.039 7.297 -15.287 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.864 8.404 -14.604 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.605 8.001 -16.654 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.698 7.054 -17.344 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.621 9.988 -17.055 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.370 11.079 -18.001 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.815 10.191 -18.496 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.574 7.096 -17.443 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.930 7.954 -18.182 1.00 0.00 H new ATOM 245 N GLY A 17 -2.975 6.604 -12.992 1.00 0.00 N ATOM 246 CA GLY A 17 -4.414 6.345 -12.961 1.00 0.00 C ATOM 247 C GLY A 17 -4.855 5.847 -11.588 1.00 0.00 C ATOM 248 O GLY A 17 -6.000 5.426 -11.407 1.00 0.00 O ATOM 0 H GLY A 17 -2.717 7.570 -12.792 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.956 7.257 -13.211 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.669 5.604 -13.719 1.00 0.00 H new ATOM 252 N VAL A 18 -3.939 5.905 -10.617 1.00 0.00 N ATOM 253 CA VAL A 18 -4.229 5.472 -9.243 1.00 0.00 C ATOM 254 C VAL A 18 -3.699 6.498 -8.247 1.00 0.00 C ATOM 255 O VAL A 18 -2.514 6.836 -8.257 1.00 0.00 O ATOM 256 CB VAL A 18 -3.576 4.114 -8.978 1.00 0.00 C ATOM 257 CG1 VAL A 18 -3.924 3.639 -7.565 1.00 0.00 C ATOM 258 CG2 VAL A 18 -4.090 3.103 -10.003 1.00 0.00 C ATOM 0 H VAL A 18 -2.988 6.248 -10.755 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.309 5.383 -9.122 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.493 4.206 -9.065 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.457 2.672 -7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.558 4.363 -6.837 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.006 3.544 -7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.629 2.133 -9.820 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.173 3.013 -9.914 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.836 3.442 -11.007 1.00 0.00 H new ATOM 268 N ARG A 19 -4.589 6.987 -7.381 1.00 0.00 N ATOM 269 CA ARG A 19 -4.226 7.975 -6.360 1.00 0.00 C ATOM 270 C ARG A 19 -4.942 7.662 -5.054 1.00 0.00 C ATOM 271 O ARG A 19 -5.972 6.988 -5.046 1.00 0.00 O ATOM 272 CB ARG A 19 -4.594 9.385 -6.834 1.00 0.00 C ATOM 273 CG ARG A 19 -3.727 9.761 -8.038 1.00 0.00 C ATOM 274 CD ARG A 19 -4.094 11.161 -8.515 1.00 0.00 C ATOM 275 NE ARG A 19 -3.775 12.137 -7.483 1.00 0.00 N ATOM 276 CZ ARG A 19 -4.071 13.421 -7.636 1.00 0.00 C ATOM 277 NH1 ARG A 19 -3.780 14.274 -6.694 1.00 0.00 N ATOM 278 NH2 ARG A 19 -4.650 13.830 -8.731 1.00 0.00 N ATOM 0 H ARG A 19 -5.572 6.714 -7.366 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.150 7.929 -6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.649 9.425 -7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.445 10.102 -6.027 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.672 9.724 -7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.874 9.041 -8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.551 11.396 -9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.157 11.206 -8.754 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.315 11.828 -6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.325 13.954 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.008 15.261 -6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.875 13.163 -9.469 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.878 14.817 -8.849 1.00 0.00 H new ATOM 292 N LEU A 20 -4.383 8.150 -3.950 1.00 0.00 N ATOM 293 CA LEU A 20 -4.962 7.920 -2.624 1.00 0.00 C ATOM 294 C LEU A 20 -5.916 9.051 -2.272 1.00 0.00 C ATOM 295 O LEU A 20 -5.637 10.222 -2.537 1.00 0.00 O ATOM 296 CB LEU A 20 -3.841 7.853 -1.578 1.00 0.00 C ATOM 297 CG LEU A 20 -2.773 6.837 -2.008 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.669 6.789 -0.944 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.392 5.434 -2.193 1.00 0.00 C ATOM 0 H LEU A 20 -3.529 8.708 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.510 6.978 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.389 8.837 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.254 7.570 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.351 7.148 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.907 6.069 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.217 7.776 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.098 6.488 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.616 4.731 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.832 5.103 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.165 5.476 -2.960 1.00 0.00 H new ATOM 311 N ARG A 21 -7.055 8.691 -1.680 1.00 0.00 N ATOM 312 CA ARG A 21 -8.073 9.671 -1.294 1.00 0.00 C ATOM 313 C ARG A 21 -8.703 9.287 0.034 1.00 0.00 C ATOM 314 O ARG A 21 -8.782 8.106 0.379 1.00 0.00 O ATOM 315 CB ARG A 21 -9.167 9.741 -2.361 1.00 0.00 C ATOM 316 CG ARG A 21 -8.570 10.236 -3.679 1.00 0.00 C ATOM 317 CD ARG A 21 -9.680 10.377 -4.719 1.00 0.00 C ATOM 318 NE ARG A 21 -10.607 11.431 -4.323 1.00 0.00 N ATOM 319 CZ ARG A 21 -11.701 11.689 -5.031 1.00 0.00 C ATOM 320 NH1 ARG A 21 -12.502 12.650 -4.661 1.00 0.00 N ATOM 321 NH2 ARG A 21 -11.977 10.980 -6.089 1.00 0.00 N ATOM 0 H ARG A 21 -7.297 7.726 -1.456 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.590 10.643 -1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.616 8.758 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.963 10.411 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.074 11.195 -3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.812 9.537 -4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.249 10.608 -5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.214 9.432 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.412 11.981 -3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.288 13.201 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.343 12.850 -5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.353 10.226 -6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.817 11.179 -6.632 1.00 0.00 H new ATOM 335 N PHE A 22 -9.155 10.298 0.773 1.00 0.00 N ATOM 336 CA PHE A 22 -9.795 10.088 2.073 1.00 0.00 C ATOM 337 C PHE A 22 -11.312 10.183 1.929 1.00 0.00 C ATOM 338 O PHE A 22 -11.852 11.248 1.631 1.00 0.00 O ATOM 339 CB PHE A 22 -9.299 11.153 3.065 1.00 0.00 C ATOM 340 CG PHE A 22 -10.030 11.002 4.388 1.00 0.00 C ATOM 341 CD1 PHE A 22 -9.782 9.883 5.186 1.00 0.00 C ATOM 342 CD2 PHE A 22 -10.961 11.969 4.810 1.00 0.00 C ATOM 343 CE1 PHE A 22 -10.455 9.722 6.401 1.00 0.00 C ATOM 344 CE2 PHE A 22 -11.632 11.809 6.028 1.00 0.00 C ATOM 345 CZ PHE A 22 -11.381 10.685 6.822 1.00 0.00 C ATOM 0 H PHE A 22 -9.090 11.277 0.493 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.537 9.097 2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.225 11.049 3.218 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.467 12.150 2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.068 9.140 4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.158 12.834 4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.261 8.855 7.015 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -12.343 12.553 6.355 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.901 10.560 7.760 1.00 0.00 H new ATOM 355 N ASP A 23 -11.993 9.060 2.160 1.00 0.00 N ATOM 356 CA ASP A 23 -13.454 9.013 2.075 1.00 0.00 C ATOM 357 C ASP A 23 -14.054 9.337 3.439 1.00 0.00 C ATOM 358 O ASP A 23 -14.134 8.476 4.318 1.00 0.00 O ATOM 359 CB ASP A 23 -13.900 7.615 1.624 1.00 0.00 C ATOM 360 CG ASP A 23 -13.582 7.411 0.145 1.00 0.00 C ATOM 361 OD1 ASP A 23 -12.756 8.146 -0.372 1.00 0.00 O ATOM 362 OD2 ASP A 23 -14.181 6.531 -0.452 1.00 0.00 O ATOM 0 H ASP A 23 -11.557 8.171 2.407 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.800 9.748 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.395 6.855 2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.970 7.495 1.793 1.00 0.00 H new ATOM 367 N GLU A 24 -14.477 10.582 3.605 1.00 0.00 N ATOM 368 CA GLU A 24 -15.070 11.018 4.860 1.00 0.00 C ATOM 369 C GLU A 24 -16.282 10.161 5.189 1.00 0.00 C ATOM 370 O GLU A 24 -16.597 9.935 6.357 1.00 0.00 O ATOM 371 CB GLU A 24 -15.495 12.488 4.742 1.00 0.00 C ATOM 372 CG GLU A 24 -16.112 12.965 6.062 1.00 0.00 C ATOM 373 CD GLU A 24 -16.346 14.475 6.022 1.00 0.00 C ATOM 374 OE1 GLU A 24 -16.288 15.038 4.940 1.00 0.00 O ATOM 375 OE2 GLU A 24 -16.575 15.045 7.075 1.00 0.00 O ATOM 0 H GLU A 24 -14.421 11.306 2.888 1.00 0.00 H new ATOM 0 HA GLU A 24 -14.335 10.914 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.632 13.105 4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -16.216 12.603 3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.055 12.448 6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.451 12.714 6.892 1.00 0.00 H new ATOM 382 N VAL A 25 -16.963 9.702 4.149 1.00 0.00 N ATOM 383 CA VAL A 25 -18.154 8.880 4.330 1.00 0.00 C ATOM 384 C VAL A 25 -17.788 7.548 4.972 1.00 0.00 C ATOM 385 O VAL A 25 -18.482 7.064 5.863 1.00 0.00 O ATOM 386 CB VAL A 25 -18.861 8.624 2.964 1.00 0.00 C ATOM 387 CG1 VAL A 25 -20.381 8.557 3.162 1.00 0.00 C ATOM 388 CG2 VAL A 25 -18.524 9.753 1.973 1.00 0.00 C ATOM 0 H VAL A 25 -16.715 9.882 3.176 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.838 9.418 4.986 1.00 0.00 H new ATOM 0 HB VAL A 25 -18.507 7.675 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.865 8.378 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -20.623 7.745 3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -20.736 9.500 3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -19.023 9.564 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -18.864 10.706 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.446 9.789 1.816 1.00 0.00 H new ATOM 398 N ARG A 26 -16.702 6.946 4.490 1.00 0.00 N ATOM 399 CA ARG A 26 -16.265 5.654 5.004 1.00 0.00 C ATOM 400 C ARG A 26 -15.407 5.843 6.249 1.00 0.00 C ATOM 401 O ARG A 26 -15.188 4.906 7.015 1.00 0.00 O ATOM 402 CB ARG A 26 -15.458 4.924 3.942 1.00 0.00 C ATOM 403 CG ARG A 26 -16.280 4.798 2.661 1.00 0.00 C ATOM 404 CD ARG A 26 -15.442 4.092 1.595 1.00 0.00 C ATOM 405 NE ARG A 26 -16.191 4.002 0.347 1.00 0.00 N ATOM 406 CZ ARG A 26 -17.177 3.123 0.196 1.00 0.00 C ATOM 407 NH1 ARG A 26 -17.844 3.080 -0.925 1.00 0.00 N ATOM 408 NH2 ARG A 26 -17.476 2.300 1.165 1.00 0.00 N ATOM 0 H ARG A 26 -16.114 7.330 3.750 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.145 5.066 5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.533 5.465 3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.176 3.935 4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.193 4.236 2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -16.582 5.785 2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.513 4.638 1.432 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.170 3.094 1.938 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.954 4.625 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -17.608 3.720 -1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.601 2.406 -1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.953 2.331 2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.233 1.627 1.047 1.00 0.00 H new ATOM 422 N ASN A 27 -14.934 7.074 6.439 1.00 0.00 N ATOM 423 CA ASN A 27 -14.103 7.419 7.592 1.00 0.00 C ATOM 424 C ASN A 27 -12.725 6.761 7.488 1.00 0.00 C ATOM 425 O ASN A 27 -11.983 6.689 8.470 1.00 0.00 O ATOM 426 CB ASN A 27 -14.805 6.980 8.893 1.00 0.00 C ATOM 427 CG ASN A 27 -16.305 7.212 8.770 1.00 0.00 C ATOM 428 OD1 ASN A 27 -17.079 6.258 8.700 1.00 0.00 O ATOM 429 ND2 ASN A 27 -16.762 8.433 8.727 1.00 0.00 N ATOM 0 H ASN A 27 -15.113 7.853 5.805 1.00 0.00 H new ATOM 0 HA ASN A 27 -13.963 8.500 7.606 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.605 5.926 9.088 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.409 7.542 9.739 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -17.764 8.600 8.635 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -16.117 9.221 8.785 1.00 0.00 H new ATOM 436 N LYS A 28 -12.393 6.283 6.289 1.00 0.00 N ATOM 437 CA LYS A 28 -11.107 5.629 6.043 1.00 0.00 C ATOM 438 C LYS A 28 -10.619 5.958 4.637 1.00 0.00 C ATOM 439 O LYS A 28 -11.360 6.517 3.826 1.00 0.00 O ATOM 440 CB LYS A 28 -11.253 4.107 6.226 1.00 0.00 C ATOM 441 CG LYS A 28 -12.124 3.512 5.110 1.00 0.00 C ATOM 442 CD LYS A 28 -12.413 2.035 5.407 1.00 0.00 C ATOM 443 CE LYS A 28 -13.129 1.399 4.212 1.00 0.00 C ATOM 444 NZ LYS A 28 -13.458 -0.016 4.529 1.00 0.00 N ATOM 0 H LYS A 28 -12.999 6.337 5.470 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.371 5.996 6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.269 3.638 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.699 3.893 7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.059 4.066 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.616 3.607 4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.482 1.506 5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.030 1.948 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.039 1.953 3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.495 1.447 3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.349 -0.279 4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.694 -0.634 4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.562 -0.126 5.558 1.00 0.00 H new ATOM 458 N HIS A 29 -9.373 5.603 4.348 1.00 0.00 N ATOM 459 CA HIS A 29 -8.790 5.854 3.035 1.00 0.00 C ATOM 460 C HIS A 29 -9.065 4.674 2.115 1.00 0.00 C ATOM 461 O HIS A 29 -9.248 3.546 2.574 1.00 0.00 O ATOM 462 CB HIS A 29 -7.284 6.040 3.175 1.00 0.00 C ATOM 463 CG HIS A 29 -7.009 7.229 4.047 1.00 0.00 C ATOM 464 ND1 HIS A 29 -7.016 7.147 5.430 1.00 0.00 N ATOM 465 CD2 HIS A 29 -6.716 8.537 3.750 1.00 0.00 C ATOM 466 CE1 HIS A 29 -6.735 8.372 5.911 1.00 0.00 C ATOM 467 NE2 HIS A 29 -6.543 9.256 4.928 1.00 0.00 N ATOM 0 H HIS A 29 -8.746 5.140 5.006 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.235 6.755 2.612 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.834 5.146 3.607 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.831 6.182 2.194 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.633 8.945 2.754 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.672 8.611 6.962 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -6.318 10.246 5.021 1.00 0.00 H new ATOM 475 N VAL A 30 -9.099 4.946 0.813 1.00 0.00 N ATOM 476 CA VAL A 30 -9.356 3.912 -0.192 1.00 0.00 C ATOM 477 C VAL A 30 -8.489 4.149 -1.417 1.00 0.00 C ATOM 478 O VAL A 30 -7.959 5.244 -1.607 1.00 0.00 O ATOM 479 CB VAL A 30 -10.830 3.935 -0.594 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.693 3.585 0.622 1.00 0.00 C ATOM 481 CG2 VAL A 30 -11.204 5.334 -1.104 1.00 0.00 C ATOM 0 H VAL A 30 -8.951 5.878 0.425 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.113 2.938 0.233 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.002 3.206 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.745 3.601 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.429 2.590 0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.520 4.314 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.256 5.348 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.033 6.067 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.589 5.582 -1.969 1.00 0.00 H new ATOM 491 N LEU A 31 -8.349 3.121 -2.256 1.00 0.00 N ATOM 492 CA LEU A 31 -7.543 3.241 -3.474 1.00 0.00 C ATOM 493 C LEU A 31 -8.448 3.541 -4.659 1.00 0.00 C ATOM 494 O LEU A 31 -9.289 2.725 -5.034 1.00 0.00 O ATOM 495 CB LEU A 31 -6.788 1.926 -3.742 1.00 0.00 C ATOM 496 CG LEU A 31 -5.784 2.094 -4.904 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.668 3.108 -4.531 1.00 0.00 C ATOM 498 CD2 LEU A 31 -5.170 0.721 -5.222 1.00 0.00 C ATOM 0 H LEU A 31 -8.777 2.206 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.825 4.051 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.259 1.616 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.499 1.136 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.305 2.483 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.974 3.209 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.116 4.078 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.130 2.750 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.458 0.822 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.656 0.339 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.960 0.027 -5.511 1.00 0.00 H new ATOM 510 N LEU A 32 -8.257 4.710 -5.262 1.00 0.00 N ATOM 511 CA LEU A 32 -9.053 5.091 -6.425 1.00 0.00 C ATOM 512 C LEU A 32 -8.491 4.411 -7.659 1.00 0.00 C ATOM 513 O LEU A 32 -7.585 4.936 -8.308 1.00 0.00 O ATOM 514 CB LEU A 32 -9.010 6.614 -6.620 1.00 0.00 C ATOM 515 CG LEU A 32 -9.888 7.044 -7.821 1.00 0.00 C ATOM 516 CD1 LEU A 32 -11.372 6.653 -7.602 1.00 0.00 C ATOM 517 CD2 LEU A 32 -9.763 8.563 -8.001 1.00 0.00 C ATOM 0 H LEU A 32 -7.567 5.403 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.086 4.782 -6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.358 7.110 -5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.981 6.934 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.542 6.529 -8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.962 6.968 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.450 5.572 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.749 7.143 -6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.376 8.881 -8.844 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.102 9.066 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.722 8.822 -8.192 1.00 0.00 H new ATOM 529 N ALA A 33 -9.029 3.240 -7.986 1.00 0.00 N ATOM 530 CA ALA A 33 -8.569 2.486 -9.155 1.00 0.00 C ATOM 531 C ALA A 33 -9.491 2.766 -10.360 1.00 0.00 C ATOM 532 O ALA A 33 -10.658 3.115 -10.181 1.00 0.00 O ATOM 533 CB ALA A 33 -8.556 0.977 -8.818 1.00 0.00 C ATOM 0 H ALA A 33 -9.781 2.791 -7.463 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.559 2.799 -9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.214 0.413 -9.686 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.882 0.797 -7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.562 0.655 -8.550 1.00 0.00 H new ATOM 539 N PRO A 34 -8.996 2.612 -11.572 1.00 0.00 N ATOM 540 CA PRO A 34 -9.806 2.853 -12.807 1.00 0.00 C ATOM 541 C PRO A 34 -10.981 1.874 -12.909 1.00 0.00 C ATOM 542 O PRO A 34 -12.018 2.198 -13.487 1.00 0.00 O ATOM 543 CB PRO A 34 -8.790 2.654 -13.957 1.00 0.00 C ATOM 544 CG PRO A 34 -7.732 1.769 -13.372 1.00 0.00 C ATOM 545 CD PRO A 34 -7.621 2.193 -11.907 1.00 0.00 C ATOM 0 HA PRO A 34 -10.265 3.841 -12.824 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.259 2.192 -14.826 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.374 3.605 -14.288 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.006 0.718 -13.458 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.782 1.894 -13.891 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.285 1.371 -11.274 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.909 3.008 -11.776 1.00 0.00 H new ATOM 553 N GLU A 35 -10.806 0.672 -12.355 1.00 0.00 N ATOM 554 CA GLU A 35 -11.861 -0.345 -12.402 1.00 0.00 C ATOM 555 C GLU A 35 -12.911 -0.086 -11.325 1.00 0.00 C ATOM 556 O GLU A 35 -14.106 -0.037 -11.617 1.00 0.00 O ATOM 557 CB GLU A 35 -11.247 -1.740 -12.203 1.00 0.00 C ATOM 558 CG GLU A 35 -12.289 -2.835 -12.491 1.00 0.00 C ATOM 559 CD GLU A 35 -12.632 -2.865 -13.979 1.00 0.00 C ATOM 560 OE1 GLU A 35 -13.549 -2.160 -14.369 1.00 0.00 O ATOM 561 OE2 GLU A 35 -11.976 -3.593 -14.703 1.00 0.00 O ATOM 0 H GLU A 35 -9.955 0.380 -11.874 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.346 -0.295 -13.377 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.389 -1.864 -12.864 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.879 -1.839 -11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.901 -3.805 -12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.191 -2.651 -11.907 1.00 0.00 H new ATOM 568 N ARG A 36 -12.459 0.077 -10.085 1.00 0.00 N ATOM 569 CA ARG A 36 -13.374 0.323 -8.975 1.00 0.00 C ATOM 570 C ARG A 36 -12.592 0.631 -7.705 1.00 0.00 C ATOM 571 O ARG A 36 -11.493 0.119 -7.502 1.00 0.00 O ATOM 572 CB ARG A 36 -14.254 -0.911 -8.736 1.00 0.00 C ATOM 573 CG ARG A 36 -15.283 -0.611 -7.642 1.00 0.00 C ATOM 574 CD ARG A 36 -16.243 -1.795 -7.508 1.00 0.00 C ATOM 575 NE ARG A 36 -15.523 -2.979 -7.053 1.00 0.00 N ATOM 576 CZ ARG A 36 -16.129 -4.159 -6.962 1.00 0.00 C ATOM 577 NH1 ARG A 36 -15.460 -5.205 -6.564 1.00 0.00 N ATOM 578 NH2 ARG A 36 -17.392 -4.270 -7.269 1.00 0.00 N ATOM 0 H ARG A 36 -11.473 0.044 -9.825 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.002 1.177 -9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.762 -1.191 -9.659 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.635 -1.759 -8.443 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.778 -0.429 -6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.837 0.295 -7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.037 -1.550 -6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.719 -1.997 -8.467 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.538 -2.900 -6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.473 -5.118 -6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.924 -6.111 -6.494 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.915 -3.451 -7.579 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.856 -5.176 -7.199 1.00 0.00 H new ATOM 592 N THR A 37 -13.175 1.460 -6.846 1.00 0.00 N ATOM 593 CA THR A 37 -12.536 1.823 -5.586 1.00 0.00 C ATOM 594 C THR A 37 -12.553 0.641 -4.622 1.00 0.00 C ATOM 595 O THR A 37 -13.591 0.011 -4.417 1.00 0.00 O ATOM 596 CB THR A 37 -13.273 3.007 -4.959 1.00 0.00 C ATOM 597 OG1 THR A 37 -13.291 4.093 -5.875 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.574 3.434 -3.668 1.00 0.00 C ATOM 0 H THR A 37 -14.086 1.892 -6.998 1.00 0.00 H new ATOM 0 HA THR A 37 -11.501 2.100 -5.784 1.00 0.00 H new ATOM 0 HB THR A 37 -14.296 2.710 -4.727 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.765 4.851 -5.474 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.106 4.278 -3.228 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.569 2.602 -2.964 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.548 3.727 -3.890 1.00 0.00 H new ATOM 606 N PHE A 38 -11.394 0.344 -4.026 1.00 0.00 N ATOM 607 CA PHE A 38 -11.274 -0.768 -3.075 1.00 0.00 C ATOM 608 C PHE A 38 -11.287 -0.257 -1.639 1.00 0.00 C ATOM 609 O PHE A 38 -10.651 0.746 -1.319 1.00 0.00 O ATOM 610 CB PHE A 38 -9.968 -1.525 -3.329 1.00 0.00 C ATOM 611 CG PHE A 38 -9.956 -2.043 -4.753 1.00 0.00 C ATOM 612 CD1 PHE A 38 -9.140 -1.445 -5.728 1.00 0.00 C ATOM 613 CD2 PHE A 38 -10.769 -3.127 -5.098 1.00 0.00 C ATOM 614 CE1 PHE A 38 -9.146 -1.934 -7.041 1.00 0.00 C ATOM 615 CE2 PHE A 38 -10.773 -3.614 -6.409 1.00 0.00 C ATOM 616 CZ PHE A 38 -9.963 -3.017 -7.381 1.00 0.00 C ATOM 0 H PHE A 38 -10.526 0.856 -4.184 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.124 -1.435 -3.218 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.115 -0.867 -3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.873 -2.354 -2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.509 -0.609 -5.466 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.396 -3.590 -4.350 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -8.519 -1.474 -7.791 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.402 -4.452 -6.671 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.969 -3.392 -8.394 1.00 0.00 H new ATOM 626 N ASP A 39 -12.012 -0.966 -0.776 1.00 0.00 N ATOM 627 CA ASP A 39 -12.100 -0.597 0.634 1.00 0.00 C ATOM 628 C ASP A 39 -10.807 -0.956 1.360 1.00 0.00 C ATOM 629 O ASP A 39 -10.442 -2.128 1.449 1.00 0.00 O ATOM 630 CB ASP A 39 -13.274 -1.329 1.286 1.00 0.00 C ATOM 631 CG ASP A 39 -13.103 -2.838 1.134 1.00 0.00 C ATOM 632 OD1 ASP A 39 -12.281 -3.244 0.328 1.00 0.00 O ATOM 633 OD2 ASP A 39 -13.796 -3.565 1.827 1.00 0.00 O ATOM 0 H ASP A 39 -12.546 -1.798 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.256 0.479 0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.334 -1.067 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.210 -1.013 0.825 1.00 0.00 H new ATOM 638 N LEU A 40 -10.111 0.063 1.872 1.00 0.00 N ATOM 639 CA LEU A 40 -8.845 -0.143 2.588 1.00 0.00 C ATOM 640 C LEU A 40 -8.842 0.636 3.894 1.00 0.00 C ATOM 641 O LEU A 40 -9.568 1.617 4.050 1.00 0.00 O ATOM 642 CB LEU A 40 -7.684 0.332 1.717 1.00 0.00 C ATOM 643 CG LEU A 40 -7.626 -0.481 0.407 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.598 0.159 -0.536 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.230 -1.955 0.681 1.00 0.00 C ATOM 0 H LEU A 40 -10.401 1.039 1.805 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.735 -1.205 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.801 1.392 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.745 0.225 2.261 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.615 -0.474 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.552 -0.411 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.894 1.185 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.617 0.158 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.197 -2.504 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.248 -1.986 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.966 -2.413 1.342 1.00 0.00 H new ATOM 657 N ASP A 41 -8.017 0.181 4.835 1.00 0.00 N ATOM 658 CA ASP A 41 -7.907 0.824 6.144 1.00 0.00 C ATOM 659 C ASP A 41 -6.901 1.965 6.078 1.00 0.00 C ATOM 660 O ASP A 41 -5.987 1.956 5.254 1.00 0.00 O ATOM 661 CB ASP A 41 -7.456 -0.207 7.185 1.00 0.00 C ATOM 662 CG ASP A 41 -8.556 -1.243 7.409 1.00 0.00 C ATOM 663 OD1 ASP A 41 -9.681 -0.983 7.013 1.00 0.00 O ATOM 664 OD2 ASP A 41 -8.256 -2.283 7.971 1.00 0.00 O ATOM 0 H ASP A 41 -7.413 -0.632 4.715 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.879 1.225 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.544 -0.700 6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.220 0.293 8.124 1.00 0.00 H new ATOM 669 N ASP A 42 -7.082 2.950 6.945 1.00 0.00 N ATOM 670 CA ASP A 42 -6.194 4.102 6.972 1.00 0.00 C ATOM 671 C ASP A 42 -4.753 3.662 7.213 1.00 0.00 C ATOM 672 O ASP A 42 -3.825 4.184 6.594 1.00 0.00 O ATOM 673 CB ASP A 42 -6.629 5.062 8.081 1.00 0.00 C ATOM 674 CG ASP A 42 -5.750 6.310 8.078 1.00 0.00 C ATOM 675 OD1 ASP A 42 -4.797 6.345 7.315 1.00 0.00 O ATOM 676 OD2 ASP A 42 -6.042 7.214 8.843 1.00 0.00 O ATOM 0 H ASP A 42 -7.832 2.975 7.636 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.249 4.607 6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.672 5.344 7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.562 4.565 9.049 1.00 0.00 H new ATOM 681 N ASN A 43 -4.573 2.707 8.115 1.00 0.00 N ATOM 682 CA ASN A 43 -3.238 2.212 8.430 1.00 0.00 C ATOM 683 C ASN A 43 -2.613 1.534 7.214 1.00 0.00 C ATOM 684 O ASN A 43 -1.407 1.629 6.994 1.00 0.00 O ATOM 685 CB ASN A 43 -3.309 1.216 9.590 1.00 0.00 C ATOM 686 CG ASN A 43 -4.165 0.016 9.198 1.00 0.00 C ATOM 687 OD1 ASN A 43 -3.786 -0.756 8.317 1.00 0.00 O ATOM 688 ND2 ASN A 43 -5.303 -0.187 9.802 1.00 0.00 N ATOM 0 H ASN A 43 -5.327 2.262 8.638 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.617 3.061 8.716 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.305 0.885 9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.730 1.701 10.471 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.881 -0.987 9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.615 0.454 10.532 1.00 0.00 H new ATOM 695 N ALA A 44 -3.439 0.844 6.434 1.00 0.00 N ATOM 696 CA ALA A 44 -2.955 0.145 5.249 1.00 0.00 C ATOM 697 C ALA A 44 -2.527 1.132 4.167 1.00 0.00 C ATOM 698 O ALA A 44 -1.506 0.934 3.508 1.00 0.00 O ATOM 699 CB ALA A 44 -4.057 -0.762 4.700 1.00 0.00 C ATOM 0 H ALA A 44 -4.441 0.754 6.600 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.090 -0.453 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.692 -1.283 3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.340 -1.491 5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.926 -0.159 4.434 1.00 0.00 H new ATOM 705 N VAL A 45 -3.306 2.196 3.987 1.00 0.00 N ATOM 706 CA VAL A 45 -2.985 3.206 2.978 1.00 0.00 C ATOM 707 C VAL A 45 -1.871 4.112 3.481 1.00 0.00 C ATOM 708 O VAL A 45 -1.108 4.669 2.693 1.00 0.00 O ATOM 709 CB VAL A 45 -4.223 4.049 2.658 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.878 5.104 1.594 1.00 0.00 C ATOM 711 CG2 VAL A 45 -5.336 3.137 2.133 1.00 0.00 C ATOM 0 H VAL A 45 -4.156 2.382 4.520 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.655 2.697 2.072 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.559 4.553 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.763 5.700 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.088 5.754 1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.538 4.607 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.219 3.735 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.996 2.631 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.587 2.395 2.891 1.00 0.00 H new ATOM 721 N ALA A 46 -1.784 4.255 4.798 1.00 0.00 N ATOM 722 CA ALA A 46 -0.757 5.101 5.394 1.00 0.00 C ATOM 723 C ALA A 46 0.626 4.662 4.929 1.00 0.00 C ATOM 724 O ALA A 46 1.495 5.490 4.667 1.00 0.00 O ATOM 725 CB ALA A 46 -0.835 5.022 6.919 1.00 0.00 C ATOM 0 H ALA A 46 -2.405 3.801 5.468 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.927 6.130 5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.064 5.657 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.816 5.361 7.251 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.680 3.991 7.238 1.00 0.00 H new ATOM 731 N VAL A 47 0.820 3.354 4.826 1.00 0.00 N ATOM 732 CA VAL A 47 2.099 2.816 4.386 1.00 0.00 C ATOM 733 C VAL A 47 2.421 3.311 2.980 1.00 0.00 C ATOM 734 O VAL A 47 3.545 3.721 2.696 1.00 0.00 O ATOM 735 CB VAL A 47 2.046 1.284 4.398 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.394 0.705 3.953 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.720 0.800 5.814 1.00 0.00 C ATOM 0 H VAL A 47 0.113 2.650 5.040 1.00 0.00 H new ATOM 0 HA VAL A 47 2.880 3.155 5.067 1.00 0.00 H new ATOM 0 HB VAL A 47 1.273 0.947 3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.344 -0.384 3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.621 1.046 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.177 1.040 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.681 -0.289 5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.492 1.144 6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.754 1.201 6.122 1.00 0.00 H new ATOM 747 N LEU A 48 1.422 3.259 2.102 1.00 0.00 N ATOM 748 CA LEU A 48 1.592 3.694 0.717 1.00 0.00 C ATOM 749 C LEU A 48 1.761 5.205 0.651 1.00 0.00 C ATOM 750 O LEU A 48 2.453 5.730 -0.222 1.00 0.00 O ATOM 751 CB LEU A 48 0.378 3.277 -0.113 1.00 0.00 C ATOM 752 CG LEU A 48 0.094 1.782 0.085 1.00 0.00 C ATOM 753 CD1 LEU A 48 -1.132 1.391 -0.749 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.310 0.935 -0.344 1.00 0.00 C ATOM 0 H LEU A 48 0.486 2.920 2.325 1.00 0.00 H new ATOM 0 HA LEU A 48 2.487 3.221 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.493 3.863 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.560 3.484 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.099 1.593 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.341 0.330 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.994 1.974 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.934 1.591 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.088 -0.122 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.526 1.116 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.176 1.212 0.257 1.00 0.00 H new ATOM 766 N LYS A 49 1.115 5.903 1.574 1.00 0.00 N ATOM 767 CA LYS A 49 1.199 7.357 1.626 1.00 0.00 C ATOM 768 C LYS A 49 2.460 7.791 2.364 1.00 0.00 C ATOM 769 O LYS A 49 2.973 8.887 2.137 1.00 0.00 O ATOM 770 CB LYS A 49 -0.029 7.922 2.337 1.00 0.00 C ATOM 771 CG LYS A 49 0.003 9.454 2.287 1.00 0.00 C ATOM 772 CD LYS A 49 -1.326 10.020 2.803 1.00 0.00 C ATOM 773 CE LYS A 49 -1.548 9.639 4.276 1.00 0.00 C ATOM 774 NZ LYS A 49 -2.573 10.549 4.864 1.00 0.00 N ATOM 0 H LYS A 49 0.527 5.487 2.297 1.00 0.00 H new ATOM 0 HA LYS A 49 1.237 7.740 0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.938 7.552 1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.049 7.583 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.828 9.829 2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.179 9.790 1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.329 11.105 2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.148 9.640 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.877 8.603 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.613 9.717 4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.729 10.298 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.240 11.532 4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.465 10.452 4.339 1.00 0.00 H new ATOM 788 N LEU A 50 2.953 6.940 3.267 1.00 0.00 N ATOM 789 CA LEU A 50 4.148 7.285 4.034 1.00 0.00 C ATOM 790 C LEU A 50 5.383 7.227 3.145 1.00 0.00 C ATOM 791 O LEU A 50 6.323 8.000 3.329 1.00 0.00 O ATOM 792 CB LEU A 50 4.320 6.292 5.201 1.00 0.00 C ATOM 793 CG LEU A 50 5.558 6.637 6.059 1.00 0.00 C ATOM 794 CD1 LEU A 50 5.423 8.043 6.687 1.00 0.00 C ATOM 795 CD2 LEU A 50 5.698 5.576 7.164 1.00 0.00 C ATOM 0 H LEU A 50 2.552 6.027 3.481 1.00 0.00 H new ATOM 0 HA LEU A 50 4.033 8.297 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.427 6.305 5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.419 5.280 4.808 1.00 0.00 H new ATOM 0 HG LEU A 50 6.445 6.641 5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.308 8.261 7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.328 8.787 5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.538 8.074 7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.568 5.804 7.780 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.803 5.578 7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.823 4.593 6.711 1.00 0.00 H new ATOM 807 N VAL A 51 5.372 6.314 2.175 1.00 0.00 N ATOM 808 CA VAL A 51 6.496 6.166 1.249 1.00 0.00 C ATOM 809 C VAL A 51 6.438 7.233 0.160 1.00 0.00 C ATOM 810 O VAL A 51 5.391 7.456 -0.447 1.00 0.00 O ATOM 811 CB VAL A 51 6.497 4.758 0.630 1.00 0.00 C ATOM 812 CG1 VAL A 51 5.160 4.479 -0.057 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.636 4.631 -0.394 1.00 0.00 C ATOM 0 H VAL A 51 4.601 5.667 2.009 1.00 0.00 H new ATOM 0 HA VAL A 51 7.423 6.298 1.806 1.00 0.00 H new ATOM 0 HB VAL A 51 6.647 4.031 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.175 3.479 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.354 4.545 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.996 5.214 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.627 3.630 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.498 5.369 -1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.591 4.804 0.101 1.00 0.00 H new ATOM 823 N ASP A 52 7.566 7.891 -0.088 1.00 0.00 N ATOM 824 CA ASP A 52 7.620 8.925 -1.115 1.00 0.00 C ATOM 825 C ASP A 52 7.588 8.285 -2.503 1.00 0.00 C ATOM 826 O ASP A 52 6.595 8.391 -3.227 1.00 0.00 O ATOM 827 CB ASP A 52 8.897 9.754 -0.951 1.00 0.00 C ATOM 828 CG ASP A 52 8.842 10.552 0.352 1.00 0.00 C ATOM 829 OD1 ASP A 52 7.761 10.676 0.906 1.00 0.00 O ATOM 830 OD2 ASP A 52 9.884 11.024 0.777 1.00 0.00 O ATOM 0 H ASP A 52 8.446 7.729 0.402 1.00 0.00 H new ATOM 0 HA ASP A 52 6.755 9.579 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.768 9.098 -0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.011 10.432 -1.797 1.00 0.00 H new ATOM 835 N GLY A 53 8.686 7.607 -2.861 1.00 0.00 N ATOM 836 CA GLY A 53 8.808 6.925 -4.162 1.00 0.00 C ATOM 837 C GLY A 53 8.894 5.416 -3.967 1.00 0.00 C ATOM 838 O GLY A 53 7.918 4.773 -3.575 1.00 0.00 O ATOM 0 H GLY A 53 9.509 7.514 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.950 7.168 -4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.696 7.281 -4.684 1.00 0.00 H new ATOM 842 N ARG A 54 10.078 4.851 -4.235 1.00 0.00 N ATOM 843 CA ARG A 54 10.302 3.407 -4.077 1.00 0.00 C ATOM 844 C ARG A 54 11.215 3.141 -2.883 1.00 0.00 C ATOM 845 O ARG A 54 12.429 3.342 -2.958 1.00 0.00 O ATOM 846 CB ARG A 54 10.966 2.866 -5.346 1.00 0.00 C ATOM 847 CG ARG A 54 9.987 2.956 -6.516 1.00 0.00 C ATOM 848 CD ARG A 54 10.668 2.456 -7.791 1.00 0.00 C ATOM 849 NE ARG A 54 11.726 3.376 -8.188 1.00 0.00 N ATOM 850 CZ ARG A 54 12.476 3.139 -9.258 1.00 0.00 C ATOM 851 NH1 ARG A 54 13.417 3.978 -9.593 1.00 0.00 N ATOM 852 NH2 ARG A 54 12.271 2.067 -9.975 1.00 0.00 N ATOM 0 H ARG A 54 10.894 5.369 -4.561 1.00 0.00 H new ATOM 0 HA ARG A 54 9.345 2.912 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.867 3.437 -5.568 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.273 1.831 -5.195 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.099 2.359 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.655 3.986 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.083 1.462 -7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.935 2.365 -8.592 1.00 0.00 H new ATOM 0 HE ARG A 54 11.893 4.216 -7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.576 4.816 -9.033 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.993 3.796 -10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.535 1.411 -9.713 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.847 1.885 -10.797 1.00 0.00 H new ATOM 866 N ASN A 55 10.618 2.663 -1.790 1.00 0.00 N ATOM 867 CA ASN A 55 11.357 2.330 -0.565 1.00 0.00 C ATOM 868 C ASN A 55 11.241 0.838 -0.278 1.00 0.00 C ATOM 869 O ASN A 55 10.238 0.209 -0.615 1.00 0.00 O ATOM 870 CB ASN A 55 10.807 3.137 0.617 1.00 0.00 C ATOM 871 CG ASN A 55 11.168 4.612 0.452 1.00 0.00 C ATOM 872 OD1 ASN A 55 11.972 4.957 -0.413 1.00 0.00 O ATOM 873 ND2 ASN A 55 10.630 5.503 1.239 1.00 0.00 N ATOM 0 H ASN A 55 9.614 2.495 -1.726 1.00 0.00 H new ATOM 0 HA ASN A 55 12.408 2.583 -0.705 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.725 3.023 0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.218 2.755 1.552 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.876 6.488 1.138 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.964 5.215 1.955 1.00 0.00 H new ATOM 880 N THR A 56 12.265 0.280 0.359 1.00 0.00 N ATOM 881 CA THR A 56 12.261 -1.138 0.704 1.00 0.00 C ATOM 882 C THR A 56 11.394 -1.362 1.934 1.00 0.00 C ATOM 883 O THR A 56 11.416 -0.565 2.874 1.00 0.00 O ATOM 884 CB THR A 56 13.689 -1.608 0.988 1.00 0.00 C ATOM 885 OG1 THR A 56 14.155 -1.005 2.189 1.00 0.00 O ATOM 886 CG2 THR A 56 14.598 -1.204 -0.172 1.00 0.00 C ATOM 0 H THR A 56 13.104 0.784 0.646 1.00 0.00 H new ATOM 0 HA THR A 56 11.857 -1.709 -0.132 1.00 0.00 H new ATOM 0 HB THR A 56 13.701 -2.692 1.097 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.069 -1.307 2.373 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.616 -1.539 0.030 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.240 -1.665 -1.092 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.588 -0.120 -0.282 1.00 0.00 H new ATOM 894 N VAL A 57 10.626 -2.445 1.925 1.00 0.00 N ATOM 895 CA VAL A 57 9.750 -2.755 3.049 1.00 0.00 C ATOM 896 C VAL A 57 10.545 -2.778 4.349 1.00 0.00 C ATOM 897 O VAL A 57 10.069 -2.327 5.390 1.00 0.00 O ATOM 898 CB VAL A 57 9.076 -4.112 2.822 1.00 0.00 C ATOM 899 CG1 VAL A 57 8.263 -4.062 1.525 1.00 0.00 C ATOM 900 CG2 VAL A 57 10.141 -5.213 2.716 1.00 0.00 C ATOM 0 H VAL A 57 10.591 -3.118 1.159 1.00 0.00 H new ATOM 0 HA VAL A 57 8.984 -1.983 3.123 1.00 0.00 H new ATOM 0 HB VAL A 57 8.417 -4.332 3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.782 -5.026 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.502 -3.285 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.926 -3.839 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.655 -6.175 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.805 -4.997 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.720 -5.249 3.639 1.00 0.00 H new ATOM 910 N SER A 58 11.763 -3.298 4.276 1.00 0.00 N ATOM 911 CA SER A 58 12.624 -3.366 5.448 1.00 0.00 C ATOM 912 C SER A 58 12.866 -1.974 6.022 1.00 0.00 C ATOM 913 O SER A 58 12.817 -1.778 7.234 1.00 0.00 O ATOM 914 CB SER A 58 13.961 -4.005 5.076 1.00 0.00 C ATOM 915 OG SER A 58 13.731 -5.319 4.585 1.00 0.00 O ATOM 0 H SER A 58 12.175 -3.677 3.423 1.00 0.00 H new ATOM 0 HA SER A 58 12.127 -3.974 6.203 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.467 -3.405 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.616 -4.039 5.946 1.00 0.00 H new ATOM 0 HG SER A 58 14.586 -5.732 4.343 1.00 0.00 H new ATOM 921 N GLN A 59 13.133 -1.010 5.143 1.00 0.00 N ATOM 922 CA GLN A 59 13.391 0.360 5.581 1.00 0.00 C ATOM 923 C GLN A 59 12.148 0.959 6.229 1.00 0.00 C ATOM 924 O GLN A 59 12.224 1.565 7.297 1.00 0.00 O ATOM 925 CB GLN A 59 13.804 1.215 4.379 1.00 0.00 C ATOM 926 CG GLN A 59 14.234 2.607 4.851 1.00 0.00 C ATOM 927 CD GLN A 59 14.700 3.439 3.662 1.00 0.00 C ATOM 928 OE1 GLN A 59 14.039 3.465 2.623 1.00 0.00 O ATOM 929 NE2 GLN A 59 15.808 4.121 3.750 1.00 0.00 N ATOM 0 H GLN A 59 13.176 -1.150 4.134 1.00 0.00 H new ATOM 0 HA GLN A 59 14.196 0.345 6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.623 0.734 3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.972 1.300 3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.402 3.104 5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.038 2.520 5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.354 4.098 4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 59 16.129 4.677 2.958 1.00 0.00 H new ATOM 938 N ILE A 60 11.007 0.784 5.578 1.00 0.00 N ATOM 939 CA ILE A 60 9.752 1.306 6.099 1.00 0.00 C ATOM 940 C ILE A 60 9.442 0.679 7.451 1.00 0.00 C ATOM 941 O ILE A 60 9.004 1.360 8.376 1.00 0.00 O ATOM 942 CB ILE A 60 8.606 1.035 5.116 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.967 1.613 3.737 1.00 0.00 C ATOM 944 CG2 ILE A 60 7.320 1.695 5.635 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.934 1.166 2.699 1.00 0.00 C ATOM 0 H ILE A 60 10.924 0.287 4.691 1.00 0.00 H new ATOM 0 HA ILE A 60 9.853 2.384 6.225 1.00 0.00 H new ATOM 0 HB ILE A 60 8.448 -0.040 5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.999 2.701 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.961 1.278 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.505 1.503 4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.067 1.281 6.611 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.474 2.770 5.726 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.195 1.579 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.924 0.078 2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.947 1.523 2.991 1.00 0.00 H new ATOM 957 N ALA A 61 9.656 -0.627 7.553 1.00 0.00 N ATOM 958 CA ALA A 61 9.381 -1.341 8.792 1.00 0.00 C ATOM 959 C ALA A 61 10.093 -0.688 9.970 1.00 0.00 C ATOM 960 O ALA A 61 9.540 -0.590 11.063 1.00 0.00 O ATOM 961 CB ALA A 61 9.826 -2.803 8.660 1.00 0.00 C ATOM 0 H ALA A 61 10.017 -1.210 6.797 1.00 0.00 H new ATOM 0 HA ALA A 61 8.308 -1.302 8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.618 -3.332 9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.281 -3.277 7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.895 -2.841 8.453 1.00 0.00 H new ATOM 967 N GLN A 62 11.319 -0.241 9.741 1.00 0.00 N ATOM 968 CA GLN A 62 12.088 0.405 10.795 1.00 0.00 C ATOM 969 C GLN A 62 11.415 1.698 11.242 1.00 0.00 C ATOM 970 O GLN A 62 11.200 1.916 12.430 1.00 0.00 O ATOM 971 CB GLN A 62 13.499 0.716 10.282 1.00 0.00 C ATOM 972 CG GLN A 62 14.265 -0.586 10.018 1.00 0.00 C ATOM 973 CD GLN A 62 14.587 -1.290 11.331 1.00 0.00 C ATOM 974 OE1 GLN A 62 14.947 -0.642 12.313 1.00 0.00 O ATOM 975 NE2 GLN A 62 14.486 -2.587 11.404 1.00 0.00 N ATOM 0 H GLN A 62 11.799 -0.312 8.844 1.00 0.00 H new ATOM 0 HA GLN A 62 12.143 -0.272 11.648 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.440 1.304 9.366 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.035 1.320 11.014 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.670 -1.242 9.383 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.187 -0.370 9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.187 -3.122 10.589 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.706 -3.067 12.277 1.00 0.00 H new ATOM 984 N ILE A 63 11.095 2.560 10.285 1.00 0.00 N ATOM 985 CA ILE A 63 10.461 3.832 10.606 1.00 0.00 C ATOM 986 C ILE A 63 9.074 3.613 11.197 1.00 0.00 C ATOM 987 O ILE A 63 8.727 4.191 12.226 1.00 0.00 O ATOM 988 CB ILE A 63 10.345 4.689 9.339 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.742 4.889 8.727 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.733 6.055 9.693 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.620 5.534 7.344 1.00 0.00 C ATOM 0 H ILE A 63 11.262 2.404 9.291 1.00 0.00 H new ATOM 0 HA ILE A 63 11.078 4.345 11.343 1.00 0.00 H new ATOM 0 HB ILE A 63 9.702 4.185 8.617 1.00 0.00 H new ATOM 0 HG12 ILE A 63 12.347 5.519 9.379 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.253 3.930 8.646 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.652 6.662 8.791 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.742 5.909 10.123 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.371 6.563 10.416 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.614 5.672 6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 63 11.032 4.888 6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.127 6.502 7.436 1.00 0.00 H new ATOM 1003 N LEU A 64 8.277 2.784 10.529 1.00 0.00 N ATOM 1004 CA LEU A 64 6.920 2.505 10.988 1.00 0.00 C ATOM 1005 C LEU A 64 6.955 1.666 12.263 1.00 0.00 C ATOM 1006 O LEU A 64 6.094 1.802 13.129 1.00 0.00 O ATOM 1007 CB LEU A 64 6.124 1.774 9.892 1.00 0.00 C ATOM 1008 CG LEU A 64 4.623 1.711 10.262 1.00 0.00 C ATOM 1009 CD1 LEU A 64 3.987 3.129 10.270 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.893 0.817 9.244 1.00 0.00 C ATOM 0 H LEU A 64 8.545 2.297 9.674 1.00 0.00 H new ATOM 0 HA LEU A 64 6.425 3.452 11.205 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.248 2.289 8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.515 0.765 9.762 1.00 0.00 H new ATOM 0 HG LEU A 64 4.526 1.294 11.265 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.932 3.053 10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.500 3.754 11.002 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.083 3.576 9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.834 0.767 9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.008 1.236 8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.320 -0.186 9.269 1.00 0.00 H new ATOM 1022 N GLY A 65 7.947 0.789 12.362 1.00 0.00 N ATOM 1023 CA GLY A 65 8.074 -0.076 13.529 1.00 0.00 C ATOM 1024 C GLY A 65 8.179 0.741 14.809 1.00 0.00 C ATOM 1025 O GLY A 65 7.603 0.380 15.835 1.00 0.00 O ATOM 0 H GLY A 65 8.670 0.658 11.654 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.212 -0.741 13.588 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.957 -0.707 13.423 1.00 0.00 H new ATOM 1029 N GLN A 66 8.912 1.845 14.744 1.00 0.00 N ATOM 1030 CA GLN A 66 9.076 2.706 15.907 1.00 0.00 C ATOM 1031 C GLN A 66 7.739 3.333 16.296 1.00 0.00 C ATOM 1032 O GLN A 66 7.484 3.584 17.473 1.00 0.00 O ATOM 1033 CB GLN A 66 10.095 3.811 15.596 1.00 0.00 C ATOM 1034 CG GLN A 66 11.495 3.204 15.481 1.00 0.00 C ATOM 1035 CD GLN A 66 12.493 4.281 15.069 1.00 0.00 C ATOM 1036 OE1 GLN A 66 12.135 5.454 14.964 1.00 0.00 O ATOM 1037 NE2 GLN A 66 13.731 3.950 14.824 1.00 0.00 N ATOM 0 H GLN A 66 9.398 2.163 13.906 1.00 0.00 H new ATOM 0 HA GLN A 66 9.438 2.104 16.740 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.829 4.314 14.666 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.079 4.566 16.382 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.791 2.767 16.434 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.493 2.398 14.747 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.026 2.977 14.912 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.404 4.664 14.545 1.00 0.00 H new ATOM 1046 N THR A 67 6.891 3.583 15.304 1.00 0.00 N ATOM 1047 CA THR A 67 5.591 4.186 15.569 1.00 0.00 C ATOM 1048 C THR A 67 4.745 3.271 16.452 1.00 0.00 C ATOM 1049 O THR A 67 4.154 3.717 17.437 1.00 0.00 O ATOM 1050 CB THR A 67 4.858 4.453 14.249 1.00 0.00 C ATOM 1051 OG1 THR A 67 5.730 5.134 13.358 1.00 0.00 O ATOM 1052 CG2 THR A 67 3.614 5.308 14.504 1.00 0.00 C ATOM 0 H THR A 67 7.077 3.380 14.322 1.00 0.00 H new ATOM 0 HA THR A 67 5.748 5.129 16.092 1.00 0.00 H new ATOM 0 HB THR A 67 4.551 3.504 13.809 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.265 5.305 12.512 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.100 5.493 13.561 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.945 4.783 15.185 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.910 6.258 14.948 1.00 0.00 H new ATOM 1060 N TYR A 68 4.697 1.985 16.098 1.00 0.00 N ATOM 1061 CA TYR A 68 3.924 1.000 16.863 1.00 0.00 C ATOM 1062 C TYR A 68 4.808 0.323 17.907 1.00 0.00 C ATOM 1063 O TYR A 68 4.337 -0.503 18.690 1.00 0.00 O ATOM 1064 CB TYR A 68 3.354 -0.058 15.911 1.00 0.00 C ATOM 1065 CG TYR A 68 2.322 0.579 15.001 1.00 0.00 C ATOM 1066 CD1 TYR A 68 2.718 1.161 13.793 1.00 0.00 C ATOM 1067 CD2 TYR A 68 0.970 0.591 15.371 1.00 0.00 C ATOM 1068 CE1 TYR A 68 1.767 1.752 12.955 1.00 0.00 C ATOM 1069 CE2 TYR A 68 0.018 1.183 14.532 1.00 0.00 C ATOM 1070 CZ TYR A 68 0.418 1.763 13.324 1.00 0.00 C ATOM 1071 OH TYR A 68 -0.520 2.347 12.496 1.00 0.00 O ATOM 0 H TYR A 68 5.183 1.600 15.288 1.00 0.00 H new ATOM 0 HA TYR A 68 3.108 1.514 17.372 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.156 -0.497 15.317 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.900 -0.868 16.482 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.759 1.154 13.507 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.662 0.143 16.304 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.075 2.200 12.022 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.024 1.192 14.817 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.409 2.267 12.901 1.00 0.00 H new ATOM 1081 N ASP A 69 6.090 0.681 17.920 1.00 0.00 N ATOM 1082 CA ASP A 69 7.024 0.099 18.881 1.00 0.00 C ATOM 1083 C ASP A 69 6.927 -1.424 18.877 1.00 0.00 C ATOM 1084 O ASP A 69 6.578 -2.035 19.887 1.00 0.00 O ATOM 1085 CB ASP A 69 6.718 0.624 20.287 1.00 0.00 C ATOM 1086 CG ASP A 69 7.814 0.199 21.260 1.00 0.00 C ATOM 1087 OD1 ASP A 69 8.876 -0.185 20.798 1.00 0.00 O ATOM 1088 OD2 ASP A 69 7.574 0.263 22.454 1.00 0.00 O ATOM 0 H ASP A 69 6.502 1.363 17.284 1.00 0.00 H new ATOM 0 HA ASP A 69 8.035 0.387 18.593 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.640 1.711 20.268 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.755 0.242 20.624 1.00 0.00 H new ATOM 1093 N ALA A 70 7.227 -2.037 17.732 1.00 0.00 N ATOM 1094 CA ALA A 70 7.159 -3.495 17.604 1.00 0.00 C ATOM 1095 C ALA A 70 8.250 -3.996 16.666 1.00 0.00 C ATOM 1096 O ALA A 70 8.840 -3.220 15.918 1.00 0.00 O ATOM 1097 CB ALA A 70 5.779 -3.904 17.079 1.00 0.00 C ATOM 0 H ALA A 70 7.518 -1.551 16.884 1.00 0.00 H new ATOM 0 HA ALA A 70 7.315 -3.945 18.585 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.732 -4.989 16.985 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.010 -3.567 17.774 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.611 -3.448 16.103 1.00 0.00 H new ATOM 1103 N ASP A 71 8.522 -5.294 16.722 1.00 0.00 N ATOM 1104 CA ASP A 71 9.561 -5.879 15.884 1.00 0.00 C ATOM 1105 C ASP A 71 9.287 -5.564 14.400 1.00 0.00 C ATOM 1106 O ASP A 71 8.301 -6.053 13.843 1.00 0.00 O ATOM 1107 CB ASP A 71 9.602 -7.395 16.096 1.00 0.00 C ATOM 1108 CG ASP A 71 10.036 -7.714 17.528 1.00 0.00 C ATOM 1109 OD1 ASP A 71 10.057 -6.802 18.340 1.00 0.00 O ATOM 1110 OD2 ASP A 71 10.340 -8.866 17.790 1.00 0.00 O ATOM 0 H ASP A 71 8.043 -5.956 17.333 1.00 0.00 H new ATOM 0 HA ASP A 71 10.524 -5.451 16.162 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.619 -7.824 15.902 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.294 -7.850 15.388 1.00 0.00 H new ATOM 1115 N PRO A 72 10.114 -4.761 13.738 1.00 0.00 N ATOM 1116 CA PRO A 72 9.894 -4.408 12.295 1.00 0.00 C ATOM 1117 C PRO A 72 9.605 -5.634 11.424 1.00 0.00 C ATOM 1118 O PRO A 72 8.832 -5.554 10.472 1.00 0.00 O ATOM 1119 CB PRO A 72 11.223 -3.736 11.877 1.00 0.00 C ATOM 1120 CG PRO A 72 11.766 -3.149 13.142 1.00 0.00 C ATOM 1121 CD PRO A 72 11.326 -4.095 14.270 1.00 0.00 C ATOM 0 HA PRO A 72 9.022 -3.767 12.165 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.915 -4.460 11.448 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.058 -2.967 11.123 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.852 -3.070 13.101 1.00 0.00 H new ATOM 0 HG3 PRO A 72 11.379 -2.143 13.303 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.105 -4.819 14.509 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.109 -3.547 15.187 1.00 0.00 H new ATOM 1129 N ALA A 73 10.240 -6.759 11.750 1.00 0.00 N ATOM 1130 CA ALA A 73 10.055 -7.991 10.982 1.00 0.00 C ATOM 1131 C ALA A 73 8.571 -8.314 10.820 1.00 0.00 C ATOM 1132 O ALA A 73 8.142 -8.824 9.785 1.00 0.00 O ATOM 1133 CB ALA A 73 10.759 -9.147 11.694 1.00 0.00 C ATOM 0 H ALA A 73 10.884 -6.844 12.536 1.00 0.00 H new ATOM 0 HA ALA A 73 10.486 -7.850 9.991 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.621 -10.065 11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.824 -8.928 11.778 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.335 -9.273 12.690 1.00 0.00 H new ATOM 1139 N ILE A 74 7.793 -8.009 11.847 1.00 0.00 N ATOM 1140 CA ILE A 74 6.354 -8.249 11.811 1.00 0.00 C ATOM 1141 C ILE A 74 5.661 -7.258 10.875 1.00 0.00 C ATOM 1142 O ILE A 74 4.727 -7.619 10.159 1.00 0.00 O ATOM 1143 CB ILE A 74 5.763 -8.130 13.221 1.00 0.00 C ATOM 1144 CG1 ILE A 74 6.482 -9.115 14.157 1.00 0.00 C ATOM 1145 CG2 ILE A 74 4.261 -8.462 13.175 1.00 0.00 C ATOM 1146 CD1 ILE A 74 6.062 -8.862 15.605 1.00 0.00 C ATOM 0 H ILE A 74 8.131 -7.595 12.716 1.00 0.00 H new ATOM 0 HA ILE A 74 6.187 -9.258 11.435 1.00 0.00 H new ATOM 0 HB ILE A 74 5.897 -7.114 13.592 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.242 -10.140 13.874 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.562 -9.002 14.058 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.839 -8.378 14.176 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.754 -7.764 12.508 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.124 -9.479 12.808 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.576 -9.564 16.261 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.325 -7.843 15.887 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.985 -8.998 15.701 1.00 0.00 H new ATOM 1158 N ILE A 75 6.100 -6.000 10.916 1.00 0.00 N ATOM 1159 CA ILE A 75 5.490 -4.955 10.096 1.00 0.00 C ATOM 1160 C ILE A 75 5.641 -5.268 8.609 1.00 0.00 C ATOM 1161 O ILE A 75 4.679 -5.168 7.851 1.00 0.00 O ATOM 1162 CB ILE A 75 6.161 -3.595 10.416 1.00 0.00 C ATOM 1163 CG1 ILE A 75 5.633 -3.043 11.755 1.00 0.00 C ATOM 1164 CG2 ILE A 75 5.874 -2.554 9.307 1.00 0.00 C ATOM 1165 CD1 ILE A 75 5.885 -4.039 12.891 1.00 0.00 C ATOM 0 H ILE A 75 6.870 -5.682 11.504 1.00 0.00 H new ATOM 0 HA ILE A 75 4.426 -4.907 10.327 1.00 0.00 H new ATOM 0 HB ILE A 75 7.236 -3.766 10.477 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.122 -2.095 11.981 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.565 -2.839 11.674 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.358 -1.610 9.560 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.264 -2.918 8.356 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.798 -2.399 9.223 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.504 -3.628 13.826 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.375 -4.977 12.672 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.956 -4.221 12.984 1.00 0.00 H new ATOM 1177 N GLU A 76 6.848 -5.626 8.194 1.00 0.00 N ATOM 1178 CA GLU A 76 7.086 -5.920 6.789 1.00 0.00 C ATOM 1179 C GLU A 76 6.201 -7.078 6.328 1.00 0.00 C ATOM 1180 O GLU A 76 5.579 -7.019 5.267 1.00 0.00 O ATOM 1181 CB GLU A 76 8.569 -6.251 6.556 1.00 0.00 C ATOM 1182 CG GLU A 76 9.031 -7.319 7.546 1.00 0.00 C ATOM 1183 CD GLU A 76 10.509 -7.623 7.347 1.00 0.00 C ATOM 1184 OE1 GLU A 76 11.260 -6.694 7.119 1.00 0.00 O ATOM 1185 OE2 GLU A 76 10.867 -8.789 7.427 1.00 0.00 O ATOM 0 H GLU A 76 7.664 -5.719 8.798 1.00 0.00 H new ATOM 0 HA GLU A 76 6.832 -5.037 6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.715 -6.603 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.173 -5.351 6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.858 -6.977 8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.445 -8.228 7.410 1.00 0.00 H new ATOM 1192 N ALA A 77 6.147 -8.125 7.139 1.00 0.00 N ATOM 1193 CA ALA A 77 5.340 -9.295 6.829 1.00 0.00 C ATOM 1194 C ALA A 77 3.855 -8.965 6.885 1.00 0.00 C ATOM 1195 O ALA A 77 3.033 -9.691 6.335 1.00 0.00 O ATOM 1196 CB ALA A 77 5.660 -10.422 7.810 1.00 0.00 C ATOM 0 H ALA A 77 6.656 -8.187 8.021 1.00 0.00 H new ATOM 0 HA ALA A 77 5.580 -9.617 5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.052 -11.295 7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.716 -10.683 7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.441 -10.093 8.826 1.00 0.00 H new ATOM 1202 N ASP A 78 3.511 -7.881 7.582 1.00 0.00 N ATOM 1203 CA ASP A 78 2.112 -7.466 7.717 1.00 0.00 C ATOM 1204 C ASP A 78 1.641 -6.706 6.470 1.00 0.00 C ATOM 1205 O ASP A 78 0.564 -6.977 5.938 1.00 0.00 O ATOM 1206 CB ASP A 78 1.953 -6.573 8.951 1.00 0.00 C ATOM 1207 CG ASP A 78 0.470 -6.296 9.211 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.340 -6.674 8.382 1.00 0.00 O ATOM 1209 OD2 ASP A 78 0.170 -5.711 10.240 1.00 0.00 O ATOM 0 H ASP A 78 4.178 -7.276 8.060 1.00 0.00 H new ATOM 0 HA ASP A 78 1.500 -8.361 7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.399 -7.057 9.820 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.486 -5.634 8.801 1.00 0.00 H new ATOM 1214 N ILE A 79 2.454 -5.745 6.019 1.00 0.00 N ATOM 1215 CA ILE A 79 2.125 -4.935 4.837 1.00 0.00 C ATOM 1216 C ILE A 79 2.263 -5.743 3.552 1.00 0.00 C ATOM 1217 O ILE A 79 1.430 -5.635 2.655 1.00 0.00 O ATOM 1218 CB ILE A 79 3.021 -3.688 4.784 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.492 -4.123 4.682 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.804 -2.860 6.058 1.00 0.00 C ATOM 1221 CD1 ILE A 79 5.433 -2.915 4.759 1.00 0.00 C ATOM 0 H ILE A 79 3.346 -5.507 6.454 1.00 0.00 H new ATOM 0 HA ILE A 79 1.084 -4.623 4.922 1.00 0.00 H new ATOM 0 HB ILE A 79 2.768 -3.083 3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.725 -4.821 5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.653 -4.654 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.437 -1.973 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.759 -2.558 6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.062 -3.460 6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.466 -3.253 4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.215 -2.231 3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.288 -2.400 5.709 1.00 0.00 H new ATOM 1233 N LEU A 80 3.319 -6.559 3.468 1.00 0.00 N ATOM 1234 CA LEU A 80 3.550 -7.394 2.286 1.00 0.00 C ATOM 1235 C LEU A 80 2.223 -8.022 1.802 1.00 0.00 C ATOM 1236 O LEU A 80 1.784 -7.730 0.689 1.00 0.00 O ATOM 1237 CB LEU A 80 4.626 -8.468 2.608 1.00 0.00 C ATOM 1238 CG LEU A 80 6.067 -7.993 2.268 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.081 -8.842 3.062 1.00 0.00 C ATOM 1240 CD2 LEU A 80 6.346 -8.174 0.761 1.00 0.00 C ATOM 0 H LEU A 80 4.023 -6.658 4.200 1.00 0.00 H new ATOM 0 HA LEU A 80 3.927 -6.779 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.572 -8.725 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.406 -9.377 2.048 1.00 0.00 H new ATOM 0 HG LEU A 80 6.163 -6.940 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.093 -8.513 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.899 -8.722 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.968 -9.892 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.358 -7.838 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.246 -9.227 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.632 -7.586 0.185 1.00 0.00 H new ATOM 1252 N PRO A 81 1.553 -8.822 2.610 1.00 0.00 N ATOM 1253 CA PRO A 81 0.238 -9.420 2.229 1.00 0.00 C ATOM 1254 C PRO A 81 -0.657 -8.411 1.501 1.00 0.00 C ATOM 1255 O PRO A 81 -1.278 -8.738 0.491 1.00 0.00 O ATOM 1256 CB PRO A 81 -0.389 -9.796 3.590 1.00 0.00 C ATOM 1257 CG PRO A 81 0.768 -10.028 4.523 1.00 0.00 C ATOM 1258 CD PRO A 81 1.982 -9.271 3.942 1.00 0.00 C ATOM 0 HA PRO A 81 0.351 -10.262 1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.034 -8.998 3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.006 -10.690 3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.533 -9.667 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.984 -11.093 4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.258 -8.426 4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.856 -9.919 3.877 1.00 0.00 H new ATOM 1266 N MET A 82 -0.726 -7.193 2.037 1.00 0.00 N ATOM 1267 CA MET A 82 -1.559 -6.157 1.440 1.00 0.00 C ATOM 1268 C MET A 82 -1.016 -5.735 0.082 1.00 0.00 C ATOM 1269 O MET A 82 -1.776 -5.544 -0.868 1.00 0.00 O ATOM 1270 CB MET A 82 -1.628 -4.930 2.371 1.00 0.00 C ATOM 1271 CG MET A 82 -2.570 -3.855 1.778 1.00 0.00 C ATOM 1272 SD MET A 82 -1.656 -2.812 0.606 1.00 0.00 S ATOM 1273 CE MET A 82 -1.026 -1.601 1.798 1.00 0.00 C ATOM 0 H MET A 82 -0.220 -6.904 2.874 1.00 0.00 H new ATOM 0 HA MET A 82 -2.560 -6.567 1.303 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.985 -5.232 3.356 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.630 -4.513 2.508 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.410 -4.333 1.274 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.985 -3.241 2.578 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.460 -0.623 1.587 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.298 -1.909 2.808 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.059 -1.541 1.717 1.00 0.00 H new ATOM 1283 N LEU A 83 0.300 -5.576 -0.003 1.00 0.00 N ATOM 1284 CA LEU A 83 0.920 -5.162 -1.256 1.00 0.00 C ATOM 1285 C LEU A 83 0.697 -6.221 -2.329 1.00 0.00 C ATOM 1286 O LEU A 83 0.364 -5.906 -3.470 1.00 0.00 O ATOM 1287 CB LEU A 83 2.423 -4.950 -1.045 1.00 0.00 C ATOM 1288 CG LEU A 83 2.669 -3.844 0.001 1.00 0.00 C ATOM 1289 CD1 LEU A 83 4.173 -3.728 0.275 1.00 0.00 C ATOM 1290 CD2 LEU A 83 2.122 -2.483 -0.482 1.00 0.00 C ATOM 0 H LEU A 83 0.950 -5.725 0.769 1.00 0.00 H new ATOM 0 HA LEU A 83 0.465 -4.227 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.885 -5.880 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.894 -4.677 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 83 2.143 -4.114 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.349 -2.947 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.548 -4.678 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.693 -3.477 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.311 -1.725 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.619 -2.199 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.049 -2.563 -0.656 1.00 0.00 H new ATOM 1302 N ALA A 84 0.875 -7.480 -1.955 1.00 0.00 N ATOM 1303 CA ALA A 84 0.683 -8.571 -2.898 1.00 0.00 C ATOM 1304 C ALA A 84 -0.774 -8.649 -3.338 1.00 0.00 C ATOM 1305 O ALA A 84 -1.070 -8.965 -4.489 1.00 0.00 O ATOM 1306 CB ALA A 84 1.113 -9.894 -2.267 1.00 0.00 C ATOM 0 H ALA A 84 1.149 -7.769 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 84 1.300 -8.381 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.965 -10.703 -2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.167 -9.841 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.515 -10.083 -1.376 1.00 0.00 H new ATOM 1312 N GLY A 85 -1.683 -8.360 -2.413 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.109 -8.402 -2.719 1.00 0.00 C ATOM 1314 C GLY A 85 -3.464 -7.393 -3.806 1.00 0.00 C ATOM 1315 O GLY A 85 -4.288 -7.669 -4.678 1.00 0.00 O ATOM 0 H GLY A 85 -1.461 -8.096 -1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.385 -9.405 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.684 -8.189 -1.818 1.00 0.00 H new ATOM 1319 N LEU A 86 -2.835 -6.227 -3.746 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.088 -5.180 -4.727 1.00 0.00 C ATOM 1321 C LEU A 86 -2.587 -5.618 -6.099 1.00 0.00 C ATOM 1322 O LEU A 86 -3.234 -5.370 -7.116 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.377 -3.889 -4.299 1.00 0.00 C ATOM 1324 CG LEU A 86 -3.029 -3.307 -3.025 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -2.137 -2.178 -2.483 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.450 -2.755 -3.319 1.00 0.00 C ATOM 0 H LEU A 86 -2.149 -5.983 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.161 -4.997 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.322 -4.092 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.424 -3.157 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.126 -4.103 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.587 -1.759 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.151 -2.576 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.040 -1.397 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.881 -2.353 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.386 -1.965 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.082 -3.559 -3.695 1.00 0.00 H new ATOM 1338 N ALA A 87 -1.434 -6.272 -6.120 1.00 0.00 N ATOM 1339 CA ALA A 87 -0.859 -6.742 -7.372 1.00 0.00 C ATOM 1340 C ALA A 87 -1.863 -7.614 -8.122 1.00 0.00 C ATOM 1341 O ALA A 87 -1.973 -7.540 -9.346 1.00 0.00 O ATOM 1342 CB ALA A 87 0.411 -7.540 -7.084 1.00 0.00 C ATOM 0 H ALA A 87 -0.882 -6.488 -5.290 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.612 -5.882 -7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.841 -7.891 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.132 -6.904 -6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.168 -8.395 -6.453 1.00 0.00 H new ATOM 1348 N GLN A 88 -2.597 -8.435 -7.379 1.00 0.00 N ATOM 1349 CA GLN A 88 -3.595 -9.315 -7.978 1.00 0.00 C ATOM 1350 C GLN A 88 -4.701 -8.505 -8.653 1.00 0.00 C ATOM 1351 O GLN A 88 -5.394 -9.007 -9.540 1.00 0.00 O ATOM 1352 CB GLN A 88 -4.205 -10.224 -6.907 1.00 0.00 C ATOM 1353 CG GLN A 88 -3.136 -11.180 -6.377 1.00 0.00 C ATOM 1354 CD GLN A 88 -3.731 -12.078 -5.301 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -4.797 -12.663 -5.498 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -3.104 -12.222 -4.167 1.00 0.00 N ATOM 0 H GLN A 88 -2.521 -8.510 -6.365 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.100 -9.925 -8.733 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.607 -9.623 -6.091 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.037 -10.789 -7.326 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.742 -11.787 -7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.299 -10.613 -5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.221 -11.736 -4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.496 -12.820 -3.440 1.00 0.00 H new ATOM 1365 N LYS A 89 -4.869 -7.252 -8.227 1.00 0.00 N ATOM 1366 CA LYS A 89 -5.905 -6.378 -8.791 1.00 0.00 C ATOM 1367 C LYS A 89 -5.337 -5.568 -9.952 1.00 0.00 C ATOM 1368 O LYS A 89 -6.060 -4.830 -10.617 1.00 0.00 O ATOM 1369 CB LYS A 89 -6.421 -5.424 -7.709 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.128 -6.227 -6.616 1.00 0.00 C ATOM 1371 CD LYS A 89 -7.636 -5.275 -5.534 1.00 0.00 C ATOM 1372 CE LYS A 89 -8.394 -6.067 -4.469 1.00 0.00 C ATOM 1373 NZ LYS A 89 -7.458 -7.009 -3.793 1.00 0.00 N ATOM 0 H LYS A 89 -4.305 -6.819 -7.496 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.725 -6.996 -9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.592 -4.859 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.109 -4.700 -8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.960 -6.788 -7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.442 -6.955 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.799 -4.744 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.289 -4.522 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.834 -5.387 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.215 -6.619 -4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.870 -7.320 -2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.296 -7.836 -4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.553 -6.530 -3.613 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.037 -5.726 -10.187 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.359 -5.021 -11.272 1.00 0.00 C ATOM 1389 C ARG A 90 -3.422 -3.514 -11.054 1.00 0.00 C ATOM 1390 O ARG A 90 -3.888 -2.768 -11.914 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.000 -5.384 -12.622 1.00 0.00 C ATOM 1392 CG ARG A 90 -3.088 -4.953 -13.779 1.00 0.00 C ATOM 1393 CD ARG A 90 -3.770 -5.278 -15.106 1.00 0.00 C ATOM 1394 NE ARG A 90 -3.917 -6.725 -15.252 1.00 0.00 N ATOM 1395 CZ ARG A 90 -2.907 -7.485 -15.669 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -3.070 -8.772 -15.798 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -1.752 -6.942 -15.943 1.00 0.00 N ATOM 0 H ARG A 90 -3.431 -6.337 -9.640 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.313 -5.327 -11.281 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.177 -6.458 -12.671 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.970 -4.896 -12.714 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.881 -3.885 -13.715 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.130 -5.468 -13.713 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.748 -4.799 -15.148 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.183 -4.879 -15.933 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.812 -7.161 -15.030 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.971 -9.196 -15.579 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.296 -9.355 -16.118 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.624 -5.936 -15.837 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.978 -7.524 -16.263 1.00 0.00 H new ATOM 1411 N VAL A 91 -2.956 -3.066 -9.890 1.00 0.00 N ATOM 1412 CA VAL A 91 -2.958 -1.636 -9.560 1.00 0.00 C ATOM 1413 C VAL A 91 -1.689 -1.269 -8.807 1.00 0.00 C ATOM 1414 O VAL A 91 -1.535 -0.138 -8.343 1.00 0.00 O ATOM 1415 CB VAL A 91 -4.186 -1.294 -8.713 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -5.453 -1.645 -9.497 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -4.151 -2.092 -7.402 1.00 0.00 C ATOM 0 H VAL A 91 -2.573 -3.667 -9.160 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.996 -1.063 -10.486 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.183 -0.229 -8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.331 -1.403 -8.897 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.478 -1.072 -10.424 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.454 -2.710 -9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.027 -1.845 -6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.153 -3.159 -7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.248 -1.839 -6.846 1.00 0.00 H new ATOM 1427 N LEU A 92 -0.772 -2.234 -8.690 1.00 0.00 N ATOM 1428 CA LEU A 92 0.501 -2.013 -7.993 1.00 0.00 C ATOM 1429 C LEU A 92 1.640 -2.692 -8.740 1.00 0.00 C ATOM 1430 O LEU A 92 1.557 -3.868 -9.095 1.00 0.00 O ATOM 1431 CB LEU A 92 0.423 -2.560 -6.556 1.00 0.00 C ATOM 1432 CG LEU A 92 1.775 -2.389 -5.818 1.00 0.00 C ATOM 1433 CD1 LEU A 92 2.213 -0.908 -5.786 1.00 0.00 C ATOM 1434 CD2 LEU A 92 1.628 -2.918 -4.386 1.00 0.00 C ATOM 0 H LEU A 92 -0.886 -3.175 -9.068 1.00 0.00 H new ATOM 0 HA LEU A 92 0.692 -0.940 -7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.362 -2.039 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.149 -3.615 -6.580 1.00 0.00 H new ATOM 0 HG LEU A 92 2.540 -2.952 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.165 -0.821 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.326 -0.540 -6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.458 -0.316 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.574 -2.803 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.851 -2.355 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.354 -3.973 -4.414 1.00 0.00 H new ATOM 1446 N GLU A 93 2.713 -1.936 -8.962 1.00 0.00 N ATOM 1447 CA GLU A 93 3.890 -2.455 -9.653 1.00 0.00 C ATOM 1448 C GLU A 93 5.135 -1.667 -9.255 1.00 0.00 C ATOM 1449 O GLU A 93 5.115 -0.437 -9.195 1.00 0.00 O ATOM 1450 CB GLU A 93 3.686 -2.384 -11.169 1.00 0.00 C ATOM 1451 CG GLU A 93 3.338 -0.953 -11.582 1.00 0.00 C ATOM 1452 CD GLU A 93 3.018 -0.906 -13.072 1.00 0.00 C ATOM 1453 OE1 GLU A 93 3.624 -1.664 -13.813 1.00 0.00 O ATOM 1454 OE2 GLU A 93 2.169 -0.116 -13.451 1.00 0.00 O ATOM 0 H GLU A 93 2.791 -0.961 -8.673 1.00 0.00 H new ATOM 0 HA GLU A 93 4.030 -3.496 -9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.591 -2.710 -11.682 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.888 -3.063 -11.469 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.484 -0.597 -11.006 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.172 -0.288 -11.359 1.00 0.00 H new ATOM 1461 N ARG A 94 6.216 -2.388 -8.989 1.00 0.00 N ATOM 1462 CA ARG A 94 7.468 -1.752 -8.605 1.00 0.00 C ATOM 1463 C ARG A 94 8.017 -0.921 -9.761 1.00 0.00 C ATOM 1464 O ARG A 94 7.755 -1.282 -10.897 1.00 0.00 O ATOM 1465 CB ARG A 94 8.490 -2.817 -8.192 1.00 0.00 C ATOM 1466 CG ARG A 94 8.618 -3.866 -9.298 1.00 0.00 C ATOM 1467 CD ARG A 94 9.649 -4.920 -8.889 1.00 0.00 C ATOM 1468 NE ARG A 94 10.982 -4.332 -8.850 1.00 0.00 N ATOM 1469 CZ ARG A 94 12.042 -5.056 -8.503 1.00 0.00 C ATOM 1470 NH1 ARG A 94 13.225 -4.505 -8.473 1.00 0.00 N ATOM 1471 NH2 ARG A 94 11.901 -6.317 -8.198 1.00 0.00 N ATOM 1472 OXT ARG A 94 8.687 0.061 -9.494 1.00 0.00 O ATOM 0 H ARG A 94 6.251 -3.406 -9.032 1.00 0.00 H new ATOM 0 HA ARG A 94 7.280 -1.091 -7.759 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.458 -2.352 -8.005 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.179 -3.292 -7.262 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.652 -4.338 -9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.920 -3.390 -10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.395 -5.328 -7.911 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.630 -5.750 -9.595 1.00 0.00 H new ATOM 0 HE ARG A 94 11.104 -3.349 -9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 94 13.335 -3.520 -8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.039 -5.059 -8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.977 -6.748 -8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 94 12.715 -6.871 -7.932 1.00 0.00 H new TER 1486 ARG A 94