USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 760 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 10 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 168:sc= 0 (180deg=-0.0577) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.064) USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00153) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= -0.036 (180deg=-0.0926) USER MOD Single : A 14 GLN : amide:sc= -0.295 K(o=-0.29,f=-1.4) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -137:sc= -0.173 (180deg=-1.09) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -119:sc= 0.244 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.049) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -147:sc= 0 (180deg=-1.02) USER MOD Single : A 38 SER OG : rot 180:sc= -0.506 USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= -0.165 (180deg=-0.61) USER MOD Single : A 56 GLN : amide:sc= 0.119 X(o=0.12,f=-0.047) USER MOD Single : A 59 SER OG : rot -105:sc=-0.000572 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -6.38 K(o=-6.4,f=-13!) USER MOD Single : A 77 MET CE :methyl -123:sc= -3.42! (180deg=-4.83!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -92:sc= 1.08 USER MOD Single : A 81 SER OG : rot 180:sc= 0.123 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.116) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.556 F(o=-1.1,f=-0.56) USER MOD Single : B 101 SER OG : rot 28:sc= -0.901 USER MOD Single : B 102 THR OG1 : rot 94:sc= -1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.025 9.992 -20.884 1.00 0.00 N ATOM 2 CA MET A 1 -5.494 9.845 -21.087 1.00 0.00 C ATOM 3 C MET A 1 -6.065 8.675 -20.281 1.00 0.00 C ATOM 4 O MET A 1 -7.201 8.744 -19.810 1.00 0.00 O ATOM 5 CB MET A 1 -5.771 9.647 -22.581 1.00 0.00 C ATOM 6 CG MET A 1 -7.102 10.228 -23.035 1.00 0.00 C ATOM 7 SD MET A 1 -6.917 11.794 -23.909 1.00 0.00 S ATOM 8 CE MET A 1 -6.247 11.234 -25.472 1.00 0.00 C ATOM 0 H1 MET A 1 -3.696 10.862 -21.349 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.819 10.044 -19.866 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.534 9.173 -21.295 1.00 0.00 H new ATOM 0 HA MET A 1 -5.986 10.750 -20.731 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.968 10.108 -23.155 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.753 8.581 -22.807 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.604 9.511 -23.685 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.744 10.375 -22.167 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.277 12.050 -26.194 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.215 10.911 -25.331 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.841 10.399 -25.844 1.00 0.00 H new ATOM 20 N LYS A 2 -5.280 7.602 -20.125 1.00 0.00 N ATOM 21 CA LYS A 2 -5.725 6.425 -19.374 1.00 0.00 C ATOM 22 C LYS A 2 -6.118 6.805 -17.946 1.00 0.00 C ATOM 23 O LYS A 2 -5.276 7.239 -17.156 1.00 0.00 O ATOM 24 CB LYS A 2 -4.628 5.353 -19.346 1.00 0.00 C ATOM 25 CG LYS A 2 -5.152 3.931 -19.494 1.00 0.00 C ATOM 26 CD LYS A 2 -4.742 3.319 -20.825 1.00 0.00 C ATOM 27 CE LYS A 2 -4.426 1.836 -20.690 1.00 0.00 C ATOM 28 NZ LYS A 2 -5.627 1.039 -20.306 1.00 0.00 N ATOM 0 H LYS A 2 -4.338 7.526 -20.508 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.601 6.019 -19.880 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.917 5.553 -20.148 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.080 5.432 -18.407 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.773 3.316 -18.678 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.239 3.933 -19.413 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.544 3.456 -21.551 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.869 3.843 -21.213 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.031 1.463 -21.635 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.646 1.699 -19.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.370 0.033 -20.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.980 1.366 -19.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.369 1.162 -21.024 1.00 0.00 H new ATOM 42 N GLU A 3 -7.401 6.641 -17.624 1.00 0.00 N ATOM 43 CA GLU A 3 -7.910 6.965 -16.295 1.00 0.00 C ATOM 44 C GLU A 3 -8.094 5.700 -15.458 1.00 0.00 C ATOM 45 O GLU A 3 -9.064 4.961 -15.641 1.00 0.00 O ATOM 46 CB GLU A 3 -9.237 7.725 -16.399 1.00 0.00 C ATOM 47 CG GLU A 3 -9.248 9.034 -15.621 1.00 0.00 C ATOM 48 CD GLU A 3 -10.095 10.109 -16.277 1.00 0.00 C ATOM 49 OE1 GLU A 3 -10.030 10.249 -17.518 1.00 0.00 O ATOM 50 OE2 GLU A 3 -10.822 10.816 -15.547 1.00 0.00 O ATOM 0 H GLU A 3 -8.107 6.285 -18.268 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.177 7.602 -15.800 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.447 7.933 -17.448 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.042 7.087 -16.034 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.623 8.848 -14.614 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.226 9.398 -15.519 1.00 0.00 H new ATOM 57 N PRO A 4 -7.154 5.434 -14.527 1.00 0.00 N ATOM 58 CA PRO A 4 -7.207 4.250 -13.656 1.00 0.00 C ATOM 59 C PRO A 4 -8.334 4.328 -12.621 1.00 0.00 C ATOM 60 O PRO A 4 -9.169 5.234 -12.667 1.00 0.00 O ATOM 61 CB PRO A 4 -5.838 4.258 -12.967 1.00 0.00 C ATOM 62 CG PRO A 4 -5.411 5.684 -12.986 1.00 0.00 C ATOM 63 CD PRO A 4 -5.962 6.264 -14.257 1.00 0.00 C ATOM 0 HA PRO A 4 -7.412 3.340 -14.219 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.906 3.879 -11.947 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.125 3.625 -13.495 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.793 6.217 -12.116 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.324 5.766 -12.958 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.224 7.315 -14.138 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.240 6.206 -15.071 1.00 0.00 H new ATOM 71 N GLU A 5 -8.352 3.371 -11.688 1.00 0.00 N ATOM 72 CA GLU A 5 -9.375 3.329 -10.647 1.00 0.00 C ATOM 73 C GLU A 5 -8.745 3.218 -9.261 1.00 0.00 C ATOM 74 O GLU A 5 -8.274 2.150 -8.860 1.00 0.00 O ATOM 75 CB GLU A 5 -10.327 2.155 -10.887 1.00 0.00 C ATOM 76 CG GLU A 5 -11.641 2.270 -10.126 1.00 0.00 C ATOM 77 CD GLU A 5 -12.599 1.133 -10.429 1.00 0.00 C ATOM 78 OE1 GLU A 5 -12.205 -0.041 -10.255 1.00 0.00 O ATOM 79 OE2 GLU A 5 -13.745 1.416 -10.837 1.00 0.00 O ATOM 0 H GLU A 5 -7.668 2.616 -11.635 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.939 4.261 -10.691 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.540 2.083 -11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.829 1.229 -10.598 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.435 2.290 -9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.118 3.217 -10.376 1.00 0.00 H new ATOM 86 N ILE A 6 -8.745 4.333 -8.537 1.00 0.00 N ATOM 87 CA ILE A 6 -8.179 4.389 -7.193 1.00 0.00 C ATOM 88 C ILE A 6 -9.287 4.369 -6.137 1.00 0.00 C ATOM 89 O ILE A 6 -10.336 4.992 -6.319 1.00 0.00 O ATOM 90 CB ILE A 6 -7.322 5.661 -7.008 1.00 0.00 C ATOM 91 CG1 ILE A 6 -6.289 5.784 -8.133 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.631 5.659 -5.651 1.00 0.00 C ATOM 93 CD1 ILE A 6 -6.057 7.209 -8.587 1.00 0.00 C ATOM 0 H ILE A 6 -9.134 5.218 -8.862 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.546 3.511 -7.066 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.986 6.524 -7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.343 5.360 -7.795 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.619 5.189 -8.985 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.034 6.565 -5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.381 5.625 -4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.983 4.786 -5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.314 7.220 -9.385 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.992 7.630 -8.956 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.697 7.804 -7.748 1.00 0.00 H new ATOM 105 N ILE A 7 -9.048 3.655 -5.032 1.00 0.00 N ATOM 106 CA ILE A 7 -10.029 3.562 -3.947 1.00 0.00 C ATOM 107 C ILE A 7 -9.344 3.467 -2.583 1.00 0.00 C ATOM 108 O ILE A 7 -8.224 2.964 -2.473 1.00 0.00 O ATOM 109 CB ILE A 7 -10.969 2.344 -4.118 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.163 1.044 -4.220 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.863 2.519 -5.338 1.00 0.00 C ATOM 112 CD1 ILE A 7 -10.809 -0.124 -3.505 1.00 0.00 C ATOM 0 H ILE A 7 -8.186 3.135 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.622 4.475 -3.995 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.605 2.281 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.032 0.789 -5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.168 1.209 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.515 1.651 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.469 3.417 -5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.245 2.614 -6.231 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.185 -1.010 -3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.916 0.112 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.792 -0.315 -3.935 1.00 0.00 H new ATOM 124 N THR A 8 -10.032 3.948 -1.546 1.00 0.00 N ATOM 125 CA THR A 8 -9.501 3.918 -0.182 1.00 0.00 C ATOM 126 C THR A 8 -10.312 2.967 0.700 1.00 0.00 C ATOM 127 O THR A 8 -11.541 2.918 0.607 1.00 0.00 O ATOM 128 CB THR A 8 -9.509 5.326 0.429 1.00 0.00 C ATOM 129 OG1 THR A 8 -9.259 6.313 -0.558 1.00 0.00 O ATOM 130 CG2 THR A 8 -8.487 5.509 1.532 1.00 0.00 C ATOM 0 H THR A 8 -10.960 4.364 -1.625 1.00 0.00 H new ATOM 0 HA THR A 8 -8.474 3.556 -0.231 1.00 0.00 H new ATOM 0 HB THR A 8 -10.505 5.443 0.855 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.271 7.201 -0.143 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.547 6.526 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.690 4.802 2.337 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.488 5.330 1.135 1.00 0.00 H new ATOM 138 N VAL A 9 -9.615 2.219 1.558 1.00 0.00 N ATOM 139 CA VAL A 9 -10.266 1.273 2.465 1.00 0.00 C ATOM 140 C VAL A 9 -9.912 1.571 3.920 1.00 0.00 C ATOM 141 O VAL A 9 -8.736 1.685 4.273 1.00 0.00 O ATOM 142 CB VAL A 9 -9.883 -0.188 2.141 1.00 0.00 C ATOM 143 CG1 VAL A 9 -10.558 -0.642 0.856 1.00 0.00 C ATOM 144 CG2 VAL A 9 -8.371 -0.349 2.041 1.00 0.00 C ATOM 0 H VAL A 9 -8.599 2.251 1.643 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.340 1.394 2.322 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.233 -0.819 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.277 -1.673 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.640 -0.577 0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.241 -0.002 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.130 -1.387 1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.988 0.295 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.912 -0.071 2.990 1.00 0.00 H new ATOM 154 N THR A 10 -10.938 1.695 4.761 1.00 0.00 N ATOM 155 CA THR A 10 -10.739 1.980 6.179 1.00 0.00 C ATOM 156 C THR A 10 -11.065 0.753 7.033 1.00 0.00 C ATOM 157 O THR A 10 -12.221 0.335 7.118 1.00 0.00 O ATOM 158 CB THR A 10 -11.604 3.170 6.609 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.464 4.250 5.701 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.266 3.687 7.991 1.00 0.00 C ATOM 0 H THR A 10 -11.915 1.602 4.484 1.00 0.00 H new ATOM 0 HA THR A 10 -9.690 2.233 6.331 1.00 0.00 H new ATOM 0 HB THR A 10 -12.627 2.793 6.618 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.026 4.998 5.993 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.915 4.529 8.233 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.414 2.893 8.723 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.226 4.012 8.013 1.00 0.00 H new ATOM 168 N LEU A 11 -10.036 0.179 7.659 1.00 0.00 N ATOM 169 CA LEU A 11 -10.206 -1.006 8.503 1.00 0.00 C ATOM 170 C LEU A 11 -9.359 -0.905 9.774 1.00 0.00 C ATOM 171 O LEU A 11 -8.421 -0.111 9.840 1.00 0.00 O ATOM 172 CB LEU A 11 -9.820 -2.270 7.727 1.00 0.00 C ATOM 173 CG LEU A 11 -10.658 -2.552 6.476 1.00 0.00 C ATOM 174 CD1 LEU A 11 -9.797 -3.164 5.380 1.00 0.00 C ATOM 175 CD2 LEU A 11 -11.828 -3.466 6.814 1.00 0.00 C ATOM 0 H LEU A 11 -9.075 0.516 7.598 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.256 -1.063 8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.773 -2.190 7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.898 -3.126 8.397 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.056 -1.606 6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.411 -3.357 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.995 -2.473 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.368 -4.101 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.413 -3.656 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.451 -4.410 7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.459 -2.987 7.563 1.00 0.00 H new ATOM 187 N LYS A 12 -9.691 -1.719 10.777 1.00 0.00 N ATOM 188 CA LYS A 12 -8.953 -1.724 12.042 1.00 0.00 C ATOM 189 C LYS A 12 -7.926 -2.859 12.070 1.00 0.00 C ATOM 190 O LYS A 12 -7.846 -3.657 11.136 1.00 0.00 O ATOM 191 CB LYS A 12 -9.920 -1.861 13.223 1.00 0.00 C ATOM 192 CG LYS A 12 -10.231 -0.542 13.917 1.00 0.00 C ATOM 193 CD LYS A 12 -11.281 0.256 13.157 1.00 0.00 C ATOM 194 CE LYS A 12 -12.128 1.106 14.094 1.00 0.00 C ATOM 195 NZ LYS A 12 -13.432 1.486 13.479 1.00 0.00 N ATOM 0 H LYS A 12 -10.465 -2.383 10.739 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.421 -0.776 12.128 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.851 -2.303 12.869 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.495 -2.553 13.950 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.584 -0.737 14.930 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.318 0.048 14.005 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.791 0.899 12.425 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.925 -0.426 12.602 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.309 0.556 15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.578 2.008 14.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.977 2.064 14.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.260 2.033 12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.969 0.627 13.246 1.00 0.00 H new ATOM 209 N LYS A 13 -7.140 -2.925 13.146 1.00 0.00 N ATOM 210 CA LYS A 13 -6.116 -3.963 13.290 1.00 0.00 C ATOM 211 C LYS A 13 -6.530 -5.017 14.319 1.00 0.00 C ATOM 212 O LYS A 13 -7.253 -4.720 15.271 1.00 0.00 O ATOM 213 CB LYS A 13 -4.779 -3.343 13.705 1.00 0.00 C ATOM 214 CG LYS A 13 -4.093 -2.556 12.598 1.00 0.00 C ATOM 215 CD LYS A 13 -3.846 -1.112 13.013 1.00 0.00 C ATOM 216 CE LYS A 13 -2.455 -0.927 13.607 1.00 0.00 C ATOM 217 NZ LYS A 13 -2.259 -1.739 14.842 1.00 0.00 N ATOM 0 H LYS A 13 -7.192 -2.274 13.929 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.006 -4.450 12.321 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.945 -2.683 14.557 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.111 -4.136 14.041 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.145 -3.031 12.346 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.709 -2.577 11.699 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.962 -0.460 12.148 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.597 -0.810 13.743 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.705 -1.207 12.867 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.297 0.127 13.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.332 -1.519 15.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.009 -1.515 15.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.299 -2.750 14.603 1.00 0.00 H new ATOM 231 N GLN A 14 -6.055 -6.248 14.120 1.00 0.00 N ATOM 232 CA GLN A 14 -6.359 -7.354 15.029 1.00 0.00 C ATOM 233 C GLN A 14 -5.081 -8.112 15.401 1.00 0.00 C ATOM 234 O GLN A 14 -4.726 -8.208 16.576 1.00 0.00 O ATOM 235 CB GLN A 14 -7.385 -8.313 14.400 1.00 0.00 C ATOM 236 CG GLN A 14 -7.210 -8.529 12.901 1.00 0.00 C ATOM 237 CD GLN A 14 -8.415 -8.074 12.095 1.00 0.00 C ATOM 238 OE1 GLN A 14 -8.927 -8.814 11.254 1.00 0.00 O ATOM 239 NE2 GLN A 14 -8.875 -6.853 12.347 1.00 0.00 N ATOM 0 H GLN A 14 -5.456 -6.504 13.335 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.792 -6.936 15.938 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.319 -9.277 14.904 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.387 -7.925 14.584 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.327 -7.988 12.562 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.029 -9.587 12.710 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.421 -6.272 13.052 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.682 -6.496 11.835 1.00 0.00 H new ATOM 248 N ASN A 15 -4.389 -8.639 14.389 1.00 0.00 N ATOM 249 CA ASN A 15 -3.145 -9.378 14.600 1.00 0.00 C ATOM 250 C ASN A 15 -2.106 -8.993 13.543 1.00 0.00 C ATOM 251 O ASN A 15 -1.323 -9.832 13.090 1.00 0.00 O ATOM 252 CB ASN A 15 -3.409 -10.889 14.563 1.00 0.00 C ATOM 253 CG ASN A 15 -3.831 -11.433 15.915 1.00 0.00 C ATOM 254 OD1 ASN A 15 -4.978 -11.270 16.330 1.00 0.00 O ATOM 255 ND2 ASN A 15 -2.903 -12.079 16.617 1.00 0.00 N ATOM 0 H ASN A 15 -4.672 -8.567 13.412 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.751 -9.117 15.582 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.187 -11.102 13.829 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.508 -11.405 14.231 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.132 -12.460 17.535 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.963 -12.193 16.237 1.00 0.00 H new ATOM 262 N GLY A 16 -2.110 -7.716 13.150 1.00 0.00 N ATOM 263 CA GLY A 16 -1.174 -7.238 12.146 1.00 0.00 C ATOM 264 C GLY A 16 -1.746 -7.328 10.743 1.00 0.00 C ATOM 265 O GLY A 16 -2.603 -8.172 10.472 1.00 0.00 O ATOM 0 H GLY A 16 -2.747 -7.006 13.511 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.908 -6.203 12.363 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.255 -7.822 12.201 1.00 0.00 H new ATOM 269 N MET A 17 -1.275 -6.459 9.849 1.00 0.00 N ATOM 270 CA MET A 17 -1.749 -6.451 8.467 1.00 0.00 C ATOM 271 C MET A 17 -1.376 -7.753 7.760 1.00 0.00 C ATOM 272 O MET A 17 -2.223 -8.386 7.129 1.00 0.00 O ATOM 273 CB MET A 17 -1.170 -5.253 7.703 1.00 0.00 C ATOM 274 CG MET A 17 -1.832 -3.929 8.058 1.00 0.00 C ATOM 275 SD MET A 17 -2.198 -2.922 6.606 1.00 0.00 S ATOM 276 CE MET A 17 -0.779 -1.829 6.575 1.00 0.00 C ATOM 0 H MET A 17 -0.568 -5.754 10.057 1.00 0.00 H new ATOM 0 HA MET A 17 -2.835 -6.363 8.484 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.102 -5.183 7.909 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.278 -5.428 6.633 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.756 -4.124 8.602 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.179 -3.369 8.728 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.107 -0.812 6.359 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.281 -1.851 7.544 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.084 -2.157 5.802 1.00 0.00 H new ATOM 286 N GLY A 18 -0.106 -8.149 7.879 1.00 0.00 N ATOM 287 CA GLY A 18 0.358 -9.377 7.257 1.00 0.00 C ATOM 288 C GLY A 18 0.188 -9.377 5.748 1.00 0.00 C ATOM 289 O GLY A 18 -0.785 -9.922 5.231 1.00 0.00 O ATOM 0 H GLY A 18 0.609 -7.638 8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.410 -9.525 7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.188 -10.221 7.679 1.00 0.00 H new ATOM 293 N LEU A 19 1.139 -8.765 5.043 1.00 0.00 N ATOM 294 CA LEU A 19 1.100 -8.703 3.578 1.00 0.00 C ATOM 295 C LEU A 19 2.488 -8.388 3.010 1.00 0.00 C ATOM 296 O LEU A 19 3.450 -8.219 3.761 1.00 0.00 O ATOM 297 CB LEU A 19 0.070 -7.670 3.105 1.00 0.00 C ATOM 298 CG LEU A 19 0.344 -6.231 3.536 1.00 0.00 C ATOM 299 CD1 LEU A 19 1.101 -5.486 2.446 1.00 0.00 C ATOM 300 CD2 LEU A 19 -0.954 -5.512 3.878 1.00 0.00 C ATOM 0 H LEU A 19 1.947 -8.304 5.461 1.00 0.00 H new ATOM 0 HA LEU A 19 0.795 -9.681 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.020 -7.703 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.912 -7.963 3.478 1.00 0.00 H new ATOM 0 HG LEU A 19 0.963 -6.253 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.289 -4.462 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.051 -5.986 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.507 -5.476 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.734 -4.489 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.604 -5.499 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.455 -6.033 4.694 1.00 0.00 H new ATOM 312 N SER A 20 2.584 -8.313 1.683 1.00 0.00 N ATOM 313 CA SER A 20 3.856 -8.025 1.018 1.00 0.00 C ATOM 314 C SER A 20 3.708 -6.891 0.007 1.00 0.00 C ATOM 315 O SER A 20 2.674 -6.769 -0.651 1.00 0.00 O ATOM 316 CB SER A 20 4.382 -9.280 0.317 1.00 0.00 C ATOM 317 OG SER A 20 4.889 -10.211 1.257 1.00 0.00 O ATOM 0 H SER A 20 1.798 -8.447 1.047 1.00 0.00 H new ATOM 0 HA SER A 20 4.569 -7.712 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.581 -9.741 -0.261 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.167 -9.005 -0.388 1.00 0.00 H new ATOM 0 HG SER A 20 5.218 -11.005 0.786 1.00 0.00 H new ATOM 323 N ILE A 21 4.752 -6.066 -0.120 1.00 0.00 N ATOM 324 CA ILE A 21 4.730 -4.943 -1.060 1.00 0.00 C ATOM 325 C ILE A 21 6.078 -4.761 -1.759 1.00 0.00 C ATOM 326 O ILE A 21 7.132 -5.005 -1.169 1.00 0.00 O ATOM 327 CB ILE A 21 4.342 -3.619 -0.367 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.212 -3.373 0.869 1.00 0.00 C ATOM 329 CG2 ILE A 21 2.867 -3.630 0.004 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.472 -2.596 0.565 1.00 0.00 C ATOM 0 H ILE A 21 5.617 -6.154 0.413 1.00 0.00 H new ATOM 0 HA ILE A 21 3.972 -5.189 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 21 4.517 -2.801 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.629 -2.831 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.482 -4.332 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.607 -2.690 0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.266 -3.749 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.669 -4.459 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.043 -2.456 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.074 -3.148 -0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.208 -1.623 0.150 1.00 0.00 H new ATOM 342 N VAL A 22 6.031 -4.328 -3.022 1.00 0.00 N ATOM 343 CA VAL A 22 7.244 -4.111 -3.811 1.00 0.00 C ATOM 344 C VAL A 22 7.214 -2.760 -4.527 1.00 0.00 C ATOM 345 O VAL A 22 6.193 -2.369 -5.094 1.00 0.00 O ATOM 346 CB VAL A 22 7.438 -5.225 -4.869 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.788 -5.096 -5.563 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.290 -6.603 -4.241 1.00 0.00 C ATOM 0 H VAL A 22 5.165 -4.121 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 22 8.076 -4.129 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 22 6.658 -5.106 -5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.896 -5.892 -6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.850 -4.129 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.586 -5.175 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.431 -7.368 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.039 -6.729 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.294 -6.701 -3.809 1.00 0.00 H new ATOM 358 N ALA A 23 8.349 -2.060 -4.502 1.00 0.00 N ATOM 359 CA ALA A 23 8.472 -0.760 -5.159 1.00 0.00 C ATOM 360 C ALA A 23 8.713 -0.933 -6.659 1.00 0.00 C ATOM 361 O ALA A 23 9.168 -1.992 -7.102 1.00 0.00 O ATOM 362 CB ALA A 23 9.598 0.049 -4.527 1.00 0.00 C ATOM 0 H ALA A 23 9.198 -2.374 -4.032 1.00 0.00 H new ATOM 0 HA ALA A 23 7.536 -0.217 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.677 1.014 -5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.385 0.204 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.538 -0.492 -4.632 1.00 0.00 H new ATOM 368 N ALA A 24 8.418 0.106 -7.439 1.00 0.00 N ATOM 369 CA ALA A 24 8.614 0.055 -8.887 1.00 0.00 C ATOM 370 C ALA A 24 8.696 1.456 -9.487 1.00 0.00 C ATOM 371 O ALA A 24 7.974 2.365 -9.069 1.00 0.00 O ATOM 372 CB ALA A 24 7.502 -0.742 -9.556 1.00 0.00 C ATOM 0 H ALA A 24 8.044 0.990 -7.094 1.00 0.00 H new ATOM 0 HA ALA A 24 9.563 -0.448 -9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.669 -0.766 -10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.499 -1.760 -9.166 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.541 -0.271 -9.348 1.00 0.00 H new ATOM 378 N LYS A 25 9.581 1.618 -10.469 1.00 0.00 N ATOM 379 CA LYS A 25 9.771 2.901 -11.141 1.00 0.00 C ATOM 380 C LYS A 25 9.632 2.747 -12.655 1.00 0.00 C ATOM 381 O LYS A 25 9.388 1.647 -13.158 1.00 0.00 O ATOM 382 CB LYS A 25 11.147 3.482 -10.797 1.00 0.00 C ATOM 383 CG LYS A 25 11.092 4.913 -10.288 1.00 0.00 C ATOM 384 CD LYS A 25 12.410 5.331 -9.655 1.00 0.00 C ATOM 385 CE LYS A 25 12.525 6.844 -9.552 1.00 0.00 C ATOM 386 NZ LYS A 25 13.338 7.419 -10.661 1.00 0.00 N ATOM 0 H LYS A 25 10.181 0.871 -10.818 1.00 0.00 H new ATOM 0 HA LYS A 25 8.999 3.586 -10.791 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.619 2.854 -10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.780 3.444 -11.683 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.854 5.585 -11.113 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.289 5.010 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.493 4.890 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.238 4.942 -10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.528 7.285 -9.567 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.977 7.109 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.170 7.903 -10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.649 6.656 -11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.763 8.101 -11.196 1.00 0.00 H new ATOM 400 N GLY A 26 9.793 3.856 -13.377 1.00 0.00 N ATOM 401 CA GLY A 26 9.689 3.829 -14.821 1.00 0.00 C ATOM 402 C GLY A 26 10.398 5.006 -15.448 1.00 0.00 C ATOM 403 O GLY A 26 11.463 5.417 -14.977 1.00 0.00 O ATOM 0 H GLY A 26 9.994 4.774 -12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.116 2.901 -15.201 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.639 3.838 -15.112 1.00 0.00 H new ATOM 407 N ALA A 27 9.808 5.561 -16.497 1.00 0.00 N ATOM 408 CA ALA A 27 10.395 6.711 -17.167 1.00 0.00 C ATOM 409 C ALA A 27 9.621 7.981 -16.830 1.00 0.00 C ATOM 410 O ALA A 27 8.391 7.967 -16.757 1.00 0.00 O ATOM 411 CB ALA A 27 10.445 6.494 -18.673 1.00 0.00 C ATOM 0 H ALA A 27 8.929 5.236 -16.900 1.00 0.00 H new ATOM 0 HA ALA A 27 11.418 6.828 -16.809 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.888 7.367 -19.152 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.049 5.614 -18.894 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.434 6.345 -19.053 1.00 0.00 H new ATOM 417 N GLY A 28 10.353 9.074 -16.606 1.00 0.00 N ATOM 418 CA GLY A 28 9.719 10.335 -16.256 1.00 0.00 C ATOM 419 C GLY A 28 8.963 10.238 -14.943 1.00 0.00 C ATOM 420 O GLY A 28 7.901 10.843 -14.781 1.00 0.00 O ATOM 0 H GLY A 28 11.371 9.107 -16.661 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.477 11.115 -16.183 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.033 10.630 -17.050 1.00 0.00 H new ATOM 424 N GLN A 29 9.509 9.457 -14.009 1.00 0.00 N ATOM 425 CA GLN A 29 8.887 9.255 -12.710 1.00 0.00 C ATOM 426 C GLN A 29 9.862 9.577 -11.585 1.00 0.00 C ATOM 427 O GLN A 29 10.758 8.785 -11.283 1.00 0.00 O ATOM 428 CB GLN A 29 8.405 7.810 -12.580 1.00 0.00 C ATOM 429 CG GLN A 29 7.397 7.597 -11.461 1.00 0.00 C ATOM 430 CD GLN A 29 6.055 7.108 -11.970 1.00 0.00 C ATOM 431 OE1 GLN A 29 5.006 7.630 -11.590 1.00 0.00 O ATOM 432 NE2 GLN A 29 6.079 6.098 -12.834 1.00 0.00 N ATOM 0 H GLN A 29 10.387 8.953 -14.135 1.00 0.00 H new ATOM 0 HA GLN A 29 8.034 9.929 -12.631 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.957 7.500 -13.524 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.266 7.164 -12.409 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.797 6.874 -10.750 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.257 8.533 -10.920 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.970 5.695 -13.122 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.206 5.726 -13.209 1.00 0.00 H new ATOM 441 N ASP A 30 9.677 10.737 -10.962 1.00 0.00 N ATOM 442 CA ASP A 30 10.535 11.161 -9.859 1.00 0.00 C ATOM 443 C ASP A 30 9.952 10.728 -8.508 1.00 0.00 C ATOM 444 O ASP A 30 10.189 11.373 -7.483 1.00 0.00 O ATOM 445 CB ASP A 30 10.727 12.681 -9.894 1.00 0.00 C ATOM 446 CG ASP A 30 12.012 13.116 -9.218 1.00 0.00 C ATOM 447 OD1 ASP A 30 13.097 12.763 -9.724 1.00 0.00 O ATOM 448 OD2 ASP A 30 11.932 13.809 -8.182 1.00 0.00 O ATOM 0 H ASP A 30 8.941 11.401 -11.202 1.00 0.00 H new ATOM 0 HA ASP A 30 11.505 10.678 -9.977 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.732 13.020 -10.930 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.881 13.163 -9.404 1.00 0.00 H new ATOM 453 N LYS A 31 9.195 9.627 -8.513 1.00 0.00 N ATOM 454 CA LYS A 31 8.583 9.100 -7.297 1.00 0.00 C ATOM 455 C LYS A 31 8.737 7.579 -7.237 1.00 0.00 C ATOM 456 O LYS A 31 9.461 6.989 -8.043 1.00 0.00 O ATOM 457 CB LYS A 31 7.095 9.478 -7.232 1.00 0.00 C ATOM 458 CG LYS A 31 6.765 10.844 -7.823 1.00 0.00 C ATOM 459 CD LYS A 31 7.098 11.969 -6.855 1.00 0.00 C ATOM 460 CE LYS A 31 6.655 13.321 -7.395 1.00 0.00 C ATOM 461 NZ LYS A 31 7.549 14.424 -6.941 1.00 0.00 N ATOM 0 H LYS A 31 8.993 9.083 -9.352 1.00 0.00 H new ATOM 0 HA LYS A 31 9.094 9.541 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.517 8.719 -7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.773 9.459 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.322 10.984 -8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.706 10.884 -8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.612 11.782 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.172 11.985 -6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.642 13.290 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.635 13.524 -7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.212 15.327 -7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.542 14.471 -5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.518 14.244 -7.273 1.00 0.00 H new ATOM 475 N LEU A 32 8.049 6.946 -6.283 1.00 0.00 N ATOM 476 CA LEU A 32 8.106 5.494 -6.128 1.00 0.00 C ATOM 477 C LEU A 32 6.811 4.966 -5.513 1.00 0.00 C ATOM 478 O LEU A 32 6.400 5.411 -4.441 1.00 0.00 O ATOM 479 CB LEU A 32 9.303 5.093 -5.259 1.00 0.00 C ATOM 480 CG LEU A 32 10.054 3.841 -5.723 1.00 0.00 C ATOM 481 CD1 LEU A 32 10.530 4.000 -7.162 1.00 0.00 C ATOM 482 CD2 LEU A 32 11.230 3.555 -4.799 1.00 0.00 C ATOM 0 H LEU A 32 7.447 7.418 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 32 8.227 5.052 -7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.004 5.927 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.954 4.931 -4.239 1.00 0.00 H new ATOM 0 HG LEU A 32 9.368 2.995 -5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.061 3.100 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.671 4.157 -7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.199 4.858 -7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.753 2.663 -5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.915 4.403 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.865 3.394 -3.785 1.00 0.00 H new ATOM 494 N GLY A 33 6.173 4.020 -6.204 1.00 0.00 N ATOM 495 CA GLY A 33 4.928 3.450 -5.716 1.00 0.00 C ATOM 496 C GLY A 33 5.135 2.202 -4.877 1.00 0.00 C ATOM 497 O GLY A 33 6.099 1.462 -5.080 1.00 0.00 O ATOM 0 H GLY A 33 6.498 3.639 -7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.401 4.197 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.288 3.208 -6.565 1.00 0.00 H new ATOM 501 N ILE A 34 4.224 1.970 -3.931 1.00 0.00 N ATOM 502 CA ILE A 34 4.304 0.804 -3.053 1.00 0.00 C ATOM 503 C ILE A 34 3.277 -0.252 -3.459 1.00 0.00 C ATOM 504 O ILE A 34 2.198 -0.347 -2.873 1.00 0.00 O ATOM 505 CB ILE A 34 4.083 1.198 -1.574 1.00 0.00 C ATOM 506 CG1 ILE A 34 4.858 2.477 -1.242 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.498 0.062 -0.647 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.356 2.348 -1.423 1.00 0.00 C ATOM 0 H ILE A 34 3.422 2.575 -3.754 1.00 0.00 H new ATOM 0 HA ILE A 34 5.306 0.388 -3.157 1.00 0.00 H new ATOM 0 HB ILE A 34 3.021 1.389 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.493 3.286 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.649 2.760 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.335 0.359 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.903 -0.824 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.554 -0.163 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.836 3.293 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.735 1.562 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.577 2.096 -2.460 1.00 0.00 H new ATOM 520 N TYR A 35 3.622 -1.042 -4.472 1.00 0.00 N ATOM 521 CA TYR A 35 2.732 -2.091 -4.968 1.00 0.00 C ATOM 522 C TYR A 35 2.635 -3.250 -3.979 1.00 0.00 C ATOM 523 O TYR A 35 3.439 -3.356 -3.056 1.00 0.00 O ATOM 524 CB TYR A 35 3.222 -2.608 -6.322 1.00 0.00 C ATOM 525 CG TYR A 35 3.403 -1.522 -7.357 1.00 0.00 C ATOM 526 CD1 TYR A 35 4.607 -0.839 -7.474 1.00 0.00 C ATOM 527 CD2 TYR A 35 2.370 -1.183 -8.220 1.00 0.00 C ATOM 528 CE1 TYR A 35 4.773 0.154 -8.416 1.00 0.00 C ATOM 529 CE2 TYR A 35 2.530 -0.192 -9.165 1.00 0.00 C ATOM 530 CZ TYR A 35 3.734 0.473 -9.263 1.00 0.00 C ATOM 531 OH TYR A 35 3.900 1.460 -10.208 1.00 0.00 O ATOM 0 H TYR A 35 4.512 -0.977 -4.967 1.00 0.00 H new ATOM 0 HA TYR A 35 1.740 -1.656 -5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.171 -3.126 -6.182 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.511 -3.343 -6.700 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.426 -1.090 -6.816 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.426 -1.704 -8.150 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.714 0.680 -8.490 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.715 0.063 -9.826 1.00 0.00 H new ATOM 0 HH TYR A 35 3.073 1.561 -10.724 1.00 0.00 H new ATOM 541 N VAL A 36 1.650 -4.122 -4.187 1.00 0.00 N ATOM 542 CA VAL A 36 1.450 -5.281 -3.317 1.00 0.00 C ATOM 543 C VAL A 36 1.884 -6.573 -4.012 1.00 0.00 C ATOM 544 O VAL A 36 1.464 -6.854 -5.134 1.00 0.00 O ATOM 545 CB VAL A 36 -0.027 -5.413 -2.878 1.00 0.00 C ATOM 546 CG1 VAL A 36 -0.192 -6.537 -1.863 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.545 -4.097 -2.311 1.00 0.00 C ATOM 0 H VAL A 36 0.978 -4.048 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 36 2.068 -5.122 -2.433 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.619 -5.660 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.239 -6.611 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.127 -7.479 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.418 -6.326 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.586 -4.215 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.054 -3.813 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.474 -3.320 -3.072 1.00 0.00 H new ATOM 557 N LYS A 37 2.717 -7.358 -3.330 1.00 0.00 N ATOM 558 CA LYS A 37 3.197 -8.628 -3.870 1.00 0.00 C ATOM 559 C LYS A 37 2.275 -9.771 -3.450 1.00 0.00 C ATOM 560 O LYS A 37 1.951 -10.644 -4.257 1.00 0.00 O ATOM 561 CB LYS A 37 4.626 -8.912 -3.396 1.00 0.00 C ATOM 562 CG LYS A 37 5.403 -9.829 -4.330 1.00 0.00 C ATOM 563 CD LYS A 37 6.903 -9.750 -4.083 1.00 0.00 C ATOM 564 CE LYS A 37 7.464 -11.078 -3.595 1.00 0.00 C ATOM 565 NZ LYS A 37 8.945 -11.035 -3.429 1.00 0.00 N ATOM 0 H LYS A 37 3.074 -7.136 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 37 3.196 -8.554 -4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.162 -7.968 -3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.589 -9.363 -2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.066 -10.857 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.190 -9.559 -5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.408 -9.458 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.110 -8.974 -3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.001 -11.339 -2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.202 -11.864 -4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.346 -11.969 -3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.346 -10.325 -4.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.177 -10.781 -2.448 1.00 0.00 H new ATOM 579 N SER A 38 1.856 -9.756 -2.180 1.00 0.00 N ATOM 580 CA SER A 38 0.969 -10.788 -1.646 1.00 0.00 C ATOM 581 C SER A 38 0.288 -10.306 -0.363 1.00 0.00 C ATOM 582 O SER A 38 0.618 -9.243 0.166 1.00 0.00 O ATOM 583 CB SER A 38 1.743 -12.088 -1.366 1.00 0.00 C ATOM 584 OG SER A 38 2.943 -12.166 -2.125 1.00 0.00 O ATOM 0 H SER A 38 2.119 -9.038 -1.504 1.00 0.00 H new ATOM 0 HA SER A 38 0.206 -10.990 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.981 -12.147 -0.304 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.110 -12.944 -1.599 1.00 0.00 H new ATOM 0 HG SER A 38 3.407 -13.004 -1.919 1.00 0.00 H new ATOM 590 N VAL A 39 -0.657 -11.101 0.139 1.00 0.00 N ATOM 591 CA VAL A 39 -1.374 -10.764 1.366 1.00 0.00 C ATOM 592 C VAL A 39 -1.496 -11.986 2.267 1.00 0.00 C ATOM 593 O VAL A 39 -2.046 -13.013 1.865 1.00 0.00 O ATOM 594 CB VAL A 39 -2.784 -10.204 1.081 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.424 -9.690 2.364 1.00 0.00 C ATOM 596 CG2 VAL A 39 -2.729 -9.101 0.032 1.00 0.00 C ATOM 0 H VAL A 39 -0.943 -11.983 -0.286 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.793 -9.989 1.867 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.398 -11.015 0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.417 -9.299 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.506 -10.506 3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.807 -8.897 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.735 -8.723 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.096 -8.289 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.317 -9.500 -0.895 1.00 0.00 H new ATOM 606 N VAL A 40 -0.979 -11.869 3.486 1.00 0.00 N ATOM 607 CA VAL A 40 -1.032 -12.968 4.444 1.00 0.00 C ATOM 608 C VAL A 40 -2.453 -13.162 4.965 1.00 0.00 C ATOM 609 O VAL A 40 -3.070 -12.228 5.480 1.00 0.00 O ATOM 610 CB VAL A 40 -0.076 -12.740 5.637 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.034 -13.969 6.532 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.323 -12.381 5.152 1.00 0.00 C ATOM 0 H VAL A 40 -0.520 -11.027 3.833 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.711 -13.865 3.915 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.457 -11.902 6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.644 -13.789 7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.034 -14.174 6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.317 -14.826 5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.977 -12.226 6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.715 -13.193 4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.279 -11.467 4.559 1.00 0.00 H new ATOM 622 N LYS A 41 -2.963 -14.384 4.826 1.00 0.00 N ATOM 623 CA LYS A 41 -4.311 -14.715 5.278 1.00 0.00 C ATOM 624 C LYS A 41 -4.417 -14.599 6.794 1.00 0.00 C ATOM 625 O LYS A 41 -3.650 -15.222 7.528 1.00 0.00 O ATOM 626 CB LYS A 41 -4.690 -16.130 4.834 1.00 0.00 C ATOM 627 CG LYS A 41 -5.457 -16.174 3.521 1.00 0.00 C ATOM 628 CD LYS A 41 -4.628 -15.636 2.363 1.00 0.00 C ATOM 629 CE LYS A 41 -3.762 -16.721 1.737 1.00 0.00 C ATOM 630 NZ LYS A 41 -4.576 -17.826 1.156 1.00 0.00 N ATOM 0 H LYS A 41 -2.460 -15.164 4.402 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.004 -14.005 4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.782 -16.725 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.293 -16.596 5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.755 -17.201 3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.372 -15.590 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.290 -15.217 1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.994 -14.823 2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.140 -16.282 0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.088 -17.126 2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.041 -18.288 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.794 -18.523 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.462 -17.440 0.772 1.00 0.00 H new ATOM 644 N GLY A 42 -5.366 -13.787 7.251 1.00 0.00 N ATOM 645 CA GLY A 42 -5.557 -13.587 8.677 1.00 0.00 C ATOM 646 C GLY A 42 -5.550 -12.118 9.060 1.00 0.00 C ATOM 647 O GLY A 42 -6.231 -11.714 10.004 1.00 0.00 O ATOM 0 H GLY A 42 -6.008 -13.262 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.503 -14.035 8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.769 -14.106 9.223 1.00 0.00 H new ATOM 651 N GLY A 43 -4.781 -11.314 8.322 1.00 0.00 N ATOM 652 CA GLY A 43 -4.708 -9.891 8.599 1.00 0.00 C ATOM 653 C GLY A 43 -6.006 -9.167 8.284 1.00 0.00 C ATOM 654 O GLY A 43 -6.815 -9.647 7.486 1.00 0.00 O ATOM 0 H GLY A 43 -4.208 -11.626 7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.459 -9.741 9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.900 -9.452 8.014 1.00 0.00 H new ATOM 658 N ALA A 44 -6.203 -8.009 8.919 1.00 0.00 N ATOM 659 CA ALA A 44 -7.409 -7.198 8.719 1.00 0.00 C ATOM 660 C ALA A 44 -7.726 -6.989 7.234 1.00 0.00 C ATOM 661 O ALA A 44 -8.895 -6.977 6.841 1.00 0.00 O ATOM 662 CB ALA A 44 -7.253 -5.853 9.410 1.00 0.00 C ATOM 0 H ALA A 44 -5.538 -7.609 9.581 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.244 -7.743 9.159 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.153 -5.258 9.256 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.099 -6.008 10.478 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.395 -5.327 8.992 1.00 0.00 H new ATOM 668 N ALA A 45 -6.685 -6.824 6.415 1.00 0.00 N ATOM 669 CA ALA A 45 -6.863 -6.618 4.978 1.00 0.00 C ATOM 670 C ALA A 45 -7.500 -7.841 4.319 1.00 0.00 C ATOM 671 O ALA A 45 -8.473 -7.718 3.573 1.00 0.00 O ATOM 672 CB ALA A 45 -5.529 -6.302 4.314 1.00 0.00 C ATOM 0 H ALA A 45 -5.712 -6.829 6.722 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.534 -5.770 4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.681 -6.152 3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.110 -5.396 4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.840 -7.132 4.469 1.00 0.00 H new ATOM 678 N ASP A 46 -6.942 -9.019 4.598 1.00 0.00 N ATOM 679 CA ASP A 46 -7.453 -10.268 4.032 1.00 0.00 C ATOM 680 C ASP A 46 -8.869 -10.560 4.528 1.00 0.00 C ATOM 681 O ASP A 46 -9.725 -10.999 3.759 1.00 0.00 O ATOM 682 CB ASP A 46 -6.529 -11.435 4.388 1.00 0.00 C ATOM 683 CG ASP A 46 -6.397 -12.436 3.256 1.00 0.00 C ATOM 684 OD1 ASP A 46 -7.363 -13.192 3.015 1.00 0.00 O ATOM 685 OD2 ASP A 46 -5.328 -12.465 2.612 1.00 0.00 O ATOM 0 H ASP A 46 -6.136 -9.135 5.212 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.483 -10.153 2.948 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.543 -11.048 4.644 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.913 -11.941 5.274 1.00 0.00 H new ATOM 690 N VAL A 47 -9.107 -10.314 5.816 1.00 0.00 N ATOM 691 CA VAL A 47 -10.421 -10.549 6.418 1.00 0.00 C ATOM 692 C VAL A 47 -11.498 -9.691 5.751 1.00 0.00 C ATOM 693 O VAL A 47 -12.654 -10.106 5.643 1.00 0.00 O ATOM 694 CB VAL A 47 -10.407 -10.252 7.934 1.00 0.00 C ATOM 695 CG1 VAL A 47 -11.751 -10.587 8.569 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.281 -11.015 8.621 1.00 0.00 C ATOM 0 H VAL A 47 -8.407 -9.952 6.464 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.655 -11.602 6.263 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.229 -9.185 8.067 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.714 -10.369 9.636 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.533 -9.988 8.103 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.969 -11.645 8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.288 -10.792 9.688 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.424 -12.085 8.473 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.324 -10.714 8.194 1.00 0.00 H new ATOM 706 N ASP A 48 -11.112 -8.492 5.310 1.00 0.00 N ATOM 707 CA ASP A 48 -12.043 -7.575 4.658 1.00 0.00 C ATOM 708 C ASP A 48 -12.483 -8.109 3.295 1.00 0.00 C ATOM 709 O ASP A 48 -13.678 -8.263 3.038 1.00 0.00 O ATOM 710 CB ASP A 48 -11.400 -6.192 4.503 1.00 0.00 C ATOM 711 CG ASP A 48 -12.340 -5.168 3.893 1.00 0.00 C ATOM 712 OD1 ASP A 48 -13.547 -5.188 4.223 1.00 0.00 O ATOM 713 OD2 ASP A 48 -11.869 -4.341 3.085 1.00 0.00 O ATOM 0 H ASP A 48 -10.160 -8.135 5.394 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.929 -7.488 5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.071 -5.839 5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.511 -6.278 3.879 1.00 0.00 H new ATOM 718 N GLY A 49 -11.512 -8.391 2.429 1.00 0.00 N ATOM 719 CA GLY A 49 -11.822 -8.907 1.107 1.00 0.00 C ATOM 720 C GLY A 49 -12.024 -7.807 0.076 1.00 0.00 C ATOM 721 O GLY A 49 -13.032 -7.798 -0.634 1.00 0.00 O ATOM 0 H GLY A 49 -10.517 -8.271 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.015 -9.562 0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.724 -9.517 1.162 1.00 0.00 H new ATOM 725 N ARG A 50 -11.064 -6.884 -0.013 1.00 0.00 N ATOM 726 CA ARG A 50 -11.142 -5.780 -0.973 1.00 0.00 C ATOM 727 C ARG A 50 -9.862 -5.691 -1.803 1.00 0.00 C ATOM 728 O ARG A 50 -9.880 -5.937 -3.009 1.00 0.00 O ATOM 729 CB ARG A 50 -11.394 -4.450 -0.252 1.00 0.00 C ATOM 730 CG ARG A 50 -12.833 -4.263 0.203 1.00 0.00 C ATOM 731 CD ARG A 50 -13.751 -3.920 -0.959 1.00 0.00 C ATOM 732 NE ARG A 50 -15.158 -3.911 -0.560 1.00 0.00 N ATOM 733 CZ ARG A 50 -15.732 -2.931 0.146 1.00 0.00 C ATOM 734 NH1 ARG A 50 -15.024 -1.869 0.531 1.00 0.00 N ATOM 735 NH2 ARG A 50 -17.019 -3.015 0.469 1.00 0.00 N ATOM 0 H ARG A 50 -10.225 -6.879 0.567 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.978 -5.978 -1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.737 -4.387 0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.123 -3.630 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.183 -5.175 0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.878 -3.470 0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.481 -2.942 -1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.606 -4.643 -1.762 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.738 -4.702 -0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.036 -1.799 0.287 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.470 -1.126 1.069 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.566 -3.825 0.178 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.459 -2.269 1.007 1.00 0.00 H new ATOM 749 N LEU A 51 -8.754 -5.343 -1.148 1.00 0.00 N ATOM 750 CA LEU A 51 -7.462 -5.228 -1.824 1.00 0.00 C ATOM 751 C LEU A 51 -6.932 -6.604 -2.230 1.00 0.00 C ATOM 752 O LEU A 51 -7.376 -7.629 -1.707 1.00 0.00 O ATOM 753 CB LEU A 51 -6.445 -4.519 -0.920 1.00 0.00 C ATOM 754 CG LEU A 51 -6.236 -5.156 0.460 1.00 0.00 C ATOM 755 CD1 LEU A 51 -5.068 -6.131 0.435 1.00 0.00 C ATOM 756 CD2 LEU A 51 -6.015 -4.079 1.514 1.00 0.00 C ATOM 0 H LEU A 51 -8.726 -5.136 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.607 -4.635 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.485 -4.487 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.766 -3.487 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.136 -5.714 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.939 -6.570 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.269 -6.921 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.158 -5.602 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.868 -4.547 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.133 -3.493 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.886 -3.425 1.554 1.00 0.00 H new ATOM 768 N ALA A 52 -5.982 -6.616 -3.165 1.00 0.00 N ATOM 769 CA ALA A 52 -5.391 -7.862 -3.647 1.00 0.00 C ATOM 770 C ALA A 52 -3.902 -7.692 -3.949 1.00 0.00 C ATOM 771 O ALA A 52 -3.324 -6.633 -3.696 1.00 0.00 O ATOM 772 CB ALA A 52 -6.126 -8.343 -4.890 1.00 0.00 C ATOM 0 H ALA A 52 -5.606 -5.775 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.491 -8.608 -2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.678 -9.272 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.175 -8.515 -4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.053 -7.587 -5.672 1.00 0.00 H new ATOM 778 N ALA A 53 -3.288 -8.742 -4.497 1.00 0.00 N ATOM 779 CA ALA A 53 -1.870 -8.712 -4.841 1.00 0.00 C ATOM 780 C ALA A 53 -1.659 -8.141 -6.242 1.00 0.00 C ATOM 781 O ALA A 53 -2.174 -8.677 -7.225 1.00 0.00 O ATOM 782 CB ALA A 53 -1.271 -10.108 -4.740 1.00 0.00 C ATOM 0 H ALA A 53 -3.753 -9.624 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.362 -8.061 -4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.213 -10.070 -4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.381 -10.478 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.789 -10.777 -5.427 1.00 0.00 H new ATOM 788 N GLY A 54 -0.895 -7.052 -6.326 1.00 0.00 N ATOM 789 CA GLY A 54 -0.622 -6.424 -7.609 1.00 0.00 C ATOM 790 C GLY A 54 -1.307 -5.076 -7.769 1.00 0.00 C ATOM 791 O GLY A 54 -1.665 -4.687 -8.882 1.00 0.00 O ATOM 0 H GLY A 54 -0.460 -6.593 -5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.454 -6.294 -7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.948 -7.088 -8.409 1.00 0.00 H new ATOM 795 N ASP A 55 -1.485 -4.358 -6.658 1.00 0.00 N ATOM 796 CA ASP A 55 -2.125 -3.046 -6.686 1.00 0.00 C ATOM 797 C ASP A 55 -1.157 -1.957 -6.234 1.00 0.00 C ATOM 798 O ASP A 55 -0.399 -2.148 -5.283 1.00 0.00 O ATOM 799 CB ASP A 55 -3.371 -3.036 -5.794 1.00 0.00 C ATOM 800 CG ASP A 55 -4.443 -4.001 -6.266 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.629 -4.134 -7.495 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.100 -4.624 -5.403 1.00 0.00 O ATOM 0 H ASP A 55 -1.194 -4.665 -5.730 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.423 -2.842 -7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.083 -3.291 -4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.784 -2.028 -5.766 1.00 0.00 H new ATOM 807 N GLN A 56 -1.194 -0.814 -6.920 1.00 0.00 N ATOM 808 CA GLN A 56 -0.323 0.316 -6.590 1.00 0.00 C ATOM 809 C GLN A 56 -0.905 1.128 -5.430 1.00 0.00 C ATOM 810 O GLN A 56 -2.122 1.264 -5.311 1.00 0.00 O ATOM 811 CB GLN A 56 -0.133 1.218 -7.816 1.00 0.00 C ATOM 812 CG GLN A 56 0.934 2.290 -7.633 1.00 0.00 C ATOM 813 CD GLN A 56 0.554 3.612 -8.276 1.00 0.00 C ATOM 814 OE1 GLN A 56 0.032 3.648 -9.391 1.00 0.00 O ATOM 815 NE2 GLN A 56 0.816 4.708 -7.573 1.00 0.00 N ATOM 0 H GLN A 56 -1.818 -0.646 -7.709 1.00 0.00 H new ATOM 0 HA GLN A 56 0.646 -0.079 -6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.131 0.599 -8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.082 1.700 -8.051 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.108 2.445 -6.568 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.873 1.939 -8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.250 4.632 -6.653 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.584 5.625 -7.953 1.00 0.00 H new ATOM 824 N LEU A 57 -0.031 1.668 -4.581 1.00 0.00 N ATOM 825 CA LEU A 57 -0.469 2.470 -3.434 1.00 0.00 C ATOM 826 C LEU A 57 -0.405 3.963 -3.744 1.00 0.00 C ATOM 827 O LEU A 57 0.166 4.378 -4.755 1.00 0.00 O ATOM 828 CB LEU A 57 0.388 2.164 -2.198 1.00 0.00 C ATOM 829 CG LEU A 57 -0.373 1.572 -1.007 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.533 0.664 -0.190 1.00 0.00 C ATOM 831 CD2 LEU A 57 -0.946 2.680 -0.132 1.00 0.00 C ATOM 0 H LEU A 57 0.981 1.567 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.505 2.203 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.177 1.470 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.875 3.085 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.200 0.976 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.026 0.254 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.894 -0.151 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.381 1.237 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.483 2.239 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.135 3.304 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.631 3.290 -0.720 1.00 0.00 H new ATOM 843 N LEU A 58 -0.994 4.767 -2.858 1.00 0.00 N ATOM 844 CA LEU A 58 -1.005 6.215 -3.022 1.00 0.00 C ATOM 845 C LEU A 58 -0.989 6.921 -1.666 1.00 0.00 C ATOM 846 O LEU A 58 -0.080 7.703 -1.381 1.00 0.00 O ATOM 847 CB LEU A 58 -2.229 6.654 -3.832 1.00 0.00 C ATOM 848 CG LEU A 58 -1.912 7.264 -5.200 1.00 0.00 C ATOM 849 CD1 LEU A 58 -2.857 6.724 -6.263 1.00 0.00 C ATOM 850 CD2 LEU A 58 -1.989 8.784 -5.138 1.00 0.00 C ATOM 0 H LEU A 58 -1.470 4.436 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.104 6.498 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.879 5.791 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.791 7.382 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.895 6.981 -5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.614 7.171 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.751 5.641 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.884 6.973 -5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.761 9.200 -6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.993 9.086 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.268 9.155 -4.410 1.00 0.00 H new ATOM 862 N SER A 59 -2.000 6.646 -0.835 1.00 0.00 N ATOM 863 CA SER A 59 -2.094 7.267 0.487 1.00 0.00 C ATOM 864 C SER A 59 -2.289 6.223 1.591 1.00 0.00 C ATOM 865 O SER A 59 -2.868 5.157 1.362 1.00 0.00 O ATOM 866 CB SER A 59 -3.238 8.287 0.512 1.00 0.00 C ATOM 867 OG SER A 59 -4.503 7.651 0.426 1.00 0.00 O ATOM 0 H SER A 59 -2.760 6.001 -1.054 1.00 0.00 H new ATOM 0 HA SER A 59 -1.152 7.780 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.185 8.872 1.430 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.123 8.985 -0.318 1.00 0.00 H new ATOM 0 HG SER A 59 -4.869 7.772 -0.475 1.00 0.00 H new ATOM 873 N VAL A 60 -1.797 6.545 2.791 1.00 0.00 N ATOM 874 CA VAL A 60 -1.904 5.652 3.946 1.00 0.00 C ATOM 875 C VAL A 60 -2.170 6.446 5.225 1.00 0.00 C ATOM 876 O VAL A 60 -1.240 6.954 5.850 1.00 0.00 O ATOM 877 CB VAL A 60 -0.619 4.817 4.137 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.794 3.809 5.266 1.00 0.00 C ATOM 879 CG2 VAL A 60 -0.236 4.119 2.841 1.00 0.00 C ATOM 0 H VAL A 60 -1.318 7.424 2.987 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.739 4.980 3.750 1.00 0.00 H new ATOM 0 HB VAL A 60 0.191 5.493 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.123 3.231 5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.012 4.337 6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.618 3.137 5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.672 3.536 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.044 3.456 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.060 4.864 2.065 1.00 0.00 H new ATOM 889 N ASP A 61 -3.444 6.550 5.609 1.00 0.00 N ATOM 890 CA ASP A 61 -3.833 7.286 6.816 1.00 0.00 C ATOM 891 C ASP A 61 -3.291 8.719 6.784 1.00 0.00 C ATOM 892 O ASP A 61 -2.801 9.235 7.792 1.00 0.00 O ATOM 893 CB ASP A 61 -3.327 6.563 8.071 1.00 0.00 C ATOM 894 CG ASP A 61 -4.017 5.232 8.295 1.00 0.00 C ATOM 895 OD1 ASP A 61 -3.524 4.211 7.772 1.00 0.00 O ATOM 896 OD2 ASP A 61 -5.055 5.212 8.990 1.00 0.00 O ATOM 0 H ASP A 61 -4.225 6.134 5.102 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.922 7.330 6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.253 6.401 7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.484 7.200 8.941 1.00 0.00 H new ATOM 901 N GLY A 62 -3.379 9.354 5.615 1.00 0.00 N ATOM 902 CA GLY A 62 -2.892 10.717 5.466 1.00 0.00 C ATOM 903 C GLY A 62 -1.390 10.788 5.226 1.00 0.00 C ATOM 904 O GLY A 62 -0.756 11.799 5.534 1.00 0.00 O ATOM 0 H GLY A 62 -3.779 8.948 4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.410 11.194 4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.139 11.285 6.363 1.00 0.00 H new ATOM 908 N ARG A 63 -0.819 9.719 4.666 1.00 0.00 N ATOM 909 CA ARG A 63 0.613 9.673 4.374 1.00 0.00 C ATOM 910 C ARG A 63 0.837 9.455 2.883 1.00 0.00 C ATOM 911 O ARG A 63 0.253 8.547 2.288 1.00 0.00 O ATOM 912 CB ARG A 63 1.305 8.561 5.170 1.00 0.00 C ATOM 913 CG ARG A 63 0.920 8.519 6.641 1.00 0.00 C ATOM 914 CD ARG A 63 1.795 9.443 7.472 1.00 0.00 C ATOM 915 NE ARG A 63 1.510 10.854 7.209 1.00 0.00 N ATOM 916 CZ ARG A 63 2.277 11.863 7.627 1.00 0.00 C ATOM 917 NH1 ARG A 63 3.360 11.628 8.361 1.00 0.00 N ATOM 918 NH2 ARG A 63 1.955 13.113 7.314 1.00 0.00 N ATOM 0 H ARG A 63 -1.328 8.874 4.406 1.00 0.00 H new ATOM 0 HA ARG A 63 1.047 10.628 4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.065 7.600 4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.384 8.690 5.091 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.125 8.808 6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.011 7.498 7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.640 9.233 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.844 9.239 7.257 1.00 0.00 H new ATOM 0 HE ARG A 63 0.673 11.081 6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.610 10.671 8.609 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.941 12.405 8.676 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.123 13.301 6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.540 13.885 7.633 1.00 0.00 H new ATOM 932 N SER A 64 1.680 10.291 2.284 1.00 0.00 N ATOM 933 CA SER A 64 1.975 10.192 0.858 1.00 0.00 C ATOM 934 C SER A 64 3.152 9.255 0.608 1.00 0.00 C ATOM 935 O SER A 64 4.293 9.573 0.949 1.00 0.00 O ATOM 936 CB SER A 64 2.276 11.577 0.268 1.00 0.00 C ATOM 937 OG SER A 64 1.649 12.608 1.014 1.00 0.00 O ATOM 0 H SER A 64 2.171 11.045 2.764 1.00 0.00 H new ATOM 0 HA SER A 64 1.094 9.783 0.364 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.354 11.741 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.934 11.615 -0.766 1.00 0.00 H new ATOM 0 HG SER A 64 1.862 13.477 0.614 1.00 0.00 H new ATOM 943 N LEU A 65 2.869 8.103 0.002 1.00 0.00 N ATOM 944 CA LEU A 65 3.912 7.123 -0.304 1.00 0.00 C ATOM 945 C LEU A 65 4.343 7.218 -1.770 1.00 0.00 C ATOM 946 O LEU A 65 4.806 6.235 -2.351 1.00 0.00 O ATOM 947 CB LEU A 65 3.428 5.700 -0.003 1.00 0.00 C ATOM 948 CG LEU A 65 2.954 5.451 1.429 1.00 0.00 C ATOM 949 CD1 LEU A 65 2.686 3.970 1.642 1.00 0.00 C ATOM 950 CD2 LEU A 65 3.979 5.960 2.434 1.00 0.00 C ATOM 0 H LEU A 65 1.931 7.825 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 65 4.770 7.349 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.610 5.462 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.239 5.006 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 65 2.026 6.000 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.349 3.805 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.915 3.636 0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.602 3.406 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.621 5.772 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.926 5.442 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.125 7.031 2.294 1.00 0.00 H new ATOM 962 N VAL A 66 4.192 8.404 -2.364 1.00 0.00 N ATOM 963 CA VAL A 66 4.570 8.617 -3.756 1.00 0.00 C ATOM 964 C VAL A 66 5.841 9.462 -3.846 1.00 0.00 C ATOM 965 O VAL A 66 5.809 10.644 -4.196 1.00 0.00 O ATOM 966 CB VAL A 66 3.425 9.276 -4.560 1.00 0.00 C ATOM 967 CG1 VAL A 66 3.036 10.614 -3.947 1.00 0.00 C ATOM 968 CG2 VAL A 66 3.818 9.436 -6.023 1.00 0.00 C ATOM 0 H VAL A 66 3.811 9.229 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 66 4.767 7.640 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 66 2.554 8.622 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.229 11.060 -4.529 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.702 10.461 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.898 11.281 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.999 9.901 -6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.706 10.064 -6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.031 8.457 -6.452 1.00 0.00 H new ATOM 978 N GLY A 67 6.957 8.834 -3.511 1.00 0.00 N ATOM 979 CA GLY A 67 8.244 9.507 -3.535 1.00 0.00 C ATOM 980 C GLY A 67 9.185 8.984 -2.464 1.00 0.00 C ATOM 981 O GLY A 67 10.403 9.114 -2.582 1.00 0.00 O ATOM 0 H GLY A 67 6.996 7.858 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.703 9.375 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.095 10.578 -3.394 1.00 0.00 H new ATOM 985 N LEU A 68 8.613 8.384 -1.417 1.00 0.00 N ATOM 986 CA LEU A 68 9.397 7.830 -0.317 1.00 0.00 C ATOM 987 C LEU A 68 9.942 6.449 -0.669 1.00 0.00 C ATOM 988 O LEU A 68 9.413 5.763 -1.546 1.00 0.00 O ATOM 989 CB LEU A 68 8.541 7.722 0.948 1.00 0.00 C ATOM 990 CG LEU A 68 8.152 9.049 1.596 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.337 8.799 2.855 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.393 9.872 1.916 1.00 0.00 C ATOM 0 H LEU A 68 7.605 8.271 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 68 10.234 8.505 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.630 7.177 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.082 7.125 1.682 1.00 0.00 H new ATOM 0 HG LEU A 68 7.541 9.614 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.066 9.753 3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.432 8.248 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.928 8.217 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.096 10.814 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.031 9.316 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.942 10.075 0.996 1.00 0.00 H new ATOM 1004 N SER A 69 10.989 6.042 0.044 1.00 0.00 N ATOM 1005 CA SER A 69 11.600 4.734 -0.162 1.00 0.00 C ATOM 1006 C SER A 69 10.715 3.645 0.433 1.00 0.00 C ATOM 1007 O SER A 69 10.043 3.873 1.443 1.00 0.00 O ATOM 1008 CB SER A 69 12.984 4.681 0.493 1.00 0.00 C ATOM 1009 OG SER A 69 13.778 5.790 0.107 1.00 0.00 O ATOM 0 H SER A 69 11.433 6.602 0.772 1.00 0.00 H new ATOM 0 HA SER A 69 11.708 4.569 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.875 4.668 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.487 3.755 0.212 1.00 0.00 H new ATOM 0 HG SER A 69 14.655 5.731 0.541 1.00 0.00 H new ATOM 1015 N GLN A 70 10.717 2.466 -0.192 1.00 0.00 N ATOM 1016 CA GLN A 70 9.914 1.336 0.283 1.00 0.00 C ATOM 1017 C GLN A 70 9.981 1.204 1.809 1.00 0.00 C ATOM 1018 O GLN A 70 8.968 0.939 2.456 1.00 0.00 O ATOM 1019 CB GLN A 70 10.386 0.035 -0.370 1.00 0.00 C ATOM 1020 CG GLN A 70 9.471 -1.148 -0.100 1.00 0.00 C ATOM 1021 CD GLN A 70 8.722 -1.600 -1.336 1.00 0.00 C ATOM 1022 OE1 GLN A 70 9.064 -2.606 -1.943 1.00 0.00 O ATOM 1023 NE2 GLN A 70 7.687 -0.855 -1.709 1.00 0.00 N ATOM 0 H GLN A 70 11.266 2.268 -1.029 1.00 0.00 H new ATOM 0 HA GLN A 70 8.878 1.526 0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.463 0.186 -1.447 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.387 -0.201 -0.009 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.062 -1.979 0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.755 -0.879 0.676 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.437 -0.024 -1.173 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.142 -1.114 -2.531 1.00 0.00 H new ATOM 1032 N GLU A 71 11.179 1.393 2.374 1.00 0.00 N ATOM 1033 CA GLU A 71 11.374 1.299 3.822 1.00 0.00 C ATOM 1034 C GLU A 71 10.390 2.197 4.575 1.00 0.00 C ATOM 1035 O GLU A 71 9.633 1.719 5.418 1.00 0.00 O ATOM 1036 CB GLU A 71 12.807 1.687 4.199 1.00 0.00 C ATOM 1037 CG GLU A 71 13.848 0.634 3.851 1.00 0.00 C ATOM 1038 CD GLU A 71 14.907 0.482 4.927 1.00 0.00 C ATOM 1039 OE1 GLU A 71 15.811 1.341 4.998 1.00 0.00 O ATOM 1040 OE2 GLU A 71 14.832 -0.498 5.698 1.00 0.00 O ATOM 0 H GLU A 71 12.026 1.612 1.850 1.00 0.00 H new ATOM 0 HA GLU A 71 11.192 0.263 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.065 2.618 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.849 1.884 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.352 -0.324 3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.328 0.900 2.909 1.00 0.00 H new ATOM 1047 N ARG A 72 10.404 3.497 4.265 1.00 0.00 N ATOM 1048 CA ARG A 72 9.506 4.449 4.923 1.00 0.00 C ATOM 1049 C ARG A 72 8.046 4.080 4.675 1.00 0.00 C ATOM 1050 O ARG A 72 7.219 4.170 5.577 1.00 0.00 O ATOM 1051 CB ARG A 72 9.760 5.882 4.434 1.00 0.00 C ATOM 1052 CG ARG A 72 11.230 6.278 4.374 1.00 0.00 C ATOM 1053 CD ARG A 72 11.976 5.906 5.650 1.00 0.00 C ATOM 1054 NE ARG A 72 13.418 6.099 5.511 1.00 0.00 N ATOM 1055 CZ ARG A 72 14.335 5.495 6.272 1.00 0.00 C ATOM 1056 NH1 ARG A 72 13.971 4.671 7.251 1.00 0.00 N ATOM 1057 NH2 ARG A 72 15.625 5.722 6.055 1.00 0.00 N ATOM 0 H ARG A 72 11.023 3.911 3.568 1.00 0.00 H new ATOM 0 HA ARG A 72 9.711 4.401 5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.325 5.996 3.441 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.237 6.575 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.702 5.788 3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.309 7.352 4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.606 6.512 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.771 4.865 5.901 1.00 0.00 H new ATOM 0 HE ARG A 72 13.746 6.737 4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.982 4.494 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.681 4.216 7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.913 6.356 5.309 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.328 5.263 6.634 1.00 0.00 H new ATOM 1071 N ALA A 73 7.738 3.667 3.445 1.00 0.00 N ATOM 1072 CA ALA A 73 6.374 3.290 3.080 1.00 0.00 C ATOM 1073 C ALA A 73 5.851 2.150 3.951 1.00 0.00 C ATOM 1074 O ALA A 73 4.856 2.311 4.659 1.00 0.00 O ATOM 1075 CB ALA A 73 6.307 2.907 1.610 1.00 0.00 C ATOM 0 H ALA A 73 8.415 3.585 2.686 1.00 0.00 H new ATOM 0 HA ALA A 73 5.735 4.156 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.285 2.629 1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.617 3.755 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.971 2.063 1.423 1.00 0.00 H new ATOM 1081 N ALA A 74 6.526 1.000 3.897 1.00 0.00 N ATOM 1082 CA ALA A 74 6.122 -0.164 4.687 1.00 0.00 C ATOM 1083 C ALA A 74 6.227 0.117 6.186 1.00 0.00 C ATOM 1084 O ALA A 74 5.397 -0.343 6.970 1.00 0.00 O ATOM 1085 CB ALA A 74 6.962 -1.380 4.318 1.00 0.00 C ATOM 0 H ALA A 74 7.352 0.850 3.317 1.00 0.00 H new ATOM 0 HA ALA A 74 5.078 -0.375 4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.647 -2.235 4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.828 -1.607 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.013 -1.169 4.513 1.00 0.00 H new ATOM 1091 N GLU A 75 7.252 0.873 6.575 1.00 0.00 N ATOM 1092 CA GLU A 75 7.464 1.215 7.979 1.00 0.00 C ATOM 1093 C GLU A 75 6.384 2.171 8.491 1.00 0.00 C ATOM 1094 O GLU A 75 5.967 2.084 9.646 1.00 0.00 O ATOM 1095 CB GLU A 75 8.848 1.839 8.169 1.00 0.00 C ATOM 1096 CG GLU A 75 9.231 2.032 9.627 1.00 0.00 C ATOM 1097 CD GLU A 75 10.489 1.277 10.009 1.00 0.00 C ATOM 1098 OE1 GLU A 75 10.475 0.029 9.950 1.00 0.00 O ATOM 1099 OE2 GLU A 75 11.489 1.934 10.369 1.00 0.00 O ATOM 0 H GLU A 75 7.948 1.260 5.938 1.00 0.00 H new ATOM 0 HA GLU A 75 7.402 0.294 8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.593 1.206 7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.875 2.804 7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.377 3.094 9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.408 1.702 10.261 1.00 0.00 H new ATOM 1106 N LEU A 76 5.935 3.083 7.628 1.00 0.00 N ATOM 1107 CA LEU A 76 4.904 4.051 8.001 1.00 0.00 C ATOM 1108 C LEU A 76 3.531 3.384 8.098 1.00 0.00 C ATOM 1109 O LEU A 76 2.779 3.635 9.040 1.00 0.00 O ATOM 1110 CB LEU A 76 4.856 5.201 6.989 1.00 0.00 C ATOM 1111 CG LEU A 76 5.915 6.291 7.188 1.00 0.00 C ATOM 1112 CD1 LEU A 76 6.120 7.079 5.900 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.519 7.219 8.329 1.00 0.00 C ATOM 0 H LEU A 76 6.268 3.171 6.668 1.00 0.00 H new ATOM 0 HA LEU A 76 5.162 4.451 8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.968 4.787 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.870 5.663 7.035 1.00 0.00 H new ATOM 0 HG LEU A 76 6.858 5.811 7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.875 7.848 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.451 6.405 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.181 7.548 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.283 7.986 8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.564 7.692 8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.426 6.644 9.250 1.00 0.00 H new ATOM 1125 N MET A 77 3.210 2.538 7.120 1.00 0.00 N ATOM 1126 CA MET A 77 1.922 1.839 7.096 1.00 0.00 C ATOM 1127 C MET A 77 1.733 0.974 8.341 1.00 0.00 C ATOM 1128 O MET A 77 0.686 1.029 8.984 1.00 0.00 O ATOM 1129 CB MET A 77 1.801 0.972 5.841 1.00 0.00 C ATOM 1130 CG MET A 77 1.587 1.764 4.560 1.00 0.00 C ATOM 1131 SD MET A 77 2.508 1.093 3.164 1.00 0.00 S ATOM 1132 CE MET A 77 1.819 -0.557 3.071 1.00 0.00 C ATOM 0 H MET A 77 3.822 2.319 6.334 1.00 0.00 H new ATOM 0 HA MET A 77 1.140 2.598 7.083 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.705 0.372 5.738 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.970 0.278 5.970 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.524 1.774 4.317 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.887 2.799 4.724 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.620 -1.291 3.155 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.108 -0.701 3.885 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.309 -0.685 2.116 1.00 0.00 H new ATOM 1142 N THR A 78 2.749 0.181 8.679 1.00 0.00 N ATOM 1143 CA THR A 78 2.680 -0.683 9.856 1.00 0.00 C ATOM 1144 C THR A 78 2.585 0.154 11.134 1.00 0.00 C ATOM 1145 O THR A 78 1.934 -0.247 12.100 1.00 0.00 O ATOM 1146 CB THR A 78 3.898 -1.616 9.914 1.00 0.00 C ATOM 1147 OG1 THR A 78 3.849 -2.445 11.064 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.227 -0.887 9.926 1.00 0.00 C ATOM 0 H THR A 78 3.624 0.119 8.158 1.00 0.00 H new ATOM 0 HA THR A 78 1.781 -1.295 9.778 1.00 0.00 H new ATOM 0 HB THR A 78 3.841 -2.206 9.000 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.634 -3.031 11.078 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.040 -1.612 9.968 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.322 -0.288 9.020 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.277 -0.236 10.799 1.00 0.00 H new ATOM 1156 N ARG A 79 3.233 1.320 11.127 1.00 0.00 N ATOM 1157 CA ARG A 79 3.222 2.217 12.281 1.00 0.00 C ATOM 1158 C ARG A 79 1.995 3.142 12.276 1.00 0.00 C ATOM 1159 O ARG A 79 2.125 4.358 12.436 1.00 0.00 O ATOM 1160 CB ARG A 79 4.507 3.054 12.309 1.00 0.00 C ATOM 1161 CG ARG A 79 5.634 2.418 13.105 1.00 0.00 C ATOM 1162 CD ARG A 79 5.990 3.250 14.329 1.00 0.00 C ATOM 1163 NE ARG A 79 7.426 3.234 14.610 1.00 0.00 N ATOM 1164 CZ ARG A 79 7.988 3.815 15.674 1.00 0.00 C ATOM 1165 NH1 ARG A 79 7.243 4.465 16.564 1.00 0.00 N ATOM 1166 NH2 ARG A 79 9.304 3.748 15.847 1.00 0.00 N ATOM 0 H ARG A 79 3.773 1.665 10.333 1.00 0.00 H new ATOM 0 HA ARG A 79 3.168 1.599 13.177 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.845 3.219 11.286 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.283 4.033 12.732 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.340 1.416 13.418 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.513 2.309 12.470 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.663 4.278 14.175 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.448 2.870 15.195 1.00 0.00 H new ATOM 0 HE ARG A 79 8.036 2.749 13.952 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.233 4.523 16.438 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.682 4.905 17.373 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.883 3.254 15.168 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.735 4.191 16.659 1.00 0.00 H new ATOM 1180 N THR A 80 0.801 2.566 12.103 1.00 0.00 N ATOM 1181 CA THR A 80 -0.437 3.353 12.094 1.00 0.00 C ATOM 1182 C THR A 80 -1.194 3.192 13.412 1.00 0.00 C ATOM 1183 O THR A 80 -0.828 2.365 14.250 1.00 0.00 O ATOM 1184 CB THR A 80 -1.340 2.928 10.933 1.00 0.00 C ATOM 1185 OG1 THR A 80 -1.371 1.516 10.808 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.909 3.502 9.601 1.00 0.00 C ATOM 0 H THR A 80 0.665 1.564 11.968 1.00 0.00 H new ATOM 0 HA THR A 80 -0.162 4.400 11.969 1.00 0.00 H new ATOM 0 HB THR A 80 -2.327 3.320 11.176 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.678 1.228 10.178 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.590 3.162 8.821 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.928 4.591 9.651 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.102 3.167 9.371 1.00 0.00 H new ATOM 1194 N SER A 81 -2.261 3.977 13.584 1.00 0.00 N ATOM 1195 CA SER A 81 -3.076 3.909 14.795 1.00 0.00 C ATOM 1196 C SER A 81 -4.041 2.721 14.726 1.00 0.00 C ATOM 1197 O SER A 81 -3.931 1.876 13.834 1.00 0.00 O ATOM 1198 CB SER A 81 -3.850 5.219 14.989 1.00 0.00 C ATOM 1199 OG SER A 81 -4.241 5.385 16.342 1.00 0.00 O ATOM 0 H SER A 81 -2.578 4.665 12.901 1.00 0.00 H new ATOM 0 HA SER A 81 -2.416 3.766 15.650 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.230 6.061 14.681 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.732 5.222 14.349 1.00 0.00 H new ATOM 0 HG SER A 81 -4.731 6.228 16.440 1.00 0.00 H new ATOM 1205 N SER A 82 -4.983 2.661 15.667 1.00 0.00 N ATOM 1206 CA SER A 82 -5.965 1.576 15.707 1.00 0.00 C ATOM 1207 C SER A 82 -6.688 1.431 14.363 1.00 0.00 C ATOM 1208 O SER A 82 -6.934 0.316 13.900 1.00 0.00 O ATOM 1209 CB SER A 82 -6.984 1.823 16.824 1.00 0.00 C ATOM 1210 OG SER A 82 -7.669 3.049 16.631 1.00 0.00 O ATOM 0 H SER A 82 -5.087 3.350 16.412 1.00 0.00 H new ATOM 0 HA SER A 82 -5.430 0.648 15.908 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.702 1.003 16.853 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.475 1.835 17.788 1.00 0.00 H new ATOM 0 HG SER A 82 -8.314 3.181 17.357 1.00 0.00 H new ATOM 1216 N VAL A 83 -7.025 2.566 13.746 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.718 2.568 12.460 1.00 0.00 C ATOM 1218 C VAL A 83 -6.735 2.756 11.305 1.00 0.00 C ATOM 1219 O VAL A 83 -5.753 3.491 11.425 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.793 3.677 12.400 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.646 3.538 11.146 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.663 3.645 13.648 1.00 0.00 C ATOM 0 H VAL A 83 -6.828 3.495 14.118 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.206 1.598 12.361 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.286 4.641 12.359 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.395 4.329 11.126 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.011 3.617 10.264 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.143 2.568 11.150 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.414 4.433 13.588 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.158 2.677 13.722 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.041 3.803 14.529 1.00 0.00 H new ATOM 1232 N VAL A 84 -7.007 2.080 10.190 1.00 0.00 N ATOM 1233 CA VAL A 84 -6.154 2.159 9.006 1.00 0.00 C ATOM 1234 C VAL A 84 -6.929 2.697 7.803 1.00 0.00 C ATOM 1235 O VAL A 84 -8.137 2.482 7.688 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.562 0.778 8.645 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.543 0.904 7.521 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.931 0.121 9.866 1.00 0.00 C ATOM 0 H VAL A 84 -7.816 1.468 10.082 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.341 2.844 9.248 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.378 0.143 8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.140 -0.080 7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.026 1.321 6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.733 1.562 7.836 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.522 -0.850 9.586 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.131 0.756 10.248 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.688 -0.014 10.639 1.00 0.00 H new ATOM 1248 N THR A 85 -6.223 3.397 6.913 1.00 0.00 N ATOM 1249 CA THR A 85 -6.832 3.973 5.715 1.00 0.00 C ATOM 1250 C THR A 85 -5.869 3.901 4.525 1.00 0.00 C ATOM 1251 O THR A 85 -5.135 4.853 4.247 1.00 0.00 O ATOM 1252 CB THR A 85 -7.247 5.427 5.980 1.00 0.00 C ATOM 1253 OG1 THR A 85 -8.087 5.513 7.118 1.00 0.00 O ATOM 1254 CG2 THR A 85 -7.986 6.063 4.822 1.00 0.00 C ATOM 0 H THR A 85 -5.223 3.579 7.001 1.00 0.00 H new ATOM 0 HA THR A 85 -7.721 3.392 5.468 1.00 0.00 H new ATOM 0 HB THR A 85 -6.312 5.965 6.135 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.338 6.448 7.269 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.249 7.089 5.078 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.348 6.061 3.938 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.894 5.497 4.615 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.874 2.762 3.829 1.00 0.00 N ATOM 1263 CA LEU A 86 -5.001 2.558 2.670 1.00 0.00 C ATOM 1264 C LEU A 86 -5.746 2.813 1.360 1.00 0.00 C ATOM 1265 O LEU A 86 -6.908 2.431 1.213 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.448 1.129 2.663 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.602 0.742 3.878 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -3.885 -0.698 4.283 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.122 0.936 3.580 1.00 0.00 C ATOM 0 H LEU A 86 -6.473 1.966 4.048 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.180 3.270 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.285 0.435 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.844 0.996 1.765 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.871 1.392 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.276 -0.959 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.940 -0.804 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.642 -1.363 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.535 0.656 4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.836 0.309 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.934 1.982 3.336 1.00 0.00 H new ATOM 1281 N GLU A 87 -5.062 3.446 0.407 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.650 3.741 -0.898 1.00 0.00 C ATOM 1283 C GLU A 87 -4.825 3.110 -2.018 1.00 0.00 C ATOM 1284 O GLU A 87 -3.705 3.544 -2.297 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.750 5.255 -1.103 1.00 0.00 C ATOM 1286 CG GLU A 87 -6.309 5.660 -2.459 1.00 0.00 C ATOM 1287 CD GLU A 87 -6.349 7.165 -2.647 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -5.271 7.798 -2.608 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -7.457 7.709 -2.831 1.00 0.00 O ATOM 0 H GLU A 87 -4.099 3.764 0.515 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.652 3.314 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.381 5.676 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.759 5.694 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.701 5.215 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.316 5.257 -2.568 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.388 2.085 -2.660 1.00 0.00 N ATOM 1297 CA VAL A 88 -4.705 1.396 -3.754 1.00 0.00 C ATOM 1298 C VAL A 88 -5.328 1.749 -5.104 1.00 0.00 C ATOM 1299 O VAL A 88 -6.400 2.356 -5.166 1.00 0.00 O ATOM 1300 CB VAL A 88 -4.727 -0.139 -3.581 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -3.967 -0.555 -2.331 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -6.157 -0.660 -3.548 1.00 0.00 C ATOM 0 H VAL A 88 -6.313 1.715 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.670 1.735 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.227 -0.583 -4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.997 -1.640 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.931 -0.226 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.428 -0.097 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.147 -1.743 -3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.691 -0.205 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.659 -0.405 -4.481 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.649 1.357 -6.181 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.125 1.624 -7.534 1.00 0.00 C ATOM 1314 C ALA A 89 -5.199 0.341 -8.355 1.00 0.00 C ATOM 1315 O ALA A 89 -4.295 -0.497 -8.299 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.220 2.637 -8.221 1.00 0.00 C ATOM 0 H ALA A 89 -3.764 0.851 -6.140 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.131 2.038 -7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.587 2.827 -9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.219 3.568 -7.654 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.205 2.242 -8.272 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.280 0.197 -9.121 1.00 0.00 N ATOM 1323 CA LYS A 90 -6.476 -0.978 -9.965 1.00 0.00 C ATOM 1324 C LYS A 90 -5.977 -0.709 -11.382 1.00 0.00 C ATOM 1325 O LYS A 90 -6.437 0.223 -12.046 1.00 0.00 O ATOM 1326 CB LYS A 90 -7.957 -1.376 -9.990 1.00 0.00 C ATOM 1327 CG LYS A 90 -8.259 -2.664 -9.237 1.00 0.00 C ATOM 1328 CD LYS A 90 -7.777 -2.598 -7.795 1.00 0.00 C ATOM 1329 CE LYS A 90 -8.734 -1.802 -6.920 1.00 0.00 C ATOM 1330 NZ LYS A 90 -9.434 -2.667 -5.930 1.00 0.00 N ATOM 0 H LYS A 90 -7.034 0.882 -9.173 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.900 -1.803 -9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.548 -0.567 -9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.276 -1.488 -11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.332 -2.852 -9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.780 -3.502 -9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.675 -3.608 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.788 -2.141 -7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.182 -1.023 -6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.470 -1.302 -7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.205 -2.130 -5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.827 -3.500 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.760 -2.976 -5.201 1.00 0.00 H new ATOM 1344 N GLN A 91 -5.025 -1.526 -11.833 1.00 0.00 N ATOM 1345 CA GLN A 91 -4.447 -1.379 -13.167 1.00 0.00 C ATOM 1346 C GLN A 91 -3.785 -2.684 -13.622 1.00 0.00 C ATOM 1347 O GLN A 91 -3.913 -3.717 -12.961 1.00 0.00 O ATOM 1348 CB GLN A 91 -3.429 -0.228 -13.175 1.00 0.00 C ATOM 1349 CG GLN A 91 -2.147 -0.527 -12.407 1.00 0.00 C ATOM 1350 CD GLN A 91 -2.349 -0.520 -10.902 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -2.435 -1.706 -10.308 1.00 0.00 O flip ATOM 1352 NE2 GLN A 91 -2.427 0.540 -10.281 1.00 0.00 N flip ATOM 0 H GLN A 91 -4.637 -2.299 -11.291 1.00 0.00 H new ATOM 0 HA GLN A 91 -5.249 -1.146 -13.868 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.174 0.010 -14.208 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.897 0.660 -12.749 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.764 -1.500 -12.713 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.390 0.211 -12.671 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.356 1.428 -10.777 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.563 0.530 -9.270 1.00 0.00 H new ATOM 1361 N GLY A 92 -3.075 -2.629 -14.752 1.00 0.00 N ATOM 1362 CA GLY A 92 -2.405 -3.805 -15.270 1.00 0.00 C ATOM 1363 C GLY A 92 -1.981 -3.641 -16.716 1.00 0.00 C ATOM 1364 O GLY A 92 -2.723 -3.091 -17.534 1.00 0.00 O ATOM 0 H GLY A 92 -2.955 -1.787 -15.315 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.528 -4.018 -14.659 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.069 -4.665 -15.185 1.00 0.00 H new ATOM 1368 N ALA A 93 -0.780 -4.123 -17.024 1.00 0.00 N ATOM 1369 CA ALA A 93 -0.231 -4.042 -18.377 1.00 0.00 C ATOM 1370 C ALA A 93 0.456 -5.348 -18.775 1.00 0.00 C ATOM 1371 O ALA A 93 1.112 -5.964 -17.907 1.00 0.00 O ATOM 1372 CB ALA A 93 0.745 -2.878 -18.484 1.00 0.00 C ATOM 1373 OXT ALA A 93 0.333 -5.742 -19.954 1.00 0.00 O ATOM 0 H ALA A 93 -0.163 -4.577 -16.350 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.059 -3.874 -19.066 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.145 -2.831 -19.497 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.227 -1.947 -18.255 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.562 -3.022 -17.777 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 11.816 -1.802 -6.657 1.00 0.00 N ATOM 1381 CA LEU B 99 12.121 -3.248 -6.475 1.00 0.00 C ATOM 1382 C LEU B 99 12.160 -3.625 -4.992 1.00 0.00 C ATOM 1383 O LEU B 99 11.937 -2.777 -4.125 1.00 0.00 O ATOM 1384 CB LEU B 99 13.467 -3.558 -7.148 1.00 0.00 C ATOM 1385 CG LEU B 99 14.699 -2.938 -6.477 1.00 0.00 C ATOM 1386 CD1 LEU B 99 15.518 -4.006 -5.764 1.00 0.00 C ATOM 1387 CD2 LEU B 99 15.552 -2.205 -7.503 1.00 0.00 C ATOM 0 HA LEU B 99 11.332 -3.841 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU B 99 13.597 -4.640 -7.179 1.00 0.00 H new ATOM 0 HB3 LEU B 99 13.425 -3.213 -8.181 1.00 0.00 H new ATOM 0 HG LEU B 99 14.358 -2.217 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU B 99 16.387 -3.545 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU B 99 14.905 -4.485 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU B 99 15.849 -4.753 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU B 99 16.422 -1.771 -7.010 1.00 0.00 H new ATOM 0 HD22 LEU B 99 15.882 -2.906 -8.270 1.00 0.00 H new ATOM 0 HD23 LEU B 99 14.964 -1.412 -7.965 1.00 0.00 H new ATOM 1401 N PHE B 100 12.440 -4.904 -4.713 1.00 0.00 N ATOM 1402 CA PHE B 100 12.510 -5.410 -3.338 1.00 0.00 C ATOM 1403 C PHE B 100 11.115 -5.534 -2.729 1.00 0.00 C ATOM 1404 O PHE B 100 10.235 -4.721 -3.006 1.00 0.00 O ATOM 1405 CB PHE B 100 13.392 -4.506 -2.469 1.00 0.00 C ATOM 1406 CG PHE B 100 14.262 -5.262 -1.499 1.00 0.00 C ATOM 1407 CD1 PHE B 100 15.194 -6.184 -1.954 1.00 0.00 C ATOM 1408 CD2 PHE B 100 14.143 -5.054 -0.133 1.00 0.00 C ATOM 1409 CE1 PHE B 100 15.993 -6.878 -1.065 1.00 0.00 C ATOM 1410 CE2 PHE B 100 14.941 -5.747 0.759 1.00 0.00 C ATOM 1411 CZ PHE B 100 15.864 -6.662 0.293 1.00 0.00 C ATOM 0 H PHE B 100 12.623 -5.610 -5.426 1.00 0.00 H new ATOM 0 HA PHE B 100 12.959 -6.403 -3.371 1.00 0.00 H new ATOM 0 HB2 PHE B 100 14.026 -3.901 -3.117 1.00 0.00 H new ATOM 0 HB3 PHE B 100 12.755 -3.818 -1.913 1.00 0.00 H new ATOM 0 HD1 PHE B 100 15.296 -6.361 -3.014 1.00 0.00 H new ATOM 0 HD2 PHE B 100 13.419 -4.343 0.238 1.00 0.00 H new ATOM 0 HE1 PHE B 100 16.718 -7.589 -1.432 1.00 0.00 H new ATOM 0 HE2 PHE B 100 14.842 -5.572 1.820 1.00 0.00 H new ATOM 0 HZ PHE B 100 16.484 -7.208 0.989 1.00 0.00 H new ATOM 1421 N SER B 101 10.919 -6.564 -1.907 1.00 0.00 N ATOM 1422 CA SER B 101 9.627 -6.799 -1.270 1.00 0.00 C ATOM 1423 C SER B 101 9.747 -6.810 0.251 1.00 0.00 C ATOM 1424 O SER B 101 10.652 -7.433 0.812 1.00 0.00 O ATOM 1425 CB SER B 101 9.031 -8.123 -1.754 1.00 0.00 C ATOM 1426 OG SER B 101 7.698 -8.287 -1.297 1.00 0.00 O ATOM 0 H SER B 101 11.638 -7.247 -1.668 1.00 0.00 H new ATOM 0 HA SER B 101 8.965 -5.980 -1.551 1.00 0.00 H new ATOM 0 HB2 SER B 101 9.051 -8.156 -2.843 1.00 0.00 H new ATOM 0 HB3 SER B 101 9.644 -8.951 -1.399 1.00 0.00 H new ATOM 0 HG SER B 101 7.285 -7.407 -1.172 1.00 0.00 H new ATOM 1432 N THR B 102 8.816 -6.121 0.909 1.00 0.00 N ATOM 1433 CA THR B 102 8.791 -6.044 2.368 1.00 0.00 C ATOM 1434 C THR B 102 7.470 -6.602 2.903 1.00 0.00 C ATOM 1435 O THR B 102 6.639 -7.091 2.132 1.00 0.00 O ATOM 1436 CB THR B 102 8.994 -4.590 2.843 1.00 0.00 C ATOM 1437 OG1 THR B 102 7.753 -3.927 3.015 1.00 0.00 O ATOM 1438 CG2 THR B 102 9.824 -3.745 1.897 1.00 0.00 C ATOM 0 H THR B 102 8.065 -5.605 0.451 1.00 0.00 H new ATOM 0 HA THR B 102 9.611 -6.646 2.759 1.00 0.00 H new ATOM 0 HB THR B 102 9.529 -4.687 3.787 1.00 0.00 H new ATOM 0 HG1 THR B 102 7.468 -4.004 3.949 1.00 0.00 H new ATOM 0 HG21 THR B 102 9.922 -2.737 2.300 1.00 0.00 H new ATOM 0 HG22 THR B 102 10.813 -4.189 1.786 1.00 0.00 H new ATOM 0 HG23 THR B 102 9.335 -3.701 0.924 1.00 0.00 H new ATOM 1446 N GLU B 103 7.277 -6.523 4.217 1.00 0.00 N ATOM 1447 CA GLU B 103 6.053 -7.019 4.835 1.00 0.00 C ATOM 1448 C GLU B 103 5.528 -6.026 5.872 1.00 0.00 C ATOM 1449 O GLU B 103 6.192 -5.750 6.875 1.00 0.00 O ATOM 1450 CB GLU B 103 6.292 -8.394 5.475 1.00 0.00 C ATOM 1451 CG GLU B 103 7.305 -9.256 4.726 1.00 0.00 C ATOM 1452 CD GLU B 103 7.198 -10.734 5.059 1.00 0.00 C ATOM 1453 OE1 GLU B 103 6.974 -11.067 6.244 1.00 0.00 O ATOM 1454 OE2 GLU B 103 7.347 -11.562 4.135 1.00 0.00 O ATOM 0 H GLU B 103 7.950 -6.122 4.871 1.00 0.00 H new ATOM 0 HA GLU B 103 5.298 -7.128 4.057 1.00 0.00 H new ATOM 0 HB2 GLU B 103 6.637 -8.252 6.499 1.00 0.00 H new ATOM 0 HB3 GLU B 103 5.344 -8.929 5.529 1.00 0.00 H new ATOM 0 HG2 GLU B 103 7.164 -9.121 3.654 1.00 0.00 H new ATOM 0 HG3 GLU B 103 8.311 -8.909 4.961 1.00 0.00 H new ATOM 1461 N VAL B 104 4.331 -5.492 5.616 1.00 0.00 N ATOM 1462 CA VAL B 104 3.701 -4.526 6.515 1.00 0.00 C ATOM 1463 C VAL B 104 2.483 -5.138 7.220 1.00 0.00 C ATOM 1464 O VAL B 104 2.214 -4.751 8.377 1.00 0.00 O ATOM 1465 CB VAL B 104 3.284 -3.237 5.757 1.00 0.00 C ATOM 1466 CG1 VAL B 104 2.207 -3.531 4.722 1.00 0.00 C ATOM 1467 CG2 VAL B 104 2.813 -2.160 6.728 1.00 0.00 C ATOM 1468 OXT VAL B 104 1.817 -6.009 6.616 1.00 0.00 O ATOM 0 H VAL B 104 3.778 -5.715 4.789 1.00 0.00 H new ATOM 0 HA VAL B 104 4.441 -4.258 7.269 1.00 0.00 H new ATOM 0 HB VAL B 104 4.164 -2.864 5.233 1.00 0.00 H new ATOM 0 HG11 VAL B 104 1.936 -2.609 4.208 1.00 0.00 H new ATOM 0 HG12 VAL B 104 2.585 -4.253 3.998 1.00 0.00 H new ATOM 0 HG13 VAL B 104 1.328 -3.942 5.218 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.527 -1.268 6.171 1.00 0.00 H new ATOM 0 HG22 VAL B 104 1.955 -2.527 7.290 1.00 0.00 H new ATOM 0 HG23 VAL B 104 3.620 -1.914 7.418 1.00 0.00 H new TER 1478 VAL B 104