USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 521 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 12 ASN : amide:sc= -0.622 X(o=-0.62,f=-0.23) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.154 K(o=-0.15,f=-4.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 129:sc= -2.07 (180deg=-4.34!) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.168 F(o=-0.68,f=-0.17) USER MOD Single : A 71 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.012) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 20:sc= 0.505 USER MOD Single : A 82 TYR OH : rot -67:sc= 1.53 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.528 8.715 1.498 1.00 0.00 N ATOM 60 CA GLY A 7 -0.670 7.581 1.786 1.00 0.00 C ATOM 61 C GLY A 7 -1.095 6.835 3.036 1.00 0.00 C ATOM 62 O GLY A 7 -1.492 7.448 4.027 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.680 6.897 0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.357 7.927 1.905 1.00 0.00 H new ATOM 66 N ILE A 8 -1.012 5.510 2.989 1.00 0.00 N ATOM 67 CA ILE A 8 -1.391 4.681 4.127 1.00 0.00 C ATOM 68 C ILE A 8 -0.162 4.098 4.816 1.00 0.00 C ATOM 69 O ILE A 8 0.835 3.779 4.167 1.00 0.00 O ATOM 70 CB ILE A 8 -2.320 3.529 3.699 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.679 2.721 2.569 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.673 4.073 3.267 1.00 0.00 C ATOM 73 CD1 ILE A 8 -2.157 1.287 2.505 1.00 0.00 C ATOM 0 H ILE A 8 -0.686 4.987 2.176 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.924 5.327 4.825 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.472 2.868 4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.892 3.209 1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.596 2.729 2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.318 3.247 2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.132 4.609 4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.540 4.753 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.661 0.775 1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.920 0.782 3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.235 1.270 2.347 1.00 0.00 H new ATOM 85 N PHE A 9 -0.240 3.961 6.136 1.00 0.00 N ATOM 86 CA PHE A 9 0.866 3.416 6.914 1.00 0.00 C ATOM 87 C PHE A 9 0.567 1.986 7.356 1.00 0.00 C ATOM 88 O PHE A 9 -0.507 1.700 7.886 1.00 0.00 O ATOM 89 CB PHE A 9 1.137 4.293 8.138 1.00 0.00 C ATOM 90 CG PHE A 9 1.950 3.607 9.199 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.221 3.133 8.918 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.442 3.436 10.477 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.972 2.502 9.892 1.00 0.00 C ATOM 94 CE2 PHE A 9 2.188 2.806 11.455 1.00 0.00 C ATOM 95 CZ PHE A 9 3.454 2.337 11.162 1.00 0.00 C ATOM 0 H PHE A 9 -1.057 4.220 6.689 1.00 0.00 H new ATOM 0 HA PHE A 9 1.753 3.404 6.280 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.658 5.196 7.820 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.186 4.608 8.567 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.630 3.258 7.926 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.452 3.799 10.711 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.962 2.139 9.660 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.782 2.680 12.448 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.038 1.842 11.924 1.00 0.00 H new ATOM 105 N ILE A 10 1.525 1.092 7.132 1.00 0.00 N ATOM 106 CA ILE A 10 1.365 -0.308 7.507 1.00 0.00 C ATOM 107 C ILE A 10 2.462 -0.748 8.470 1.00 0.00 C ATOM 108 O ILE A 10 3.636 -0.438 8.273 1.00 0.00 O ATOM 109 CB ILE A 10 1.382 -1.227 6.271 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.489 -0.654 5.169 1.00 0.00 C ATOM 111 CG2 ILE A 10 0.933 -2.630 6.649 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.884 -1.098 3.778 1.00 0.00 C ATOM 0 H ILE A 10 2.419 1.312 6.693 1.00 0.00 H new ATOM 0 HA ILE A 10 0.397 -0.394 8.000 1.00 0.00 H new ATOM 0 HB ILE A 10 2.402 -1.283 5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.543 -0.952 5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.520 0.435 5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.950 -3.268 5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.607 -3.037 7.403 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.080 -2.592 7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.207 -0.653 3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.905 -0.777 3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.825 -2.184 3.712 1.00 0.00 H new ATOM 124 N GLY A 11 2.071 -1.475 9.512 1.00 0.00 N ATOM 125 CA GLY A 11 3.034 -1.948 10.490 1.00 0.00 C ATOM 126 C GLY A 11 2.861 -3.419 10.808 1.00 0.00 C ATOM 127 O GLY A 11 1.798 -3.992 10.573 1.00 0.00 O ATOM 0 H GLY A 11 1.105 -1.745 9.697 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.043 -1.777 10.114 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.932 -1.367 11.406 1.00 0.00 H new ATOM 131 N ASN A 12 3.910 -4.034 11.345 1.00 0.00 N ATOM 132 CA ASN A 12 3.870 -5.450 11.694 1.00 0.00 C ATOM 133 C ASN A 12 3.940 -6.321 10.444 1.00 0.00 C ATOM 134 O ASN A 12 3.076 -7.169 10.216 1.00 0.00 O ATOM 135 CB ASN A 12 2.596 -5.767 12.480 1.00 0.00 C ATOM 136 CG ASN A 12 2.762 -6.969 13.390 1.00 0.00 C ATOM 137 OD1 ASN A 12 3.148 -6.834 14.551 1.00 0.00 O ATOM 138 ND2 ASN A 12 2.470 -8.153 12.864 1.00 0.00 N ATOM 0 H ASN A 12 4.798 -3.574 11.548 1.00 0.00 H new ATOM 0 HA ASN A 12 4.737 -5.670 12.317 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.315 -4.899 13.077 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.779 -5.953 11.783 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.562 -8.998 13.428 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.153 -8.217 11.897 1.00 0.00 H new ATOM 145 N LEU A 13 4.973 -6.106 9.637 1.00 0.00 N ATOM 146 CA LEU A 13 5.156 -6.872 8.409 1.00 0.00 C ATOM 147 C LEU A 13 6.228 -7.942 8.590 1.00 0.00 C ATOM 148 O LEU A 13 7.326 -7.660 9.070 1.00 0.00 O ATOM 149 CB LEU A 13 5.538 -5.942 7.256 1.00 0.00 C ATOM 150 CG LEU A 13 4.382 -5.206 6.577 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.887 -3.963 5.862 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.662 -6.128 5.604 1.00 0.00 C ATOM 0 H LEU A 13 5.696 -5.408 9.811 1.00 0.00 H new ATOM 0 HA LEU A 13 4.213 -7.364 8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.244 -5.201 7.632 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.063 -6.528 6.501 1.00 0.00 H new ATOM 0 HG LEU A 13 3.673 -4.895 7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.050 -3.453 5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.357 -3.294 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.616 -4.250 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.842 -5.588 5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.361 -6.469 4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.266 -6.988 6.143 1.00 0.00 H new ATOM 164 N ASP A 14 5.903 -9.170 8.200 1.00 0.00 N ATOM 165 CA ASP A 14 6.840 -10.282 8.315 1.00 0.00 C ATOM 166 C ASP A 14 8.183 -9.929 7.684 1.00 0.00 C ATOM 167 O ASP A 14 8.255 -9.298 6.630 1.00 0.00 O ATOM 168 CB ASP A 14 6.263 -11.533 7.651 1.00 0.00 C ATOM 169 CG ASP A 14 7.045 -12.785 7.997 1.00 0.00 C ATOM 170 OD1 ASP A 14 8.103 -13.014 7.373 1.00 0.00 O ATOM 171 OD2 ASP A 14 6.600 -13.536 8.890 1.00 0.00 O ATOM 0 H ASP A 14 4.998 -9.421 7.802 1.00 0.00 H new ATOM 0 HA ASP A 14 6.999 -10.483 9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.225 -11.659 7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.259 -11.398 6.569 1.00 0.00 H new ATOM 176 N PRO A 15 9.274 -10.344 8.345 1.00 0.00 N ATOM 177 CA PRO A 15 10.635 -10.083 7.867 1.00 0.00 C ATOM 178 C PRO A 15 10.972 -10.880 6.611 1.00 0.00 C ATOM 179 O PRO A 15 12.066 -10.755 6.061 1.00 0.00 O ATOM 180 CB PRO A 15 11.514 -10.533 9.037 1.00 0.00 C ATOM 181 CG PRO A 15 10.693 -11.542 9.761 1.00 0.00 C ATOM 182 CD PRO A 15 9.264 -11.101 9.608 1.00 0.00 C ATOM 0 HA PRO A 15 10.775 -9.039 7.587 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.451 -10.964 8.685 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.772 -9.694 9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.841 -12.538 9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.975 -11.593 10.813 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.584 -11.951 9.561 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.943 -10.481 10.445 1.00 0.00 H new ATOM 190 N GLU A 16 10.024 -11.697 6.163 1.00 0.00 N ATOM 191 CA GLU A 16 10.222 -12.514 4.971 1.00 0.00 C ATOM 192 C GLU A 16 9.565 -11.870 3.754 1.00 0.00 C ATOM 193 O GLU A 16 9.884 -12.205 2.613 1.00 0.00 O ATOM 194 CB GLU A 16 9.654 -13.918 5.188 1.00 0.00 C ATOM 195 CG GLU A 16 10.181 -14.602 6.439 1.00 0.00 C ATOM 196 CD GLU A 16 9.335 -15.789 6.856 1.00 0.00 C ATOM 197 OE1 GLU A 16 9.219 -16.743 6.058 1.00 0.00 O ATOM 198 OE2 GLU A 16 8.789 -15.764 7.978 1.00 0.00 O ATOM 0 H GLU A 16 9.113 -11.811 6.607 1.00 0.00 H new ATOM 0 HA GLU A 16 11.294 -12.588 4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.567 -13.856 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.890 -14.534 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.204 -14.934 6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.216 -13.881 7.256 1.00 0.00 H new ATOM 205 N ILE A 17 8.644 -10.946 4.007 1.00 0.00 N ATOM 206 CA ILE A 17 7.942 -10.254 2.933 1.00 0.00 C ATOM 207 C ILE A 17 8.874 -9.305 2.188 1.00 0.00 C ATOM 208 O ILE A 17 9.754 -8.685 2.787 1.00 0.00 O ATOM 209 CB ILE A 17 6.738 -9.458 3.469 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.714 -10.403 4.102 1.00 0.00 C ATOM 211 CG2 ILE A 17 6.099 -8.647 2.351 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.864 -9.747 5.168 1.00 0.00 C ATOM 0 H ILE A 17 8.367 -10.659 4.946 1.00 0.00 H new ATOM 0 HA ILE A 17 7.584 -11.020 2.246 1.00 0.00 H new ATOM 0 HB ILE A 17 7.090 -8.768 4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.063 -10.796 3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.238 -11.253 4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.249 -8.090 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.831 -7.951 1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.758 -9.319 1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.161 -10.476 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.505 -9.378 5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.312 -8.914 4.732 1.00 0.00 H new ATOM 224 N ASP A 18 8.675 -9.195 0.879 1.00 0.00 N ATOM 225 CA ASP A 18 9.496 -8.318 0.052 1.00 0.00 C ATOM 226 C ASP A 18 8.633 -7.291 -0.674 1.00 0.00 C ATOM 227 O ASP A 18 7.437 -7.501 -0.871 1.00 0.00 O ATOM 228 CB ASP A 18 10.295 -9.139 -0.961 1.00 0.00 C ATOM 229 CG ASP A 18 11.193 -10.164 -0.297 1.00 0.00 C ATOM 230 OD1 ASP A 18 12.173 -9.757 0.361 1.00 0.00 O ATOM 231 OD2 ASP A 18 10.915 -11.374 -0.434 1.00 0.00 O ATOM 0 H ASP A 18 7.952 -9.702 0.368 1.00 0.00 H new ATOM 0 HA ASP A 18 10.189 -7.787 0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.606 -9.647 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.902 -8.469 -1.570 1.00 0.00 H new ATOM 236 N GLU A 19 9.249 -6.181 -1.068 1.00 0.00 N ATOM 237 CA GLU A 19 8.536 -5.121 -1.771 1.00 0.00 C ATOM 238 C GLU A 19 7.598 -5.702 -2.825 1.00 0.00 C ATOM 239 O GLU A 19 6.445 -5.287 -2.944 1.00 0.00 O ATOM 240 CB GLU A 19 9.526 -4.158 -2.428 1.00 0.00 C ATOM 241 CG GLU A 19 10.237 -3.247 -1.441 1.00 0.00 C ATOM 242 CD GLU A 19 11.192 -2.284 -2.119 1.00 0.00 C ATOM 243 OE1 GLU A 19 10.740 -1.524 -3.000 1.00 0.00 O ATOM 244 OE2 GLU A 19 12.390 -2.291 -1.768 1.00 0.00 O ATOM 0 H GLU A 19 10.239 -5.993 -0.913 1.00 0.00 H new ATOM 0 HA GLU A 19 7.939 -4.574 -1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.270 -4.735 -2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.995 -3.546 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.496 -2.681 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.788 -3.855 -0.724 1.00 0.00 H new ATOM 251 N LYS A 20 8.101 -6.665 -3.589 1.00 0.00 N ATOM 252 CA LYS A 20 7.311 -7.306 -4.634 1.00 0.00 C ATOM 253 C LYS A 20 6.007 -7.860 -4.067 1.00 0.00 C ATOM 254 O LYS A 20 4.919 -7.492 -4.512 1.00 0.00 O ATOM 255 CB LYS A 20 8.113 -8.431 -5.291 1.00 0.00 C ATOM 256 CG LYS A 20 8.982 -7.965 -6.446 1.00 0.00 C ATOM 257 CD LYS A 20 9.354 -9.117 -7.364 1.00 0.00 C ATOM 258 CE LYS A 20 10.583 -9.857 -6.859 1.00 0.00 C ATOM 259 NZ LYS A 20 10.633 -11.258 -7.363 1.00 0.00 N ATOM 0 H LYS A 20 9.054 -7.020 -3.504 1.00 0.00 H new ATOM 0 HA LYS A 20 7.070 -6.554 -5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.746 -8.902 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.424 -9.195 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.453 -7.201 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.888 -7.502 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.516 -9.810 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.544 -8.737 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.481 -9.326 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.581 -9.863 -5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.485 -11.729 -6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.788 -11.773 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.661 -11.252 -8.403 1.00 0.00 H new ATOM 273 N LEU A 21 6.124 -8.744 -3.083 1.00 0.00 N ATOM 274 CA LEU A 21 4.954 -9.348 -2.455 1.00 0.00 C ATOM 275 C LEU A 21 3.929 -8.284 -2.076 1.00 0.00 C ATOM 276 O LEU A 21 2.848 -8.211 -2.662 1.00 0.00 O ATOM 277 CB LEU A 21 5.369 -10.138 -1.212 1.00 0.00 C ATOM 278 CG LEU A 21 4.302 -11.052 -0.611 1.00 0.00 C ATOM 279 CD1 LEU A 21 4.004 -12.213 -1.547 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.744 -11.564 0.752 1.00 0.00 C ATOM 0 H LEU A 21 7.017 -9.059 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 21 4.496 -10.027 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.238 -10.745 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.687 -9.431 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 21 3.388 -10.473 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.242 -12.853 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.643 -11.828 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.913 -12.791 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.972 -12.213 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.672 -12.126 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.905 -10.720 1.423 1.00 0.00 H new ATOM 292 N LEU A 22 4.277 -7.458 -1.095 1.00 0.00 N ATOM 293 CA LEU A 22 3.388 -6.395 -0.639 1.00 0.00 C ATOM 294 C LEU A 22 2.657 -5.755 -1.815 1.00 0.00 C ATOM 295 O LEU A 22 1.428 -5.671 -1.824 1.00 0.00 O ATOM 296 CB LEU A 22 4.181 -5.332 0.123 1.00 0.00 C ATOM 297 CG LEU A 22 4.449 -5.624 1.600 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.507 -4.679 2.147 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.164 -5.515 2.407 1.00 0.00 C ATOM 0 H LEU A 22 5.168 -7.504 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 22 2.648 -6.835 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.139 -5.193 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.644 -4.386 0.052 1.00 0.00 H new ATOM 0 HG LEU A 22 4.823 -6.644 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.685 -4.902 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.434 -4.807 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.162 -3.650 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.374 -5.726 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.760 -4.507 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.436 -6.234 2.031 1.00 0.00 H new ATOM 311 N TYR A 23 3.420 -5.306 -2.805 1.00 0.00 N ATOM 312 CA TYR A 23 2.845 -4.673 -3.986 1.00 0.00 C ATOM 313 C TYR A 23 1.590 -5.412 -4.444 1.00 0.00 C ATOM 314 O TYR A 23 0.502 -4.838 -4.493 1.00 0.00 O ATOM 315 CB TYR A 23 3.870 -4.635 -5.121 1.00 0.00 C ATOM 316 CG TYR A 23 3.400 -3.869 -6.336 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.636 -4.486 -7.319 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.721 -2.527 -6.504 1.00 0.00 C ATOM 319 CE1 TYR A 23 2.205 -3.790 -8.431 1.00 0.00 C ATOM 320 CE2 TYR A 23 3.294 -1.823 -7.612 1.00 0.00 C ATOM 321 CZ TYR A 23 2.536 -2.459 -8.573 1.00 0.00 C ATOM 322 OH TYR A 23 2.109 -1.761 -9.680 1.00 0.00 O ATOM 0 H TYR A 23 4.438 -5.369 -2.813 1.00 0.00 H new ATOM 0 HA TYR A 23 2.568 -3.653 -3.721 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.791 -4.185 -4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.110 -5.656 -5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.375 -5.528 -7.211 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.315 -2.026 -5.754 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.612 -4.285 -9.185 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.552 -0.780 -7.726 1.00 0.00 H new ATOM 0 HH TYR A 23 2.427 -0.836 -9.626 1.00 0.00 H new ATOM 332 N ASP A 24 1.752 -6.687 -4.777 1.00 0.00 N ATOM 333 CA ASP A 24 0.633 -7.507 -5.229 1.00 0.00 C ATOM 334 C ASP A 24 -0.380 -7.709 -4.108 1.00 0.00 C ATOM 335 O ASP A 24 -1.560 -7.387 -4.255 1.00 0.00 O ATOM 336 CB ASP A 24 1.136 -8.862 -5.731 1.00 0.00 C ATOM 337 CG ASP A 24 0.162 -9.523 -6.686 1.00 0.00 C ATOM 338 OD1 ASP A 24 -1.044 -9.206 -6.617 1.00 0.00 O ATOM 339 OD2 ASP A 24 0.606 -10.358 -7.502 1.00 0.00 O ATOM 0 H ASP A 24 2.647 -7.176 -4.743 1.00 0.00 H new ATOM 0 HA ASP A 24 0.140 -6.985 -6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.096 -8.728 -6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.309 -9.520 -4.880 1.00 0.00 H new ATOM 344 N THR A 25 0.086 -8.247 -2.985 1.00 0.00 N ATOM 345 CA THR A 25 -0.779 -8.495 -1.839 1.00 0.00 C ATOM 346 C THR A 25 -1.799 -7.375 -1.667 1.00 0.00 C ATOM 347 O THR A 25 -2.945 -7.619 -1.290 1.00 0.00 O ATOM 348 CB THR A 25 0.036 -8.635 -0.539 1.00 0.00 C ATOM 349 OG1 THR A 25 0.914 -9.763 -0.631 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.884 -8.798 0.661 1.00 0.00 C ATOM 0 H THR A 25 1.059 -8.519 -2.845 1.00 0.00 H new ATOM 0 HA THR A 25 -1.301 -9.432 -2.035 1.00 0.00 H new ATOM 0 HB THR A 25 0.624 -7.727 -0.405 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.430 -9.844 0.198 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.286 -8.895 1.567 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.531 -7.925 0.745 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.495 -9.691 0.532 1.00 0.00 H new ATOM 358 N PHE A 26 -1.375 -6.148 -1.948 1.00 0.00 N ATOM 359 CA PHE A 26 -2.252 -4.989 -1.824 1.00 0.00 C ATOM 360 C PHE A 26 -2.858 -4.619 -3.175 1.00 0.00 C ATOM 361 O PHE A 26 -3.977 -4.111 -3.248 1.00 0.00 O ATOM 362 CB PHE A 26 -1.481 -3.797 -1.254 1.00 0.00 C ATOM 363 CG PHE A 26 -1.250 -3.886 0.227 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.553 -4.953 0.770 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.729 -2.902 1.077 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.338 -5.037 2.133 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.517 -2.980 2.440 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.822 -4.050 2.969 1.00 0.00 C ATOM 0 H PHE A 26 -0.430 -5.930 -2.263 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.061 -5.248 -1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.518 -3.721 -1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.029 -2.881 -1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.173 -5.728 0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.275 -2.064 0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.208 -5.874 2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.894 -2.205 3.091 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.657 -4.115 4.034 1.00 0.00 H new ATOM 378 N SER A 27 -2.109 -4.876 -4.243 1.00 0.00 N ATOM 379 CA SER A 27 -2.569 -4.566 -5.591 1.00 0.00 C ATOM 380 C SER A 27 -3.974 -5.114 -5.826 1.00 0.00 C ATOM 381 O SER A 27 -4.765 -4.527 -6.563 1.00 0.00 O ATOM 382 CB SER A 27 -1.604 -5.145 -6.628 1.00 0.00 C ATOM 383 OG SER A 27 -1.961 -4.741 -7.939 1.00 0.00 O ATOM 0 H SER A 27 -1.181 -5.298 -4.200 1.00 0.00 H new ATOM 0 HA SER A 27 -2.598 -3.482 -5.697 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.588 -4.817 -6.407 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.608 -6.233 -6.566 1.00 0.00 H new ATOM 0 HG SER A 27 -1.328 -5.123 -8.583 1.00 0.00 H new ATOM 389 N ALA A 28 -4.275 -6.243 -5.193 1.00 0.00 N ATOM 390 CA ALA A 28 -5.584 -6.869 -5.330 1.00 0.00 C ATOM 391 C ALA A 28 -6.702 -5.872 -5.046 1.00 0.00 C ATOM 392 O ALA A 28 -7.677 -5.789 -5.793 1.00 0.00 O ATOM 393 CB ALA A 28 -5.695 -8.068 -4.400 1.00 0.00 C ATOM 0 H ALA A 28 -3.630 -6.743 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.690 -7.210 -6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.678 -8.526 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.924 -8.796 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.563 -7.742 -3.368 1.00 0.00 H new ATOM 399 N PHE A 29 -6.555 -5.118 -3.962 1.00 0.00 N ATOM 400 CA PHE A 29 -7.555 -4.128 -3.579 1.00 0.00 C ATOM 401 C PHE A 29 -7.561 -2.955 -4.555 1.00 0.00 C ATOM 402 O PHE A 29 -8.506 -2.776 -5.322 1.00 0.00 O ATOM 403 CB PHE A 29 -7.285 -3.622 -2.160 1.00 0.00 C ATOM 404 CG PHE A 29 -7.098 -4.724 -1.157 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.124 -5.616 -0.887 1.00 0.00 C ATOM 406 CD2 PHE A 29 -5.895 -4.869 -0.483 1.00 0.00 C ATOM 407 CE1 PHE A 29 -7.954 -6.630 0.036 1.00 0.00 C ATOM 408 CE2 PHE A 29 -5.720 -5.882 0.441 1.00 0.00 C ATOM 409 CZ PHE A 29 -6.750 -6.764 0.700 1.00 0.00 C ATOM 0 H PHE A 29 -5.754 -5.173 -3.333 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.534 -4.607 -3.607 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.393 -2.995 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.115 -2.991 -1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.067 -5.517 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.085 -4.183 -0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.762 -7.318 0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.778 -5.983 0.960 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.615 -7.557 1.420 1.00 0.00 H new ATOM 419 N GLY A 30 -6.497 -2.158 -4.521 1.00 0.00 N ATOM 420 CA GLY A 30 -6.399 -1.013 -5.406 1.00 0.00 C ATOM 421 C GLY A 30 -5.093 -0.983 -6.175 1.00 0.00 C ATOM 422 O GLY A 30 -4.285 -1.907 -6.076 1.00 0.00 O ATOM 0 H GLY A 30 -5.701 -2.285 -3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.231 -1.030 -6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.494 -0.098 -4.822 1.00 0.00 H new ATOM 426 N VAL A 31 -4.885 0.080 -6.945 1.00 0.00 N ATOM 427 CA VAL A 31 -3.668 0.226 -7.734 1.00 0.00 C ATOM 428 C VAL A 31 -2.634 1.071 -6.999 1.00 0.00 C ATOM 429 O VAL A 31 -2.916 2.198 -6.590 1.00 0.00 O ATOM 430 CB VAL A 31 -3.960 0.868 -9.103 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.666 1.119 -9.863 1.00 0.00 C ATOM 432 CG2 VAL A 31 -4.902 -0.010 -9.913 1.00 0.00 C ATOM 0 H VAL A 31 -5.544 0.853 -7.039 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.270 -0.777 -7.889 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.448 1.829 -8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.893 1.573 -10.828 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.030 1.791 -9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.147 0.173 -10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.097 0.459 -10.877 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.444 -0.986 -10.071 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.840 -0.132 -9.372 1.00 0.00 H new ATOM 442 N ILE A 32 -1.436 0.520 -6.834 1.00 0.00 N ATOM 443 CA ILE A 32 -0.359 1.224 -6.149 1.00 0.00 C ATOM 444 C ILE A 32 0.265 2.284 -7.050 1.00 0.00 C ATOM 445 O ILE A 32 0.461 2.061 -8.246 1.00 0.00 O ATOM 446 CB ILE A 32 0.740 0.252 -5.681 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.196 -0.686 -4.602 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.943 1.025 -5.161 1.00 0.00 C ATOM 449 CD1 ILE A 32 1.154 -1.795 -4.227 1.00 0.00 C ATOM 0 H ILE A 32 -1.187 -0.412 -7.165 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.801 1.706 -5.277 1.00 0.00 H new ATOM 0 HB ILE A 32 1.059 -0.350 -6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.040 -0.104 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.738 -1.126 -4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.712 0.325 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.341 1.656 -5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.639 1.649 -4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.703 -2.421 -3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.371 -2.401 -5.106 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.080 -1.363 -3.847 1.00 0.00 H new ATOM 461 N LEU A 33 0.576 3.437 -6.470 1.00 0.00 N ATOM 462 CA LEU A 33 1.181 4.533 -7.220 1.00 0.00 C ATOM 463 C LEU A 33 2.590 4.168 -7.675 1.00 0.00 C ATOM 464 O LEU A 33 2.925 4.302 -8.852 1.00 0.00 O ATOM 465 CB LEU A 33 1.221 5.801 -6.365 1.00 0.00 C ATOM 466 CG LEU A 33 -0.080 6.602 -6.291 1.00 0.00 C ATOM 467 CD1 LEU A 33 0.061 7.760 -5.315 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.472 7.110 -7.671 1.00 0.00 C ATOM 0 H LEU A 33 0.419 3.638 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 33 0.570 4.717 -8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.511 5.523 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.004 6.453 -6.753 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.870 5.944 -5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.874 8.318 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.295 7.373 -4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.864 8.419 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.400 7.678 -7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.318 7.753 -8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.615 6.264 -8.343 1.00 0.00 H new ATOM 480 N GLN A 34 3.409 3.706 -6.737 1.00 0.00 N ATOM 481 CA GLN A 34 4.781 3.320 -7.043 1.00 0.00 C ATOM 482 C GLN A 34 5.309 2.324 -6.016 1.00 0.00 C ATOM 483 O GLN A 34 4.739 2.169 -4.935 1.00 0.00 O ATOM 484 CB GLN A 34 5.683 4.555 -7.084 1.00 0.00 C ATOM 485 CG GLN A 34 5.155 5.665 -7.979 1.00 0.00 C ATOM 486 CD GLN A 34 6.079 6.866 -8.027 1.00 0.00 C ATOM 487 OE1 GLN A 34 6.973 6.942 -8.870 1.00 0.00 O ATOM 488 NE2 GLN A 34 5.868 7.812 -7.120 1.00 0.00 N ATOM 0 H GLN A 34 3.146 3.590 -5.758 1.00 0.00 H new ATOM 0 HA GLN A 34 4.787 2.841 -8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.802 4.941 -6.072 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.673 4.260 -7.431 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.016 5.278 -8.988 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.175 5.980 -7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.115 7.708 -6.440 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.459 8.643 -7.103 1.00 0.00 H new ATOM 497 N THR A 35 6.403 1.651 -6.359 1.00 0.00 N ATOM 498 CA THR A 35 7.007 0.669 -5.468 1.00 0.00 C ATOM 499 C THR A 35 6.902 1.109 -4.012 1.00 0.00 C ATOM 500 O THR A 35 7.226 2.243 -3.657 1.00 0.00 O ATOM 501 CB THR A 35 8.489 0.432 -5.815 1.00 0.00 C ATOM 502 OG1 THR A 35 8.594 -0.448 -6.940 1.00 0.00 O ATOM 503 CG2 THR A 35 9.235 -0.161 -4.629 1.00 0.00 C ATOM 0 H THR A 35 6.889 1.769 -7.248 1.00 0.00 H new ATOM 0 HA THR A 35 6.456 -0.262 -5.604 1.00 0.00 H new ATOM 0 HB THR A 35 8.939 1.393 -6.063 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.539 -0.592 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.279 -0.319 -4.898 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.178 0.525 -3.784 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.783 -1.114 -4.354 1.00 0.00 H new ATOM 511 N PRO A 36 6.440 0.194 -3.148 1.00 0.00 N ATOM 512 CA PRO A 36 6.283 0.465 -1.716 1.00 0.00 C ATOM 513 C PRO A 36 7.623 0.605 -1.002 1.00 0.00 C ATOM 514 O PRO A 36 8.615 -0.008 -1.396 1.00 0.00 O ATOM 515 CB PRO A 36 5.530 -0.765 -1.203 1.00 0.00 C ATOM 516 CG PRO A 36 5.871 -1.848 -2.166 1.00 0.00 C ATOM 517 CD PRO A 36 6.035 -1.177 -3.502 1.00 0.00 C ATOM 0 HA PRO A 36 5.764 1.406 -1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.839 -1.024 -0.190 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.455 -0.587 -1.172 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.788 -2.359 -1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.084 -2.601 -2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.790 -1.674 -4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.107 -1.187 -4.073 1.00 0.00 H new ATOM 525 N LYS A 37 7.646 1.415 0.051 1.00 0.00 N ATOM 526 CA LYS A 37 8.863 1.635 0.821 1.00 0.00 C ATOM 527 C LYS A 37 8.817 0.873 2.142 1.00 0.00 C ATOM 528 O LYS A 37 7.866 1.008 2.913 1.00 0.00 O ATOM 529 CB LYS A 37 9.059 3.129 1.090 1.00 0.00 C ATOM 530 CG LYS A 37 9.256 3.953 -0.171 1.00 0.00 C ATOM 531 CD LYS A 37 9.217 5.443 0.124 1.00 0.00 C ATOM 532 CE LYS A 37 10.571 5.954 0.591 1.00 0.00 C ATOM 533 NZ LYS A 37 10.511 7.384 1.005 1.00 0.00 N ATOM 0 H LYS A 37 6.834 1.930 0.391 1.00 0.00 H new ATOM 0 HA LYS A 37 9.704 1.264 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.192 3.509 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.924 3.262 1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.212 3.697 -0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.479 3.704 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.912 5.984 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.467 5.644 0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.919 5.348 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.299 5.838 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.453 7.695 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.203 7.966 0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.835 7.491 1.788 1.00 0.00 H new ATOM 547 N ILE A 38 9.848 0.075 2.396 1.00 0.00 N ATOM 548 CA ILE A 38 9.924 -0.706 3.624 1.00 0.00 C ATOM 549 C ILE A 38 11.104 -0.264 4.484 1.00 0.00 C ATOM 550 O ILE A 38 12.261 -0.413 4.092 1.00 0.00 O ATOM 551 CB ILE A 38 10.056 -2.212 3.327 1.00 0.00 C ATOM 552 CG1 ILE A 38 8.766 -2.745 2.701 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.389 -2.976 4.599 1.00 0.00 C ATOM 554 CD1 ILE A 38 8.960 -4.017 1.906 1.00 0.00 C ATOM 0 H ILE A 38 10.642 -0.048 1.768 1.00 0.00 H new ATOM 0 HA ILE A 38 8.995 -0.531 4.167 1.00 0.00 H new ATOM 0 HB ILE A 38 10.870 -2.357 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.037 -2.927 3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.345 -1.980 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.479 -4.038 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.332 -2.611 5.007 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.595 -2.827 5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.004 -4.337 1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.664 -3.835 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.352 -4.798 2.558 1.00 0.00 H new ATOM 566 N MET A 39 10.802 0.279 5.659 1.00 0.00 N ATOM 567 CA MET A 39 11.838 0.740 6.576 1.00 0.00 C ATOM 568 C MET A 39 12.642 -0.436 7.123 1.00 0.00 C ATOM 569 O MET A 39 12.235 -1.083 8.088 1.00 0.00 O ATOM 570 CB MET A 39 11.213 1.526 7.730 1.00 0.00 C ATOM 571 CG MET A 39 10.909 2.975 7.383 1.00 0.00 C ATOM 572 SD MET A 39 9.270 3.188 6.664 1.00 0.00 S ATOM 573 CE MET A 39 9.605 4.431 5.419 1.00 0.00 C ATOM 0 H MET A 39 9.849 0.410 5.998 1.00 0.00 H new ATOM 0 HA MET A 39 12.513 1.394 6.024 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.291 1.033 8.037 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.889 1.500 8.585 1.00 0.00 H new ATOM 0 HG2 MET A 39 10.988 3.584 8.283 1.00 0.00 H new ATOM 0 HG3 MET A 39 11.659 3.342 6.682 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.684 4.670 4.886 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.991 5.331 5.898 1.00 0.00 H new ATOM 0 HE3 MET A 39 10.344 4.050 4.714 1.00 0.00 H new ATOM 691 N LYS A 48 12.649 -3.624 10.072 1.00 0.00 N ATOM 692 CA LYS A 48 12.129 -3.120 11.338 1.00 0.00 C ATOM 693 C LYS A 48 10.813 -3.804 11.696 1.00 0.00 C ATOM 694 O LYS A 48 10.620 -4.245 12.828 1.00 0.00 O ATOM 695 CB LYS A 48 11.924 -1.605 11.262 1.00 0.00 C ATOM 696 CG LYS A 48 13.147 -0.805 11.673 1.00 0.00 C ATOM 697 CD LYS A 48 13.439 -0.956 13.156 1.00 0.00 C ATOM 698 CE LYS A 48 14.197 0.246 13.701 1.00 0.00 C ATOM 699 NZ LYS A 48 14.043 0.377 15.176 1.00 0.00 N ATOM 0 HA LYS A 48 12.858 -3.343 12.117 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.649 -1.335 10.242 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.087 -1.327 11.902 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.010 -1.136 11.096 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.990 0.248 11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.503 -1.075 13.702 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.023 -1.861 13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.254 0.151 13.453 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.836 1.153 13.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.574 1.207 15.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.037 0.493 15.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.411 -0.478 15.641 1.00 0.00 H new ATOM 713 N GLY A 49 9.912 -3.891 10.722 1.00 0.00 N ATOM 714 CA GLY A 49 8.627 -4.525 10.955 1.00 0.00 C ATOM 715 C GLY A 49 7.465 -3.664 10.499 1.00 0.00 C ATOM 716 O GLY A 49 6.306 -3.981 10.768 1.00 0.00 O ATOM 0 H GLY A 49 10.049 -3.534 9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.596 -5.480 10.430 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.520 -4.742 12.018 1.00 0.00 H new ATOM 720 N TYR A 50 7.775 -2.572 9.809 1.00 0.00 N ATOM 721 CA TYR A 50 6.748 -1.661 9.319 1.00 0.00 C ATOM 722 C TYR A 50 7.149 -1.061 7.975 1.00 0.00 C ATOM 723 O TYR A 50 8.334 -0.956 7.658 1.00 0.00 O ATOM 724 CB TYR A 50 6.500 -0.545 10.335 1.00 0.00 C ATOM 725 CG TYR A 50 7.762 0.152 10.790 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.366 1.123 10.000 1.00 0.00 C ATOM 727 CD2 TYR A 50 8.351 -0.161 12.009 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.520 1.761 10.412 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.504 0.473 12.429 1.00 0.00 C ATOM 730 CZ TYR A 50 10.085 1.434 11.627 1.00 0.00 C ATOM 731 OH TYR A 50 11.234 2.067 12.041 1.00 0.00 O ATOM 0 H TYR A 50 8.729 -2.296 9.577 1.00 0.00 H new ATOM 0 HA TYR A 50 5.828 -2.230 9.183 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.827 0.191 9.896 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.992 -0.963 11.204 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.926 1.383 9.049 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.899 -0.913 12.639 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.978 2.512 9.786 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.948 0.218 13.380 1.00 0.00 H new ATOM 0 HH TYR A 50 11.500 1.721 12.919 1.00 0.00 H new ATOM 741 N ALA A 51 6.153 -0.666 7.189 1.00 0.00 N ATOM 742 CA ALA A 51 6.400 -0.074 5.881 1.00 0.00 C ATOM 743 C ALA A 51 5.324 0.948 5.528 1.00 0.00 C ATOM 744 O ALA A 51 4.333 1.093 6.245 1.00 0.00 O ATOM 745 CB ALA A 51 6.471 -1.157 4.815 1.00 0.00 C ATOM 0 H ALA A 51 5.167 -0.746 7.436 1.00 0.00 H new ATOM 0 HA ALA A 51 7.358 0.444 5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.656 -0.699 3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.281 -1.847 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.527 -1.701 4.786 1.00 0.00 H new ATOM 751 N PHE A 52 5.524 1.653 4.420 1.00 0.00 N ATOM 752 CA PHE A 52 4.571 2.663 3.974 1.00 0.00 C ATOM 753 C PHE A 52 4.245 2.486 2.494 1.00 0.00 C ATOM 754 O PHE A 52 5.134 2.245 1.676 1.00 0.00 O ATOM 755 CB PHE A 52 5.129 4.066 4.221 1.00 0.00 C ATOM 756 CG PHE A 52 5.153 4.455 5.671 1.00 0.00 C ATOM 757 CD1 PHE A 52 5.976 3.792 6.567 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.352 5.484 6.139 1.00 0.00 C ATOM 759 CE1 PHE A 52 5.999 4.147 7.902 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.371 5.844 7.474 1.00 0.00 C ATOM 761 CZ PHE A 52 5.197 5.176 8.356 1.00 0.00 C ATOM 0 H PHE A 52 6.337 1.544 3.814 1.00 0.00 H new ATOM 0 HA PHE A 52 3.653 2.539 4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.142 4.121 3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.529 4.789 3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.607 2.988 6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.705 6.011 5.453 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.644 3.620 8.590 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.740 6.647 7.826 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.216 5.457 9.399 1.00 0.00 H new ATOM 771 N ILE A 53 2.966 2.608 2.157 1.00 0.00 N ATOM 772 CA ILE A 53 2.522 2.462 0.776 1.00 0.00 C ATOM 773 C ILE A 53 1.509 3.540 0.408 1.00 0.00 C ATOM 774 O ILE A 53 0.699 3.954 1.236 1.00 0.00 O ATOM 775 CB ILE A 53 1.894 1.077 0.530 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.797 -0.023 1.091 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.650 0.864 -0.956 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.250 -1.418 0.881 1.00 0.00 C ATOM 0 H ILE A 53 2.218 2.808 2.821 1.00 0.00 H new ATOM 0 HA ILE A 53 3.406 2.568 0.147 1.00 0.00 H new ATOM 0 HB ILE A 53 0.935 1.031 1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.778 0.049 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.941 0.145 2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.206 -0.119 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.972 1.633 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.597 0.925 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.941 -2.147 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.282 -1.507 1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.132 -1.606 -0.186 1.00 0.00 H new ATOM 790 N ASN A 54 1.560 3.990 -0.842 1.00 0.00 N ATOM 791 CA ASN A 54 0.645 5.020 -1.321 1.00 0.00 C ATOM 792 C ASN A 54 -0.227 4.488 -2.454 1.00 0.00 C ATOM 793 O ASN A 54 0.274 3.919 -3.423 1.00 0.00 O ATOM 794 CB ASN A 54 1.428 6.245 -1.798 1.00 0.00 C ATOM 795 CG ASN A 54 2.133 6.959 -0.660 1.00 0.00 C ATOM 796 OD1 ASN A 54 2.180 6.462 0.465 1.00 0.00 O ATOM 797 ND2 ASN A 54 2.686 8.131 -0.950 1.00 0.00 N ATOM 0 H ASN A 54 2.225 3.658 -1.541 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.002 5.310 -0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.163 5.936 -2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.747 6.938 -2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.175 8.658 -0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.622 8.505 -1.897 1.00 0.00 H new ATOM 804 N PHE A 55 -1.536 4.679 -2.325 1.00 0.00 N ATOM 805 CA PHE A 55 -2.479 4.218 -3.337 1.00 0.00 C ATOM 806 C PHE A 55 -2.783 5.326 -4.341 1.00 0.00 C ATOM 807 O PHE A 55 -2.397 6.478 -4.147 1.00 0.00 O ATOM 808 CB PHE A 55 -3.775 3.742 -2.678 1.00 0.00 C ATOM 809 CG PHE A 55 -3.746 2.296 -2.272 1.00 0.00 C ATOM 810 CD1 PHE A 55 -4.007 1.298 -3.197 1.00 0.00 C ATOM 811 CD2 PHE A 55 -3.458 1.935 -0.966 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.981 -0.033 -2.828 1.00 0.00 C ATOM 813 CE2 PHE A 55 -3.429 0.605 -0.591 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.692 -0.380 -1.522 1.00 0.00 C ATOM 0 H PHE A 55 -1.968 5.150 -1.530 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.023 3.384 -3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.972 4.354 -1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.604 3.901 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.234 1.564 -4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.254 2.701 -0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.186 -0.801 -3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.201 0.336 0.430 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.672 -1.420 -1.230 1.00 0.00 H new ATOM 824 N ALA A 56 -3.478 4.967 -5.416 1.00 0.00 N ATOM 825 CA ALA A 56 -3.835 5.930 -6.451 1.00 0.00 C ATOM 826 C ALA A 56 -4.849 6.944 -5.931 1.00 0.00 C ATOM 827 O ALA A 56 -4.639 8.153 -6.032 1.00 0.00 O ATOM 828 CB ALA A 56 -4.385 5.211 -7.673 1.00 0.00 C ATOM 0 H ALA A 56 -3.805 4.017 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.933 6.471 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.647 5.942 -8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.629 4.531 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.273 4.644 -7.393 1.00 0.00 H new ATOM 834 N SER A 57 -5.947 6.444 -5.374 1.00 0.00 N ATOM 835 CA SER A 57 -6.995 7.307 -4.842 1.00 0.00 C ATOM 836 C SER A 57 -7.265 6.992 -3.374 1.00 0.00 C ATOM 837 O SER A 57 -6.649 6.096 -2.796 1.00 0.00 O ATOM 838 CB SER A 57 -8.281 7.144 -5.655 1.00 0.00 C ATOM 839 OG SER A 57 -8.081 7.520 -7.006 1.00 0.00 O ATOM 0 H SER A 57 -6.134 5.446 -5.279 1.00 0.00 H new ATOM 0 HA SER A 57 -6.654 8.340 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.616 6.108 -5.608 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.071 7.754 -5.218 1.00 0.00 H new ATOM 0 HG SER A 57 -8.917 7.405 -7.505 1.00 0.00 H new ATOM 845 N PHE A 58 -8.190 7.735 -2.776 1.00 0.00 N ATOM 846 CA PHE A 58 -8.542 7.537 -1.375 1.00 0.00 C ATOM 847 C PHE A 58 -9.378 6.273 -1.197 1.00 0.00 C ATOM 848 O PHE A 58 -9.071 5.426 -0.359 1.00 0.00 O ATOM 849 CB PHE A 58 -9.311 8.749 -0.844 1.00 0.00 C ATOM 850 CG PHE A 58 -9.240 8.897 0.649 1.00 0.00 C ATOM 851 CD1 PHE A 58 -8.099 9.400 1.255 1.00 0.00 C ATOM 852 CD2 PHE A 58 -10.313 8.534 1.447 1.00 0.00 C ATOM 853 CE1 PHE A 58 -8.031 9.536 2.629 1.00 0.00 C ATOM 854 CE2 PHE A 58 -10.251 8.669 2.821 1.00 0.00 C ATOM 855 CZ PHE A 58 -9.109 9.171 3.412 1.00 0.00 C ATOM 0 H PHE A 58 -8.710 8.480 -3.240 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.618 7.424 -0.807 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.916 9.652 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.356 8.666 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.254 9.689 0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -11.209 8.141 0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.136 9.927 3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -11.095 8.382 3.431 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.058 9.278 4.485 1.00 0.00 H new ATOM 865 N ASP A 59 -10.436 6.154 -1.992 1.00 0.00 N ATOM 866 CA ASP A 59 -11.316 4.993 -1.925 1.00 0.00 C ATOM 867 C ASP A 59 -10.510 3.708 -1.760 1.00 0.00 C ATOM 868 O ASP A 59 -10.779 2.906 -0.867 1.00 0.00 O ATOM 869 CB ASP A 59 -12.182 4.910 -3.182 1.00 0.00 C ATOM 870 CG ASP A 59 -13.055 3.670 -3.203 1.00 0.00 C ATOM 871 OD1 ASP A 59 -13.891 3.518 -2.287 1.00 0.00 O ATOM 872 OD2 ASP A 59 -12.903 2.853 -4.134 1.00 0.00 O ATOM 0 H ASP A 59 -10.705 6.847 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.963 5.108 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.813 5.796 -3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.540 4.914 -4.063 1.00 0.00 H new ATOM 877 N ALA A 60 -9.522 3.521 -2.629 1.00 0.00 N ATOM 878 CA ALA A 60 -8.677 2.334 -2.579 1.00 0.00 C ATOM 879 C ALA A 60 -8.144 2.098 -1.170 1.00 0.00 C ATOM 880 O ALA A 60 -8.202 0.982 -0.653 1.00 0.00 O ATOM 881 CB ALA A 60 -7.526 2.465 -3.566 1.00 0.00 C ATOM 0 H ALA A 60 -9.287 4.175 -3.375 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.285 1.473 -2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.903 1.572 -3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.923 2.577 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.927 3.340 -3.312 1.00 0.00 H new ATOM 887 N SER A 61 -7.625 3.155 -0.554 1.00 0.00 N ATOM 888 CA SER A 61 -7.078 3.061 0.795 1.00 0.00 C ATOM 889 C SER A 61 -8.139 2.581 1.780 1.00 0.00 C ATOM 890 O SER A 61 -7.822 1.995 2.815 1.00 0.00 O ATOM 891 CB SER A 61 -6.528 4.417 1.241 1.00 0.00 C ATOM 892 OG SER A 61 -5.645 4.953 0.271 1.00 0.00 O ATOM 0 H SER A 61 -7.572 4.086 -0.967 1.00 0.00 H new ATOM 0 HA SER A 61 -6.266 2.334 0.781 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.352 5.110 1.409 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.006 4.306 2.191 1.00 0.00 H new ATOM 0 HG SER A 61 -5.308 5.820 0.579 1.00 0.00 H new ATOM 898 N ASP A 62 -9.401 2.833 1.449 1.00 0.00 N ATOM 899 CA ASP A 62 -10.511 2.427 2.303 1.00 0.00 C ATOM 900 C ASP A 62 -10.626 0.907 2.358 1.00 0.00 C ATOM 901 O ASP A 62 -10.697 0.318 3.436 1.00 0.00 O ATOM 902 CB ASP A 62 -11.821 3.032 1.796 1.00 0.00 C ATOM 903 CG ASP A 62 -12.891 3.080 2.869 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.604 3.596 3.969 1.00 0.00 O ATOM 905 OD2 ASP A 62 -14.014 2.600 2.610 1.00 0.00 O ATOM 0 H ASP A 62 -9.681 3.316 0.595 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.316 2.796 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.633 4.041 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.184 2.448 0.951 1.00 0.00 H new ATOM 910 N ALA A 63 -10.645 0.277 1.187 1.00 0.00 N ATOM 911 CA ALA A 63 -10.751 -1.174 1.101 1.00 0.00 C ATOM 912 C ALA A 63 -9.747 -1.853 2.027 1.00 0.00 C ATOM 913 O ALA A 63 -10.088 -2.791 2.746 1.00 0.00 O ATOM 914 CB ALA A 63 -10.544 -1.634 -0.334 1.00 0.00 C ATOM 0 H ALA A 63 -10.588 0.750 0.285 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.753 -1.461 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.626 -2.720 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.303 -1.183 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.555 -1.329 -0.675 1.00 0.00 H new ATOM 920 N ALA A 64 -8.508 -1.373 2.003 1.00 0.00 N ATOM 921 CA ALA A 64 -7.455 -1.933 2.841 1.00 0.00 C ATOM 922 C ALA A 64 -7.768 -1.736 4.320 1.00 0.00 C ATOM 923 O ALA A 64 -7.948 -2.703 5.060 1.00 0.00 O ATOM 924 CB ALA A 64 -6.114 -1.304 2.494 1.00 0.00 C ATOM 0 H ALA A 64 -8.209 -0.597 1.412 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.402 -3.004 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.337 -1.731 3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.879 -1.502 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.164 -0.227 2.657 1.00 0.00 H new ATOM 930 N ILE A 65 -7.831 -0.478 4.744 1.00 0.00 N ATOM 931 CA ILE A 65 -8.122 -0.156 6.135 1.00 0.00 C ATOM 932 C ILE A 65 -9.344 -0.919 6.633 1.00 0.00 C ATOM 933 O ILE A 65 -9.542 -1.076 7.837 1.00 0.00 O ATOM 934 CB ILE A 65 -8.362 1.354 6.325 1.00 0.00 C ATOM 935 CG1 ILE A 65 -7.074 2.135 6.052 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.872 1.637 7.730 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.299 3.617 5.850 1.00 0.00 C ATOM 0 H ILE A 65 -7.684 0.334 4.144 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.249 -0.454 6.716 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.120 1.679 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.387 1.990 6.886 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.591 1.725 5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.037 2.708 7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.810 1.106 7.890 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.135 1.300 8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.344 4.108 5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.961 3.772 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.754 4.041 6.745 1.00 0.00 H new ATOM 949 N GLU A 66 -10.160 -1.394 5.696 1.00 0.00 N ATOM 950 CA GLU A 66 -11.363 -2.142 6.040 1.00 0.00 C ATOM 951 C GLU A 66 -11.045 -3.621 6.239 1.00 0.00 C ATOM 952 O GLU A 66 -11.463 -4.230 7.224 1.00 0.00 O ATOM 953 CB GLU A 66 -12.422 -1.979 4.948 1.00 0.00 C ATOM 954 CG GLU A 66 -13.839 -2.244 5.429 1.00 0.00 C ATOM 955 CD GLU A 66 -14.435 -1.060 6.166 1.00 0.00 C ATOM 956 OE1 GLU A 66 -14.871 -0.101 5.495 1.00 0.00 O ATOM 957 OE2 GLU A 66 -14.466 -1.093 7.414 1.00 0.00 O ATOM 0 H GLU A 66 -10.009 -1.274 4.694 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.753 -1.743 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.367 -0.966 4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.193 -2.659 4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.469 -2.490 4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.839 -3.114 6.086 1.00 0.00 H new ATOM 964 N ALA A 67 -10.304 -4.193 5.296 1.00 0.00 N ATOM 965 CA ALA A 67 -9.929 -5.600 5.367 1.00 0.00 C ATOM 966 C ALA A 67 -8.478 -5.759 5.809 1.00 0.00 C ATOM 967 O ALA A 67 -8.198 -6.362 6.844 1.00 0.00 O ATOM 968 CB ALA A 67 -10.150 -6.274 4.021 1.00 0.00 C ATOM 0 H ALA A 67 -9.951 -3.704 4.474 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.563 -6.083 6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.866 -7.324 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.202 -6.200 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.541 -5.782 3.263 1.00 0.00 H new ATOM 974 N MET A 68 -7.560 -5.215 5.017 1.00 0.00 N ATOM 975 CA MET A 68 -6.138 -5.297 5.328 1.00 0.00 C ATOM 976 C MET A 68 -5.884 -4.988 6.799 1.00 0.00 C ATOM 977 O MET A 68 -5.008 -5.582 7.426 1.00 0.00 O ATOM 978 CB MET A 68 -5.345 -4.330 4.447 1.00 0.00 C ATOM 979 CG MET A 68 -4.942 -4.920 3.105 1.00 0.00 C ATOM 980 SD MET A 68 -3.393 -5.840 3.188 1.00 0.00 S ATOM 981 CE MET A 68 -4.002 -7.507 3.428 1.00 0.00 C ATOM 0 H MET A 68 -7.775 -4.713 4.156 1.00 0.00 H new ATOM 0 HA MET A 68 -5.806 -6.316 5.127 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.942 -3.434 4.276 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.448 -4.018 4.981 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.734 -5.580 2.750 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.845 -4.117 2.374 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.539 -8.172 2.699 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.755 -7.843 4.435 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.084 -7.522 3.296 1.00 0.00 H new ATOM 991 N ASN A 69 -6.656 -4.054 7.345 1.00 0.00 N ATOM 992 CA ASN A 69 -6.514 -3.665 8.743 1.00 0.00 C ATOM 993 C ASN A 69 -6.745 -4.858 9.665 1.00 0.00 C ATOM 994 O ASN A 69 -7.860 -5.091 10.130 1.00 0.00 O ATOM 995 CB ASN A 69 -7.498 -2.544 9.085 1.00 0.00 C ATOM 996 CG ASN A 69 -7.589 -2.290 10.577 1.00 0.00 C ATOM 997 OD1 ASN A 69 -6.468 -1.920 11.184 1.00 0.00 O flip ATOM 998 ND2 ASN A 69 -8.656 -2.426 11.177 1.00 0.00 N flip ATOM 0 H ASN A 69 -7.387 -3.552 6.840 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.496 -3.304 8.892 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.190 -1.628 8.581 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.485 -2.802 8.702 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.493 -2.712 10.670 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.702 -2.252 12.181 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.681 -5.611 9.927 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.788 -6.771 10.793 1.00 0.00 C ATOM 1007 C GLY A 70 -5.505 -8.069 10.062 1.00 0.00 C ATOM 1008 O GLY A 70 -5.158 -9.074 10.682 1.00 0.00 O ATOM 0 H GLY A 70 -4.747 -5.439 9.555 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.090 -6.666 11.624 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.790 -6.810 11.221 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.656 -8.047 8.742 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.417 -9.232 7.927 1.00 0.00 C ATOM 1014 C GLN A 71 -4.210 -10.011 8.439 1.00 0.00 C ATOM 1015 O GLN A 71 -3.104 -9.476 8.523 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.201 -8.837 6.465 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.481 -8.811 5.646 1.00 0.00 C ATOM 1018 CD GLN A 71 -6.919 -10.194 5.204 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -6.544 -10.662 4.128 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -7.717 -10.856 6.033 1.00 0.00 N ATOM 0 H GLN A 71 -5.942 -7.222 8.214 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.296 -9.873 7.997 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.736 -7.852 6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.501 -9.537 6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.276 -8.353 6.235 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.333 -8.183 4.768 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.003 -10.430 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.044 -11.791 5.788 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.429 -11.275 8.781 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.359 -12.127 9.288 1.00 0.00 C ATOM 1031 C TYR A 72 -2.355 -12.453 8.187 1.00 0.00 C ATOM 1032 O TYR A 72 -2.602 -13.310 7.338 1.00 0.00 O ATOM 1033 CB TYR A 72 -3.938 -13.420 9.865 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.145 -13.972 11.028 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.205 -13.375 12.281 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.335 -15.090 10.873 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.482 -13.875 13.346 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.609 -15.598 11.933 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.686 -14.987 13.168 1.00 0.00 C ATOM 1040 OH TYR A 72 -0.964 -15.490 14.226 1.00 0.00 O ATOM 0 H TYR A 72 -5.338 -11.733 8.717 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.841 -11.585 10.079 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.962 -13.237 10.189 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.983 -14.172 9.077 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.828 -12.505 12.425 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.272 -15.570 9.908 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.540 -13.398 14.313 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.985 -16.468 11.796 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.457 -16.275 13.932 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.219 -11.763 8.208 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.175 -11.979 7.213 1.00 0.00 C ATOM 1052 C LEU A 73 0.821 -13.032 7.687 1.00 0.00 C ATOM 1053 O LEU A 73 0.745 -13.506 8.822 1.00 0.00 O ATOM 1054 CB LEU A 73 0.555 -10.667 6.919 1.00 0.00 C ATOM 1055 CG LEU A 73 1.325 -10.608 5.599 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.495 -11.200 4.470 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.722 -9.175 5.276 1.00 0.00 C ATOM 0 H LEU A 73 -0.998 -11.050 8.903 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.648 -12.339 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.176 -9.858 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.254 -10.473 7.733 1.00 0.00 H new ATOM 0 HG LEU A 73 2.234 -11.201 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.059 -11.149 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.262 -12.240 4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.431 -10.635 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.269 -9.153 4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.826 -8.560 5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.356 -8.785 6.072 1.00 0.00 H new ATOM 1069 N CYS A 74 1.754 -13.393 6.814 1.00 0.00 N ATOM 1070 CA CYS A 74 2.766 -14.390 7.144 1.00 0.00 C ATOM 1071 C CYS A 74 3.085 -14.368 8.635 1.00 0.00 C ATOM 1072 O CYS A 74 3.962 -13.630 9.082 1.00 0.00 O ATOM 1073 CB CYS A 74 4.040 -14.142 6.334 1.00 0.00 C ATOM 1074 SG CYS A 74 4.041 -14.921 4.703 1.00 0.00 S ATOM 0 H CYS A 74 1.831 -13.010 5.872 1.00 0.00 H new ATOM 0 HA CYS A 74 2.368 -15.373 6.890 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.177 -13.068 6.212 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.895 -14.509 6.901 1.00 0.00 H new ATOM 0 HG CYS A 74 5.158 -14.652 4.094 1.00 0.00 H new ATOM 1080 N ASN A 75 2.365 -15.182 9.401 1.00 0.00 N ATOM 1081 CA ASN A 75 2.569 -15.254 10.843 1.00 0.00 C ATOM 1082 C ASN A 75 2.863 -13.873 11.421 1.00 0.00 C ATOM 1083 O ASN A 75 3.821 -13.695 12.173 1.00 0.00 O ATOM 1084 CB ASN A 75 3.717 -16.211 11.169 1.00 0.00 C ATOM 1085 CG ASN A 75 3.486 -17.602 10.613 1.00 0.00 C ATOM 1086 OD1 ASN A 75 3.126 -18.524 11.346 1.00 0.00 O ATOM 1087 ND2 ASN A 75 3.692 -17.761 9.311 1.00 0.00 N ATOM 0 H ASN A 75 1.635 -15.801 9.047 1.00 0.00 H new ATOM 0 HA ASN A 75 1.652 -15.630 11.296 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.646 -15.811 10.764 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.840 -16.271 12.250 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.552 -18.675 8.880 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.990 -16.969 8.741 1.00 0.00 H new ATOM 1094 N ARG A 76 2.032 -12.899 11.064 1.00 0.00 N ATOM 1095 CA ARG A 76 2.203 -11.534 11.546 1.00 0.00 C ATOM 1096 C ARG A 76 0.998 -10.672 11.179 1.00 0.00 C ATOM 1097 O ARG A 76 0.763 -10.355 10.013 1.00 0.00 O ATOM 1098 CB ARG A 76 3.478 -10.921 10.964 1.00 0.00 C ATOM 1099 CG ARG A 76 4.744 -11.343 11.690 1.00 0.00 C ATOM 1100 CD ARG A 76 5.797 -10.246 11.659 1.00 0.00 C ATOM 1101 NE ARG A 76 5.620 -9.286 12.744 1.00 0.00 N ATOM 1102 CZ ARG A 76 6.497 -8.330 13.032 1.00 0.00 C ATOM 1103 NH1 ARG A 76 7.607 -8.209 12.317 1.00 0.00 N ATOM 1104 NH2 ARG A 76 6.264 -7.494 14.035 1.00 0.00 N ATOM 0 H ARG A 76 1.234 -13.030 10.443 1.00 0.00 H new ATOM 0 HA ARG A 76 2.287 -11.567 12.632 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.560 -11.203 9.914 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.396 -9.835 10.996 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.506 -11.591 12.724 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.145 -12.246 11.230 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.788 -10.693 11.729 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.749 -9.725 10.703 1.00 0.00 H new ATOM 0 HE ARG A 76 4.776 -9.353 13.313 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.789 -8.850 11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.279 -7.475 12.539 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.411 -7.584 14.587 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.938 -6.761 14.255 1.00 0.00 H new ATOM 1118 N PRO A 77 0.216 -10.285 12.197 1.00 0.00 N ATOM 1119 CA PRO A 77 -0.978 -9.456 12.007 1.00 0.00 C ATOM 1120 C PRO A 77 -0.632 -8.027 11.601 1.00 0.00 C ATOM 1121 O PRO A 77 -0.201 -7.224 12.428 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.645 -9.473 13.384 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.534 -9.738 14.341 1.00 0.00 C ATOM 1124 CD PRO A 77 0.436 -10.627 13.613 1.00 0.00 C ATOM 0 HA PRO A 77 -1.613 -9.834 11.206 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.134 -8.523 13.599 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.411 -10.246 13.443 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.055 -8.809 14.650 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.904 -10.222 15.245 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.465 -10.434 13.918 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.238 -11.681 13.807 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.825 -7.717 10.323 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.535 -6.385 9.809 1.00 0.00 C ATOM 1134 C ILE A 78 -1.655 -5.408 10.149 1.00 0.00 C ATOM 1135 O ILE A 78 -2.781 -5.814 10.442 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.331 -6.403 8.282 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.659 -6.672 7.571 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.703 -7.450 7.898 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.597 -6.463 6.075 1.00 0.00 C ATOM 0 H ILE A 78 -1.181 -8.370 9.625 1.00 0.00 H new ATOM 0 HA ILE A 78 0.388 -6.057 10.287 1.00 0.00 H new ATOM 0 HB ILE A 78 0.036 -5.426 7.968 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.969 -7.697 7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.425 -6.019 7.989 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.836 -7.450 6.816 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.653 -7.218 8.380 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.363 -8.433 8.222 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.573 -6.672 5.638 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.318 -5.431 5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.855 -7.135 5.644 1.00 0.00 H new ATOM 1151 N THR A 79 -1.341 -4.117 10.107 1.00 0.00 N ATOM 1152 CA THR A 79 -2.321 -3.082 10.410 1.00 0.00 C ATOM 1153 C THR A 79 -2.267 -1.956 9.383 1.00 0.00 C ATOM 1154 O THR A 79 -1.200 -1.626 8.865 1.00 0.00 O ATOM 1155 CB THR A 79 -2.098 -2.491 11.815 1.00 0.00 C ATOM 1156 OG1 THR A 79 -2.988 -1.391 12.031 1.00 0.00 O ATOM 1157 CG2 THR A 79 -0.659 -2.026 11.984 1.00 0.00 C ATOM 0 H THR A 79 -0.415 -3.763 9.866 1.00 0.00 H new ATOM 0 HA THR A 79 -3.302 -3.556 10.375 1.00 0.00 H new ATOM 0 HB THR A 79 -2.300 -3.271 12.549 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.841 -1.022 12.927 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.525 -1.612 12.984 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.015 -2.872 11.848 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.435 -1.260 11.242 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.423 -1.369 9.094 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.507 -0.278 8.131 1.00 0.00 C ATOM 1167 C VAL A 80 -4.189 0.942 8.739 1.00 0.00 C ATOM 1168 O VAL A 80 -5.289 0.844 9.284 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.276 -0.704 6.866 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.082 0.315 5.754 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.833 -2.088 6.415 1.00 0.00 C ATOM 0 H VAL A 80 -4.315 -1.631 9.513 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.484 -0.020 7.857 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.339 -0.747 7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.633 -0.003 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.452 1.286 6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.022 0.393 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.386 -2.373 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.766 -2.074 6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.029 -2.809 7.208 1.00 0.00 H new ATOM 1181 N SER A 81 -3.530 2.092 8.642 1.00 0.00 N ATOM 1182 CA SER A 81 -4.071 3.332 9.186 1.00 0.00 C ATOM 1183 C SER A 81 -3.501 4.542 8.452 1.00 0.00 C ATOM 1184 O SER A 81 -2.286 4.670 8.293 1.00 0.00 O ATOM 1185 CB SER A 81 -3.761 3.436 10.681 1.00 0.00 C ATOM 1186 OG SER A 81 -4.668 2.661 11.445 1.00 0.00 O ATOM 0 H SER A 81 -2.620 2.191 8.192 1.00 0.00 H new ATOM 0 HA SER A 81 -5.152 3.320 9.046 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.742 3.098 10.869 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.814 4.478 10.995 1.00 0.00 H new ATOM 0 HG SER A 81 -5.091 1.990 10.869 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.386 5.427 8.007 1.00 0.00 N ATOM 1193 CA TYR A 82 -3.973 6.625 7.287 1.00 0.00 C ATOM 1194 C TYR A 82 -2.805 7.309 7.992 1.00 0.00 C ATOM 1195 O TYR A 82 -2.823 7.493 9.209 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.146 7.598 7.158 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.078 7.274 6.012 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.698 7.504 4.696 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.338 6.738 6.247 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.547 7.210 3.646 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.193 6.440 5.203 1.00 0.00 C ATOM 1202 CZ TYR A 82 -7.793 6.678 3.905 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.641 6.383 2.862 1.00 0.00 O ATOM 0 H TYR A 82 -5.394 5.337 8.132 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.647 6.325 6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.713 7.595 8.089 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.757 8.607 7.025 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.723 7.920 4.490 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.655 6.551 7.263 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.237 7.396 2.628 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.169 6.023 5.403 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.923 7.213 2.425 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.792 7.684 7.218 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.618 8.350 7.767 1.00 0.00 C ATOM 1215 C ALA A 83 -0.983 9.706 8.362 1.00 0.00 C ATOM 1216 O ALA A 83 -2.077 10.222 8.131 1.00 0.00 O ATOM 1217 CB ALA A 83 0.447 8.514 6.692 1.00 0.00 C ATOM 0 H ALA A 83 -1.761 7.538 6.209 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.219 7.727 8.567 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.318 9.013 7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.738 7.533 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.048 9.113 5.873 1.00 0.00 H new