USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 464 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 4 ASN : amide:sc= -1.8 K(o=-1.8,f=-2.3) USER MOD Single : A 9 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.026) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0.0841 K(o=0.084,f=-0.82) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.127) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 2.417 5.168 5.976 1.00 0.00 N ATOM 33 CA GLU A 3 1.302 6.115 5.852 1.00 0.00 C ATOM 34 C GLU A 3 0.766 6.121 4.423 1.00 0.00 C ATOM 35 O GLU A 3 1.072 5.226 3.638 1.00 0.00 O ATOM 36 CB GLU A 3 1.771 7.522 6.238 1.00 0.00 C ATOM 37 CG GLU A 3 3.081 7.845 5.519 1.00 0.00 C ATOM 38 CD GLU A 3 3.447 9.308 5.741 1.00 0.00 C ATOM 39 OE1 GLU A 3 2.623 10.028 6.282 1.00 0.00 O ATOM 40 OE2 GLU A 3 4.540 9.692 5.360 1.00 0.00 O ATOM 0 HA GLU A 3 0.502 5.805 6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.009 8.255 5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.912 7.585 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.878 7.201 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.980 7.644 4.452 1.00 0.00 H new ATOM 47 N ASN A 4 -0.041 7.132 4.103 1.00 0.00 N ATOM 48 CA ASN A 4 -0.626 7.257 2.769 1.00 0.00 C ATOM 49 C ASN A 4 -1.724 6.213 2.568 1.00 0.00 C ATOM 50 O ASN A 4 -2.885 6.556 2.341 1.00 0.00 O ATOM 51 CB ASN A 4 0.454 7.087 1.693 1.00 0.00 C ATOM 52 CG ASN A 4 1.744 7.765 2.143 1.00 0.00 C ATOM 53 OD1 ASN A 4 2.804 7.138 2.156 1.00 0.00 O ATOM 54 ND2 ASN A 4 1.718 9.014 2.517 1.00 0.00 N ATOM 0 H ASN A 4 -0.304 7.876 4.749 1.00 0.00 H new ATOM 0 HA ASN A 4 -1.062 8.252 2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 4 0.634 6.028 1.510 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.114 7.520 0.752 1.00 0.00 H new ATOM 0 HD21 ASN A 4 2.577 9.473 2.821 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.839 9.532 2.506 1.00 0.00 H new ATOM 61 N LEU A 5 -1.348 4.942 2.658 1.00 0.00 N ATOM 62 CA LEU A 5 -2.304 3.853 2.486 1.00 0.00 C ATOM 63 C LEU A 5 -3.257 3.787 3.674 1.00 0.00 C ATOM 64 O LEU A 5 -4.405 3.364 3.538 1.00 0.00 O ATOM 65 CB LEU A 5 -1.560 2.519 2.334 1.00 0.00 C ATOM 66 CG LEU A 5 -0.623 2.273 3.551 1.00 0.00 C ATOM 67 CD1 LEU A 5 -1.283 1.308 4.547 1.00 0.00 C ATOM 68 CD2 LEU A 5 0.703 1.660 3.077 1.00 0.00 C ATOM 0 H LEU A 5 -0.392 4.641 2.848 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.886 4.041 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.278 1.703 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.976 2.525 1.414 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.437 3.230 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.615 1.146 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.221 1.736 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.482 0.356 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.353 1.491 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.507 0.711 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.191 2.342 2.381 1.00 0.00 H new ATOM 80 N VAL A 6 -2.771 4.199 4.841 1.00 0.00 N ATOM 81 CA VAL A 6 -3.588 4.172 6.051 1.00 0.00 C ATOM 82 C VAL A 6 -4.866 4.977 5.854 1.00 0.00 C ATOM 83 O VAL A 6 -5.953 4.520 6.205 1.00 0.00 O ATOM 84 CB VAL A 6 -2.796 4.750 7.229 1.00 0.00 C ATOM 85 CG1 VAL A 6 -1.614 3.834 7.550 1.00 0.00 C ATOM 86 CG2 VAL A 6 -2.280 6.151 6.868 1.00 0.00 C ATOM 0 H VAL A 6 -1.824 4.553 4.975 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.854 3.136 6.263 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.446 4.820 8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.051 4.246 8.388 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.983 2.843 7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.964 3.760 6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.717 6.559 7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.632 6.086 5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.124 6.804 6.646 1.00 0.00 H new ATOM 96 N VAL A 7 -4.735 6.174 5.295 1.00 0.00 N ATOM 97 CA VAL A 7 -5.895 7.024 5.065 1.00 0.00 C ATOM 98 C VAL A 7 -7.030 6.222 4.439 1.00 0.00 C ATOM 99 O VAL A 7 -8.203 6.529 4.639 1.00 0.00 O ATOM 100 CB VAL A 7 -5.519 8.186 4.144 1.00 0.00 C ATOM 101 CG1 VAL A 7 -6.674 9.189 4.085 1.00 0.00 C ATOM 102 CG2 VAL A 7 -4.266 8.879 4.685 1.00 0.00 C ATOM 0 H VAL A 7 -3.846 6.574 4.995 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.229 7.417 6.025 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.320 7.805 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.404 10.016 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.566 8.695 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.876 9.571 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.997 9.707 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.464 9.259 5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.443 8.165 4.724 1.00 0.00 H new ATOM 112 N LEU A 8 -6.675 5.193 3.673 1.00 0.00 N ATOM 113 CA LEU A 8 -7.679 4.351 3.022 1.00 0.00 C ATOM 114 C LEU A 8 -7.992 3.128 3.880 1.00 0.00 C ATOM 115 O LEU A 8 -9.149 2.881 4.226 1.00 0.00 O ATOM 116 CB LEU A 8 -7.169 3.898 1.647 1.00 0.00 C ATOM 117 CG LEU A 8 -8.305 3.228 0.849 1.00 0.00 C ATOM 118 CD1 LEU A 8 -9.283 4.284 0.303 1.00 0.00 C ATOM 119 CD2 LEU A 8 -7.703 2.446 -0.324 1.00 0.00 C ATOM 0 H LEU A 8 -5.709 4.923 3.488 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.591 4.935 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.783 4.755 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.341 3.200 1.771 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.849 2.556 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.077 3.790 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.717 4.841 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.748 4.970 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.502 1.970 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.154 3.128 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.025 1.683 0.057 1.00 0.00 H new ATOM 131 N ASN A 9 -6.960 2.354 4.208 1.00 0.00 N ATOM 132 CA ASN A 9 -7.149 1.151 5.011 1.00 0.00 C ATOM 133 C ASN A 9 -7.602 1.492 6.429 1.00 0.00 C ATOM 134 O ASN A 9 -8.637 1.007 6.890 1.00 0.00 O ATOM 135 CB ASN A 9 -5.839 0.362 5.076 1.00 0.00 C ATOM 136 CG ASN A 9 -6.078 -1.012 5.702 1.00 0.00 C ATOM 137 OD1 ASN A 9 -5.126 -1.678 6.113 1.00 0.00 O ATOM 138 ND2 ASN A 9 -7.293 -1.474 5.805 1.00 0.00 N ATOM 0 H ASN A 9 -5.995 2.536 3.933 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.926 0.551 4.537 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.426 0.246 4.074 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.103 0.913 5.662 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.457 -2.388 6.226 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.079 -0.921 5.464 1.00 0.00 H new ATOM 145 N ALA A 10 -6.827 2.324 7.118 1.00 0.00 N ATOM 146 CA ALA A 10 -7.168 2.707 8.485 1.00 0.00 C ATOM 147 C ALA A 10 -8.568 3.304 8.542 1.00 0.00 C ATOM 148 O ALA A 10 -9.413 2.856 9.312 1.00 0.00 O ATOM 149 CB ALA A 10 -6.155 3.727 9.006 1.00 0.00 C ATOM 0 H ALA A 10 -5.969 2.742 6.758 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.142 1.815 9.110 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.415 4.009 10.026 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.157 3.288 8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.170 4.612 8.370 1.00 0.00 H new ATOM 155 N ALA A 11 -8.808 4.322 7.724 1.00 0.00 N ATOM 156 CA ALA A 11 -10.112 4.971 7.702 1.00 0.00 C ATOM 157 C ALA A 11 -11.216 3.947 7.470 1.00 0.00 C ATOM 158 O ALA A 11 -12.270 4.004 8.104 1.00 0.00 O ATOM 159 CB ALA A 11 -10.151 6.017 6.590 1.00 0.00 C ATOM 0 H ALA A 11 -8.125 4.712 7.074 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.274 5.453 8.666 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.128 6.499 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.379 6.766 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.973 5.534 5.629 1.00 0.00 H new ATOM 165 N SER A 12 -10.966 3.008 6.566 1.00 0.00 N ATOM 166 CA SER A 12 -11.948 1.974 6.270 1.00 0.00 C ATOM 167 C SER A 12 -12.199 1.105 7.501 1.00 0.00 C ATOM 168 O SER A 12 -13.343 0.800 7.833 1.00 0.00 O ATOM 169 CB SER A 12 -11.458 1.100 5.115 1.00 0.00 C ATOM 170 OG SER A 12 -12.442 0.116 4.823 1.00 0.00 O ATOM 0 H SER A 12 -10.101 2.941 6.030 1.00 0.00 H new ATOM 0 HA SER A 12 -12.882 2.458 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.268 1.714 4.234 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.515 0.621 5.380 1.00 0.00 H new ATOM 0 HG SER A 12 -12.133 -0.446 4.082 1.00 0.00 H new ATOM 176 N VAL A 13 -11.120 0.702 8.167 1.00 0.00 N ATOM 177 CA VAL A 13 -11.240 -0.141 9.353 1.00 0.00 C ATOM 178 C VAL A 13 -11.741 0.661 10.552 1.00 0.00 C ATOM 179 O VAL A 13 -12.771 0.330 11.141 1.00 0.00 O ATOM 180 CB VAL A 13 -9.879 -0.754 9.686 1.00 0.00 C ATOM 181 CG1 VAL A 13 -9.996 -1.611 10.946 1.00 0.00 C ATOM 182 CG2 VAL A 13 -9.415 -1.625 8.517 1.00 0.00 C ATOM 0 H VAL A 13 -10.163 0.942 7.909 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.963 -0.928 9.139 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.155 0.042 9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.025 -2.047 11.181 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.327 -0.990 11.779 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.720 -2.408 10.778 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.445 -2.063 8.752 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.140 -2.420 8.346 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.329 -1.013 7.619 1.00 0.00 H new ATOM 192 N ALA A 14 -11.010 1.710 10.915 1.00 0.00 N ATOM 193 CA ALA A 14 -11.395 2.541 12.053 1.00 0.00 C ATOM 194 C ALA A 14 -12.743 3.208 11.808 1.00 0.00 C ATOM 195 O ALA A 14 -13.685 3.028 12.581 1.00 0.00 O ATOM 196 CB ALA A 14 -10.330 3.614 12.288 1.00 0.00 C ATOM 0 H ALA A 14 -10.155 2.004 10.443 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.479 1.903 12.933 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.619 4.233 13.137 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.372 3.137 12.496 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.239 4.238 11.399 1.00 0.00 H new ATOM 202 N GLY A 15 -12.829 3.979 10.727 1.00 0.00 N ATOM 203 CA GLY A 15 -14.067 4.679 10.379 1.00 0.00 C ATOM 204 C GLY A 15 -14.021 6.128 10.854 1.00 0.00 C ATOM 205 O GLY A 15 -14.589 7.016 10.219 1.00 0.00 O ATOM 0 H GLY A 15 -12.059 4.136 10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.216 4.650 9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.918 4.170 10.832 1.00 0.00 H new ATOM 209 N ALA A 16 -13.338 6.361 11.972 1.00 0.00 N ATOM 210 CA ALA A 16 -13.226 7.711 12.514 1.00 0.00 C ATOM 211 C ALA A 16 -12.342 8.570 11.617 1.00 0.00 C ATOM 212 O ALA A 16 -12.766 9.614 11.125 1.00 0.00 O ATOM 213 CB ALA A 16 -12.633 7.659 13.923 1.00 0.00 C ATOM 0 H ALA A 16 -12.859 5.642 12.514 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.221 8.153 12.557 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.552 8.670 14.321 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.280 7.065 14.568 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.643 7.204 13.885 1.00 0.00 H new ATOM 219 N HIS A 17 -11.108 8.128 11.413 1.00 0.00 N ATOM 220 CA HIS A 17 -10.168 8.867 10.577 1.00 0.00 C ATOM 221 C HIS A 17 -10.797 9.210 9.227 1.00 0.00 C ATOM 222 O HIS A 17 -10.222 9.961 8.439 1.00 0.00 O ATOM 223 CB HIS A 17 -8.902 8.037 10.356 1.00 0.00 C ATOM 224 CG HIS A 17 -8.192 7.849 11.668 1.00 0.00 C ATOM 225 ND1 HIS A 17 -8.498 6.805 12.527 1.00 0.00 N ATOM 226 CD2 HIS A 17 -7.192 8.560 12.284 1.00 0.00 C ATOM 227 CE1 HIS A 17 -7.697 6.916 13.603 1.00 0.00 C ATOM 228 NE2 HIS A 17 -6.881 7.969 13.504 1.00 0.00 N ATOM 0 H HIS A 17 -10.735 7.267 11.812 1.00 0.00 H new ATOM 0 HA HIS A 17 -9.911 9.795 11.089 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -9.159 7.068 9.927 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.246 8.537 9.643 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.719 9.444 11.882 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.712 6.237 14.443 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.180 8.274 14.179 1.00 0.00 H new ATOM 236 N GLY A 18 -11.981 8.661 8.969 1.00 0.00 N ATOM 237 CA GLY A 18 -12.673 8.926 7.712 1.00 0.00 C ATOM 238 C GLY A 18 -13.091 10.390 7.617 1.00 0.00 C ATOM 239 O GLY A 18 -12.700 11.094 6.689 1.00 0.00 O ATOM 0 H GLY A 18 -12.476 8.037 9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.022 8.675 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -13.553 8.287 7.635 1.00 0.00 H new ATOM 243 N ILE A 19 -13.882 10.844 8.585 1.00 0.00 N ATOM 244 CA ILE A 19 -14.345 12.229 8.590 1.00 0.00 C ATOM 245 C ILE A 19 -13.160 13.186 8.545 1.00 0.00 C ATOM 246 O ILE A 19 -13.292 14.323 8.094 1.00 0.00 O ATOM 247 CB ILE A 19 -15.191 12.502 9.847 1.00 0.00 C ATOM 248 CG1 ILE A 19 -14.554 11.802 11.056 1.00 0.00 C ATOM 249 CG2 ILE A 19 -16.615 11.975 9.642 1.00 0.00 C ATOM 250 CD1 ILE A 19 -15.083 12.421 12.352 1.00 0.00 C ATOM 0 H ILE A 19 -14.213 10.281 9.368 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.961 12.391 7.705 1.00 0.00 H new ATOM 0 HB ILE A 19 -15.229 13.577 10.026 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -14.781 10.736 11.032 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.469 11.898 11.013 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -17.208 12.172 10.535 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -17.069 12.477 8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.583 10.901 9.457 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.628 11.920 13.207 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.833 13.482 12.377 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -16.166 12.302 12.396 1.00 0.00 H new ATOM 262 N LEU A 20 -12.002 12.719 8.995 1.00 0.00 N ATOM 263 CA LEU A 20 -10.804 13.548 8.977 1.00 0.00 C ATOM 264 C LEU A 20 -10.305 13.698 7.538 1.00 0.00 C ATOM 265 O LEU A 20 -9.884 14.778 7.126 1.00 0.00 O ATOM 266 CB LEU A 20 -9.711 12.919 9.880 1.00 0.00 C ATOM 267 CG LEU A 20 -9.579 13.684 11.216 1.00 0.00 C ATOM 268 CD1 LEU A 20 -9.144 15.149 10.964 1.00 0.00 C ATOM 269 CD2 LEU A 20 -10.922 13.645 11.971 1.00 0.00 C ATOM 0 H LEU A 20 -11.867 11.781 9.373 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.039 14.538 9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.956 11.876 10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.755 12.928 9.357 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.814 13.202 11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.056 15.672 11.917 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.181 15.160 10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.888 15.648 10.344 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.826 14.185 12.913 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.696 14.113 11.362 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.196 12.609 12.173 1.00 0.00 H new ATOM 281 N SER A 21 -10.356 12.607 6.781 1.00 0.00 N ATOM 282 CA SER A 21 -9.913 12.634 5.392 1.00 0.00 C ATOM 283 C SER A 21 -10.807 13.550 4.560 1.00 0.00 C ATOM 284 O SER A 21 -10.322 14.331 3.742 1.00 0.00 O ATOM 285 CB SER A 21 -9.928 11.222 4.805 1.00 0.00 C ATOM 286 OG SER A 21 -9.150 11.201 3.617 1.00 0.00 O ATOM 0 H SER A 21 -10.696 11.701 7.102 1.00 0.00 H new ATOM 0 HA SER A 21 -8.894 13.021 5.365 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.529 10.511 5.528 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.952 10.916 4.589 1.00 0.00 H new ATOM 0 HG SER A 21 -9.156 10.297 3.238 1.00 0.00 H new ATOM 292 N PHE A 22 -12.116 13.443 4.778 1.00 0.00 N ATOM 293 CA PHE A 22 -13.077 14.265 4.046 1.00 0.00 C ATOM 294 C PHE A 22 -13.146 15.675 4.628 1.00 0.00 C ATOM 295 O PHE A 22 -13.630 16.598 3.973 1.00 0.00 O ATOM 296 CB PHE A 22 -14.468 13.621 4.086 1.00 0.00 C ATOM 297 CG PHE A 22 -14.497 12.404 3.187 1.00 0.00 C ATOM 298 CD1 PHE A 22 -14.809 12.543 1.830 1.00 0.00 C ATOM 299 CD2 PHE A 22 -14.214 11.140 3.716 1.00 0.00 C ATOM 300 CE1 PHE A 22 -14.837 11.415 1.001 1.00 0.00 C ATOM 301 CE2 PHE A 22 -14.241 10.011 2.886 1.00 0.00 C ATOM 302 CZ PHE A 22 -14.554 10.150 1.528 1.00 0.00 C ATOM 0 H PHE A 22 -12.533 12.800 5.451 1.00 0.00 H new ATOM 0 HA PHE A 22 -12.741 14.332 3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -14.717 13.335 5.108 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -15.221 14.340 3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -15.028 13.519 1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -13.975 11.034 4.764 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.077 11.521 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.021 9.035 3.293 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.577 9.281 0.887 1.00 0.00 H new ATOM 312 N LEU A 23 -12.666 15.839 5.859 1.00 0.00 N ATOM 313 CA LEU A 23 -12.691 17.148 6.504 1.00 0.00 C ATOM 314 C LEU A 23 -12.131 18.200 5.558 1.00 0.00 C ATOM 315 O LEU A 23 -12.581 19.346 5.549 1.00 0.00 O ATOM 316 CB LEU A 23 -11.854 17.124 7.792 1.00 0.00 C ATOM 317 CG LEU A 23 -11.882 18.499 8.483 1.00 0.00 C ATOM 318 CD1 LEU A 23 -13.330 18.895 8.831 1.00 0.00 C ATOM 319 CD2 LEU A 23 -11.044 18.429 9.764 1.00 0.00 C ATOM 0 H LEU A 23 -12.260 15.092 6.423 1.00 0.00 H new ATOM 0 HA LEU A 23 -13.723 17.393 6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.241 16.363 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.825 16.849 7.558 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.470 19.250 7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.333 19.870 9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.923 18.944 7.918 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.759 18.151 9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.058 19.399 10.261 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.461 17.674 10.430 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.017 18.164 9.513 1.00 0.00 H new ATOM 331 N VAL A 24 -11.155 17.795 4.754 1.00 0.00 N ATOM 332 CA VAL A 24 -10.550 18.702 3.788 1.00 0.00 C ATOM 333 C VAL A 24 -11.469 18.856 2.583 1.00 0.00 C ATOM 334 O VAL A 24 -11.578 19.936 2.004 1.00 0.00 O ATOM 335 CB VAL A 24 -9.184 18.178 3.341 1.00 0.00 C ATOM 336 CG1 VAL A 24 -8.518 19.217 2.438 1.00 0.00 C ATOM 337 CG2 VAL A 24 -8.307 17.931 4.569 1.00 0.00 C ATOM 0 H VAL A 24 -10.768 16.851 4.752 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.409 19.674 4.261 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.310 17.244 2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.544 18.849 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.145 19.395 1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.390 20.149 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.333 17.558 4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.177 18.864 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.785 17.195 5.215 1.00 0.00 H new ATOM 347 N PHE A 25 -12.126 17.760 2.214 1.00 0.00 N ATOM 348 CA PHE A 25 -13.038 17.775 1.078 1.00 0.00 C ATOM 349 C PHE A 25 -14.173 18.762 1.328 1.00 0.00 C ATOM 350 O PHE A 25 -14.500 19.578 0.467 1.00 0.00 O ATOM 351 CB PHE A 25 -13.615 16.378 0.844 1.00 0.00 C ATOM 352 CG PHE A 25 -14.465 16.392 -0.403 1.00 0.00 C ATOM 353 CD1 PHE A 25 -13.863 16.255 -1.660 1.00 0.00 C ATOM 354 CD2 PHE A 25 -15.854 16.545 -0.305 1.00 0.00 C ATOM 355 CE1 PHE A 25 -14.651 16.270 -2.818 1.00 0.00 C ATOM 356 CE2 PHE A 25 -16.640 16.560 -1.463 1.00 0.00 C ATOM 357 CZ PHE A 25 -16.038 16.423 -2.719 1.00 0.00 C ATOM 0 H PHE A 25 -12.044 16.857 2.682 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.483 18.085 0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.809 15.652 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -14.213 16.070 1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -12.792 16.138 -1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -16.318 16.651 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -14.188 16.163 -3.788 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -17.711 16.677 -1.387 1.00 0.00 H new ATOM 0 HZ PHE A 25 -16.645 16.435 -3.612 1.00 0.00 H new ATOM 367 N PHE A 26 -14.765 18.684 2.520 1.00 0.00 N ATOM 368 CA PHE A 26 -15.859 19.577 2.880 1.00 0.00 C ATOM 369 C PHE A 26 -15.405 21.029 2.818 1.00 0.00 C ATOM 370 O PHE A 26 -16.213 21.932 2.598 1.00 0.00 O ATOM 371 CB PHE A 26 -16.375 19.261 4.285 1.00 0.00 C ATOM 372 CG PHE A 26 -17.130 17.952 4.270 1.00 0.00 C ATOM 373 CD1 PHE A 26 -18.382 17.884 3.649 1.00 0.00 C ATOM 374 CD2 PHE A 26 -16.586 16.812 4.876 1.00 0.00 C ATOM 375 CE1 PHE A 26 -19.092 16.675 3.633 1.00 0.00 C ATOM 376 CE2 PHE A 26 -17.293 15.606 4.859 1.00 0.00 C ATOM 377 CZ PHE A 26 -18.546 15.536 4.239 1.00 0.00 C ATOM 0 H PHE A 26 -14.506 18.016 3.246 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.667 19.425 2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -15.541 19.202 4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.026 20.063 4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -18.802 18.763 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.620 16.865 5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.059 16.622 3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.872 14.727 5.325 1.00 0.00 H new ATOM 0 HZ PHE A 26 -19.092 14.604 4.228 1.00 0.00 H new ATOM 387 N SER A 27 -14.110 21.249 3.013 1.00 0.00 N ATOM 388 CA SER A 27 -13.569 22.600 2.978 1.00 0.00 C ATOM 389 C SER A 27 -14.014 23.308 1.704 1.00 0.00 C ATOM 390 O SER A 27 -14.389 24.479 1.734 1.00 0.00 O ATOM 391 CB SER A 27 -12.040 22.551 3.033 1.00 0.00 C ATOM 392 OG SER A 27 -11.541 23.824 3.426 1.00 0.00 O ATOM 0 H SER A 27 -13.423 20.518 3.195 1.00 0.00 H new ATOM 0 HA SER A 27 -13.942 23.151 3.841 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.715 21.787 3.739 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.638 22.276 2.058 1.00 0.00 H new ATOM 0 HG SER A 27 -10.562 23.794 3.463 1.00 0.00 H new ATOM 398 N ALA A 28 -13.980 22.585 0.591 1.00 0.00 N ATOM 399 CA ALA A 28 -14.397 23.150 -0.684 1.00 0.00 C ATOM 400 C ALA A 28 -15.920 23.206 -0.768 1.00 0.00 C ATOM 401 O ALA A 28 -16.487 24.148 -1.317 1.00 0.00 O ATOM 402 CB ALA A 28 -13.848 22.311 -1.839 1.00 0.00 C ATOM 0 H ALA A 28 -13.670 21.614 0.546 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.001 24.163 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.167 22.744 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.759 22.298 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.226 21.292 -1.760 1.00 0.00 H new ATOM 408 N ALA A 29 -16.578 22.181 -0.235 1.00 0.00 N ATOM 409 CA ALA A 29 -18.035 22.125 -0.271 1.00 0.00 C ATOM 410 C ALA A 29 -18.648 23.332 0.432 1.00 0.00 C ATOM 411 O ALA A 29 -19.464 24.042 -0.149 1.00 0.00 O ATOM 412 CB ALA A 29 -18.520 20.842 0.409 1.00 0.00 C ATOM 0 H ALA A 29 -16.131 21.386 0.222 1.00 0.00 H new ATOM 0 HA ALA A 29 -18.350 22.134 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -19.609 20.804 0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -18.113 19.977 -0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.184 20.830 1.446 1.00 0.00 H new ATOM 418 N TRP A 30 -18.252 23.559 1.679 1.00 0.00 N ATOM 419 CA TRP A 30 -18.777 24.686 2.451 1.00 0.00 C ATOM 420 C TRP A 30 -18.527 26.008 1.727 1.00 0.00 C ATOM 421 O TRP A 30 -19.234 26.991 1.951 1.00 0.00 O ATOM 422 CB TRP A 30 -18.139 24.724 3.846 1.00 0.00 C ATOM 423 CG TRP A 30 -18.641 23.582 4.687 1.00 0.00 C ATOM 424 CD1 TRP A 30 -19.937 23.230 4.839 1.00 0.00 C ATOM 425 CD2 TRP A 30 -17.862 22.644 5.484 1.00 0.00 C ATOM 426 NE1 TRP A 30 -20.005 22.133 5.680 1.00 0.00 N ATOM 427 CE2 TRP A 30 -18.752 21.734 6.103 1.00 0.00 C ATOM 428 CE3 TRP A 30 -16.485 22.493 5.726 1.00 0.00 C ATOM 429 CZ2 TRP A 30 -18.292 20.711 6.935 1.00 0.00 C ATOM 430 CZ3 TRP A 30 -16.019 21.465 6.563 1.00 0.00 C ATOM 431 CH2 TRP A 30 -16.921 20.577 7.165 1.00 0.00 C ATOM 0 H TRP A 30 -17.573 22.983 2.177 1.00 0.00 H new ATOM 0 HA TRP A 30 -19.853 24.548 2.557 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -17.054 24.669 3.758 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -18.371 25.671 4.333 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -20.781 23.724 4.380 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -20.874 21.675 5.954 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -15.782 23.171 5.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -18.991 20.029 7.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -14.960 21.358 6.744 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -16.556 19.789 7.807 1.00 0.00 H new ATOM 442 N TYR A 31 -17.524 26.022 0.862 1.00 0.00 N ATOM 443 CA TYR A 31 -17.193 27.228 0.108 1.00 0.00 C ATOM 444 C TYR A 31 -18.236 27.489 -0.978 1.00 0.00 C ATOM 445 O TYR A 31 -18.287 28.577 -1.553 1.00 0.00 O ATOM 446 CB TYR A 31 -15.808 27.093 -0.530 1.00 0.00 C ATOM 447 CG TYR A 31 -15.370 28.433 -1.070 1.00 0.00 C ATOM 448 CD1 TYR A 31 -15.733 28.821 -2.365 1.00 0.00 C ATOM 449 CD2 TYR A 31 -14.596 29.287 -0.274 1.00 0.00 C ATOM 450 CE1 TYR A 31 -15.325 30.064 -2.864 1.00 0.00 C ATOM 451 CE2 TYR A 31 -14.187 30.528 -0.774 1.00 0.00 C ATOM 452 CZ TYR A 31 -14.552 30.917 -2.069 1.00 0.00 C ATOM 453 OH TYR A 31 -14.148 32.141 -2.561 1.00 0.00 O ATOM 0 H TYR A 31 -16.927 25.219 0.663 1.00 0.00 H new ATOM 0 HA TYR A 31 -17.188 28.070 0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -15.090 26.734 0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.836 26.357 -1.333 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -16.328 28.161 -2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -14.315 28.988 0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -15.607 30.364 -3.862 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -13.589 31.186 -0.161 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.620 32.609 -1.881 1.00 0.00 H new ATOM 463 N ILE A 32 -19.053 26.478 -1.272 1.00 0.00 N ATOM 464 CA ILE A 32 -20.072 26.611 -2.312 1.00 0.00 C ATOM 465 C ILE A 32 -21.083 27.704 -1.960 1.00 0.00 C ATOM 466 O ILE A 32 -21.456 28.514 -2.809 1.00 0.00 O ATOM 467 CB ILE A 32 -20.807 25.271 -2.500 1.00 0.00 C ATOM 468 CG1 ILE A 32 -21.565 25.278 -3.834 1.00 0.00 C ATOM 469 CG2 ILE A 32 -21.811 25.046 -1.358 1.00 0.00 C ATOM 470 CD1 ILE A 32 -22.139 23.883 -4.101 1.00 0.00 C ATOM 0 H ILE A 32 -19.030 25.568 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 32 -19.572 26.890 -3.240 1.00 0.00 H new ATOM 0 HB ILE A 32 -20.069 24.469 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -22.368 26.014 -3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -20.896 25.569 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -22.322 24.095 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -21.281 25.029 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -22.542 25.854 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -22.678 23.887 -5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -21.326 23.158 -4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -22.822 23.610 -3.296 1.00 0.00 H new ATOM 482 N LYS A 33 -21.535 27.714 -0.709 1.00 0.00 N ATOM 483 CA LYS A 33 -22.511 28.707 -0.274 1.00 0.00 C ATOM 484 C LYS A 33 -21.863 30.089 -0.190 1.00 0.00 C ATOM 485 O LYS A 33 -22.319 31.038 -0.827 1.00 0.00 O ATOM 486 CB LYS A 33 -23.103 28.291 1.098 1.00 0.00 C ATOM 487 CG LYS A 33 -24.640 28.383 1.084 1.00 0.00 C ATOM 488 CD LYS A 33 -25.232 27.143 0.404 1.00 0.00 C ATOM 489 CE LYS A 33 -26.726 27.356 0.163 1.00 0.00 C ATOM 490 NZ LYS A 33 -27.441 27.420 1.470 1.00 0.00 N ATOM 0 H LYS A 33 -21.245 27.054 0.013 1.00 0.00 H new ATOM 0 HA LYS A 33 -23.320 28.758 -1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -22.798 27.272 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -22.703 28.935 1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -25.017 28.464 2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -24.954 29.283 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -24.723 26.957 -0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -25.076 26.263 1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -26.886 28.278 -0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -27.126 26.543 -0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -28.468 27.411 1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -27.177 26.599 2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -27.178 28.295 1.967 1.00 0.00 H new ATOM 504 N GLY A 34 -20.798 30.195 0.603 1.00 0.00 N ATOM 505 CA GLY A 34 -20.091 31.466 0.774 1.00 0.00 C ATOM 506 C GLY A 34 -20.176 31.934 2.222 1.00 0.00 C ATOM 507 O GLY A 34 -20.066 33.127 2.504 1.00 0.00 O ATOM 0 H GLY A 34 -20.406 29.419 1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.047 31.350 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -20.523 32.220 0.116 1.00 0.00 H new ATOM 511 N ARG A 35 -20.372 30.988 3.138 1.00 0.00 N ATOM 512 CA ARG A 35 -20.466 31.317 4.555 1.00 0.00 C ATOM 513 C ARG A 35 -19.074 31.502 5.148 1.00 0.00 C ATOM 514 O ARG A 35 -18.680 30.783 6.065 1.00 0.00 O ATOM 515 CB ARG A 35 -21.191 30.197 5.307 1.00 0.00 C ATOM 516 CG ARG A 35 -20.642 28.842 4.853 1.00 0.00 C ATOM 517 CD ARG A 35 -21.148 27.742 5.787 1.00 0.00 C ATOM 518 NE ARG A 35 -20.556 27.900 7.110 1.00 0.00 N ATOM 519 CZ ARG A 35 -20.819 27.043 8.091 1.00 0.00 C ATOM 520 NH1 ARG A 35 -21.622 26.034 7.879 1.00 0.00 N ATOM 521 NH2 ARG A 35 -20.275 27.208 9.266 1.00 0.00 N ATOM 0 H ARG A 35 -20.468 29.995 2.925 1.00 0.00 H new ATOM 0 HA ARG A 35 -21.027 32.246 4.657 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -21.052 30.316 6.382 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -22.263 30.250 5.116 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -20.955 28.636 3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.552 28.861 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -22.235 27.785 5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -20.894 26.763 5.380 1.00 0.00 H new ATOM 0 HE ARG A 35 -19.928 28.684 7.286 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -22.047 25.904 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -21.824 25.376 8.632 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.648 27.995 9.432 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -20.477 26.550 10.019 1.00 0.00 H new ATOM 535 N LEU A 36 -18.335 32.475 4.621 1.00 0.00 N ATOM 536 CA LEU A 36 -16.984 32.759 5.104 1.00 0.00 C ATOM 537 C LEU A 36 -16.795 34.258 5.290 1.00 0.00 C ATOM 538 O LEU A 36 -17.002 35.040 4.363 1.00 0.00 O ATOM 539 CB LEU A 36 -15.954 32.229 4.101 1.00 0.00 C ATOM 540 CG LEU A 36 -15.976 30.692 4.084 1.00 0.00 C ATOM 541 CD1 LEU A 36 -15.209 30.192 2.855 1.00 0.00 C ATOM 542 CD2 LEU A 36 -15.319 30.128 5.362 1.00 0.00 C ATOM 0 H LEU A 36 -18.647 33.080 3.861 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.842 32.264 6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -16.173 32.615 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -14.959 32.583 4.369 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.011 30.353 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.221 29.102 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.682 30.575 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.178 30.543 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.343 29.039 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.284 30.467 5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -15.865 30.480 6.237 1.00 0.00 H new ATOM 554 N ALA A 37 -16.397 34.650 6.493 1.00 0.00 N ATOM 555 CA ALA A 37 -16.179 36.060 6.788 1.00 0.00 C ATOM 556 C ALA A 37 -15.365 36.211 8.078 1.00 0.00 C ATOM 557 O ALA A 37 -15.180 35.244 8.817 1.00 0.00 O ATOM 558 CB ALA A 37 -17.540 36.782 6.910 1.00 0.00 C ATOM 0 H ALA A 37 -16.220 34.018 7.274 1.00 0.00 H new ATOM 0 HA ALA A 37 -15.614 36.515 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.374 37.836 7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -18.086 36.689 5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -18.121 36.330 7.714 1.00 0.00 H new ATOM 564 N PRO A 38 -14.885 37.396 8.364 1.00 0.00 N ATOM 565 CA PRO A 38 -14.087 37.651 9.598 1.00 0.00 C ATOM 566 C PRO A 38 -14.751 37.062 10.844 1.00 0.00 C ATOM 567 O PRO A 38 -15.746 37.593 11.335 1.00 0.00 O ATOM 568 CB PRO A 38 -14.027 39.185 9.678 1.00 0.00 C ATOM 569 CG PRO A 38 -14.183 39.659 8.267 1.00 0.00 C ATOM 570 CD PRO A 38 -15.046 38.613 7.548 1.00 0.00 C ATOM 0 HA PRO A 38 -13.103 37.184 9.557 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.820 39.577 10.315 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.081 39.520 10.104 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.658 40.640 8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.212 39.760 7.782 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -16.089 38.924 7.496 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.710 38.454 6.523 1.00 0.00 H new ATOM 578 N GLY A 39 -14.188 35.965 11.354 1.00 0.00 N ATOM 579 CA GLY A 39 -14.728 35.314 12.552 1.00 0.00 C ATOM 580 C GLY A 39 -14.827 33.802 12.364 1.00 0.00 C ATOM 581 O GLY A 39 -14.394 33.033 13.223 1.00 0.00 O ATOM 0 H GLY A 39 -13.364 35.510 10.961 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.090 35.535 13.408 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.714 35.720 12.776 1.00 0.00 H new ATOM 585 N ALA A 40 -15.404 33.379 11.242 1.00 0.00 N ATOM 586 CA ALA A 40 -15.553 31.953 10.962 1.00 0.00 C ATOM 587 C ALA A 40 -14.217 31.339 10.558 1.00 0.00 C ATOM 588 O ALA A 40 -13.715 30.431 11.219 1.00 0.00 O ATOM 589 CB ALA A 40 -16.574 31.746 9.841 1.00 0.00 C ATOM 0 H ALA A 40 -15.773 33.996 10.518 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.903 31.460 11.869 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.680 30.680 9.638 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.537 32.155 10.146 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.233 32.255 8.940 1.00 0.00 H new ATOM 595 N ALA A 41 -13.651 31.840 9.467 1.00 0.00 N ATOM 596 CA ALA A 41 -12.373 31.335 8.976 1.00 0.00 C ATOM 597 C ALA A 41 -11.254 31.671 9.955 1.00 0.00 C ATOM 598 O ALA A 41 -10.117 31.237 9.785 1.00 0.00 O ATOM 599 CB ALA A 41 -12.060 31.946 7.609 1.00 0.00 C ATOM 0 H ALA A 41 -14.053 32.592 8.907 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.444 30.251 8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.104 31.564 7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.846 31.679 6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.006 33.031 7.699 1.00 0.00 H new ATOM 605 N TYR A 42 -11.586 32.439 10.983 1.00 0.00 N ATOM 606 CA TYR A 42 -10.598 32.818 11.987 1.00 0.00 C ATOM 607 C TYR A 42 -10.267 31.616 12.872 1.00 0.00 C ATOM 608 O TYR A 42 -9.124 31.161 12.913 1.00 0.00 O ATOM 609 CB TYR A 42 -11.135 33.984 12.842 1.00 0.00 C ATOM 610 CG TYR A 42 -10.785 35.312 12.194 1.00 0.00 C ATOM 611 CD1 TYR A 42 -10.979 35.495 10.820 1.00 0.00 C ATOM 612 CD2 TYR A 42 -10.261 36.352 12.971 1.00 0.00 C ATOM 613 CE1 TYR A 42 -10.651 36.718 10.223 1.00 0.00 C ATOM 614 CE2 TYR A 42 -9.932 37.574 12.375 1.00 0.00 C ATOM 615 CZ TYR A 42 -10.126 37.758 11.001 1.00 0.00 C ATOM 616 OH TYR A 42 -9.802 38.963 10.412 1.00 0.00 O ATOM 0 H TYR A 42 -12.522 32.810 11.145 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.687 33.145 11.486 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -12.216 33.897 12.951 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -10.709 33.936 13.844 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.382 34.692 10.220 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.111 36.211 14.031 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -10.803 36.860 9.163 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.528 38.376 12.975 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.452 39.576 11.092 1.00 0.00 H new ATOM 626 N ALA A 43 -11.272 31.114 13.583 1.00 0.00 N ATOM 627 CA ALA A 43 -11.072 29.973 14.470 1.00 0.00 C ATOM 628 C ALA A 43 -10.623 28.740 13.690 1.00 0.00 C ATOM 629 O ALA A 43 -9.766 27.987 14.152 1.00 0.00 O ATOM 630 CB ALA A 43 -12.370 29.657 15.214 1.00 0.00 C ATOM 0 H ALA A 43 -12.226 31.476 13.563 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.291 30.235 15.184 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.213 28.804 15.874 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.671 30.522 15.805 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.153 29.419 14.494 1.00 0.00 H new ATOM 636 N PHE A 44 -11.201 28.534 12.510 1.00 0.00 N ATOM 637 CA PHE A 44 -10.840 27.380 11.692 1.00 0.00 C ATOM 638 C PHE A 44 -9.370 27.460 11.279 1.00 0.00 C ATOM 639 O PHE A 44 -8.505 26.859 11.916 1.00 0.00 O ATOM 640 CB PHE A 44 -11.745 27.333 10.437 1.00 0.00 C ATOM 641 CG PHE A 44 -12.947 26.439 10.685 1.00 0.00 C ATOM 642 CD1 PHE A 44 -13.867 26.767 11.687 1.00 0.00 C ATOM 643 CD2 PHE A 44 -13.137 25.288 9.910 1.00 0.00 C ATOM 644 CE1 PHE A 44 -14.975 25.942 11.917 1.00 0.00 C ATOM 645 CE2 PHE A 44 -14.246 24.464 10.139 1.00 0.00 C ATOM 646 CZ PHE A 44 -15.165 24.792 11.144 1.00 0.00 C ATOM 0 H PHE A 44 -11.912 29.142 12.103 1.00 0.00 H new ATOM 0 HA PHE A 44 -10.985 26.470 12.275 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -12.078 28.339 10.183 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.177 26.961 9.585 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -13.723 27.656 12.283 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.428 25.036 9.135 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.684 26.194 12.692 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.393 23.576 9.541 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.020 24.157 11.322 1.00 0.00 H new ATOM 656 N TYR A 45 -9.095 28.210 10.217 1.00 0.00 N ATOM 657 CA TYR A 45 -7.726 28.356 9.737 1.00 0.00 C ATOM 658 C TYR A 45 -6.807 28.818 10.862 1.00 0.00 C ATOM 659 O TYR A 45 -5.587 28.841 10.705 1.00 0.00 O ATOM 660 CB TYR A 45 -7.673 29.364 8.585 1.00 0.00 C ATOM 661 CG TYR A 45 -8.321 28.766 7.360 1.00 0.00 C ATOM 662 CD1 TYR A 45 -9.707 28.854 7.184 1.00 0.00 C ATOM 663 CD2 TYR A 45 -7.533 28.122 6.399 1.00 0.00 C ATOM 664 CE1 TYR A 45 -10.305 28.298 6.046 1.00 0.00 C ATOM 665 CE2 TYR A 45 -8.131 27.566 5.261 1.00 0.00 C ATOM 666 CZ TYR A 45 -9.517 27.654 5.086 1.00 0.00 C ATOM 667 OH TYR A 45 -10.107 27.106 3.965 1.00 0.00 O ATOM 0 H TYR A 45 -9.794 28.721 9.677 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.386 27.384 9.381 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.186 30.283 8.868 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.638 29.630 8.368 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.315 29.351 7.926 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.464 28.054 6.535 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.374 28.366 5.910 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.523 27.070 4.519 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.419 26.698 3.399 1.00 0.00 H new ATOM 677 N GLY A 46 -7.397 29.179 11.998 1.00 0.00 N ATOM 678 CA GLY A 46 -6.606 29.630 13.136 1.00 0.00 C ATOM 679 C GLY A 46 -5.746 28.493 13.677 1.00 0.00 C ATOM 680 O GLY A 46 -4.534 28.641 13.831 1.00 0.00 O ATOM 0 H GLY A 46 -8.405 29.168 12.153 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.970 30.463 12.836 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.266 29.999 13.921 1.00 0.00 H new ATOM 684 N VAL A 47 -6.379 27.353 13.967 1.00 0.00 N ATOM 685 CA VAL A 47 -5.661 26.189 14.493 1.00 0.00 C ATOM 686 C VAL A 47 -6.116 24.914 13.792 1.00 0.00 C ATOM 687 O VAL A 47 -5.775 23.807 14.210 1.00 0.00 O ATOM 688 CB VAL A 47 -5.890 26.072 16.001 1.00 0.00 C ATOM 689 CG1 VAL A 47 -5.270 27.283 16.698 1.00 0.00 C ATOM 690 CG2 VAL A 47 -7.393 26.030 16.294 1.00 0.00 C ATOM 0 H VAL A 47 -7.382 27.211 13.847 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.596 26.323 14.303 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.427 25.157 16.369 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.430 27.205 17.773 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.200 27.313 16.492 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.737 28.195 16.327 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.552 25.947 17.369 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.861 26.944 15.928 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.837 25.169 15.794 1.00 0.00 H new ATOM 700 N TRP A 48 -6.873 25.077 12.711 1.00 0.00 N ATOM 701 CA TRP A 48 -7.348 23.937 11.936 1.00 0.00 C ATOM 702 C TRP A 48 -6.168 23.138 11.353 1.00 0.00 C ATOM 703 O TRP A 48 -6.110 21.921 11.527 1.00 0.00 O ATOM 704 CB TRP A 48 -8.286 24.412 10.811 1.00 0.00 C ATOM 705 CG TRP A 48 -8.494 23.303 9.821 1.00 0.00 C ATOM 706 CD1 TRP A 48 -8.773 22.019 10.141 1.00 0.00 C ATOM 707 CD2 TRP A 48 -8.420 23.355 8.367 1.00 0.00 C ATOM 708 NE1 TRP A 48 -8.875 21.280 8.977 1.00 0.00 N ATOM 709 CE2 TRP A 48 -8.665 22.058 7.856 1.00 0.00 C ATOM 710 CE3 TRP A 48 -8.166 24.391 7.450 1.00 0.00 C ATOM 711 CZ2 TRP A 48 -8.659 21.798 6.485 1.00 0.00 C ATOM 712 CZ3 TRP A 48 -8.159 24.133 6.068 1.00 0.00 C ATOM 713 CH2 TRP A 48 -8.406 22.839 5.588 1.00 0.00 C ATOM 0 H TRP A 48 -7.170 25.985 12.353 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.905 23.278 12.602 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -9.243 24.722 11.230 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.859 25.282 10.312 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.896 21.634 11.142 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -9.080 20.281 8.950 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.975 25.391 7.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.849 20.799 6.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -7.962 24.936 5.373 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -8.401 22.647 4.525 1.00 0.00 H new ATOM 724 N PRO A 49 -5.231 23.768 10.665 1.00 0.00 N ATOM 725 CA PRO A 49 -4.066 23.041 10.070 1.00 0.00 C ATOM 726 C PRO A 49 -3.342 22.167 11.096 1.00 0.00 C ATOM 727 O PRO A 49 -2.573 21.280 10.728 1.00 0.00 O ATOM 728 CB PRO A 49 -3.149 24.170 9.540 1.00 0.00 C ATOM 729 CG PRO A 49 -3.665 25.425 10.173 1.00 0.00 C ATOM 730 CD PRO A 49 -5.161 25.208 10.359 1.00 0.00 C ATOM 0 HA PRO A 49 -4.375 22.347 9.288 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.108 23.992 9.811 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.189 24.232 8.453 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.175 25.612 11.128 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.471 26.291 9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.563 25.816 11.169 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.724 25.461 9.461 1.00 0.00 H new ATOM 738 N LEU A 50 -3.596 22.414 12.379 1.00 0.00 N ATOM 739 CA LEU A 50 -2.966 21.624 13.432 1.00 0.00 C ATOM 740 C LEU A 50 -3.636 20.257 13.534 1.00 0.00 C ATOM 741 O LEU A 50 -2.992 19.258 13.855 1.00 0.00 O ATOM 742 CB LEU A 50 -3.065 22.353 14.777 1.00 0.00 C ATOM 743 CG LEU A 50 -2.256 21.602 15.848 1.00 0.00 C ATOM 744 CD1 LEU A 50 -0.753 21.621 15.498 1.00 0.00 C ATOM 745 CD2 LEU A 50 -2.483 22.272 17.208 1.00 0.00 C ATOM 0 H LEU A 50 -4.225 23.145 12.711 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.914 21.488 13.182 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.690 23.372 14.675 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.108 22.426 15.084 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.588 20.564 15.888 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.194 21.086 16.265 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.598 21.138 14.533 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.404 22.652 15.448 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.913 21.745 17.973 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.155 23.310 17.161 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.543 22.238 17.458 1.00 0.00 H new ATOM 757 N LEU A 51 -4.939 20.228 13.272 1.00 0.00 N ATOM 758 CA LEU A 51 -5.702 18.989 13.348 1.00 0.00 C ATOM 759 C LEU A 51 -5.463 18.138 12.107 1.00 0.00 C ATOM 760 O LEU A 51 -6.036 17.059 11.962 1.00 0.00 O ATOM 761 CB LEU A 51 -7.197 19.303 13.457 1.00 0.00 C ATOM 762 CG LEU A 51 -7.452 20.231 14.650 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.946 20.566 14.714 1.00 0.00 C ATOM 764 CD2 LEU A 51 -7.017 19.546 15.957 1.00 0.00 C ATOM 0 H LEU A 51 -5.486 21.046 13.006 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.374 18.438 14.230 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.546 19.774 12.538 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.763 18.379 13.577 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.874 21.146 14.526 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.135 21.226 15.561 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.247 21.063 13.792 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.520 19.647 14.835 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.203 20.215 16.798 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.586 18.626 16.092 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.954 19.311 15.908 1.00 0.00 H new ATOM 776 N LEU A 52 -4.594 18.622 11.224 1.00 0.00 N ATOM 777 CA LEU A 52 -4.263 17.889 10.007 1.00 0.00 C ATOM 778 C LEU A 52 -3.156 16.882 10.293 1.00 0.00 C ATOM 779 O LEU A 52 -3.098 15.811 9.688 1.00 0.00 O ATOM 780 CB LEU A 52 -3.825 18.858 8.901 1.00 0.00 C ATOM 781 CG LEU A 52 -3.540 18.080 7.583 1.00 0.00 C ATOM 782 CD1 LEU A 52 -4.100 18.849 6.380 1.00 0.00 C ATOM 783 CD2 LEU A 52 -2.027 17.900 7.390 1.00 0.00 C ATOM 0 H LEU A 52 -4.109 19.513 11.328 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.150 17.355 9.667 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.603 19.602 8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.931 19.397 9.214 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.022 17.105 7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.894 18.294 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.177 18.971 6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.628 19.830 6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.841 17.355 6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.548 18.878 7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.617 17.340 8.230 1.00 0.00 H new ATOM 795 N LEU A 53 -2.279 17.243 11.225 1.00 0.00 N ATOM 796 CA LEU A 53 -1.164 16.384 11.604 1.00 0.00 C ATOM 797 C LEU A 53 -1.679 15.084 12.220 1.00 0.00 C ATOM 798 O LEU A 53 -1.050 14.033 12.087 1.00 0.00 O ATOM 799 CB LEU A 53 -0.262 17.110 12.615 1.00 0.00 C ATOM 800 CG LEU A 53 0.665 18.085 11.880 1.00 0.00 C ATOM 801 CD1 LEU A 53 -0.174 19.104 11.100 1.00 0.00 C ATOM 802 CD2 LEU A 53 1.539 18.816 12.902 1.00 0.00 C ATOM 0 H LEU A 53 -2.320 18.127 11.732 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.588 16.148 10.709 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.873 17.650 13.338 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.329 16.385 13.175 1.00 0.00 H new ATOM 0 HG LEU A 53 1.298 17.534 11.185 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.487 19.796 10.578 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.798 18.582 10.375 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.808 19.659 11.792 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.200 19.511 12.384 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.904 19.368 13.595 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.136 18.091 13.455 1.00 0.00 H new ATOM 814 N LEU A 54 -2.813 15.164 12.909 1.00 0.00 N ATOM 815 CA LEU A 54 -3.378 13.987 13.557 1.00 0.00 C ATOM 816 C LEU A 54 -3.559 12.870 12.535 1.00 0.00 C ATOM 817 O LEU A 54 -3.192 11.723 12.789 1.00 0.00 O ATOM 818 CB LEU A 54 -4.739 14.330 14.174 1.00 0.00 C ATOM 819 CG LEU A 54 -5.217 13.182 15.090 1.00 0.00 C ATOM 820 CD1 LEU A 54 -4.585 13.317 16.483 1.00 0.00 C ATOM 821 CD2 LEU A 54 -6.743 13.231 15.231 1.00 0.00 C ATOM 0 H LEU A 54 -3.353 16.021 13.032 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.697 13.658 14.342 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.664 15.254 14.747 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.470 14.503 13.385 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.916 12.234 14.644 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.930 12.502 17.119 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.499 13.275 16.396 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.877 14.270 16.924 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.075 12.419 15.878 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.038 14.186 15.667 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.203 13.123 14.249 1.00 0.00 H new ATOM 833 N LEU A 55 -4.112 13.209 11.377 1.00 0.00 N ATOM 834 CA LEU A 55 -4.317 12.223 10.325 1.00 0.00 C ATOM 835 C LEU A 55 -2.977 11.668 9.853 1.00 0.00 C ATOM 836 O LEU A 55 -2.845 10.473 9.595 1.00 0.00 O ATOM 837 CB LEU A 55 -5.068 12.859 9.145 1.00 0.00 C ATOM 838 CG LEU A 55 -5.195 11.843 7.972 1.00 0.00 C ATOM 839 CD1 LEU A 55 -6.592 11.927 7.346 1.00 0.00 C ATOM 840 CD2 LEU A 55 -4.149 12.154 6.888 1.00 0.00 C ATOM 0 H LEU A 55 -4.424 14.152 11.144 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.915 11.404 10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.059 13.179 9.466 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.539 13.750 8.807 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.030 10.841 8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.667 11.212 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.343 11.695 8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.760 12.934 6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.246 11.438 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.309 13.162 6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.149 12.083 7.316 1.00 0.00 H new ATOM 852 N ALA A 56 -1.989 12.550 9.743 1.00 0.00 N ATOM 853 CA ALA A 56 -0.660 12.144 9.303 1.00 0.00 C ATOM 854 C ALA A 56 0.085 11.426 10.427 1.00 0.00 C ATOM 855 O ALA A 56 1.133 10.823 10.201 1.00 0.00 O ATOM 856 CB ALA A 56 0.141 13.368 8.859 1.00 0.00 C ATOM 0 H ALA A 56 -2.083 13.544 9.951 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.772 11.459 8.463 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.133 13.055 8.532 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.374 13.861 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.237 14.063 9.694 1.00 0.00 H new ATOM 862 N LEU A 57 -0.465 11.496 11.642 1.00 0.00 N ATOM 863 CA LEU A 57 0.152 10.849 12.806 1.00 0.00 C ATOM 864 C LEU A 57 -0.904 10.099 13.620 1.00 0.00 C ATOM 865 O LEU A 57 -1.209 10.472 14.753 1.00 0.00 O ATOM 866 CB LEU A 57 0.832 11.909 13.687 1.00 0.00 C ATOM 867 CG LEU A 57 2.186 12.328 13.069 1.00 0.00 C ATOM 868 CD1 LEU A 57 2.537 13.756 13.501 1.00 0.00 C ATOM 869 CD2 LEU A 57 3.298 11.381 13.542 1.00 0.00 C ATOM 0 H LEU A 57 -1.333 11.992 11.846 1.00 0.00 H new ATOM 0 HA LEU A 57 0.898 10.134 12.458 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.184 12.780 13.786 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.989 11.512 14.690 1.00 0.00 H new ATOM 0 HG LEU A 57 2.101 12.280 11.983 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.492 14.045 13.062 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.760 14.440 13.161 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.609 13.800 14.588 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.247 11.685 13.101 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.373 11.422 14.629 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.064 10.362 13.233 1.00 0.00 H new ATOM 881 N PRO A 58 -1.462 9.057 13.061 1.00 0.00 N ATOM 882 CA PRO A 58 -2.507 8.239 13.743 1.00 0.00 C ATOM 883 C PRO A 58 -1.911 7.283 14.786 1.00 0.00 C ATOM 884 O PRO A 58 -0.710 7.016 14.773 1.00 0.00 O ATOM 885 CB PRO A 58 -3.165 7.469 12.585 1.00 0.00 C ATOM 886 CG PRO A 58 -2.106 7.356 11.527 1.00 0.00 C ATOM 887 CD PRO A 58 -1.155 8.549 11.714 1.00 0.00 C ATOM 0 HA PRO A 58 -3.210 8.851 14.308 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.502 6.485 12.910 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -4.041 7.998 12.209 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.566 6.414 11.621 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.552 7.370 10.532 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.112 8.242 11.634 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.322 9.313 10.954 1.00 0.00 H new ATOM 895 N PRO A 59 -2.728 6.755 15.675 1.00 0.00 N ATOM 896 CA PRO A 59 -2.268 5.796 16.725 1.00 0.00 C ATOM 897 C PRO A 59 -1.307 4.738 16.175 1.00 0.00 C ATOM 898 O PRO A 59 -0.667 4.012 16.936 1.00 0.00 O ATOM 899 CB PRO A 59 -3.571 5.140 17.211 1.00 0.00 C ATOM 900 CG PRO A 59 -4.648 6.150 16.951 1.00 0.00 C ATOM 901 CD PRO A 59 -4.175 7.025 15.776 1.00 0.00 C ATOM 0 HA PRO A 59 -1.710 6.300 17.514 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.766 4.211 16.675 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.514 4.891 18.271 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.589 5.656 16.709 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.827 6.759 17.837 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.693 6.764 14.853 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.370 8.081 15.964 1.00 0.00 H new ATOM 909 N ARG A 60 -1.213 4.664 14.853 1.00 0.00 N ATOM 910 CA ARG A 60 -0.326 3.695 14.222 1.00 0.00 C ATOM 911 C ARG A 60 1.131 4.089 14.439 1.00 0.00 C ATOM 912 O ARG A 60 1.905 3.341 15.037 1.00 0.00 O ATOM 913 CB ARG A 60 -0.619 3.606 12.721 1.00 0.00 C ATOM 914 CG ARG A 60 0.165 2.429 12.078 1.00 0.00 C ATOM 915 CD ARG A 60 1.416 2.953 11.363 1.00 0.00 C ATOM 916 NE ARG A 60 1.027 3.822 10.261 1.00 0.00 N ATOM 917 CZ ARG A 60 1.901 4.643 9.686 1.00 0.00 C ATOM 918 NH1 ARG A 60 3.133 4.688 10.112 1.00 0.00 N ATOM 919 NH2 ARG A 60 1.525 5.405 8.695 1.00 0.00 N ATOM 0 H ARG A 60 -1.733 5.255 14.204 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.501 2.720 14.678 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.688 3.467 12.562 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.343 4.542 12.235 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.451 1.710 12.846 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.473 1.901 11.369 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.045 3.500 12.065 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.008 2.118 10.988 1.00 0.00 H new ATOM 0 HE ARG A 60 0.065 3.801 9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.427 4.093 10.887 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.803 5.318 9.670 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.561 5.370 8.362 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.195 6.035 8.253 1.00 0.00 H new ATOM 933 N ALA A 61 1.496 5.273 13.950 1.00 0.00 N ATOM 934 CA ALA A 61 2.862 5.770 14.093 1.00 0.00 C ATOM 935 C ALA A 61 3.012 6.535 15.404 1.00 0.00 C ATOM 936 O ALA A 61 2.023 6.885 16.045 1.00 0.00 O ATOM 937 CB ALA A 61 3.209 6.687 12.917 1.00 0.00 C ATOM 0 H ALA A 61 0.867 5.904 13.453 1.00 0.00 H new ATOM 0 HA ALA A 61 3.544 4.920 14.100 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.229 7.054 13.030 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.125 6.130 11.984 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.520 7.531 12.898 1.00 0.00 H new