USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 622 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 SER OG : rot 180:sc= -0.585 USER MOD Set 1.2: A 54 TYR OH : rot -63:sc= 0.833 USER MOD Set 1.3: A 83 HIS : no HD1:sc= 0 X(o=0.25,f=0.25) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -130:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot -56:sc= 0.0326 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -130:sc= -0.333 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0459 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 170:sc= -1.85 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot -2:sc= 1.29 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 160:sc= -0.428 USER MOD Single : A 49 MET CE :methyl 164:sc= -2.3 (180deg=-3.02) USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0276) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 0.0573 (180deg=0.0417) USER MOD Single : A 66 GLN : amide:sc= -0.676 K(o=-0.68,f=-1.9) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.0869 USER MOD Single : A 80 CYS SG : rot -94:sc= 1.04 USER MOD Single : A 87 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.620 -8.848 9.793 1.00 0.00 N ATOM 60 CA GLY A 7 0.487 -7.751 8.850 1.00 0.00 C ATOM 61 C GLY A 7 0.938 -6.431 9.477 1.00 0.00 C ATOM 62 O GLY A 7 1.306 -6.390 10.650 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.082 -7.957 7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.551 -7.668 8.527 1.00 0.00 H new ATOM 66 N VAL A 8 0.896 -5.383 8.667 1.00 0.00 N ATOM 67 CA VAL A 8 1.296 -4.064 9.128 1.00 0.00 C ATOM 68 C VAL A 8 0.197 -3.055 8.789 1.00 0.00 C ATOM 69 O VAL A 8 -0.246 -2.976 7.644 1.00 0.00 O ATOM 70 CB VAL A 8 2.655 -3.691 8.531 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.790 -4.028 9.499 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.866 -4.376 7.179 1.00 0.00 C ATOM 0 H VAL A 8 0.591 -5.421 7.694 1.00 0.00 H new ATOM 0 HA VAL A 8 1.419 -4.059 10.211 1.00 0.00 H new ATOM 0 HB VAL A 8 2.664 -2.614 8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.745 -3.753 9.050 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.653 -3.474 10.428 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.783 -5.097 9.710 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.839 -4.094 6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.826 -5.457 7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.083 -4.065 6.487 1.00 0.00 H new ATOM 82 N MET A 9 -0.211 -2.310 9.805 1.00 0.00 N ATOM 83 CA MET A 9 -1.250 -1.309 9.629 1.00 0.00 C ATOM 84 C MET A 9 -0.693 -0.054 8.954 1.00 0.00 C ATOM 85 O MET A 9 0.085 0.685 9.555 1.00 0.00 O ATOM 86 CB MET A 9 -1.837 -0.938 10.993 1.00 0.00 C ATOM 87 CG MET A 9 -3.354 -1.137 11.009 1.00 0.00 C ATOM 88 SD MET A 9 -4.126 0.128 12.004 1.00 0.00 S ATOM 89 CE MET A 9 -5.103 -0.890 13.097 1.00 0.00 C ATOM 0 H MET A 9 0.159 -2.379 10.753 1.00 0.00 H new ATOM 0 HA MET A 9 -2.028 -1.727 8.990 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.378 -1.550 11.769 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.600 0.100 11.225 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.745 -1.100 9.992 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.595 -2.122 11.407 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.654 -0.255 13.790 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.806 -1.483 12.511 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.447 -1.555 13.658 1.00 0.00 H new ATOM 99 N VAL A 10 -1.115 0.149 7.714 1.00 0.00 N ATOM 100 CA VAL A 10 -0.669 1.302 6.951 1.00 0.00 C ATOM 101 C VAL A 10 -1.885 2.117 6.508 1.00 0.00 C ATOM 102 O VAL A 10 -2.946 1.557 6.237 1.00 0.00 O ATOM 103 CB VAL A 10 0.205 0.847 5.780 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.400 0.028 6.273 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.616 0.060 4.757 1.00 0.00 C ATOM 0 H VAL A 10 -1.761 -0.466 7.219 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.050 1.953 7.569 1.00 0.00 H new ATOM 0 HB VAL A 10 0.592 1.737 5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.004 -0.283 5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.006 0.636 6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.042 -0.854 6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.029 -0.252 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.046 -0.820 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.417 0.690 4.371 1.00 0.00 H new ATOM 115 N PHE A 11 -1.691 3.426 6.449 1.00 0.00 N ATOM 116 CA PHE A 11 -2.759 4.324 6.044 1.00 0.00 C ATOM 117 C PHE A 11 -2.716 4.582 4.537 1.00 0.00 C ATOM 118 O PHE A 11 -1.875 5.340 4.057 1.00 0.00 O ATOM 119 CB PHE A 11 -2.537 5.645 6.783 1.00 0.00 C ATOM 120 CG PHE A 11 -3.016 5.634 8.236 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.326 5.399 8.518 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.133 5.860 9.245 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.770 5.389 9.867 1.00 0.00 C ATOM 124 CE2 PHE A 11 -2.578 5.849 10.593 1.00 0.00 C ATOM 125 CZ PHE A 11 -3.887 5.614 10.876 1.00 0.00 C ATOM 0 H PHE A 11 -0.809 3.887 6.675 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.727 3.883 6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.474 5.886 6.764 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.054 6.441 6.247 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.028 5.220 7.717 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.093 6.048 9.021 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.810 5.203 10.091 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.876 6.027 11.394 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.225 5.606 11.902 1.00 0.00 H new ATOM 135 N ILE A 12 -3.634 3.937 3.832 1.00 0.00 N ATOM 136 CA ILE A 12 -3.711 4.087 2.389 1.00 0.00 C ATOM 137 C ILE A 12 -4.530 5.336 2.054 1.00 0.00 C ATOM 138 O ILE A 12 -5.588 5.563 2.638 1.00 0.00 O ATOM 139 CB ILE A 12 -4.249 2.808 1.745 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.510 1.576 2.272 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.196 2.898 0.218 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.074 1.532 1.746 1.00 0.00 C ATOM 0 H ILE A 12 -4.331 3.309 4.233 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.717 4.234 1.968 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.297 2.700 2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.502 1.591 3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.040 0.673 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.584 1.976 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.802 3.740 -0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.164 3.043 -0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.571 0.647 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.087 1.493 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.540 2.425 2.071 1.00 0.00 H new ATOM 154 N SER A 13 -4.009 6.111 1.114 1.00 0.00 N ATOM 155 CA SER A 13 -4.679 7.331 0.695 1.00 0.00 C ATOM 156 C SER A 13 -4.669 7.434 -0.832 1.00 0.00 C ATOM 157 O SER A 13 -3.794 6.874 -1.490 1.00 0.00 O ATOM 158 CB SER A 13 -4.017 8.564 1.314 1.00 0.00 C ATOM 159 OG SER A 13 -2.610 8.395 1.466 1.00 0.00 O ATOM 0 H SER A 13 -3.132 5.918 0.631 1.00 0.00 H new ATOM 0 HA SER A 13 -5.711 7.292 1.045 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.212 9.434 0.686 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.465 8.766 2.287 1.00 0.00 H new ATOM 0 HG SER A 13 -2.224 9.204 1.863 1.00 0.00 H new ATOM 165 N SER A 14 -5.654 8.154 -1.350 1.00 0.00 N ATOM 166 CA SER A 14 -5.770 8.337 -2.787 1.00 0.00 C ATOM 167 C SER A 14 -6.315 9.734 -3.094 1.00 0.00 C ATOM 168 O SER A 14 -7.173 10.241 -2.374 1.00 0.00 O ATOM 169 CB SER A 14 -6.671 7.268 -3.408 1.00 0.00 C ATOM 170 OG SER A 14 -7.927 7.176 -2.742 1.00 0.00 O ATOM 0 H SER A 14 -6.378 8.617 -0.801 1.00 0.00 H new ATOM 0 HA SER A 14 -4.777 8.236 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.835 7.499 -4.461 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.168 6.302 -3.368 1.00 0.00 H new ATOM 0 HG SER A 14 -8.113 6.239 -2.522 1.00 0.00 H new ATOM 176 N SER A 15 -5.793 10.316 -4.164 1.00 0.00 N ATOM 177 CA SER A 15 -6.216 11.643 -4.574 1.00 0.00 C ATOM 178 C SER A 15 -7.635 11.587 -5.144 1.00 0.00 C ATOM 179 O SER A 15 -8.244 12.624 -5.407 1.00 0.00 O ATOM 180 CB SER A 15 -5.253 12.234 -5.606 1.00 0.00 C ATOM 181 OG SER A 15 -4.697 13.471 -5.170 1.00 0.00 O ATOM 0 H SER A 15 -5.081 9.892 -4.759 1.00 0.00 H new ATOM 0 HA SER A 15 -6.208 12.290 -3.697 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.449 11.524 -5.800 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.780 12.385 -6.548 1.00 0.00 H new ATOM 0 HG SER A 15 -4.087 13.815 -5.855 1.00 0.00 H new ATOM 187 N LEU A 16 -8.121 10.367 -5.318 1.00 0.00 N ATOM 188 CA LEU A 16 -9.457 10.163 -5.852 1.00 0.00 C ATOM 189 C LEU A 16 -10.486 10.402 -4.745 1.00 0.00 C ATOM 190 O LEU A 16 -11.477 11.099 -4.955 1.00 0.00 O ATOM 191 CB LEU A 16 -9.567 8.784 -6.506 1.00 0.00 C ATOM 192 CG LEU A 16 -8.720 8.568 -7.762 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.118 7.162 -7.782 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.530 8.862 -9.027 1.00 0.00 C ATOM 0 H LEU A 16 -7.614 9.510 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.666 10.884 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.287 8.031 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.612 8.607 -6.762 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.890 9.274 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.521 7.035 -8.685 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.484 7.025 -6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.919 6.423 -7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.905 8.701 -9.905 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.393 8.197 -9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.870 9.897 -9.009 1.00 0.00 H new ATOM 206 N ASN A 17 -10.215 9.810 -3.591 1.00 0.00 N ATOM 207 CA ASN A 17 -11.105 9.951 -2.451 1.00 0.00 C ATOM 208 C ASN A 17 -10.679 11.166 -1.624 1.00 0.00 C ATOM 209 O ASN A 17 -11.501 11.774 -0.940 1.00 0.00 O ATOM 210 CB ASN A 17 -11.041 8.718 -1.547 1.00 0.00 C ATOM 211 CG ASN A 17 -12.134 7.712 -1.913 1.00 0.00 C ATOM 212 OD1 ASN A 17 -13.071 7.476 -1.168 1.00 0.00 O ATOM 213 ND2 ASN A 17 -11.963 7.135 -3.099 1.00 0.00 N ATOM 0 H ASN A 17 -9.392 9.232 -3.421 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.121 10.069 -2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.063 8.246 -1.638 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.154 9.020 -0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.639 6.449 -3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.156 7.378 -3.673 1.00 0.00 H new ATOM 220 N SER A 18 -9.396 11.483 -1.714 1.00 0.00 N ATOM 221 CA SER A 18 -8.852 12.614 -0.983 1.00 0.00 C ATOM 222 C SER A 18 -9.048 12.409 0.521 1.00 0.00 C ATOM 223 O SER A 18 -9.556 13.291 1.210 1.00 0.00 O ATOM 224 CB SER A 18 -9.504 13.924 -1.429 1.00 0.00 C ATOM 225 OG SER A 18 -8.771 15.063 -0.988 1.00 0.00 O ATOM 0 H SER A 18 -8.717 10.976 -2.282 1.00 0.00 H new ATOM 0 HA SER A 18 -7.786 12.679 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.579 13.940 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.521 13.974 -1.039 1.00 0.00 H new ATOM 0 HG SER A 18 -8.672 15.031 -0.014 1.00 0.00 H new ATOM 231 N PHE A 19 -8.634 11.238 0.984 1.00 0.00 N ATOM 232 CA PHE A 19 -8.758 10.906 2.393 1.00 0.00 C ATOM 233 C PHE A 19 -7.863 9.720 2.758 1.00 0.00 C ATOM 234 O PHE A 19 -7.398 8.996 1.879 1.00 0.00 O ATOM 235 CB PHE A 19 -10.219 10.520 2.635 1.00 0.00 C ATOM 236 CG PHE A 19 -10.720 10.833 4.047 1.00 0.00 C ATOM 237 CD1 PHE A 19 -11.190 12.075 4.342 1.00 0.00 C ATOM 238 CD2 PHE A 19 -10.695 9.870 5.006 1.00 0.00 C ATOM 239 CE1 PHE A 19 -11.655 12.365 5.651 1.00 0.00 C ATOM 240 CE2 PHE A 19 -11.160 10.160 6.316 1.00 0.00 C ATOM 241 CZ PHE A 19 -11.630 11.402 6.611 1.00 0.00 C ATOM 0 H PHE A 19 -8.213 10.508 0.409 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.455 11.757 3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.847 11.043 1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.338 9.453 2.446 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.209 12.840 3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.321 8.884 4.772 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.029 13.351 5.885 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.141 9.395 7.078 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.983 11.623 7.607 1.00 0.00 H new ATOM 251 N ARG A 20 -7.648 9.558 4.055 1.00 0.00 N ATOM 252 CA ARG A 20 -6.817 8.472 4.546 1.00 0.00 C ATOM 253 C ARG A 20 -7.683 7.270 4.926 1.00 0.00 C ATOM 254 O ARG A 20 -8.599 7.393 5.738 1.00 0.00 O ATOM 255 CB ARG A 20 -6.002 8.910 5.765 1.00 0.00 C ATOM 256 CG ARG A 20 -5.043 10.047 5.403 1.00 0.00 C ATOM 257 CD ARG A 20 -3.866 10.102 6.380 1.00 0.00 C ATOM 258 NE ARG A 20 -3.457 11.508 6.600 1.00 0.00 N ATOM 259 CZ ARG A 20 -4.046 12.333 7.476 1.00 0.00 C ATOM 260 NH1 ARG A 20 -5.073 11.899 8.220 1.00 0.00 N ATOM 261 NH2 ARG A 20 -3.608 13.592 7.609 1.00 0.00 N ATOM 0 H ARG A 20 -8.035 10.161 4.781 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.132 8.192 3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.674 9.235 6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.437 8.062 6.153 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.672 9.905 4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.577 10.997 5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.148 9.644 7.328 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.028 9.528 5.985 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.678 11.871 6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.406 10.940 8.119 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.521 12.527 8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.826 13.922 7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.056 14.220 8.276 1.00 0.00 H new ATOM 275 N SER A 21 -7.364 6.136 4.321 1.00 0.00 N ATOM 276 CA SER A 21 -8.102 4.912 4.586 1.00 0.00 C ATOM 277 C SER A 21 -7.343 4.052 5.598 1.00 0.00 C ATOM 278 O SER A 21 -6.182 4.323 5.901 1.00 0.00 O ATOM 279 CB SER A 21 -8.345 4.125 3.297 1.00 0.00 C ATOM 280 OG SER A 21 -9.494 4.592 2.595 1.00 0.00 O ATOM 0 H SER A 21 -6.604 6.038 3.648 1.00 0.00 H new ATOM 0 HA SER A 21 -9.072 5.181 5.003 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.469 4.205 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.470 3.069 3.535 1.00 0.00 H new ATOM 0 HG SER A 21 -9.614 4.065 1.777 1.00 0.00 H new ATOM 286 N GLU A 22 -8.029 3.032 6.093 1.00 0.00 N ATOM 287 CA GLU A 22 -7.434 2.130 7.064 1.00 0.00 C ATOM 288 C GLU A 22 -7.473 0.691 6.546 1.00 0.00 C ATOM 289 O GLU A 22 -8.500 0.022 6.639 1.00 0.00 O ATOM 290 CB GLU A 22 -8.135 2.244 8.419 1.00 0.00 C ATOM 291 CG GLU A 22 -7.272 1.651 9.535 1.00 0.00 C ATOM 292 CD GLU A 22 -7.612 2.284 10.886 1.00 0.00 C ATOM 293 OE1 GLU A 22 -7.097 3.394 11.138 1.00 0.00 O ATOM 294 OE2 GLU A 22 -8.378 1.642 11.636 1.00 0.00 O ATOM 0 H GLU A 22 -8.992 2.810 5.839 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.392 2.416 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.347 3.291 8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.093 1.726 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.426 0.573 9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.218 1.812 9.309 1.00 0.00 H new ATOM 301 N LYS A 23 -6.340 0.258 6.012 1.00 0.00 N ATOM 302 CA LYS A 23 -6.232 -1.089 5.478 1.00 0.00 C ATOM 303 C LYS A 23 -5.039 -1.795 6.127 1.00 0.00 C ATOM 304 O LYS A 23 -4.297 -1.187 6.897 1.00 0.00 O ATOM 305 CB LYS A 23 -6.170 -1.057 3.950 1.00 0.00 C ATOM 306 CG LYS A 23 -7.564 -0.861 3.349 1.00 0.00 C ATOM 307 CD LYS A 23 -8.111 -2.178 2.794 1.00 0.00 C ATOM 308 CE LYS A 23 -9.194 -1.921 1.744 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.483 -2.506 2.176 1.00 0.00 N ATOM 0 H LYS A 23 -5.489 0.816 5.938 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.121 -1.669 5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.513 -0.250 3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.738 -1.987 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.241 -0.474 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.520 -0.117 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.299 -2.755 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.522 -2.777 3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.309 -0.849 1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.893 -2.353 0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.207 -2.323 1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.373 -3.532 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.776 -2.075 3.076 1.00 0.00 H new ATOM 323 N ARG A 24 -4.892 -3.068 5.792 1.00 0.00 N ATOM 324 CA ARG A 24 -3.802 -3.863 6.332 1.00 0.00 C ATOM 325 C ARG A 24 -3.201 -4.751 5.240 1.00 0.00 C ATOM 326 O ARG A 24 -3.909 -5.199 4.339 1.00 0.00 O ATOM 327 CB ARG A 24 -4.283 -4.743 7.488 1.00 0.00 C ATOM 328 CG ARG A 24 -3.219 -5.773 7.872 1.00 0.00 C ATOM 329 CD ARG A 24 -3.725 -6.697 8.981 1.00 0.00 C ATOM 330 NE ARG A 24 -3.319 -8.092 8.703 1.00 0.00 N ATOM 331 CZ ARG A 24 -3.687 -8.779 7.613 1.00 0.00 C ATOM 332 NH1 ARG A 24 -4.473 -8.203 6.692 1.00 0.00 N ATOM 333 NH2 ARG A 24 -3.270 -10.041 7.443 1.00 0.00 N ATOM 0 H ARG A 24 -5.510 -3.569 5.153 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.043 -3.176 6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.519 -4.120 8.351 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.203 -5.254 7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.947 -6.364 6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.316 -5.261 8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.324 -6.378 9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.811 -6.633 9.052 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.721 -8.560 9.384 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.790 -7.242 6.821 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.753 -8.725 5.862 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.672 -10.479 8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.551 -10.563 6.613 1.00 0.00 H new ATOM 347 N TYR A 25 -1.901 -4.980 5.357 1.00 0.00 N ATOM 348 CA TYR A 25 -1.197 -5.806 4.391 1.00 0.00 C ATOM 349 C TYR A 25 0.027 -6.469 5.026 1.00 0.00 C ATOM 350 O TYR A 25 0.579 -5.958 5.999 1.00 0.00 O ATOM 351 CB TYR A 25 -0.732 -4.858 3.284 1.00 0.00 C ATOM 352 CG TYR A 25 -1.855 -4.017 2.672 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.245 -2.840 3.279 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.477 -4.436 1.514 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.301 -2.049 2.703 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.534 -3.645 0.938 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.893 -2.490 1.561 1.00 0.00 C ATOM 358 OH TYR A 25 -4.891 -1.743 1.017 1.00 0.00 O ATOM 0 H TYR A 25 -1.317 -4.608 6.106 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.847 -6.598 4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.029 -4.190 3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.258 -5.442 2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.758 -2.513 4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.171 -5.357 1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.616 -1.126 3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.030 -3.961 0.032 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.664 -2.316 0.831 1.00 0.00 H new ATOM 368 N SER A 26 0.415 -7.597 4.449 1.00 0.00 N ATOM 369 CA SER A 26 1.564 -8.335 4.947 1.00 0.00 C ATOM 370 C SER A 26 2.858 -7.669 4.475 1.00 0.00 C ATOM 371 O SER A 26 2.902 -7.089 3.391 1.00 0.00 O ATOM 372 CB SER A 26 1.520 -9.794 4.490 1.00 0.00 C ATOM 373 OG SER A 26 2.646 -10.533 4.955 1.00 0.00 O ATOM 0 H SER A 26 -0.045 -8.018 3.642 1.00 0.00 H new ATOM 0 HA SER A 26 1.534 -8.323 6.037 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.605 -10.261 4.854 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.486 -9.832 3.401 1.00 0.00 H new ATOM 0 HG SER A 26 2.580 -11.460 4.644 1.00 0.00 H new ATOM 379 N ARG A 27 3.880 -7.776 5.311 1.00 0.00 N ATOM 380 CA ARG A 27 5.171 -7.192 4.993 1.00 0.00 C ATOM 381 C ARG A 27 5.881 -8.024 3.923 1.00 0.00 C ATOM 382 O ARG A 27 6.978 -7.677 3.488 1.00 0.00 O ATOM 383 CB ARG A 27 6.059 -7.107 6.236 1.00 0.00 C ATOM 384 CG ARG A 27 5.498 -6.102 7.244 1.00 0.00 C ATOM 385 CD ARG A 27 6.594 -5.600 8.185 1.00 0.00 C ATOM 386 NE ARG A 27 6.186 -5.807 9.593 1.00 0.00 N ATOM 387 CZ ARG A 27 6.210 -6.993 10.215 1.00 0.00 C ATOM 388 NH1 ARG A 27 6.622 -8.086 9.558 1.00 0.00 N ATOM 389 NH2 ARG A 27 5.822 -7.087 11.494 1.00 0.00 N ATOM 0 H ARG A 27 3.840 -8.259 6.209 1.00 0.00 H new ATOM 0 HA ARG A 27 4.995 -6.184 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.135 -8.090 6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.068 -6.813 5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.054 -5.259 6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.702 -6.569 7.824 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.526 -6.129 7.986 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.783 -4.542 8.004 1.00 0.00 H new ATOM 0 HE ARG A 27 5.867 -4.996 10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.917 -8.015 8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.640 -8.989 10.032 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.508 -6.255 11.994 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.840 -7.990 11.967 1.00 0.00 H new ATOM 403 N SER A 28 5.226 -9.106 3.529 1.00 0.00 N ATOM 404 CA SER A 28 5.781 -9.990 2.518 1.00 0.00 C ATOM 405 C SER A 28 5.108 -9.730 1.169 1.00 0.00 C ATOM 406 O SER A 28 5.440 -10.370 0.172 1.00 0.00 O ATOM 407 CB SER A 28 5.616 -11.457 2.920 1.00 0.00 C ATOM 408 OG SER A 28 6.851 -12.167 2.868 1.00 0.00 O ATOM 0 H SER A 28 4.316 -9.391 3.892 1.00 0.00 H new ATOM 0 HA SER A 28 6.848 -9.783 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.208 -11.513 3.929 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.895 -11.935 2.258 1.00 0.00 H new ATOM 0 HG SER A 28 6.704 -13.099 3.133 1.00 0.00 H new ATOM 414 N LEU A 29 4.174 -8.790 1.181 1.00 0.00 N ATOM 415 CA LEU A 29 3.452 -8.438 -0.029 1.00 0.00 C ATOM 416 C LEU A 29 4.357 -7.597 -0.932 1.00 0.00 C ATOM 417 O LEU A 29 4.689 -6.460 -0.598 1.00 0.00 O ATOM 418 CB LEU A 29 2.126 -7.758 0.317 1.00 0.00 C ATOM 419 CG LEU A 29 0.885 -8.653 0.290 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.390 -7.830 0.482 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.841 -9.489 -0.990 1.00 0.00 C ATOM 0 H LEU A 29 3.901 -8.262 2.010 1.00 0.00 H new ATOM 0 HA LEU A 29 3.187 -9.335 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.213 -7.322 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.970 -6.934 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 29 0.947 -9.348 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.257 -8.491 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.351 -7.317 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.473 -7.095 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.050 -10.116 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.814 -8.827 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.728 -10.120 -1.043 1.00 0.00 H new ATOM 433 N THR A 30 4.731 -8.188 -2.057 1.00 0.00 N ATOM 434 CA THR A 30 5.591 -7.507 -3.010 1.00 0.00 C ATOM 435 C THR A 30 4.959 -6.184 -3.448 1.00 0.00 C ATOM 436 O THR A 30 3.772 -6.134 -3.767 1.00 0.00 O ATOM 437 CB THR A 30 5.861 -8.466 -4.172 1.00 0.00 C ATOM 438 OG1 THR A 30 4.564 -8.780 -4.671 1.00 0.00 O ATOM 439 CG2 THR A 30 6.416 -9.812 -3.703 1.00 0.00 C ATOM 0 H THR A 30 4.454 -9.131 -2.330 1.00 0.00 H new ATOM 0 HA THR A 30 6.548 -7.241 -2.560 1.00 0.00 H new ATOM 0 HB THR A 30 6.564 -8.006 -4.867 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.648 -9.263 -5.519 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.590 -10.455 -4.566 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.355 -9.654 -3.173 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.699 -10.288 -3.035 1.00 0.00 H new ATOM 447 N ILE A 31 5.781 -5.145 -3.450 1.00 0.00 N ATOM 448 CA ILE A 31 5.318 -3.825 -3.844 1.00 0.00 C ATOM 449 C ILE A 31 4.323 -3.962 -4.998 1.00 0.00 C ATOM 450 O ILE A 31 3.284 -3.303 -5.008 1.00 0.00 O ATOM 451 CB ILE A 31 6.505 -2.913 -4.160 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.405 -2.739 -2.935 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.031 -1.570 -4.720 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.623 -2.147 -1.761 1.00 0.00 C ATOM 0 H ILE A 31 6.765 -5.190 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 31 4.788 -3.346 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 31 7.106 -3.390 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.825 -3.703 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.243 -2.088 -3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.894 -0.941 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.465 -1.737 -5.637 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.395 -1.074 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.285 -2.033 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.225 -1.172 -2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.801 -2.813 -1.499 1.00 0.00 H new ATOM 466 N ALA A 32 4.676 -4.822 -5.943 1.00 0.00 N ATOM 467 CA ALA A 32 3.826 -5.053 -7.098 1.00 0.00 C ATOM 468 C ALA A 32 2.475 -5.598 -6.632 1.00 0.00 C ATOM 469 O ALA A 32 1.429 -5.049 -6.974 1.00 0.00 O ATOM 470 CB ALA A 32 4.533 -6.000 -8.070 1.00 0.00 C ATOM 0 H ALA A 32 5.538 -5.366 -5.932 1.00 0.00 H new ATOM 0 HA ALA A 32 3.639 -4.120 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.896 -6.174 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.473 -5.553 -8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.735 -6.948 -7.572 1.00 0.00 H new ATOM 476 N GLU A 33 2.541 -6.671 -5.858 1.00 0.00 N ATOM 477 CA GLU A 33 1.336 -7.297 -5.341 1.00 0.00 C ATOM 478 C GLU A 33 0.563 -6.313 -4.460 1.00 0.00 C ATOM 479 O GLU A 33 -0.654 -6.186 -4.585 1.00 0.00 O ATOM 480 CB GLU A 33 1.669 -8.577 -4.572 1.00 0.00 C ATOM 481 CG GLU A 33 1.966 -9.731 -5.531 1.00 0.00 C ATOM 482 CD GLU A 33 0.738 -10.627 -5.708 1.00 0.00 C ATOM 483 OE1 GLU A 33 -0.280 -10.101 -6.207 1.00 0.00 O ATOM 484 OE2 GLU A 33 0.846 -11.817 -5.341 1.00 0.00 O ATOM 0 H GLU A 33 3.411 -7.123 -5.576 1.00 0.00 H new ATOM 0 HA GLU A 33 0.703 -7.574 -6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.531 -8.404 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.834 -8.844 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.274 -9.334 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.799 -10.321 -5.149 1.00 0.00 H new ATOM 491 N PHE A 34 1.302 -5.642 -3.589 1.00 0.00 N ATOM 492 CA PHE A 34 0.702 -4.673 -2.687 1.00 0.00 C ATOM 493 C PHE A 34 -0.250 -3.741 -3.439 1.00 0.00 C ATOM 494 O PHE A 34 -1.372 -3.504 -2.995 1.00 0.00 O ATOM 495 CB PHE A 34 1.844 -3.846 -2.094 1.00 0.00 C ATOM 496 CG PHE A 34 1.394 -2.825 -1.048 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.166 -2.933 -0.475 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.224 -1.807 -0.690 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.252 -1.985 0.496 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.806 -0.859 0.281 1.00 0.00 C ATOM 501 CZ PHE A 34 0.577 -0.968 0.853 1.00 0.00 C ATOM 0 H PHE A 34 2.311 -5.750 -3.488 1.00 0.00 H new ATOM 0 HA PHE A 34 0.130 -5.188 -1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.570 -4.521 -1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.357 -3.322 -2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.492 -3.741 -0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.200 -1.720 -1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.228 -2.072 0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.464 -0.051 0.565 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.259 -0.246 1.591 1.00 0.00 H new ATOM 511 N LYS A 35 0.233 -3.238 -4.566 1.00 0.00 N ATOM 512 CA LYS A 35 -0.561 -2.337 -5.384 1.00 0.00 C ATOM 513 C LYS A 35 -1.803 -3.074 -5.889 1.00 0.00 C ATOM 514 O LYS A 35 -2.911 -2.543 -5.832 1.00 0.00 O ATOM 515 CB LYS A 35 0.293 -1.734 -6.501 1.00 0.00 C ATOM 516 CG LYS A 35 1.561 -1.091 -5.935 1.00 0.00 C ATOM 517 CD LYS A 35 2.697 -1.125 -6.960 1.00 0.00 C ATOM 518 CE LYS A 35 3.432 0.216 -7.008 1.00 0.00 C ATOM 519 NZ LYS A 35 2.732 1.160 -7.908 1.00 0.00 N ATOM 0 H LYS A 35 1.164 -3.437 -4.932 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.911 -1.492 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.563 -2.510 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.286 -0.987 -7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.354 -0.059 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.867 -1.616 -5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.398 -1.919 -6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.295 -1.359 -7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.494 0.639 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.454 0.065 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.244 2.065 -7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.694 0.761 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.765 1.318 -7.561 1.00 0.00 H new ATOM 533 N CYS A 36 -1.576 -4.287 -6.372 1.00 0.00 N ATOM 534 CA CYS A 36 -2.663 -5.102 -6.887 1.00 0.00 C ATOM 535 C CYS A 36 -3.838 -5.009 -5.911 1.00 0.00 C ATOM 536 O CYS A 36 -4.996 -5.051 -6.322 1.00 0.00 O ATOM 537 CB CYS A 36 -2.225 -6.550 -7.116 1.00 0.00 C ATOM 538 SG CYS A 36 -2.945 -7.183 -8.674 1.00 0.00 S ATOM 0 H CYS A 36 -0.656 -4.725 -6.417 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.972 -4.726 -7.862 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.137 -6.607 -7.159 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.544 -7.172 -6.279 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.701 -6.269 -9.205 1.00 0.00 H new ATOM 544 N LYS A 37 -3.498 -4.885 -4.636 1.00 0.00 N ATOM 545 CA LYS A 37 -4.510 -4.785 -3.598 1.00 0.00 C ATOM 546 C LYS A 37 -5.133 -3.388 -3.631 1.00 0.00 C ATOM 547 O LYS A 37 -6.353 -3.247 -3.562 1.00 0.00 O ATOM 548 CB LYS A 37 -3.921 -5.164 -2.238 1.00 0.00 C ATOM 549 CG LYS A 37 -3.333 -6.576 -2.268 1.00 0.00 C ATOM 550 CD LYS A 37 -4.312 -7.590 -1.672 1.00 0.00 C ATOM 551 CE LYS A 37 -3.873 -9.023 -1.982 1.00 0.00 C ATOM 552 NZ LYS A 37 -5.019 -9.952 -1.865 1.00 0.00 N ATOM 0 H LYS A 37 -2.536 -4.852 -4.299 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.315 -5.497 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.146 -4.449 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.696 -5.105 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.097 -6.854 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.397 -6.596 -1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.374 -7.450 -0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.310 -7.417 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.458 -9.073 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.082 -9.324 -1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.704 -10.920 -2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.397 -9.916 -0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.762 -9.673 -2.537 1.00 0.00 H new ATOM 566 N LEU A 38 -4.267 -2.391 -3.737 1.00 0.00 N ATOM 567 CA LEU A 38 -4.717 -1.010 -3.780 1.00 0.00 C ATOM 568 C LEU A 38 -5.616 -0.810 -5.002 1.00 0.00 C ATOM 569 O LEU A 38 -6.546 -0.005 -4.967 1.00 0.00 O ATOM 570 CB LEU A 38 -3.522 -0.056 -3.733 1.00 0.00 C ATOM 571 CG LEU A 38 -2.497 -0.319 -2.628 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.228 0.506 -2.850 1.00 0.00 C ATOM 573 CD2 LEU A 38 -3.105 -0.074 -1.246 1.00 0.00 C ATOM 0 H LEU A 38 -3.256 -2.512 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.317 -0.776 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.010 -0.099 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.898 0.961 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.210 -1.370 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.516 0.300 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.784 0.239 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.479 1.567 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.355 -0.268 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.439 0.961 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.955 -0.740 -1.099 1.00 0.00 H new ATOM 585 N GLU A 39 -5.309 -1.556 -6.052 1.00 0.00 N ATOM 586 CA GLU A 39 -6.077 -1.470 -7.283 1.00 0.00 C ATOM 587 C GLU A 39 -7.576 -1.459 -6.972 1.00 0.00 C ATOM 588 O GLU A 39 -8.351 -0.798 -7.662 1.00 0.00 O ATOM 589 CB GLU A 39 -5.723 -2.616 -8.232 1.00 0.00 C ATOM 590 CG GLU A 39 -4.302 -2.458 -8.776 1.00 0.00 C ATOM 591 CD GLU A 39 -3.999 -3.518 -9.836 1.00 0.00 C ATOM 592 OE1 GLU A 39 -4.312 -4.698 -9.565 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.461 -3.126 -10.894 1.00 0.00 O ATOM 0 H GLU A 39 -4.538 -2.224 -6.076 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.821 -0.536 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.812 -3.568 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.432 -2.640 -9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.182 -1.464 -9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.585 -2.540 -7.959 1.00 0.00 H new ATOM 600 N LEU A 40 -7.938 -2.197 -5.934 1.00 0.00 N ATOM 601 CA LEU A 40 -9.329 -2.281 -5.524 1.00 0.00 C ATOM 602 C LEU A 40 -9.649 -1.120 -4.580 1.00 0.00 C ATOM 603 O LEU A 40 -10.711 -0.508 -4.680 1.00 0.00 O ATOM 604 CB LEU A 40 -9.631 -3.658 -4.929 1.00 0.00 C ATOM 605 CG LEU A 40 -9.228 -4.861 -5.784 1.00 0.00 C ATOM 606 CD1 LEU A 40 -7.707 -4.940 -5.936 1.00 0.00 C ATOM 607 CD2 LEU A 40 -9.816 -6.156 -5.220 1.00 0.00 C ATOM 0 H LEU A 40 -7.292 -2.743 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.987 -2.182 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.124 -3.735 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.701 -3.720 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.645 -4.726 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.447 -5.804 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.342 -4.032 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.248 -5.041 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.514 -6.996 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.449 -6.310 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.904 -6.086 -5.206 1.00 0.00 H new ATOM 619 N VAL A 41 -8.710 -0.851 -3.685 1.00 0.00 N ATOM 620 CA VAL A 41 -8.878 0.226 -2.724 1.00 0.00 C ATOM 621 C VAL A 41 -9.308 1.497 -3.459 1.00 0.00 C ATOM 622 O VAL A 41 -10.187 2.221 -2.993 1.00 0.00 O ATOM 623 CB VAL A 41 -7.593 0.410 -1.914 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.663 1.673 -1.054 1.00 0.00 C ATOM 625 CG2 VAL A 41 -7.304 -0.823 -1.056 1.00 0.00 C ATOM 0 H VAL A 41 -7.830 -1.360 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.664 -0.019 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.768 0.529 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.737 1.780 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.799 2.543 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.503 1.597 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.385 -0.666 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.131 -0.988 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.189 -1.695 -1.699 1.00 0.00 H new ATOM 635 N VAL A 42 -8.669 1.730 -4.596 1.00 0.00 N ATOM 636 CA VAL A 42 -8.975 2.901 -5.400 1.00 0.00 C ATOM 637 C VAL A 42 -9.829 2.483 -6.599 1.00 0.00 C ATOM 638 O VAL A 42 -10.637 3.267 -7.093 1.00 0.00 O ATOM 639 CB VAL A 42 -7.681 3.609 -5.807 1.00 0.00 C ATOM 640 CG1 VAL A 42 -7.228 4.589 -4.722 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.579 2.597 -6.126 1.00 0.00 C ATOM 0 H VAL A 42 -7.941 1.128 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.556 3.620 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.883 4.181 -6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.306 5.079 -5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.002 5.340 -4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.052 4.047 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.670 3.127 -6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.380 1.986 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.900 1.957 -6.948 1.00 0.00 H new ATOM 651 N GLY A 43 -9.621 1.248 -7.031 1.00 0.00 N ATOM 652 CA GLY A 43 -10.362 0.716 -8.162 1.00 0.00 C ATOM 653 C GLY A 43 -9.662 1.048 -9.481 1.00 0.00 C ATOM 654 O GLY A 43 -10.287 1.034 -10.540 1.00 0.00 O ATOM 0 H GLY A 43 -8.950 0.600 -6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.461 -0.365 -8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.371 1.129 -8.167 1.00 0.00 H new ATOM 658 N SER A 44 -8.374 1.338 -9.373 1.00 0.00 N ATOM 659 CA SER A 44 -7.582 1.673 -10.545 1.00 0.00 C ATOM 660 C SER A 44 -6.438 0.670 -10.708 1.00 0.00 C ATOM 661 O SER A 44 -6.226 -0.181 -9.845 1.00 0.00 O ATOM 662 CB SER A 44 -7.030 3.097 -10.448 1.00 0.00 C ATOM 663 OG SER A 44 -7.388 3.726 -9.220 1.00 0.00 O ATOM 0 H SER A 44 -7.859 1.348 -8.493 1.00 0.00 H new ATOM 0 HA SER A 44 -8.229 1.622 -11.421 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.944 3.072 -10.539 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.406 3.689 -11.282 1.00 0.00 H new ATOM 0 HG SER A 44 -7.016 4.632 -9.196 1.00 0.00 H new ATOM 669 N PRO A 45 -5.712 0.806 -11.850 1.00 0.00 N ATOM 670 CA PRO A 45 -4.596 -0.078 -12.137 1.00 0.00 C ATOM 671 C PRO A 45 -3.379 0.279 -11.280 1.00 0.00 C ATOM 672 O PRO A 45 -3.080 1.455 -11.080 1.00 0.00 O ATOM 673 CB PRO A 45 -4.340 0.082 -13.627 1.00 0.00 C ATOM 674 CG PRO A 45 -5.011 1.386 -14.027 1.00 0.00 C ATOM 675 CD PRO A 45 -5.935 1.802 -12.894 1.00 0.00 C ATOM 0 HA PRO A 45 -4.810 -1.118 -11.892 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.271 0.112 -13.839 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.753 -0.757 -14.187 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.264 2.158 -14.213 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.574 1.258 -14.951 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.701 2.806 -12.540 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.976 1.812 -13.216 1.00 0.00 H new ATOM 683 N ALA A 46 -2.711 -0.758 -10.796 1.00 0.00 N ATOM 684 CA ALA A 46 -1.534 -0.568 -9.966 1.00 0.00 C ATOM 685 C ALA A 46 -0.334 -0.243 -10.857 1.00 0.00 C ATOM 686 O ALA A 46 0.658 0.315 -10.389 1.00 0.00 O ATOM 687 CB ALA A 46 -1.306 -1.817 -9.112 1.00 0.00 C ATOM 0 H ALA A 46 -2.963 -1.732 -10.963 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.675 0.271 -9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.423 -1.675 -8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.175 -1.987 -8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.157 -2.680 -9.761 1.00 0.00 H new ATOM 693 N SER A 47 -0.462 -0.607 -12.124 1.00 0.00 N ATOM 694 CA SER A 47 0.600 -0.360 -13.085 1.00 0.00 C ATOM 695 C SER A 47 0.544 1.091 -13.566 1.00 0.00 C ATOM 696 O SER A 47 1.307 1.486 -14.446 1.00 0.00 O ATOM 697 CB SER A 47 0.500 -1.318 -14.274 1.00 0.00 C ATOM 698 OG SER A 47 1.770 -1.855 -14.634 1.00 0.00 O ATOM 0 H SER A 47 -1.285 -1.071 -12.508 1.00 0.00 H new ATOM 0 HA SER A 47 1.556 -0.535 -12.591 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.181 -2.132 -14.027 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.073 -0.793 -15.128 1.00 0.00 H new ATOM 0 HG SER A 47 1.664 -2.463 -15.396 1.00 0.00 H new ATOM 704 N CYS A 48 -0.367 1.845 -12.968 1.00 0.00 N ATOM 705 CA CYS A 48 -0.532 3.243 -13.325 1.00 0.00 C ATOM 706 C CYS A 48 -0.317 4.089 -12.068 1.00 0.00 C ATOM 707 O CYS A 48 0.554 4.957 -12.042 1.00 0.00 O ATOM 708 CB CYS A 48 -1.898 3.507 -13.963 1.00 0.00 C ATOM 709 SG CYS A 48 -1.967 2.752 -15.628 1.00 0.00 S ATOM 0 H CYS A 48 -0.998 1.514 -12.239 1.00 0.00 H new ATOM 0 HA CYS A 48 0.207 3.518 -14.078 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.688 3.095 -13.335 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.074 4.580 -14.034 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.208 2.600 -15.984 1.00 0.00 H new ATOM 715 N MET A 49 -1.125 3.805 -11.057 1.00 0.00 N ATOM 716 CA MET A 49 -1.033 4.528 -9.800 1.00 0.00 C ATOM 717 C MET A 49 0.368 4.406 -9.198 1.00 0.00 C ATOM 718 O MET A 49 1.041 3.392 -9.382 1.00 0.00 O ATOM 719 CB MET A 49 -2.063 3.972 -8.815 1.00 0.00 C ATOM 720 CG MET A 49 -1.440 2.901 -7.917 1.00 0.00 C ATOM 721 SD MET A 49 -2.640 2.330 -6.725 1.00 0.00 S ATOM 722 CE MET A 49 -3.846 1.604 -7.822 1.00 0.00 C ATOM 0 H MET A 49 -1.846 3.084 -11.083 1.00 0.00 H new ATOM 0 HA MET A 49 -1.234 5.582 -9.993 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.458 4.781 -8.201 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.904 3.548 -9.363 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.091 2.065 -8.523 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.569 3.308 -7.403 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.514 0.958 -7.252 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.426 2.394 -8.299 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.336 1.016 -8.585 1.00 0.00 H new ATOM 732 N GLU A 50 0.767 5.453 -8.491 1.00 0.00 N ATOM 733 CA GLU A 50 2.076 5.475 -7.860 1.00 0.00 C ATOM 734 C GLU A 50 1.937 5.335 -6.343 1.00 0.00 C ATOM 735 O GLU A 50 0.882 5.630 -5.783 1.00 0.00 O ATOM 736 CB GLU A 50 2.839 6.751 -8.226 1.00 0.00 C ATOM 737 CG GLU A 50 4.307 6.444 -8.525 1.00 0.00 C ATOM 738 CD GLU A 50 4.450 5.674 -9.839 1.00 0.00 C ATOM 739 OE1 GLU A 50 3.874 6.149 -10.841 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.132 4.626 -9.811 1.00 0.00 O ATOM 0 H GLU A 50 0.207 6.292 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 50 2.651 4.627 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.377 7.219 -9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.773 7.466 -7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.872 7.374 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.734 5.860 -7.709 1.00 0.00 H new ATOM 747 N LEU A 51 3.017 4.885 -5.721 1.00 0.00 N ATOM 748 CA LEU A 51 3.028 4.703 -4.280 1.00 0.00 C ATOM 749 C LEU A 51 4.032 5.673 -3.655 1.00 0.00 C ATOM 750 O LEU A 51 4.886 6.222 -4.350 1.00 0.00 O ATOM 751 CB LEU A 51 3.289 3.237 -3.928 1.00 0.00 C ATOM 752 CG LEU A 51 2.170 2.253 -4.276 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.348 0.932 -3.527 1.00 0.00 C ATOM 754 CD2 LEU A 51 0.795 2.875 -4.022 1.00 0.00 C ATOM 0 H LEU A 51 3.890 4.641 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 51 2.051 4.940 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.198 2.918 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.484 3.170 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 51 2.231 2.029 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.539 0.251 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.304 0.485 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.328 1.117 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.017 2.155 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.707 3.146 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.680 3.767 -4.638 1.00 0.00 H new ATOM 766 N GLU A 52 3.897 5.856 -2.350 1.00 0.00 N ATOM 767 CA GLU A 52 4.782 6.751 -1.623 1.00 0.00 C ATOM 768 C GLU A 52 4.786 6.400 -0.134 1.00 0.00 C ATOM 769 O GLU A 52 3.746 6.069 0.432 1.00 0.00 O ATOM 770 CB GLU A 52 4.383 8.212 -1.841 1.00 0.00 C ATOM 771 CG GLU A 52 4.905 8.728 -3.183 1.00 0.00 C ATOM 772 CD GLU A 52 4.955 10.257 -3.200 1.00 0.00 C ATOM 773 OE1 GLU A 52 3.901 10.863 -2.909 1.00 0.00 O ATOM 774 OE2 GLU A 52 6.046 10.786 -3.504 1.00 0.00 O ATOM 0 H GLU A 52 3.188 5.400 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 52 5.793 6.623 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.297 8.305 -1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.780 8.826 -1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.901 8.326 -3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.262 8.373 -3.988 1.00 0.00 H new ATOM 781 N LEU A 53 5.969 6.483 0.457 1.00 0.00 N ATOM 782 CA LEU A 53 6.122 6.179 1.870 1.00 0.00 C ATOM 783 C LEU A 53 6.312 7.481 2.650 1.00 0.00 C ATOM 784 O LEU A 53 7.124 8.324 2.270 1.00 0.00 O ATOM 785 CB LEU A 53 7.250 5.166 2.080 1.00 0.00 C ATOM 786 CG LEU A 53 7.501 4.732 3.525 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.310 3.943 4.076 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.810 3.950 3.644 1.00 0.00 C ATOM 0 H LEU A 53 6.830 6.756 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 53 5.221 5.704 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.029 4.278 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.172 5.592 1.684 1.00 0.00 H new ATOM 0 HG LEU A 53 7.605 5.628 4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.515 3.647 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.417 4.567 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.150 3.053 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.964 3.654 4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.761 3.060 3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.640 4.578 3.319 1.00 0.00 H new ATOM 800 N TYR A 54 5.550 7.605 3.727 1.00 0.00 N ATOM 801 CA TYR A 54 5.625 8.790 4.564 1.00 0.00 C ATOM 802 C TYR A 54 5.989 8.422 6.004 1.00 0.00 C ATOM 803 O TYR A 54 5.673 7.328 6.468 1.00 0.00 O ATOM 804 CB TYR A 54 4.225 9.407 4.547 1.00 0.00 C ATOM 805 CG TYR A 54 3.782 9.905 3.169 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.472 8.999 2.175 1.00 0.00 C ATOM 807 CD2 TYR A 54 3.691 11.259 2.921 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.055 9.467 0.879 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.274 11.728 1.625 1.00 0.00 C ATOM 810 CZ TYR A 54 2.976 10.808 0.668 1.00 0.00 C ATOM 811 OH TYR A 54 2.582 11.251 -0.556 1.00 0.00 O ATOM 0 H TYR A 54 4.878 6.904 4.039 1.00 0.00 H new ATOM 0 HA TYR A 54 6.388 9.474 4.193 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.508 8.667 4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.197 10.240 5.249 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.542 7.939 2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.933 11.968 3.699 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.810 8.769 0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.200 12.785 1.418 1.00 0.00 H new ATOM 0 HH TYR A 54 3.237 10.975 -1.230 1.00 0.00 H new ATOM 821 N GLY A 55 6.649 9.358 6.671 1.00 0.00 N ATOM 822 CA GLY A 55 7.059 9.146 8.049 1.00 0.00 C ATOM 823 C GLY A 55 5.861 9.229 8.997 1.00 0.00 C ATOM 824 O GLY A 55 4.871 8.522 8.815 1.00 0.00 O ATOM 0 H GLY A 55 6.910 10.264 6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.536 8.170 8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.802 9.892 8.330 1.00 0.00 H new ATOM 828 N ALA A 56 5.991 10.099 9.988 1.00 0.00 N ATOM 829 CA ALA A 56 4.931 10.283 10.965 1.00 0.00 C ATOM 830 C ALA A 56 4.134 11.541 10.614 1.00 0.00 C ATOM 831 O ALA A 56 2.983 11.452 10.189 1.00 0.00 O ATOM 832 CB ALA A 56 5.536 10.349 12.368 1.00 0.00 C ATOM 0 H ALA A 56 6.814 10.684 10.135 1.00 0.00 H new ATOM 0 HA ALA A 56 4.241 9.439 10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.741 10.487 13.101 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.067 9.421 12.579 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.232 11.186 12.425 1.00 0.00 H new ATOM 838 N ASP A 57 4.777 12.683 10.806 1.00 0.00 N ATOM 839 CA ASP A 57 4.142 13.957 10.515 1.00 0.00 C ATOM 840 C ASP A 57 4.064 14.150 8.999 1.00 0.00 C ATOM 841 O ASP A 57 4.591 15.125 8.466 1.00 0.00 O ATOM 842 CB ASP A 57 4.947 15.120 11.099 1.00 0.00 C ATOM 843 CG ASP A 57 4.135 16.380 11.406 1.00 0.00 C ATOM 844 OD1 ASP A 57 2.891 16.285 11.330 1.00 0.00 O ATOM 845 OD2 ASP A 57 4.777 17.408 11.710 1.00 0.00 O ATOM 0 H ASP A 57 5.731 12.753 11.160 1.00 0.00 H new ATOM 0 HA ASP A 57 3.147 13.947 10.961 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.428 14.784 12.017 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.741 15.380 10.399 1.00 0.00 H new ATOM 850 N ASP A 58 3.403 13.204 8.348 1.00 0.00 N ATOM 851 CA ASP A 58 3.250 13.258 6.904 1.00 0.00 C ATOM 852 C ASP A 58 4.553 13.756 6.275 1.00 0.00 C ATOM 853 O ASP A 58 4.605 14.863 5.741 1.00 0.00 O ATOM 854 CB ASP A 58 2.132 14.223 6.504 1.00 0.00 C ATOM 855 CG ASP A 58 0.733 13.823 6.976 1.00 0.00 C ATOM 856 OD1 ASP A 58 0.473 12.601 7.009 1.00 0.00 O ATOM 857 OD2 ASP A 58 -0.045 14.748 7.292 1.00 0.00 O ATOM 0 H ASP A 58 2.968 12.396 8.794 1.00 0.00 H new ATOM 0 HA ASP A 58 3.003 12.256 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.365 15.210 6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.121 14.312 5.418 1.00 0.00 H new ATOM 862 N LYS A 59 5.573 12.915 6.360 1.00 0.00 N ATOM 863 CA LYS A 59 6.872 13.256 5.805 1.00 0.00 C ATOM 864 C LYS A 59 7.262 12.215 4.754 1.00 0.00 C ATOM 865 O LYS A 59 7.547 11.067 5.089 1.00 0.00 O ATOM 866 CB LYS A 59 7.905 13.420 6.922 1.00 0.00 C ATOM 867 CG LYS A 59 9.320 13.156 6.403 1.00 0.00 C ATOM 868 CD LYS A 59 10.351 13.302 7.524 1.00 0.00 C ATOM 869 CE LYS A 59 11.770 13.377 6.958 1.00 0.00 C ATOM 870 NZ LYS A 59 12.040 14.727 6.413 1.00 0.00 N ATOM 0 H LYS A 59 5.526 11.998 6.805 1.00 0.00 H new ATOM 0 HA LYS A 59 6.829 14.220 5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.846 14.428 7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.678 12.732 7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.375 12.152 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.552 13.853 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.139 14.201 8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.273 12.456 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.493 13.143 7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.895 12.630 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.045 14.803 6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.455 14.884 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.810 15.444 7.131 1.00 0.00 H new ATOM 884 N PHE A 60 7.263 12.655 3.504 1.00 0.00 N ATOM 885 CA PHE A 60 7.614 11.776 2.402 1.00 0.00 C ATOM 886 C PHE A 60 8.999 11.159 2.612 1.00 0.00 C ATOM 887 O PHE A 60 9.932 11.846 3.023 1.00 0.00 O ATOM 888 CB PHE A 60 7.638 12.634 1.136 1.00 0.00 C ATOM 889 CG PHE A 60 8.197 11.914 -0.094 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.494 10.900 -0.666 1.00 0.00 C ATOM 891 CD2 PHE A 60 9.396 12.289 -0.614 1.00 0.00 C ATOM 892 CE1 PHE A 60 8.012 10.232 -1.806 1.00 0.00 C ATOM 893 CE2 PHE A 60 9.915 11.620 -1.755 1.00 0.00 C ATOM 894 CZ PHE A 60 9.212 10.606 -2.327 1.00 0.00 C ATOM 0 H PHE A 60 7.026 13.609 3.230 1.00 0.00 H new ATOM 0 HA PHE A 60 6.891 10.963 2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.624 12.970 0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.236 13.526 1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.541 10.603 -0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.954 13.095 -0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.454 9.427 -2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.868 11.917 -2.168 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.606 10.098 -3.195 1.00 0.00 H new ATOM 904 N TYR A 61 9.087 9.870 2.320 1.00 0.00 N ATOM 905 CA TYR A 61 10.342 9.153 2.472 1.00 0.00 C ATOM 906 C TYR A 61 10.864 8.668 1.118 1.00 0.00 C ATOM 907 O TYR A 61 11.812 9.234 0.575 1.00 0.00 O ATOM 908 CB TYR A 61 10.030 7.938 3.349 1.00 0.00 C ATOM 909 CG TYR A 61 10.137 8.211 4.850 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.192 9.510 5.314 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.178 7.158 5.741 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.293 9.766 6.727 1.00 0.00 C ATOM 913 CE2 TYR A 61 10.279 7.415 7.155 1.00 0.00 C ATOM 914 CZ TYR A 61 10.331 8.706 7.578 1.00 0.00 C ATOM 915 OH TYR A 61 10.426 8.949 8.913 1.00 0.00 O ATOM 0 H TYR A 61 8.310 9.303 1.979 1.00 0.00 H new ATOM 0 HA TYR A 61 11.103 9.800 2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.022 7.590 3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 61 10.712 7.129 3.088 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.159 10.334 4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.134 6.142 5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.338 10.777 7.103 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.313 6.600 7.863 1.00 0.00 H new ATOM 0 HH TYR A 61 10.442 8.099 9.400 1.00 0.00 H new ATOM 925 N SER A 62 10.222 7.626 0.610 1.00 0.00 N ATOM 926 CA SER A 62 10.610 7.059 -0.670 1.00 0.00 C ATOM 927 C SER A 62 9.365 6.637 -1.454 1.00 0.00 C ATOM 928 O SER A 62 8.263 6.613 -0.909 1.00 0.00 O ATOM 929 CB SER A 62 11.549 5.866 -0.483 1.00 0.00 C ATOM 930 OG SER A 62 12.891 6.181 -0.847 1.00 0.00 O ATOM 0 H SER A 62 9.436 7.160 1.062 1.00 0.00 H new ATOM 0 HA SER A 62 11.146 7.823 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.522 5.543 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.197 5.029 -1.086 1.00 0.00 H new ATOM 0 HG SER A 62 13.460 5.394 -0.712 1.00 0.00 H new ATOM 936 N LYS A 63 9.584 6.313 -2.720 1.00 0.00 N ATOM 937 CA LYS A 63 8.494 5.893 -3.584 1.00 0.00 C ATOM 938 C LYS A 63 8.580 4.382 -3.808 1.00 0.00 C ATOM 939 O LYS A 63 9.613 3.873 -4.243 1.00 0.00 O ATOM 940 CB LYS A 63 8.491 6.708 -4.878 1.00 0.00 C ATOM 941 CG LYS A 63 8.949 8.145 -4.623 1.00 0.00 C ATOM 942 CD LYS A 63 10.472 8.224 -4.509 1.00 0.00 C ATOM 943 CE LYS A 63 11.011 9.470 -5.214 1.00 0.00 C ATOM 944 NZ LYS A 63 12.033 10.138 -4.377 1.00 0.00 N ATOM 0 H LYS A 63 10.500 6.333 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 63 7.533 6.091 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.148 6.238 -5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.489 6.713 -5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.608 8.788 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.492 8.519 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.761 8.243 -3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.920 7.332 -4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.444 9.193 -6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.193 10.161 -5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.508 10.877 -4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.576 10.568 -3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.734 9.438 -4.061 1.00 0.00 H new ATOM 958 N LEU A 64 7.483 3.706 -3.501 1.00 0.00 N ATOM 959 CA LEU A 64 7.422 2.263 -3.664 1.00 0.00 C ATOM 960 C LEU A 64 7.337 1.926 -5.154 1.00 0.00 C ATOM 961 O LEU A 64 6.344 1.361 -5.610 1.00 0.00 O ATOM 962 CB LEU A 64 6.277 1.679 -2.834 1.00 0.00 C ATOM 963 CG LEU A 64 6.572 1.450 -1.351 1.00 0.00 C ATOM 964 CD1 LEU A 64 7.818 2.223 -0.914 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.354 1.792 -0.490 1.00 0.00 C ATOM 0 H LEU A 64 6.629 4.131 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 64 8.331 1.797 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.419 2.347 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.983 0.727 -3.277 1.00 0.00 H new ATOM 0 HG LEU A 64 6.782 0.391 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.005 2.043 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.676 1.889 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.661 3.289 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.591 1.620 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.088 2.839 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.514 1.161 -0.780 1.00 0.00 H new ATOM 977 N ASP A 65 8.391 2.287 -5.871 1.00 0.00 N ATOM 978 CA ASP A 65 8.448 2.029 -7.300 1.00 0.00 C ATOM 979 C ASP A 65 8.842 0.570 -7.535 1.00 0.00 C ATOM 980 O ASP A 65 8.230 -0.118 -8.350 1.00 0.00 O ATOM 981 CB ASP A 65 9.493 2.917 -7.978 1.00 0.00 C ATOM 982 CG ASP A 65 9.763 2.590 -9.448 1.00 0.00 C ATOM 983 OD1 ASP A 65 10.219 1.454 -9.702 1.00 0.00 O ATOM 984 OD2 ASP A 65 9.507 3.483 -10.284 1.00 0.00 O ATOM 0 H ASP A 65 9.212 2.756 -5.489 1.00 0.00 H new ATOM 0 HA ASP A 65 7.466 2.243 -7.721 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.168 3.955 -7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.429 2.837 -7.426 1.00 0.00 H new ATOM 989 N GLN A 66 9.862 0.141 -6.807 1.00 0.00 N ATOM 990 CA GLN A 66 10.345 -1.224 -6.926 1.00 0.00 C ATOM 991 C GLN A 66 9.172 -2.205 -6.917 1.00 0.00 C ATOM 992 O GLN A 66 8.176 -1.980 -6.231 1.00 0.00 O ATOM 993 CB GLN A 66 11.343 -1.552 -5.814 1.00 0.00 C ATOM 994 CG GLN A 66 12.188 -2.774 -6.178 1.00 0.00 C ATOM 995 CD GLN A 66 13.021 -2.511 -7.434 1.00 0.00 C ATOM 996 OE1 GLN A 66 13.249 -1.381 -7.833 1.00 0.00 O ATOM 997 NE2 GLN A 66 13.460 -3.614 -8.033 1.00 0.00 N ATOM 0 H GLN A 66 10.368 0.715 -6.132 1.00 0.00 H new ATOM 0 HA GLN A 66 10.867 -1.322 -7.878 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.993 -0.695 -5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.807 -1.740 -4.884 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.847 -3.026 -5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.538 -3.634 -6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.232 -4.530 -7.646 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.024 -3.544 -8.880 1.00 0.00 H new ATOM 1006 N GLU A 67 9.328 -3.273 -7.686 1.00 0.00 N ATOM 1007 CA GLU A 67 8.293 -4.289 -7.774 1.00 0.00 C ATOM 1008 C GLU A 67 8.772 -5.591 -7.129 1.00 0.00 C ATOM 1009 O GLU A 67 7.969 -6.355 -6.595 1.00 0.00 O ATOM 1010 CB GLU A 67 7.873 -4.519 -9.227 1.00 0.00 C ATOM 1011 CG GLU A 67 7.124 -3.305 -9.780 1.00 0.00 C ATOM 1012 CD GLU A 67 7.401 -3.123 -11.274 1.00 0.00 C ATOM 1013 OE1 GLU A 67 6.978 -4.014 -12.042 1.00 0.00 O ATOM 1014 OE2 GLU A 67 8.029 -2.098 -11.614 1.00 0.00 O ATOM 0 H GLU A 67 10.155 -3.457 -8.254 1.00 0.00 H new ATOM 0 HA GLU A 67 7.417 -3.937 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.754 -4.716 -9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.238 -5.402 -9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.053 -3.429 -9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.427 -2.409 -9.239 1.00 0.00 H new ATOM 1021 N ASP A 68 10.078 -5.804 -7.200 1.00 0.00 N ATOM 1022 CA ASP A 68 10.673 -7.001 -6.629 1.00 0.00 C ATOM 1023 C ASP A 68 10.930 -6.776 -5.138 1.00 0.00 C ATOM 1024 O ASP A 68 11.462 -7.652 -4.457 1.00 0.00 O ATOM 1025 CB ASP A 68 12.011 -7.323 -7.297 1.00 0.00 C ATOM 1026 CG ASP A 68 11.958 -8.432 -8.350 1.00 0.00 C ATOM 1027 OD1 ASP A 68 11.189 -9.391 -8.125 1.00 0.00 O ATOM 1028 OD2 ASP A 68 12.688 -8.295 -9.355 1.00 0.00 O ATOM 0 H ASP A 68 10.741 -5.168 -7.644 1.00 0.00 H new ATOM 0 HA ASP A 68 9.983 -7.830 -6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.394 -6.416 -7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.726 -7.609 -6.525 1.00 0.00 H new ATOM 1033 N ALA A 69 10.541 -5.597 -4.674 1.00 0.00 N ATOM 1034 CA ALA A 69 10.724 -5.246 -3.276 1.00 0.00 C ATOM 1035 C ALA A 69 9.574 -5.831 -2.453 1.00 0.00 C ATOM 1036 O ALA A 69 8.660 -6.443 -3.005 1.00 0.00 O ATOM 1037 CB ALA A 69 10.823 -3.725 -3.140 1.00 0.00 C ATOM 0 H ALA A 69 10.100 -4.873 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 69 11.653 -5.669 -2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.960 -3.462 -2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.672 -3.362 -3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.907 -3.266 -3.512 1.00 0.00 H new ATOM 1043 N LEU A 70 9.657 -5.624 -1.148 1.00 0.00 N ATOM 1044 CA LEU A 70 8.635 -6.123 -0.244 1.00 0.00 C ATOM 1045 C LEU A 70 8.355 -5.072 0.833 1.00 0.00 C ATOM 1046 O LEU A 70 9.229 -4.275 1.169 1.00 0.00 O ATOM 1047 CB LEU A 70 9.038 -7.487 0.319 1.00 0.00 C ATOM 1048 CG LEU A 70 9.638 -8.476 -0.683 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.638 -9.411 0.001 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.540 -9.248 -1.416 1.00 0.00 C ATOM 0 H LEU A 70 10.417 -5.117 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 70 7.700 -6.288 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.760 -7.328 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.158 -7.946 0.770 1.00 0.00 H new ATOM 0 HG LEU A 70 10.189 -7.910 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.049 -10.104 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.445 -8.823 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.132 -9.973 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.994 -9.944 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.941 -9.803 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.902 -8.548 -1.956 1.00 0.00 H new ATOM 1062 N LEU A 71 7.132 -5.105 1.342 1.00 0.00 N ATOM 1063 CA LEU A 71 6.726 -4.166 2.374 1.00 0.00 C ATOM 1064 C LEU A 71 7.524 -4.439 3.650 1.00 0.00 C ATOM 1065 O LEU A 71 7.345 -5.474 4.289 1.00 0.00 O ATOM 1066 CB LEU A 71 5.210 -4.213 2.574 1.00 0.00 C ATOM 1067 CG LEU A 71 4.453 -2.917 2.278 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.978 -3.043 2.666 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.124 -1.722 2.958 1.00 0.00 C ATOM 0 H LEU A 71 6.409 -5.767 1.059 1.00 0.00 H new ATOM 0 HA LEU A 71 6.953 -3.144 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.804 -5.000 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.009 -4.500 3.606 1.00 0.00 H new ATOM 0 HG LEU A 71 4.490 -2.738 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.463 -2.108 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.520 -3.853 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.899 -3.258 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.566 -0.814 2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.140 -1.879 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.145 -1.621 2.591 1.00 0.00 H new ATOM 1081 N GLY A 72 8.389 -3.492 3.983 1.00 0.00 N ATOM 1082 CA GLY A 72 9.216 -3.618 5.171 1.00 0.00 C ATOM 1083 C GLY A 72 10.630 -3.095 4.913 1.00 0.00 C ATOM 1084 O GLY A 72 11.108 -2.210 5.621 1.00 0.00 O ATOM 0 H GLY A 72 8.535 -2.634 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.764 -3.064 5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.261 -4.663 5.478 1.00 0.00 H new ATOM 1088 N SER A 73 11.261 -3.666 3.897 1.00 0.00 N ATOM 1089 CA SER A 73 12.611 -3.269 3.536 1.00 0.00 C ATOM 1090 C SER A 73 12.729 -1.743 3.548 1.00 0.00 C ATOM 1091 O SER A 73 13.813 -1.203 3.763 1.00 0.00 O ATOM 1092 CB SER A 73 12.999 -3.820 2.162 1.00 0.00 C ATOM 1093 OG SER A 73 14.295 -4.413 2.172 1.00 0.00 O ATOM 0 H SER A 73 10.862 -4.401 3.313 1.00 0.00 H new ATOM 0 HA SER A 73 13.298 -3.686 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 73 12.264 -4.561 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.974 -3.015 1.428 1.00 0.00 H new ATOM 0 HG SER A 73 14.505 -4.754 1.278 1.00 0.00 H new ATOM 1099 N TYR A 74 11.599 -1.092 3.316 1.00 0.00 N ATOM 1100 CA TYR A 74 11.562 0.360 3.297 1.00 0.00 C ATOM 1101 C TYR A 74 11.347 0.921 4.705 1.00 0.00 C ATOM 1102 O TYR A 74 11.013 0.180 5.628 1.00 0.00 O ATOM 1103 CB TYR A 74 10.367 0.741 2.422 1.00 0.00 C ATOM 1104 CG TYR A 74 10.599 0.528 0.924 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.168 1.530 0.165 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.241 -0.667 0.333 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.387 1.330 -1.244 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.460 -0.867 -1.076 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.022 0.141 -1.795 1.00 0.00 C ATOM 1110 OH TYR A 74 11.229 -0.048 -3.126 1.00 0.00 O ATOM 0 H TYR A 74 10.702 -1.544 3.139 1.00 0.00 H new ATOM 0 HA TYR A 74 12.502 0.763 2.919 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.501 0.155 2.732 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.122 1.789 2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.449 2.464 0.628 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.797 -1.452 0.927 1.00 0.00 H new ATOM 0 HE1 TYR A 74 11.831 2.106 -1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.184 -1.797 -1.551 1.00 0.00 H new ATOM 0 HH TYR A 74 12.008 0.472 -3.413 1.00 0.00 H new ATOM 1120 N PRO A 75 11.554 2.260 4.827 1.00 0.00 N ATOM 1121 CA PRO A 75 11.386 2.928 6.107 1.00 0.00 C ATOM 1122 C PRO A 75 9.904 3.090 6.451 1.00 0.00 C ATOM 1123 O PRO A 75 9.433 4.204 6.673 1.00 0.00 O ATOM 1124 CB PRO A 75 12.109 4.257 5.954 1.00 0.00 C ATOM 1125 CG PRO A 75 12.254 4.482 4.458 1.00 0.00 C ATOM 1126 CD PRO A 75 11.951 3.169 3.756 1.00 0.00 C ATOM 0 HA PRO A 75 11.801 2.357 6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.543 5.065 6.418 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.084 4.230 6.441 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.570 5.261 4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.263 4.818 4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.155 3.287 3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.824 2.795 3.222 1.00 0.00 H new ATOM 1134 N VAL A 76 9.210 1.962 6.483 1.00 0.00 N ATOM 1135 CA VAL A 76 7.792 1.965 6.796 1.00 0.00 C ATOM 1136 C VAL A 76 7.590 1.485 8.235 1.00 0.00 C ATOM 1137 O VAL A 76 8.555 1.156 8.924 1.00 0.00 O ATOM 1138 CB VAL A 76 7.028 1.121 5.773 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.213 -0.373 6.047 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.545 1.496 5.751 1.00 0.00 C ATOM 0 H VAL A 76 9.604 1.040 6.297 1.00 0.00 H new ATOM 0 HA VAL A 76 7.389 2.976 6.730 1.00 0.00 H new ATOM 0 HB VAL A 76 7.441 1.334 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.660 -0.950 5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.272 -0.626 5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.839 -0.609 7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.025 0.882 5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.112 1.326 6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.440 2.548 5.485 1.00 0.00 H new ATOM 1150 N ASP A 77 6.331 1.461 8.647 1.00 0.00 N ATOM 1151 CA ASP A 77 5.991 1.028 9.991 1.00 0.00 C ATOM 1152 C ASP A 77 4.469 0.987 10.139 1.00 0.00 C ATOM 1153 O ASP A 77 3.748 1.590 9.345 1.00 0.00 O ATOM 1154 CB ASP A 77 6.542 1.997 11.038 1.00 0.00 C ATOM 1155 CG ASP A 77 6.682 1.417 12.447 1.00 0.00 C ATOM 1156 OD1 ASP A 77 7.040 0.222 12.535 1.00 0.00 O ATOM 1157 OD2 ASP A 77 6.428 2.181 13.403 1.00 0.00 O ATOM 0 H ASP A 77 5.534 1.735 8.073 1.00 0.00 H new ATOM 0 HA ASP A 77 6.428 0.042 10.148 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.520 2.348 10.707 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.889 2.869 11.084 1.00 0.00 H new ATOM 1162 N ASP A 78 4.025 0.271 11.162 1.00 0.00 N ATOM 1163 CA ASP A 78 2.601 0.144 11.424 1.00 0.00 C ATOM 1164 C ASP A 78 2.051 1.493 11.890 1.00 0.00 C ATOM 1165 O ASP A 78 2.037 1.783 13.085 1.00 0.00 O ATOM 1166 CB ASP A 78 2.334 -0.882 12.528 1.00 0.00 C ATOM 1167 CG ASP A 78 3.356 -0.887 13.667 1.00 0.00 C ATOM 1168 OD1 ASP A 78 3.747 0.225 14.083 1.00 0.00 O ATOM 1169 OD2 ASP A 78 3.722 -2.003 14.096 1.00 0.00 O ATOM 0 H ASP A 78 4.626 -0.227 11.819 1.00 0.00 H new ATOM 0 HA ASP A 78 2.116 -0.181 10.504 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.346 -0.693 12.947 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.306 -1.876 12.081 1.00 0.00 H new ATOM 1174 N GLY A 79 1.610 2.282 10.921 1.00 0.00 N ATOM 1175 CA GLY A 79 1.059 3.594 11.217 1.00 0.00 C ATOM 1176 C GLY A 79 1.436 4.604 10.131 1.00 0.00 C ATOM 1177 O GLY A 79 0.843 5.678 10.045 1.00 0.00 O ATOM 0 H GLY A 79 1.623 2.038 9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.026 3.527 11.296 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.428 3.938 12.183 1.00 0.00 H new ATOM 1181 N CYS A 80 2.419 4.223 9.328 1.00 0.00 N ATOM 1182 CA CYS A 80 2.881 5.082 8.251 1.00 0.00 C ATOM 1183 C CYS A 80 1.690 5.401 7.346 1.00 0.00 C ATOM 1184 O CYS A 80 0.549 5.088 7.682 1.00 0.00 O ATOM 1185 CB CYS A 80 4.034 4.443 7.474 1.00 0.00 C ATOM 1186 SG CYS A 80 5.636 5.044 8.124 1.00 0.00 S ATOM 0 H CYS A 80 2.908 3.331 9.402 1.00 0.00 H new ATOM 0 HA CYS A 80 3.278 6.008 8.666 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.982 3.357 7.558 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.948 4.685 6.415 1.00 0.00 H new ATOM 0 HG CYS A 80 6.031 6.067 7.426 1.00 0.00 H new ATOM 1192 N ARG A 81 1.996 6.021 6.215 1.00 0.00 N ATOM 1193 CA ARG A 81 0.965 6.386 5.259 1.00 0.00 C ATOM 1194 C ARG A 81 1.422 6.062 3.836 1.00 0.00 C ATOM 1195 O ARG A 81 2.575 6.303 3.480 1.00 0.00 O ATOM 1196 CB ARG A 81 0.629 7.875 5.353 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.490 8.248 4.378 1.00 0.00 C ATOM 1198 CD ARG A 81 -0.786 9.748 4.430 1.00 0.00 C ATOM 1199 NE ARG A 81 -0.134 10.433 3.292 1.00 0.00 N ATOM 1200 CZ ARG A 81 -0.374 11.703 2.942 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -1.253 12.436 3.639 1.00 0.00 N ATOM 1202 NH2 ARG A 81 0.264 12.242 1.893 1.00 0.00 N ATOM 0 H ARG A 81 2.944 6.280 5.940 1.00 0.00 H new ATOM 0 HA ARG A 81 0.072 5.808 5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.325 8.119 6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.518 8.466 5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.204 7.965 3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.392 7.687 4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.863 9.916 4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.427 10.165 5.371 1.00 0.00 H new ATOM 0 HE ARG A 81 0.541 9.904 2.739 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.740 12.027 4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.435 13.403 3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.932 11.685 1.361 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.081 13.209 1.627 1.00 0.00 H new ATOM 1216 N ILE A 82 0.495 5.521 3.059 1.00 0.00 N ATOM 1217 CA ILE A 82 0.788 5.162 1.682 1.00 0.00 C ATOM 1218 C ILE A 82 -0.110 5.972 0.746 1.00 0.00 C ATOM 1219 O ILE A 82 -1.275 5.631 0.548 1.00 0.00 O ATOM 1220 CB ILE A 82 0.674 3.648 1.487 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.475 2.896 2.552 1.00 0.00 C ATOM 1222 CG2 ILE A 82 1.086 3.246 0.070 1.00 0.00 C ATOM 1223 CD1 ILE A 82 2.965 2.877 2.206 1.00 0.00 C ATOM 0 H ILE A 82 -0.460 5.323 3.357 1.00 0.00 H new ATOM 0 HA ILE A 82 1.819 5.415 1.433 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.371 3.365 1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.330 3.369 3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.105 1.874 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.996 2.166 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.437 3.741 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.119 3.544 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.511 2.336 2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.109 2.381 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.338 3.900 2.146 1.00 0.00 H new ATOM 1235 N HIS A 83 0.466 7.029 0.193 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.268 7.891 -0.718 1.00 0.00 C ATOM 1237 C HIS A 83 -0.260 7.280 -2.121 1.00 0.00 C ATOM 1238 O HIS A 83 0.789 6.875 -2.620 1.00 0.00 O ATOM 1239 CB HIS A 83 0.292 9.315 -0.689 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.595 10.337 -1.359 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.802 10.750 -0.822 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.438 11.025 -2.526 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.339 11.645 -1.637 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.492 11.814 -2.693 1.00 0.00 N ATOM 0 H HIS A 83 1.433 7.308 0.358 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.307 7.965 -0.397 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.451 9.611 0.348 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.267 9.321 -1.175 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.402 10.942 -3.200 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.281 12.152 -1.491 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.644 12.443 -3.481 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.443 7.232 -2.717 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.585 6.677 -4.052 1.00 0.00 C ATOM 1254 C VAL A 84 -1.899 7.804 -5.038 1.00 0.00 C ATOM 1255 O VAL A 84 -2.914 8.486 -4.904 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.645 5.573 -4.049 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.961 5.113 -5.474 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.208 4.395 -3.176 1.00 0.00 C ATOM 0 H VAL A 84 -2.311 7.568 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.652 6.214 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.558 5.986 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.717 4.328 -5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.336 5.956 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.055 4.726 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.979 3.625 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.276 3.983 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.057 4.737 -2.152 1.00 0.00 H new ATOM 1268 N ILE A 85 -1.008 7.965 -6.005 1.00 0.00 N ATOM 1269 CA ILE A 85 -1.177 8.998 -7.013 1.00 0.00 C ATOM 1270 C ILE A 85 -2.020 8.448 -8.165 1.00 0.00 C ATOM 1271 O ILE A 85 -1.520 7.697 -9.001 1.00 0.00 O ATOM 1272 CB ILE A 85 0.182 9.546 -7.453 1.00 0.00 C ATOM 1273 CG1 ILE A 85 0.949 10.130 -6.264 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.024 10.560 -8.587 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.447 10.209 -6.563 1.00 0.00 C ATOM 0 H ILE A 85 -0.167 7.398 -6.112 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.719 9.848 -6.599 1.00 0.00 H new ATOM 0 HB ILE A 85 0.774 8.718 -7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.568 11.125 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.783 9.513 -5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.005 10.934 -8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.452 10.079 -9.442 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.594 11.391 -8.248 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.968 10.627 -5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.830 9.210 -6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.612 10.847 -7.432 1.00 0.00 H new ATOM 1287 N ASP A 86 -3.285 8.844 -8.172 1.00 0.00 N ATOM 1288 CA ASP A 86 -4.202 8.399 -9.208 1.00 0.00 C ATOM 1289 C ASP A 86 -3.610 8.725 -10.581 1.00 0.00 C ATOM 1290 O ASP A 86 -3.620 9.880 -11.007 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.550 9.113 -9.093 1.00 0.00 C ATOM 1292 CG ASP A 86 -6.650 8.570 -10.008 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -6.815 7.331 -10.023 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -7.299 9.405 -10.672 1.00 0.00 O ATOM 0 H ASP A 86 -3.696 9.468 -7.477 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.351 7.326 -9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.892 9.047 -8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.404 10.170 -9.314 1.00 0.00 H new ATOM 1299 N HIS A 87 -3.110 7.688 -11.236 1.00 0.00 N ATOM 1300 CA HIS A 87 -2.516 7.850 -12.552 1.00 0.00 C ATOM 1301 C HIS A 87 -3.513 7.405 -13.624 1.00 0.00 C ATOM 1302 O HIS A 87 -3.195 7.406 -14.812 1.00 0.00 O ATOM 1303 CB HIS A 87 -1.180 7.108 -12.640 1.00 0.00 C ATOM 1304 CG HIS A 87 0.027 7.993 -12.444 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.299 9.081 -13.254 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.031 7.940 -11.522 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.418 9.649 -12.831 1.00 0.00 C ATOM 1308 NE2 HIS A 87 1.871 8.940 -11.757 1.00 0.00 N ATOM 0 H HIS A 87 -3.104 6.732 -10.880 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.293 8.903 -12.727 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.165 6.318 -11.889 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.108 6.624 -13.614 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.126 7.208 -10.734 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.889 10.521 -13.261 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.716 9.145 -11.223 1.00 0.00 H new