USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=24 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 14 SER OG : rot 178:sc= -2.08! USER MOD Set 1.2: A 17 ASN : amide:sc= -1.92! C(o=-4!,f=-6.3!) USER MOD Set 2.1: A 13 SER OG : rot 123:sc= -0.654 USER MOD Set 2.2: A 83 HIS : no HD1:sc= 0.439 K(o=-0.22,f=-1.6) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 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= -0.279 USER MOD Single : A 26 SER OG : rot 180:sc= 0.088 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 170:sc= -1.65 USER MOD Single : A 35 LYS NZ :NH3+ 176:sc=-0.00902 (180deg=-0.019) USER MOD Single : A 36 CYS SG : rot 20:sc= 1.27 USER MOD Single : A 37 LYS NZ :NH3+ -119:sc= -1.55 (180deg=-3.78!) USER MOD Single : A 44 SER OG : rot -154:sc= -0.154 USER MOD Single : A 47 SER OG : rot 35:sc= 0.688! USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -179:sc= -4.67! (180deg=-4.68!) USER MOD Single : A 54 TYR OH : rot 5:sc= 0.801 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 157:sc= -0.0349 (180deg=-0.515) USER MOD Single : A 66 GLN : amide:sc= -0.0125 X(o=-0.013,f=-0.43) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.221 USER MOD Single : A 80 CYS SG : rot -78:sc= 0.867 USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.467 F(o=-1.2,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 1.235 -8.908 10.077 1.00 0.00 N ATOM 60 CA GLY A 7 0.765 -7.849 9.201 1.00 0.00 C ATOM 61 C GLY A 7 1.135 -6.472 9.758 1.00 0.00 C ATOM 62 O GLY A 7 1.465 -6.344 10.936 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.200 -7.973 8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.317 -7.920 9.086 1.00 0.00 H new ATOM 66 N VAL A 8 1.067 -5.478 8.884 1.00 0.00 N ATOM 67 CA VAL A 8 1.391 -4.116 9.274 1.00 0.00 C ATOM 68 C VAL A 8 0.261 -3.183 8.835 1.00 0.00 C ATOM 69 O VAL A 8 -0.154 -3.207 7.677 1.00 0.00 O ATOM 70 CB VAL A 8 2.753 -3.718 8.702 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.869 -3.966 9.719 1.00 0.00 C ATOM 72 CG2 VAL A 8 3.033 -4.453 7.390 1.00 0.00 C ATOM 0 H VAL A 8 0.793 -5.589 7.908 1.00 0.00 H new ATOM 0 HA VAL A 8 1.474 -4.038 10.358 1.00 0.00 H new ATOM 0 HB VAL A 8 2.727 -2.650 8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.826 -3.675 9.287 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.681 -3.376 10.616 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.895 -5.024 9.979 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.007 -4.152 7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.030 -5.528 7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.262 -4.203 6.661 1.00 0.00 H new ATOM 82 N MET A 9 -0.204 -2.382 9.782 1.00 0.00 N ATOM 83 CA MET A 9 -1.278 -1.442 9.508 1.00 0.00 C ATOM 84 C MET A 9 -0.729 -0.138 8.925 1.00 0.00 C ATOM 85 O MET A 9 0.033 0.568 9.583 1.00 0.00 O ATOM 86 CB MET A 9 -2.038 -1.143 10.801 1.00 0.00 C ATOM 87 CG MET A 9 -3.200 -2.121 10.992 1.00 0.00 C ATOM 88 SD MET A 9 -3.369 -2.537 12.720 1.00 0.00 S ATOM 89 CE MET A 9 -4.689 -1.426 13.178 1.00 0.00 C ATOM 0 H MET A 9 0.143 -2.364 10.741 1.00 0.00 H new ATOM 0 HA MET A 9 -1.951 -1.891 8.777 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.358 -1.210 11.650 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.418 -0.122 10.776 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.125 -1.676 10.624 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.026 -3.024 10.407 1.00 0.00 H new ATOM 0 HE1 MET A 9 -4.923 -1.555 14.235 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.377 -0.397 12.999 1.00 0.00 H new ATOM 0 HE3 MET A 9 -5.574 -1.646 12.581 1.00 0.00 H new ATOM 99 N VAL A 10 -1.137 0.141 7.696 1.00 0.00 N ATOM 100 CA VAL A 10 -0.696 1.348 7.017 1.00 0.00 C ATOM 101 C VAL A 10 -1.919 2.146 6.559 1.00 0.00 C ATOM 102 O VAL A 10 -2.970 1.572 6.280 1.00 0.00 O ATOM 103 CB VAL A 10 0.246 0.986 5.867 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.403 0.114 6.360 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.514 0.299 4.731 1.00 0.00 C ATOM 0 H VAL A 10 -1.768 -0.448 7.153 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.129 1.984 7.697 1.00 0.00 H new ATOM 0 HB VAL A 10 0.668 1.912 5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.058 -0.129 5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.969 0.655 7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.007 -0.806 6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.179 0.052 3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.977 -0.615 5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.286 0.969 4.352 1.00 0.00 H new ATOM 115 N PHE A 11 -1.740 3.457 6.497 1.00 0.00 N ATOM 116 CA PHE A 11 -2.815 4.340 6.078 1.00 0.00 C ATOM 117 C PHE A 11 -2.762 4.591 4.570 1.00 0.00 C ATOM 118 O PHE A 11 -1.936 5.368 4.094 1.00 0.00 O ATOM 119 CB PHE A 11 -2.614 5.668 6.811 1.00 0.00 C ATOM 120 CG PHE A 11 -3.281 5.727 8.187 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.633 5.840 8.283 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.522 5.666 9.314 1.00 0.00 C ATOM 123 CE1 PHE A 11 -5.252 5.894 9.560 1.00 0.00 C ATOM 124 CE2 PHE A 11 -3.141 5.720 10.591 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.493 5.833 10.687 1.00 0.00 C ATOM 0 H PHE A 11 -0.866 3.929 6.730 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.779 3.888 6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.545 5.848 6.929 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.007 6.475 6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.236 5.889 7.388 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.448 5.576 9.238 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.326 5.984 9.636 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.538 5.671 11.486 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.964 5.874 11.658 1.00 0.00 H new ATOM 135 N ILE A 12 -3.656 3.919 3.859 1.00 0.00 N ATOM 136 CA ILE A 12 -3.722 4.059 2.414 1.00 0.00 C ATOM 137 C ILE A 12 -4.570 5.283 2.063 1.00 0.00 C ATOM 138 O ILE A 12 -5.636 5.490 2.640 1.00 0.00 O ATOM 139 CB ILE A 12 -4.218 2.762 1.772 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.497 1.548 2.361 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.092 2.821 0.249 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.087 1.414 1.782 1.00 0.00 C ATOM 0 H ILE A 12 -4.341 3.276 4.257 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.728 4.231 2.002 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.277 2.650 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.441 1.644 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.068 0.644 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.451 1.887 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.688 3.650 -0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.047 2.968 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.596 0.543 2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.148 1.293 0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.511 2.310 2.015 1.00 0.00 H new ATOM 154 N SER A 13 -4.064 6.062 1.119 1.00 0.00 N ATOM 155 CA SER A 13 -4.762 7.260 0.684 1.00 0.00 C ATOM 156 C SER A 13 -4.753 7.346 -0.844 1.00 0.00 C ATOM 157 O SER A 13 -4.237 6.454 -1.516 1.00 0.00 O ATOM 158 CB SER A 13 -4.131 8.516 1.289 1.00 0.00 C ATOM 159 OG SER A 13 -2.732 8.358 1.507 1.00 0.00 O ATOM 0 H SER A 13 -3.179 5.887 0.643 1.00 0.00 H new ATOM 0 HA SER A 13 -5.793 7.200 1.032 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.301 9.363 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.621 8.749 2.234 1.00 0.00 H new ATOM 0 HG SER A 13 -2.245 9.064 1.033 1.00 0.00 H new ATOM 165 N SER A 14 -5.330 8.427 -1.347 1.00 0.00 N ATOM 166 CA SER A 14 -5.394 8.641 -2.783 1.00 0.00 C ATOM 167 C SER A 14 -5.899 10.054 -3.080 1.00 0.00 C ATOM 168 O SER A 14 -6.494 10.698 -2.217 1.00 0.00 O ATOM 169 CB SER A 14 -6.297 7.603 -3.454 1.00 0.00 C ATOM 170 OG SER A 14 -7.583 8.134 -3.764 1.00 0.00 O ATOM 0 H SER A 14 -5.757 9.164 -0.786 1.00 0.00 H new ATOM 0 HA SER A 14 -4.389 8.528 -3.191 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.822 7.246 -4.368 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.410 6.741 -2.796 1.00 0.00 H new ATOM 0 HG SER A 14 -8.118 7.451 -4.220 1.00 0.00 H new ATOM 176 N SER A 15 -5.644 10.495 -4.303 1.00 0.00 N ATOM 177 CA SER A 15 -6.065 11.820 -4.724 1.00 0.00 C ATOM 178 C SER A 15 -7.530 11.789 -5.163 1.00 0.00 C ATOM 179 O SER A 15 -8.167 12.834 -5.285 1.00 0.00 O ATOM 180 CB SER A 15 -5.182 12.344 -5.858 1.00 0.00 C ATOM 181 OG SER A 15 -4.610 13.612 -5.548 1.00 0.00 O ATOM 0 H SER A 15 -5.151 9.958 -5.016 1.00 0.00 H new ATOM 0 HA SER A 15 -5.961 12.497 -3.876 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.386 11.627 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.774 12.427 -6.770 1.00 0.00 H new ATOM 0 HG SER A 15 -4.052 13.911 -6.296 1.00 0.00 H new ATOM 187 N LEU A 16 -8.021 10.579 -5.388 1.00 0.00 N ATOM 188 CA LEU A 16 -9.400 10.398 -5.811 1.00 0.00 C ATOM 189 C LEU A 16 -10.335 10.759 -4.655 1.00 0.00 C ATOM 190 O LEU A 16 -11.112 11.707 -4.754 1.00 0.00 O ATOM 191 CB LEU A 16 -9.612 8.984 -6.355 1.00 0.00 C ATOM 192 CG LEU A 16 -8.709 8.570 -7.519 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.051 7.216 -7.248 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.479 8.579 -8.840 1.00 0.00 C ATOM 0 H LEU A 16 -7.489 9.715 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.637 11.071 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.466 8.277 -5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.650 8.891 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.909 9.304 -7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.415 6.945 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.447 7.280 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.822 6.457 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.814 8.281 -9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.313 7.880 -8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.859 9.582 -9.033 1.00 0.00 H new ATOM 206 N ASN A 17 -10.229 9.984 -3.586 1.00 0.00 N ATOM 207 CA ASN A 17 -11.055 10.210 -2.413 1.00 0.00 C ATOM 208 C ASN A 17 -10.546 11.445 -1.665 1.00 0.00 C ATOM 209 O ASN A 17 -11.335 12.213 -1.119 1.00 0.00 O ATOM 210 CB ASN A 17 -10.991 9.018 -1.455 1.00 0.00 C ATOM 211 CG ASN A 17 -9.555 8.515 -1.302 1.00 0.00 C ATOM 212 OD1 ASN A 17 -8.758 9.054 -0.551 1.00 0.00 O ATOM 213 ND2 ASN A 17 -9.270 7.455 -2.052 1.00 0.00 N ATOM 0 H ASN A 17 -9.583 9.198 -3.508 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.083 10.349 -2.747 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.384 9.308 -0.481 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.624 8.213 -1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.337 7.044 -2.020 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.984 7.053 -2.659 1.00 0.00 H new ATOM 220 N SER A 18 -9.230 11.596 -1.666 1.00 0.00 N ATOM 221 CA SER A 18 -8.606 12.723 -0.995 1.00 0.00 C ATOM 222 C SER A 18 -8.697 12.545 0.522 1.00 0.00 C ATOM 223 O SER A 18 -8.808 13.524 1.259 1.00 0.00 O ATOM 224 CB SER A 18 -9.256 14.043 -1.415 1.00 0.00 C ATOM 225 OG SER A 18 -8.372 14.853 -2.185 1.00 0.00 O ATOM 0 H SER A 18 -8.579 10.956 -2.121 1.00 0.00 H new ATOM 0 HA SER A 18 -7.557 12.757 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.155 13.836 -1.995 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.569 14.592 -0.527 1.00 0.00 H new ATOM 0 HG SER A 18 -8.825 15.685 -2.435 1.00 0.00 H new ATOM 231 N PHE A 19 -8.646 11.290 0.943 1.00 0.00 N ATOM 232 CA PHE A 19 -8.722 10.972 2.358 1.00 0.00 C ATOM 233 C PHE A 19 -7.822 9.783 2.702 1.00 0.00 C ATOM 234 O PHE A 19 -7.256 9.151 1.811 1.00 0.00 O ATOM 235 CB PHE A 19 -10.175 10.598 2.656 1.00 0.00 C ATOM 236 CG PHE A 19 -10.600 10.855 4.103 1.00 0.00 C ATOM 237 CD1 PHE A 19 -10.977 12.103 4.489 1.00 0.00 C ATOM 238 CD2 PHE A 19 -10.601 9.835 5.003 1.00 0.00 C ATOM 239 CE1 PHE A 19 -11.372 12.342 5.832 1.00 0.00 C ATOM 240 CE2 PHE A 19 -10.995 10.074 6.346 1.00 0.00 C ATOM 241 CZ PHE A 19 -11.372 11.322 6.732 1.00 0.00 C ATOM 0 H PHE A 19 -8.553 10.481 0.329 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.392 11.827 2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.828 11.162 1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.322 9.542 2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.976 12.913 3.774 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.302 8.844 4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.672 13.333 6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.995 9.264 7.061 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.672 11.504 7.754 1.00 0.00 H new ATOM 251 N ARG A 20 -7.717 9.516 3.995 1.00 0.00 N ATOM 252 CA ARG A 20 -6.895 8.414 4.467 1.00 0.00 C ATOM 253 C ARG A 20 -7.774 7.221 4.849 1.00 0.00 C ATOM 254 O ARG A 20 -8.735 7.370 5.602 1.00 0.00 O ATOM 255 CB ARG A 20 -6.059 8.831 5.679 1.00 0.00 C ATOM 256 CG ARG A 20 -4.976 9.834 5.279 1.00 0.00 C ATOM 257 CD ARG A 20 -5.517 11.265 5.306 1.00 0.00 C ATOM 258 NE ARG A 20 -4.536 12.189 4.694 1.00 0.00 N ATOM 259 CZ ARG A 20 -4.694 13.518 4.631 1.00 0.00 C ATOM 260 NH1 ARG A 20 -5.795 14.087 5.140 1.00 0.00 N ATOM 261 NH2 ARG A 20 -3.751 14.278 4.057 1.00 0.00 N ATOM 0 H ARG A 20 -8.187 10.043 4.731 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.224 8.130 3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.706 9.272 6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.597 7.951 6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.128 9.749 5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.609 9.599 4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.462 11.315 4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.721 11.566 6.334 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.687 11.789 4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.513 13.508 5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.915 15.099 5.092 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.913 13.845 3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.871 15.290 4.009 1.00 0.00 H new ATOM 275 N SER A 21 -7.413 6.065 4.311 1.00 0.00 N ATOM 276 CA SER A 21 -8.157 4.848 4.586 1.00 0.00 C ATOM 277 C SER A 21 -7.383 3.973 5.574 1.00 0.00 C ATOM 278 O SER A 21 -6.232 4.264 5.896 1.00 0.00 O ATOM 279 CB SER A 21 -8.439 4.072 3.298 1.00 0.00 C ATOM 280 OG SER A 21 -9.680 4.449 2.708 1.00 0.00 O ATOM 0 H SER A 21 -6.615 5.946 3.686 1.00 0.00 H new ATOM 0 HA SER A 21 -9.114 5.125 5.028 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.632 4.245 2.586 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.450 3.004 3.514 1.00 0.00 H new ATOM 0 HG SER A 21 -9.822 3.933 1.887 1.00 0.00 H new ATOM 286 N GLU A 22 -8.046 2.919 6.027 1.00 0.00 N ATOM 287 CA GLU A 22 -7.434 2.000 6.972 1.00 0.00 C ATOM 288 C GLU A 22 -7.429 0.580 6.404 1.00 0.00 C ATOM 289 O GLU A 22 -8.435 -0.124 6.473 1.00 0.00 O ATOM 290 CB GLU A 22 -8.149 2.047 8.324 1.00 0.00 C ATOM 291 CG GLU A 22 -7.459 1.137 9.342 1.00 0.00 C ATOM 292 CD GLU A 22 -8.366 0.872 10.545 1.00 0.00 C ATOM 293 OE1 GLU A 22 -8.871 1.868 11.105 1.00 0.00 O ATOM 294 OE2 GLU A 22 -8.534 -0.322 10.876 1.00 0.00 O ATOM 0 H GLU A 22 -9.000 2.681 5.757 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.401 2.310 7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.162 3.071 8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.187 1.739 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.192 0.192 8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.530 1.599 9.677 1.00 0.00 H new ATOM 301 N LYS A 23 -6.284 0.201 5.854 1.00 0.00 N ATOM 302 CA LYS A 23 -6.135 -1.123 5.274 1.00 0.00 C ATOM 303 C LYS A 23 -4.969 -1.844 5.953 1.00 0.00 C ATOM 304 O LYS A 23 -4.265 -1.257 6.774 1.00 0.00 O ATOM 305 CB LYS A 23 -5.998 -1.029 3.753 1.00 0.00 C ATOM 306 CG LYS A 23 -7.365 -0.849 3.090 1.00 0.00 C ATOM 307 CD LYS A 23 -7.883 -2.176 2.533 1.00 0.00 C ATOM 308 CE LYS A 23 -9.056 -1.949 1.577 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.235 -2.734 2.008 1.00 0.00 N ATOM 0 H LYS A 23 -5.451 0.788 5.798 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.028 -1.721 5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.351 -0.191 3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.520 -1.931 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.076 -0.453 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.289 -0.117 2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.079 -2.694 2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.198 -2.821 3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.309 -0.889 1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.770 -2.237 0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.022 -2.569 1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.995 -3.746 2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.517 -2.440 2.965 1.00 0.00 H new ATOM 323 N ARG A 24 -4.801 -3.106 5.586 1.00 0.00 N ATOM 324 CA ARG A 24 -3.732 -3.913 6.150 1.00 0.00 C ATOM 325 C ARG A 24 -3.070 -4.756 5.057 1.00 0.00 C ATOM 326 O ARG A 24 -3.732 -5.184 4.113 1.00 0.00 O ATOM 327 CB ARG A 24 -4.261 -4.838 7.248 1.00 0.00 C ATOM 328 CG ARG A 24 -3.208 -5.876 7.644 1.00 0.00 C ATOM 329 CD ARG A 24 -3.761 -6.844 8.693 1.00 0.00 C ATOM 330 NE ARG A 24 -3.069 -8.148 8.591 1.00 0.00 N ATOM 331 CZ ARG A 24 -3.126 -8.948 7.517 1.00 0.00 C ATOM 332 NH1 ARG A 24 -3.843 -8.581 6.447 1.00 0.00 N ATOM 333 NH2 ARG A 24 -2.466 -10.114 7.514 1.00 0.00 N ATOM 0 H ARG A 24 -5.387 -3.589 4.905 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.998 -3.234 6.585 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.542 -4.249 8.121 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.162 -5.343 6.900 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.890 -6.432 6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.325 -5.372 8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.626 -6.428 9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.833 -6.979 8.547 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.513 -8.458 9.388 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.345 -7.693 6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.887 -9.189 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.920 -10.393 8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.510 -10.723 6.697 1.00 0.00 H new ATOM 347 N TYR A 25 -1.773 -4.968 5.222 1.00 0.00 N ATOM 348 CA TYR A 25 -1.015 -5.752 4.262 1.00 0.00 C ATOM 349 C TYR A 25 0.183 -6.428 4.930 1.00 0.00 C ATOM 350 O TYR A 25 0.735 -5.907 5.898 1.00 0.00 O ATOM 351 CB TYR A 25 -0.506 -4.759 3.215 1.00 0.00 C ATOM 352 CG TYR A 25 -1.598 -3.863 2.625 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.047 -2.767 3.332 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.132 -4.152 1.386 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.074 -1.924 2.776 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.159 -3.310 0.830 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.580 -2.237 1.553 1.00 0.00 C ATOM 358 OH TYR A 25 -4.550 -1.441 1.028 1.00 0.00 O ATOM 0 H TYR A 25 -1.228 -4.610 6.006 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.638 -6.534 3.829 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.261 -4.130 3.668 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.028 -5.312 2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.629 -2.541 4.302 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.779 -5.010 0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.434 -1.062 3.318 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.585 -3.525 -0.139 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.299 -1.995 0.725 1.00 0.00 H new ATOM 368 N SER A 26 0.551 -7.580 4.388 1.00 0.00 N ATOM 369 CA SER A 26 1.674 -8.334 4.920 1.00 0.00 C ATOM 370 C SER A 26 2.990 -7.698 4.470 1.00 0.00 C ATOM 371 O SER A 26 3.064 -7.111 3.392 1.00 0.00 O ATOM 372 CB SER A 26 1.613 -9.797 4.479 1.00 0.00 C ATOM 373 OG SER A 26 2.753 -10.534 4.914 1.00 0.00 O ATOM 0 H SER A 26 0.091 -8.010 3.585 1.00 0.00 H new ATOM 0 HA SER A 26 1.619 -8.309 6.008 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.709 -10.258 4.877 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.543 -9.845 3.392 1.00 0.00 H new ATOM 0 HG SER A 26 2.675 -11.464 4.614 1.00 0.00 H new ATOM 379 N ARG A 27 3.998 -7.835 5.320 1.00 0.00 N ATOM 380 CA ARG A 27 5.308 -7.282 5.023 1.00 0.00 C ATOM 381 C ARG A 27 6.007 -8.117 3.949 1.00 0.00 C ATOM 382 O ARG A 27 7.118 -7.795 3.532 1.00 0.00 O ATOM 383 CB ARG A 27 6.184 -7.239 6.277 1.00 0.00 C ATOM 384 CG ARG A 27 5.618 -6.261 7.309 1.00 0.00 C ATOM 385 CD ARG A 27 6.714 -5.765 8.253 1.00 0.00 C ATOM 386 NE ARG A 27 6.278 -5.915 9.659 1.00 0.00 N ATOM 387 CZ ARG A 27 6.900 -5.352 10.704 1.00 0.00 C ATOM 388 NH1 ARG A 27 7.990 -4.598 10.507 1.00 0.00 N ATOM 389 NH2 ARG A 27 6.433 -5.544 11.945 1.00 0.00 N ATOM 0 H ARG A 27 3.933 -8.321 6.214 1.00 0.00 H new ATOM 0 HA ARG A 27 5.163 -6.265 4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.250 -8.236 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.197 -6.942 6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.161 -5.413 6.799 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.831 -6.749 7.884 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.632 -6.329 8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.940 -4.719 8.043 1.00 0.00 H new ATOM 0 HE ARG A 27 5.451 -6.483 9.845 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.346 -4.453 9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.464 -4.169 11.302 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.604 -6.119 12.095 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.907 -5.115 12.740 1.00 0.00 H new ATOM 403 N SER A 28 5.327 -9.175 3.532 1.00 0.00 N ATOM 404 CA SER A 28 5.869 -10.060 2.515 1.00 0.00 C ATOM 405 C SER A 28 5.181 -9.798 1.173 1.00 0.00 C ATOM 406 O SER A 28 5.499 -10.439 0.173 1.00 0.00 O ATOM 407 CB SER A 28 5.705 -11.527 2.917 1.00 0.00 C ATOM 408 OG SER A 28 6.859 -12.300 2.596 1.00 0.00 O ATOM 0 H SER A 28 4.405 -9.439 3.880 1.00 0.00 H new ATOM 0 HA SER A 28 6.935 -9.855 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.512 -11.590 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.835 -11.947 2.411 1.00 0.00 H new ATOM 0 HG SER A 28 6.716 -13.230 2.869 1.00 0.00 H new ATOM 414 N LEU A 29 4.252 -8.853 1.196 1.00 0.00 N ATOM 415 CA LEU A 29 3.517 -8.498 -0.006 1.00 0.00 C ATOM 416 C LEU A 29 4.409 -7.646 -0.911 1.00 0.00 C ATOM 417 O LEU A 29 4.744 -6.513 -0.569 1.00 0.00 O ATOM 418 CB LEU A 29 2.189 -7.829 0.355 1.00 0.00 C ATOM 419 CG LEU A 29 0.958 -8.737 0.353 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.313 -7.938 0.647 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.854 -9.517 -0.960 1.00 0.00 C ATOM 0 H LEU A 29 3.992 -8.323 2.028 1.00 0.00 H new ATOM 0 HA LEU A 29 3.253 -9.393 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.286 -7.385 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.014 -7.012 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 29 1.071 -9.468 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.173 -8.607 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.228 -7.467 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.444 -7.170 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.030 -10.155 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.774 -8.818 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.743 -10.134 -1.088 1.00 0.00 H new ATOM 433 N THR A 30 4.767 -8.224 -2.049 1.00 0.00 N ATOM 434 CA THR A 30 5.614 -7.531 -3.005 1.00 0.00 C ATOM 435 C THR A 30 4.966 -6.213 -3.434 1.00 0.00 C ATOM 436 O THR A 30 3.779 -6.176 -3.754 1.00 0.00 O ATOM 437 CB THR A 30 5.885 -8.483 -4.172 1.00 0.00 C ATOM 438 OG1 THR A 30 4.589 -8.923 -4.570 1.00 0.00 O ATOM 439 CG2 THR A 30 6.594 -9.764 -3.730 1.00 0.00 C ATOM 0 H THR A 30 4.486 -9.163 -2.330 1.00 0.00 H new ATOM 0 HA THR A 30 6.571 -7.257 -2.561 1.00 0.00 H new ATOM 0 HB THR A 30 6.490 -7.974 -4.922 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.655 -9.413 -5.416 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.762 -10.404 -4.596 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.551 -9.511 -3.274 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.974 -10.291 -3.004 1.00 0.00 H new ATOM 447 N ILE A 31 5.774 -5.163 -3.427 1.00 0.00 N ATOM 448 CA ILE A 31 5.295 -3.847 -3.811 1.00 0.00 C ATOM 449 C ILE A 31 4.322 -3.985 -4.983 1.00 0.00 C ATOM 450 O ILE A 31 3.280 -3.332 -5.010 1.00 0.00 O ATOM 451 CB ILE A 31 6.471 -2.910 -4.095 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.381 -2.786 -2.872 1.00 0.00 C ATOM 453 CG2 ILE A 31 5.980 -1.547 -4.586 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.585 -2.357 -1.638 1.00 0.00 C ATOM 0 H ILE A 31 6.758 -5.198 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 31 4.743 -3.388 -2.990 1.00 0.00 H new ATOM 0 HB ILE A 31 7.068 -3.344 -4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.870 -3.741 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.168 -2.059 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.836 -0.900 -4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.407 -1.676 -5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.347 -1.092 -3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.256 -2.276 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.117 -1.390 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.814 -3.098 -1.426 1.00 0.00 H new ATOM 466 N ALA A 32 4.696 -4.840 -5.924 1.00 0.00 N ATOM 467 CA ALA A 32 3.869 -5.072 -7.096 1.00 0.00 C ATOM 468 C ALA A 32 2.510 -5.619 -6.655 1.00 0.00 C ATOM 469 O ALA A 32 1.469 -5.096 -7.049 1.00 0.00 O ATOM 470 CB ALA A 32 4.596 -6.018 -8.054 1.00 0.00 C ATOM 0 H ALA A 32 5.561 -5.380 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 32 3.691 -4.140 -7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.976 -6.192 -8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.542 -5.570 -8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.789 -6.966 -7.552 1.00 0.00 H new ATOM 476 N GLU A 33 2.564 -6.666 -5.845 1.00 0.00 N ATOM 477 CA GLU A 33 1.350 -7.290 -5.347 1.00 0.00 C ATOM 478 C GLU A 33 0.557 -6.300 -4.491 1.00 0.00 C ATOM 479 O GLU A 33 -0.651 -6.151 -4.666 1.00 0.00 O ATOM 480 CB GLU A 33 1.670 -8.562 -4.559 1.00 0.00 C ATOM 481 CG GLU A 33 1.919 -9.742 -5.501 1.00 0.00 C ATOM 482 CD GLU A 33 0.644 -10.563 -5.699 1.00 0.00 C ATOM 483 OE1 GLU A 33 -0.180 -10.139 -6.538 1.00 0.00 O ATOM 484 OE2 GLU A 33 0.522 -11.598 -5.008 1.00 0.00 O ATOM 0 H GLU A 33 3.429 -7.098 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 33 0.736 -7.576 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.549 -8.397 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.844 -8.796 -3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.273 -9.375 -6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.706 -10.377 -5.094 1.00 0.00 H new ATOM 491 N PHE A 34 1.270 -5.649 -3.583 1.00 0.00 N ATOM 492 CA PHE A 34 0.648 -4.678 -2.699 1.00 0.00 C ATOM 493 C PHE A 34 -0.284 -3.747 -3.477 1.00 0.00 C ATOM 494 O PHE A 34 -1.417 -3.507 -3.060 1.00 0.00 O ATOM 495 CB PHE A 34 1.776 -3.850 -2.079 1.00 0.00 C ATOM 496 CG PHE A 34 1.292 -2.737 -1.149 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.015 -2.749 -0.680 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.138 -1.734 -0.790 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.434 -1.715 0.183 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.689 -0.701 0.074 1.00 0.00 C ATOM 501 CZ PHE A 34 0.412 -0.713 0.542 1.00 0.00 C ATOM 0 H PHE A 34 2.272 -5.775 -3.441 1.00 0.00 H new ATOM 0 HA PHE A 34 0.056 -5.191 -1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.436 -4.514 -1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.370 -3.408 -2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.657 -3.545 -0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.152 -1.724 -1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.448 -1.724 0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.361 0.094 0.360 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.070 0.073 1.199 1.00 0.00 H new ATOM 511 N LYS A 35 0.227 -3.247 -4.592 1.00 0.00 N ATOM 512 CA LYS A 35 -0.545 -2.348 -5.432 1.00 0.00 C ATOM 513 C LYS A 35 -1.810 -3.063 -5.910 1.00 0.00 C ATOM 514 O LYS A 35 -2.895 -2.484 -5.904 1.00 0.00 O ATOM 515 CB LYS A 35 0.320 -1.801 -6.570 1.00 0.00 C ATOM 516 CG LYS A 35 1.487 -0.977 -6.023 1.00 0.00 C ATOM 517 CD LYS A 35 2.448 -0.578 -7.145 1.00 0.00 C ATOM 518 CE LYS A 35 3.903 -0.694 -6.688 1.00 0.00 C ATOM 519 NZ LYS A 35 4.788 -0.975 -7.841 1.00 0.00 N ATOM 0 H LYS A 35 1.167 -3.448 -4.933 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.867 -1.477 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.703 -2.627 -7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.289 -1.183 -7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.106 -0.083 -5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.022 -1.554 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.284 -1.216 -8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.242 0.446 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.212 0.231 -6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.996 -1.489 -5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.779 -0.984 -7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.546 -1.902 -8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.662 -0.237 -8.563 1.00 0.00 H new ATOM 533 N CYS A 36 -1.628 -4.312 -6.314 1.00 0.00 N ATOM 534 CA CYS A 36 -2.742 -5.113 -6.794 1.00 0.00 C ATOM 535 C CYS A 36 -3.904 -4.960 -5.811 1.00 0.00 C ATOM 536 O CYS A 36 -5.064 -4.925 -6.217 1.00 0.00 O ATOM 537 CB CYS A 36 -2.344 -6.578 -6.984 1.00 0.00 C ATOM 538 SG CYS A 36 -3.097 -7.238 -8.516 1.00 0.00 S ATOM 0 H CYS A 36 -0.726 -4.789 -6.319 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.051 -4.758 -7.777 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.259 -6.665 -7.036 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.670 -7.166 -6.126 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.426 -6.252 -9.297 1.00 0.00 H new ATOM 544 N LYS A 37 -3.551 -4.872 -4.537 1.00 0.00 N ATOM 545 CA LYS A 37 -4.550 -4.723 -3.492 1.00 0.00 C ATOM 546 C LYS A 37 -5.121 -3.304 -3.538 1.00 0.00 C ATOM 547 O LYS A 37 -6.319 -3.107 -3.340 1.00 0.00 O ATOM 548 CB LYS A 37 -3.965 -5.107 -2.132 1.00 0.00 C ATOM 549 CG LYS A 37 -3.808 -6.625 -2.012 1.00 0.00 C ATOM 550 CD LYS A 37 -2.635 -7.123 -2.858 1.00 0.00 C ATOM 551 CE LYS A 37 -2.436 -8.630 -2.686 1.00 0.00 C ATOM 552 NZ LYS A 37 -1.454 -9.139 -3.669 1.00 0.00 N ATOM 0 H LYS A 37 -2.587 -4.901 -4.205 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.381 -5.408 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.996 -4.626 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.614 -4.741 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.649 -6.896 -0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.727 -7.116 -2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.816 -6.894 -3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.725 -6.597 -2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.091 -8.844 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.388 -9.145 -2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.910 -9.845 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.104 -8.351 -4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.657 -9.580 -3.167 1.00 0.00 H new ATOM 566 N LEU A 38 -4.237 -2.353 -3.799 1.00 0.00 N ATOM 567 CA LEU A 38 -4.638 -0.958 -3.872 1.00 0.00 C ATOM 568 C LEU A 38 -5.561 -0.760 -5.076 1.00 0.00 C ATOM 569 O LEU A 38 -6.414 0.126 -5.070 1.00 0.00 O ATOM 570 CB LEU A 38 -3.409 -0.047 -3.883 1.00 0.00 C ATOM 571 CG LEU A 38 -2.320 -0.378 -2.861 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.179 0.640 -2.927 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.906 -0.491 -1.452 1.00 0.00 C ATOM 0 H LEU A 38 -3.244 -2.521 -3.963 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.206 -0.678 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.967 -0.079 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.739 0.978 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.899 -1.351 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.418 0.382 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.738 0.628 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.567 1.636 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.111 -0.727 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.370 0.455 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.656 -1.282 -1.432 1.00 0.00 H new ATOM 585 N GLU A 39 -5.360 -1.600 -6.080 1.00 0.00 N ATOM 586 CA GLU A 39 -6.163 -1.529 -7.289 1.00 0.00 C ATOM 587 C GLU A 39 -7.652 -1.497 -6.935 1.00 0.00 C ATOM 588 O GLU A 39 -8.451 -0.900 -7.655 1.00 0.00 O ATOM 589 CB GLU A 39 -5.848 -2.695 -8.227 1.00 0.00 C ATOM 590 CG GLU A 39 -4.405 -2.620 -8.729 1.00 0.00 C ATOM 591 CD GLU A 39 -4.178 -3.588 -9.892 1.00 0.00 C ATOM 592 OE1 GLU A 39 -4.300 -4.808 -9.648 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.887 -3.086 -11.000 1.00 0.00 O ATOM 0 H GLU A 39 -4.652 -2.334 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.913 -0.607 -7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.007 -3.639 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.533 -2.680 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.180 -1.603 -9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.720 -2.857 -7.915 1.00 0.00 H new ATOM 600 N LEU A 40 -7.978 -2.146 -5.827 1.00 0.00 N ATOM 601 CA LEU A 40 -9.356 -2.199 -5.370 1.00 0.00 C ATOM 602 C LEU A 40 -9.609 -1.049 -4.393 1.00 0.00 C ATOM 603 O LEU A 40 -10.749 -0.624 -4.211 1.00 0.00 O ATOM 604 CB LEU A 40 -9.676 -3.579 -4.791 1.00 0.00 C ATOM 605 CG LEU A 40 -9.888 -4.701 -5.810 1.00 0.00 C ATOM 606 CD1 LEU A 40 -9.657 -6.072 -5.172 1.00 0.00 C ATOM 607 CD2 LEU A 40 -11.269 -4.597 -6.460 1.00 0.00 C ATOM 0 H LEU A 40 -7.312 -2.639 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.040 -2.063 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.864 -3.869 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.575 -3.495 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.149 -4.586 -6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.814 -6.851 -5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.636 -6.131 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.356 -6.212 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.394 -5.406 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.039 -4.672 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.359 -3.639 -6.972 1.00 0.00 H new ATOM 619 N VAL A 41 -8.528 -0.577 -3.791 1.00 0.00 N ATOM 620 CA VAL A 41 -8.618 0.515 -2.837 1.00 0.00 C ATOM 621 C VAL A 41 -8.977 1.805 -3.579 1.00 0.00 C ATOM 622 O VAL A 41 -9.810 2.581 -3.113 1.00 0.00 O ATOM 623 CB VAL A 41 -7.316 0.625 -2.042 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.343 1.839 -1.111 1.00 0.00 C ATOM 625 CG2 VAL A 41 -7.041 -0.660 -1.259 1.00 0.00 C ATOM 0 H VAL A 41 -7.584 -0.931 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.410 0.325 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.501 0.765 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.406 1.894 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.470 2.747 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.173 1.742 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.110 -0.555 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.860 -0.845 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.957 -1.497 -1.952 1.00 0.00 H new ATOM 635 N VAL A 42 -8.330 1.993 -4.719 1.00 0.00 N ATOM 636 CA VAL A 42 -8.570 3.175 -5.529 1.00 0.00 C ATOM 637 C VAL A 42 -9.403 2.789 -6.754 1.00 0.00 C ATOM 638 O VAL A 42 -9.891 3.657 -7.475 1.00 0.00 O ATOM 639 CB VAL A 42 -7.240 3.838 -5.896 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.769 4.774 -4.781 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.175 2.788 -6.217 1.00 0.00 C ATOM 0 H VAL A 42 -7.640 1.347 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.142 3.913 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.400 4.438 -6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.822 5.232 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.515 5.552 -4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.634 4.205 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.240 3.285 -6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.019 2.150 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.506 2.179 -7.059 1.00 0.00 H new ATOM 651 N GLY A 43 -9.538 1.486 -6.950 1.00 0.00 N ATOM 652 CA GLY A 43 -10.303 0.974 -8.074 1.00 0.00 C ATOM 653 C GLY A 43 -9.589 1.257 -9.397 1.00 0.00 C ATOM 654 O GLY A 43 -10.179 1.115 -10.468 1.00 0.00 O ATOM 0 H GLY A 43 -9.131 0.769 -6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.451 -0.100 -7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.292 1.433 -8.085 1.00 0.00 H new ATOM 658 N SER A 44 -8.330 1.653 -9.281 1.00 0.00 N ATOM 659 CA SER A 44 -7.530 1.957 -10.454 1.00 0.00 C ATOM 660 C SER A 44 -6.462 0.880 -10.653 1.00 0.00 C ATOM 661 O SER A 44 -6.287 0.010 -9.802 1.00 0.00 O ATOM 662 CB SER A 44 -6.877 3.336 -10.334 1.00 0.00 C ATOM 663 OG SER A 44 -7.332 4.043 -9.183 1.00 0.00 O ATOM 0 H SER A 44 -7.844 1.770 -8.392 1.00 0.00 H new ATOM 0 HA SER A 44 -8.189 1.971 -11.322 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.794 3.221 -10.285 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.095 3.920 -11.228 1.00 0.00 H new ATOM 0 HG SER A 44 -7.242 5.007 -9.335 1.00 0.00 H new ATOM 669 N PRO A 45 -5.756 0.977 -11.812 1.00 0.00 N ATOM 670 CA PRO A 45 -4.710 0.021 -12.134 1.00 0.00 C ATOM 671 C PRO A 45 -3.451 0.287 -11.305 1.00 0.00 C ATOM 672 O PRO A 45 -3.044 1.436 -11.140 1.00 0.00 O ATOM 673 CB PRO A 45 -4.481 0.176 -13.628 1.00 0.00 C ATOM 674 CG PRO A 45 -5.071 1.527 -14.002 1.00 0.00 C ATOM 675 CD PRO A 45 -5.936 1.994 -12.843 1.00 0.00 C ATOM 0 HA PRO A 45 -4.988 -1.005 -11.892 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.418 0.134 -13.867 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.964 -0.628 -14.183 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.278 2.248 -14.201 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.664 1.446 -14.913 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.625 2.977 -12.488 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.982 2.078 -13.138 1.00 0.00 H new ATOM 683 N ALA A 46 -2.871 -0.794 -10.806 1.00 0.00 N ATOM 684 CA ALA A 46 -1.667 -0.692 -9.999 1.00 0.00 C ATOM 685 C ALA A 46 -0.464 -0.452 -10.914 1.00 0.00 C ATOM 686 O ALA A 46 0.579 0.020 -10.462 1.00 0.00 O ATOM 687 CB ALA A 46 -1.511 -1.957 -9.152 1.00 0.00 C ATOM 0 H ALA A 46 -3.212 -1.745 -10.945 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.735 0.153 -9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.608 -1.880 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.377 -2.067 -8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.437 -2.826 -9.806 1.00 0.00 H new ATOM 693 N SER A 47 -0.649 -0.787 -12.182 1.00 0.00 N ATOM 694 CA SER A 47 0.408 -0.613 -13.164 1.00 0.00 C ATOM 695 C SER A 47 0.471 0.849 -13.612 1.00 0.00 C ATOM 696 O SER A 47 1.264 1.201 -14.484 1.00 0.00 O ATOM 697 CB SER A 47 0.195 -1.529 -14.370 1.00 0.00 C ATOM 698 OG SER A 47 0.293 -0.820 -15.603 1.00 0.00 O ATOM 0 H SER A 47 -1.515 -1.178 -12.552 1.00 0.00 H new ATOM 0 HA SER A 47 1.355 -0.885 -12.698 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.935 -2.330 -14.352 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.786 -1.999 -14.299 1.00 0.00 H new ATOM 0 HG SER A 47 0.974 -0.120 -15.524 1.00 0.00 H new ATOM 704 N CYS A 48 -0.375 1.660 -12.995 1.00 0.00 N ATOM 705 CA CYS A 48 -0.425 3.076 -13.319 1.00 0.00 C ATOM 706 C CYS A 48 -0.191 3.872 -12.033 1.00 0.00 C ATOM 707 O CYS A 48 0.810 4.575 -11.908 1.00 0.00 O ATOM 708 CB CYS A 48 -1.745 3.455 -13.993 1.00 0.00 C ATOM 709 SG CYS A 48 -1.729 2.922 -15.744 1.00 0.00 S ATOM 0 H CYS A 48 -1.031 1.364 -12.273 1.00 0.00 H new ATOM 0 HA CYS A 48 0.357 3.315 -14.040 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.578 2.986 -13.469 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.897 4.533 -13.934 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.855 3.246 -16.307 1.00 0.00 H new ATOM 715 N MET A 49 -1.133 3.735 -11.111 1.00 0.00 N ATOM 716 CA MET A 49 -1.042 4.433 -9.840 1.00 0.00 C ATOM 717 C MET A 49 0.367 4.322 -9.253 1.00 0.00 C ATOM 718 O MET A 49 1.133 3.438 -9.632 1.00 0.00 O ATOM 719 CB MET A 49 -2.053 3.838 -8.858 1.00 0.00 C ATOM 720 CG MET A 49 -1.418 2.720 -8.028 1.00 0.00 C ATOM 721 SD MET A 49 -2.598 2.091 -6.846 1.00 0.00 S ATOM 722 CE MET A 49 -3.774 1.333 -7.955 1.00 0.00 C ATOM 0 H MET A 49 -1.962 3.151 -11.219 1.00 0.00 H new ATOM 0 HA MET A 49 -1.263 5.487 -10.009 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.426 4.620 -8.197 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.911 3.447 -9.406 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.083 1.916 -8.683 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.537 3.097 -7.509 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.593 0.903 -7.378 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.167 2.086 -8.638 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.281 0.547 -8.526 1.00 0.00 H new ATOM 732 N GLU A 50 0.665 5.233 -8.338 1.00 0.00 N ATOM 733 CA GLU A 50 1.968 5.249 -7.696 1.00 0.00 C ATOM 734 C GLU A 50 1.816 5.073 -6.183 1.00 0.00 C ATOM 735 O GLU A 50 0.713 5.181 -5.650 1.00 0.00 O ATOM 736 CB GLU A 50 2.726 6.537 -8.024 1.00 0.00 C ATOM 737 CG GLU A 50 4.191 6.242 -8.353 1.00 0.00 C ATOM 738 CD GLU A 50 4.311 5.443 -9.653 1.00 0.00 C ATOM 739 OE1 GLU A 50 3.600 5.811 -10.613 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.111 4.483 -9.657 1.00 0.00 O ATOM 0 H GLU A 50 0.027 5.965 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 50 2.552 4.414 -8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.253 7.036 -8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.670 7.222 -7.178 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.742 7.178 -8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.646 5.683 -7.535 1.00 0.00 H new ATOM 747 N LEU A 51 2.940 4.805 -5.535 1.00 0.00 N ATOM 748 CA LEU A 51 2.946 4.613 -4.095 1.00 0.00 C ATOM 749 C LEU A 51 3.855 5.661 -3.449 1.00 0.00 C ATOM 750 O LEU A 51 4.678 6.276 -4.125 1.00 0.00 O ATOM 751 CB LEU A 51 3.325 3.172 -3.748 1.00 0.00 C ATOM 752 CG LEU A 51 2.549 2.079 -4.485 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.732 0.721 -3.803 1.00 0.00 C ATOM 754 CD2 LEU A 51 1.073 2.454 -4.628 1.00 0.00 C ATOM 0 H LEU A 51 3.853 4.716 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 51 1.946 4.762 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.387 3.037 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.186 3.029 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 51 2.957 1.992 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.170 -0.038 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.789 0.456 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.367 0.777 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.545 1.659 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.634 2.587 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.987 3.383 -5.191 1.00 0.00 H new ATOM 766 N GLU A 52 3.676 5.831 -2.147 1.00 0.00 N ATOM 767 CA GLU A 52 4.470 6.793 -1.402 1.00 0.00 C ATOM 768 C GLU A 52 4.542 6.393 0.073 1.00 0.00 C ATOM 769 O GLU A 52 3.532 6.024 0.670 1.00 0.00 O ATOM 770 CB GLU A 52 3.907 8.207 -1.559 1.00 0.00 C ATOM 771 CG GLU A 52 4.144 8.737 -2.975 1.00 0.00 C ATOM 772 CD GLU A 52 3.869 10.241 -3.050 1.00 0.00 C ATOM 773 OE1 GLU A 52 2.700 10.616 -2.817 1.00 0.00 O ATOM 774 OE2 GLU A 52 4.835 10.980 -3.339 1.00 0.00 O ATOM 0 H GLU A 52 2.993 5.319 -1.589 1.00 0.00 H new ATOM 0 HA GLU A 52 5.481 6.792 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.839 8.203 -1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.377 8.872 -0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.172 8.536 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.498 8.210 -3.677 1.00 0.00 H new ATOM 781 N LEU A 53 5.747 6.479 0.618 1.00 0.00 N ATOM 782 CA LEU A 53 5.965 6.130 2.012 1.00 0.00 C ATOM 783 C LEU A 53 6.253 7.402 2.812 1.00 0.00 C ATOM 784 O LEU A 53 7.357 7.942 2.751 1.00 0.00 O ATOM 785 CB LEU A 53 7.057 5.066 2.133 1.00 0.00 C ATOM 786 CG LEU A 53 7.628 4.849 3.536 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.554 4.320 4.489 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.856 3.936 3.493 1.00 0.00 C ATOM 0 H LEU A 53 6.582 6.785 0.119 1.00 0.00 H new ATOM 0 HA LEU A 53 5.067 5.682 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.655 4.118 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.876 5.337 1.467 1.00 0.00 H new ATOM 0 HG LEU A 53 7.957 5.813 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.986 4.174 5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.737 5.039 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.173 3.369 4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.242 3.798 4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.576 2.969 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.626 4.390 2.869 1.00 0.00 H new ATOM 800 N TYR A 54 5.241 7.844 3.545 1.00 0.00 N ATOM 801 CA TYR A 54 5.372 9.042 4.356 1.00 0.00 C ATOM 802 C TYR A 54 5.635 8.686 5.821 1.00 0.00 C ATOM 803 O TYR A 54 5.089 7.710 6.334 1.00 0.00 O ATOM 804 CB TYR A 54 4.030 9.770 4.253 1.00 0.00 C ATOM 805 CG TYR A 54 3.811 10.484 2.918 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.339 9.781 1.829 1.00 0.00 C ATOM 807 CD2 TYR A 54 4.086 11.832 2.803 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.132 10.454 0.572 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.879 12.505 1.547 1.00 0.00 C ATOM 810 CZ TYR A 54 3.413 11.782 0.493 1.00 0.00 C ATOM 811 OH TYR A 54 3.218 12.417 -0.694 1.00 0.00 O ATOM 0 H TYR A 54 4.327 7.394 3.594 1.00 0.00 H new ATOM 0 HA TYR A 54 6.206 9.652 4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.225 9.051 4.405 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.961 10.500 5.059 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.125 8.726 1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.457 12.382 3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.762 9.916 -0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.089 13.559 1.444 1.00 0.00 H new ATOM 0 HH TYR A 54 2.809 11.797 -1.333 1.00 0.00 H new ATOM 821 N GLY A 55 6.470 9.497 6.453 1.00 0.00 N ATOM 822 CA GLY A 55 6.811 9.280 7.849 1.00 0.00 C ATOM 823 C GLY A 55 5.617 9.578 8.758 1.00 0.00 C ATOM 824 O GLY A 55 4.513 9.091 8.518 1.00 0.00 O ATOM 0 H GLY A 55 6.921 10.305 6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.133 8.249 7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.651 9.917 8.125 1.00 0.00 H new ATOM 828 N ALA A 56 5.879 10.376 9.783 1.00 0.00 N ATOM 829 CA ALA A 56 4.840 10.744 10.729 1.00 0.00 C ATOM 830 C ALA A 56 4.152 12.025 10.252 1.00 0.00 C ATOM 831 O ALA A 56 3.006 11.990 9.808 1.00 0.00 O ATOM 832 CB ALA A 56 5.449 10.894 12.125 1.00 0.00 C ATOM 0 H ALA A 56 6.796 10.778 9.979 1.00 0.00 H new ATOM 0 HA ALA A 56 4.081 9.964 10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.669 11.170 12.834 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.898 9.949 12.429 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.214 11.670 12.107 1.00 0.00 H new ATOM 838 N ASP A 57 4.882 13.125 10.361 1.00 0.00 N ATOM 839 CA ASP A 57 4.356 14.415 9.946 1.00 0.00 C ATOM 840 C ASP A 57 4.333 14.484 8.418 1.00 0.00 C ATOM 841 O ASP A 57 4.941 15.373 7.823 1.00 0.00 O ATOM 842 CB ASP A 57 5.236 15.558 10.457 1.00 0.00 C ATOM 843 CG ASP A 57 4.508 16.886 10.674 1.00 0.00 C ATOM 844 OD1 ASP A 57 3.569 16.891 11.499 1.00 0.00 O ATOM 845 OD2 ASP A 57 4.907 17.867 10.009 1.00 0.00 O ATOM 0 H ASP A 57 5.832 13.150 10.730 1.00 0.00 H new ATOM 0 HA ASP A 57 3.353 14.519 10.359 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.692 15.253 11.399 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.047 15.717 9.747 1.00 0.00 H new ATOM 850 N ASP A 58 3.625 13.534 7.825 1.00 0.00 N ATOM 851 CA ASP A 58 3.514 13.475 6.378 1.00 0.00 C ATOM 852 C ASP A 58 4.858 13.852 5.752 1.00 0.00 C ATOM 853 O ASP A 58 4.941 14.803 4.976 1.00 0.00 O ATOM 854 CB ASP A 58 2.462 14.461 5.865 1.00 0.00 C ATOM 855 CG ASP A 58 2.122 14.330 4.379 1.00 0.00 C ATOM 856 OD1 ASP A 58 3.074 14.127 3.595 1.00 0.00 O ATOM 857 OD2 ASP A 58 0.917 14.435 4.061 1.00 0.00 O ATOM 0 H ASP A 58 3.122 12.798 8.321 1.00 0.00 H new ATOM 0 HA ASP A 58 3.223 12.461 6.104 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.548 14.328 6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.814 15.475 6.054 1.00 0.00 H new ATOM 862 N LYS A 59 5.878 13.087 6.113 1.00 0.00 N ATOM 863 CA LYS A 59 7.214 13.328 5.597 1.00 0.00 C ATOM 864 C LYS A 59 7.587 12.215 4.616 1.00 0.00 C ATOM 865 O LYS A 59 7.765 11.065 5.015 1.00 0.00 O ATOM 866 CB LYS A 59 8.211 13.494 6.746 1.00 0.00 C ATOM 867 CG LYS A 59 9.631 13.143 6.295 1.00 0.00 C ATOM 868 CD LYS A 59 10.622 13.276 7.453 1.00 0.00 C ATOM 869 CE LYS A 59 10.921 14.746 7.753 1.00 0.00 C ATOM 870 NZ LYS A 59 10.277 15.158 9.021 1.00 0.00 N ATOM 0 H LYS A 59 5.805 12.299 6.757 1.00 0.00 H new ATOM 0 HA LYS A 59 7.243 14.266 5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.185 14.521 7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.921 12.853 7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.652 12.124 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.930 13.800 5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.214 12.795 8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.548 12.756 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.998 14.898 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.561 15.371 6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.490 16.158 9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.248 15.032 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.640 14.574 9.801 1.00 0.00 H new ATOM 884 N PHE A 60 7.693 12.595 3.351 1.00 0.00 N ATOM 885 CA PHE A 60 8.041 11.643 2.310 1.00 0.00 C ATOM 886 C PHE A 60 9.424 11.039 2.558 1.00 0.00 C ATOM 887 O PHE A 60 10.376 11.761 2.856 1.00 0.00 O ATOM 888 CB PHE A 60 8.063 12.413 0.988 1.00 0.00 C ATOM 889 CG PHE A 60 8.451 11.561 -0.222 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.543 10.712 -0.774 1.00 0.00 C ATOM 891 CD2 PHE A 60 9.702 11.654 -0.746 1.00 0.00 C ATOM 892 CE1 PHE A 60 7.903 9.921 -1.897 1.00 0.00 C ATOM 893 CE2 PHE A 60 10.062 10.864 -1.870 1.00 0.00 C ATOM 894 CZ PHE A 60 9.155 10.014 -2.421 1.00 0.00 C ATOM 0 H PHE A 60 7.544 13.549 3.024 1.00 0.00 H new ATOM 0 HA PHE A 60 7.317 10.829 2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.077 12.845 0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.764 13.243 1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.549 10.640 -0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.422 12.329 -0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.183 9.246 -2.335 1.00 0.00 H new ATOM 0 HE2 PHE A 60 11.056 10.938 -2.287 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.429 9.412 -3.275 1.00 0.00 H new ATOM 904 N TYR A 61 9.493 9.723 2.427 1.00 0.00 N ATOM 905 CA TYR A 61 10.745 9.014 2.634 1.00 0.00 C ATOM 906 C TYR A 61 11.287 8.463 1.314 1.00 0.00 C ATOM 907 O TYR A 61 12.323 8.914 0.827 1.00 0.00 O ATOM 908 CB TYR A 61 10.419 7.846 3.566 1.00 0.00 C ATOM 909 CG TYR A 61 10.483 8.199 5.053 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.527 9.521 5.447 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.497 7.196 6.001 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.587 9.853 6.847 1.00 0.00 C ATOM 913 CE2 TYR A 61 10.557 7.528 7.401 1.00 0.00 C ATOM 914 CZ TYR A 61 10.599 8.841 7.754 1.00 0.00 C ATOM 915 OH TYR A 61 10.656 9.155 9.077 1.00 0.00 O ATOM 0 H TYR A 61 8.702 9.128 2.180 1.00 0.00 H new ATOM 0 HA TYR A 61 11.500 9.681 3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.420 7.477 3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.114 7.031 3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.516 10.306 4.706 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.463 6.162 5.693 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.622 10.883 7.169 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.568 6.753 8.153 1.00 0.00 H new ATOM 0 HH TYR A 61 10.657 8.332 9.609 1.00 0.00 H new ATOM 925 N SER A 62 10.563 7.495 0.772 1.00 0.00 N ATOM 926 CA SER A 62 10.958 6.877 -0.482 1.00 0.00 C ATOM 927 C SER A 62 9.718 6.443 -1.266 1.00 0.00 C ATOM 928 O SER A 62 8.607 6.465 -0.738 1.00 0.00 O ATOM 929 CB SER A 62 11.879 5.679 -0.240 1.00 0.00 C ATOM 930 OG SER A 62 13.246 5.999 -0.479 1.00 0.00 O ATOM 0 H SER A 62 9.705 7.123 1.179 1.00 0.00 H new ATOM 0 HA SER A 62 11.510 7.613 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.762 5.334 0.787 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.581 4.856 -0.889 1.00 0.00 H new ATOM 0 HG SER A 62 13.801 5.209 -0.312 1.00 0.00 H new ATOM 936 N LYS A 63 9.949 6.058 -2.512 1.00 0.00 N ATOM 937 CA LYS A 63 8.864 5.620 -3.374 1.00 0.00 C ATOM 938 C LYS A 63 8.890 4.094 -3.482 1.00 0.00 C ATOM 939 O LYS A 63 9.933 3.505 -3.759 1.00 0.00 O ATOM 940 CB LYS A 63 8.932 6.334 -4.725 1.00 0.00 C ATOM 941 CG LYS A 63 8.268 7.710 -4.652 1.00 0.00 C ATOM 942 CD LYS A 63 7.002 7.754 -5.510 1.00 0.00 C ATOM 943 CE LYS A 63 7.024 8.954 -6.459 1.00 0.00 C ATOM 944 NZ LYS A 63 7.262 8.510 -7.851 1.00 0.00 N ATOM 0 H LYS A 63 10.872 6.040 -2.946 1.00 0.00 H new ATOM 0 HA LYS A 63 7.900 5.893 -2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.973 6.444 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.439 5.728 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.018 7.943 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.968 8.474 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.916 6.832 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.124 7.811 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.077 9.490 -6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.805 9.651 -6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.900 9.227 -8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.283 8.382 -8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.771 7.608 -8.016 1.00 0.00 H new ATOM 958 N LEU A 64 7.728 3.497 -3.258 1.00 0.00 N ATOM 959 CA LEU A 64 7.604 2.051 -3.327 1.00 0.00 C ATOM 960 C LEU A 64 7.439 1.627 -4.788 1.00 0.00 C ATOM 961 O LEU A 64 6.368 1.175 -5.190 1.00 0.00 O ATOM 962 CB LEU A 64 6.475 1.566 -2.415 1.00 0.00 C ATOM 963 CG LEU A 64 6.670 1.815 -0.918 1.00 0.00 C ATOM 964 CD1 LEU A 64 8.120 2.192 -0.608 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.682 2.864 -0.403 1.00 0.00 C ATOM 0 H LEU A 64 6.864 3.989 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 64 8.510 1.573 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.549 2.050 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.343 0.495 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 64 6.459 0.886 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.230 2.363 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.780 1.381 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.384 3.100 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.842 3.022 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.837 3.802 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.662 2.516 -0.569 1.00 0.00 H new ATOM 977 N ASP A 65 8.516 1.788 -5.543 1.00 0.00 N ATOM 978 CA ASP A 65 8.504 1.428 -6.950 1.00 0.00 C ATOM 979 C ASP A 65 9.066 0.014 -7.115 1.00 0.00 C ATOM 980 O ASP A 65 8.525 -0.789 -7.874 1.00 0.00 O ATOM 981 CB ASP A 65 9.375 2.381 -7.771 1.00 0.00 C ATOM 982 CG ASP A 65 9.319 2.167 -9.285 1.00 0.00 C ATOM 983 OD1 ASP A 65 8.653 1.192 -9.696 1.00 0.00 O ATOM 984 OD2 ASP A 65 9.945 2.982 -9.996 1.00 0.00 O ATOM 0 H ASP A 65 9.403 2.163 -5.206 1.00 0.00 H new ATOM 0 HA ASP A 65 7.475 1.486 -7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.072 3.405 -7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.409 2.278 -7.443 1.00 0.00 H new ATOM 989 N GLN A 66 10.145 -0.247 -6.392 1.00 0.00 N ATOM 990 CA GLN A 66 10.786 -1.550 -6.448 1.00 0.00 C ATOM 991 C GLN A 66 9.742 -2.661 -6.323 1.00 0.00 C ATOM 992 O GLN A 66 9.171 -2.864 -5.253 1.00 0.00 O ATOM 993 CB GLN A 66 11.858 -1.681 -5.364 1.00 0.00 C ATOM 994 CG GLN A 66 12.511 -3.064 -5.403 1.00 0.00 C ATOM 995 CD GLN A 66 13.704 -3.080 -6.361 1.00 0.00 C ATOM 996 OE1 GLN A 66 13.563 -3.002 -7.571 1.00 0.00 O ATOM 997 NE2 GLN A 66 14.883 -3.186 -5.755 1.00 0.00 N ATOM 0 H GLN A 66 10.592 0.422 -5.764 1.00 0.00 H new ATOM 0 HA GLN A 66 11.280 -1.649 -7.415 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.618 -0.912 -5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.412 -1.513 -4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.840 -3.343 -4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.778 -3.807 -5.717 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.930 -3.247 -4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.740 -3.206 -6.307 1.00 0.00 H new ATOM 1006 N GLU A 67 9.524 -3.352 -7.433 1.00 0.00 N ATOM 1007 CA GLU A 67 8.559 -4.438 -7.461 1.00 0.00 C ATOM 1008 C GLU A 67 9.142 -5.685 -6.793 1.00 0.00 C ATOM 1009 O GLU A 67 8.412 -6.470 -6.190 1.00 0.00 O ATOM 1010 CB GLU A 67 8.115 -4.741 -8.893 1.00 0.00 C ATOM 1011 CG GLU A 67 7.700 -3.460 -9.621 1.00 0.00 C ATOM 1012 CD GLU A 67 8.442 -3.321 -10.952 1.00 0.00 C ATOM 1013 OE1 GLU A 67 8.280 -4.233 -11.790 1.00 0.00 O ATOM 1014 OE2 GLU A 67 9.154 -2.304 -11.101 1.00 0.00 O ATOM 0 H GLU A 67 9.999 -3.181 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 67 7.677 -4.128 -6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.928 -5.225 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.280 -5.442 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.625 -3.471 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.910 -2.595 -8.991 1.00 0.00 H new ATOM 1021 N ASP A 68 10.453 -5.827 -6.922 1.00 0.00 N ATOM 1022 CA ASP A 68 11.143 -6.965 -6.338 1.00 0.00 C ATOM 1023 C ASP A 68 11.327 -6.730 -4.837 1.00 0.00 C ATOM 1024 O ASP A 68 11.896 -7.567 -4.139 1.00 0.00 O ATOM 1025 CB ASP A 68 12.529 -7.148 -6.960 1.00 0.00 C ATOM 1026 CG ASP A 68 12.645 -8.309 -7.950 1.00 0.00 C ATOM 1027 OD1 ASP A 68 12.334 -9.445 -7.531 1.00 0.00 O ATOM 1028 OD2 ASP A 68 13.042 -8.034 -9.103 1.00 0.00 O ATOM 0 H ASP A 68 11.055 -5.173 -7.422 1.00 0.00 H new ATOM 0 HA ASP A 68 10.542 -7.855 -6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.806 -6.226 -7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.253 -7.299 -6.159 1.00 0.00 H new ATOM 1033 N ALA A 69 10.833 -5.586 -4.385 1.00 0.00 N ATOM 1034 CA ALA A 69 10.936 -5.230 -2.980 1.00 0.00 C ATOM 1035 C ALA A 69 9.742 -5.813 -2.223 1.00 0.00 C ATOM 1036 O ALA A 69 8.830 -6.373 -2.830 1.00 0.00 O ATOM 1037 CB ALA A 69 11.026 -3.708 -2.844 1.00 0.00 C ATOM 0 H ALA A 69 10.361 -4.894 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 69 11.842 -5.650 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.103 -3.441 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.906 -3.347 -3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.132 -3.251 -3.270 1.00 0.00 H new ATOM 1043 N LEU A 70 9.785 -5.661 -0.907 1.00 0.00 N ATOM 1044 CA LEU A 70 8.717 -6.166 -0.060 1.00 0.00 C ATOM 1045 C LEU A 70 8.435 -5.155 1.054 1.00 0.00 C ATOM 1046 O LEU A 70 9.341 -4.460 1.510 1.00 0.00 O ATOM 1047 CB LEU A 70 9.057 -7.567 0.452 1.00 0.00 C ATOM 1048 CG LEU A 70 9.729 -8.504 -0.553 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.672 -9.480 0.153 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.687 -9.230 -1.407 1.00 0.00 C ATOM 0 H LEU A 70 10.542 -5.196 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 70 7.796 -6.276 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.711 -7.467 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.138 -8.038 0.799 1.00 0.00 H new ATOM 0 HG LEU A 70 10.336 -7.902 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.137 -10.135 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.445 -8.922 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.107 -10.080 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.191 -9.890 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.035 -9.819 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.092 -8.499 -1.955 1.00 0.00 H new ATOM 1062 N LEU A 71 7.175 -5.106 1.459 1.00 0.00 N ATOM 1063 CA LEU A 71 6.762 -4.192 2.510 1.00 0.00 C ATOM 1064 C LEU A 71 7.543 -4.506 3.788 1.00 0.00 C ATOM 1065 O LEU A 71 7.431 -5.602 4.335 1.00 0.00 O ATOM 1066 CB LEU A 71 5.243 -4.235 2.692 1.00 0.00 C ATOM 1067 CG LEU A 71 4.496 -2.933 2.399 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.031 -3.032 2.830 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.202 -1.738 3.043 1.00 0.00 C ATOM 0 H LEU A 71 6.426 -5.685 1.078 1.00 0.00 H new ATOM 0 HA LEU A 71 6.998 -3.164 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.841 -5.015 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.028 -4.531 3.719 1.00 0.00 H new ATOM 0 HG LEU A 71 4.505 -2.770 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.523 -2.093 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.546 -3.843 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.979 -3.231 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.650 -0.825 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.246 -1.880 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.214 -1.656 2.647 1.00 0.00 H new ATOM 1081 N GLY A 72 8.316 -3.523 4.227 1.00 0.00 N ATOM 1082 CA GLY A 72 9.115 -3.680 5.430 1.00 0.00 C ATOM 1083 C GLY A 72 10.556 -3.222 5.195 1.00 0.00 C ATOM 1084 O GLY A 72 11.059 -2.354 5.907 1.00 0.00 O ATOM 0 H GLY A 72 8.406 -2.615 3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.674 -3.102 6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.108 -4.724 5.742 1.00 0.00 H new ATOM 1088 N SER A 73 11.179 -3.825 4.194 1.00 0.00 N ATOM 1089 CA SER A 73 12.552 -3.489 3.856 1.00 0.00 C ATOM 1090 C SER A 73 12.733 -1.970 3.849 1.00 0.00 C ATOM 1091 O SER A 73 13.837 -1.472 4.060 1.00 0.00 O ATOM 1092 CB SER A 73 12.945 -4.077 2.499 1.00 0.00 C ATOM 1093 OG SER A 73 14.118 -4.882 2.585 1.00 0.00 O ATOM 0 H SER A 73 10.759 -4.544 3.606 1.00 0.00 H new ATOM 0 HA SER A 73 13.206 -3.923 4.613 1.00 0.00 H new ATOM 0 HB2 SER A 73 12.121 -4.677 2.112 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.112 -3.268 1.788 1.00 0.00 H new ATOM 0 HG SER A 73 14.335 -5.240 1.699 1.00 0.00 H new ATOM 1099 N TYR A 74 11.631 -1.276 3.603 1.00 0.00 N ATOM 1100 CA TYR A 74 11.654 0.176 3.565 1.00 0.00 C ATOM 1101 C TYR A 74 11.456 0.764 4.964 1.00 0.00 C ATOM 1102 O TYR A 74 11.102 0.047 5.898 1.00 0.00 O ATOM 1103 CB TYR A 74 10.479 0.593 2.679 1.00 0.00 C ATOM 1104 CG TYR A 74 10.778 0.532 1.179 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.668 1.425 0.616 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.159 -0.415 0.390 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.950 1.367 -0.795 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.440 -0.473 -1.021 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.322 0.421 -1.544 1.00 0.00 C ATOM 1110 OH TYR A 74 11.588 0.367 -2.876 1.00 0.00 O ATOM 0 H TYR A 74 10.717 -1.693 3.428 1.00 0.00 H new ATOM 0 HA TYR A 74 12.611 0.535 3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.627 -0.052 2.896 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.184 1.610 2.939 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.152 2.167 1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.463 -1.113 0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.644 2.059 -1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.962 -1.209 -1.650 1.00 0.00 H new ATOM 0 HH TYR A 74 12.503 0.676 -3.040 1.00 0.00 H new ATOM 1120 N PRO A 75 11.699 2.098 5.066 1.00 0.00 N ATOM 1121 CA PRO A 75 11.551 2.791 6.335 1.00 0.00 C ATOM 1122 C PRO A 75 10.074 2.998 6.677 1.00 0.00 C ATOM 1123 O PRO A 75 9.639 4.125 6.909 1.00 0.00 O ATOM 1124 CB PRO A 75 12.309 4.096 6.161 1.00 0.00 C ATOM 1125 CG PRO A 75 12.459 4.295 4.662 1.00 0.00 C ATOM 1126 CD PRO A 75 12.119 2.980 3.981 1.00 0.00 C ATOM 0 HA PRO A 75 11.951 2.223 7.174 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.766 4.926 6.613 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.283 4.050 6.648 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.797 5.088 4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.477 4.600 4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.325 3.109 3.246 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.981 2.574 3.452 1.00 0.00 H new ATOM 1134 N VAL A 76 9.343 1.893 6.698 1.00 0.00 N ATOM 1135 CA VAL A 76 7.925 1.940 7.008 1.00 0.00 C ATOM 1136 C VAL A 76 7.705 1.462 8.445 1.00 0.00 C ATOM 1137 O VAL A 76 8.651 1.060 9.121 1.00 0.00 O ATOM 1138 CB VAL A 76 7.137 1.125 5.980 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.300 -0.376 6.230 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.660 1.524 5.980 1.00 0.00 C ATOM 0 H VAL A 76 9.707 0.960 6.505 1.00 0.00 H new ATOM 0 HA VAL A 76 7.554 2.963 6.945 1.00 0.00 H new ATOM 0 HB VAL A 76 7.543 1.347 4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.730 -0.933 5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.354 -0.645 6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.932 -0.621 7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.123 0.930 5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.235 1.345 6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.569 2.581 5.732 1.00 0.00 H new ATOM 1150 N ASP A 77 6.452 1.521 8.870 1.00 0.00 N ATOM 1151 CA ASP A 77 6.096 1.099 10.214 1.00 0.00 C ATOM 1152 C ASP A 77 4.577 1.173 10.382 1.00 0.00 C ATOM 1153 O ASP A 77 3.937 2.095 9.877 1.00 0.00 O ATOM 1154 CB ASP A 77 6.733 2.012 11.264 1.00 0.00 C ATOM 1155 CG ASP A 77 6.497 3.508 11.049 1.00 0.00 C ATOM 1156 OD1 ASP A 77 5.449 3.992 11.526 1.00 0.00 O ATOM 1157 OD2 ASP A 77 7.372 4.134 10.411 1.00 0.00 O ATOM 0 H ASP A 77 5.670 1.855 8.307 1.00 0.00 H new ATOM 0 HA ASP A 77 6.457 0.080 10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.347 1.736 12.245 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.807 1.828 11.280 1.00 0.00 H new ATOM 1162 N ASP A 78 4.044 0.191 11.093 1.00 0.00 N ATOM 1163 CA ASP A 78 2.612 0.133 11.334 1.00 0.00 C ATOM 1164 C ASP A 78 2.131 1.490 11.850 1.00 0.00 C ATOM 1165 O ASP A 78 2.233 1.777 13.042 1.00 0.00 O ATOM 1166 CB ASP A 78 2.273 -0.922 12.389 1.00 0.00 C ATOM 1167 CG ASP A 78 3.211 -0.952 13.598 1.00 0.00 C ATOM 1168 OD1 ASP A 78 4.333 -1.479 13.432 1.00 0.00 O ATOM 1169 OD2 ASP A 78 2.786 -0.447 14.659 1.00 0.00 O ATOM 0 H ASP A 78 4.578 -0.571 11.510 1.00 0.00 H new ATOM 0 HA ASP A 78 2.122 -0.126 10.395 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.256 -0.748 12.741 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.283 -1.904 11.916 1.00 0.00 H new ATOM 1174 N GLY A 79 1.616 2.290 10.928 1.00 0.00 N ATOM 1175 CA GLY A 79 1.119 3.610 11.275 1.00 0.00 C ATOM 1176 C GLY A 79 1.486 4.635 10.199 1.00 0.00 C ATOM 1177 O GLY A 79 0.933 5.733 10.169 1.00 0.00 O ATOM 0 H GLY A 79 1.532 2.049 9.940 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.036 3.575 11.395 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.536 3.919 12.234 1.00 0.00 H new ATOM 1181 N CYS A 80 2.416 4.239 9.343 1.00 0.00 N ATOM 1182 CA CYS A 80 2.863 5.109 8.269 1.00 0.00 C ATOM 1183 C CYS A 80 1.650 5.478 7.413 1.00 0.00 C ATOM 1184 O CYS A 80 0.512 5.207 7.793 1.00 0.00 O ATOM 1185 CB CYS A 80 3.971 4.458 7.438 1.00 0.00 C ATOM 1186 SG CYS A 80 5.600 5.132 7.928 1.00 0.00 S ATOM 0 H CYS A 80 2.872 3.327 9.371 1.00 0.00 H new ATOM 0 HA CYS A 80 3.299 6.015 8.689 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.957 3.378 7.582 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.797 4.641 6.378 1.00 0.00 H new ATOM 0 HG CYS A 80 5.759 6.309 7.400 1.00 0.00 H new ATOM 1192 N ARG A 81 1.934 6.091 6.273 1.00 0.00 N ATOM 1193 CA ARG A 81 0.880 6.500 5.361 1.00 0.00 C ATOM 1194 C ARG A 81 1.276 6.185 3.917 1.00 0.00 C ATOM 1195 O ARG A 81 2.328 6.618 3.449 1.00 0.00 O ATOM 1196 CB ARG A 81 0.592 7.998 5.487 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.754 8.353 4.854 1.00 0.00 C ATOM 1198 CD ARG A 81 -0.792 9.824 4.435 1.00 0.00 C ATOM 1199 NE ARG A 81 -1.082 10.677 5.610 1.00 0.00 N ATOM 1200 CZ ARG A 81 -1.174 12.013 5.564 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -0.999 12.657 4.402 1.00 0.00 N ATOM 1202 NH2 ARG A 81 -1.441 12.705 6.680 1.00 0.00 N ATOM 0 H ARG A 81 2.879 6.314 5.960 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.020 5.945 5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.590 8.284 6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.386 8.567 5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.930 7.719 3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.557 8.152 5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.163 10.110 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.554 9.973 3.670 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.220 10.219 6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.796 12.130 3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.069 13.674 4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.574 12.215 7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.511 13.722 6.645 1.00 0.00 H new ATOM 1216 N ILE A 82 0.413 5.432 3.251 1.00 0.00 N ATOM 1217 CA ILE A 82 0.659 5.054 1.870 1.00 0.00 C ATOM 1218 C ILE A 82 -0.270 5.852 0.953 1.00 0.00 C ATOM 1219 O ILE A 82 -1.443 5.512 0.804 1.00 0.00 O ATOM 1220 CB ILE A 82 0.537 3.538 1.700 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.698 2.814 2.386 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.420 3.160 0.222 1.00 0.00 C ATOM 1223 CD1 ILE A 82 2.963 2.871 1.529 1.00 0.00 C ATOM 0 H ILE A 82 -0.458 5.073 3.642 1.00 0.00 H new ATOM 0 HA ILE A 82 1.681 5.303 1.583 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.381 3.212 2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.892 3.269 3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.425 1.775 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.335 2.077 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.465 3.632 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.307 3.501 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.772 2.349 2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.773 2.394 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.247 3.911 1.368 1.00 0.00 H new ATOM 1235 N HIS A 83 0.289 6.898 0.363 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.475 7.748 -0.535 1.00 0.00 C ATOM 1237 C HIS A 83 -0.384 7.200 -1.960 1.00 0.00 C ATOM 1238 O HIS A 83 0.710 7.021 -2.492 1.00 0.00 O ATOM 1239 CB HIS A 83 -0.015 9.203 -0.429 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.958 10.193 -1.070 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -2.095 10.664 -0.436 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.920 10.797 -2.292 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.706 11.512 -1.251 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.977 11.592 -2.400 1.00 0.00 N ATOM 0 H HIS A 83 1.262 7.177 0.489 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.526 7.738 -0.245 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.105 9.460 0.624 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.966 9.298 -0.894 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.159 10.653 -3.044 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.621 12.046 -1.041 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.206 12.168 -3.210 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.549 6.949 -2.539 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.616 6.425 -3.892 1.00 0.00 C ATOM 1254 C VAL A 84 -1.880 7.574 -4.867 1.00 0.00 C ATOM 1255 O VAL A 84 -2.833 8.332 -4.694 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.668 5.317 -3.974 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.760 4.752 -5.393 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.378 4.209 -2.960 1.00 0.00 C ATOM 0 H VAL A 84 -2.455 7.099 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.665 5.972 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.635 5.754 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.515 3.966 -5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.037 5.548 -6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.794 4.339 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.141 3.434 -3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.399 3.776 -3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.388 4.626 -1.953 1.00 0.00 H new ATOM 1268 N ILE A 85 -1.019 7.667 -5.870 1.00 0.00 N ATOM 1269 CA ILE A 85 -1.148 8.711 -6.872 1.00 0.00 C ATOM 1270 C ILE A 85 -1.906 8.160 -8.082 1.00 0.00 C ATOM 1271 O ILE A 85 -1.340 7.432 -8.895 1.00 0.00 O ATOM 1272 CB ILE A 85 0.224 9.292 -7.220 1.00 0.00 C ATOM 1273 CG1 ILE A 85 0.906 9.868 -5.977 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.114 10.325 -8.343 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.360 10.242 -6.273 1.00 0.00 C ATOM 0 H ILE A 85 -0.230 7.036 -6.010 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.732 9.544 -6.481 1.00 0.00 H new ATOM 0 HB ILE A 85 0.854 8.482 -7.588 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.363 10.749 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.872 9.138 -5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.103 10.722 -8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.301 9.852 -9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.539 11.138 -8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.821 10.649 -5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.906 9.354 -6.591 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.389 10.990 -7.066 1.00 0.00 H new ATOM 1287 N ASP A 86 -3.176 8.530 -8.162 1.00 0.00 N ATOM 1288 CA ASP A 86 -4.018 8.082 -9.258 1.00 0.00 C ATOM 1289 C ASP A 86 -3.390 8.510 -10.586 1.00 0.00 C ATOM 1290 O ASP A 86 -3.465 9.678 -10.964 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.413 8.705 -9.172 1.00 0.00 C ATOM 1292 CG ASP A 86 -6.399 8.233 -10.242 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -7.026 7.177 -10.010 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -6.504 8.939 -11.268 1.00 0.00 O ATOM 0 H ASP A 86 -3.642 9.135 -7.486 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.103 6.997 -9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.833 8.485 -8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.316 9.788 -9.242 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.784 7.541 -11.257 1.00 0.00 N ATOM 1300 CA HIS A 87 -2.143 7.804 -12.534 1.00 0.00 C ATOM 1301 C HIS A 87 -3.082 7.398 -13.672 1.00 0.00 C ATOM 1302 O HIS A 87 -2.678 7.364 -14.834 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.782 7.109 -12.612 1.00 0.00 C ATOM 1304 CG HIS A 87 0.365 7.949 -12.102 1.00 0.00 C ATOM 1305 ND1 HIS A 87 1.362 7.653 -11.219 1.00 0.00 N flip ATOM 1306 CD2 HIS A 87 0.574 9.256 -12.504 1.00 0.00 C flip ATOM 1307 CE1 HIS A 87 2.138 8.722 -11.090 1.00 0.00 C flip ATOM 1308 NE2 HIS A 87 1.651 9.717 -11.886 1.00 0.00 N flip ATOM 0 H HIS A 87 -2.724 6.573 -10.940 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.947 8.872 -12.634 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.825 6.183 -12.038 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.585 6.833 -13.648 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.037 9.807 -13.203 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.011 8.793 -10.459 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.047 10.652 -11.987 1.00 0.00 H new