USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.63) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.32) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.161 USER MOD Set 4.2: A 21 THR OG1 : rot -69:sc= 0.167 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0318) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.0301 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 160:sc= -0.177 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.25) USER MOD Single : A 29 GLN : amide:sc= -0.417 K(o=-0.42,f=-1.8) USER MOD Single : A 35 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.3!) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= -0.0625 (180deg=-0.398) USER MOD Single : A 43 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-1.7) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -154:sc= 0 (180deg=-0.0498) USER MOD Single : C 1 MET N :NH3+ 147:sc= 0.0172 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ -144:sc= 1.23 (180deg=0.849) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.18) USER MOD Single : C 29 GLN : amide:sc= -0.883 K(o=-0.88,f=-1.6) USER MOD Single : C 35 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.4!) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HE2:sc= -1.34 X(o=-1.3,f=-1.5) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.267 10.159 -2.035 1.00 0.00 N ATOM 2 CA MET A 1 6.796 10.120 -2.137 1.00 0.00 C ATOM 3 C MET A 1 6.373 9.732 -3.547 1.00 0.00 C ATOM 4 O MET A 1 7.005 10.158 -4.509 1.00 0.00 O ATOM 5 CB MET A 1 6.205 11.495 -1.784 1.00 0.00 C ATOM 6 CG MET A 1 4.677 11.486 -1.834 1.00 0.00 C ATOM 7 SD MET A 1 3.874 10.507 -0.545 1.00 0.00 S ATOM 8 CE MET A 1 2.170 10.702 -1.120 1.00 0.00 C ATOM 0 H1 MET A 1 8.548 10.887 -1.348 1.00 0.00 H new ATOM 0 H2 MET A 1 8.618 9.232 -1.720 1.00 0.00 H new ATOM 0 H3 MET A 1 8.674 10.385 -2.965 1.00 0.00 H new ATOM 0 HA MET A 1 6.421 9.375 -1.435 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.534 11.787 -0.787 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.587 12.244 -2.478 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.321 12.514 -1.763 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.363 11.106 -2.806 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.489 10.240 -0.405 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.936 11.763 -1.211 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.056 10.221 -2.091 1.00 0.00 H new ATOM 20 N LEU A 2 5.312 8.930 -3.678 1.00 0.00 N ATOM 21 CA LEU A 2 4.734 8.605 -4.970 1.00 0.00 C ATOM 22 C LEU A 2 3.216 8.590 -4.856 1.00 0.00 C ATOM 23 O LEU A 2 2.667 8.380 -3.776 1.00 0.00 O ATOM 24 CB LEU A 2 5.230 7.231 -5.430 1.00 0.00 C ATOM 25 CG LEU A 2 6.313 7.316 -6.503 1.00 0.00 C ATOM 26 CD1 LEU A 2 6.700 5.903 -6.926 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.831 8.048 -7.754 1.00 0.00 C ATOM 0 H LEU A 2 4.836 8.493 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 2 5.037 9.356 -5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.620 6.685 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.388 6.657 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 2 7.152 7.864 -6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.473 5.952 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.079 5.356 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.825 5.390 -7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.636 8.083 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.976 7.521 -8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.536 9.064 -7.490 1.00 0.00 H new ATOM 39 N ILE A 3 2.541 8.812 -5.985 1.00 0.00 N ATOM 40 CA ILE A 3 1.092 8.762 -6.073 1.00 0.00 C ATOM 41 C ILE A 3 0.733 7.966 -7.320 1.00 0.00 C ATOM 42 O ILE A 3 1.316 8.167 -8.385 1.00 0.00 O ATOM 43 CB ILE A 3 0.479 10.172 -6.096 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.628 10.885 -4.745 1.00 0.00 C ATOM 45 CG2 ILE A 3 -1.024 10.080 -6.363 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.953 11.631 -4.597 1.00 0.00 C ATOM 0 H ILE A 3 2.996 9.034 -6.871 1.00 0.00 H new ATOM 0 HA ILE A 3 0.678 8.273 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 3 1.005 10.725 -6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.194 11.591 -4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.541 10.151 -3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.453 11.082 -6.378 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.194 9.598 -7.326 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.498 9.494 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.993 12.112 -3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.780 10.926 -4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.034 12.388 -5.377 1.00 0.00 H new ATOM 58 N LEU A 4 -0.238 7.059 -7.173 1.00 0.00 N ATOM 59 CA LEU A 4 -0.593 6.068 -8.174 1.00 0.00 C ATOM 60 C LEU A 4 -2.106 6.034 -8.353 1.00 0.00 C ATOM 61 O LEU A 4 -2.845 6.514 -7.494 1.00 0.00 O ATOM 62 CB LEU A 4 -0.135 4.689 -7.668 1.00 0.00 C ATOM 63 CG LEU A 4 1.193 4.177 -8.232 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.040 3.896 -9.721 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.348 5.145 -8.004 1.00 0.00 C ATOM 0 H LEU A 4 -0.809 6.999 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.118 6.317 -9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.054 4.731 -6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.912 3.961 -7.902 1.00 0.00 H new ATOM 0 HG LEU A 4 1.438 3.261 -7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.986 3.532 -10.122 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.268 3.142 -9.871 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.757 4.813 -10.237 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.262 4.727 -8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.127 6.096 -8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.482 5.306 -6.934 1.00 0.00 H new ATOM 77 N THR A 5 -2.563 5.460 -9.468 1.00 0.00 N ATOM 78 CA THR A 5 -3.979 5.167 -9.643 1.00 0.00 C ATOM 79 C THR A 5 -4.139 3.770 -10.222 1.00 0.00 C ATOM 80 O THR A 5 -3.545 3.434 -11.246 1.00 0.00 O ATOM 81 CB THR A 5 -4.684 6.185 -10.544 1.00 0.00 C ATOM 82 OG1 THR A 5 -4.150 7.479 -10.370 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.159 6.207 -10.171 1.00 0.00 C ATOM 0 H THR A 5 -1.974 5.192 -10.256 1.00 0.00 H new ATOM 0 HA THR A 5 -4.449 5.228 -8.661 1.00 0.00 H new ATOM 0 HB THR A 5 -4.542 5.895 -11.585 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.371 8.031 -11.149 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.683 6.926 -10.801 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.587 5.215 -10.320 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.266 6.495 -9.125 1.00 0.00 H new ATOM 91 N ARG A 6 -4.953 2.967 -9.546 1.00 0.00 N ATOM 92 CA ARG A 6 -5.312 1.609 -9.936 1.00 0.00 C ATOM 93 C ARG A 6 -6.821 1.482 -9.830 1.00 0.00 C ATOM 94 O ARG A 6 -7.479 2.442 -9.441 1.00 0.00 O ATOM 95 CB ARG A 6 -4.658 0.613 -8.977 1.00 0.00 C ATOM 96 CG ARG A 6 -3.139 0.553 -9.132 1.00 0.00 C ATOM 97 CD ARG A 6 -2.701 -0.582 -10.057 1.00 0.00 C ATOM 98 NE ARG A 6 -3.328 -0.508 -11.380 1.00 0.00 N ATOM 99 CZ ARG A 6 -2.733 -0.862 -12.525 1.00 0.00 C ATOM 100 NH1 ARG A 6 -1.492 -1.346 -12.530 1.00 0.00 N ATOM 101 NH2 ARG A 6 -3.384 -0.734 -13.675 1.00 0.00 N ATOM 0 H ARG A 6 -5.399 3.257 -8.676 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.975 1.402 -10.952 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.904 0.888 -7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.076 -0.379 -9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.777 1.502 -9.527 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.680 0.420 -8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.617 -0.554 -10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.949 -1.538 -9.595 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.286 -0.162 -11.431 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.982 -1.451 -11.653 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.052 -1.612 -13.411 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.335 -0.367 -13.684 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.933 -1.003 -14.549 1.00 0.00 H new ATOM 115 N LYS A 7 -7.376 0.323 -10.166 1.00 0.00 N ATOM 116 CA LYS A 7 -8.784 0.050 -9.908 1.00 0.00 C ATOM 117 C LYS A 7 -8.943 -1.336 -9.319 1.00 0.00 C ATOM 118 O LYS A 7 -7.986 -2.098 -9.234 1.00 0.00 O ATOM 119 CB LYS A 7 -9.670 0.221 -11.146 1.00 0.00 C ATOM 120 CG LYS A 7 -9.283 -0.716 -12.285 1.00 0.00 C ATOM 121 CD LYS A 7 -10.448 -0.864 -13.261 1.00 0.00 C ATOM 122 CE LYS A 7 -11.603 -1.637 -12.621 1.00 0.00 C ATOM 123 NZ LYS A 7 -12.682 -1.877 -13.600 1.00 0.00 N ATOM 0 H LYS A 7 -6.873 -0.441 -10.617 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.125 0.794 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.709 0.041 -10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.606 1.252 -11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.409 -0.326 -12.806 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.007 -1.692 -11.886 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.794 0.122 -13.573 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.112 -1.383 -14.159 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.239 -2.589 -12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.995 -1.077 -11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.454 -2.403 -13.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.042 -0.966 -13.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.310 -2.431 -14.398 1.00 0.00 H new ATOM 137 N VAL A 8 -10.170 -1.653 -8.909 1.00 0.00 N ATOM 138 CA VAL A 8 -10.417 -2.884 -8.183 1.00 0.00 C ATOM 139 C VAL A 8 -9.995 -4.102 -9.001 1.00 0.00 C ATOM 140 O VAL A 8 -10.437 -4.284 -10.135 1.00 0.00 O ATOM 141 CB VAL A 8 -11.862 -2.955 -7.686 1.00 0.00 C ATOM 142 CG1 VAL A 8 -12.204 -1.652 -6.953 1.00 0.00 C ATOM 143 CG2 VAL A 8 -12.918 -3.155 -8.769 1.00 0.00 C ATOM 0 H VAL A 8 -10.997 -1.077 -9.068 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.792 -2.890 -7.290 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.896 -3.836 -7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.233 -1.695 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.531 -1.524 -6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.092 -0.810 -7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.906 -3.192 -8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.876 -2.326 -9.476 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.727 -4.090 -9.295 1.00 0.00 H new ATOM 153 N GLY A 9 -9.130 -4.927 -8.408 1.00 0.00 N ATOM 154 CA GLY A 9 -8.630 -6.136 -9.046 1.00 0.00 C ATOM 155 C GLY A 9 -7.188 -5.990 -9.540 1.00 0.00 C ATOM 156 O GLY A 9 -6.651 -6.930 -10.121 1.00 0.00 O ATOM 0 H GLY A 9 -8.759 -4.771 -7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.686 -6.964 -8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.274 -6.391 -9.888 1.00 0.00 H new ATOM 160 N GLU A 10 -6.561 -4.827 -9.323 1.00 0.00 N ATOM 161 CA GLU A 10 -5.196 -4.568 -9.771 1.00 0.00 C ATOM 162 C GLU A 10 -4.232 -4.508 -8.577 1.00 0.00 C ATOM 163 O GLU A 10 -4.653 -4.689 -7.434 1.00 0.00 O ATOM 164 CB GLU A 10 -5.166 -3.273 -10.588 1.00 0.00 C ATOM 165 CG GLU A 10 -6.113 -3.376 -11.788 1.00 0.00 C ATOM 166 CD GLU A 10 -6.047 -2.129 -12.669 1.00 0.00 C ATOM 167 OE1 GLU A 10 -5.916 -1.020 -12.108 1.00 0.00 O ATOM 168 OE2 GLU A 10 -6.128 -2.300 -13.906 1.00 0.00 O ATOM 0 H GLU A 10 -6.989 -4.042 -8.832 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.863 -5.387 -10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.456 -2.432 -9.959 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.151 -3.077 -10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.856 -4.254 -12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.134 -3.518 -11.434 1.00 0.00 H new ATOM 175 N SER A 11 -2.941 -4.261 -8.834 1.00 0.00 N ATOM 176 CA SER A 11 -1.923 -4.321 -7.788 1.00 0.00 C ATOM 177 C SER A 11 -0.799 -3.301 -7.978 1.00 0.00 C ATOM 178 O SER A 11 -0.671 -2.673 -9.032 1.00 0.00 O ATOM 179 CB SER A 11 -1.320 -5.726 -7.768 1.00 0.00 C ATOM 180 OG SER A 11 -2.294 -6.682 -7.404 1.00 0.00 O ATOM 0 H SER A 11 -2.581 -4.018 -9.757 1.00 0.00 H new ATOM 0 HA SER A 11 -2.415 -4.081 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.916 -5.968 -8.751 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.489 -5.760 -7.064 1.00 0.00 H new ATOM 0 HG SER A 11 -1.890 -7.575 -7.398 1.00 0.00 H new ATOM 186 N ILE A 12 0.011 -3.154 -6.925 1.00 0.00 N ATOM 187 CA ILE A 12 1.180 -2.279 -6.852 1.00 0.00 C ATOM 188 C ILE A 12 2.263 -3.044 -6.086 1.00 0.00 C ATOM 189 O ILE A 12 1.957 -4.040 -5.429 1.00 0.00 O ATOM 190 CB ILE A 12 0.800 -0.948 -6.165 1.00 0.00 C ATOM 191 CG1 ILE A 12 -0.357 -0.283 -6.927 1.00 0.00 C ATOM 192 CG2 ILE A 12 1.990 0.021 -6.095 1.00 0.00 C ATOM 193 CD1 ILE A 12 -0.800 1.042 -6.305 1.00 0.00 C ATOM 0 H ILE A 12 -0.141 -3.669 -6.058 1.00 0.00 H new ATOM 0 HA ILE A 12 1.554 -2.017 -7.842 1.00 0.00 H new ATOM 0 HB ILE A 12 0.495 -1.179 -5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.053 -0.109 -7.959 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.206 -0.966 -6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.679 0.944 -5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.799 -0.437 -5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.337 0.245 -7.104 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.619 1.462 -6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.134 0.870 -5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.037 1.740 -6.301 1.00 0.00 H new ATOM 205 N ASN A 13 3.523 -2.614 -6.149 1.00 0.00 N ATOM 206 CA ASN A 13 4.624 -3.346 -5.538 1.00 0.00 C ATOM 207 C ASN A 13 5.611 -2.413 -4.841 1.00 0.00 C ATOM 208 O ASN A 13 5.734 -1.243 -5.201 1.00 0.00 O ATOM 209 CB ASN A 13 5.344 -4.157 -6.621 1.00 0.00 C ATOM 210 CG ASN A 13 4.460 -5.264 -7.174 1.00 0.00 C ATOM 211 OD1 ASN A 13 3.709 -5.057 -8.120 1.00 0.00 O ATOM 212 ND2 ASN A 13 4.542 -6.453 -6.587 1.00 0.00 N ATOM 0 H ASN A 13 3.804 -1.755 -6.622 1.00 0.00 H new ATOM 0 HA ASN A 13 4.214 -4.010 -4.777 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.647 -3.494 -7.431 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.254 -4.591 -6.207 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.969 -7.228 -6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.178 -6.591 -5.801 1.00 0.00 H new ATOM 219 N ILE A 14 6.315 -2.952 -3.839 1.00 0.00 N ATOM 220 CA ILE A 14 7.318 -2.227 -3.074 1.00 0.00 C ATOM 221 C ILE A 14 8.494 -3.162 -2.798 1.00 0.00 C ATOM 222 O ILE A 14 8.310 -4.370 -2.645 1.00 0.00 O ATOM 223 CB ILE A 14 6.707 -1.706 -1.762 1.00 0.00 C ATOM 224 CG1 ILE A 14 5.471 -0.842 -2.052 1.00 0.00 C ATOM 225 CG2 ILE A 14 7.747 -0.900 -0.976 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.806 -0.331 -0.774 1.00 0.00 C ATOM 0 H ILE A 14 6.197 -3.919 -3.538 1.00 0.00 H new ATOM 0 HA ILE A 14 7.672 -1.366 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 14 6.398 -2.560 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.761 0.006 -2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.750 -1.424 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.302 -0.537 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.601 -1.537 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.079 -0.052 -1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.937 0.274 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.490 -1.178 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.516 0.275 -0.212 1.00 0.00 H new ATOM 238 N GLY A 15 9.708 -2.607 -2.733 1.00 0.00 N ATOM 239 CA GLY A 15 10.918 -3.381 -2.520 1.00 0.00 C ATOM 240 C GLY A 15 11.013 -4.507 -3.543 1.00 0.00 C ATOM 241 O GLY A 15 10.704 -4.317 -4.720 1.00 0.00 O ATOM 0 H GLY A 15 9.871 -1.605 -2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.791 -2.733 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.920 -3.795 -1.512 1.00 0.00 H new ATOM 245 N ASP A 16 11.443 -5.683 -3.086 1.00 0.00 N ATOM 246 CA ASP A 16 11.518 -6.884 -3.908 1.00 0.00 C ATOM 247 C ASP A 16 10.832 -8.045 -3.191 1.00 0.00 C ATOM 248 O ASP A 16 10.947 -9.196 -3.613 1.00 0.00 O ATOM 249 CB ASP A 16 12.982 -7.201 -4.228 1.00 0.00 C ATOM 250 CG ASP A 16 13.604 -6.132 -5.122 1.00 0.00 C ATOM 251 OD1 ASP A 16 13.353 -6.193 -6.348 1.00 0.00 O ATOM 252 OD2 ASP A 16 14.320 -5.264 -4.574 1.00 0.00 O ATOM 0 H ASP A 16 11.752 -5.827 -2.124 1.00 0.00 H new ATOM 0 HA ASP A 16 10.997 -6.720 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.550 -7.277 -3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.046 -8.171 -4.721 1.00 0.00 H new ATOM 257 N ASP A 17 10.118 -7.747 -2.100 1.00 0.00 N ATOM 258 CA ASP A 17 9.462 -8.746 -1.271 1.00 0.00 C ATOM 259 C ASP A 17 8.100 -8.266 -0.768 1.00 0.00 C ATOM 260 O ASP A 17 7.513 -8.912 0.099 1.00 0.00 O ATOM 261 CB ASP A 17 10.362 -9.094 -0.080 1.00 0.00 C ATOM 262 CG ASP A 17 11.703 -9.677 -0.515 1.00 0.00 C ATOM 263 OD1 ASP A 17 11.737 -10.892 -0.816 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.685 -8.904 -0.545 1.00 0.00 O ATOM 0 H ASP A 17 9.982 -6.792 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 17 9.293 -9.631 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.535 -8.198 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.849 -9.810 0.563 1.00 0.00 H new ATOM 269 N ILE A 18 7.578 -7.147 -1.290 1.00 0.00 N ATOM 270 CA ILE A 18 6.284 -6.634 -0.850 1.00 0.00 C ATOM 271 C ILE A 18 5.381 -6.381 -2.053 1.00 0.00 C ATOM 272 O ILE A 18 5.839 -5.982 -3.122 1.00 0.00 O ATOM 273 CB ILE A 18 6.446 -5.350 -0.017 1.00 0.00 C ATOM 274 CG1 ILE A 18 7.368 -5.537 1.192 1.00 0.00 C ATOM 275 CG2 ILE A 18 5.076 -4.891 0.494 1.00 0.00 C ATOM 276 CD1 ILE A 18 8.819 -5.209 0.836 1.00 0.00 C ATOM 0 H ILE A 18 8.032 -6.587 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 18 5.820 -7.387 -0.213 1.00 0.00 H new ATOM 0 HB ILE A 18 6.896 -4.607 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.037 -4.895 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.301 -6.565 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.194 -3.982 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.420 -4.692 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.639 -5.672 1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.450 -5.351 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.156 -5.869 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.887 -4.173 0.504 1.00 0.00 H new ATOM 288 N THR A 19 4.080 -6.614 -1.868 1.00 0.00 N ATOM 289 CA THR A 19 3.062 -6.401 -2.886 1.00 0.00 C ATOM 290 C THR A 19 1.809 -5.832 -2.230 1.00 0.00 C ATOM 291 O THR A 19 1.578 -6.038 -1.037 1.00 0.00 O ATOM 292 CB THR A 19 2.757 -7.728 -3.591 1.00 0.00 C ATOM 293 OG1 THR A 19 3.941 -8.262 -4.139 1.00 0.00 O ATOM 294 CG2 THR A 19 1.744 -7.559 -4.720 1.00 0.00 C ATOM 0 H THR A 19 3.702 -6.963 -0.987 1.00 0.00 H new ATOM 0 HA THR A 19 3.419 -5.691 -3.631 1.00 0.00 H new ATOM 0 HB THR A 19 2.336 -8.398 -2.841 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.741 -9.110 -4.587 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.559 -8.525 -5.190 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.811 -7.167 -4.316 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.138 -6.864 -5.461 1.00 0.00 H new ATOM 302 N ILE A 20 1.000 -5.121 -3.017 1.00 0.00 N ATOM 303 CA ILE A 20 -0.234 -4.495 -2.566 1.00 0.00 C ATOM 304 C ILE A 20 -1.315 -4.791 -3.597 1.00 0.00 C ATOM 305 O ILE A 20 -1.027 -4.852 -4.793 1.00 0.00 O ATOM 306 CB ILE A 20 -0.020 -2.977 -2.448 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.120 -2.619 -1.488 1.00 0.00 C ATOM 308 CG2 ILE A 20 -1.310 -2.279 -2.009 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.798 -2.956 -0.033 1.00 0.00 C ATOM 0 H ILE A 20 1.193 -4.964 -4.006 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.531 -4.883 -1.592 1.00 0.00 H new ATOM 0 HB ILE A 20 0.262 -2.624 -3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.022 -3.152 -1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.337 -1.554 -1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.135 -1.206 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.093 -2.467 -2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.621 -2.666 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.642 -2.680 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.087 -2.403 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.609 -4.026 0.060 1.00 0.00 H new ATOM 321 N THR A 21 -2.558 -4.971 -3.144 1.00 0.00 N ATOM 322 CA THR A 21 -3.671 -5.250 -4.042 1.00 0.00 C ATOM 323 C THR A 21 -4.908 -4.489 -3.585 1.00 0.00 C ATOM 324 O THR A 21 -5.110 -4.283 -2.389 1.00 0.00 O ATOM 325 CB THR A 21 -3.940 -6.759 -4.057 1.00 0.00 C ATOM 326 OG1 THR A 21 -2.756 -7.455 -4.387 1.00 0.00 O ATOM 327 CG2 THR A 21 -5.011 -7.130 -5.086 1.00 0.00 C ATOM 0 H THR A 21 -2.815 -4.928 -2.158 1.00 0.00 H new ATOM 0 HA THR A 21 -3.421 -4.924 -5.052 1.00 0.00 H new ATOM 0 HB THR A 21 -4.289 -7.036 -3.062 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.523 -7.279 -5.322 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.175 -8.207 -5.068 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.942 -6.617 -4.843 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.680 -6.830 -6.080 1.00 0.00 H new ATOM 335 N ILE A 22 -5.737 -4.068 -4.540 1.00 0.00 N ATOM 336 CA ILE A 22 -6.974 -3.343 -4.277 1.00 0.00 C ATOM 337 C ILE A 22 -8.149 -4.293 -4.511 1.00 0.00 C ATOM 338 O ILE A 22 -8.620 -4.449 -5.635 1.00 0.00 O ATOM 339 CB ILE A 22 -7.007 -2.053 -5.122 1.00 0.00 C ATOM 340 CG1 ILE A 22 -8.384 -1.388 -5.179 1.00 0.00 C ATOM 341 CG2 ILE A 22 -6.551 -2.285 -6.563 1.00 0.00 C ATOM 342 CD1 ILE A 22 -8.990 -1.196 -3.801 1.00 0.00 C ATOM 0 H ILE A 22 -5.563 -4.225 -5.533 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.043 -3.011 -3.241 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.313 -1.391 -4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.297 -0.420 -5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.054 -1.997 -5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.593 -1.345 -7.114 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.528 -2.661 -6.565 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.206 -3.014 -7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.966 -0.721 -3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.104 -2.165 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.336 -0.564 -3.201 1.00 0.00 H new ATOM 354 N LEU A 23 -8.619 -4.934 -3.434 1.00 0.00 N ATOM 355 CA LEU A 23 -9.635 -5.971 -3.519 1.00 0.00 C ATOM 356 C LEU A 23 -10.994 -5.422 -3.961 1.00 0.00 C ATOM 357 O LEU A 23 -11.789 -6.165 -4.533 1.00 0.00 O ATOM 358 CB LEU A 23 -9.785 -6.682 -2.165 1.00 0.00 C ATOM 359 CG LEU A 23 -8.468 -7.111 -1.505 1.00 0.00 C ATOM 360 CD1 LEU A 23 -8.774 -7.958 -0.274 1.00 0.00 C ATOM 361 CD2 LEU A 23 -7.592 -7.974 -2.405 1.00 0.00 C ATOM 0 H LEU A 23 -8.301 -4.743 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.301 -6.680 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.317 -6.020 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.409 -7.565 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.937 -6.188 -1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.841 -8.265 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.363 -7.373 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.338 -8.842 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.678 -8.241 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.132 -8.881 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.339 -7.418 -3.308 1.00 0.00 H new ATOM 373 N GLY A 24 -11.274 -4.137 -3.709 1.00 0.00 N ATOM 374 CA GLY A 24 -12.529 -3.526 -4.136 1.00 0.00 C ATOM 375 C GLY A 24 -12.867 -2.266 -3.350 1.00 0.00 C ATOM 376 O GLY A 24 -12.061 -1.807 -2.543 1.00 0.00 O ATOM 0 H GLY A 24 -10.646 -3.505 -3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.467 -3.282 -5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.337 -4.248 -4.022 1.00 0.00 H new ATOM 380 N VAL A 25 -14.054 -1.695 -3.584 1.00 0.00 N ATOM 381 CA VAL A 25 -14.507 -0.496 -2.880 1.00 0.00 C ATOM 382 C VAL A 25 -15.980 -0.596 -2.499 1.00 0.00 C ATOM 383 O VAL A 25 -16.714 -1.433 -3.027 1.00 0.00 O ATOM 384 CB VAL A 25 -14.285 0.766 -3.732 1.00 0.00 C ATOM 385 CG1 VAL A 25 -12.862 0.837 -4.277 1.00 0.00 C ATOM 386 CG2 VAL A 25 -15.273 0.841 -4.896 1.00 0.00 C ATOM 0 H VAL A 25 -14.724 -2.052 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.913 -0.420 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.452 1.615 -3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.745 1.742 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.155 0.855 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.667 -0.036 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.085 1.745 -5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.148 -0.032 -5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.291 0.863 -4.508 1.00 0.00 H new ATOM 396 N SER A 26 -16.405 0.270 -1.578 1.00 0.00 N ATOM 397 CA SER A 26 -17.795 0.387 -1.154 1.00 0.00 C ATOM 398 C SER A 26 -18.059 1.824 -0.703 1.00 0.00 C ATOM 399 O SER A 26 -17.893 2.154 0.470 1.00 0.00 O ATOM 400 CB SER A 26 -18.079 -0.607 -0.026 1.00 0.00 C ATOM 401 OG SER A 26 -19.450 -0.566 0.317 1.00 0.00 O ATOM 0 H SER A 26 -15.780 0.919 -1.100 1.00 0.00 H new ATOM 0 HA SER A 26 -18.461 0.152 -1.984 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.803 -1.614 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.470 -0.366 0.845 1.00 0.00 H new ATOM 0 HG SER A 26 -19.626 -1.205 1.038 1.00 0.00 H new ATOM 407 N GLY A 27 -18.472 2.689 -1.633 1.00 0.00 N ATOM 408 CA GLY A 27 -18.697 4.093 -1.327 1.00 0.00 C ATOM 409 C GLY A 27 -17.361 4.815 -1.176 1.00 0.00 C ATOM 410 O GLY A 27 -16.717 5.129 -2.177 1.00 0.00 O ATOM 0 H GLY A 27 -18.656 2.435 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.283 4.557 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.275 4.185 -0.408 1.00 0.00 H new ATOM 414 N GLN A 28 -16.942 5.079 0.067 1.00 0.00 N ATOM 415 CA GLN A 28 -15.635 5.667 0.325 1.00 0.00 C ATOM 416 C GLN A 28 -14.700 4.615 0.895 1.00 0.00 C ATOM 417 O GLN A 28 -13.486 4.811 0.901 1.00 0.00 O ATOM 418 CB GLN A 28 -15.715 6.810 1.333 1.00 0.00 C ATOM 419 CG GLN A 28 -16.625 7.948 0.885 1.00 0.00 C ATOM 420 CD GLN A 28 -16.400 8.325 -0.580 1.00 0.00 C ATOM 421 OE1 GLN A 28 -17.344 8.373 -1.363 1.00 0.00 O ATOM 422 NE2 GLN A 28 -15.155 8.595 -0.962 1.00 0.00 N ATOM 0 H GLN A 28 -17.493 4.893 0.905 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.265 6.052 -0.625 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.074 6.420 2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.713 7.202 1.507 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.666 7.657 1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.449 8.821 1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.392 8.546 -0.286 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.963 8.851 -1.930 1.00 0.00 H new ATOM 431 N GLN A 29 -15.261 3.503 1.375 1.00 0.00 N ATOM 432 CA GLN A 29 -14.450 2.411 1.863 1.00 0.00 C ATOM 433 C GLN A 29 -13.736 1.784 0.675 1.00 0.00 C ATOM 434 O GLN A 29 -14.262 1.741 -0.437 1.00 0.00 O ATOM 435 CB GLN A 29 -15.321 1.385 2.587 1.00 0.00 C ATOM 436 CG GLN A 29 -15.783 1.943 3.931 1.00 0.00 C ATOM 437 CD GLN A 29 -14.622 2.109 4.904 1.00 0.00 C ATOM 438 OE1 GLN A 29 -13.631 1.390 4.829 1.00 0.00 O ATOM 439 NE2 GLN A 29 -14.739 3.059 5.829 1.00 0.00 N ATOM 0 H GLN A 29 -16.267 3.345 1.432 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.714 2.775 2.580 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.185 1.133 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.759 0.464 2.741 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.269 2.907 3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -16.528 1.276 4.365 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.578 3.638 5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.990 3.208 6.505 1.00 0.00 H new ATOM 448 N VAL A 30 -12.530 1.294 0.929 1.00 0.00 N ATOM 449 CA VAL A 30 -11.668 0.693 -0.065 1.00 0.00 C ATOM 450 C VAL A 30 -11.039 -0.520 0.594 1.00 0.00 C ATOM 451 O VAL A 30 -10.268 -0.383 1.542 1.00 0.00 O ATOM 452 CB VAL A 30 -10.609 1.708 -0.505 1.00 0.00 C ATOM 453 CG1 VAL A 30 -9.669 1.093 -1.533 1.00 0.00 C ATOM 454 CG2 VAL A 30 -11.262 2.930 -1.149 1.00 0.00 C ATOM 0 H VAL A 30 -12.118 1.307 1.862 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.215 0.394 -0.959 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.056 2.002 0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.924 1.831 -1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.168 0.228 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.240 0.779 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.490 3.637 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.834 2.619 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.928 3.407 -0.431 1.00 0.00 H new ATOM 464 N ARG A 31 -11.376 -1.704 0.091 1.00 0.00 N ATOM 465 CA ARG A 31 -10.841 -2.944 0.620 1.00 0.00 C ATOM 466 C ARG A 31 -9.490 -3.189 -0.035 1.00 0.00 C ATOM 467 O ARG A 31 -9.389 -3.184 -1.260 1.00 0.00 O ATOM 468 CB ARG A 31 -11.830 -4.074 0.326 1.00 0.00 C ATOM 469 CG ARG A 31 -11.419 -5.320 1.107 1.00 0.00 C ATOM 470 CD ARG A 31 -12.412 -6.443 0.829 1.00 0.00 C ATOM 471 NE ARG A 31 -12.038 -7.651 1.574 1.00 0.00 N ATOM 472 CZ ARG A 31 -11.849 -8.857 1.033 1.00 0.00 C ATOM 473 NH1 ARG A 31 -12.046 -9.071 -0.264 1.00 0.00 N ATOM 474 NH2 ARG A 31 -11.457 -9.872 1.797 1.00 0.00 N ATOM 0 H ARG A 31 -12.023 -1.826 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.702 -2.895 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.839 -3.772 0.606 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.847 -4.289 -0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.414 -5.629 0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.391 -5.101 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.416 -6.128 1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.437 -6.659 -0.239 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.913 -7.562 2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.348 -8.306 -0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.896 -10.001 -0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.301 -9.729 2.795 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.312 -10.794 1.385 1.00 0.00 H new ATOM 488 N ILE A 32 -8.457 -3.402 0.778 1.00 0.00 N ATOM 489 CA ILE A 32 -7.084 -3.468 0.299 1.00 0.00 C ATOM 490 C ILE A 32 -6.401 -4.689 0.897 1.00 0.00 C ATOM 491 O ILE A 32 -6.799 -5.164 1.958 1.00 0.00 O ATOM 492 CB ILE A 32 -6.326 -2.186 0.691 1.00 0.00 C ATOM 493 CG1 ILE A 32 -7.217 -0.951 0.509 1.00 0.00 C ATOM 494 CG2 ILE A 32 -5.051 -2.054 -0.149 1.00 0.00 C ATOM 495 CD1 ILE A 32 -6.459 0.361 0.709 1.00 0.00 C ATOM 0 H ILE A 32 -8.551 -3.533 1.785 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.082 -3.552 -0.788 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.050 -2.253 1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.651 -0.966 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.045 -0.998 1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.521 -1.145 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.409 -2.918 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.315 -2.006 -1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.140 1.200 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.048 0.393 1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.648 0.427 -0.016 1.00 0.00 H new ATOM 507 N GLY A 33 -5.377 -5.193 0.216 1.00 0.00 N ATOM 508 CA GLY A 33 -4.597 -6.322 0.681 1.00 0.00 C ATOM 509 C GLY A 33 -3.112 -5.995 0.608 1.00 0.00 C ATOM 510 O GLY A 33 -2.687 -5.152 -0.180 1.00 0.00 O ATOM 0 H GLY A 33 -5.067 -4.822 -0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.874 -6.568 1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.815 -7.200 0.073 1.00 0.00 H new ATOM 514 N ILE A 34 -2.325 -6.671 1.444 1.00 0.00 N ATOM 515 CA ILE A 34 -0.897 -6.433 1.576 1.00 0.00 C ATOM 516 C ILE A 34 -0.205 -7.772 1.726 1.00 0.00 C ATOM 517 O ILE A 34 -0.731 -8.678 2.371 1.00 0.00 O ATOM 518 CB ILE A 34 -0.625 -5.563 2.812 1.00 0.00 C ATOM 519 CG1 ILE A 34 -1.438 -4.262 2.753 1.00 0.00 C ATOM 520 CG2 ILE A 34 0.874 -5.271 2.913 1.00 0.00 C ATOM 521 CD1 ILE A 34 -1.332 -3.476 4.058 1.00 0.00 C ATOM 0 H ILE A 34 -2.672 -7.410 2.056 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.520 -5.912 0.696 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.938 -6.105 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.082 -3.647 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.484 -4.494 2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.066 -4.654 3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.422 -6.209 3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.203 -4.742 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.920 -2.561 3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.712 -4.083 4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.289 -3.222 4.246 1.00 0.00 H new ATOM 533 N ASN A 35 0.981 -7.907 1.137 1.00 0.00 N ATOM 534 CA ASN A 35 1.687 -9.167 1.139 1.00 0.00 C ATOM 535 C ASN A 35 3.176 -8.922 1.342 1.00 0.00 C ATOM 536 O ASN A 35 3.855 -8.451 0.434 1.00 0.00 O ATOM 537 CB ASN A 35 1.377 -9.876 -0.177 1.00 0.00 C ATOM 538 CG ASN A 35 1.763 -11.348 -0.149 1.00 0.00 C ATOM 539 OD1 ASN A 35 2.759 -11.737 0.456 1.00 0.00 O ATOM 540 ND2 ASN A 35 0.963 -12.175 -0.813 1.00 0.00 N ATOM 0 H ASN A 35 1.467 -7.152 0.653 1.00 0.00 H new ATOM 0 HA ASN A 35 1.365 -9.807 1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.312 -9.787 -0.392 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.909 -9.379 -0.988 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.166 -13.174 -0.833 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.146 -11.811 -1.302 1.00 0.00 H new ATOM 547 N ALA A 36 3.661 -9.242 2.544 1.00 0.00 N ATOM 548 CA ALA A 36 5.055 -9.082 2.911 1.00 0.00 C ATOM 549 C ALA A 36 5.463 -10.161 3.911 1.00 0.00 C ATOM 550 O ALA A 36 4.609 -10.717 4.605 1.00 0.00 O ATOM 551 CB ALA A 36 5.250 -7.706 3.549 1.00 0.00 C ATOM 0 H ALA A 36 3.083 -9.623 3.293 1.00 0.00 H new ATOM 0 HA ALA A 36 5.673 -9.172 2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.296 -7.579 3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.968 -6.931 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.625 -7.626 4.439 1.00 0.00 H new ATOM 557 N PRO A 37 6.765 -10.456 3.994 1.00 0.00 N ATOM 558 CA PRO A 37 7.316 -11.388 4.959 1.00 0.00 C ATOM 559 C PRO A 37 7.144 -10.873 6.387 1.00 0.00 C ATOM 560 O PRO A 37 6.957 -9.679 6.608 1.00 0.00 O ATOM 561 CB PRO A 37 8.800 -11.501 4.600 1.00 0.00 C ATOM 562 CG PRO A 37 9.116 -10.217 3.837 1.00 0.00 C ATOM 563 CD PRO A 37 7.802 -9.901 3.138 1.00 0.00 C ATOM 0 HA PRO A 37 6.809 -12.352 4.922 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.417 -11.592 5.494 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.993 -12.382 3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.420 -9.413 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.928 -10.361 3.124 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.673 -8.826 3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.770 -10.345 2.143 1.00 0.00 H new ATOM 571 N LYS A 38 7.209 -11.776 7.368 1.00 0.00 N ATOM 572 CA LYS A 38 7.158 -11.395 8.776 1.00 0.00 C ATOM 573 C LYS A 38 8.478 -10.762 9.217 1.00 0.00 C ATOM 574 O LYS A 38 8.625 -10.351 10.368 1.00 0.00 O ATOM 575 CB LYS A 38 6.797 -12.617 9.625 1.00 0.00 C ATOM 576 CG LYS A 38 5.372 -13.076 9.293 1.00 0.00 C ATOM 577 CD LYS A 38 4.336 -12.070 9.802 1.00 0.00 C ATOM 578 CE LYS A 38 3.986 -12.317 11.269 1.00 0.00 C ATOM 579 NZ LYS A 38 3.257 -13.590 11.442 1.00 0.00 N ATOM 0 H LYS A 38 7.297 -12.780 7.209 1.00 0.00 H new ATOM 0 HA LYS A 38 6.384 -10.641 8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.503 -13.425 9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.872 -12.371 10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.267 -13.196 8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.187 -14.052 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.723 -11.058 9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.433 -12.138 9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.899 -12.335 11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.377 -11.494 11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.719 -13.564 12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.602 -13.726 10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.936 -14.378 11.471 1.00 0.00 H new ATOM 593 N ASP A 39 9.427 -10.686 8.285 1.00 0.00 N ATOM 594 CA ASP A 39 10.686 -9.974 8.460 1.00 0.00 C ATOM 595 C ASP A 39 10.451 -8.464 8.483 1.00 0.00 C ATOM 596 O ASP A 39 11.372 -7.691 8.761 1.00 0.00 O ATOM 597 CB ASP A 39 11.622 -10.325 7.307 1.00 0.00 C ATOM 598 CG ASP A 39 12.113 -11.764 7.413 1.00 0.00 C ATOM 599 OD1 ASP A 39 13.148 -11.972 8.083 1.00 0.00 O ATOM 600 OD2 ASP A 39 11.450 -12.648 6.827 1.00 0.00 O ATOM 0 H ASP A 39 9.338 -11.127 7.370 1.00 0.00 H new ATOM 0 HA ASP A 39 11.132 -10.271 9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.104 -10.184 6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.475 -9.646 7.308 1.00 0.00 H new ATOM 605 N VAL A 40 9.218 -8.045 8.193 1.00 0.00 N ATOM 606 CA VAL A 40 8.806 -6.651 8.197 1.00 0.00 C ATOM 607 C VAL A 40 7.430 -6.555 8.843 1.00 0.00 C ATOM 608 O VAL A 40 6.770 -7.572 9.059 1.00 0.00 O ATOM 609 CB VAL A 40 8.795 -6.076 6.775 1.00 0.00 C ATOM 610 CG1 VAL A 40 10.152 -6.288 6.099 1.00 0.00 C ATOM 611 CG2 VAL A 40 7.741 -6.747 5.897 1.00 0.00 C ATOM 0 H VAL A 40 8.464 -8.685 7.944 1.00 0.00 H new ATOM 0 HA VAL A 40 9.518 -6.059 8.771 1.00 0.00 H new ATOM 0 HB VAL A 40 8.568 -5.014 6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.125 -5.874 5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.929 -5.787 6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.370 -7.355 6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.767 -6.310 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.949 -7.815 5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.754 -6.596 6.334 1.00 0.00 H new ATOM 621 N ALA A 41 6.988 -5.337 9.152 1.00 0.00 N ATOM 622 CA ALA A 41 5.739 -5.143 9.862 1.00 0.00 C ATOM 623 C ALA A 41 4.720 -4.426 8.987 1.00 0.00 C ATOM 624 O ALA A 41 5.081 -3.787 8.001 1.00 0.00 O ATOM 625 CB ALA A 41 6.021 -4.362 11.146 1.00 0.00 C ATOM 0 H ALA A 41 7.481 -4.475 8.919 1.00 0.00 H new ATOM 0 HA ALA A 41 5.309 -6.111 10.119 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.089 -4.209 11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.717 -4.924 11.769 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.458 -3.395 10.895 1.00 0.00 H new ATOM 631 N VAL A 42 3.441 -4.533 9.345 1.00 0.00 N ATOM 632 CA VAL A 42 2.372 -3.823 8.656 1.00 0.00 C ATOM 633 C VAL A 42 1.181 -3.674 9.594 1.00 0.00 C ATOM 634 O VAL A 42 0.733 -4.651 10.194 1.00 0.00 O ATOM 635 CB VAL A 42 1.984 -4.560 7.365 1.00 0.00 C ATOM 636 CG1 VAL A 42 1.986 -6.077 7.541 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.609 -4.126 6.864 1.00 0.00 C ATOM 0 H VAL A 42 3.120 -5.114 10.120 1.00 0.00 H new ATOM 0 HA VAL A 42 2.716 -2.828 8.372 1.00 0.00 H new ATOM 0 HB VAL A 42 2.742 -4.291 6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.705 -6.553 6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.983 -6.408 7.832 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.271 -6.354 8.316 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.367 -4.668 5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.141 -4.345 7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.617 -3.055 6.660 1.00 0.00 H new ATOM 647 N HIS A 43 0.663 -2.450 9.716 1.00 0.00 N ATOM 648 CA HIS A 43 -0.509 -2.161 10.529 1.00 0.00 C ATOM 649 C HIS A 43 -1.209 -0.913 9.999 1.00 0.00 C ATOM 650 O HIS A 43 -0.705 -0.250 9.095 1.00 0.00 O ATOM 651 CB HIS A 43 -0.121 -1.912 11.991 1.00 0.00 C ATOM 652 CG HIS A 43 0.972 -2.795 12.541 1.00 0.00 C ATOM 653 ND1 HIS A 43 0.772 -3.962 13.278 1.00 0.00 N ATOM 654 CD2 HIS A 43 2.309 -2.574 12.398 1.00 0.00 C ATOM 655 CE1 HIS A 43 2.002 -4.413 13.567 1.00 0.00 C ATOM 656 NE2 HIS A 43 2.940 -3.603 13.055 1.00 0.00 N ATOM 0 H HIS A 43 1.051 -1.630 9.249 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.172 -3.025 10.476 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.192 -0.873 12.092 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.010 -2.038 12.609 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.119 -4.383 13.541 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.778 -1.755 11.874 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.209 -5.308 14.135 1.00 0.00 H new ATOM 664 N ARG A 44 -2.374 -0.589 10.565 1.00 0.00 N ATOM 665 CA ARG A 44 -3.069 0.646 10.242 1.00 0.00 C ATOM 666 C ARG A 44 -2.327 1.788 10.915 1.00 0.00 C ATOM 667 O ARG A 44 -1.541 1.554 11.834 1.00 0.00 O ATOM 668 CB ARG A 44 -4.513 0.563 10.743 1.00 0.00 C ATOM 669 CG ARG A 44 -5.265 -0.549 10.005 1.00 0.00 C ATOM 670 CD ARG A 44 -6.693 -0.677 10.530 1.00 0.00 C ATOM 671 NE ARG A 44 -6.710 -1.126 11.924 1.00 0.00 N ATOM 672 CZ ARG A 44 -7.047 -0.360 12.964 1.00 0.00 C ATOM 673 NH1 ARG A 44 -7.375 0.920 12.810 1.00 0.00 N ATOM 674 NH2 ARG A 44 -7.058 -0.869 14.188 1.00 0.00 N ATOM 0 H ARG A 44 -2.853 -1.172 11.252 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.094 0.811 9.165 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.523 0.369 11.816 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.015 1.518 10.587 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.283 -0.335 8.936 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.740 -1.496 10.132 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.200 0.285 10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.248 -1.383 9.912 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.446 -2.093 12.114 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.373 1.339 11.880 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.629 1.483 13.622 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.809 -1.847 14.336 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.316 -0.283 14.982 1.00 0.00 H new ATOM 688 N GLU A 45 -2.563 3.025 10.477 1.00 0.00 N ATOM 689 CA GLU A 45 -1.877 4.167 11.058 1.00 0.00 C ATOM 690 C GLU A 45 -2.186 4.268 12.554 1.00 0.00 C ATOM 691 O GLU A 45 -1.373 4.774 13.325 1.00 0.00 O ATOM 692 CB GLU A 45 -2.289 5.423 10.282 1.00 0.00 C ATOM 693 CG GLU A 45 -1.363 6.624 10.512 1.00 0.00 C ATOM 694 CD GLU A 45 -1.511 7.250 11.897 1.00 0.00 C ATOM 695 OE1 GLU A 45 -2.670 7.471 12.318 1.00 0.00 O ATOM 696 OE2 GLU A 45 -0.458 7.505 12.521 1.00 0.00 O ATOM 0 H GLU A 45 -3.218 3.255 9.730 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.796 4.053 10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.310 5.191 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.304 5.699 10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.329 6.308 10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.569 7.381 9.756 1.00 0.00 H new ATOM 703 N GLU A 46 -3.358 3.781 12.971 1.00 0.00 N ATOM 704 CA GLU A 46 -3.766 3.785 14.364 1.00 0.00 C ATOM 705 C GLU A 46 -2.872 2.884 15.209 1.00 0.00 C ATOM 706 O GLU A 46 -2.537 3.222 16.344 1.00 0.00 O ATOM 707 CB GLU A 46 -5.206 3.269 14.440 1.00 0.00 C ATOM 708 CG GLU A 46 -5.756 3.349 15.865 1.00 0.00 C ATOM 709 CD GLU A 46 -7.214 2.895 15.917 1.00 0.00 C ATOM 710 OE1 GLU A 46 -7.488 1.765 15.447 1.00 0.00 O ATOM 711 OE2 GLU A 46 -8.050 3.676 16.429 1.00 0.00 O ATOM 0 H GLU A 46 -4.049 3.372 12.342 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.687 4.800 14.752 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.839 3.853 13.771 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.242 2.237 14.092 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.154 2.726 16.526 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.677 4.372 16.232 1.00 0.00 H new ATOM 718 N ILE A 47 -2.482 1.731 14.657 1.00 0.00 N ATOM 719 CA ILE A 47 -1.770 0.709 15.409 1.00 0.00 C ATOM 720 C ILE A 47 -0.261 0.900 15.287 1.00 0.00 C ATOM 721 O ILE A 47 0.479 0.515 16.189 1.00 0.00 O ATOM 722 CB ILE A 47 -2.180 -0.667 14.874 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.702 -0.833 14.794 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.583 -1.777 15.742 1.00 0.00 C ATOM 725 CD1 ILE A 47 -4.408 -0.458 16.096 1.00 0.00 C ATOM 0 H ILE A 47 -2.653 1.486 13.682 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.029 0.788 16.465 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.787 -0.743 13.860 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.088 -0.213 13.985 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.937 -1.867 14.543 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.884 -2.748 15.349 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.496 -1.702 15.731 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.944 -1.673 16.765 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.483 -0.595 15.980 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.046 -1.095 16.903 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.199 0.585 16.336 1.00 0.00 H new ATOM 737 N TYR A 48 0.192 1.496 14.182 1.00 0.00 N ATOM 738 CA TYR A 48 1.606 1.739 13.936 1.00 0.00 C ATOM 739 C TYR A 48 2.227 2.549 15.070 1.00 0.00 C ATOM 740 O TYR A 48 3.414 2.412 15.361 1.00 0.00 O ATOM 741 CB TYR A 48 1.737 2.492 12.614 1.00 0.00 C ATOM 742 CG TYR A 48 3.156 2.827 12.216 1.00 0.00 C ATOM 743 CD1 TYR A 48 3.955 1.868 11.575 1.00 0.00 C ATOM 744 CD2 TYR A 48 3.670 4.108 12.480 1.00 0.00 C ATOM 745 CE1 TYR A 48 5.259 2.195 11.171 1.00 0.00 C ATOM 746 CE2 TYR A 48 4.965 4.445 12.064 1.00 0.00 C ATOM 747 CZ TYR A 48 5.765 3.490 11.403 1.00 0.00 C ATOM 748 OH TYR A 48 7.025 3.809 10.993 1.00 0.00 O ATOM 0 H TYR A 48 -0.418 1.823 13.433 1.00 0.00 H new ATOM 0 HA TYR A 48 2.137 0.788 13.884 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.284 1.893 11.824 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.165 3.417 12.680 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.566 0.877 11.392 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.066 4.834 13.004 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.875 1.454 10.682 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.351 5.437 12.250 1.00 0.00 H new ATOM 0 HH TYR A 48 7.220 4.740 11.228 1.00 0.00 H new ATOM 1211 N MET C 1 0.275 -12.223 4.407 1.00 0.00 N ATOM 1212 CA MET C 1 -0.857 -11.555 3.736 1.00 0.00 C ATOM 1213 C MET C 1 -1.747 -10.879 4.770 1.00 0.00 C ATOM 1214 O MET C 1 -2.021 -11.465 5.810 1.00 0.00 O ATOM 1215 CB MET C 1 -1.677 -12.566 2.930 1.00 0.00 C ATOM 1216 CG MET C 1 -2.863 -11.919 2.210 1.00 0.00 C ATOM 1217 SD MET C 1 -2.420 -10.749 0.899 1.00 0.00 S ATOM 1218 CE MET C 1 -4.094 -10.342 0.350 1.00 0.00 C ATOM 0 H1 MET C 1 0.535 -13.080 3.879 1.00 0.00 H new ATOM 0 H2 MET C 1 1.089 -11.577 4.440 1.00 0.00 H new ATOM 0 H3 MET C 1 -0.000 -12.483 5.376 1.00 0.00 H new ATOM 0 HA MET C 1 -0.460 -10.803 3.054 1.00 0.00 H new ATOM 0 HB2 MET C 1 -1.032 -13.050 2.197 1.00 0.00 H new ATOM 0 HB3 MET C 1 -2.043 -13.346 3.597 1.00 0.00 H new ATOM 0 HG2 MET C 1 -3.480 -12.707 1.779 1.00 0.00 H new ATOM 0 HG3 MET C 1 -3.476 -11.400 2.947 1.00 0.00 H new ATOM 0 HE1 MET C 1 -4.068 -10.026 -0.693 1.00 0.00 H new ATOM 0 HE2 MET C 1 -4.732 -11.220 0.447 1.00 0.00 H new ATOM 0 HE3 MET C 1 -4.492 -9.534 0.964 1.00 0.00 H new ATOM 1230 N LEU C 2 -2.202 -9.655 4.497 1.00 0.00 N ATOM 1231 CA LEU C 2 -3.154 -8.960 5.344 1.00 0.00 C ATOM 1232 C LEU C 2 -4.194 -8.278 4.469 1.00 0.00 C ATOM 1233 O LEU C 2 -3.933 -7.984 3.303 1.00 0.00 O ATOM 1234 CB LEU C 2 -2.437 -7.909 6.198 1.00 0.00 C ATOM 1235 CG LEU C 2 -2.248 -8.334 7.654 1.00 0.00 C ATOM 1236 CD1 LEU C 2 -1.535 -7.213 8.405 1.00 0.00 C ATOM 1237 CD2 LEU C 2 -3.578 -8.611 8.352 1.00 0.00 C ATOM 0 H LEU C 2 -1.915 -9.121 3.677 1.00 0.00 H new ATOM 0 HA LEU C 2 -3.637 -9.680 6.005 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -1.462 -7.699 5.759 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -3.006 -6.980 6.170 1.00 0.00 H new ATOM 0 HG LEU C 2 -1.664 -9.254 7.658 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -1.394 -7.504 9.446 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -0.564 -7.027 7.946 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -2.137 -6.305 8.361 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -3.392 -8.910 9.384 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -4.190 -7.709 8.340 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -4.102 -9.412 7.831 1.00 0.00 H new ATOM 1249 N ILE C 3 -5.373 -8.026 5.037 1.00 0.00 N ATOM 1250 CA ILE C 3 -6.456 -7.335 4.358 1.00 0.00 C ATOM 1251 C ILE C 3 -7.015 -6.288 5.307 1.00 0.00 C ATOM 1252 O ILE C 3 -7.008 -6.478 6.524 1.00 0.00 O ATOM 1253 CB ILE C 3 -7.544 -8.324 3.914 1.00 0.00 C ATOM 1254 CG1 ILE C 3 -7.022 -9.263 2.821 1.00 0.00 C ATOM 1255 CG2 ILE C 3 -8.746 -7.578 3.330 1.00 0.00 C ATOM 1256 CD1 ILE C 3 -6.358 -10.502 3.403 1.00 0.00 C ATOM 0 H ILE C 3 -5.600 -8.301 5.993 1.00 0.00 H new ATOM 0 HA ILE C 3 -6.084 -6.851 3.455 1.00 0.00 H new ATOM 0 HB ILE C 3 -7.833 -8.893 4.798 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -7.848 -9.563 2.176 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -6.307 -8.729 2.195 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -9.505 -8.297 3.022 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -9.163 -6.912 4.085 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -8.427 -6.994 2.467 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -6.003 -11.139 2.593 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -5.515 -10.204 4.026 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -7.080 -11.052 4.007 1.00 0.00 H new ATOM 1268 N LEU C 4 -7.497 -5.184 4.742 1.00 0.00 N ATOM 1269 CA LEU C 4 -8.027 -4.056 5.485 1.00 0.00 C ATOM 1270 C LEU C 4 -9.170 -3.413 4.708 1.00 0.00 C ATOM 1271 O LEU C 4 -9.352 -3.684 3.519 1.00 0.00 O ATOM 1272 CB LEU C 4 -6.924 -3.007 5.672 1.00 0.00 C ATOM 1273 CG LEU C 4 -5.761 -3.469 6.556 1.00 0.00 C ATOM 1274 CD1 LEU C 4 -4.714 -2.363 6.528 1.00 0.00 C ATOM 1275 CD2 LEU C 4 -6.198 -3.693 8.000 1.00 0.00 C ATOM 0 H LEU C 4 -7.528 -5.051 3.731 1.00 0.00 H new ATOM 0 HA LEU C 4 -8.386 -4.409 6.452 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -6.533 -2.729 4.693 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -7.362 -2.109 6.108 1.00 0.00 H new ATOM 0 HG LEU C 4 -5.376 -4.416 6.178 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -3.864 -2.651 7.147 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -4.379 -2.205 5.503 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -5.148 -1.441 6.914 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -5.343 -4.020 8.592 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -6.589 -2.762 8.410 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -6.974 -4.458 8.031 1.00 0.00 H new ATOM 1287 N THR C 5 -9.941 -2.559 5.383 1.00 0.00 N ATOM 1288 CA THR C 5 -10.953 -1.745 4.726 1.00 0.00 C ATOM 1289 C THR C 5 -10.845 -0.320 5.248 1.00 0.00 C ATOM 1290 O THR C 5 -11.383 0.011 6.303 1.00 0.00 O ATOM 1291 CB THR C 5 -12.362 -2.327 4.903 1.00 0.00 C ATOM 1292 OG1 THR C 5 -12.314 -3.720 5.138 1.00 0.00 O ATOM 1293 CG2 THR C 5 -13.172 -2.098 3.628 1.00 0.00 C ATOM 0 H THR C 5 -9.879 -2.416 6.391 1.00 0.00 H new ATOM 0 HA THR C 5 -10.774 -1.743 3.651 1.00 0.00 H new ATOM 0 HB THR C 5 -12.822 -1.830 5.757 1.00 0.00 H new ATOM 0 HG1 THR C 5 -13.225 -4.065 5.249 1.00 0.00 H new ATOM 0 HG21 THR C 5 -14.173 -2.511 3.754 1.00 0.00 H new ATOM 0 HG22 THR C 5 -13.243 -1.029 3.429 1.00 0.00 H new ATOM 0 HG23 THR C 5 -12.679 -2.590 2.790 1.00 0.00 H new ATOM 1301 N ARG C 6 -10.138 0.519 4.489 1.00 0.00 N ATOM 1302 CA ARG C 6 -9.846 1.905 4.829 1.00 0.00 C ATOM 1303 C ARG C 6 -10.696 2.838 3.966 1.00 0.00 C ATOM 1304 O ARG C 6 -11.202 2.392 2.943 1.00 0.00 O ATOM 1305 CB ARG C 6 -8.347 2.097 4.536 1.00 0.00 C ATOM 1306 CG ARG C 6 -7.697 3.322 5.174 1.00 0.00 C ATOM 1307 CD ARG C 6 -7.480 3.136 6.680 1.00 0.00 C ATOM 1308 NE ARG C 6 -8.735 3.278 7.424 1.00 0.00 N ATOM 1309 CZ ARG C 6 -9.261 2.382 8.259 1.00 0.00 C ATOM 1310 NH1 ARG C 6 -8.669 1.209 8.478 1.00 0.00 N ATOM 1311 NH2 ARG C 6 -10.399 2.662 8.883 1.00 0.00 N ATOM 0 H ARG C 6 -9.742 0.239 3.592 1.00 0.00 H new ATOM 0 HA ARG C 6 -10.075 2.133 5.870 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -7.813 1.209 4.874 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -8.212 2.159 3.456 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -6.740 3.518 4.691 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -8.325 4.196 5.003 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -7.053 2.151 6.868 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.758 3.870 7.038 1.00 0.00 H new ATOM 0 HE ARG C 6 -9.255 4.145 7.290 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -7.796 0.982 8.003 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -9.089 0.538 9.121 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -10.863 3.556 8.721 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -10.810 1.983 9.524 1.00 0.00 H new ATOM 1325 N LYS C 7 -10.866 4.117 4.337 1.00 0.00 N ATOM 1326 CA LYS C 7 -11.567 5.058 3.459 1.00 0.00 C ATOM 1327 C LYS C 7 -10.691 6.251 3.097 1.00 0.00 C ATOM 1328 O LYS C 7 -9.630 6.466 3.683 1.00 0.00 O ATOM 1329 CB LYS C 7 -12.916 5.531 4.014 1.00 0.00 C ATOM 1330 CG LYS C 7 -12.805 6.306 5.327 1.00 0.00 C ATOM 1331 CD LYS C 7 -14.171 6.910 5.655 1.00 0.00 C ATOM 1332 CE LYS C 7 -14.088 7.897 6.817 1.00 0.00 C ATOM 1333 NZ LYS C 7 -13.616 7.249 8.058 1.00 0.00 N ATOM 0 H LYS C 7 -10.536 4.513 5.217 1.00 0.00 H new ATOM 0 HA LYS C 7 -11.785 4.494 2.552 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -13.403 6.162 3.271 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -13.559 4.665 4.168 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -12.481 5.644 6.130 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -12.055 7.092 5.240 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -14.566 7.417 4.774 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -14.871 6.113 5.904 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -13.413 8.712 6.554 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -15.070 8.339 6.989 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -14.105 7.667 8.875 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -13.819 6.230 8.016 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -12.591 7.394 8.157 1.00 0.00 H new ATOM 1347 N VAL C 8 -11.157 7.022 2.116 1.00 0.00 N ATOM 1348 CA VAL C 8 -10.377 8.106 1.541 1.00 0.00 C ATOM 1349 C VAL C 8 -9.948 9.117 2.597 1.00 0.00 C ATOM 1350 O VAL C 8 -10.755 9.561 3.414 1.00 0.00 O ATOM 1351 CB VAL C 8 -11.116 8.750 0.364 1.00 0.00 C ATOM 1352 CG1 VAL C 8 -11.591 7.661 -0.601 1.00 0.00 C ATOM 1353 CG2 VAL C 8 -12.331 9.580 0.761 1.00 0.00 C ATOM 0 H VAL C 8 -12.082 6.910 1.702 1.00 0.00 H new ATOM 0 HA VAL C 8 -9.456 7.683 1.141 1.00 0.00 H new ATOM 0 HB VAL C 8 -10.396 9.427 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -12.117 8.121 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -10.731 7.105 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -12.264 6.981 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -12.794 9.999 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -13.051 8.946 1.279 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -12.019 10.389 1.421 1.00 0.00 H new ATOM 1363 N GLY C 9 -8.664 9.472 2.565 1.00 0.00 N ATOM 1364 CA GLY C 9 -8.099 10.464 3.461 1.00 0.00 C ATOM 1365 C GLY C 9 -7.428 9.836 4.685 1.00 0.00 C ATOM 1366 O GLY C 9 -6.920 10.558 5.541 1.00 0.00 O ATOM 0 H GLY C 9 -7.989 9.074 1.912 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -7.369 11.064 2.919 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -8.887 11.141 3.790 1.00 0.00 H new ATOM 1370 N GLU C 10 -7.419 8.502 4.771 1.00 0.00 N ATOM 1371 CA GLU C 10 -6.806 7.791 5.891 1.00 0.00 C ATOM 1372 C GLU C 10 -5.517 7.095 5.435 1.00 0.00 C ATOM 1373 O GLU C 10 -5.149 7.185 4.264 1.00 0.00 O ATOM 1374 CB GLU C 10 -7.821 6.809 6.474 1.00 0.00 C ATOM 1375 CG GLU C 10 -9.064 7.552 6.969 1.00 0.00 C ATOM 1376 CD GLU C 10 -10.133 6.601 7.495 1.00 0.00 C ATOM 1377 OE1 GLU C 10 -10.216 5.471 6.965 1.00 0.00 O ATOM 1378 OE2 GLU C 10 -10.865 7.008 8.422 1.00 0.00 O ATOM 0 H GLU C 10 -7.835 7.890 4.069 1.00 0.00 H new ATOM 0 HA GLU C 10 -6.526 8.493 6.676 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.105 6.078 5.717 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -7.369 6.256 7.297 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -8.779 8.248 7.758 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.478 8.146 6.155 1.00 0.00 H new ATOM 1385 N SER C 11 -4.828 6.400 6.347 1.00 0.00 N ATOM 1386 CA SER C 11 -3.499 5.872 6.060 1.00 0.00 C ATOM 1387 C SER C 11 -3.248 4.492 6.666 1.00 0.00 C ATOM 1388 O SER C 11 -4.016 4.006 7.496 1.00 0.00 O ATOM 1389 CB SER C 11 -2.450 6.851 6.595 1.00 0.00 C ATOM 1390 OG SER C 11 -2.635 8.133 6.034 1.00 0.00 O ATOM 0 H SER C 11 -5.171 6.193 7.285 1.00 0.00 H new ATOM 0 HA SER C 11 -3.428 5.759 4.978 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.520 6.910 7.681 1.00 0.00 H new ATOM 0 HB3 SER C 11 -1.450 6.486 6.359 1.00 0.00 H new ATOM 0 HG SER C 11 -1.957 8.746 6.388 1.00 0.00 H new ATOM 1396 N ILE C 12 -2.148 3.874 6.225 1.00 0.00 N ATOM 1397 CA ILE C 12 -1.685 2.550 6.633 1.00 0.00 C ATOM 1398 C ILE C 12 -0.151 2.611 6.652 1.00 0.00 C ATOM 1399 O ILE C 12 0.426 3.560 6.122 1.00 0.00 O ATOM 1400 CB ILE C 12 -2.205 1.490 5.636 1.00 0.00 C ATOM 1401 CG1 ILE C 12 -3.717 1.658 5.398 1.00 0.00 C ATOM 1402 CG2 ILE C 12 -1.891 0.064 6.116 1.00 0.00 C ATOM 1403 CD1 ILE C 12 -4.248 0.699 4.332 1.00 0.00 C ATOM 0 H ILE C 12 -1.528 4.307 5.540 1.00 0.00 H new ATOM 0 HA ILE C 12 -2.058 2.269 7.618 1.00 0.00 H new ATOM 0 HB ILE C 12 -1.686 1.646 4.691 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.251 1.489 6.333 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -3.923 2.685 5.095 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.271 -0.656 5.391 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -0.812 -0.057 6.216 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -2.367 -0.108 7.081 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -5.319 0.857 4.201 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -3.736 0.885 3.388 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -4.069 -0.329 4.646 1.00 0.00 H new ATOM 1415 N ASN C 13 0.529 1.627 7.246 1.00 0.00 N ATOM 1416 CA ASN C 13 1.983 1.649 7.356 1.00 0.00 C ATOM 1417 C ASN C 13 2.599 0.269 7.132 1.00 0.00 C ATOM 1418 O ASN C 13 1.946 -0.756 7.332 1.00 0.00 O ATOM 1419 CB ASN C 13 2.387 2.167 8.738 1.00 0.00 C ATOM 1420 CG ASN C 13 2.064 3.643 8.913 1.00 0.00 C ATOM 1421 OD1 ASN C 13 0.963 4.002 9.319 1.00 0.00 O ATOM 1422 ND2 ASN C 13 3.028 4.506 8.610 1.00 0.00 N ATOM 0 H ASN C 13 0.090 0.804 7.658 1.00 0.00 H new ATOM 0 HA ASN C 13 2.360 2.312 6.577 1.00 0.00 H new ATOM 0 HB2 ASN C 13 1.871 1.590 9.506 1.00 0.00 H new ATOM 0 HB3 ASN C 13 3.456 2.010 8.885 1.00 0.00 H new ATOM 0 HD21 ASN C 13 2.866 5.508 8.712 1.00 0.00 H new ATOM 0 HD22 ASN C 13 3.930 4.167 8.275 1.00 0.00 H new ATOM 1429 N ILE C 14 3.871 0.263 6.716 1.00 0.00 N ATOM 1430 CA ILE C 14 4.637 -0.949 6.445 1.00 0.00 C ATOM 1431 C ILE C 14 6.079 -0.738 6.910 1.00 0.00 C ATOM 1432 O ILE C 14 6.563 0.394 6.962 1.00 0.00 O ATOM 1433 CB ILE C 14 4.592 -1.281 4.943 1.00 0.00 C ATOM 1434 CG1 ILE C 14 3.138 -1.333 4.440 1.00 0.00 C ATOM 1435 CG2 ILE C 14 5.296 -2.615 4.669 1.00 0.00 C ATOM 1436 CD1 ILE C 14 3.042 -1.640 2.945 1.00 0.00 C ATOM 0 H ILE C 14 4.402 1.119 6.557 1.00 0.00 H new ATOM 0 HA ILE C 14 4.204 -1.789 6.988 1.00 0.00 H new ATOM 0 HB ILE C 14 5.115 -0.492 4.403 1.00 0.00 H new ATOM 0 HG12 ILE C 14 2.591 -2.093 4.999 1.00 0.00 H new ATOM 0 HG13 ILE C 14 2.653 -0.378 4.643 1.00 0.00 H new ATOM 0 HG21 ILE C 14 5.255 -2.835 3.602 1.00 0.00 H new ATOM 0 HG22 ILE C 14 6.337 -2.549 4.987 1.00 0.00 H new ATOM 0 HG23 ILE C 14 4.797 -3.410 5.223 1.00 0.00 H new ATOM 0 HD11 ILE C 14 1.994 -1.665 2.645 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.563 -0.867 2.381 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.500 -2.608 2.742 1.00 0.00 H new ATOM 1448 N GLY C 15 6.765 -1.834 7.247 1.00 0.00 N ATOM 1449 CA GLY C 15 8.137 -1.786 7.721 1.00 0.00 C ATOM 1450 C GLY C 15 8.258 -0.834 8.907 1.00 0.00 C ATOM 1451 O GLY C 15 7.373 -0.775 9.760 1.00 0.00 O ATOM 0 H GLY C 15 6.378 -2.776 7.196 1.00 0.00 H new ATOM 0 HA2 GLY C 15 8.462 -2.784 8.013 1.00 0.00 H new ATOM 0 HA3 GLY C 15 8.795 -1.459 6.916 1.00 0.00 H new ATOM 1455 N ASP C 16 9.363 -0.091 8.942 1.00 0.00 N ATOM 1456 CA ASP C 16 9.624 0.918 9.957 1.00 0.00 C ATOM 1457 C ASP C 16 10.002 2.238 9.277 1.00 0.00 C ATOM 1458 O ASP C 16 10.446 3.177 9.936 1.00 0.00 O ATOM 1459 CB ASP C 16 10.745 0.437 10.885 1.00 0.00 C ATOM 1460 CG ASP C 16 10.380 -0.873 11.576 1.00 0.00 C ATOM 1461 OD1 ASP C 16 9.632 -0.809 12.577 1.00 0.00 O ATOM 1462 OD2 ASP C 16 10.856 -1.929 11.100 1.00 0.00 O ATOM 0 H ASP C 16 10.111 -0.177 8.254 1.00 0.00 H new ATOM 0 HA ASP C 16 8.729 1.081 10.558 1.00 0.00 H new ATOM 0 HB2 ASP C 16 11.661 0.303 10.310 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.949 1.200 11.636 1.00 0.00 H new ATOM 1467 N ASP C 17 9.818 2.300 7.953 1.00 0.00 N ATOM 1468 CA ASP C 17 10.203 3.442 7.138 1.00 0.00 C ATOM 1469 C ASP C 17 9.241 3.653 5.966 1.00 0.00 C ATOM 1470 O ASP C 17 9.558 4.419 5.056 1.00 0.00 O ATOM 1471 CB ASP C 17 11.622 3.232 6.601 1.00 0.00 C ATOM 1472 CG ASP C 17 12.654 3.119 7.718 1.00 0.00 C ATOM 1473 OD1 ASP C 17 13.046 4.182 8.251 1.00 0.00 O ATOM 1474 OD2 ASP C 17 13.042 1.972 8.031 1.00 0.00 O ATOM 0 H ASP C 17 9.391 1.544 7.417 1.00 0.00 H new ATOM 0 HA ASP C 17 10.165 4.331 7.768 1.00 0.00 H new ATOM 0 HB2 ASP C 17 11.648 2.328 5.993 1.00 0.00 H new ATOM 0 HB3 ASP C 17 11.887 4.063 5.947 1.00 0.00 H new ATOM 1479 N ILE C 18 8.072 2.997 5.960 1.00 0.00 N ATOM 1480 CA ILE C 18 7.132 3.136 4.851 1.00 0.00 C ATOM 1481 C ILE C 18 5.741 3.500 5.365 1.00 0.00 C ATOM 1482 O ILE C 18 5.337 3.088 6.453 1.00 0.00 O ATOM 1483 CB ILE C 18 7.086 1.851 4.005 1.00 0.00 C ATOM 1484 CG1 ILE C 18 8.472 1.422 3.504 1.00 0.00 C ATOM 1485 CG2 ILE C 18 6.186 2.066 2.785 1.00 0.00 C ATOM 1486 CD1 ILE C 18 9.127 0.444 4.476 1.00 0.00 C ATOM 0 H ILE C 18 7.762 2.373 6.704 1.00 0.00 H new ATOM 0 HA ILE C 18 7.480 3.947 4.211 1.00 0.00 H new ATOM 0 HB ILE C 18 6.696 1.065 4.652 1.00 0.00 H new ATOM 0 HG12 ILE C 18 8.380 0.958 2.522 1.00 0.00 H new ATOM 0 HG13 ILE C 18 9.107 2.300 3.383 1.00 0.00 H new ATOM 0 HG21 ILE C 18 6.157 1.154 2.189 1.00 0.00 H new ATOM 0 HG22 ILE C 18 5.178 2.316 3.116 1.00 0.00 H new ATOM 0 HG23 ILE C 18 6.582 2.882 2.180 1.00 0.00 H new ATOM 0 HD11 ILE C 18 10.108 0.156 4.097 1.00 0.00 H new ATOM 0 HD12 ILE C 18 9.240 0.920 5.450 1.00 0.00 H new ATOM 0 HD13 ILE C 18 8.502 -0.443 4.576 1.00 0.00 H new ATOM 1498 N THR C 19 5.013 4.284 4.564 1.00 0.00 N ATOM 1499 CA THR C 19 3.655 4.704 4.859 1.00 0.00 C ATOM 1500 C THR C 19 2.843 4.659 3.571 1.00 0.00 C ATOM 1501 O THR C 19 3.396 4.774 2.476 1.00 0.00 O ATOM 1502 CB THR C 19 3.674 6.119 5.442 1.00 0.00 C ATOM 1503 OG1 THR C 19 4.515 6.161 6.575 1.00 0.00 O ATOM 1504 CG2 THR C 19 2.282 6.587 5.862 1.00 0.00 C ATOM 0 H THR C 19 5.365 4.647 3.678 1.00 0.00 H new ATOM 0 HA THR C 19 3.199 4.039 5.593 1.00 0.00 H new ATOM 0 HB THR C 19 4.043 6.781 4.658 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.524 7.070 6.942 1.00 0.00 H new ATOM 0 HG21 THR C 19 2.345 7.596 6.270 1.00 0.00 H new ATOM 0 HG22 THR C 19 1.621 6.586 4.995 1.00 0.00 H new ATOM 0 HG23 THR C 19 1.885 5.913 6.621 1.00 0.00 H new ATOM 1512 N ILE C 20 1.525 4.489 3.704 1.00 0.00 N ATOM 1513 CA ILE C 20 0.606 4.394 2.580 1.00 0.00 C ATOM 1514 C ILE C 20 -0.593 5.286 2.874 1.00 0.00 C ATOM 1515 O ILE C 20 -0.990 5.427 4.030 1.00 0.00 O ATOM 1516 CB ILE C 20 0.150 2.934 2.419 1.00 0.00 C ATOM 1517 CG1 ILE C 20 1.328 1.971 2.216 1.00 0.00 C ATOM 1518 CG2 ILE C 20 -0.844 2.800 1.263 1.00 0.00 C ATOM 1519 CD1 ILE C 20 2.032 2.158 0.874 1.00 0.00 C ATOM 0 H ILE C 20 1.065 4.413 4.611 1.00 0.00 H new ATOM 0 HA ILE C 20 1.091 4.714 1.657 1.00 0.00 H new ATOM 0 HB ILE C 20 -0.343 2.655 3.350 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.049 2.114 3.021 1.00 0.00 H new ATOM 0 HG13 ILE C 20 0.967 0.945 2.290 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.153 1.759 1.168 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.718 3.421 1.461 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.370 3.124 0.336 1.00 0.00 H new ATOM 0 HD11 ILE C 20 2.855 1.448 0.793 1.00 0.00 H new ATOM 0 HD12 ILE C 20 1.323 1.986 0.064 1.00 0.00 H new ATOM 0 HD13 ILE C 20 2.422 3.174 0.806 1.00 0.00 H new ATOM 1531 N THR C 21 -1.176 5.884 1.832 1.00 0.00 N ATOM 1532 CA THR C 21 -2.339 6.752 1.986 1.00 0.00 C ATOM 1533 C THR C 21 -3.325 6.495 0.852 1.00 0.00 C ATOM 1534 O THR C 21 -2.919 6.185 -0.265 1.00 0.00 O ATOM 1535 CB THR C 21 -1.890 8.217 1.974 1.00 0.00 C ATOM 1536 OG1 THR C 21 -0.817 8.415 2.873 1.00 0.00 O ATOM 1537 CG2 THR C 21 -3.026 9.154 2.380 1.00 0.00 C ATOM 0 H THR C 21 -0.857 5.780 0.869 1.00 0.00 H new ATOM 0 HA THR C 21 -2.830 6.539 2.935 1.00 0.00 H new ATOM 0 HB THR C 21 -1.579 8.444 0.954 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.542 9.355 2.852 1.00 0.00 H new ATOM 0 HG21 THR C 21 -2.672 10.185 2.361 1.00 0.00 H new ATOM 0 HG22 THR C 21 -3.857 9.042 1.683 1.00 0.00 H new ATOM 0 HG23 THR C 21 -3.361 8.905 3.387 1.00 0.00 H new ATOM 1545 N ILE C 22 -4.621 6.628 1.139 1.00 0.00 N ATOM 1546 CA ILE C 22 -5.679 6.461 0.157 1.00 0.00 C ATOM 1547 C ILE C 22 -6.234 7.843 -0.170 1.00 0.00 C ATOM 1548 O ILE C 22 -7.119 8.342 0.517 1.00 0.00 O ATOM 1549 CB ILE C 22 -6.723 5.455 0.687 1.00 0.00 C ATOM 1550 CG1 ILE C 22 -8.019 5.431 -0.124 1.00 0.00 C ATOM 1551 CG2 ILE C 22 -7.086 5.708 2.147 1.00 0.00 C ATOM 1552 CD1 ILE C 22 -7.760 5.333 -1.616 1.00 0.00 C ATOM 0 H ILE C 22 -4.963 6.857 2.072 1.00 0.00 H new ATOM 0 HA ILE C 22 -5.317 6.032 -0.777 1.00 0.00 H new ATOM 0 HB ILE C 22 -6.230 4.488 0.587 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -8.629 4.585 0.194 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -8.593 6.334 0.085 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -7.823 4.974 2.471 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.192 5.621 2.764 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -7.502 6.710 2.250 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -8.710 5.319 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -7.174 6.193 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -7.210 4.417 -1.830 1.00 0.00 H new ATOM 1564 N LEU C 23 -5.710 8.479 -1.228 1.00 0.00 N ATOM 1565 CA LEU C 23 -6.049 9.866 -1.516 1.00 0.00 C ATOM 1566 C LEU C 23 -7.518 10.025 -1.905 1.00 0.00 C ATOM 1567 O LEU C 23 -8.107 11.072 -1.646 1.00 0.00 O ATOM 1568 CB LEU C 23 -5.188 10.422 -2.651 1.00 0.00 C ATOM 1569 CG LEU C 23 -3.668 10.265 -2.484 1.00 0.00 C ATOM 1570 CD1 LEU C 23 -2.996 11.258 -3.428 1.00 0.00 C ATOM 1571 CD2 LEU C 23 -3.185 10.556 -1.067 1.00 0.00 C ATOM 0 H LEU C 23 -5.058 8.054 -1.887 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.859 10.423 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.484 9.932 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.413 11.482 -2.765 1.00 0.00 H new ATOM 0 HG LEU C 23 -3.413 9.229 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -1.913 11.173 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.290 11.040 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -3.304 12.271 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -2.104 10.427 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -3.441 11.581 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.665 9.868 -0.371 1.00 0.00 H new ATOM 1583 N GLY C 24 -8.115 8.999 -2.522 1.00 0.00 N ATOM 1584 CA GLY C 24 -9.516 9.068 -2.914 1.00 0.00 C ATOM 1585 C GLY C 24 -9.884 8.037 -3.976 1.00 0.00 C ATOM 1586 O GLY C 24 -9.064 7.200 -4.345 1.00 0.00 O ATOM 0 H GLY C 24 -7.650 8.122 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -10.142 8.917 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -9.734 10.067 -3.293 1.00 0.00 H new ATOM 1590 N VAL C 25 -11.126 8.099 -4.471 1.00 0.00 N ATOM 1591 CA VAL C 25 -11.597 7.201 -5.521 1.00 0.00 C ATOM 1592 C VAL C 25 -12.420 7.955 -6.562 1.00 0.00 C ATOM 1593 O VAL C 25 -12.895 9.060 -6.308 1.00 0.00 O ATOM 1594 CB VAL C 25 -12.437 6.054 -4.938 1.00 0.00 C ATOM 1595 CG1 VAL C 25 -11.831 5.491 -3.652 1.00 0.00 C ATOM 1596 CG2 VAL C 25 -13.881 6.480 -4.664 1.00 0.00 C ATOM 0 H VAL C 25 -11.826 8.770 -4.154 1.00 0.00 H new ATOM 0 HA VAL C 25 -10.714 6.781 -6.003 1.00 0.00 H new ATOM 0 HB VAL C 25 -12.436 5.274 -5.699 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -12.459 4.683 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -10.832 5.108 -3.858 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -11.770 6.280 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -14.437 5.638 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -13.888 7.303 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -14.348 6.803 -5.594 1.00 0.00 H new ATOM 1606 N SER C 26 -12.584 7.342 -7.735 1.00 0.00 N ATOM 1607 CA SER C 26 -13.460 7.838 -8.786 1.00 0.00 C ATOM 1608 C SER C 26 -13.904 6.651 -9.630 1.00 0.00 C ATOM 1609 O SER C 26 -13.078 6.030 -10.296 1.00 0.00 O ATOM 1610 CB SER C 26 -12.715 8.861 -9.639 1.00 0.00 C ATOM 1611 OG SER C 26 -13.573 9.351 -10.650 1.00 0.00 O ATOM 0 H SER C 26 -12.104 6.476 -7.981 1.00 0.00 H new ATOM 0 HA SER C 26 -14.333 8.330 -8.358 1.00 0.00 H new ATOM 0 HB2 SER C 26 -12.365 9.683 -9.015 1.00 0.00 H new ATOM 0 HB3 SER C 26 -11.833 8.403 -10.087 1.00 0.00 H new ATOM 0 HG SER C 26 -13.093 10.009 -11.196 1.00 0.00 H new ATOM 1617 N GLY C 27 -15.198 6.326 -9.603 1.00 0.00 N ATOM 1618 CA GLY C 27 -15.709 5.171 -10.324 1.00 0.00 C ATOM 1619 C GLY C 27 -15.166 3.887 -9.704 1.00 0.00 C ATOM 1620 O GLY C 27 -15.622 3.484 -8.636 1.00 0.00 O ATOM 0 H GLY C 27 -15.906 6.849 -9.088 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -16.799 5.166 -10.295 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -15.419 5.229 -11.373 1.00 0.00 H new ATOM 1624 N GLN C 28 -14.194 3.249 -10.373 1.00 0.00 N ATOM 1625 CA GLN C 28 -13.510 2.086 -9.819 1.00 0.00 C ATOM 1626 C GLN C 28 -12.048 2.409 -9.572 1.00 0.00 C ATOM 1627 O GLN C 28 -11.364 1.650 -8.888 1.00 0.00 O ATOM 1628 CB GLN C 28 -13.590 0.872 -10.748 1.00 0.00 C ATOM 1629 CG GLN C 28 -15.020 0.473 -11.110 1.00 0.00 C ATOM 1630 CD GLN C 28 -15.912 0.322 -9.880 1.00 0.00 C ATOM 1631 OE1 GLN C 28 -16.971 0.934 -9.799 1.00 0.00 O ATOM 1632 NE2 GLN C 28 -15.497 -0.492 -8.910 1.00 0.00 N ATOM 0 H GLN C 28 -13.868 3.525 -11.299 1.00 0.00 H new ATOM 0 HA GLN C 28 -14.012 1.839 -8.883 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -13.039 1.088 -11.663 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -13.095 0.026 -10.271 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -15.447 1.224 -11.775 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -15.003 -0.467 -11.661 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -14.611 -0.988 -9.005 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -16.065 -0.619 -8.073 1.00 0.00 H new ATOM 1641 N GLN C 29 -11.558 3.524 -10.119 1.00 0.00 N ATOM 1642 CA GLN C 29 -10.183 3.913 -9.896 1.00 0.00 C ATOM 1643 C GLN C 29 -10.029 4.360 -8.450 1.00 0.00 C ATOM 1644 O GLN C 29 -10.964 4.881 -7.841 1.00 0.00 O ATOM 1645 CB GLN C 29 -9.744 5.032 -10.845 1.00 0.00 C ATOM 1646 CG GLN C 29 -9.536 4.555 -12.278 1.00 0.00 C ATOM 1647 CD GLN C 29 -10.824 4.039 -12.886 1.00 0.00 C ATOM 1648 OE1 GLN C 29 -11.858 4.703 -12.868 1.00 0.00 O ATOM 1649 NE2 GLN C 29 -10.767 2.835 -13.432 1.00 0.00 N ATOM 0 H GLN C 29 -12.093 4.160 -10.711 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.543 3.054 -10.097 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.495 5.822 -10.837 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -8.816 5.470 -10.476 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -9.150 5.376 -12.883 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -8.784 3.766 -12.294 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -9.890 2.314 -13.428 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -11.600 2.428 -13.857 1.00 0.00 H new ATOM 1658 N VAL C 30 -8.832 4.145 -7.912 1.00 0.00 N ATOM 1659 CA VAL C 30 -8.487 4.449 -6.543 1.00 0.00 C ATOM 1660 C VAL C 30 -7.128 5.135 -6.571 1.00 0.00 C ATOM 1661 O VAL C 30 -6.126 4.527 -6.945 1.00 0.00 O ATOM 1662 CB VAL C 30 -8.456 3.143 -5.738 1.00 0.00 C ATOM 1663 CG1 VAL C 30 -8.102 3.406 -4.278 1.00 0.00 C ATOM 1664 CG2 VAL C 30 -9.825 2.461 -5.758 1.00 0.00 C ATOM 0 H VAL C 30 -8.058 3.742 -8.440 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.213 5.108 -6.067 1.00 0.00 H new ATOM 0 HB VAL C 30 -7.702 2.506 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -8.087 2.463 -3.732 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -7.119 3.874 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -8.846 4.069 -3.837 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -9.780 1.537 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -10.569 3.126 -5.320 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -10.103 2.233 -6.787 1.00 0.00 H new ATOM 1674 N ARG C 31 -7.100 6.411 -6.173 1.00 0.00 N ATOM 1675 CA ARG C 31 -5.877 7.191 -6.096 1.00 0.00 C ATOM 1676 C ARG C 31 -5.207 6.876 -4.768 1.00 0.00 C ATOM 1677 O ARG C 31 -5.829 6.997 -3.713 1.00 0.00 O ATOM 1678 CB ARG C 31 -6.213 8.680 -6.196 1.00 0.00 C ATOM 1679 CG ARG C 31 -6.028 9.182 -7.627 1.00 0.00 C ATOM 1680 CD ARG C 31 -4.566 9.565 -7.857 1.00 0.00 C ATOM 1681 NE ARG C 31 -4.354 10.023 -9.235 1.00 0.00 N ATOM 1682 CZ ARG C 31 -3.511 10.989 -9.611 1.00 0.00 C ATOM 1683 NH1 ARG C 31 -2.745 11.616 -8.724 1.00 0.00 N ATOM 1684 NH2 ARG C 31 -3.428 11.327 -10.893 1.00 0.00 N ATOM 0 H ARG C 31 -7.934 6.928 -5.895 1.00 0.00 H new ATOM 0 HA ARG C 31 -5.203 6.942 -6.916 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -7.242 8.848 -5.877 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -5.573 9.248 -5.521 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.326 8.409 -8.335 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -6.672 10.043 -7.806 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.278 10.352 -7.160 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -3.925 8.708 -7.652 1.00 0.00 H new ATOM 0 HE ARG C 31 -4.896 9.565 -9.968 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -2.795 11.362 -7.737 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -2.107 12.351 -9.030 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -4.006 10.850 -11.585 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -2.786 12.064 -11.186 1.00 0.00 H new ATOM 1698 N ILE C 32 -3.938 6.478 -4.832 1.00 0.00 N ATOM 1699 CA ILE C 32 -3.199 6.000 -3.672 1.00 0.00 C ATOM 1700 C ILE C 32 -1.871 6.738 -3.592 1.00 0.00 C ATOM 1701 O ILE C 32 -1.368 7.219 -4.604 1.00 0.00 O ATOM 1702 CB ILE C 32 -2.971 4.479 -3.784 1.00 0.00 C ATOM 1703 CG1 ILE C 32 -4.221 3.789 -4.346 1.00 0.00 C ATOM 1704 CG2 ILE C 32 -2.601 3.906 -2.413 1.00 0.00 C ATOM 1705 CD1 ILE C 32 -4.130 2.262 -4.300 1.00 0.00 C ATOM 0 H ILE C 32 -3.394 6.479 -5.695 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.770 6.192 -2.764 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.146 4.293 -4.472 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.094 4.113 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.373 4.108 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.441 2.831 -2.499 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.688 4.381 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -3.410 4.097 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -5.043 1.831 -4.711 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -3.275 1.931 -4.889 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -4.007 1.936 -3.267 1.00 0.00 H new ATOM 1717 N GLY C 33 -1.300 6.830 -2.395 1.00 0.00 N ATOM 1718 CA GLY C 33 -0.020 7.473 -2.179 1.00 0.00 C ATOM 1719 C GLY C 33 0.888 6.548 -1.380 1.00 0.00 C ATOM 1720 O GLY C 33 0.417 5.709 -0.614 1.00 0.00 O ATOM 0 H GLY C 33 -1.721 6.456 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY C 33 0.442 7.716 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.159 8.413 -1.645 1.00 0.00 H new ATOM 1724 N ILE C 34 2.196 6.713 -1.568 1.00 0.00 N ATOM 1725 CA ILE C 34 3.206 5.864 -0.955 1.00 0.00 C ATOM 1726 C ILE C 34 4.374 6.735 -0.535 1.00 0.00 C ATOM 1727 O ILE C 34 4.721 7.691 -1.227 1.00 0.00 O ATOM 1728 CB ILE C 34 3.677 4.817 -1.975 1.00 0.00 C ATOM 1729 CG1 ILE C 34 2.491 4.032 -2.552 1.00 0.00 C ATOM 1730 CG2 ILE C 34 4.679 3.864 -1.314 1.00 0.00 C ATOM 1731 CD1 ILE C 34 2.926 3.156 -3.728 1.00 0.00 C ATOM 0 H ILE C 34 2.585 7.449 -2.157 1.00 0.00 H new ATOM 0 HA ILE C 34 2.794 5.352 -0.085 1.00 0.00 H new ATOM 0 HB ILE C 34 4.165 5.335 -2.800 1.00 0.00 H new ATOM 0 HG12 ILE C 34 2.051 3.408 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE C 34 1.717 4.726 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE C 34 5.010 3.123 -2.041 1.00 0.00 H new ATOM 0 HG22 ILE C 34 5.538 4.431 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE C 34 4.202 3.360 -0.474 1.00 0.00 H new ATOM 0 HD11 ILE C 34 2.064 2.612 -4.115 1.00 0.00 H new ATOM 0 HD12 ILE C 34 3.342 3.784 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE C 34 3.682 2.446 -3.393 1.00 0.00 H new ATOM 1743 N ASN C 35 4.984 6.408 0.600 1.00 0.00 N ATOM 1744 CA ASN C 35 6.066 7.205 1.140 1.00 0.00 C ATOM 1745 C ASN C 35 7.138 6.287 1.710 1.00 0.00 C ATOM 1746 O ASN C 35 6.952 5.675 2.762 1.00 0.00 O ATOM 1747 CB ASN C 35 5.471 8.141 2.191 1.00 0.00 C ATOM 1748 CG ASN C 35 6.442 9.236 2.599 1.00 0.00 C ATOM 1749 OD1 ASN C 35 7.642 9.010 2.749 1.00 0.00 O ATOM 1750 ND2 ASN C 35 5.921 10.446 2.783 1.00 0.00 N ATOM 0 H ASN C 35 4.742 5.592 1.161 1.00 0.00 H new ATOM 0 HA ASN C 35 6.548 7.808 0.371 1.00 0.00 H new ATOM 0 HB2 ASN C 35 4.560 8.593 1.799 1.00 0.00 H new ATOM 0 HB3 ASN C 35 5.187 7.563 3.071 1.00 0.00 H new ATOM 0 HD21 ASN C 35 6.521 11.223 3.058 1.00 0.00 H new ATOM 0 HD22 ASN C 35 4.921 10.596 2.649 1.00 0.00 H new ATOM 1757 N ALA C 36 8.261 6.195 0.998 1.00 0.00 N ATOM 1758 CA ALA C 36 9.396 5.374 1.390 1.00 0.00 C ATOM 1759 C ALA C 36 10.689 6.024 0.916 1.00 0.00 C ATOM 1760 O ALA C 36 10.677 6.813 -0.032 1.00 0.00 O ATOM 1761 CB ALA C 36 9.265 3.993 0.752 1.00 0.00 C ATOM 0 H ALA C 36 8.405 6.697 0.122 1.00 0.00 H new ATOM 0 HA ALA C 36 9.414 5.280 2.476 1.00 0.00 H new ATOM 0 HB1 ALA C 36 10.114 3.375 1.044 1.00 0.00 H new ATOM 0 HB2 ALA C 36 8.341 3.523 1.089 1.00 0.00 H new ATOM 0 HB3 ALA C 36 9.246 4.094 -0.333 1.00 0.00 H new ATOM 1767 N PRO C 37 11.808 5.696 1.566 1.00 0.00 N ATOM 1768 CA PRO C 37 13.119 6.183 1.181 1.00 0.00 C ATOM 1769 C PRO C 37 13.516 5.658 -0.198 1.00 0.00 C ATOM 1770 O PRO C 37 12.982 4.656 -0.667 1.00 0.00 O ATOM 1771 CB PRO C 37 14.070 5.664 2.259 1.00 0.00 C ATOM 1772 CG PRO C 37 13.348 4.465 2.869 1.00 0.00 C ATOM 1773 CD PRO C 37 11.878 4.829 2.730 1.00 0.00 C ATOM 0 HA PRO C 37 13.142 7.270 1.108 1.00 0.00 H new ATOM 0 HB2 PRO C 37 15.030 5.373 1.833 1.00 0.00 H new ATOM 0 HB3 PRO C 37 14.272 6.428 3.010 1.00 0.00 H new ATOM 0 HG2 PRO C 37 13.585 3.542 2.340 1.00 0.00 H new ATOM 0 HG3 PRO C 37 13.628 4.316 3.912 1.00 0.00 H new ATOM 0 HD2 PRO C 37 11.263 3.939 2.596 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.512 5.337 3.622 1.00 0.00 H new ATOM 1781 N LYS C 38 14.463 6.335 -0.850 1.00 0.00 N ATOM 1782 CA LYS C 38 15.004 5.889 -2.128 1.00 0.00 C ATOM 1783 C LYS C 38 15.913 4.679 -1.935 1.00 0.00 C ATOM 1784 O LYS C 38 16.454 4.137 -2.897 1.00 0.00 O ATOM 1785 CB LYS C 38 15.747 7.049 -2.796 1.00 0.00 C ATOM 1786 CG LYS C 38 14.747 8.156 -3.147 1.00 0.00 C ATOM 1787 CD LYS C 38 13.848 7.742 -4.309 1.00 0.00 C ATOM 1788 CE LYS C 38 14.521 8.067 -5.644 1.00 0.00 C ATOM 1789 NZ LYS C 38 13.646 7.729 -6.782 1.00 0.00 N ATOM 0 H LYS C 38 14.873 7.204 -0.506 1.00 0.00 H new ATOM 0 HA LYS C 38 14.188 5.578 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS C 38 16.516 7.436 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS C 38 16.253 6.701 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS C 38 14.135 8.386 -2.275 1.00 0.00 H new ATOM 0 HG3 LYS C 38 15.286 9.067 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS C 38 13.636 6.674 -4.251 1.00 0.00 H new ATOM 0 HD3 LYS C 38 12.892 8.261 -4.240 1.00 0.00 H new ATOM 0 HE2 LYS C 38 14.772 9.127 -5.678 1.00 0.00 H new ATOM 0 HE3 LYS C 38 15.457 7.515 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 14.130 7.961 -7.673 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 13.427 6.713 -6.761 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 12.763 8.275 -6.715 1.00 0.00 H new ATOM 1803 N ASP C 39 16.068 4.263 -0.676 1.00 0.00 N ATOM 1804 CA ASP C 39 16.783 3.054 -0.294 1.00 0.00 C ATOM 1805 C ASP C 39 15.972 1.808 -0.660 1.00 0.00 C ATOM 1806 O ASP C 39 16.463 0.689 -0.518 1.00 0.00 O ATOM 1807 CB ASP C 39 17.020 3.076 1.215 1.00 0.00 C ATOM 1808 CG ASP C 39 18.068 4.116 1.597 1.00 0.00 C ATOM 1809 OD1 ASP C 39 19.273 3.806 1.458 1.00 0.00 O ATOM 1810 OD2 ASP C 39 17.658 5.216 2.027 1.00 0.00 O ATOM 0 H ASP C 39 15.689 4.773 0.122 1.00 0.00 H new ATOM 0 HA ASP C 39 17.733 3.020 -0.828 1.00 0.00 H new ATOM 0 HB2 ASP C 39 16.084 3.294 1.729 1.00 0.00 H new ATOM 0 HB3 ASP C 39 17.344 2.090 1.549 1.00 0.00 H new ATOM 1815 N VAL C 40 14.735 1.996 -1.134 1.00 0.00 N ATOM 1816 CA VAL C 40 13.852 0.910 -1.542 1.00 0.00 C ATOM 1817 C VAL C 40 13.132 1.299 -2.826 1.00 0.00 C ATOM 1818 O VAL C 40 13.172 2.461 -3.236 1.00 0.00 O ATOM 1819 CB VAL C 40 12.838 0.588 -0.433 1.00 0.00 C ATOM 1820 CG1 VAL C 40 13.543 0.267 0.886 1.00 0.00 C ATOM 1821 CG2 VAL C 40 11.901 1.761 -0.184 1.00 0.00 C ATOM 0 H VAL C 40 14.319 2.921 -1.244 1.00 0.00 H new ATOM 0 HA VAL C 40 14.448 0.015 -1.721 1.00 0.00 H new ATOM 0 HB VAL C 40 12.271 -0.278 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL C 40 12.799 0.043 1.651 1.00 0.00 H new ATOM 0 HG12 VAL C 40 14.194 -0.596 0.750 1.00 0.00 H new ATOM 0 HG13 VAL C 40 14.138 1.125 1.198 1.00 0.00 H new ATOM 0 HG21 VAL C 40 11.196 1.502 0.606 1.00 0.00 H new ATOM 0 HG22 VAL C 40 12.481 2.632 0.119 1.00 0.00 H new ATOM 0 HG23 VAL C 40 11.354 1.990 -1.098 1.00 0.00 H new ATOM 1831 N ALA C 41 12.467 0.340 -3.469 1.00 0.00 N ATOM 1832 CA ALA C 41 11.814 0.586 -4.744 1.00 0.00 C ATOM 1833 C ALA C 41 10.296 0.553 -4.606 1.00 0.00 C ATOM 1834 O ALA C 41 9.764 -0.043 -3.675 1.00 0.00 O ATOM 1835 CB ALA C 41 12.288 -0.459 -5.751 1.00 0.00 C ATOM 0 H ALA C 41 12.369 -0.615 -3.123 1.00 0.00 H new ATOM 0 HA ALA C 41 12.083 1.582 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA C 41 11.804 -0.284 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA C 41 13.369 -0.385 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA C 41 12.030 -1.455 -5.391 1.00 0.00 H new ATOM 1841 N VAL C 42 9.599 1.201 -5.541 1.00 0.00 N ATOM 1842 CA VAL C 42 8.143 1.170 -5.602 1.00 0.00 C ATOM 1843 C VAL C 42 7.676 1.464 -7.025 1.00 0.00 C ATOM 1844 O VAL C 42 8.113 2.437 -7.635 1.00 0.00 O ATOM 1845 CB VAL C 42 7.550 2.164 -4.597 1.00 0.00 C ATOM 1846 CG1 VAL C 42 8.340 3.471 -4.541 1.00 0.00 C ATOM 1847 CG2 VAL C 42 6.093 2.488 -4.929 1.00 0.00 C ATOM 0 H VAL C 42 10.031 1.761 -6.276 1.00 0.00 H new ATOM 0 HA VAL C 42 7.790 0.175 -5.331 1.00 0.00 H new ATOM 0 HB VAL C 42 7.607 1.677 -3.624 1.00 0.00 H new ATOM 0 HG11 VAL C 42 7.881 4.143 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL C 42 9.368 3.263 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL C 42 8.335 3.941 -5.524 1.00 0.00 H new ATOM 0 HG21 VAL C 42 5.702 3.195 -4.198 1.00 0.00 H new ATOM 0 HG22 VAL C 42 6.036 2.927 -5.925 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.501 1.573 -4.901 1.00 0.00 H new ATOM 1857 N HIS C 43 6.783 0.616 -7.547 1.00 0.00 N ATOM 1858 CA HIS C 43 6.176 0.791 -8.863 1.00 0.00 C ATOM 1859 C HIS C 43 4.835 0.065 -8.897 1.00 0.00 C ATOM 1860 O HIS C 43 4.521 -0.689 -7.980 1.00 0.00 O ATOM 1861 CB HIS C 43 7.071 0.225 -9.972 1.00 0.00 C ATOM 1862 CG HIS C 43 8.554 0.400 -9.771 1.00 0.00 C ATOM 1863 ND1 HIS C 43 9.338 1.387 -10.377 1.00 0.00 N ATOM 1864 CD2 HIS C 43 9.347 -0.380 -8.978 1.00 0.00 C ATOM 1865 CE1 HIS C 43 10.585 1.172 -9.926 1.00 0.00 C ATOM 1866 NE2 HIS C 43 10.620 0.126 -9.088 1.00 0.00 N ATOM 0 H HIS C 43 6.460 -0.219 -7.059 1.00 0.00 H new ATOM 0 HA HIS C 43 6.043 1.859 -9.036 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.861 -0.840 -10.075 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.793 0.698 -10.914 1.00 0.00 H new ATOM 0 HD1 HIS C 43 9.029 2.114 -11.023 1.00 0.00 H new ATOM 0 HD2 HIS C 43 9.036 -1.226 -8.383 1.00 0.00 H new ATOM 0 HE1 HIS C 43 11.445 1.763 -10.202 1.00 0.00 H new ATOM 1874 N ARG C 44 4.036 0.278 -9.947 1.00 0.00 N ATOM 1875 CA ARG C 44 2.788 -0.452 -10.099 1.00 0.00 C ATOM 1876 C ARG C 44 3.117 -1.802 -10.717 1.00 0.00 C ATOM 1877 O ARG C 44 4.209 -1.991 -11.255 1.00 0.00 O ATOM 1878 CB ARG C 44 1.786 0.367 -10.920 1.00 0.00 C ATOM 1879 CG ARG C 44 2.347 0.782 -12.277 1.00 0.00 C ATOM 1880 CD ARG C 44 1.424 1.796 -12.951 1.00 0.00 C ATOM 1881 NE ARG C 44 1.977 2.209 -14.245 1.00 0.00 N ATOM 1882 CZ ARG C 44 1.557 1.744 -15.426 1.00 0.00 C ATOM 1883 NH1 ARG C 44 0.529 0.901 -15.501 1.00 0.00 N ATOM 1884 NH2 ARG C 44 2.173 2.127 -16.541 1.00 0.00 N ATOM 0 H ARG C 44 4.234 0.944 -10.694 1.00 0.00 H new ATOM 0 HA ARG C 44 2.305 -0.623 -9.137 1.00 0.00 H new ATOM 0 HB2 ARG C 44 0.878 -0.218 -11.069 1.00 0.00 H new ATOM 0 HB3 ARG C 44 1.503 1.258 -10.359 1.00 0.00 H new ATOM 0 HG2 ARG C 44 3.340 1.214 -12.150 1.00 0.00 H new ATOM 0 HG3 ARG C 44 2.460 -0.095 -12.914 1.00 0.00 H new ATOM 0 HD2 ARG C 44 0.436 1.359 -13.093 1.00 0.00 H new ATOM 0 HD3 ARG C 44 1.298 2.667 -12.307 1.00 0.00 H new ATOM 0 HE ARG C 44 2.731 2.896 -14.244 1.00 0.00 H new ATOM 0 HH11 ARG C 44 0.051 0.602 -14.651 1.00 0.00 H new ATOM 0 HH12 ARG C 44 0.219 0.554 -16.409 1.00 0.00 H new ATOM 0 HH21 ARG C 44 2.961 2.772 -16.492 1.00 0.00 H new ATOM 0 HH22 ARG C 44 1.857 1.775 -17.445 1.00 0.00 H new ATOM 1898 N GLU C 45 2.179 -2.745 -10.645 1.00 0.00 N ATOM 1899 CA GLU C 45 2.434 -4.111 -11.078 1.00 0.00 C ATOM 1900 C GLU C 45 2.931 -4.165 -12.527 1.00 0.00 C ATOM 1901 O GLU C 45 3.641 -5.094 -12.898 1.00 0.00 O ATOM 1902 CB GLU C 45 1.157 -4.927 -10.854 1.00 0.00 C ATOM 1903 CG GLU C 45 1.380 -6.443 -10.835 1.00 0.00 C ATOM 1904 CD GLU C 45 1.676 -7.032 -12.207 1.00 0.00 C ATOM 1905 OE1 GLU C 45 0.961 -6.663 -13.166 1.00 0.00 O ATOM 1906 OE2 GLU C 45 2.620 -7.851 -12.280 1.00 0.00 O ATOM 0 H GLU C 45 1.236 -2.585 -10.290 1.00 0.00 H new ATOM 0 HA GLU C 45 3.240 -4.547 -10.488 1.00 0.00 H new ATOM 0 HB2 GLU C 45 0.706 -4.625 -9.909 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.441 -4.685 -11.640 1.00 0.00 H new ATOM 0 HG2 GLU C 45 2.208 -6.672 -10.164 1.00 0.00 H new ATOM 0 HG3 GLU C 45 0.494 -6.927 -10.424 1.00 0.00 H new ATOM 1913 N GLU C 46 2.565 -3.178 -13.350 1.00 0.00 N ATOM 1914 CA GLU C 46 2.967 -3.144 -14.749 1.00 0.00 C ATOM 1915 C GLU C 46 4.466 -2.895 -14.904 1.00 0.00 C ATOM 1916 O GLU C 46 5.108 -3.485 -15.769 1.00 0.00 O ATOM 1917 CB GLU C 46 2.208 -2.015 -15.448 1.00 0.00 C ATOM 1918 CG GLU C 46 2.460 -2.045 -16.960 1.00 0.00 C ATOM 1919 CD GLU C 46 1.658 -0.971 -17.690 1.00 0.00 C ATOM 1920 OE1 GLU C 46 0.412 -0.980 -17.553 1.00 0.00 O ATOM 1921 OE2 GLU C 46 2.289 -0.138 -18.379 1.00 0.00 O ATOM 0 H GLU C 46 1.986 -2.388 -13.063 1.00 0.00 H new ATOM 0 HA GLU C 46 2.736 -4.112 -15.193 1.00 0.00 H new ATOM 0 HB2 GLU C 46 1.140 -2.112 -15.251 1.00 0.00 H new ATOM 0 HB3 GLU C 46 2.522 -1.054 -15.041 1.00 0.00 H new ATOM 0 HG2 GLU C 46 3.523 -1.900 -17.154 1.00 0.00 H new ATOM 0 HG3 GLU C 46 2.195 -3.027 -17.353 1.00 0.00 H new ATOM 1928 N ILE C 47 5.028 -2.020 -14.062 1.00 0.00 N ATOM 1929 CA ILE C 47 6.407 -1.585 -14.213 1.00 0.00 C ATOM 1930 C ILE C 47 7.348 -2.491 -13.421 1.00 0.00 C ATOM 1931 O ILE C 47 8.508 -2.654 -13.794 1.00 0.00 O ATOM 1932 CB ILE C 47 6.532 -0.143 -13.710 1.00 0.00 C ATOM 1933 CG1 ILE C 47 5.438 0.778 -14.263 1.00 0.00 C ATOM 1934 CG2 ILE C 47 7.912 0.419 -14.054 1.00 0.00 C ATOM 1935 CD1 ILE C 47 5.330 0.738 -15.783 1.00 0.00 C ATOM 0 H ILE C 47 4.541 -1.602 -13.269 1.00 0.00 H new ATOM 0 HA ILE C 47 6.685 -1.639 -15.266 1.00 0.00 H new ATOM 0 HB ILE C 47 6.405 -0.175 -12.628 1.00 0.00 H new ATOM 0 HG12 ILE C 47 4.479 0.493 -13.830 1.00 0.00 H new ATOM 0 HG13 ILE C 47 5.640 1.801 -13.946 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.988 1.444 -13.691 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.682 -0.191 -13.581 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.051 0.405 -15.135 1.00 0.00 H new ATOM 0 HD11 ILE C 47 4.538 1.412 -16.109 1.00 0.00 H new ATOM 0 HD12 ILE C 47 6.277 1.051 -16.223 1.00 0.00 H new ATOM 0 HD13 ILE C 47 5.098 -0.277 -16.105 1.00 0.00 H new ATOM 1947 N TYR C 48 6.847 -3.073 -12.331 1.00 0.00 N ATOM 1948 CA TYR C 48 7.632 -3.935 -11.463 1.00 0.00 C ATOM 1949 C TYR C 48 8.266 -5.085 -12.237 1.00 0.00 C ATOM 1950 O TYR C 48 9.326 -5.583 -11.860 1.00 0.00 O ATOM 1951 CB TYR C 48 6.698 -4.489 -10.390 1.00 0.00 C ATOM 1952 CG TYR C 48 7.365 -5.415 -9.404 1.00 0.00 C ATOM 1953 CD1 TYR C 48 8.044 -4.892 -8.293 1.00 0.00 C ATOM 1954 CD2 TYR C 48 7.299 -6.804 -9.597 1.00 0.00 C ATOM 1955 CE1 TYR C 48 8.626 -5.755 -7.354 1.00 0.00 C ATOM 1956 CE2 TYR C 48 7.858 -7.671 -8.653 1.00 0.00 C ATOM 1957 CZ TYR C 48 8.522 -7.153 -7.522 1.00 0.00 C ATOM 1958 OH TYR C 48 9.053 -8.001 -6.598 1.00 0.00 O ATOM 0 H TYR C 48 5.880 -2.956 -12.029 1.00 0.00 H new ATOM 0 HA TYR C 48 8.443 -3.357 -11.020 1.00 0.00 H new ATOM 0 HB2 TYR C 48 6.255 -3.655 -9.845 1.00 0.00 H new ATOM 0 HB3 TYR C 48 5.881 -5.022 -10.876 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.118 -3.823 -8.161 1.00 0.00 H new ATOM 0 HD2 TYR C 48 6.816 -7.204 -10.476 1.00 0.00 H new ATOM 0 HE1 TYR C 48 9.154 -5.351 -6.503 1.00 0.00 H new ATOM 0 HE2 TYR C 48 7.781 -8.739 -8.790 1.00 0.00 H new ATOM 0 HH TYR C 48 8.889 -8.928 -6.872 1.00 0.00 H new