USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 344 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -21:sc= 0.913 USER MOD Single : A 9 ASN : amide:sc= 0.586 K(o=0.59,f=-4.8!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 71:sc= 0.683 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.838) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0554 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 85:sc= -0.273 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -4.328 -5.096 0.499 1.00 10.00 N ATOM 14 CA ILE A 2 -3.776 -5.346 -0.833 1.00 10.00 C ATOM 15 C ILE A 2 -4.152 -6.745 -1.345 1.00 10.00 C ATOM 16 O ILE A 2 -4.383 -7.684 -0.578 1.00 10.00 O ATOM 17 CB ILE A 2 -2.239 -5.145 -0.861 1.00 10.00 C ATOM 18 CG1 ILE A 2 -1.516 -5.910 0.273 1.00 10.00 C ATOM 19 CG2 ILE A 2 -1.909 -3.642 -0.841 1.00 10.00 C ATOM 20 CD1 ILE A 2 -0.004 -6.043 0.058 1.00 10.00 C ATOM 0 HA ILE A 2 -4.220 -4.612 -1.505 1.00 10.00 H new ATOM 0 HB ILE A 2 -1.863 -5.574 -1.790 1.00 10.00 H new ATOM 0 HG12 ILE A 2 -1.696 -5.397 1.218 1.00 10.00 H new ATOM 0 HG13 ILE A 2 -1.951 -6.906 0.363 1.00 10.00 H new ATOM 0 HG21 ILE A 2 -0.828 -3.507 -0.861 1.00 10.00 H new ATOM 0 HG22 ILE A 2 -2.351 -3.161 -1.713 1.00 10.00 H new ATOM 0 HG23 ILE A 2 -2.314 -3.193 0.065 1.00 10.00 H new ATOM 0 HD11 ILE A 2 0.435 -6.590 0.892 1.00 10.00 H new ATOM 0 HD12 ILE A 2 0.185 -6.583 -0.870 1.00 10.00 H new ATOM 0 HD13 ILE A 2 0.444 -5.051 -0.001 1.00 10.00 H new ATOM 32 N LYS A 3 -4.128 -6.870 -2.668 1.00 10.00 N ATOM 33 CA LYS A 3 -4.120 -8.098 -3.443 1.00 10.00 C ATOM 34 C LYS A 3 -2.744 -8.176 -4.108 1.00 10.00 C ATOM 35 O LYS A 3 -2.041 -7.166 -4.237 1.00 10.00 O ATOM 36 CB LYS A 3 -5.233 -8.030 -4.509 1.00 10.00 C ATOM 37 CG LYS A 3 -6.651 -8.107 -3.916 1.00 10.00 C ATOM 38 CD LYS A 3 -7.703 -7.742 -4.975 1.00 10.00 C ATOM 39 CE LYS A 3 -9.140 -7.958 -4.476 1.00 10.00 C ATOM 40 NZ LYS A 3 -9.559 -9.380 -4.555 1.00 10.00 N ATOM 0 H LYS A 3 -4.112 -6.047 -3.271 1.00 10.00 H new ATOM 0 HA LYS A 3 -4.300 -8.976 -2.823 1.00 10.00 H new ATOM 0 HB2 LYS A 3 -5.132 -7.101 -5.071 1.00 10.00 H new ATOM 0 HB3 LYS A 3 -5.098 -8.847 -5.217 1.00 10.00 H new ATOM 0 HG2 LYS A 3 -6.839 -9.113 -3.541 1.00 10.00 H new ATOM 0 HG3 LYS A 3 -6.733 -7.429 -3.066 1.00 10.00 H new ATOM 0 HD2 LYS A 3 -7.575 -6.699 -5.265 1.00 10.00 H new ATOM 0 HD3 LYS A 3 -7.538 -8.344 -5.869 1.00 10.00 H new ATOM 0 HE2 LYS A 3 -9.219 -7.616 -3.444 1.00 10.00 H new ATOM 0 HE3 LYS A 3 -9.823 -7.348 -5.067 1.00 10.00 H new ATOM 0 HZ1 LYS A 3 -10.535 -9.474 -4.208 1.00 10.00 H new ATOM 0 HZ2 LYS A 3 -9.511 -9.702 -5.543 1.00 10.00 H new ATOM 0 HZ3 LYS A 3 -8.926 -9.962 -3.970 1.00 10.00 H new ATOM 54 N LEU A 4 -2.375 -9.366 -4.570 1.00 10.00 N ATOM 55 CA LEU A 4 -1.179 -9.607 -5.369 1.00 10.00 C ATOM 56 C LEU A 4 -1.681 -10.262 -6.647 1.00 10.00 C ATOM 57 O LEU A 4 -2.553 -11.134 -6.583 1.00 10.00 O ATOM 58 CB LEU A 4 -0.193 -10.530 -4.629 1.00 10.00 C ATOM 59 CG LEU A 4 0.361 -9.975 -3.301 1.00 10.00 C ATOM 60 CD1 LEU A 4 1.299 -11.005 -2.662 1.00 10.00 C ATOM 61 CD2 LEU A 4 1.120 -8.658 -3.488 1.00 10.00 C ATOM 0 H LEU A 4 -2.915 -10.213 -4.394 1.00 10.00 H new ATOM 0 HA LEU A 4 -0.635 -8.684 -5.570 1.00 10.00 H new ATOM 0 HB2 LEU A 4 -0.691 -11.479 -4.428 1.00 10.00 H new ATOM 0 HB3 LEU A 4 0.645 -10.744 -5.292 1.00 10.00 H new ATOM 0 HG LEU A 4 -0.494 -9.779 -2.654 1.00 10.00 H new ATOM 0 HD11 LEU A 4 1.689 -10.610 -1.724 1.00 10.00 H new ATOM 0 HD12 LEU A 4 0.750 -11.926 -2.467 1.00 10.00 H new ATOM 0 HD13 LEU A 4 2.127 -11.213 -3.340 1.00 10.00 H new ATOM 0 HD21 LEU A 4 1.489 -8.311 -2.523 1.00 10.00 H new ATOM 0 HD22 LEU A 4 1.961 -8.816 -4.163 1.00 10.00 H new ATOM 0 HD23 LEU A 4 0.451 -7.909 -3.911 1.00 10.00 H new ATOM 73 N VAL A 5 -1.181 -9.823 -7.801 1.00 10.00 N ATOM 74 CA VAL A 5 -1.795 -10.130 -9.089 1.00 10.00 C ATOM 75 C VAL A 5 -0.691 -10.428 -10.103 1.00 10.00 C ATOM 76 O VAL A 5 0.397 -9.850 -10.024 1.00 10.00 O ATOM 77 CB VAL A 5 -2.687 -8.946 -9.545 1.00 10.00 C ATOM 78 CG1 VAL A 5 -3.560 -9.349 -10.744 1.00 10.00 C ATOM 79 CG2 VAL A 5 -3.632 -8.414 -8.450 1.00 10.00 C ATOM 0 H VAL A 5 -0.342 -9.247 -7.868 1.00 10.00 H new ATOM 0 HA VAL A 5 -2.435 -11.008 -9.004 1.00 10.00 H new ATOM 0 HB VAL A 5 -1.983 -8.156 -9.806 1.00 10.00 H new ATOM 0 HG11 VAL A 5 -4.177 -8.502 -11.046 1.00 10.00 H new ATOM 0 HG12 VAL A 5 -2.921 -9.647 -11.575 1.00 10.00 H new ATOM 0 HG13 VAL A 5 -4.202 -10.184 -10.462 1.00 10.00 H new ATOM 0 HG21 VAL A 5 -4.221 -7.588 -8.848 1.00 10.00 H new ATOM 0 HG22 VAL A 5 -4.299 -9.213 -8.126 1.00 10.00 H new ATOM 0 HG23 VAL A 5 -3.045 -8.065 -7.601 1.00 10.00 H new ATOM 89 N GLN A 6 -0.989 -11.303 -11.068 1.00 10.00 N ATOM 90 CA GLN A 6 -0.174 -11.578 -12.242 1.00 10.00 C ATOM 91 C GLN A 6 -1.153 -11.720 -13.409 1.00 10.00 C ATOM 92 O GLN A 6 -2.124 -12.471 -13.285 1.00 10.00 O ATOM 93 CB GLN A 6 0.631 -12.881 -12.065 1.00 10.00 C ATOM 94 CG GLN A 6 1.467 -12.936 -10.777 1.00 10.00 C ATOM 95 CD GLN A 6 2.421 -14.134 -10.745 1.00 10.00 C ATOM 96 OE1 GLN A 6 2.041 -15.268 -11.026 1.00 10.00 O ATOM 97 NE2 GLN A 6 3.680 -13.917 -10.396 1.00 10.00 N ATOM 0 H GLN A 6 -1.843 -11.860 -11.046 1.00 10.00 H new ATOM 0 HA GLN A 6 0.549 -10.780 -12.411 1.00 10.00 H new ATOM 0 HB2 GLN A 6 -0.059 -13.725 -12.073 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.295 -13.004 -12.921 1.00 10.00 H new ATOM 0 HG2 GLN A 6 2.043 -12.015 -10.682 1.00 10.00 H new ATOM 0 HG3 GLN A 6 0.799 -12.985 -9.917 1.00 10.00 H new ATOM 0 HE21 GLN A 6 3.989 -12.973 -10.164 1.00 10.00 H new ATOM 0 HE22 GLN A 6 4.340 -14.694 -10.359 1.00 10.00 H new ATOM 106 N SER A 7 -0.966 -10.996 -14.515 1.00 10.00 N ATOM 107 CA SER A 7 -1.780 -11.132 -15.729 1.00 10.00 C ATOM 108 C SER A 7 -1.016 -10.521 -16.912 1.00 10.00 C ATOM 109 O SER A 7 -0.246 -9.581 -16.709 1.00 10.00 O ATOM 110 CB SER A 7 -3.127 -10.398 -15.587 1.00 10.00 C ATOM 111 OG SER A 7 -3.828 -10.746 -14.407 1.00 10.00 O ATOM 0 H SER A 7 -0.235 -10.289 -14.595 1.00 10.00 H new ATOM 0 HA SER A 7 -1.975 -12.192 -15.892 1.00 10.00 H new ATOM 0 HB2 SER A 7 -2.950 -9.322 -15.593 1.00 10.00 H new ATOM 0 HB3 SER A 7 -3.750 -10.624 -16.452 1.00 10.00 H new ATOM 0 HG SER A 7 -3.504 -11.610 -14.077 1.00 10.00 H new ATOM 117 N PRO A 8 -1.223 -10.984 -18.158 1.00 10.00 N ATOM 118 CA PRO A 8 -0.488 -10.463 -19.309 1.00 10.00 C ATOM 119 C PRO A 8 -0.882 -9.023 -19.674 1.00 10.00 C ATOM 120 O PRO A 8 -0.060 -8.293 -20.226 1.00 10.00 O ATOM 121 CB PRO A 8 -0.776 -11.445 -20.451 1.00 10.00 C ATOM 122 CG PRO A 8 -2.126 -12.058 -20.078 1.00 10.00 C ATOM 123 CD PRO A 8 -2.080 -12.095 -18.551 1.00 10.00 C ATOM 0 HA PRO A 8 0.578 -10.396 -19.090 1.00 10.00 H new ATOM 0 HB2 PRO A 8 -0.821 -10.936 -21.414 1.00 10.00 H new ATOM 0 HB3 PRO A 8 0.000 -12.206 -20.529 1.00 10.00 H new ATOM 0 HG2 PRO A 8 -2.957 -11.454 -20.442 1.00 10.00 H new ATOM 0 HG3 PRO A 8 -2.247 -13.055 -20.502 1.00 10.00 H new ATOM 0 HD2 PRO A 8 -3.078 -11.989 -18.126 1.00 10.00 H new ATOM 0 HD3 PRO A 8 -1.680 -13.044 -18.194 1.00 10.00 H new ATOM 131 N ASN A 9 -2.119 -8.604 -19.373 1.00 10.00 N ATOM 132 CA ASN A 9 -2.636 -7.288 -19.768 1.00 10.00 C ATOM 133 C ASN A 9 -2.132 -6.142 -18.881 1.00 10.00 C ATOM 134 O ASN A 9 -2.082 -5.008 -19.357 1.00 10.00 O ATOM 135 CB ASN A 9 -4.175 -7.287 -19.811 1.00 10.00 C ATOM 136 CG ASN A 9 -4.819 -7.585 -18.461 1.00 10.00 C ATOM 137 OD1 ASN A 9 -4.794 -6.769 -17.547 1.00 10.00 O ATOM 138 ND2 ASN A 9 -5.365 -8.777 -18.301 1.00 10.00 N ATOM 0 H ASN A 9 -2.788 -9.168 -18.849 1.00 10.00 H new ATOM 0 HA ASN A 9 -2.246 -7.106 -20.769 1.00 10.00 H new ATOM 0 HB2 ASN A 9 -4.521 -6.315 -20.163 1.00 10.00 H new ATOM 0 HB3 ASN A 9 -4.511 -8.027 -20.537 1.00 10.00 H new ATOM 0 HD21 ASN A 9 -5.776 -9.033 -17.404 1.00 10.00 H new ATOM 0 HD22 ASN A 9 -5.375 -9.441 -19.075 1.00 10.00 H new ATOM 145 N GLY A 10 -1.749 -6.411 -17.625 1.00 10.00 N ATOM 146 CA GLY A 10 -1.254 -5.397 -16.693 1.00 10.00 C ATOM 147 C GLY A 10 -2.163 -4.177 -16.531 1.00 10.00 C ATOM 148 O GLY A 10 -1.638 -3.073 -16.368 1.00 10.00 O ATOM 0 H GLY A 10 -1.776 -7.350 -17.227 1.00 10.00 H new ATOM 0 HA2 GLY A 10 -1.113 -5.860 -15.716 1.00 10.00 H new ATOM 0 HA3 GLY A 10 -0.274 -5.060 -17.031 1.00 10.00 H new ATOM 152 N ASN A 11 -3.489 -4.337 -16.642 1.00 10.00 N ATOM 153 CA ASN A 11 -4.438 -3.225 -16.692 1.00 10.00 C ATOM 154 C ASN A 11 -4.268 -2.289 -15.490 1.00 10.00 C ATOM 155 O ASN A 11 -4.500 -2.689 -14.348 1.00 10.00 O ATOM 156 CB ASN A 11 -5.883 -3.741 -16.766 1.00 10.00 C ATOM 157 CG ASN A 11 -6.876 -2.585 -16.683 1.00 10.00 C ATOM 158 OD1 ASN A 11 -7.546 -2.393 -15.675 1.00 10.00 O ATOM 159 ND2 ASN A 11 -6.985 -1.783 -17.731 1.00 10.00 N ATOM 0 H ASN A 11 -3.934 -5.253 -16.700 1.00 10.00 H new ATOM 0 HA ASN A 11 -4.225 -2.655 -17.596 1.00 10.00 H new ATOM 0 HB2 ASN A 11 -6.031 -4.288 -17.697 1.00 10.00 H new ATOM 0 HB3 ASN A 11 -6.066 -4.442 -15.952 1.00 10.00 H new ATOM 0 HD21 ASN A 11 -7.632 -0.995 -17.705 1.00 10.00 H new ATOM 0 HD22 ASN A 11 -6.422 -1.953 -18.564 1.00 10.00 H new ATOM 166 N PHE A 12 -3.867 -1.043 -15.755 1.00 10.00 N ATOM 167 CA PHE A 12 -3.746 -0.011 -14.737 1.00 10.00 C ATOM 168 C PHE A 12 -5.148 0.523 -14.425 1.00 10.00 C ATOM 169 O PHE A 12 -5.794 1.104 -15.301 1.00 10.00 O ATOM 170 CB PHE A 12 -2.795 1.090 -15.230 1.00 10.00 C ATOM 171 CG PHE A 12 -2.689 2.293 -14.311 1.00 10.00 C ATOM 172 CD1 PHE A 12 -1.905 2.230 -13.142 1.00 10.00 C ATOM 173 CD2 PHE A 12 -3.363 3.488 -14.632 1.00 10.00 C ATOM 174 CE1 PHE A 12 -1.799 3.352 -12.301 1.00 10.00 C ATOM 175 CE2 PHE A 12 -3.246 4.612 -13.796 1.00 10.00 C ATOM 176 CZ PHE A 12 -2.468 4.544 -12.627 1.00 10.00 C ATOM 0 H PHE A 12 -3.617 -0.725 -16.691 1.00 10.00 H new ATOM 0 HA PHE A 12 -3.319 -0.411 -13.817 1.00 10.00 H new ATOM 0 HB2 PHE A 12 -1.801 0.661 -15.361 1.00 10.00 H new ATOM 0 HB3 PHE A 12 -3.129 1.427 -16.211 1.00 10.00 H new ATOM 0 HD1 PHE A 12 -1.384 1.318 -12.891 1.00 10.00 H new ATOM 0 HD2 PHE A 12 -3.971 3.541 -15.523 1.00 10.00 H new ATOM 0 HE1 PHE A 12 -1.202 3.297 -11.403 1.00 10.00 H new ATOM 0 HE2 PHE A 12 -3.755 5.530 -14.052 1.00 10.00 H new ATOM 0 HZ PHE A 12 -2.385 5.406 -11.981 1.00 10.00 H new ATOM 186 N ALA A 13 -5.624 0.314 -13.193 1.00 10.00 N ATOM 187 CA ALA A 13 -6.981 0.680 -12.779 1.00 10.00 C ATOM 188 C ALA A 13 -7.059 2.032 -12.050 1.00 10.00 C ATOM 189 O ALA A 13 -8.163 2.541 -11.862 1.00 10.00 O ATOM 190 CB ALA A 13 -7.545 -0.432 -11.887 1.00 10.00 C ATOM 0 H ALA A 13 -5.074 -0.117 -12.450 1.00 10.00 H new ATOM 0 HA ALA A 13 -7.576 0.793 -13.685 1.00 10.00 H new ATOM 0 HB1 ALA A 13 -8.555 -0.169 -11.573 1.00 10.00 H new ATOM 0 HB2 ALA A 13 -7.570 -1.368 -12.445 1.00 10.00 H new ATOM 0 HB3 ALA A 13 -6.911 -0.550 -11.008 1.00 10.00 H new ATOM 196 N ALA A 14 -5.916 2.613 -11.657 1.00 10.00 N ATOM 197 CA ALA A 14 -5.745 3.768 -10.768 1.00 10.00 C ATOM 198 C ALA A 14 -6.425 3.626 -9.395 1.00 10.00 C ATOM 199 O ALA A 14 -5.723 3.535 -8.387 1.00 10.00 O ATOM 200 CB ALA A 14 -6.146 5.072 -11.475 1.00 10.00 C ATOM 0 H ALA A 14 -5.016 2.258 -11.979 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.679 3.808 -10.542 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -6.010 5.912 -10.794 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -5.521 5.215 -12.357 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -7.192 5.016 -11.777 1.00 10.00 H new ATOM 206 N SER A 15 -7.756 3.602 -9.329 1.00 10.00 N ATOM 207 CA SER A 15 -8.529 3.546 -8.092 1.00 10.00 C ATOM 208 C SER A 15 -9.987 3.172 -8.385 1.00 10.00 C ATOM 209 O SER A 15 -10.443 3.265 -9.529 1.00 10.00 O ATOM 210 CB SER A 15 -8.431 4.891 -7.346 1.00 10.00 C ATOM 211 OG SER A 15 -8.616 6.006 -8.208 1.00 10.00 O ATOM 0 H SER A 15 -8.343 3.622 -10.163 1.00 10.00 H new ATOM 0 HA SER A 15 -8.114 2.771 -7.448 1.00 10.00 H new ATOM 0 HB2 SER A 15 -9.180 4.919 -6.555 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.456 4.966 -6.865 1.00 10.00 H new ATOM 0 HG SER A 15 -8.547 6.835 -7.690 1.00 10.00 H new ATOM 217 N PHE A 16 -10.719 2.742 -7.351 1.00 10.00 N ATOM 218 CA PHE A 16 -12.120 2.332 -7.416 1.00 10.00 C ATOM 219 C PHE A 16 -12.728 2.426 -6.008 1.00 10.00 C ATOM 220 O PHE A 16 -12.018 2.697 -5.036 1.00 10.00 O ATOM 221 CB PHE A 16 -12.191 0.893 -7.966 1.00 10.00 C ATOM 222 CG PHE A 16 -13.564 0.381 -8.365 1.00 10.00 C ATOM 223 CD1 PHE A 16 -14.331 1.076 -9.322 1.00 10.00 C ATOM 224 CD2 PHE A 16 -14.056 -0.822 -7.820 1.00 10.00 C ATOM 225 CE1 PHE A 16 -15.587 0.582 -9.716 1.00 10.00 C ATOM 226 CE2 PHE A 16 -15.308 -1.320 -8.223 1.00 10.00 C ATOM 227 CZ PHE A 16 -16.077 -0.616 -9.166 1.00 10.00 C ATOM 0 H PHE A 16 -10.333 2.668 -6.410 1.00 10.00 H new ATOM 0 HA PHE A 16 -12.689 2.982 -8.081 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -11.538 0.829 -8.836 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.783 0.220 -7.212 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -13.953 1.991 -9.754 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.470 -1.363 -7.091 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -16.176 1.123 -10.442 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -15.679 -2.245 -7.807 1.00 10.00 H new ATOM 0 HZ PHE A 16 -17.042 -0.995 -9.468 1.00 10.00 H new ATOM 237 N VAL A 17 -14.029 2.162 -5.877 1.00 10.00 N ATOM 238 CA VAL A 17 -14.732 2.070 -4.602 1.00 10.00 C ATOM 239 C VAL A 17 -15.634 0.839 -4.712 1.00 10.00 C ATOM 240 O VAL A 17 -16.344 0.680 -5.708 1.00 10.00 O ATOM 241 CB VAL A 17 -15.519 3.370 -4.309 1.00 10.00 C ATOM 242 CG1 VAL A 17 -16.265 3.296 -2.967 1.00 10.00 C ATOM 243 CG2 VAL A 17 -14.604 4.606 -4.268 1.00 10.00 C ATOM 0 H VAL A 17 -14.638 2.002 -6.680 1.00 10.00 H new ATOM 0 HA VAL A 17 -14.047 1.961 -3.761 1.00 10.00 H new ATOM 0 HB VAL A 17 -16.232 3.468 -5.128 1.00 10.00 H new ATOM 0 HG11 VAL A 17 -16.805 4.228 -2.799 1.00 10.00 H new ATOM 0 HG12 VAL A 17 -16.972 2.466 -2.989 1.00 10.00 H new ATOM 0 HG13 VAL A 17 -15.548 3.141 -2.160 1.00 10.00 H new ATOM 0 HG21 VAL A 17 -15.201 5.494 -4.059 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -13.856 4.479 -3.485 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -14.106 4.722 -5.230 1.00 10.00 H new ATOM 253 N LEU A 18 -15.584 -0.042 -3.712 1.00 10.00 N ATOM 254 CA LEU A 18 -16.311 -1.307 -3.674 1.00 10.00 C ATOM 255 C LEU A 18 -16.551 -1.642 -2.207 1.00 10.00 C ATOM 256 O LEU A 18 -15.641 -1.485 -1.392 1.00 10.00 O ATOM 257 CB LEU A 18 -15.474 -2.407 -4.361 1.00 10.00 C ATOM 258 CG LEU A 18 -16.056 -3.833 -4.269 1.00 10.00 C ATOM 259 CD1 LEU A 18 -17.373 -3.969 -5.044 1.00 10.00 C ATOM 260 CD2 LEU A 18 -15.042 -4.840 -4.823 1.00 10.00 C ATOM 0 H LEU A 18 -15.016 0.113 -2.879 1.00 10.00 H new ATOM 0 HA LEU A 18 -17.261 -1.236 -4.203 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -15.357 -2.147 -5.413 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -14.477 -2.410 -3.921 1.00 10.00 H new ATOM 0 HG LEU A 18 -16.261 -4.036 -3.218 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -17.746 -4.989 -4.951 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -18.108 -3.275 -4.636 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -17.202 -3.740 -6.096 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -15.455 -5.846 -4.757 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -14.827 -4.604 -5.865 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -14.122 -4.787 -4.241 1.00 10.00 H new ATOM 272 N ASP A 19 -17.757 -2.123 -1.894 1.00 10.00 N ATOM 273 CA ASP A 19 -18.212 -2.513 -0.556 1.00 10.00 C ATOM 274 C ASP A 19 -17.852 -1.474 0.515 1.00 10.00 C ATOM 275 O ASP A 19 -17.227 -1.774 1.536 1.00 10.00 O ATOM 276 CB ASP A 19 -17.764 -3.944 -0.219 1.00 10.00 C ATOM 277 CG ASP A 19 -18.367 -4.441 1.109 1.00 10.00 C ATOM 278 OD1 ASP A 19 -19.569 -4.203 1.372 1.00 10.00 O ATOM 279 OD2 ASP A 19 -17.661 -5.134 1.878 1.00 10.00 O ATOM 0 H ASP A 19 -18.479 -2.258 -2.602 1.00 10.00 H new ATOM 0 HA ASP A 19 -19.302 -2.528 -0.562 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -18.060 -4.616 -1.025 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -16.676 -3.978 -0.158 1.00 10.00 H new ATOM 284 N GLY A 20 -18.207 -0.213 0.240 1.00 10.00 N ATOM 285 CA GLY A 20 -18.037 0.906 1.164 1.00 10.00 C ATOM 286 C GLY A 20 -16.575 1.181 1.527 1.00 10.00 C ATOM 287 O GLY A 20 -16.307 1.762 2.581 1.00 10.00 O ATOM 0 H GLY A 20 -18.628 0.059 -0.648 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -18.468 1.803 0.719 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -18.598 0.702 2.076 1.00 10.00 H new ATOM 291 N THR A 21 -15.635 0.763 0.677 1.00 10.00 N ATOM 292 CA THR A 21 -14.200 0.833 0.911 1.00 10.00 C ATOM 293 C THR A 21 -13.573 1.411 -0.363 1.00 10.00 C ATOM 294 O THR A 21 -14.052 1.133 -1.466 1.00 10.00 O ATOM 295 CB THR A 21 -13.698 -0.589 1.247 1.00 10.00 C ATOM 296 OG1 THR A 21 -14.471 -1.174 2.283 1.00 10.00 O ATOM 297 CG2 THR A 21 -12.232 -0.616 1.693 1.00 10.00 C ATOM 0 H THR A 21 -15.867 0.351 -0.227 1.00 10.00 H new ATOM 0 HA THR A 21 -13.927 1.474 1.750 1.00 10.00 H new ATOM 0 HB THR A 21 -13.798 -1.154 0.320 1.00 10.00 H new ATOM 0 HG1 THR A 21 -15.365 -1.387 1.943 1.00 10.00 H new ATOM 0 HG21 THR A 21 -11.938 -1.642 1.915 1.00 10.00 H new ATOM 0 HG22 THR A 21 -11.602 -0.222 0.896 1.00 10.00 H new ATOM 0 HG23 THR A 21 -12.112 -0.003 2.586 1.00 10.00 H new ATOM 305 N LYS A 22 -12.531 2.239 -0.228 1.00 10.00 N ATOM 306 CA LYS A 22 -11.789 2.779 -1.368 1.00 10.00 C ATOM 307 C LYS A 22 -10.633 1.833 -1.693 1.00 10.00 C ATOM 308 O LYS A 22 -10.092 1.172 -0.804 1.00 10.00 O ATOM 309 CB LYS A 22 -11.310 4.206 -1.048 1.00 10.00 C ATOM 310 CG LYS A 22 -10.678 4.904 -2.269 1.00 10.00 C ATOM 311 CD LYS A 22 -10.447 6.408 -2.058 1.00 10.00 C ATOM 312 CE LYS A 22 -9.436 6.694 -0.937 1.00 10.00 C ATOM 313 NZ LYS A 22 -9.186 8.147 -0.767 1.00 10.00 N ATOM 0 H LYS A 22 -12.180 2.553 0.677 1.00 10.00 H new ATOM 0 HA LYS A 22 -12.427 2.848 -2.249 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -12.153 4.798 -0.691 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -10.582 4.168 -0.238 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -9.726 4.426 -2.499 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.324 4.761 -3.135 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.090 6.852 -2.987 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -11.396 6.889 -1.819 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -9.807 6.279 -0.000 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -8.496 6.189 -1.160 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -8.498 8.294 -0.001 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -8.807 8.540 -1.652 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -10.077 8.627 -0.529 1.00 10.00 H new ATOM 327 N TRP A 23 -10.246 1.796 -2.963 1.00 10.00 N ATOM 328 CA TRP A 23 -9.298 0.858 -3.539 1.00 10.00 C ATOM 329 C TRP A 23 -8.386 1.682 -4.465 1.00 10.00 C ATOM 330 O TRP A 23 -8.872 2.614 -5.112 1.00 10.00 O ATOM 331 CB TRP A 23 -10.126 -0.232 -4.254 1.00 10.00 C ATOM 332 CG TRP A 23 -10.987 -1.090 -3.366 1.00 10.00 C ATOM 333 CD1 TRP A 23 -12.234 -0.770 -2.969 1.00 10.00 C ATOM 334 CD2 TRP A 23 -10.713 -2.396 -2.757 1.00 10.00 C ATOM 335 NE1 TRP A 23 -12.734 -1.735 -2.122 1.00 10.00 N ATOM 336 CE2 TRP A 23 -11.843 -2.774 -1.965 1.00 10.00 C ATOM 337 CE3 TRP A 23 -9.638 -3.312 -2.795 1.00 10.00 C ATOM 338 CZ2 TRP A 23 -11.891 -3.982 -1.249 1.00 10.00 C ATOM 339 CZ3 TRP A 23 -9.672 -4.524 -2.080 1.00 10.00 C ATOM 340 CH2 TRP A 23 -10.796 -4.861 -1.307 1.00 10.00 C ATOM 0 H TRP A 23 -10.606 2.456 -3.652 1.00 10.00 H new ATOM 0 HA TRP A 23 -8.657 0.347 -2.821 1.00 10.00 H new ATOM 0 HB2 TRP A 23 -10.766 0.251 -4.992 1.00 10.00 H new ATOM 0 HB3 TRP A 23 -9.442 -0.881 -4.801 1.00 10.00 H new ATOM 0 HD1 TRP A 23 -12.767 0.119 -3.272 1.00 10.00 H new ATOM 0 HE1 TRP A 23 -13.647 -1.686 -1.669 1.00 10.00 H new ATOM 0 HE3 TRP A 23 -8.767 -3.076 -3.388 1.00 10.00 H new ATOM 0 HZ2 TRP A 23 -12.761 -4.233 -0.660 1.00 10.00 H new ATOM 0 HZ3 TRP A 23 -8.830 -5.198 -2.126 1.00 10.00 H new ATOM 0 HH2 TRP A 23 -10.818 -5.792 -0.760 1.00 10.00 H new ATOM 351 N ILE A 24 -7.075 1.414 -4.506 1.00 10.00 N ATOM 352 CA ILE A 24 -6.071 2.278 -5.134 1.00 10.00 C ATOM 353 C ILE A 24 -4.829 1.484 -5.592 1.00 10.00 C ATOM 354 O ILE A 24 -4.536 0.397 -5.092 1.00 10.00 O ATOM 355 CB ILE A 24 -5.738 3.440 -4.158 1.00 10.00 C ATOM 356 CG1 ILE A 24 -4.905 4.546 -4.842 1.00 10.00 C ATOM 357 CG2 ILE A 24 -5.076 2.945 -2.857 1.00 10.00 C ATOM 358 CD1 ILE A 24 -4.855 5.860 -4.053 1.00 10.00 C ATOM 0 H ILE A 24 -6.675 0.571 -4.094 1.00 10.00 H new ATOM 0 HA ILE A 24 -6.474 2.707 -6.051 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.691 3.886 -3.871 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -3.888 4.183 -4.990 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.320 4.742 -5.830 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -4.864 3.796 -2.210 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -5.750 2.259 -2.344 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -4.146 2.430 -3.095 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -4.252 6.588 -4.596 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -5.866 6.248 -3.927 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -4.411 5.680 -3.074 1.00 10.00 H new ATOM 370 N PHE A 25 -4.104 2.023 -6.572 1.00 10.00 N ATOM 371 CA PHE A 25 -2.803 1.552 -7.045 1.00 10.00 C ATOM 372 C PHE A 25 -1.750 1.519 -5.926 1.00 10.00 C ATOM 373 O PHE A 25 -1.820 2.305 -4.976 1.00 10.00 O ATOM 374 CB PHE A 25 -2.376 2.486 -8.194 1.00 10.00 C ATOM 375 CG PHE A 25 -0.963 2.317 -8.729 1.00 10.00 C ATOM 376 CD1 PHE A 25 -0.558 1.099 -9.306 1.00 10.00 C ATOM 377 CD2 PHE A 25 -0.056 3.395 -8.685 1.00 10.00 C ATOM 378 CE1 PHE A 25 0.728 0.962 -9.853 1.00 10.00 C ATOM 379 CE2 PHE A 25 1.236 3.256 -9.226 1.00 10.00 C ATOM 380 CZ PHE A 25 1.627 2.042 -9.816 1.00 10.00 C ATOM 0 H PHE A 25 -4.426 2.844 -7.085 1.00 10.00 H new ATOM 0 HA PHE A 25 -2.885 0.522 -7.393 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -3.071 2.345 -9.022 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.489 3.515 -7.854 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.242 0.263 -9.328 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -0.353 4.331 -8.235 1.00 10.00 H new ATOM 0 HE1 PHE A 25 1.027 0.026 -10.302 1.00 10.00 H new ATOM 0 HE2 PHE A 25 1.928 4.084 -9.188 1.00 10.00 H new ATOM 0 HZ PHE A 25 2.615 1.939 -10.240 1.00 10.00 H new ATOM 390 N LYS A 26 -0.732 0.657 -6.080 1.00 10.00 N ATOM 391 CA LYS A 26 0.482 0.680 -5.262 1.00 10.00 C ATOM 392 C LYS A 26 1.704 0.473 -6.164 1.00 10.00 C ATOM 393 O LYS A 26 2.513 1.398 -6.245 1.00 10.00 O ATOM 394 CB LYS A 26 0.348 -0.317 -4.090 1.00 10.00 C ATOM 395 CG LYS A 26 1.379 -0.181 -2.956 1.00 10.00 C ATOM 396 CD LYS A 26 2.810 -0.604 -3.332 1.00 10.00 C ATOM 397 CE LYS A 26 3.705 -0.821 -2.100 1.00 10.00 C ATOM 398 NZ LYS A 26 3.952 0.425 -1.329 1.00 10.00 N ATOM 0 H LYS A 26 -0.733 -0.081 -6.784 1.00 10.00 H new ATOM 0 HA LYS A 26 0.627 1.651 -4.788 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -0.648 -0.208 -3.661 1.00 10.00 H new ATOM 0 HB3 LYS A 26 0.413 -1.328 -4.492 1.00 10.00 H new ATOM 0 HG2 LYS A 26 1.397 0.857 -2.623 1.00 10.00 H new ATOM 0 HG3 LYS A 26 1.048 -0.782 -2.109 1.00 10.00 H new ATOM 0 HD2 LYS A 26 2.772 -1.524 -3.915 1.00 10.00 H new ATOM 0 HD3 LYS A 26 3.255 0.160 -3.970 1.00 10.00 H new ATOM 0 HE2 LYS A 26 3.240 -1.559 -1.446 1.00 10.00 H new ATOM 0 HE3 LYS A 26 4.660 -1.237 -2.421 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 4.560 0.213 -0.513 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 4.422 1.123 -1.939 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 3.046 0.812 -0.995 1.00 10.00 H new ATOM 412 N SER A 27 1.850 -0.658 -6.871 1.00 10.00 N ATOM 413 CA SER A 27 2.955 -0.857 -7.815 1.00 10.00 C ATOM 414 C SER A 27 2.655 -1.990 -8.805 1.00 10.00 C ATOM 415 O SER A 27 1.921 -2.927 -8.488 1.00 10.00 O ATOM 416 CB SER A 27 4.242 -1.173 -7.033 1.00 10.00 C ATOM 417 OG SER A 27 5.383 -1.000 -7.855 1.00 10.00 O ATOM 0 H SER A 27 1.212 -1.451 -6.804 1.00 10.00 H new ATOM 0 HA SER A 27 3.083 0.060 -8.390 1.00 10.00 H new ATOM 0 HB2 SER A 27 4.313 -0.522 -6.162 1.00 10.00 H new ATOM 0 HB3 SER A 27 4.206 -2.198 -6.663 1.00 10.00 H new ATOM 0 HG SER A 27 6.191 -1.204 -7.340 1.00 10.00 H new ATOM 423 N LYS A 28 3.280 -1.953 -9.987 1.00 10.00 N ATOM 424 CA LYS A 28 3.326 -3.074 -10.926 1.00 10.00 C ATOM 425 C LYS A 28 4.661 -3.056 -11.673 1.00 10.00 C ATOM 426 O LYS A 28 5.315 -2.012 -11.736 1.00 10.00 O ATOM 427 CB LYS A 28 2.118 -3.066 -11.889 1.00 10.00 C ATOM 428 CG LYS A 28 2.058 -1.863 -12.848 1.00 10.00 C ATOM 429 CD LYS A 28 1.023 -2.086 -13.962 1.00 10.00 C ATOM 430 CE LYS A 28 1.112 -0.953 -14.995 1.00 10.00 C ATOM 431 NZ LYS A 28 0.577 -1.354 -16.319 1.00 10.00 N ATOM 0 H LYS A 28 3.776 -1.127 -10.322 1.00 10.00 H new ATOM 0 HA LYS A 28 3.255 -4.007 -10.366 1.00 10.00 H new ATOM 0 HB2 LYS A 28 2.138 -3.982 -12.480 1.00 10.00 H new ATOM 0 HB3 LYS A 28 1.202 -3.087 -11.299 1.00 10.00 H new ATOM 0 HG2 LYS A 28 1.805 -0.962 -12.289 1.00 10.00 H new ATOM 0 HG3 LYS A 28 3.041 -1.698 -13.290 1.00 10.00 H new ATOM 0 HD2 LYS A 28 1.199 -3.046 -14.447 1.00 10.00 H new ATOM 0 HD3 LYS A 28 0.020 -2.123 -13.536 1.00 10.00 H new ATOM 0 HE2 LYS A 28 0.560 -0.087 -14.630 1.00 10.00 H new ATOM 0 HE3 LYS A 28 2.152 -0.645 -15.104 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 0.373 -0.504 -16.883 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 1.280 -1.938 -16.815 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -0.298 -1.901 -16.189 1.00 10.00 H new ATOM 445 N TYR A 29 5.047 -4.188 -12.259 1.00 10.00 N ATOM 446 CA TYR A 29 6.225 -4.340 -13.107 1.00 10.00 C ATOM 447 C TYR A 29 5.962 -5.460 -14.116 1.00 10.00 C ATOM 448 O TYR A 29 5.098 -6.313 -13.890 1.00 10.00 O ATOM 449 CB TYR A 29 7.471 -4.643 -12.253 1.00 10.00 C ATOM 450 CG TYR A 29 7.488 -5.996 -11.555 1.00 10.00 C ATOM 451 CD1 TYR A 29 6.820 -6.173 -10.326 1.00 10.00 C ATOM 452 CD2 TYR A 29 8.202 -7.072 -12.120 1.00 10.00 C ATOM 453 CE1 TYR A 29 6.866 -7.413 -9.665 1.00 10.00 C ATOM 454 CE2 TYR A 29 8.253 -8.315 -11.465 1.00 10.00 C ATOM 455 CZ TYR A 29 7.586 -8.491 -10.230 1.00 10.00 C ATOM 456 OH TYR A 29 7.637 -9.684 -9.574 1.00 10.00 O ATOM 0 H TYR A 29 4.526 -5.058 -12.151 1.00 10.00 H new ATOM 0 HA TYR A 29 6.417 -3.411 -13.643 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.351 -4.575 -12.893 1.00 10.00 H new ATOM 0 HB3 TYR A 29 7.566 -3.865 -11.496 1.00 10.00 H new ATOM 0 HD1 TYR A 29 6.270 -5.352 -9.890 1.00 10.00 H new ATOM 0 HD2 TYR A 29 8.713 -6.941 -13.062 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.351 -7.542 -8.725 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.801 -9.135 -11.905 1.00 10.00 H new ATOM 0 HH TYR A 29 8.170 -10.321 -10.094 1.00 10.00 H new ATOM 466 N TYR A 30 6.691 -5.468 -15.233 1.00 10.00 N ATOM 467 CA TYR A 30 6.612 -6.544 -16.211 1.00 10.00 C ATOM 468 C TYR A 30 7.657 -7.591 -15.832 1.00 10.00 C ATOM 469 O TYR A 30 8.847 -7.280 -15.745 1.00 10.00 O ATOM 470 CB TYR A 30 6.817 -5.994 -17.626 1.00 10.00 C ATOM 471 CG TYR A 30 6.545 -7.015 -18.716 1.00 10.00 C ATOM 472 CD1 TYR A 30 5.227 -7.451 -18.952 1.00 10.00 C ATOM 473 CD2 TYR A 30 7.596 -7.517 -19.505 1.00 10.00 C ATOM 474 CE1 TYR A 30 4.955 -8.370 -19.979 1.00 10.00 C ATOM 475 CE2 TYR A 30 7.334 -8.437 -20.536 1.00 10.00 C ATOM 476 CZ TYR A 30 6.008 -8.862 -20.782 1.00 10.00 C ATOM 477 OH TYR A 30 5.731 -9.733 -21.793 1.00 10.00 O ATOM 0 H TYR A 30 7.349 -4.730 -15.481 1.00 10.00 H new ATOM 0 HA TYR A 30 5.627 -7.010 -16.207 1.00 10.00 H new ATOM 0 HB2 TYR A 30 6.162 -5.135 -17.772 1.00 10.00 H new ATOM 0 HB3 TYR A 30 7.841 -5.634 -17.723 1.00 10.00 H new ATOM 0 HD1 TYR A 30 4.420 -7.076 -18.340 1.00 10.00 H new ATOM 0 HD2 TYR A 30 8.610 -7.194 -19.318 1.00 10.00 H new ATOM 0 HE1 TYR A 30 3.942 -8.700 -20.155 1.00 10.00 H new ATOM 0 HE2 TYR A 30 8.145 -8.818 -21.139 1.00 10.00 H new ATOM 0 HH TYR A 30 6.562 -9.977 -22.252 1.00 10.00 H new ATOM 487 N ASP A 31 7.219 -8.820 -15.568 1.00 10.00 N ATOM 488 CA ASP A 31 8.089 -9.935 -15.220 1.00 10.00 C ATOM 489 C ASP A 31 8.546 -10.614 -16.507 1.00 10.00 C ATOM 490 O ASP A 31 8.011 -11.649 -16.910 1.00 10.00 O ATOM 491 CB ASP A 31 7.392 -10.915 -14.266 1.00 10.00 C ATOM 492 CG ASP A 31 8.311 -12.093 -13.888 1.00 10.00 C ATOM 493 OD1 ASP A 31 9.553 -11.941 -13.923 1.00 10.00 O ATOM 494 OD2 ASP A 31 7.788 -13.157 -13.490 1.00 10.00 O ATOM 0 H ASP A 31 6.231 -9.071 -15.591 1.00 10.00 H new ATOM 0 HA ASP A 31 8.963 -9.565 -14.684 1.00 10.00 H new ATOM 0 HB2 ASP A 31 7.086 -10.388 -13.362 1.00 10.00 H new ATOM 0 HB3 ASP A 31 6.485 -11.297 -14.735 1.00 10.00 H new ATOM 499 N SER A 32 9.500 -9.989 -17.200 1.00 10.00 N ATOM 500 CA SER A 32 10.016 -10.423 -18.495 1.00 10.00 C ATOM 501 C SER A 32 10.457 -11.896 -18.511 1.00 10.00 C ATOM 502 O SER A 32 10.377 -12.549 -19.552 1.00 10.00 O ATOM 503 CB SER A 32 11.190 -9.515 -18.889 1.00 10.00 C ATOM 504 OG SER A 32 10.900 -8.150 -18.623 1.00 10.00 O ATOM 0 H SER A 32 9.948 -9.138 -16.861 1.00 10.00 H new ATOM 0 HA SER A 32 9.203 -10.342 -19.217 1.00 10.00 H new ATOM 0 HB2 SER A 32 12.083 -9.813 -18.339 1.00 10.00 H new ATOM 0 HB3 SER A 32 11.411 -9.642 -19.949 1.00 10.00 H new ATOM 0 HG SER A 32 11.666 -7.596 -18.882 1.00 10.00 H new ATOM 510 N SER A 33 10.881 -12.435 -17.363 1.00 10.00 N ATOM 511 CA SER A 33 11.296 -13.824 -17.202 1.00 10.00 C ATOM 512 C SER A 33 10.151 -14.829 -17.427 1.00 10.00 C ATOM 513 O SER A 33 10.428 -16.008 -17.656 1.00 10.00 O ATOM 514 CB SER A 33 11.901 -13.998 -15.802 1.00 10.00 C ATOM 515 OG SER A 33 12.851 -12.974 -15.531 1.00 10.00 O ATOM 0 H SER A 33 10.945 -11.898 -16.498 1.00 10.00 H new ATOM 0 HA SER A 33 12.038 -14.042 -17.970 1.00 10.00 H new ATOM 0 HB2 SER A 33 11.109 -13.973 -15.053 1.00 10.00 H new ATOM 0 HB3 SER A 33 12.380 -14.974 -15.727 1.00 10.00 H new ATOM 0 HG SER A 33 13.223 -13.102 -14.634 1.00 10.00 H new ATOM 521 N LYS A 34 8.883 -14.392 -17.386 1.00 10.00 N ATOM 522 CA LYS A 34 7.706 -15.232 -17.642 1.00 10.00 C ATOM 523 C LYS A 34 6.735 -14.585 -18.636 1.00 10.00 C ATOM 524 O LYS A 34 5.907 -15.294 -19.208 1.00 10.00 O ATOM 525 CB LYS A 34 6.986 -15.565 -16.323 1.00 10.00 C ATOM 526 CG LYS A 34 7.794 -16.418 -15.327 1.00 10.00 C ATOM 527 CD LYS A 34 8.043 -17.850 -15.834 1.00 10.00 C ATOM 528 CE LYS A 34 8.745 -18.735 -14.793 1.00 10.00 C ATOM 529 NZ LYS A 34 10.147 -18.321 -14.526 1.00 10.00 N ATOM 0 H LYS A 34 8.644 -13.424 -17.169 1.00 10.00 H new ATOM 0 HA LYS A 34 8.062 -16.156 -18.097 1.00 10.00 H new ATOM 0 HB2 LYS A 34 6.709 -14.631 -15.834 1.00 10.00 H new ATOM 0 HB3 LYS A 34 6.060 -16.090 -16.557 1.00 10.00 H new ATOM 0 HG2 LYS A 34 8.751 -15.934 -15.134 1.00 10.00 H new ATOM 0 HG3 LYS A 34 7.262 -16.461 -14.377 1.00 10.00 H new ATOM 0 HD2 LYS A 34 7.091 -18.304 -16.108 1.00 10.00 H new ATOM 0 HD3 LYS A 34 8.649 -17.810 -16.739 1.00 10.00 H new ATOM 0 HE2 LYS A 34 8.180 -18.707 -13.861 1.00 10.00 H new ATOM 0 HE3 LYS A 34 8.737 -19.769 -15.139 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 10.567 -18.955 -13.816 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 10.698 -18.373 -15.406 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 10.158 -17.345 -14.168 1.00 10.00 H new ATOM 543 N GLY A 35 6.857 -13.282 -18.904 1.00 10.00 N ATOM 544 CA GLY A 35 6.171 -12.623 -20.005 1.00 10.00 C ATOM 545 C GLY A 35 4.761 -12.171 -19.629 1.00 10.00 C ATOM 546 O GLY A 35 3.844 -12.303 -20.442 1.00 10.00 O ATOM 0 H GLY A 35 7.442 -12.654 -18.354 1.00 10.00 H new ATOM 0 HA2 GLY A 35 6.753 -11.759 -20.326 1.00 10.00 H new ATOM 0 HA3 GLY A 35 6.116 -13.304 -20.854 1.00 10.00 H new ATOM 550 N TYR A 36 4.568 -11.667 -18.407 1.00 10.00 N ATOM 551 CA TYR A 36 3.316 -11.058 -17.964 1.00 10.00 C ATOM 552 C TYR A 36 3.618 -9.960 -16.943 1.00 10.00 C ATOM 553 O TYR A 36 4.722 -9.901 -16.396 1.00 10.00 O ATOM 554 CB TYR A 36 2.351 -12.122 -17.408 1.00 10.00 C ATOM 555 CG TYR A 36 2.930 -13.164 -16.462 1.00 10.00 C ATOM 556 CD1 TYR A 36 3.366 -12.800 -15.173 1.00 10.00 C ATOM 557 CD2 TYR A 36 2.982 -14.515 -16.858 1.00 10.00 C ATOM 558 CE1 TYR A 36 3.861 -13.774 -14.288 1.00 10.00 C ATOM 559 CE2 TYR A 36 3.456 -15.497 -15.972 1.00 10.00 C ATOM 560 CZ TYR A 36 3.901 -15.132 -14.681 1.00 10.00 C ATOM 561 OH TYR A 36 4.365 -16.094 -13.835 1.00 10.00 O ATOM 0 H TYR A 36 5.291 -11.672 -17.688 1.00 10.00 H new ATOM 0 HA TYR A 36 2.813 -10.600 -18.816 1.00 10.00 H new ATOM 0 HB2 TYR A 36 1.544 -11.606 -16.888 1.00 10.00 H new ATOM 0 HB3 TYR A 36 1.903 -12.645 -18.253 1.00 10.00 H new ATOM 0 HD1 TYR A 36 3.320 -11.767 -14.863 1.00 10.00 H new ATOM 0 HD2 TYR A 36 2.656 -14.797 -17.848 1.00 10.00 H new ATOM 0 HE1 TYR A 36 4.211 -13.485 -13.308 1.00 10.00 H new ATOM 0 HE2 TYR A 36 3.480 -16.532 -16.278 1.00 10.00 H new ATOM 0 HH TYR A 36 4.317 -16.968 -14.276 1.00 10.00 H new ATOM 571 N TRP A 37 2.649 -9.081 -16.682 1.00 10.00 N ATOM 572 CA TRP A 37 2.761 -8.109 -15.606 1.00 10.00 C ATOM 573 C TRP A 37 2.491 -8.797 -14.273 1.00 10.00 C ATOM 574 O TRP A 37 1.760 -9.787 -14.202 1.00 10.00 O ATOM 575 CB TRP A 37 1.786 -6.948 -15.825 1.00 10.00 C ATOM 576 CG TRP A 37 2.173 -5.991 -16.911 1.00 10.00 C ATOM 577 CD1 TRP A 37 1.885 -6.120 -18.225 1.00 10.00 C ATOM 578 CD2 TRP A 37 2.907 -4.734 -16.792 1.00 10.00 C ATOM 579 NE1 TRP A 37 2.389 -5.042 -18.923 1.00 10.00 N ATOM 580 CE2 TRP A 37 3.030 -4.151 -18.088 1.00 10.00 C ATOM 581 CE3 TRP A 37 3.470 -4.021 -15.713 1.00 10.00 C ATOM 582 CZ2 TRP A 37 3.682 -2.927 -18.298 1.00 10.00 C ATOM 583 CZ3 TRP A 37 4.138 -2.798 -15.913 1.00 10.00 C ATOM 584 CH2 TRP A 37 4.243 -2.249 -17.203 1.00 10.00 C ATOM 0 H TRP A 37 1.776 -9.027 -17.207 1.00 10.00 H new ATOM 0 HA TRP A 37 3.771 -7.699 -15.597 1.00 10.00 H new ATOM 0 HB2 TRP A 37 0.803 -7.358 -16.056 1.00 10.00 H new ATOM 0 HB3 TRP A 37 1.689 -6.394 -14.891 1.00 10.00 H new ATOM 0 HD1 TRP A 37 1.341 -6.944 -18.663 1.00 10.00 H new ATOM 0 HE1 TRP A 37 2.299 -4.919 -19.932 1.00 10.00 H new ATOM 0 HE3 TRP A 37 3.387 -4.421 -14.713 1.00 10.00 H new ATOM 0 HZ2 TRP A 37 3.752 -2.510 -19.292 1.00 10.00 H new ATOM 0 HZ3 TRP A 37 4.572 -2.279 -15.071 1.00 10.00 H new ATOM 0 HH2 TRP A 37 4.753 -1.309 -17.352 1.00 10.00 H new ATOM 595 N VAL A 38 3.049 -8.222 -13.215 1.00 10.00 N ATOM 596 CA VAL A 38 2.902 -8.627 -11.827 1.00 10.00 C ATOM 597 C VAL A 38 2.737 -7.326 -11.039 1.00 10.00 C ATOM 598 O VAL A 38 3.273 -6.292 -11.448 1.00 10.00 O ATOM 599 CB VAL A 38 4.152 -9.426 -11.390 1.00 10.00 C ATOM 600 CG1 VAL A 38 4.086 -9.850 -9.913 1.00 10.00 C ATOM 601 CG2 VAL A 38 4.362 -10.677 -12.260 1.00 10.00 C ATOM 0 H VAL A 38 3.655 -7.408 -13.313 1.00 10.00 H new ATOM 0 HA VAL A 38 2.046 -9.281 -11.659 1.00 10.00 H new ATOM 0 HB VAL A 38 4.996 -8.750 -11.523 1.00 10.00 H new ATOM 0 HG11 VAL A 38 4.986 -10.408 -9.654 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.015 -8.963 -9.283 1.00 10.00 H new ATOM 0 HG13 VAL A 38 3.210 -10.480 -9.754 1.00 10.00 H new ATOM 0 HG21 VAL A 38 5.250 -11.211 -11.921 1.00 10.00 H new ATOM 0 HG22 VAL A 38 3.492 -11.329 -12.176 1.00 10.00 H new ATOM 0 HG23 VAL A 38 4.493 -10.379 -13.300 1.00 10.00 H new ATOM 611 N GLY A 39 2.019 -7.340 -9.916 1.00 10.00 N ATOM 612 CA GLY A 39 1.890 -6.142 -9.107 1.00 10.00 C ATOM 613 C GLY A 39 1.389 -6.401 -7.698 1.00 10.00 C ATOM 614 O GLY A 39 0.907 -7.488 -7.366 1.00 10.00 O ATOM 0 H GLY A 39 1.527 -8.157 -9.555 1.00 10.00 H new ATOM 0 HA2 GLY A 39 2.859 -5.647 -9.052 1.00 10.00 H new ATOM 0 HA3 GLY A 39 1.208 -5.452 -9.603 1.00 10.00 H new ATOM 618 N ILE A 40 1.507 -5.345 -6.898 1.00 10.00 N ATOM 619 CA ILE A 40 1.015 -5.216 -5.539 1.00 10.00 C ATOM 620 C ILE A 40 -0.035 -4.127 -5.695 1.00 10.00 C ATOM 621 O ILE A 40 0.288 -3.027 -6.148 1.00 10.00 O ATOM 622 CB ILE A 40 2.148 -4.780 -4.575 1.00 10.00 C ATOM 623 CG1 ILE A 40 3.361 -5.740 -4.612 1.00 10.00 C ATOM 624 CG2 ILE A 40 1.589 -4.648 -3.145 1.00 10.00 C ATOM 625 CD1 ILE A 40 4.556 -5.258 -3.779 1.00 10.00 C ATOM 0 H ILE A 40 1.984 -4.499 -7.210 1.00 10.00 H new ATOM 0 HA ILE A 40 0.628 -6.142 -5.114 1.00 10.00 H new ATOM 0 HB ILE A 40 2.516 -3.810 -4.910 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.049 -6.720 -4.250 1.00 10.00 H new ATOM 0 HG13 ILE A 40 3.679 -5.869 -5.646 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.387 -4.341 -2.469 1.00 10.00 H new ATOM 0 HG22 ILE A 40 0.796 -3.901 -3.132 1.00 10.00 H new ATOM 0 HG23 ILE A 40 1.188 -5.608 -2.821 1.00 10.00 H new ATOM 0 HD11 ILE A 40 5.367 -5.982 -3.854 1.00 10.00 H new ATOM 0 HD12 ILE A 40 4.896 -4.293 -4.154 1.00 10.00 H new ATOM 0 HD13 ILE A 40 4.255 -5.156 -2.736 1.00 10.00 H new ATOM 637 N TYR A 41 -1.292 -4.429 -5.400 1.00 10.00 N ATOM 638 CA TYR A 41 -2.383 -3.595 -5.864 1.00 10.00 C ATOM 639 C TYR A 41 -3.479 -3.636 -4.820 1.00 10.00 C ATOM 640 O TYR A 41 -3.853 -4.712 -4.372 1.00 10.00 O ATOM 641 CB TYR A 41 -2.874 -4.134 -7.224 1.00 10.00 C ATOM 642 CG TYR A 41 -2.851 -3.113 -8.343 1.00 10.00 C ATOM 643 CD1 TYR A 41 -3.651 -1.962 -8.243 1.00 10.00 C ATOM 644 CD2 TYR A 41 -2.066 -3.320 -9.494 1.00 10.00 C ATOM 645 CE1 TYR A 41 -3.700 -1.039 -9.302 1.00 10.00 C ATOM 646 CE2 TYR A 41 -2.120 -2.408 -10.563 1.00 10.00 C ATOM 647 CZ TYR A 41 -2.942 -1.265 -10.469 1.00 10.00 C ATOM 648 OH TYR A 41 -2.942 -0.333 -11.459 1.00 10.00 O ATOM 0 H TYR A 41 -1.576 -5.238 -4.847 1.00 10.00 H new ATOM 0 HA TYR A 41 -2.069 -2.561 -6.003 1.00 10.00 H new ATOM 0 HB2 TYR A 41 -2.254 -4.984 -7.510 1.00 10.00 H new ATOM 0 HB3 TYR A 41 -3.892 -4.506 -7.108 1.00 10.00 H new ATOM 0 HD1 TYR A 41 -4.231 -1.786 -7.349 1.00 10.00 H new ATOM 0 HD2 TYR A 41 -1.420 -4.183 -9.556 1.00 10.00 H new ATOM 0 HE1 TYR A 41 -4.318 -0.157 -9.222 1.00 10.00 H new ATOM 0 HE2 TYR A 41 -1.534 -2.582 -11.453 1.00 10.00 H new ATOM 0 HH TYR A 41 -2.273 0.355 -11.260 1.00 10.00 H new ATOM 658 N GLU A 42 -4.048 -2.489 -4.466 1.00 10.00 N ATOM 659 CA GLU A 42 -5.216 -2.425 -3.602 1.00 10.00 C ATOM 660 C GLU A 42 -6.421 -2.052 -4.467 1.00 10.00 C ATOM 661 O GLU A 42 -7.267 -1.302 -4.008 1.00 10.00 O ATOM 662 CB GLU A 42 -4.939 -1.481 -2.409 1.00 10.00 C ATOM 663 CG GLU A 42 -5.937 -1.671 -1.255 1.00 10.00 C ATOM 664 CD GLU A 42 -5.433 -1.077 0.071 1.00 10.00 C ATOM 665 OE1 GLU A 42 -5.151 0.141 0.146 1.00 10.00 O ATOM 666 OE2 GLU A 42 -5.359 -1.834 1.066 1.00 10.00 O ATOM 0 H GLU A 42 -3.710 -1.577 -4.772 1.00 10.00 H new ATOM 0 HA GLU A 42 -5.447 -3.386 -3.142 1.00 10.00 H new ATOM 0 HB2 GLU A 42 -3.928 -1.655 -2.041 1.00 10.00 H new ATOM 0 HB3 GLU A 42 -4.980 -0.447 -2.752 1.00 10.00 H new ATOM 0 HG2 GLU A 42 -6.886 -1.204 -1.520 1.00 10.00 H new ATOM 0 HG3 GLU A 42 -6.132 -2.735 -1.121 1.00 10.00 H new ATOM 673 N VAL A 43 -6.506 -2.527 -5.720 1.00 10.00 N ATOM 674 CA VAL A 43 -7.721 -2.421 -6.539 1.00 10.00 C ATOM 675 C VAL A 43 -7.778 -3.512 -7.616 1.00 10.00 C ATOM 676 O VAL A 43 -8.826 -4.141 -7.773 1.00 10.00 O ATOM 677 CB VAL A 43 -7.905 -0.994 -7.127 1.00 10.00 C ATOM 678 CG1 VAL A 43 -6.731 -0.448 -7.942 1.00 10.00 C ATOM 679 CG2 VAL A 43 -9.174 -0.878 -7.977 1.00 10.00 C ATOM 0 H VAL A 43 -5.733 -2.995 -6.193 1.00 10.00 H new ATOM 0 HA VAL A 43 -8.570 -2.591 -5.878 1.00 10.00 H new ATOM 0 HB VAL A 43 -7.977 -0.380 -6.229 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -6.972 0.553 -8.301 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -5.841 -0.404 -7.314 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -6.542 -1.103 -8.792 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -9.260 0.137 -8.366 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -9.121 -1.582 -8.807 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -10.045 -1.106 -7.363 1.00 10.00 H new ATOM 689 N TRP A 44 -6.684 -3.747 -8.353 1.00 10.00 N ATOM 690 CA TRP A 44 -6.679 -4.699 -9.461 1.00 10.00 C ATOM 691 C TRP A 44 -6.939 -6.115 -8.933 1.00 10.00 C ATOM 692 O TRP A 44 -6.527 -6.452 -7.821 1.00 10.00 O ATOM 693 CB TRP A 44 -5.351 -4.593 -10.224 1.00 10.00 C ATOM 694 CG TRP A 44 -5.258 -5.287 -11.551 1.00 10.00 C ATOM 695 CD1 TRP A 44 -6.233 -5.368 -12.487 1.00 10.00 C ATOM 696 CD2 TRP A 44 -4.090 -5.935 -12.145 1.00 10.00 C ATOM 697 NE1 TRP A 44 -5.763 -6.048 -13.592 1.00 10.00 N ATOM 698 CE2 TRP A 44 -4.444 -6.412 -13.441 1.00 10.00 C ATOM 699 CE3 TRP A 44 -2.761 -6.161 -11.726 1.00 10.00 C ATOM 700 CZ2 TRP A 44 -3.535 -7.082 -14.268 1.00 10.00 C ATOM 701 CZ3 TRP A 44 -1.838 -6.844 -12.542 1.00 10.00 C ATOM 702 CH2 TRP A 44 -2.226 -7.314 -13.808 1.00 10.00 C ATOM 0 H TRP A 44 -5.788 -3.285 -8.197 1.00 10.00 H new ATOM 0 HA TRP A 44 -7.480 -4.464 -10.162 1.00 10.00 H new ATOM 0 HB2 TRP A 44 -5.137 -3.536 -10.381 1.00 10.00 H new ATOM 0 HB3 TRP A 44 -4.562 -4.986 -9.583 1.00 10.00 H new ATOM 0 HD1 TRP A 44 -7.228 -4.962 -12.384 1.00 10.00 H new ATOM 0 HE1 TRP A 44 -6.324 -6.255 -14.419 1.00 10.00 H new ATOM 0 HE3 TRP A 44 -2.445 -5.802 -10.758 1.00 10.00 H new ATOM 0 HZ2 TRP A 44 -3.836 -7.418 -15.250 1.00 10.00 H new ATOM 0 HZ3 TRP A 44 -0.829 -7.007 -12.193 1.00 10.00 H new ATOM 0 HH2 TRP A 44 -1.522 -7.851 -14.426 1.00 10.00 H new