USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=12 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 Set 1.1: A 15 SER OG : rot -160:sc= 0.634 USER MOD Set 1.2: A 22 LYS NZ :NH3+ -160:sc= 0.605 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0183) USER MOD Single : A 6 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.4) USER MOD Single : A 7 SER OG : rot 36:sc= 1.17 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 11 ASN : amide:sc= -0.0593 X(o=-0.059,f=-0.56) USER MOD Single : A 21 THR OG1 : rot 73:sc= 0.835 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+ 180:sc= 0 (180deg=0) 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= 0.0345 USER MOD Single : A 33 SER OG : rot 101:sc= 1.33 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= -0.0905 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -4.322 -5.239 0.584 1.00 10.00 N ATOM 14 CA ILE A 2 -3.816 -5.497 -0.766 1.00 10.00 C ATOM 15 C ILE A 2 -4.232 -6.887 -1.275 1.00 10.00 C ATOM 16 O ILE A 2 -4.401 -7.838 -0.505 1.00 10.00 O ATOM 17 CB ILE A 2 -2.279 -5.311 -0.840 1.00 10.00 C ATOM 18 CG1 ILE A 2 -1.522 -6.122 0.239 1.00 10.00 C ATOM 19 CG2 ILE A 2 -1.931 -3.814 -0.778 1.00 10.00 C ATOM 20 CD1 ILE A 2 -0.017 -6.241 -0.029 1.00 10.00 C ATOM 0 HA ILE A 2 -4.272 -4.759 -1.425 1.00 10.00 H new ATOM 0 HB ILE A 2 -1.943 -5.712 -1.796 1.00 10.00 H new ATOM 0 HG12 ILE A 2 -1.674 -5.650 1.210 1.00 10.00 H new ATOM 0 HG13 ILE A 2 -1.952 -7.122 0.299 1.00 10.00 H new ATOM 0 HG21 ILE A 2 -0.849 -3.689 -0.830 1.00 10.00 H new ATOM 0 HG22 ILE A 2 -2.397 -3.297 -1.617 1.00 10.00 H new ATOM 0 HG23 ILE A 2 -2.300 -3.393 0.157 1.00 10.00 H new ATOM 0 HD11 ILE A 2 0.449 -6.822 0.767 1.00 10.00 H new ATOM 0 HD12 ILE A 2 0.144 -6.740 -0.985 1.00 10.00 H new ATOM 0 HD13 ILE A 2 0.427 -5.246 -0.060 1.00 10.00 H new ATOM 32 N LYS A 3 -4.328 -6.993 -2.597 1.00 10.00 N ATOM 33 CA LYS A 3 -4.258 -8.218 -3.378 1.00 10.00 C ATOM 34 C LYS A 3 -2.830 -8.322 -3.926 1.00 10.00 C ATOM 35 O LYS A 3 -2.078 -7.341 -3.949 1.00 10.00 O ATOM 36 CB LYS A 3 -5.260 -8.126 -4.550 1.00 10.00 C ATOM 37 CG LYS A 3 -6.741 -8.215 -4.142 1.00 10.00 C ATOM 38 CD LYS A 3 -7.162 -9.654 -3.791 1.00 10.00 C ATOM 39 CE LYS A 3 -8.641 -9.782 -3.396 1.00 10.00 C ATOM 40 NZ LYS A 3 -9.574 -9.387 -4.481 1.00 10.00 N ATOM 0 H LYS A 3 -4.465 -6.172 -3.186 1.00 10.00 H new ATOM 0 HA LYS A 3 -4.503 -9.090 -2.772 1.00 10.00 H new ATOM 0 HB2 LYS A 3 -5.098 -7.184 -5.075 1.00 10.00 H new ATOM 0 HB3 LYS A 3 -5.044 -8.926 -5.258 1.00 10.00 H new ATOM 0 HG2 LYS A 3 -6.919 -7.567 -3.284 1.00 10.00 H new ATOM 0 HG3 LYS A 3 -7.363 -7.845 -4.957 1.00 10.00 H new ATOM 0 HD2 LYS A 3 -6.966 -10.300 -4.647 1.00 10.00 H new ATOM 0 HD3 LYS A 3 -6.543 -10.015 -2.970 1.00 10.00 H new ATOM 0 HE2 LYS A 3 -8.845 -10.813 -3.108 1.00 10.00 H new ATOM 0 HE3 LYS A 3 -8.831 -9.163 -2.519 1.00 10.00 H new ATOM 0 HZ1 LYS A 3 -10.554 -9.544 -4.170 1.00 10.00 H new ATOM 0 HZ2 LYS A 3 -9.439 -8.381 -4.706 1.00 10.00 H new ATOM 0 HZ3 LYS A 3 -9.384 -9.960 -5.328 1.00 10.00 H new ATOM 54 N LEU A 4 -2.481 -9.498 -4.437 1.00 10.00 N ATOM 55 CA LEU A 4 -1.273 -9.733 -5.220 1.00 10.00 C ATOM 56 C LEU A 4 -1.777 -10.253 -6.559 1.00 10.00 C ATOM 57 O LEU A 4 -2.685 -11.088 -6.582 1.00 10.00 O ATOM 58 CB LEU A 4 -0.362 -10.766 -4.534 1.00 10.00 C ATOM 59 CG LEU A 4 0.160 -10.349 -3.146 1.00 10.00 C ATOM 60 CD1 LEU A 4 0.991 -11.488 -2.546 1.00 10.00 C ATOM 61 CD2 LEU A 4 1.018 -9.081 -3.204 1.00 10.00 C ATOM 0 H LEU A 4 -3.047 -10.338 -4.314 1.00 10.00 H new ATOM 0 HA LEU A 4 -0.672 -8.830 -5.329 1.00 10.00 H new ATOM 0 HB2 LEU A 4 -0.910 -11.703 -4.434 1.00 10.00 H new ATOM 0 HB3 LEU A 4 0.491 -10.964 -5.183 1.00 10.00 H new ATOM 0 HG LEU A 4 -0.709 -10.137 -2.523 1.00 10.00 H new ATOM 0 HD11 LEU A 4 1.360 -11.191 -1.564 1.00 10.00 H new ATOM 0 HD12 LEU A 4 0.370 -12.378 -2.447 1.00 10.00 H new ATOM 0 HD13 LEU A 4 1.835 -11.706 -3.200 1.00 10.00 H new ATOM 0 HD21 LEU A 4 1.362 -8.828 -2.201 1.00 10.00 H new ATOM 0 HD22 LEU A 4 1.879 -9.253 -3.850 1.00 10.00 H new ATOM 0 HD23 LEU A 4 0.425 -8.258 -3.602 1.00 10.00 H new ATOM 73 N VAL A 5 -1.249 -9.725 -7.664 1.00 10.00 N ATOM 74 CA VAL A 5 -1.897 -9.854 -8.965 1.00 10.00 C ATOM 75 C VAL A 5 -0.832 -10.105 -10.028 1.00 10.00 C ATOM 76 O VAL A 5 0.276 -9.570 -9.942 1.00 10.00 O ATOM 77 CB VAL A 5 -2.724 -8.581 -9.282 1.00 10.00 C ATOM 78 CG1 VAL A 5 -3.734 -8.869 -10.402 1.00 10.00 C ATOM 79 CG2 VAL A 5 -3.524 -8.026 -8.088 1.00 10.00 C ATOM 0 H VAL A 5 -0.373 -9.203 -7.681 1.00 10.00 H new ATOM 0 HA VAL A 5 -2.587 -10.698 -8.954 1.00 10.00 H new ATOM 0 HB VAL A 5 -1.983 -7.835 -9.570 1.00 10.00 H new ATOM 0 HG11 VAL A 5 -4.308 -7.967 -10.615 1.00 10.00 H new ATOM 0 HG12 VAL A 5 -3.202 -9.181 -11.301 1.00 10.00 H new ATOM 0 HG13 VAL A 5 -4.410 -9.664 -10.087 1.00 10.00 H new ATOM 0 HG21 VAL A 5 -4.072 -7.137 -8.399 1.00 10.00 H new ATOM 0 HG22 VAL A 5 -4.227 -8.782 -7.738 1.00 10.00 H new ATOM 0 HG23 VAL A 5 -2.839 -7.766 -7.281 1.00 10.00 H new ATOM 89 N GLN A 6 -1.177 -10.895 -11.045 1.00 10.00 N ATOM 90 CA GLN A 6 -0.398 -11.078 -12.255 1.00 10.00 C ATOM 91 C GLN A 6 -1.350 -11.497 -13.373 1.00 10.00 C ATOM 92 O GLN A 6 -2.290 -12.253 -13.117 1.00 10.00 O ATOM 93 CB GLN A 6 0.733 -12.108 -12.049 1.00 10.00 C ATOM 94 CG GLN A 6 0.339 -13.475 -11.452 1.00 10.00 C ATOM 95 CD GLN A 6 0.102 -13.439 -9.938 1.00 10.00 C ATOM 96 OE1 GLN A 6 -1.025 -13.547 -9.463 1.00 10.00 O ATOM 97 NE2 GLN A 6 1.153 -13.291 -9.145 1.00 10.00 N ATOM 0 H GLN A 6 -2.038 -11.441 -11.042 1.00 10.00 H new ATOM 0 HA GLN A 6 0.092 -10.143 -12.525 1.00 10.00 H new ATOM 0 HB2 GLN A 6 1.209 -12.285 -13.013 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.485 -11.659 -11.400 1.00 10.00 H new ATOM 0 HG2 GLN A 6 -0.566 -13.830 -11.945 1.00 10.00 H new ATOM 0 HG3 GLN A 6 1.125 -14.198 -11.671 1.00 10.00 H new ATOM 0 HE21 GLN A 6 2.086 -13.202 -9.547 1.00 10.00 H new ATOM 0 HE22 GLN A 6 1.029 -13.266 -8.133 1.00 10.00 H new ATOM 106 N SER A 7 -1.129 -10.999 -14.590 1.00 10.00 N ATOM 107 CA SER A 7 -1.832 -11.354 -15.826 1.00 10.00 C ATOM 108 C SER A 7 -1.118 -10.656 -16.995 1.00 10.00 C ATOM 109 O SER A 7 -0.499 -9.609 -16.789 1.00 10.00 O ATOM 110 CB SER A 7 -3.304 -10.902 -15.774 1.00 10.00 C ATOM 111 OG SER A 7 -4.079 -11.776 -14.980 1.00 10.00 O ATOM 0 H SER A 7 -0.410 -10.293 -14.750 1.00 10.00 H new ATOM 0 HA SER A 7 -1.820 -12.436 -15.954 1.00 10.00 H new ATOM 0 HB2 SER A 7 -3.363 -9.891 -15.370 1.00 10.00 H new ATOM 0 HB3 SER A 7 -3.712 -10.866 -16.784 1.00 10.00 H new ATOM 0 HG SER A 7 -3.542 -12.095 -14.225 1.00 10.00 H new ATOM 117 N PRO A 8 -1.192 -11.180 -18.231 1.00 10.00 N ATOM 118 CA PRO A 8 -0.474 -10.603 -19.367 1.00 10.00 C ATOM 119 C PRO A 8 -1.029 -9.239 -19.800 1.00 10.00 C ATOM 120 O PRO A 8 -0.286 -8.438 -20.367 1.00 10.00 O ATOM 121 CB PRO A 8 -0.575 -11.647 -20.486 1.00 10.00 C ATOM 122 CG PRO A 8 -1.850 -12.420 -20.150 1.00 10.00 C ATOM 123 CD PRO A 8 -1.866 -12.411 -18.623 1.00 10.00 C ATOM 0 HA PRO A 8 0.562 -10.392 -19.102 1.00 10.00 H new ATOM 0 HB2 PRO A 8 -0.639 -11.177 -21.467 1.00 10.00 H new ATOM 0 HB3 PRO A 8 0.297 -12.301 -20.503 1.00 10.00 H new ATOM 0 HG2 PRO A 8 -2.735 -11.938 -20.566 1.00 10.00 H new ATOM 0 HG3 PRO A 8 -1.823 -13.435 -20.547 1.00 10.00 H new ATOM 0 HD2 PRO A 8 -2.887 -12.437 -18.242 1.00 10.00 H new ATOM 0 HD3 PRO A 8 -1.353 -13.284 -18.221 1.00 10.00 H new ATOM 131 N ASN A 9 -2.314 -8.960 -19.537 1.00 10.00 N ATOM 132 CA ASN A 9 -2.969 -7.735 -20.004 1.00 10.00 C ATOM 133 C ASN A 9 -2.452 -6.483 -19.290 1.00 10.00 C ATOM 134 O ASN A 9 -2.491 -5.405 -19.884 1.00 10.00 O ATOM 135 CB ASN A 9 -4.496 -7.823 -19.833 1.00 10.00 C ATOM 136 CG ASN A 9 -5.146 -8.742 -20.865 1.00 10.00 C ATOM 137 OD1 ASN A 9 -4.932 -8.603 -22.066 1.00 10.00 O ATOM 138 ND2 ASN A 9 -5.942 -9.706 -20.431 1.00 10.00 N ATOM 0 H ASN A 9 -2.923 -9.575 -18.998 1.00 10.00 H new ATOM 0 HA ASN A 9 -2.724 -7.646 -21.062 1.00 10.00 H new ATOM 0 HB2 ASN A 9 -4.726 -8.186 -18.831 1.00 10.00 H new ATOM 0 HB3 ASN A 9 -4.926 -6.825 -19.917 1.00 10.00 H new ATOM 0 HD21 ASN A 9 -6.383 -10.341 -21.096 1.00 10.00 H new ATOM 0 HD22 ASN A 9 -6.114 -9.814 -19.431 1.00 10.00 H new ATOM 145 N GLY A 10 -1.982 -6.604 -18.038 1.00 10.00 N ATOM 146 CA GLY A 10 -1.542 -5.464 -17.234 1.00 10.00 C ATOM 147 C GLY A 10 -2.609 -4.372 -17.156 1.00 10.00 C ATOM 148 O GLY A 10 -2.315 -3.210 -17.445 1.00 10.00 O ATOM 0 H GLY A 10 -1.898 -7.500 -17.558 1.00 10.00 H new ATOM 0 HA2 GLY A 10 -1.296 -5.803 -16.228 1.00 10.00 H new ATOM 0 HA3 GLY A 10 -0.629 -5.049 -17.662 1.00 10.00 H new ATOM 152 N ASN A 11 -3.855 -4.754 -16.852 1.00 10.00 N ATOM 153 CA ASN A 11 -5.017 -3.865 -16.827 1.00 10.00 C ATOM 154 C ASN A 11 -4.956 -2.905 -15.628 1.00 10.00 C ATOM 155 O ASN A 11 -5.654 -3.086 -14.630 1.00 10.00 O ATOM 156 CB ASN A 11 -6.325 -4.674 -16.855 1.00 10.00 C ATOM 157 CG ASN A 11 -7.553 -3.763 -16.807 1.00 10.00 C ATOM 158 OD1 ASN A 11 -7.554 -2.661 -17.353 1.00 10.00 O ATOM 159 ND2 ASN A 11 -8.626 -4.199 -16.173 1.00 10.00 N ATOM 0 H ASN A 11 -4.087 -5.717 -16.610 1.00 10.00 H new ATOM 0 HA ASN A 11 -4.997 -3.250 -17.727 1.00 10.00 H new ATOM 0 HB2 ASN A 11 -6.358 -5.282 -17.759 1.00 10.00 H new ATOM 0 HB3 ASN A 11 -6.347 -5.360 -16.008 1.00 10.00 H new ATOM 0 HD21 ASN A 11 -9.465 -3.620 -16.133 1.00 10.00 H new ATOM 0 HD22 ASN A 11 -8.616 -5.114 -15.723 1.00 10.00 H new ATOM 166 N PHE A 12 -4.074 -1.907 -15.715 1.00 10.00 N ATOM 167 CA PHE A 12 -3.908 -0.849 -14.729 1.00 10.00 C ATOM 168 C PHE A 12 -5.258 -0.164 -14.477 1.00 10.00 C ATOM 169 O PHE A 12 -5.859 0.379 -15.408 1.00 10.00 O ATOM 170 CB PHE A 12 -2.833 0.133 -15.226 1.00 10.00 C ATOM 171 CG PHE A 12 -2.692 1.409 -14.415 1.00 10.00 C ATOM 172 CD1 PHE A 12 -1.927 1.428 -13.233 1.00 10.00 C ATOM 173 CD2 PHE A 12 -3.315 2.594 -14.854 1.00 10.00 C ATOM 174 CE1 PHE A 12 -1.794 2.616 -12.492 1.00 10.00 C ATOM 175 CE2 PHE A 12 -3.174 3.784 -14.119 1.00 10.00 C ATOM 176 CZ PHE A 12 -2.415 3.796 -12.936 1.00 10.00 C ATOM 0 H PHE A 12 -3.435 -1.814 -16.505 1.00 10.00 H new ATOM 0 HA PHE A 12 -3.572 -1.257 -13.776 1.00 10.00 H new ATOM 0 HB2 PHE A 12 -1.872 -0.381 -15.234 1.00 10.00 H new ATOM 0 HB3 PHE A 12 -3.059 0.401 -16.258 1.00 10.00 H new ATOM 0 HD1 PHE A 12 -1.440 0.526 -12.894 1.00 10.00 H new ATOM 0 HD2 PHE A 12 -3.904 2.588 -15.759 1.00 10.00 H new ATOM 0 HE1 PHE A 12 -1.214 2.621 -11.581 1.00 10.00 H new ATOM 0 HE2 PHE A 12 -3.650 4.690 -14.464 1.00 10.00 H new ATOM 0 HZ PHE A 12 -2.309 4.710 -12.370 1.00 10.00 H new ATOM 186 N ALA A 13 -5.733 -0.200 -13.226 1.00 10.00 N ATOM 187 CA ALA A 13 -7.078 0.243 -12.856 1.00 10.00 C ATOM 188 C ALA A 13 -7.105 1.626 -12.183 1.00 10.00 C ATOM 189 O ALA A 13 -8.192 2.164 -11.978 1.00 10.00 O ATOM 190 CB ALA A 13 -7.713 -0.814 -11.943 1.00 10.00 C ATOM 0 H ALA A 13 -5.186 -0.542 -12.435 1.00 10.00 H new ATOM 0 HA ALA A 13 -7.653 0.352 -13.776 1.00 10.00 H new ATOM 0 HB1 ALA A 13 -8.716 -0.495 -11.660 1.00 10.00 H new ATOM 0 HB2 ALA A 13 -7.770 -1.765 -12.472 1.00 10.00 H new ATOM 0 HB3 ALA A 13 -7.104 -0.934 -11.047 1.00 10.00 H new ATOM 196 N ALA A 14 -5.939 2.201 -11.858 1.00 10.00 N ATOM 197 CA ALA A 14 -5.718 3.391 -11.028 1.00 10.00 C ATOM 198 C ALA A 14 -6.387 3.336 -9.644 1.00 10.00 C ATOM 199 O ALA A 14 -5.679 3.211 -8.644 1.00 10.00 O ATOM 200 CB ALA A 14 -6.071 4.670 -11.802 1.00 10.00 C ATOM 0 H ALA A 14 -5.057 1.815 -12.196 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.651 3.409 -10.806 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -5.899 5.539 -11.167 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -5.445 4.741 -12.691 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -7.120 4.639 -12.098 1.00 10.00 H new ATOM 206 N SER A 15 -7.718 3.422 -9.552 1.00 10.00 N ATOM 207 CA SER A 15 -8.458 3.338 -8.297 1.00 10.00 C ATOM 208 C SER A 15 -9.927 2.967 -8.558 1.00 10.00 C ATOM 209 O SER A 15 -10.400 3.052 -9.695 1.00 10.00 O ATOM 210 CB SER A 15 -8.299 4.659 -7.523 1.00 10.00 C ATOM 211 OG SER A 15 -9.002 5.746 -8.101 1.00 10.00 O ATOM 0 H SER A 15 -8.319 3.554 -10.365 1.00 10.00 H new ATOM 0 HA SER A 15 -8.050 2.541 -7.675 1.00 10.00 H new ATOM 0 HB2 SER A 15 -8.648 4.515 -6.500 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.240 4.911 -7.466 1.00 10.00 H new ATOM 0 HG SER A 15 -8.625 6.590 -7.775 1.00 10.00 H new ATOM 217 N PHE A 16 -10.652 2.550 -7.512 1.00 10.00 N ATOM 218 CA PHE A 16 -12.050 2.119 -7.569 1.00 10.00 C ATOM 219 C PHE A 16 -12.672 2.256 -6.172 1.00 10.00 C ATOM 220 O PHE A 16 -11.984 2.642 -5.222 1.00 10.00 O ATOM 221 CB PHE A 16 -12.096 0.659 -8.066 1.00 10.00 C ATOM 222 CG PHE A 16 -13.454 0.105 -8.455 1.00 10.00 C ATOM 223 CD1 PHE A 16 -14.240 0.760 -9.425 1.00 10.00 C ATOM 224 CD2 PHE A 16 -13.915 -1.100 -7.887 1.00 10.00 C ATOM 225 CE1 PHE A 16 -15.483 0.225 -9.808 1.00 10.00 C ATOM 226 CE2 PHE A 16 -15.154 -1.639 -8.278 1.00 10.00 C ATOM 227 CZ PHE A 16 -15.940 -0.974 -9.235 1.00 10.00 C ATOM 0 H PHE A 16 -10.265 2.503 -6.570 1.00 10.00 H new ATOM 0 HA PHE A 16 -12.623 2.739 -8.259 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -11.436 0.574 -8.929 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.682 0.022 -7.284 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -13.886 1.676 -9.875 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.315 -1.611 -7.149 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -16.087 0.736 -10.543 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -15.502 -2.564 -7.843 1.00 10.00 H new ATOM 0 HZ PHE A 16 -16.895 -1.384 -9.530 1.00 10.00 H new ATOM 237 N VAL A 17 -13.953 1.919 -6.023 1.00 10.00 N ATOM 238 CA VAL A 17 -14.658 1.852 -4.746 1.00 10.00 C ATOM 239 C VAL A 17 -15.468 0.554 -4.786 1.00 10.00 C ATOM 240 O VAL A 17 -16.159 0.286 -5.772 1.00 10.00 O ATOM 241 CB VAL A 17 -15.550 3.099 -4.544 1.00 10.00 C ATOM 242 CG1 VAL A 17 -16.377 3.017 -3.250 1.00 10.00 C ATOM 243 CG2 VAL A 17 -14.724 4.394 -4.485 1.00 10.00 C ATOM 0 H VAL A 17 -14.547 1.677 -6.816 1.00 10.00 H new ATOM 0 HA VAL A 17 -13.972 1.847 -3.899 1.00 10.00 H new ATOM 0 HB VAL A 17 -16.215 3.119 -5.408 1.00 10.00 H new ATOM 0 HG11 VAL A 17 -16.988 3.914 -3.151 1.00 10.00 H new ATOM 0 HG12 VAL A 17 -17.024 2.140 -3.286 1.00 10.00 H new ATOM 0 HG13 VAL A 17 -15.707 2.938 -2.394 1.00 10.00 H new ATOM 0 HG21 VAL A 17 -15.391 5.245 -4.342 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -14.022 4.340 -3.653 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -14.173 4.517 -5.418 1.00 10.00 H new ATOM 253 N LEU A 18 -15.370 -0.258 -3.732 1.00 10.00 N ATOM 254 CA LEU A 18 -16.015 -1.563 -3.619 1.00 10.00 C ATOM 255 C LEU A 18 -16.198 -1.845 -2.131 1.00 10.00 C ATOM 256 O LEU A 18 -15.329 -1.486 -1.333 1.00 10.00 O ATOM 257 CB LEU A 18 -15.129 -2.634 -4.294 1.00 10.00 C ATOM 258 CG LEU A 18 -15.600 -4.094 -4.138 1.00 10.00 C ATOM 259 CD1 LEU A 18 -16.933 -4.349 -4.852 1.00 10.00 C ATOM 260 CD2 LEU A 18 -14.537 -5.040 -4.708 1.00 10.00 C ATOM 0 H LEU A 18 -14.821 -0.015 -2.907 1.00 10.00 H new ATOM 0 HA LEU A 18 -16.984 -1.580 -4.118 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -15.063 -2.406 -5.358 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -14.121 -2.552 -3.888 1.00 10.00 H new ATOM 0 HG LEU A 18 -15.747 -4.279 -3.074 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -17.226 -5.390 -4.715 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -17.700 -3.698 -4.433 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -16.822 -4.140 -5.916 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -14.871 -6.072 -4.597 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -14.383 -4.820 -5.764 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -13.600 -4.902 -4.168 1.00 10.00 H new ATOM 272 N ASP A 19 -17.305 -2.494 -1.763 1.00 10.00 N ATOM 273 CA ASP A 19 -17.669 -2.845 -0.385 1.00 10.00 C ATOM 274 C ASP A 19 -17.468 -1.674 0.591 1.00 10.00 C ATOM 275 O ASP A 19 -16.848 -1.802 1.649 1.00 10.00 O ATOM 276 CB ASP A 19 -16.971 -4.147 0.046 1.00 10.00 C ATOM 277 CG ASP A 19 -17.463 -4.647 1.419 1.00 10.00 C ATOM 278 OD1 ASP A 19 -18.688 -4.620 1.685 1.00 10.00 O ATOM 279 OD2 ASP A 19 -16.636 -5.139 2.220 1.00 10.00 O ATOM 0 H ASP A 19 -18.001 -2.802 -2.442 1.00 10.00 H new ATOM 0 HA ASP A 19 -18.740 -3.044 -0.354 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -17.149 -4.918 -0.704 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -15.894 -3.983 0.086 1.00 10.00 H new ATOM 284 N GLY A 20 -17.951 -0.490 0.190 1.00 10.00 N ATOM 285 CA GLY A 20 -17.925 0.724 1.001 1.00 10.00 C ATOM 286 C GLY A 20 -16.511 1.187 1.369 1.00 10.00 C ATOM 287 O GLY A 20 -16.341 1.871 2.382 1.00 10.00 O ATOM 0 H GLY A 20 -18.378 -0.352 -0.726 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -18.430 1.523 0.459 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -18.491 0.552 1.916 1.00 10.00 H new ATOM 291 N THR A 21 -15.505 0.816 0.576 1.00 10.00 N ATOM 292 CA THR A 21 -14.093 1.044 0.853 1.00 10.00 C ATOM 293 C THR A 21 -13.452 1.591 -0.430 1.00 10.00 C ATOM 294 O THR A 21 -13.892 1.254 -1.534 1.00 10.00 O ATOM 295 CB THR A 21 -13.480 -0.296 1.324 1.00 10.00 C ATOM 296 OG1 THR A 21 -14.239 -0.869 2.376 1.00 10.00 O ATOM 297 CG2 THR A 21 -12.042 -0.157 1.834 1.00 10.00 C ATOM 0 H THR A 21 -15.661 0.331 -0.308 1.00 10.00 H new ATOM 0 HA THR A 21 -13.923 1.774 1.644 1.00 10.00 H new ATOM 0 HB THR A 21 -13.488 -0.932 0.439 1.00 10.00 H new ATOM 0 HG1 THR A 21 -15.078 -1.227 2.017 1.00 10.00 H new ATOM 0 HG21 THR A 21 -11.672 -1.133 2.149 1.00 10.00 H new ATOM 0 HG22 THR A 21 -11.409 0.231 1.036 1.00 10.00 H new ATOM 0 HG23 THR A 21 -12.021 0.529 2.681 1.00 10.00 H new ATOM 305 N LYS A 22 -12.441 2.460 -0.304 1.00 10.00 N ATOM 306 CA LYS A 22 -11.659 2.959 -1.440 1.00 10.00 C ATOM 307 C LYS A 22 -10.574 1.931 -1.774 1.00 10.00 C ATOM 308 O LYS A 22 -10.018 1.301 -0.872 1.00 10.00 O ATOM 309 CB LYS A 22 -11.053 4.331 -1.073 1.00 10.00 C ATOM 310 CG LYS A 22 -10.211 5.001 -2.178 1.00 10.00 C ATOM 311 CD LYS A 22 -11.029 5.435 -3.404 1.00 10.00 C ATOM 312 CE LYS A 22 -10.089 5.816 -4.557 1.00 10.00 C ATOM 313 NZ LYS A 22 -10.824 6.188 -5.795 1.00 10.00 N ATOM 0 H LYS A 22 -12.142 2.838 0.595 1.00 10.00 H new ATOM 0 HA LYS A 22 -12.288 3.095 -2.320 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -11.864 5.006 -0.799 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -10.428 4.208 -0.188 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -9.709 5.874 -1.760 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -9.433 4.309 -2.499 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -11.690 4.626 -3.715 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -11.663 6.283 -3.146 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -9.460 6.651 -4.247 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -9.425 4.979 -4.771 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -10.188 6.106 -6.614 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -11.636 5.550 -5.922 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -11.163 7.168 -5.716 1.00 10.00 H new ATOM 327 N TRP A 23 -10.239 1.805 -3.055 1.00 10.00 N ATOM 328 CA TRP A 23 -9.271 0.854 -3.586 1.00 10.00 C ATOM 329 C TRP A 23 -8.364 1.643 -4.545 1.00 10.00 C ATOM 330 O TRP A 23 -8.864 2.529 -5.240 1.00 10.00 O ATOM 331 CB TRP A 23 -10.065 -0.288 -4.256 1.00 10.00 C ATOM 332 CG TRP A 23 -10.874 -1.144 -3.322 1.00 10.00 C ATOM 333 CD1 TRP A 23 -12.101 -0.819 -2.872 1.00 10.00 C ATOM 334 CD2 TRP A 23 -10.574 -2.444 -2.711 1.00 10.00 C ATOM 335 NE1 TRP A 23 -12.555 -1.767 -1.986 1.00 10.00 N ATOM 336 CE2 TRP A 23 -11.663 -2.808 -1.857 1.00 10.00 C ATOM 337 CE3 TRP A 23 -9.508 -3.368 -2.792 1.00 10.00 C ATOM 338 CZ2 TRP A 23 -11.681 -4.004 -1.121 1.00 10.00 C ATOM 339 CZ3 TRP A 23 -9.511 -4.570 -2.058 1.00 10.00 C ATOM 340 CH2 TRP A 23 -10.594 -4.889 -1.221 1.00 10.00 C ATOM 0 H TRP A 23 -10.654 2.389 -3.781 1.00 10.00 H new ATOM 0 HA TRP A 23 -8.632 0.392 -2.834 1.00 10.00 H new ATOM 0 HB2 TRP A 23 -10.736 0.145 -4.998 1.00 10.00 H new ATOM 0 HB3 TRP A 23 -9.365 -0.928 -4.794 1.00 10.00 H new ATOM 0 HD1 TRP A 23 -12.651 0.063 -3.166 1.00 10.00 H new ATOM 0 HE1 TRP A 23 -13.442 -1.707 -1.486 1.00 10.00 H new ATOM 0 HE3 TRP A 23 -8.668 -3.147 -3.434 1.00 10.00 H new ATOM 0 HZ2 TRP A 23 -12.521 -4.241 -0.485 1.00 10.00 H new ATOM 0 HZ3 TRP A 23 -8.676 -5.251 -2.139 1.00 10.00 H new ATOM 0 HH2 TRP A 23 -10.591 -5.810 -0.657 1.00 10.00 H new ATOM 351 N ILE A 24 -7.049 1.393 -4.570 1.00 10.00 N ATOM 352 CA ILE A 24 -6.055 2.225 -5.258 1.00 10.00 C ATOM 353 C ILE A 24 -4.800 1.414 -5.654 1.00 10.00 C ATOM 354 O ILE A 24 -4.520 0.351 -5.101 1.00 10.00 O ATOM 355 CB ILE A 24 -5.746 3.459 -4.367 1.00 10.00 C ATOM 356 CG1 ILE A 24 -4.910 4.520 -5.117 1.00 10.00 C ATOM 357 CG2 ILE A 24 -5.099 3.069 -3.023 1.00 10.00 C ATOM 358 CD1 ILE A 24 -4.909 5.896 -4.440 1.00 10.00 C ATOM 0 H ILE A 24 -6.637 0.587 -4.101 1.00 10.00 H new ATOM 0 HA ILE A 24 -6.457 2.583 -6.206 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.708 3.914 -4.130 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -3.883 4.166 -5.202 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.297 4.624 -6.131 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -4.904 3.968 -2.439 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -5.774 2.416 -2.470 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -4.161 2.546 -3.209 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -4.302 6.588 -5.023 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -5.930 6.272 -4.379 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -4.494 5.807 -3.436 1.00 10.00 H new ATOM 370 N PHE A 25 -4.050 1.912 -6.642 1.00 10.00 N ATOM 371 CA PHE A 25 -2.740 1.414 -7.064 1.00 10.00 C ATOM 372 C PHE A 25 -1.720 1.377 -5.912 1.00 10.00 C ATOM 373 O PHE A 25 -1.826 2.153 -4.958 1.00 10.00 O ATOM 374 CB PHE A 25 -2.250 2.316 -8.212 1.00 10.00 C ATOM 375 CG PHE A 25 -0.844 2.040 -8.714 1.00 10.00 C ATOM 376 CD1 PHE A 25 -0.560 0.846 -9.401 1.00 10.00 C ATOM 377 CD2 PHE A 25 0.190 2.971 -8.487 1.00 10.00 C ATOM 378 CE1 PHE A 25 0.737 0.587 -9.870 1.00 10.00 C ATOM 379 CE2 PHE A 25 1.490 2.711 -8.957 1.00 10.00 C ATOM 380 CZ PHE A 25 1.764 1.522 -9.654 1.00 10.00 C ATOM 0 H PHE A 25 -4.356 2.712 -7.195 1.00 10.00 H new ATOM 0 HA PHE A 25 -2.838 0.381 -7.398 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -2.941 2.215 -9.049 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.300 3.353 -7.881 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.345 0.124 -9.569 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -0.016 3.886 -7.951 1.00 10.00 H new ATOM 0 HE1 PHE A 25 0.946 -0.332 -10.398 1.00 10.00 H new ATOM 0 HE2 PHE A 25 2.279 3.427 -8.782 1.00 10.00 H new ATOM 0 HZ PHE A 25 2.760 1.327 -10.022 1.00 10.00 H new ATOM 390 N LYS A 26 -0.690 0.523 -6.040 1.00 10.00 N ATOM 391 CA LYS A 26 0.475 0.518 -5.151 1.00 10.00 C ATOM 392 C LYS A 26 1.751 0.315 -5.985 1.00 10.00 C ATOM 393 O LYS A 26 2.547 1.256 -6.038 1.00 10.00 O ATOM 394 CB LYS A 26 0.259 -0.504 -4.014 1.00 10.00 C ATOM 395 CG LYS A 26 1.145 -0.327 -2.769 1.00 10.00 C ATOM 396 CD LYS A 26 2.630 -0.648 -3.003 1.00 10.00 C ATOM 397 CE LYS A 26 3.416 -0.835 -1.696 1.00 10.00 C ATOM 398 NZ LYS A 26 3.530 0.412 -0.895 1.00 10.00 N ATOM 0 H LYS A 26 -0.646 -0.187 -6.771 1.00 10.00 H new ATOM 0 HA LYS A 26 0.603 1.478 -4.650 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -0.784 -0.456 -3.702 1.00 10.00 H new ATOM 0 HB3 LYS A 26 0.426 -1.504 -4.415 1.00 10.00 H new ATOM 0 HG2 LYS A 26 1.058 0.701 -2.418 1.00 10.00 H new ATOM 0 HG3 LYS A 26 0.767 -0.969 -1.973 1.00 10.00 H new ATOM 0 HD2 LYS A 26 2.710 -1.555 -3.602 1.00 10.00 H new ATOM 0 HD3 LYS A 26 3.083 0.157 -3.581 1.00 10.00 H new ATOM 0 HE2 LYS A 26 2.929 -1.602 -1.094 1.00 10.00 H new ATOM 0 HE3 LYS A 26 4.416 -1.201 -1.930 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 4.070 0.219 -0.027 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 4.020 1.140 -1.453 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 2.580 0.751 -0.643 1.00 10.00 H new ATOM 412 N SER A 27 1.922 -0.812 -6.689 1.00 10.00 N ATOM 413 CA SER A 27 3.092 -1.078 -7.536 1.00 10.00 C ATOM 414 C SER A 27 2.735 -2.024 -8.691 1.00 10.00 C ATOM 415 O SER A 27 1.912 -2.921 -8.525 1.00 10.00 O ATOM 416 CB SER A 27 4.205 -1.747 -6.711 1.00 10.00 C ATOM 417 OG SER A 27 4.587 -0.979 -5.583 1.00 10.00 O ATOM 0 H SER A 27 1.243 -1.574 -6.686 1.00 10.00 H new ATOM 0 HA SER A 27 3.429 -0.120 -7.933 1.00 10.00 H new ATOM 0 HB2 SER A 27 3.866 -2.728 -6.379 1.00 10.00 H new ATOM 0 HB3 SER A 27 5.075 -1.909 -7.347 1.00 10.00 H new ATOM 0 HG SER A 27 5.294 -1.448 -5.093 1.00 10.00 H new ATOM 423 N LYS A 28 3.421 -1.904 -9.836 1.00 10.00 N ATOM 424 CA LYS A 28 3.371 -2.892 -10.920 1.00 10.00 C ATOM 425 C LYS A 28 4.739 -2.984 -11.591 1.00 10.00 C ATOM 426 O LYS A 28 5.510 -2.022 -11.536 1.00 10.00 O ATOM 427 CB LYS A 28 2.259 -2.562 -11.937 1.00 10.00 C ATOM 428 CG LYS A 28 2.505 -1.284 -12.764 1.00 10.00 C ATOM 429 CD LYS A 28 1.364 -1.039 -13.766 1.00 10.00 C ATOM 430 CE LYS A 28 1.664 0.106 -14.749 1.00 10.00 C ATOM 431 NZ LYS A 28 1.765 1.442 -14.102 1.00 10.00 N ATOM 0 H LYS A 28 4.031 -1.111 -10.036 1.00 10.00 H new ATOM 0 HA LYS A 28 3.124 -3.865 -10.496 1.00 10.00 H new ATOM 0 HB2 LYS A 28 2.147 -3.405 -12.619 1.00 10.00 H new ATOM 0 HB3 LYS A 28 1.315 -2.457 -11.402 1.00 10.00 H new ATOM 0 HG2 LYS A 28 2.595 -0.428 -12.096 1.00 10.00 H new ATOM 0 HG3 LYS A 28 3.450 -1.371 -13.300 1.00 10.00 H new ATOM 0 HD2 LYS A 28 1.179 -1.954 -14.328 1.00 10.00 H new ATOM 0 HD3 LYS A 28 0.450 -0.810 -13.218 1.00 10.00 H new ATOM 0 HE2 LYS A 28 2.599 -0.108 -15.267 1.00 10.00 H new ATOM 0 HE3 LYS A 28 0.880 0.137 -15.506 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 1.968 2.163 -14.824 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 0.866 1.668 -13.630 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 2.531 1.430 -13.399 1.00 10.00 H new ATOM 445 N TYR A 29 5.024 -4.109 -12.247 1.00 10.00 N ATOM 446 CA TYR A 29 6.187 -4.304 -13.104 1.00 10.00 C ATOM 447 C TYR A 29 5.868 -5.402 -14.123 1.00 10.00 C ATOM 448 O TYR A 29 4.946 -6.197 -13.917 1.00 10.00 O ATOM 449 CB TYR A 29 7.432 -4.659 -12.268 1.00 10.00 C ATOM 450 CG TYR A 29 7.433 -6.024 -11.595 1.00 10.00 C ATOM 451 CD1 TYR A 29 6.700 -6.239 -10.410 1.00 10.00 C ATOM 452 CD2 TYR A 29 8.212 -7.070 -12.129 1.00 10.00 C ATOM 453 CE1 TYR A 29 6.741 -7.487 -9.762 1.00 10.00 C ATOM 454 CE2 TYR A 29 8.264 -8.317 -11.484 1.00 10.00 C ATOM 455 CZ TYR A 29 7.526 -8.535 -10.299 1.00 10.00 C ATOM 456 OH TYR A 29 7.592 -9.748 -9.682 1.00 10.00 O ATOM 0 H TYR A 29 4.429 -4.936 -12.193 1.00 10.00 H new ATOM 0 HA TYR A 29 6.413 -3.378 -13.633 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.306 -4.598 -12.916 1.00 10.00 H new ATOM 0 HB3 TYR A 29 7.553 -3.898 -11.497 1.00 10.00 H new ATOM 0 HD1 TYR A 29 6.103 -5.440 -9.997 1.00 10.00 H new ATOM 0 HD2 TYR A 29 8.772 -6.912 -13.039 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.174 -7.645 -8.856 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.870 -9.111 -11.895 1.00 10.00 H new ATOM 0 HH TYR A 29 8.178 -10.344 -10.194 1.00 10.00 H new ATOM 466 N TYR A 30 6.624 -5.460 -15.220 1.00 10.00 N ATOM 467 CA TYR A 30 6.525 -6.543 -16.186 1.00 10.00 C ATOM 468 C TYR A 30 7.579 -7.577 -15.805 1.00 10.00 C ATOM 469 O TYR A 30 8.775 -7.273 -15.808 1.00 10.00 O ATOM 470 CB TYR A 30 6.723 -6.002 -17.606 1.00 10.00 C ATOM 471 CG TYR A 30 6.476 -7.036 -18.687 1.00 10.00 C ATOM 472 CD1 TYR A 30 5.158 -7.323 -19.087 1.00 10.00 C ATOM 473 CD2 TYR A 30 7.556 -7.698 -19.303 1.00 10.00 C ATOM 474 CE1 TYR A 30 4.911 -8.239 -20.124 1.00 10.00 C ATOM 475 CE2 TYR A 30 7.319 -8.618 -20.341 1.00 10.00 C ATOM 476 CZ TYR A 30 5.995 -8.880 -20.766 1.00 10.00 C ATOM 477 OH TYR A 30 5.783 -9.745 -21.797 1.00 10.00 O ATOM 0 H TYR A 30 7.321 -4.755 -15.460 1.00 10.00 H new ATOM 0 HA TYR A 30 5.539 -7.008 -16.172 1.00 10.00 H new ATOM 0 HB2 TYR A 30 6.051 -5.158 -17.762 1.00 10.00 H new ATOM 0 HB3 TYR A 30 7.740 -5.622 -17.703 1.00 10.00 H new ATOM 0 HD1 TYR A 30 4.330 -6.836 -18.594 1.00 10.00 H new ATOM 0 HD2 TYR A 30 8.567 -7.499 -18.978 1.00 10.00 H new ATOM 0 HE1 TYR A 30 3.897 -8.452 -20.429 1.00 10.00 H new ATOM 0 HE2 TYR A 30 8.148 -9.124 -20.813 1.00 10.00 H new ATOM 0 HH TYR A 30 6.643 -10.090 -22.117 1.00 10.00 H new ATOM 487 N ASP A 31 7.148 -8.781 -15.432 1.00 10.00 N ATOM 488 CA ASP A 31 8.049 -9.875 -15.103 1.00 10.00 C ATOM 489 C ASP A 31 8.436 -10.592 -16.389 1.00 10.00 C ATOM 490 O ASP A 31 7.793 -11.559 -16.807 1.00 10.00 O ATOM 491 CB ASP A 31 7.445 -10.855 -14.094 1.00 10.00 C ATOM 492 CG ASP A 31 8.426 -12.005 -13.806 1.00 10.00 C ATOM 493 OD1 ASP A 31 9.652 -11.826 -14.001 1.00 10.00 O ATOM 494 OD2 ASP A 31 7.973 -13.083 -13.361 1.00 10.00 O ATOM 0 H ASP A 31 6.160 -9.022 -15.350 1.00 10.00 H new ATOM 0 HA ASP A 31 8.934 -9.457 -14.623 1.00 10.00 H new ATOM 0 HB2 ASP A 31 7.207 -10.332 -13.168 1.00 10.00 H new ATOM 0 HB3 ASP A 31 6.509 -11.256 -14.483 1.00 10.00 H new ATOM 499 N SER A 32 9.490 -10.105 -17.038 1.00 10.00 N ATOM 500 CA SER A 32 10.056 -10.684 -18.247 1.00 10.00 C ATOM 501 C SER A 32 10.506 -12.145 -18.067 1.00 10.00 C ATOM 502 O SER A 32 10.683 -12.844 -19.067 1.00 10.00 O ATOM 503 CB SER A 32 11.199 -9.777 -18.733 1.00 10.00 C ATOM 504 OG SER A 32 11.975 -9.281 -17.648 1.00 10.00 O ATOM 0 H SER A 32 9.987 -9.271 -16.725 1.00 10.00 H new ATOM 0 HA SER A 32 9.277 -10.730 -19.008 1.00 10.00 H new ATOM 0 HB2 SER A 32 11.841 -10.335 -19.415 1.00 10.00 H new ATOM 0 HB3 SER A 32 10.785 -8.941 -19.297 1.00 10.00 H new ATOM 0 HG SER A 32 12.693 -8.710 -17.993 1.00 10.00 H new ATOM 510 N SER A 33 10.645 -12.644 -16.830 1.00 10.00 N ATOM 511 CA SER A 33 10.942 -14.051 -16.563 1.00 10.00 C ATOM 512 C SER A 33 9.797 -14.970 -17.025 1.00 10.00 C ATOM 513 O SER A 33 10.040 -16.141 -17.326 1.00 10.00 O ATOM 514 CB SER A 33 11.219 -14.279 -15.065 1.00 10.00 C ATOM 515 OG SER A 33 11.808 -13.152 -14.444 1.00 10.00 O ATOM 0 H SER A 33 10.553 -12.078 -15.987 1.00 10.00 H new ATOM 0 HA SER A 33 11.836 -14.304 -17.134 1.00 10.00 H new ATOM 0 HB2 SER A 33 10.284 -14.521 -14.559 1.00 10.00 H new ATOM 0 HB3 SER A 33 11.877 -15.140 -14.948 1.00 10.00 H new ATOM 0 HG SER A 33 11.123 -12.657 -13.948 1.00 10.00 H new ATOM 521 N LYS A 34 8.562 -14.450 -17.100 1.00 10.00 N ATOM 522 CA LYS A 34 7.362 -15.203 -17.483 1.00 10.00 C ATOM 523 C LYS A 34 6.562 -14.493 -18.579 1.00 10.00 C ATOM 524 O LYS A 34 5.699 -15.120 -19.195 1.00 10.00 O ATOM 525 CB LYS A 34 6.488 -15.449 -16.241 1.00 10.00 C ATOM 526 CG LYS A 34 7.132 -16.433 -15.250 1.00 10.00 C ATOM 527 CD LYS A 34 6.223 -16.652 -14.036 1.00 10.00 C ATOM 528 CE LYS A 34 6.845 -17.664 -13.068 1.00 10.00 C ATOM 529 NZ LYS A 34 5.985 -17.901 -11.882 1.00 10.00 N ATOM 0 H LYS A 34 8.368 -13.471 -16.891 1.00 10.00 H new ATOM 0 HA LYS A 34 7.682 -16.160 -17.896 1.00 10.00 H new ATOM 0 HB2 LYS A 34 6.304 -14.500 -15.737 1.00 10.00 H new ATOM 0 HB3 LYS A 34 5.519 -15.837 -16.554 1.00 10.00 H new ATOM 0 HG2 LYS A 34 7.320 -17.385 -15.746 1.00 10.00 H new ATOM 0 HG3 LYS A 34 8.098 -16.048 -14.923 1.00 10.00 H new ATOM 0 HD2 LYS A 34 6.059 -15.704 -13.523 1.00 10.00 H new ATOM 0 HD3 LYS A 34 5.247 -17.009 -14.366 1.00 10.00 H new ATOM 0 HE2 LYS A 34 7.013 -18.607 -13.588 1.00 10.00 H new ATOM 0 HE3 LYS A 34 7.820 -17.302 -12.742 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 6.443 -18.592 -11.254 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 5.845 -17.006 -11.370 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 5.063 -18.271 -12.190 1.00 10.00 H new ATOM 543 N GLY A 35 6.860 -13.225 -18.867 1.00 10.00 N ATOM 544 CA GLY A 35 6.253 -12.482 -19.958 1.00 10.00 C ATOM 545 C GLY A 35 4.838 -12.028 -19.607 1.00 10.00 C ATOM 546 O GLY A 35 3.936 -12.160 -20.437 1.00 10.00 O ATOM 0 H GLY A 35 7.542 -12.682 -18.337 1.00 10.00 H new ATOM 0 HA2 GLY A 35 6.867 -11.613 -20.194 1.00 10.00 H new ATOM 0 HA3 GLY A 35 6.225 -13.105 -20.852 1.00 10.00 H new ATOM 550 N TYR A 36 4.623 -11.530 -18.385 1.00 10.00 N ATOM 551 CA TYR A 36 3.342 -10.969 -17.961 1.00 10.00 C ATOM 552 C TYR A 36 3.548 -9.816 -16.977 1.00 10.00 C ATOM 553 O TYR A 36 4.642 -9.651 -16.430 1.00 10.00 O ATOM 554 CB TYR A 36 2.400 -12.067 -17.419 1.00 10.00 C ATOM 555 CG TYR A 36 2.745 -12.880 -16.173 1.00 10.00 C ATOM 556 CD1 TYR A 36 3.940 -12.720 -15.438 1.00 10.00 C ATOM 557 CD2 TYR A 36 1.803 -13.837 -15.742 1.00 10.00 C ATOM 558 CE1 TYR A 36 4.177 -13.491 -14.286 1.00 10.00 C ATOM 559 CE2 TYR A 36 2.039 -14.623 -14.601 1.00 10.00 C ATOM 560 CZ TYR A 36 3.231 -14.450 -13.862 1.00 10.00 C ATOM 561 OH TYR A 36 3.480 -15.199 -12.751 1.00 10.00 O ATOM 0 H TYR A 36 5.340 -11.506 -17.660 1.00 10.00 H new ATOM 0 HA TYR A 36 2.844 -10.546 -18.834 1.00 10.00 H new ATOM 0 HB2 TYR A 36 1.438 -11.591 -17.229 1.00 10.00 H new ATOM 0 HB3 TYR A 36 2.248 -12.780 -18.229 1.00 10.00 H new ATOM 0 HD1 TYR A 36 4.677 -12.001 -15.763 1.00 10.00 H new ATOM 0 HD2 TYR A 36 0.886 -13.968 -16.297 1.00 10.00 H new ATOM 0 HE1 TYR A 36 5.087 -13.349 -13.723 1.00 10.00 H new ATOM 0 HE2 TYR A 36 1.311 -15.358 -14.290 1.00 10.00 H new ATOM 0 HH TYR A 36 2.731 -15.811 -12.594 1.00 10.00 H new ATOM 571 N TRP A 37 2.515 -9.000 -16.759 1.00 10.00 N ATOM 572 CA TRP A 37 2.549 -7.989 -15.714 1.00 10.00 C ATOM 573 C TRP A 37 2.281 -8.658 -14.372 1.00 10.00 C ATOM 574 O TRP A 37 1.547 -9.646 -14.293 1.00 10.00 O ATOM 575 CB TRP A 37 1.526 -6.885 -15.998 1.00 10.00 C ATOM 576 CG TRP A 37 1.946 -5.923 -17.067 1.00 10.00 C ATOM 577 CD1 TRP A 37 1.696 -6.041 -18.391 1.00 10.00 C ATOM 578 CD2 TRP A 37 2.721 -4.695 -16.919 1.00 10.00 C ATOM 579 NE1 TRP A 37 2.251 -4.973 -19.066 1.00 10.00 N ATOM 580 CE2 TRP A 37 2.914 -4.119 -18.210 1.00 10.00 C ATOM 581 CE3 TRP A 37 3.292 -4.016 -15.820 1.00 10.00 C ATOM 582 CZ2 TRP A 37 3.645 -2.935 -18.400 1.00 10.00 C ATOM 583 CZ3 TRP A 37 4.038 -2.835 -16.002 1.00 10.00 C ATOM 584 CH2 TRP A 37 4.214 -2.294 -17.287 1.00 10.00 C ATOM 0 H TRP A 37 1.647 -9.024 -17.295 1.00 10.00 H new ATOM 0 HA TRP A 37 3.533 -7.520 -15.688 1.00 10.00 H new ATOM 0 HB2 TRP A 37 0.582 -7.345 -16.289 1.00 10.00 H new ATOM 0 HB3 TRP A 37 1.340 -6.331 -15.078 1.00 10.00 H new ATOM 0 HD1 TRP A 37 1.145 -6.849 -18.850 1.00 10.00 H new ATOM 0 HE1 TRP A 37 2.180 -4.833 -20.074 1.00 10.00 H new ATOM 0 HE3 TRP A 37 3.154 -4.409 -14.823 1.00 10.00 H new ATOM 0 HZ2 TRP A 37 3.768 -2.522 -19.390 1.00 10.00 H new ATOM 0 HZ3 TRP A 37 4.478 -2.342 -15.148 1.00 10.00 H new ATOM 0 HH2 TRP A 37 4.786 -1.387 -17.419 1.00 10.00 H new ATOM 595 N VAL A 38 2.845 -8.077 -13.318 1.00 10.00 N ATOM 596 CA VAL A 38 2.736 -8.496 -11.931 1.00 10.00 C ATOM 597 C VAL A 38 2.608 -7.201 -11.117 1.00 10.00 C ATOM 598 O VAL A 38 3.100 -6.152 -11.546 1.00 10.00 O ATOM 599 CB VAL A 38 3.989 -9.316 -11.533 1.00 10.00 C ATOM 600 CG1 VAL A 38 3.869 -9.893 -10.112 1.00 10.00 C ATOM 601 CG2 VAL A 38 4.274 -10.482 -12.497 1.00 10.00 C ATOM 0 H VAL A 38 3.428 -7.246 -13.420 1.00 10.00 H new ATOM 0 HA VAL A 38 1.877 -9.143 -11.751 1.00 10.00 H new ATOM 0 HB VAL A 38 4.815 -8.606 -11.581 1.00 10.00 H new ATOM 0 HG11 VAL A 38 4.768 -10.461 -9.873 1.00 10.00 H new ATOM 0 HG12 VAL A 38 3.753 -9.078 -9.397 1.00 10.00 H new ATOM 0 HG13 VAL A 38 3.000 -10.549 -10.058 1.00 10.00 H new ATOM 0 HG21 VAL A 38 5.163 -11.019 -12.166 1.00 10.00 H new ATOM 0 HG22 VAL A 38 3.422 -11.162 -12.507 1.00 10.00 H new ATOM 0 HG23 VAL A 38 4.439 -10.092 -13.501 1.00 10.00 H new ATOM 611 N GLY A 39 1.967 -7.237 -9.948 1.00 10.00 N ATOM 612 CA GLY A 39 1.877 -6.061 -9.103 1.00 10.00 C ATOM 613 C GLY A 39 1.431 -6.368 -7.684 1.00 10.00 C ATOM 614 O GLY A 39 0.876 -7.432 -7.388 1.00 10.00 O ATOM 0 H GLY A 39 1.507 -8.066 -9.572 1.00 10.00 H new ATOM 0 HA2 GLY A 39 2.850 -5.570 -9.072 1.00 10.00 H new ATOM 0 HA3 GLY A 39 1.178 -5.354 -9.550 1.00 10.00 H new ATOM 618 N ILE A 40 1.672 -5.382 -6.824 1.00 10.00 N ATOM 619 CA ILE A 40 1.159 -5.286 -5.469 1.00 10.00 C ATOM 620 C ILE A 40 0.062 -4.243 -5.624 1.00 10.00 C ATOM 621 O ILE A 40 0.335 -3.158 -6.142 1.00 10.00 O ATOM 622 CB ILE A 40 2.257 -4.792 -4.492 1.00 10.00 C ATOM 623 CG1 ILE A 40 3.624 -5.500 -4.632 1.00 10.00 C ATOM 624 CG2 ILE A 40 1.746 -4.871 -3.044 1.00 10.00 C ATOM 625 CD1 ILE A 40 3.604 -7.018 -4.429 1.00 10.00 C ATOM 0 H ILE A 40 2.263 -4.588 -7.071 1.00 10.00 H new ATOM 0 HA ILE A 40 0.814 -6.235 -5.059 1.00 10.00 H new ATOM 0 HB ILE A 40 2.452 -3.756 -4.769 1.00 10.00 H new ATOM 0 HG12 ILE A 40 4.023 -5.289 -5.624 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.315 -5.064 -3.911 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.523 -4.522 -2.364 1.00 10.00 H new ATOM 0 HG22 ILE A 40 0.861 -4.244 -2.936 1.00 10.00 H new ATOM 0 HG23 ILE A 40 1.491 -5.903 -2.804 1.00 10.00 H new ATOM 0 HD11 ILE A 40 4.612 -7.414 -4.549 1.00 10.00 H new ATOM 0 HD12 ILE A 40 3.241 -7.246 -3.427 1.00 10.00 H new ATOM 0 HD13 ILE A 40 2.944 -7.475 -5.167 1.00 10.00 H new ATOM 637 N TYR A 41 -1.172 -4.550 -5.248 1.00 10.00 N ATOM 638 CA TYR A 41 -2.293 -3.739 -5.690 1.00 10.00 C ATOM 639 C TYR A 41 -3.325 -3.694 -4.586 1.00 10.00 C ATOM 640 O TYR A 41 -3.592 -4.712 -3.958 1.00 10.00 O ATOM 641 CB TYR A 41 -2.875 -4.354 -6.979 1.00 10.00 C ATOM 642 CG TYR A 41 -2.883 -3.417 -8.169 1.00 10.00 C ATOM 643 CD1 TYR A 41 -3.580 -2.198 -8.090 1.00 10.00 C ATOM 644 CD2 TYR A 41 -2.223 -3.768 -9.363 1.00 10.00 C ATOM 645 CE1 TYR A 41 -3.649 -1.349 -9.207 1.00 10.00 C ATOM 646 CE2 TYR A 41 -2.298 -2.927 -10.490 1.00 10.00 C ATOM 647 CZ TYR A 41 -3.020 -1.717 -10.412 1.00 10.00 C ATOM 648 OH TYR A 41 -3.079 -0.877 -11.478 1.00 10.00 O ATOM 0 H TYR A 41 -1.418 -5.339 -4.650 1.00 10.00 H new ATOM 0 HA TYR A 41 -1.976 -2.719 -5.909 1.00 10.00 H new ATOM 0 HB2 TYR A 41 -2.299 -5.243 -7.235 1.00 10.00 H new ATOM 0 HB3 TYR A 41 -3.896 -4.681 -6.782 1.00 10.00 H new ATOM 0 HD1 TYR A 41 -4.064 -1.914 -7.167 1.00 10.00 H new ATOM 0 HD2 TYR A 41 -1.657 -4.686 -9.414 1.00 10.00 H new ATOM 0 HE1 TYR A 41 -4.185 -0.414 -9.142 1.00 10.00 H new ATOM 0 HE2 TYR A 41 -1.805 -3.207 -11.410 1.00 10.00 H new ATOM 0 HH TYR A 41 -2.363 -0.211 -11.410 1.00 10.00 H new ATOM 658 N GLU A 42 -3.975 -2.554 -4.388 1.00 10.00 N ATOM 659 CA GLU A 42 -5.139 -2.447 -3.524 1.00 10.00 C ATOM 660 C GLU A 42 -6.340 -2.074 -4.396 1.00 10.00 C ATOM 661 O GLU A 42 -7.182 -1.310 -3.953 1.00 10.00 O ATOM 662 CB GLU A 42 -4.846 -1.485 -2.350 1.00 10.00 C ATOM 663 CG GLU A 42 -5.828 -1.674 -1.182 1.00 10.00 C ATOM 664 CD GLU A 42 -5.310 -1.064 0.131 1.00 10.00 C ATOM 665 OE1 GLU A 42 -5.037 0.157 0.193 1.00 10.00 O ATOM 666 OE2 GLU A 42 -5.215 -1.813 1.131 1.00 10.00 O ATOM 0 H GLU A 42 -3.706 -1.673 -4.826 1.00 10.00 H new ATOM 0 HA GLU A 42 -5.384 -3.393 -3.041 1.00 10.00 H new ATOM 0 HB2 GLU A 42 -3.828 -1.647 -1.996 1.00 10.00 H new ATOM 0 HB3 GLU A 42 -4.900 -0.456 -2.704 1.00 10.00 H new ATOM 0 HG2 GLU A 42 -6.784 -1.217 -1.438 1.00 10.00 H new ATOM 0 HG3 GLU A 42 -6.012 -2.738 -1.036 1.00 10.00 H new ATOM 673 N VAL A 43 -6.423 -2.581 -5.639 1.00 10.00 N ATOM 674 CA VAL A 43 -7.636 -2.498 -6.460 1.00 10.00 C ATOM 675 C VAL A 43 -7.716 -3.630 -7.492 1.00 10.00 C ATOM 676 O VAL A 43 -8.768 -4.264 -7.592 1.00 10.00 O ATOM 677 CB VAL A 43 -7.809 -1.097 -7.105 1.00 10.00 C ATOM 678 CG1 VAL A 43 -6.634 -0.587 -7.939 1.00 10.00 C ATOM 679 CG2 VAL A 43 -9.075 -1.013 -7.961 1.00 10.00 C ATOM 0 H VAL A 43 -5.649 -3.059 -6.099 1.00 10.00 H new ATOM 0 HA VAL A 43 -8.481 -2.636 -5.786 1.00 10.00 H new ATOM 0 HB VAL A 43 -7.876 -0.447 -6.233 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -6.872 0.399 -8.337 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -5.745 -0.521 -7.312 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -6.447 -1.275 -8.763 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -9.157 -0.016 -8.393 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -9.023 -1.752 -8.761 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -9.948 -1.212 -7.340 1.00 10.00 H new ATOM 689 N TRP A 44 -6.650 -3.885 -8.266 1.00 10.00 N ATOM 690 CA TRP A 44 -6.736 -4.821 -9.385 1.00 10.00 C ATOM 691 C TRP A 44 -6.952 -6.254 -8.877 1.00 10.00 C ATOM 692 O TRP A 44 -6.588 -6.588 -7.746 1.00 10.00 O ATOM 693 CB TRP A 44 -5.501 -4.694 -10.294 1.00 10.00 C ATOM 694 CG TRP A 44 -5.574 -5.397 -11.622 1.00 10.00 C ATOM 695 CD1 TRP A 44 -6.690 -5.566 -12.367 1.00 10.00 C ATOM 696 CD2 TRP A 44 -4.495 -5.999 -12.407 1.00 10.00 C ATOM 697 NE1 TRP A 44 -6.398 -6.307 -13.487 1.00 10.00 N ATOM 698 CE2 TRP A 44 -5.054 -6.591 -13.580 1.00 10.00 C ATOM 699 CE3 TRP A 44 -3.097 -6.113 -12.245 1.00 10.00 C ATOM 700 CZ2 TRP A 44 -4.274 -7.274 -14.526 1.00 10.00 C ATOM 701 CZ3 TRP A 44 -2.299 -6.787 -13.190 1.00 10.00 C ATOM 702 CH2 TRP A 44 -2.884 -7.370 -14.327 1.00 10.00 C ATOM 0 H TRP A 44 -5.732 -3.460 -8.136 1.00 10.00 H new ATOM 0 HA TRP A 44 -7.604 -4.568 -9.994 1.00 10.00 H new ATOM 0 HB2 TRP A 44 -5.319 -3.635 -10.477 1.00 10.00 H new ATOM 0 HB3 TRP A 44 -4.636 -5.077 -9.752 1.00 10.00 H new ATOM 0 HD1 TRP A 44 -7.666 -5.176 -12.119 1.00 10.00 H new ATOM 0 HE1 TRP A 44 -7.094 -6.610 -14.168 1.00 10.00 H new ATOM 0 HE3 TRP A 44 -2.629 -5.673 -11.377 1.00 10.00 H new ATOM 0 HZ2 TRP A 44 -4.734 -7.720 -15.395 1.00 10.00 H new ATOM 0 HZ3 TRP A 44 -1.232 -6.856 -13.040 1.00 10.00 H new ATOM 0 HH2 TRP A 44 -2.269 -7.890 -15.046 1.00 10.00 H new