USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 462 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 17 ASN : amide:sc= -0.0149 K(o=-0.015,f=-0.79) USER MOD Set 1.2: A 20 GLN :FLIP amide:sc= 0 F(o=-0.53,f=-0.015) USER MOD Single : A 2 ASN : amide:sc= -0.993 X(o=-0.99,f=-0.69) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0763 K(o=-0.076,f=-1.2!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -3 HIS :FLIP no HE2:sc= -0.421 F(o=-1.5,f=-0.42) USER MOD Single : A -5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl -156:sc= -2.4 (180deg=-3.4) USER MOD Single : A -9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 47:sc= 0.00428 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= -0.0754 (180deg=-0.626) USER MOD Single : A 15 SER OG : rot -136:sc= -0.276 USER MOD Single : A 23 GLN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 75:sc= 0.0471 USER MOD Single : A 31 ASN : amide:sc= -0.0459 X(o=-0.046,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.506 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 57:sc= 0.165 USER MOD Single : A -11 ASN : amide:sc= 0.108 X(o=0.11,f=-0.025) USER MOD Single : A -14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -16 SER OG : rot 3:sc= -0.463 USER MOD Single : A -17 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.4!) USER MOD Single : A -18 MET CE :methyl -111:sc= -0.278 (180deg=-2.47!) USER MOD Single : A -18 MET N :NH3+ 154:sc= 0 (180deg=-0.276) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 20.387 22.805 8.677 1.00 0.00 N ATOM 2 CA MET A -18 19.061 23.476 8.707 1.00 0.00 C ATOM 3 C MET A -18 17.949 22.522 8.283 1.00 0.00 C ATOM 4 O MET A -18 17.530 22.517 7.125 1.00 0.00 O ATOM 5 CB MET A -18 19.106 24.687 7.770 1.00 0.00 C ATOM 6 CG MET A -18 19.346 26.004 8.490 1.00 0.00 C ATOM 7 SD MET A -18 21.069 26.531 8.418 1.00 0.00 S ATOM 8 CE MET A -18 21.720 25.761 9.898 1.00 0.00 C ATOM 0 H1 MET A -18 21.132 23.515 8.531 1.00 0.00 H new ATOM 0 H2 MET A -18 20.548 22.315 9.580 1.00 0.00 H new ATOM 0 H3 MET A -18 20.409 22.115 7.899 1.00 0.00 H new ATOM 0 HA MET A -18 18.845 23.797 9.726 1.00 0.00 H new ATOM 0 HB2 MET A -18 19.895 24.536 7.033 1.00 0.00 H new ATOM 0 HB3 MET A -18 18.165 24.748 7.223 1.00 0.00 H new ATOM 0 HG2 MET A -18 18.715 26.775 8.048 1.00 0.00 H new ATOM 0 HG3 MET A -18 19.044 25.904 9.533 1.00 0.00 H new ATOM 0 HE1 MET A -18 21.966 26.530 10.630 1.00 0.00 H new ATOM 0 HE2 MET A -18 20.973 25.087 10.316 1.00 0.00 H new ATOM 0 HE3 MET A -18 22.619 25.197 9.649 1.00 0.00 H new ATOM 20 N ASN A -17 17.477 21.715 9.228 1.00 0.00 N ATOM 21 CA ASN A -17 16.414 20.755 8.951 1.00 0.00 C ATOM 22 C ASN A -17 15.042 21.388 9.168 1.00 0.00 C ATOM 23 O ASN A -17 14.472 21.302 10.256 1.00 0.00 O ATOM 24 CB ASN A -17 16.566 19.522 9.843 1.00 0.00 C ATOM 25 CG ASN A -17 16.732 19.881 11.307 1.00 0.00 C ATOM 26 OD1 ASN A -17 16.469 21.012 11.714 1.00 0.00 O ATOM 27 ND2 ASN A -17 17.172 18.916 12.107 1.00 0.00 N ATOM 0 H ASN A -17 17.813 21.707 10.191 1.00 0.00 H new ATOM 0 HA ASN A -17 16.495 20.451 7.907 1.00 0.00 H new ATOM 0 HB2 ASN A -17 15.691 18.883 9.726 1.00 0.00 H new ATOM 0 HB3 ASN A -17 17.429 18.944 9.514 1.00 0.00 H new ATOM 0 HD21 ASN A -17 17.304 19.099 13.102 1.00 0.00 H new ATOM 0 HD22 ASN A -17 17.378 17.992 11.726 1.00 0.00 H new ATOM 34 N SER A -16 14.518 22.022 8.124 1.00 0.00 N ATOM 35 CA SER A -16 13.214 22.670 8.200 1.00 0.00 C ATOM 36 C SER A -16 12.093 21.679 7.897 1.00 0.00 C ATOM 37 O SER A -16 12.025 21.114 6.804 1.00 0.00 O ATOM 38 CB SER A -16 13.148 23.845 7.223 1.00 0.00 C ATOM 39 OG SER A -16 13.058 23.391 5.884 1.00 0.00 O ATOM 0 H SER A -16 14.976 22.101 7.216 1.00 0.00 H new ATOM 0 HA SER A -16 13.081 23.042 9.216 1.00 0.00 H new ATOM 0 HB2 SER A -16 12.285 24.469 7.457 1.00 0.00 H new ATOM 0 HB3 SER A -16 14.034 24.469 7.340 1.00 0.00 H new ATOM 0 HG SER A -16 13.007 22.412 5.873 1.00 0.00 H new ATOM 45 N VAL A -15 11.208 21.481 8.867 1.00 0.00 N ATOM 46 CA VAL A -15 10.090 20.561 8.700 1.00 0.00 C ATOM 47 C VAL A -15 8.842 21.309 8.261 1.00 0.00 C ATOM 48 O VAL A -15 7.967 20.749 7.603 1.00 0.00 O ATOM 49 CB VAL A -15 9.787 19.792 10.000 1.00 0.00 C ATOM 50 CG1 VAL A -15 8.777 18.685 9.743 1.00 0.00 C ATOM 51 CG2 VAL A -15 11.067 19.229 10.599 1.00 0.00 C ATOM 0 H VAL A -15 11.243 21.944 9.775 1.00 0.00 H new ATOM 0 HA VAL A -15 10.378 19.844 7.931 1.00 0.00 H new ATOM 0 HB VAL A -15 9.353 20.487 10.719 1.00 0.00 H new ATOM 0 HG11 VAL A -15 8.576 18.153 10.673 1.00 0.00 H new ATOM 0 HG12 VAL A -15 7.851 19.118 9.365 1.00 0.00 H new ATOM 0 HG13 VAL A -15 9.179 17.989 9.007 1.00 0.00 H new ATOM 0 HG21 VAL A -15 10.833 18.689 11.517 1.00 0.00 H new ATOM 0 HG22 VAL A -15 11.533 18.548 9.887 1.00 0.00 H new ATOM 0 HG23 VAL A -15 11.753 20.045 10.824 1.00 0.00 H new ATOM 61 N LYS A -14 8.782 22.589 8.602 1.00 0.00 N ATOM 62 CA LYS A -14 7.659 23.425 8.213 1.00 0.00 C ATOM 63 C LYS A -14 7.877 23.937 6.797 1.00 0.00 C ATOM 64 O LYS A -14 6.933 24.088 6.024 1.00 0.00 O ATOM 65 CB LYS A -14 7.496 24.596 9.184 1.00 0.00 C ATOM 66 CG LYS A -14 6.089 25.169 9.215 1.00 0.00 C ATOM 67 CD LYS A -14 6.088 26.619 9.672 1.00 0.00 C ATOM 68 CE LYS A -14 6.573 27.550 8.572 1.00 0.00 C ATOM 69 NZ LYS A -14 7.147 28.809 9.121 1.00 0.00 N ATOM 0 H LYS A -14 9.498 23.069 9.147 1.00 0.00 H new ATOM 0 HA LYS A -14 6.746 22.831 8.245 1.00 0.00 H new ATOM 0 HB2 LYS A -14 7.767 24.266 10.187 1.00 0.00 H new ATOM 0 HB3 LYS A -14 8.195 25.386 8.908 1.00 0.00 H new ATOM 0 HG2 LYS A -14 5.645 25.099 8.222 1.00 0.00 H new ATOM 0 HG3 LYS A -14 5.468 24.575 9.885 1.00 0.00 H new ATOM 0 HD2 LYS A -14 5.081 26.905 9.975 1.00 0.00 H new ATOM 0 HD3 LYS A -14 6.727 26.726 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A -14 7.326 27.040 7.971 1.00 0.00 H new ATOM 0 HE3 LYS A -14 5.743 27.789 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 7.466 29.415 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 6.422 29.309 9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 7.955 28.583 9.735 1.00 0.00 H new ATOM 83 N GLU A -13 9.141 24.181 6.462 1.00 0.00 N ATOM 84 CA GLU A -13 9.501 24.650 5.139 1.00 0.00 C ATOM 85 C GLU A -13 9.501 23.486 4.162 1.00 0.00 C ATOM 86 O GLU A -13 9.102 23.623 3.006 1.00 0.00 O ATOM 87 CB GLU A -13 10.876 25.325 5.161 1.00 0.00 C ATOM 88 CG GLU A -13 10.923 26.632 4.386 1.00 0.00 C ATOM 89 CD GLU A -13 10.586 27.833 5.249 1.00 0.00 C ATOM 90 OE1 GLU A -13 9.417 27.950 5.674 1.00 0.00 O ATOM 91 OE2 GLU A -13 11.491 28.655 5.501 1.00 0.00 O ATOM 0 H GLU A -13 9.931 24.059 7.095 1.00 0.00 H new ATOM 0 HA GLU A -13 8.765 25.386 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A -13 11.162 25.515 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A -13 11.615 24.639 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A -13 11.918 26.762 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A -13 10.224 26.581 3.551 1.00 0.00 H new ATOM 98 N LEU A -12 9.938 22.331 4.649 1.00 0.00 N ATOM 99 CA LEU A -12 9.978 21.126 3.835 1.00 0.00 C ATOM 100 C LEU A -12 8.572 20.578 3.614 1.00 0.00 C ATOM 101 O LEU A -12 8.310 19.890 2.628 1.00 0.00 O ATOM 102 CB LEU A -12 10.858 20.063 4.497 1.00 0.00 C ATOM 103 CG LEU A -12 11.016 18.767 3.699 1.00 0.00 C ATOM 104 CD1 LEU A -12 12.391 18.161 3.932 1.00 0.00 C ATOM 105 CD2 LEU A -12 9.923 17.776 4.071 1.00 0.00 C ATOM 0 H LEU A -12 10.270 22.205 5.605 1.00 0.00 H new ATOM 0 HA LEU A -12 10.406 21.384 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A -12 11.847 20.488 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A -12 10.438 19.822 5.474 1.00 0.00 H new ATOM 0 HG LEU A -12 10.921 19.001 2.639 1.00 0.00 H new ATOM 0 HD11 LEU A -12 12.485 17.240 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A -12 13.158 18.867 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A -12 12.517 17.941 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A -12 10.051 16.860 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A -12 9.986 17.547 5.135 1.00 0.00 H new ATOM 0 HD23 LEU A -12 8.948 18.210 3.851 1.00 0.00 H new ATOM 117 N ASN A -11 7.670 20.892 4.540 1.00 0.00 N ATOM 118 CA ASN A -11 6.290 20.435 4.446 1.00 0.00 C ATOM 119 C ASN A -11 5.562 21.130 3.300 1.00 0.00 C ATOM 120 O ASN A -11 4.586 20.608 2.761 1.00 0.00 O ATOM 121 CB ASN A -11 5.555 20.686 5.765 1.00 0.00 C ATOM 122 CG ASN A -11 5.230 19.398 6.497 1.00 0.00 C ATOM 123 OD1 ASN A -11 4.063 19.044 6.666 1.00 0.00 O ATOM 124 ND2 ASN A -11 6.264 18.691 6.938 1.00 0.00 N ATOM 0 H ASN A -11 7.871 21.461 5.363 1.00 0.00 H new ATOM 0 HA ASN A -11 6.302 19.364 4.245 1.00 0.00 H new ATOM 0 HB2 ASN A -11 6.168 21.320 6.405 1.00 0.00 H new ATOM 0 HB3 ASN A -11 4.632 21.231 5.566 1.00 0.00 H new ATOM 0 HD21 ASN A -11 6.107 17.817 7.439 1.00 0.00 H new ATOM 0 HD22 ASN A -11 7.215 19.022 6.775 1.00 0.00 H new ATOM 131 N VAL A -10 6.042 22.312 2.935 1.00 0.00 N ATOM 132 CA VAL A -10 5.440 23.084 1.854 1.00 0.00 C ATOM 133 C VAL A -10 5.775 22.480 0.495 1.00 0.00 C ATOM 134 O VAL A -10 4.900 22.309 -0.354 1.00 0.00 O ATOM 135 CB VAL A -10 5.908 24.550 1.882 1.00 0.00 C ATOM 136 CG1 VAL A -10 5.124 25.382 0.880 1.00 0.00 C ATOM 137 CG2 VAL A -10 5.775 25.126 3.284 1.00 0.00 C ATOM 0 H VAL A -10 6.848 22.758 3.372 1.00 0.00 H new ATOM 0 HA VAL A -10 4.361 23.053 2.006 1.00 0.00 H new ATOM 0 HB VAL A -10 6.960 24.581 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A -10 5.470 26.415 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A -10 5.276 24.982 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A -10 4.063 25.346 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A -10 6.110 26.163 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A -10 4.732 25.082 3.598 1.00 0.00 H new ATOM 0 HG23 VAL A -10 6.387 24.546 3.975 1.00 0.00 H new ATOM 147 N LYS A -9 7.049 22.155 0.295 1.00 0.00 N ATOM 148 CA LYS A -9 7.501 21.567 -0.963 1.00 0.00 C ATOM 149 C LYS A -9 6.720 20.295 -1.281 1.00 0.00 C ATOM 150 O LYS A -9 6.394 20.026 -2.437 1.00 0.00 O ATOM 151 CB LYS A -9 8.998 21.258 -0.896 1.00 0.00 C ATOM 152 CG LYS A -9 9.877 22.383 -1.420 1.00 0.00 C ATOM 153 CD LYS A -9 10.461 23.207 -0.285 1.00 0.00 C ATOM 154 CE LYS A -9 9.601 24.423 0.021 1.00 0.00 C ATOM 155 NZ LYS A -9 10.407 25.552 0.562 1.00 0.00 N ATOM 0 H LYS A -9 7.786 22.289 0.987 1.00 0.00 H new ATOM 0 HA LYS A -9 7.322 22.290 -1.759 1.00 0.00 H new ATOM 0 HB2 LYS A -9 9.271 21.047 0.138 1.00 0.00 H new ATOM 0 HB3 LYS A -9 9.200 20.354 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A -9 10.685 21.965 -2.021 1.00 0.00 H new ATOM 0 HG3 LYS A -9 9.292 23.028 -2.076 1.00 0.00 H new ATOM 0 HD2 LYS A -9 10.548 22.588 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A -9 11.468 23.530 -0.549 1.00 0.00 H new ATOM 0 HE2 LYS A -9 9.090 24.744 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A -9 8.830 24.150 0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 9.784 26.361 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 10.874 25.254 1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 11.127 25.830 -0.135 1.00 0.00 H new ATOM 169 N GLU A -8 6.421 19.516 -0.243 1.00 0.00 N ATOM 170 CA GLU A -8 5.677 18.271 -0.408 1.00 0.00 C ATOM 171 C GLU A -8 4.408 18.497 -1.218 1.00 0.00 C ATOM 172 O GLU A -8 4.325 18.119 -2.387 1.00 0.00 O ATOM 173 CB GLU A -8 5.331 17.675 0.960 1.00 0.00 C ATOM 174 CG GLU A -8 4.533 16.383 0.878 1.00 0.00 C ATOM 175 CD GLU A -8 4.335 15.734 2.234 1.00 0.00 C ATOM 176 OE1 GLU A -8 5.344 15.482 2.926 1.00 0.00 O ATOM 177 OE2 GLU A -8 3.170 15.477 2.605 1.00 0.00 O ATOM 0 H GLU A -8 6.683 19.726 0.720 1.00 0.00 H new ATOM 0 HA GLU A -8 6.308 17.568 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU A -8 6.254 17.488 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A -8 4.762 18.408 1.533 1.00 0.00 H new ATOM 0 HG2 GLU A -8 3.560 16.589 0.432 1.00 0.00 H new ATOM 0 HG3 GLU A -8 5.046 15.685 0.216 1.00 0.00 H new ATOM 184 N MET A -7 3.427 19.115 -0.587 1.00 0.00 N ATOM 185 CA MET A -7 2.155 19.399 -1.238 1.00 0.00 C ATOM 186 C MET A -7 2.341 20.377 -2.391 1.00 0.00 C ATOM 187 O MET A -7 1.544 20.388 -3.330 1.00 0.00 O ATOM 188 CB MET A -7 1.149 19.957 -0.229 1.00 0.00 C ATOM 189 CG MET A -7 1.663 21.166 0.538 1.00 0.00 C ATOM 190 SD MET A -7 0.908 22.711 -0.005 1.00 0.00 S ATOM 191 CE MET A -7 2.361 23.715 -0.296 1.00 0.00 C ATOM 0 H MET A -7 3.484 19.433 0.381 1.00 0.00 H new ATOM 0 HA MET A -7 1.766 18.464 -1.640 1.00 0.00 H new ATOM 0 HB2 MET A -7 0.235 20.232 -0.755 1.00 0.00 H new ATOM 0 HB3 MET A -7 0.885 19.172 0.480 1.00 0.00 H new ATOM 0 HG2 MET A -7 1.468 21.026 1.601 1.00 0.00 H new ATOM 0 HG3 MET A -7 2.744 21.234 0.418 1.00 0.00 H new ATOM 0 HE1 MET A -7 2.096 24.769 -0.217 1.00 0.00 H new ATOM 0 HE2 MET A -7 3.123 23.476 0.446 1.00 0.00 H new ATOM 0 HE3 MET A -7 2.750 23.512 -1.294 1.00 0.00 H new ATOM 201 N LYS A -6 3.413 21.177 -2.347 1.00 0.00 N ATOM 202 CA LYS A -6 3.680 22.118 -3.434 1.00 0.00 C ATOM 203 C LYS A -6 3.664 21.338 -4.738 1.00 0.00 C ATOM 204 O LYS A -6 3.215 21.823 -5.776 1.00 0.00 O ATOM 205 CB LYS A -6 5.032 22.809 -3.237 1.00 0.00 C ATOM 206 CG LYS A -6 5.403 23.752 -4.369 1.00 0.00 C ATOM 207 CD LYS A -6 6.902 24.003 -4.415 1.00 0.00 C ATOM 208 CE LYS A -6 7.676 22.721 -4.681 1.00 0.00 C ATOM 209 NZ LYS A -6 8.533 22.832 -5.894 1.00 0.00 N ATOM 0 H LYS A -6 4.094 21.191 -1.588 1.00 0.00 H new ATOM 0 HA LYS A -6 2.918 22.897 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A -6 5.012 23.368 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A -6 5.808 22.050 -3.139 1.00 0.00 H new ATOM 0 HG2 LYS A -6 5.074 23.330 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A -6 4.878 24.699 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A -6 7.126 24.732 -5.194 1.00 0.00 H new ATOM 0 HD3 LYS A -6 7.228 24.436 -3.469 1.00 0.00 H new ATOM 0 HE2 LYS A -6 8.298 22.486 -3.817 1.00 0.00 H new ATOM 0 HE3 LYS A -6 6.977 21.894 -4.805 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 9.044 21.938 -6.041 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 7.937 23.031 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 9.217 23.605 -5.766 1.00 0.00 H new ATOM 223 N GLN A -5 4.095 20.090 -4.628 1.00 0.00 N ATOM 224 CA GLN A -5 4.085 19.158 -5.731 1.00 0.00 C ATOM 225 C GLN A -5 2.627 18.858 -6.084 1.00 0.00 C ATOM 226 O GLN A -5 1.804 19.770 -6.149 1.00 0.00 O ATOM 227 CB GLN A -5 4.847 17.883 -5.355 1.00 0.00 C ATOM 228 CG GLN A -5 6.225 18.146 -4.771 1.00 0.00 C ATOM 229 CD GLN A -5 7.233 17.081 -5.155 1.00 0.00 C ATOM 230 OE1 GLN A -5 7.692 17.025 -6.295 1.00 0.00 O ATOM 231 NE2 GLN A -5 7.585 16.230 -4.198 1.00 0.00 N ATOM 0 H GLN A -5 4.463 19.699 -3.761 1.00 0.00 H new ATOM 0 HA GLN A -5 4.586 19.585 -6.600 1.00 0.00 H new ATOM 0 HB2 GLN A -5 4.258 17.318 -4.633 1.00 0.00 H new ATOM 0 HB3 GLN A -5 4.951 17.257 -6.242 1.00 0.00 H new ATOM 0 HG2 GLN A -5 6.581 19.118 -5.112 1.00 0.00 H new ATOM 0 HG3 GLN A -5 6.152 18.197 -3.685 1.00 0.00 H new ATOM 0 HE21 GLN A -5 7.179 16.314 -3.266 1.00 0.00 H new ATOM 0 HE22 GLN A -5 8.262 15.493 -4.395 1.00 0.00 H new ATOM 240 N LEU A -4 2.307 17.592 -6.312 1.00 0.00 N ATOM 241 CA LEU A -4 0.946 17.197 -6.656 1.00 0.00 C ATOM 242 C LEU A -4 -0.069 17.639 -5.597 1.00 0.00 C ATOM 243 O LEU A -4 -1.276 17.557 -5.825 1.00 0.00 O ATOM 244 CB LEU A -4 0.883 15.680 -6.788 1.00 0.00 C ATOM 245 CG LEU A -4 -0.471 15.123 -7.233 1.00 0.00 C ATOM 246 CD1 LEU A -4 -0.282 13.874 -8.080 1.00 0.00 C ATOM 247 CD2 LEU A -4 -1.345 14.824 -6.024 1.00 0.00 C ATOM 0 H LEU A -4 2.971 16.819 -6.265 1.00 0.00 H new ATOM 0 HA LEU A -4 0.689 17.685 -7.596 1.00 0.00 H new ATOM 0 HB2 LEU A -4 1.642 15.361 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A -4 1.143 15.236 -5.827 1.00 0.00 H new ATOM 0 HG LEU A -4 -0.972 15.876 -7.842 1.00 0.00 H new ATOM 0 HD11 LEU A -4 -1.256 13.492 -8.387 1.00 0.00 H new ATOM 0 HD12 LEU A -4 0.307 14.119 -8.964 1.00 0.00 H new ATOM 0 HD13 LEU A -4 0.238 13.114 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A -4 -2.304 14.429 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU A -4 -0.850 14.088 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A -4 -1.508 15.741 -5.457 1.00 0.00 H new ATOM 259 N HIS A -3 0.407 18.103 -4.440 1.00 0.00 N ATOM 260 CA HIS A -3 -0.490 18.543 -3.374 1.00 0.00 C ATOM 261 C HIS A -3 -1.296 17.368 -2.826 1.00 0.00 C ATOM 262 O HIS A -3 -2.526 17.376 -2.857 1.00 0.00 O ATOM 263 CB HIS A -3 -1.434 19.633 -3.887 1.00 0.00 C ATOM 264 CG HIS A -3 -2.055 20.446 -2.794 1.00 0.00 C ATOM 265 ND1 HIS A -3 -1.546 21.443 -2.031 1.00 0.00 N flip ATOM 266 CD2 HIS A -3 -3.358 20.275 -2.376 1.00 0.00 C flip ATOM 267 CE1 HIS A -3 -2.540 21.849 -1.177 1.00 0.00 C flip ATOM 268 NE2 HIS A -3 -3.623 21.130 -1.405 1.00 0.00 N flip ATOM 0 H HIS A -3 1.400 18.183 -4.220 1.00 0.00 H new ATOM 0 HA HIS A -3 0.117 18.953 -2.567 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -0.883 20.296 -4.554 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -2.224 19.170 -4.479 1.00 0.00 H new ATOM 0 HD1 HIS A -3 -0.600 21.821 -2.082 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -4.053 19.554 -2.780 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -2.451 22.631 -0.437 1.00 0.00 H new ATOM 277 N GLY A -2 -0.591 16.361 -2.323 1.00 0.00 N ATOM 278 CA GLY A -2 -1.255 15.192 -1.773 1.00 0.00 C ATOM 279 C GLY A -2 -0.662 14.758 -0.447 1.00 0.00 C ATOM 280 O GLY A -2 0.236 15.412 0.083 1.00 0.00 O ATOM 0 H GLY A -2 0.428 16.332 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -2.315 15.409 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -1.185 14.370 -2.485 1.00 0.00 H new ATOM 284 N GLY A -1 -1.164 13.650 0.089 1.00 0.00 N ATOM 285 CA GLY A -1 -0.667 13.146 1.356 1.00 0.00 C ATOM 286 C GLY A -1 -1.045 14.032 2.529 1.00 0.00 C ATOM 287 O GLY A -1 -0.421 13.966 3.588 1.00 0.00 O ATOM 0 H GLY A -1 -1.907 13.092 -0.332 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -1.060 12.143 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A -1 0.418 13.059 1.307 1.00 0.00 H new ATOM 291 N VAL A 1 -2.068 14.861 2.341 1.00 0.00 N ATOM 292 CA VAL A 1 -2.527 15.763 3.392 1.00 0.00 C ATOM 293 C VAL A 1 -3.694 16.618 2.905 1.00 0.00 C ATOM 294 O VAL A 1 -3.527 17.477 2.039 1.00 0.00 O ATOM 295 CB VAL A 1 -1.391 16.687 3.878 1.00 0.00 C ATOM 296 CG1 VAL A 1 -0.876 17.552 2.737 1.00 0.00 C ATOM 297 CG2 VAL A 1 -1.861 17.549 5.043 1.00 0.00 C ATOM 0 H VAL A 1 -2.595 14.927 1.470 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.856 15.141 4.225 1.00 0.00 H new ATOM 0 HB VAL A 1 -0.568 16.063 4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -0.076 18.196 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.494 16.914 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -1.689 18.167 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -1.045 18.193 5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -2.703 18.163 4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -2.171 16.908 5.868 1.00 0.00 H new ATOM 307 N ASN A 2 -4.875 16.376 3.465 1.00 0.00 N ATOM 308 CA ASN A 2 -6.066 17.126 3.083 1.00 0.00 C ATOM 309 C ASN A 2 -7.159 16.994 4.138 1.00 0.00 C ATOM 310 O ASN A 2 -8.071 16.179 4.002 1.00 0.00 O ATOM 311 CB ASN A 2 -6.588 16.638 1.730 1.00 0.00 C ATOM 312 CG ASN A 2 -6.718 15.128 1.671 1.00 0.00 C ATOM 313 OD1 ASN A 2 -5.737 14.418 1.446 1.00 0.00 O ATOM 314 ND2 ASN A 2 -7.932 14.630 1.871 1.00 0.00 N ATOM 0 H ASN A 2 -5.033 15.669 4.183 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.790 18.178 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.559 17.092 1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.914 16.973 0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.081 13.621 1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.716 15.256 2.054 1.00 0.00 H new ATOM 321 N TYR A 3 -7.064 17.805 5.188 1.00 0.00 N ATOM 322 CA TYR A 3 -8.050 17.781 6.263 1.00 0.00 C ATOM 323 C TYR A 3 -8.127 16.399 6.906 1.00 0.00 C ATOM 324 O TYR A 3 -9.021 15.610 6.601 1.00 0.00 O ATOM 325 CB TYR A 3 -9.426 18.191 5.731 1.00 0.00 C ATOM 326 CG TYR A 3 -10.164 19.153 6.634 1.00 0.00 C ATOM 327 CD1 TYR A 3 -10.631 18.747 7.878 1.00 0.00 C ATOM 328 CD2 TYR A 3 -10.392 20.466 6.244 1.00 0.00 C ATOM 329 CE1 TYR A 3 -11.307 19.624 8.706 1.00 0.00 C ATOM 330 CE2 TYR A 3 -11.066 21.348 7.067 1.00 0.00 C ATOM 331 CZ TYR A 3 -11.520 20.922 8.296 1.00 0.00 C ATOM 332 OH TYR A 3 -12.192 21.797 9.118 1.00 0.00 O ATOM 0 H TYR A 3 -6.315 18.486 5.317 1.00 0.00 H new ATOM 0 HA TYR A 3 -7.736 18.495 7.025 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -9.305 18.648 4.749 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -10.034 17.297 5.593 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -10.463 17.731 8.203 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -10.037 20.803 5.282 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -11.666 19.293 9.669 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -11.236 22.366 6.748 1.00 0.00 H new ATOM 0 HH TYR A 3 -12.257 22.672 8.681 1.00 0.00 H new ATOM 342 N GLY A 4 -7.183 16.111 7.797 1.00 0.00 N ATOM 343 CA GLY A 4 -7.163 14.823 8.468 1.00 0.00 C ATOM 344 C GLY A 4 -7.962 14.822 9.758 1.00 0.00 C ATOM 345 O GLY A 4 -7.550 14.218 10.749 1.00 0.00 O ATOM 0 H GLY A 4 -6.432 16.746 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.563 14.062 7.797 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.131 14.547 8.684 1.00 0.00 H new ATOM 349 N ASN A 5 -9.114 15.490 9.745 1.00 0.00 N ATOM 350 CA ASN A 5 -9.982 15.557 10.915 1.00 0.00 C ATOM 351 C ASN A 5 -9.311 16.259 12.097 1.00 0.00 C ATOM 352 O ASN A 5 -9.877 16.322 13.188 1.00 0.00 O ATOM 353 CB ASN A 5 -10.390 14.150 11.315 1.00 0.00 C ATOM 354 CG ASN A 5 -11.731 14.108 12.021 1.00 0.00 C ATOM 355 OD1 ASN A 5 -12.621 14.910 11.737 1.00 0.00 O ATOM 356 ND2 ASN A 5 -11.884 13.169 12.948 1.00 0.00 N ATOM 0 H ASN A 5 -9.468 15.994 8.932 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.859 16.146 10.647 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.433 13.522 10.425 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.627 13.727 11.968 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.765 13.092 13.456 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.120 12.525 13.152 1.00 0.00 H new ATOM 363 N GLY A 6 -8.109 16.785 11.882 1.00 0.00 N ATOM 364 CA GLY A 6 -7.400 17.470 12.947 1.00 0.00 C ATOM 365 C GLY A 6 -7.238 16.608 14.184 1.00 0.00 C ATOM 366 O GLY A 6 -8.079 16.636 15.083 1.00 0.00 O ATOM 0 H GLY A 6 -7.614 16.749 10.991 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -6.417 17.773 12.588 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -7.938 18.381 13.210 1.00 0.00 H new ATOM 370 N VAL A 7 -6.155 15.840 14.230 1.00 0.00 N ATOM 371 CA VAL A 7 -5.886 14.964 15.364 1.00 0.00 C ATOM 372 C VAL A 7 -5.794 15.764 16.664 1.00 0.00 C ATOM 373 O VAL A 7 -6.252 16.904 16.737 1.00 0.00 O ATOM 374 CB VAL A 7 -4.590 14.144 15.142 1.00 0.00 C ATOM 375 CG1 VAL A 7 -3.354 14.902 15.617 1.00 0.00 C ATOM 376 CG2 VAL A 7 -4.690 12.783 15.820 1.00 0.00 C ATOM 0 H VAL A 7 -5.449 15.806 13.495 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.720 14.267 15.447 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.480 13.986 14.069 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.466 14.294 15.444 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.266 15.838 15.065 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.446 15.116 16.682 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.770 12.224 15.651 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.840 12.920 16.891 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.532 12.230 15.403 1.00 0.00 H new ATOM 386 N SER A 8 -5.200 15.159 17.684 1.00 0.00 N ATOM 387 CA SER A 8 -5.047 15.812 18.979 1.00 0.00 C ATOM 388 C SER A 8 -3.650 15.580 19.547 1.00 0.00 C ATOM 389 O SER A 8 -3.082 14.497 19.404 1.00 0.00 O ATOM 390 CB SER A 8 -6.101 15.297 19.961 1.00 0.00 C ATOM 391 OG SER A 8 -7.381 15.824 19.659 1.00 0.00 O ATOM 0 H SER A 8 -4.815 14.215 17.640 1.00 0.00 H new ATOM 0 HA SER A 8 -5.186 16.883 18.835 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.135 14.208 19.925 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.821 15.573 20.978 1.00 0.00 H new ATOM 0 HG SER A 8 -8.037 15.478 20.300 1.00 0.00 H new ATOM 397 N CYS A 9 -3.104 16.604 20.193 1.00 0.00 N ATOM 398 CA CYS A 9 -1.774 16.516 20.784 1.00 0.00 C ATOM 399 C CYS A 9 -1.857 16.087 22.246 1.00 0.00 C ATOM 400 O CYS A 9 -2.557 16.707 23.047 1.00 0.00 O ATOM 401 CB CYS A 9 -1.057 17.865 20.675 1.00 0.00 C ATOM 402 SG CYS A 9 0.218 17.927 19.376 1.00 0.00 S ATOM 0 H CYS A 9 -3.563 17.506 20.321 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.206 15.764 20.235 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.796 18.642 20.481 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.595 18.097 21.634 1.00 0.00 H new ATOM 407 N SER A 10 -1.133 15.025 22.590 1.00 0.00 N ATOM 408 CA SER A 10 -1.125 14.519 23.958 1.00 0.00 C ATOM 409 C SER A 10 0.190 13.813 24.272 1.00 0.00 C ATOM 410 O SER A 10 0.474 12.739 23.740 1.00 0.00 O ATOM 411 CB SER A 10 -2.293 13.563 24.185 1.00 0.00 C ATOM 412 OG SER A 10 -2.501 12.732 23.056 1.00 0.00 O ATOM 0 H SER A 10 -0.546 14.500 21.942 1.00 0.00 H new ATOM 0 HA SER A 10 -1.230 15.372 24.628 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.097 12.947 25.062 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.198 14.133 24.392 1.00 0.00 H new ATOM 0 HG SER A 10 -1.644 12.359 22.762 1.00 0.00 H new ATOM 418 N LYS A 11 0.982 14.423 25.147 1.00 0.00 N ATOM 419 CA LYS A 11 2.265 13.862 25.553 1.00 0.00 C ATOM 420 C LYS A 11 3.229 13.693 24.376 1.00 0.00 C ATOM 421 O LYS A 11 4.342 13.195 24.549 1.00 0.00 O ATOM 422 CB LYS A 11 2.037 12.518 26.233 1.00 0.00 C ATOM 423 CG LYS A 11 3.146 12.122 27.194 1.00 0.00 C ATOM 424 CD LYS A 11 3.236 10.612 27.348 1.00 0.00 C ATOM 425 CE LYS A 11 1.950 10.032 27.914 1.00 0.00 C ATOM 426 NZ LYS A 11 1.855 10.227 29.388 1.00 0.00 N ATOM 0 H LYS A 11 0.755 15.313 25.591 1.00 0.00 H new ATOM 0 HA LYS A 11 2.727 14.564 26.247 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.093 12.552 26.776 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.938 11.747 25.469 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.098 12.509 26.832 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.966 12.578 28.167 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.446 10.158 26.379 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.069 10.361 28.004 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.095 10.503 27.429 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.900 8.968 27.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.964 9.818 29.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.657 9.756 29.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.877 11.244 29.606 1.00 0.00 H new ATOM 440 N THR A 12 2.809 14.106 23.185 1.00 0.00 N ATOM 441 CA THR A 12 3.647 13.994 22.004 1.00 0.00 C ATOM 442 C THR A 12 3.314 15.077 20.984 1.00 0.00 C ATOM 443 O THR A 12 2.448 15.921 21.221 1.00 0.00 O ATOM 444 CB THR A 12 3.497 12.615 21.380 1.00 0.00 C ATOM 445 OG1 THR A 12 4.429 12.430 20.329 1.00 0.00 O ATOM 446 CG2 THR A 12 2.125 12.396 20.828 1.00 0.00 C ATOM 0 H THR A 12 1.893 14.521 23.015 1.00 0.00 H new ATOM 0 HA THR A 12 4.683 14.132 22.313 1.00 0.00 H new ATOM 0 HB THR A 12 3.681 11.897 22.179 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.315 11.536 19.944 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.063 11.399 20.392 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.392 12.488 21.629 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.919 13.141 20.060 1.00 0.00 H new ATOM 454 N LYS A 13 4.002 15.048 19.848 1.00 0.00 N ATOM 455 CA LYS A 13 3.774 16.023 18.793 1.00 0.00 C ATOM 456 C LYS A 13 2.391 15.839 18.177 1.00 0.00 C ATOM 457 O LYS A 13 1.645 14.940 18.566 1.00 0.00 O ATOM 458 CB LYS A 13 4.849 15.899 17.710 1.00 0.00 C ATOM 459 CG LYS A 13 4.928 14.514 17.088 1.00 0.00 C ATOM 460 CD LYS A 13 6.356 14.151 16.717 1.00 0.00 C ATOM 461 CE LYS A 13 6.446 12.741 16.158 1.00 0.00 C ATOM 462 NZ LYS A 13 7.482 12.627 15.095 1.00 0.00 N ATOM 0 H LYS A 13 4.723 14.358 19.636 1.00 0.00 H new ATOM 0 HA LYS A 13 3.829 17.018 19.234 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.649 16.630 16.926 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.818 16.151 18.141 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.534 13.777 17.788 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.299 14.477 16.198 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.733 14.860 15.980 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.994 14.236 17.597 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.677 12.045 16.965 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.477 12.449 15.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.789 11.637 15.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.084 12.941 14.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.298 13.224 15.340 1.00 0.00 H new ATOM 476 N CYS A 14 2.053 16.691 17.217 1.00 0.00 N ATOM 477 CA CYS A 14 0.758 16.617 16.552 1.00 0.00 C ATOM 478 C CYS A 14 0.875 15.892 15.215 1.00 0.00 C ATOM 479 O CYS A 14 0.461 16.408 14.176 1.00 0.00 O ATOM 480 CB CYS A 14 0.188 18.022 16.342 1.00 0.00 C ATOM 481 SG CYS A 14 -0.771 18.653 17.759 1.00 0.00 S ATOM 0 H CYS A 14 2.657 17.441 16.882 1.00 0.00 H new ATOM 0 HA CYS A 14 0.079 16.052 17.191 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.009 18.709 16.137 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.450 18.016 15.458 1.00 0.00 H new ATOM 486 N SER A 15 1.441 14.689 15.249 1.00 0.00 N ATOM 487 CA SER A 15 1.614 13.891 14.042 1.00 0.00 C ATOM 488 C SER A 15 1.630 12.402 14.372 1.00 0.00 C ATOM 489 O SER A 15 1.670 12.014 15.539 1.00 0.00 O ATOM 490 CB SER A 15 2.909 14.281 13.329 1.00 0.00 C ATOM 491 OG SER A 15 2.870 13.913 11.962 1.00 0.00 O ATOM 0 H SER A 15 1.787 14.246 16.100 1.00 0.00 H new ATOM 0 HA SER A 15 0.770 14.089 13.381 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.065 15.356 13.415 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.756 13.796 13.815 1.00 0.00 H new ATOM 0 HG SER A 15 3.726 13.509 11.707 1.00 0.00 H new ATOM 497 N VAL A 16 1.600 11.573 13.333 1.00 0.00 N ATOM 498 CA VAL A 16 1.612 10.125 13.507 1.00 0.00 C ATOM 499 C VAL A 16 3.025 9.569 13.368 1.00 0.00 C ATOM 500 O VAL A 16 3.237 8.528 12.744 1.00 0.00 O ATOM 501 CB VAL A 16 0.696 9.434 12.478 1.00 0.00 C ATOM 502 CG1 VAL A 16 0.595 7.944 12.764 1.00 0.00 C ATOM 503 CG2 VAL A 16 -0.681 10.079 12.471 1.00 0.00 C ATOM 0 H VAL A 16 1.567 11.880 12.361 1.00 0.00 H new ATOM 0 HA VAL A 16 1.241 9.919 14.511 1.00 0.00 H new ATOM 0 HB VAL A 16 1.135 9.559 11.488 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.056 7.475 12.026 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.587 7.495 12.710 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.182 7.792 13.761 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.314 9.578 11.738 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.130 9.989 13.460 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.588 11.133 12.209 1.00 0.00 H new ATOM 513 N ASN A 17 3.995 10.273 13.940 1.00 0.00 N ATOM 514 CA ASN A 17 5.386 9.849 13.864 1.00 0.00 C ATOM 515 C ASN A 17 5.834 9.810 12.410 1.00 0.00 C ATOM 516 O ASN A 17 6.041 8.739 11.839 1.00 0.00 O ATOM 517 CB ASN A 17 5.564 8.474 14.512 1.00 0.00 C ATOM 518 CG ASN A 17 5.778 8.563 16.009 1.00 0.00 C ATOM 519 OD1 ASN A 17 5.459 9.575 16.635 1.00 0.00 O ATOM 520 ND2 ASN A 17 6.320 7.501 16.595 1.00 0.00 N ATOM 0 H ASN A 17 3.844 11.137 14.460 1.00 0.00 H new ATOM 0 HA ASN A 17 6.002 10.565 14.407 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.684 7.864 14.309 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.415 7.968 14.056 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.487 7.503 17.601 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.569 6.683 16.039 1.00 0.00 H new ATOM 527 N TRP A 18 5.962 10.989 11.813 1.00 0.00 N ATOM 528 CA TRP A 18 6.361 11.101 10.420 1.00 0.00 C ATOM 529 C TRP A 18 7.864 10.884 10.230 1.00 0.00 C ATOM 530 O TRP A 18 8.401 11.158 9.157 1.00 0.00 O ATOM 531 CB TRP A 18 5.956 12.468 9.864 1.00 0.00 C ATOM 532 CG TRP A 18 4.686 12.433 9.070 1.00 0.00 C ATOM 533 CD1 TRP A 18 3.420 12.273 9.556 1.00 0.00 C ATOM 534 CD2 TRP A 18 4.559 12.556 7.649 1.00 0.00 C ATOM 535 NE1 TRP A 18 2.513 12.291 8.523 1.00 0.00 N ATOM 536 CE2 TRP A 18 3.188 12.463 7.343 1.00 0.00 C ATOM 537 CE3 TRP A 18 5.472 12.737 6.605 1.00 0.00 C ATOM 538 CZ2 TRP A 18 2.709 12.545 6.038 1.00 0.00 C ATOM 539 CZ3 TRP A 18 4.994 12.818 5.311 1.00 0.00 C ATOM 540 CH2 TRP A 18 3.624 12.722 5.036 1.00 0.00 C ATOM 0 H TRP A 18 5.794 11.882 12.276 1.00 0.00 H new ATOM 0 HA TRP A 18 5.844 10.314 9.870 1.00 0.00 H new ATOM 0 HB2 TRP A 18 5.840 13.169 10.691 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.760 12.849 9.234 1.00 0.00 H new ATOM 0 HD1 TRP A 18 3.168 12.150 10.599 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.502 12.192 8.619 1.00 0.00 H new ATOM 0 HE3 TRP A 18 6.530 12.812 6.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.653 12.472 5.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.690 12.958 4.497 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.283 12.789 4.013 1.00 0.00 H new ATOM 551 N GLY A 19 8.538 10.392 11.266 1.00 0.00 N ATOM 552 CA GLY A 19 9.966 10.149 11.171 1.00 0.00 C ATOM 553 C GLY A 19 10.306 8.679 11.314 1.00 0.00 C ATOM 554 O GLY A 19 10.943 8.088 10.439 1.00 0.00 O ATOM 0 H GLY A 19 8.122 10.158 12.167 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.332 10.513 10.211 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.482 10.717 11.945 1.00 0.00 H new ATOM 558 N GLN A 20 9.875 8.082 12.419 1.00 0.00 N ATOM 559 CA GLN A 20 10.134 6.671 12.672 1.00 0.00 C ATOM 560 C GLN A 20 9.560 5.809 11.556 1.00 0.00 C ATOM 561 O GLN A 20 10.308 5.212 10.782 1.00 0.00 O ATOM 562 CB GLN A 20 9.543 6.251 14.019 1.00 0.00 C ATOM 563 CG GLN A 20 10.546 6.282 15.159 1.00 0.00 C ATOM 564 CD GLN A 20 10.169 5.346 16.291 1.00 0.00 C ATOM 565 OE1 GLN A 20 8.989 5.555 16.863 1.00 0.00 O flip ATOM 566 NE2 GLN A 20 10.929 4.446 16.648 1.00 0.00 N flip ATOM 0 H GLN A 20 9.345 8.553 13.153 1.00 0.00 H new ATOM 0 HA GLN A 20 11.214 6.524 12.702 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.709 6.910 14.262 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.138 5.243 13.930 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.531 6.009 14.779 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.623 7.299 15.543 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.827 4.321 16.180 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.661 3.825 17.411 1.00 0.00 H new ATOM 575 N ALA A 21 8.232 5.741 11.467 1.00 0.00 N ATOM 576 CA ALA A 21 7.602 4.939 10.425 1.00 0.00 C ATOM 577 C ALA A 21 7.885 5.471 9.035 1.00 0.00 C ATOM 578 O ALA A 21 7.511 4.863 8.031 1.00 0.00 O ATOM 579 CB ALA A 21 6.114 4.768 10.659 1.00 0.00 C ATOM 0 H ALA A 21 7.585 6.222 12.091 1.00 0.00 H new ATOM 0 HA ALA A 21 8.057 3.950 10.486 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.687 4.164 9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.951 4.271 11.615 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.633 5.746 10.672 1.00 0.00 H new ATOM 585 N PHE A 22 8.589 6.573 8.987 1.00 0.00 N ATOM 586 CA PHE A 22 8.988 7.166 7.726 1.00 0.00 C ATOM 587 C PHE A 22 10.084 6.293 7.152 1.00 0.00 C ATOM 588 O PHE A 22 10.109 5.986 5.960 1.00 0.00 O ATOM 589 CB PHE A 22 9.487 8.598 7.919 1.00 0.00 C ATOM 590 CG PHE A 22 9.647 9.355 6.632 1.00 0.00 C ATOM 591 CD1 PHE A 22 8.615 9.408 5.709 1.00 0.00 C ATOM 592 CD2 PHE A 22 10.832 10.013 6.344 1.00 0.00 C ATOM 593 CE1 PHE A 22 8.761 10.106 4.524 1.00 0.00 C ATOM 594 CE2 PHE A 22 10.985 10.710 5.161 1.00 0.00 C ATOM 595 CZ PHE A 22 9.948 10.756 4.250 1.00 0.00 C ATOM 0 H PHE A 22 8.902 7.085 9.812 1.00 0.00 H new ATOM 0 HA PHE A 22 8.136 7.220 7.048 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.789 9.134 8.562 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.445 8.574 8.439 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.686 8.898 5.917 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.646 9.981 7.053 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.948 10.143 3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.914 11.218 4.949 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.065 11.300 3.324 1.00 0.00 H new ATOM 605 N GLN A 23 10.960 5.853 8.049 1.00 0.00 N ATOM 606 CA GLN A 23 12.043 4.958 7.695 1.00 0.00 C ATOM 607 C GLN A 23 11.484 3.549 7.491 1.00 0.00 C ATOM 608 O GLN A 23 12.090 2.716 6.817 1.00 0.00 O ATOM 609 CB GLN A 23 13.104 4.955 8.800 1.00 0.00 C ATOM 610 CG GLN A 23 14.324 5.801 8.472 1.00 0.00 C ATOM 611 CD GLN A 23 14.656 6.796 9.566 1.00 0.00 C ATOM 612 OE1 GLN A 23 14.730 8.001 9.324 1.00 0.00 O ATOM 613 NE2 GLN A 23 14.859 6.297 10.779 1.00 0.00 N ATOM 0 H GLN A 23 10.935 6.108 9.036 1.00 0.00 H new ATOM 0 HA GLN A 23 12.510 5.297 6.770 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.656 5.321 9.724 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.422 3.929 8.984 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.181 5.148 8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.149 6.337 7.539 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.788 5.292 10.935 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.086 6.919 11.555 1.00 0.00 H new ATOM 622 N GLU A 24 10.307 3.301 8.078 1.00 0.00 N ATOM 623 CA GLU A 24 9.640 2.010 7.969 1.00 0.00 C ATOM 624 C GLU A 24 9.174 1.762 6.539 1.00 0.00 C ATOM 625 O GLU A 24 9.526 0.757 5.923 1.00 0.00 O ATOM 626 CB GLU A 24 8.444 1.944 8.920 1.00 0.00 C ATOM 627 CG GLU A 24 8.828 1.632 10.358 1.00 0.00 C ATOM 628 CD GLU A 24 7.622 1.500 11.268 1.00 0.00 C ATOM 629 OE1 GLU A 24 6.929 0.464 11.191 1.00 0.00 O ATOM 630 OE2 GLU A 24 7.369 2.434 12.059 1.00 0.00 O ATOM 0 H GLU A 24 9.799 3.987 8.636 1.00 0.00 H new ATOM 0 HA GLU A 24 10.357 1.236 8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.915 2.897 8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.749 1.183 8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.401 0.705 10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.479 2.421 10.736 1.00 0.00 H new ATOM 637 N ARG A 25 8.375 2.690 6.019 1.00 0.00 N ATOM 638 CA ARG A 25 7.853 2.580 4.662 1.00 0.00 C ATOM 639 C ARG A 25 8.985 2.503 3.645 1.00 0.00 C ATOM 640 O ARG A 25 8.836 1.912 2.576 1.00 0.00 O ATOM 641 CB ARG A 25 6.947 3.772 4.346 1.00 0.00 C ATOM 642 CG ARG A 25 5.526 3.610 4.859 1.00 0.00 C ATOM 643 CD ARG A 25 4.774 2.538 4.088 1.00 0.00 C ATOM 644 NE ARG A 25 3.326 2.692 4.207 1.00 0.00 N ATOM 645 CZ ARG A 25 2.640 2.421 5.315 1.00 0.00 C ATOM 646 NH1 ARG A 25 3.265 1.981 6.400 1.00 0.00 N ATOM 647 NH2 ARG A 25 1.324 2.590 5.337 1.00 0.00 N ATOM 0 H ARG A 25 8.075 3.527 6.519 1.00 0.00 H new ATOM 0 HA ARG A 25 7.271 1.661 4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.381 4.672 4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.920 3.921 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.548 3.351 5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.997 4.559 4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.058 2.581 3.037 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.065 1.555 4.457 1.00 0.00 H new ATOM 0 HE ARG A 25 2.810 3.027 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.276 1.849 6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.734 1.775 7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.839 2.927 4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.797 2.383 6.186 1.00 0.00 H new ATOM 661 N TYR A 26 10.114 3.104 3.989 1.00 0.00 N ATOM 662 CA TYR A 26 11.278 3.107 3.114 1.00 0.00 C ATOM 663 C TYR A 26 11.830 1.696 2.944 1.00 0.00 C ATOM 664 O TYR A 26 12.087 1.248 1.827 1.00 0.00 O ATOM 665 CB TYR A 26 12.362 4.030 3.674 1.00 0.00 C ATOM 666 CG TYR A 26 12.313 5.434 3.112 1.00 0.00 C ATOM 667 CD1 TYR A 26 12.220 5.651 1.743 1.00 0.00 C ATOM 668 CD2 TYR A 26 12.357 6.540 3.951 1.00 0.00 C ATOM 669 CE1 TYR A 26 12.173 6.932 1.225 1.00 0.00 C ATOM 670 CE2 TYR A 26 12.311 7.825 3.441 1.00 0.00 C ATOM 671 CZ TYR A 26 12.219 8.015 2.079 1.00 0.00 C ATOM 672 OH TYR A 26 12.171 9.291 1.567 1.00 0.00 O ATOM 0 H TYR A 26 10.250 3.598 4.871 1.00 0.00 H new ATOM 0 HA TYR A 26 10.968 3.477 2.137 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.262 4.078 4.758 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.340 3.597 3.463 1.00 0.00 H new ATOM 0 HD1 TYR A 26 12.184 4.805 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 26 12.428 6.394 5.019 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.101 7.084 0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.347 8.675 4.107 1.00 0.00 H new ATOM 0 HH TYR A 26 12.212 9.940 2.301 1.00 0.00 H new ATOM 682 N THR A 27 12.007 0.999 4.062 1.00 0.00 N ATOM 683 CA THR A 27 12.527 -0.362 4.042 1.00 0.00 C ATOM 684 C THR A 27 11.527 -1.316 3.394 1.00 0.00 C ATOM 685 O THR A 27 11.911 -2.242 2.679 1.00 0.00 O ATOM 686 CB THR A 27 12.850 -0.827 5.463 1.00 0.00 C ATOM 687 OG1 THR A 27 13.791 0.040 6.070 1.00 0.00 O ATOM 688 CG2 THR A 27 13.414 -2.231 5.522 1.00 0.00 C ATOM 0 H THR A 27 11.797 1.356 4.994 1.00 0.00 H new ATOM 0 HA THR A 27 13.442 -0.368 3.450 1.00 0.00 H new ATOM 0 HB THR A 27 11.899 -0.814 5.995 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.349 0.877 6.324 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.621 -2.497 6.559 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.691 -2.932 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.338 -2.277 4.945 1.00 0.00 H new ATOM 696 N ALA A 28 10.243 -1.084 3.650 1.00 0.00 N ATOM 697 CA ALA A 28 9.189 -1.923 3.095 1.00 0.00 C ATOM 698 C ALA A 28 9.090 -1.759 1.581 1.00 0.00 C ATOM 699 O ALA A 28 8.658 -2.672 0.877 1.00 0.00 O ATOM 700 CB ALA A 28 7.856 -1.595 3.750 1.00 0.00 C ATOM 0 H ALA A 28 9.908 -0.321 4.239 1.00 0.00 H new ATOM 0 HA ALA A 28 9.441 -2.963 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.077 -2.229 3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.925 -1.772 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.610 -0.548 3.570 1.00 0.00 H new ATOM 706 N GLY A 29 9.488 -0.591 1.087 1.00 0.00 N ATOM 707 CA GLY A 29 9.430 -0.331 -0.340 1.00 0.00 C ATOM 708 C GLY A 29 10.652 -0.845 -1.078 1.00 0.00 C ATOM 709 O GLY A 29 10.529 -1.542 -2.085 1.00 0.00 O ATOM 0 H GLY A 29 9.849 0.180 1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.537 -0.798 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.335 0.742 -0.506 1.00 0.00 H new ATOM 713 N ILE A 30 11.834 -0.497 -0.578 1.00 0.00 N ATOM 714 CA ILE A 30 13.081 -0.925 -1.200 1.00 0.00 C ATOM 715 C ILE A 30 13.160 -2.447 -1.285 1.00 0.00 C ATOM 716 O ILE A 30 13.739 -2.995 -2.224 1.00 0.00 O ATOM 717 CB ILE A 30 14.306 -0.393 -0.429 1.00 0.00 C ATOM 718 CG1 ILE A 30 14.264 1.133 -0.358 1.00 0.00 C ATOM 719 CG2 ILE A 30 15.599 -0.863 -1.083 1.00 0.00 C ATOM 720 CD1 ILE A 30 15.282 1.722 0.593 1.00 0.00 C ATOM 0 H ILE A 30 11.954 0.079 0.255 1.00 0.00 H new ATOM 0 HA ILE A 30 13.092 -0.510 -2.208 1.00 0.00 H new ATOM 0 HB ILE A 30 14.275 -0.790 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.432 1.540 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 30 13.267 1.447 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.451 -0.477 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.630 -1.953 -1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.642 -0.497 -2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 30 15.195 2.808 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 30 15.101 1.344 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 30 16.285 1.438 0.274 1.00 0.00 H new ATOM 732 N ASN A 31 12.575 -3.125 -0.302 1.00 0.00 N ATOM 733 CA ASN A 31 12.580 -4.586 -0.269 1.00 0.00 C ATOM 734 C ASN A 31 12.114 -5.165 -1.601 1.00 0.00 C ATOM 735 O ASN A 31 12.875 -5.839 -2.296 1.00 0.00 O ATOM 736 CB ASN A 31 11.686 -5.096 0.862 1.00 0.00 C ATOM 737 CG ASN A 31 12.112 -6.461 1.365 1.00 0.00 C ATOM 738 OD1 ASN A 31 11.359 -7.431 1.276 1.00 0.00 O ATOM 739 ND2 ASN A 31 13.326 -6.542 1.897 1.00 0.00 N ATOM 0 H ASN A 31 12.091 -2.687 0.482 1.00 0.00 H new ATOM 0 HA ASN A 31 13.604 -4.914 -0.090 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.708 -4.385 1.688 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.655 -5.146 0.512 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.669 -7.435 2.252 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.916 -5.712 1.950 1.00 0.00 H new ATOM 746 N SER A 32 10.864 -4.892 -1.955 1.00 0.00 N ATOM 747 CA SER A 32 10.302 -5.382 -3.208 1.00 0.00 C ATOM 748 C SER A 32 11.088 -4.842 -4.398 1.00 0.00 C ATOM 749 O SER A 32 11.216 -5.507 -5.425 1.00 0.00 O ATOM 750 CB SER A 32 8.832 -4.977 -3.326 1.00 0.00 C ATOM 751 OG SER A 32 7.982 -5.983 -2.801 1.00 0.00 O ATOM 0 H SER A 32 10.221 -4.335 -1.393 1.00 0.00 H new ATOM 0 HA SER A 32 10.371 -6.470 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.665 -4.041 -2.793 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.584 -4.796 -4.372 1.00 0.00 H new ATOM 0 HG SER A 32 7.048 -5.699 -2.887 1.00 0.00 H new ATOM 757 N PHE A 33 11.612 -3.629 -4.249 1.00 0.00 N ATOM 758 CA PHE A 33 12.387 -2.994 -5.306 1.00 0.00 C ATOM 759 C PHE A 33 13.698 -3.737 -5.544 1.00 0.00 C ATOM 760 O PHE A 33 14.135 -3.897 -6.685 1.00 0.00 O ATOM 761 CB PHE A 33 12.671 -1.534 -4.951 1.00 0.00 C ATOM 762 CG PHE A 33 11.657 -0.575 -5.504 1.00 0.00 C ATOM 763 CD1 PHE A 33 11.500 -0.425 -6.872 1.00 0.00 C ATOM 764 CD2 PHE A 33 10.860 0.177 -4.655 1.00 0.00 C ATOM 765 CE1 PHE A 33 10.567 0.456 -7.384 1.00 0.00 C ATOM 766 CE2 PHE A 33 9.925 1.059 -5.162 1.00 0.00 C ATOM 767 CZ PHE A 33 9.779 1.199 -6.528 1.00 0.00 C ATOM 0 H PHE A 33 11.513 -3.066 -3.404 1.00 0.00 H new ATOM 0 HA PHE A 33 11.800 -3.030 -6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.702 -1.432 -3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 33 13.658 -1.263 -5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.114 -1.003 -7.546 1.00 0.00 H new ATOM 0 HD2 PHE A 33 10.971 0.072 -3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.454 0.563 -8.453 1.00 0.00 H new ATOM 0 HE2 PHE A 33 9.309 1.638 -4.490 1.00 0.00 H new ATOM 0 HZ PHE A 33 9.049 1.889 -6.926 1.00 0.00 H new ATOM 777 N VAL A 34 14.322 -4.192 -4.460 1.00 0.00 N ATOM 778 CA VAL A 34 15.584 -4.917 -4.553 1.00 0.00 C ATOM 779 C VAL A 34 15.460 -6.113 -5.492 1.00 0.00 C ATOM 780 O VAL A 34 15.955 -6.076 -6.613 1.00 0.00 O ATOM 781 CB VAL A 34 16.066 -5.396 -3.167 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.396 -6.127 -3.280 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.177 -4.220 -2.205 1.00 0.00 C ATOM 0 H VAL A 34 13.974 -4.071 -3.509 1.00 0.00 H new ATOM 0 HA VAL A 34 16.322 -4.223 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 34 15.329 -6.095 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.716 -6.455 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.281 -6.994 -3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.145 -5.456 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.518 -4.576 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.891 -3.495 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.202 -3.746 -2.096 1.00 0.00 H new ATOM 793 N SER A 35 14.815 -7.180 -5.027 1.00 0.00 N ATOM 794 CA SER A 35 14.662 -8.380 -5.823 1.00 0.00 C ATOM 795 C SER A 35 14.170 -8.083 -7.217 1.00 0.00 C ATOM 796 O SER A 35 14.817 -8.472 -8.190 1.00 0.00 O ATOM 797 CB SER A 35 13.708 -9.363 -5.134 1.00 0.00 C ATOM 798 OG SER A 35 12.358 -9.061 -5.440 1.00 0.00 O ATOM 0 H SER A 35 14.392 -7.231 -4.100 1.00 0.00 H new ATOM 0 HA SER A 35 15.650 -8.831 -5.910 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.937 -10.380 -5.451 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.857 -9.324 -4.055 1.00 0.00 H new ATOM 0 HG SER A 35 11.769 -9.703 -4.990 1.00 0.00 H new ATOM 804 N GLY A 36 13.057 -7.385 -7.331 1.00 0.00 N ATOM 805 CA GLY A 36 12.561 -7.050 -8.653 1.00 0.00 C ATOM 806 C GLY A 36 13.729 -6.814 -9.587 1.00 0.00 C ATOM 807 O GLY A 36 13.764 -7.313 -10.713 1.00 0.00 O ATOM 0 H GLY A 36 12.493 -7.047 -6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.935 -7.857 -9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.936 -6.158 -8.603 1.00 0.00 H new ATOM 811 N VAL A 37 14.709 -6.078 -9.072 1.00 0.00 N ATOM 812 CA VAL A 37 15.925 -5.785 -9.784 1.00 0.00 C ATOM 813 C VAL A 37 17.017 -6.824 -9.504 1.00 0.00 C ATOM 814 O VAL A 37 17.389 -7.610 -10.375 1.00 0.00 O ATOM 815 CB VAL A 37 16.455 -4.382 -9.419 1.00 0.00 C ATOM 816 CG1 VAL A 37 17.699 -4.043 -10.231 1.00 0.00 C ATOM 817 CG2 VAL A 37 15.371 -3.335 -9.631 1.00 0.00 C ATOM 0 H VAL A 37 14.670 -5.669 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 37 15.680 -5.817 -10.846 1.00 0.00 H new ATOM 0 HB VAL A 37 16.733 -4.384 -8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.054 -3.050 -9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.479 -4.776 -10.025 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.456 -4.060 -11.293 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.760 -2.351 -9.369 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.062 -3.337 -10.676 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.513 -3.566 -8.999 1.00 0.00 H new ATOM 827 N ALA A 38 17.554 -6.774 -8.280 1.00 0.00 N ATOM 828 CA ALA A 38 18.635 -7.646 -7.850 1.00 0.00 C ATOM 829 C ALA A 38 18.189 -9.018 -7.366 1.00 0.00 C ATOM 830 O ALA A 38 18.402 -10.039 -8.022 1.00 0.00 O ATOM 831 CB ALA A 38 19.439 -6.962 -6.749 1.00 0.00 C ATOM 0 H ALA A 38 17.244 -6.121 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 38 19.243 -7.821 -8.738 1.00 0.00 H new ATOM 0 HB1 ALA A 38 20.249 -7.618 -6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.856 -6.029 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.788 -6.749 -5.901 1.00 0.00 H new ATOM 837 N SER A 39 17.632 -9.015 -6.163 1.00 0.00 N ATOM 838 CA SER A 39 17.201 -10.221 -5.471 1.00 0.00 C ATOM 839 C SER A 39 16.091 -10.997 -6.190 1.00 0.00 C ATOM 840 O SER A 39 15.590 -11.990 -5.663 1.00 0.00 O ATOM 841 CB SER A 39 16.781 -9.832 -4.059 1.00 0.00 C ATOM 842 OG SER A 39 17.240 -10.778 -3.109 1.00 0.00 O ATOM 0 H SER A 39 17.464 -8.160 -5.632 1.00 0.00 H new ATOM 0 HA SER A 39 18.043 -10.913 -5.450 1.00 0.00 H new ATOM 0 HB2 SER A 39 17.179 -8.847 -3.817 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.695 -9.758 -4.007 1.00 0.00 H new ATOM 0 HG SER A 39 16.958 -10.503 -2.211 1.00 0.00 H new ATOM 848 N GLY A 40 15.707 -10.554 -7.385 1.00 0.00 N ATOM 849 CA GLY A 40 14.664 -11.239 -8.124 1.00 0.00 C ATOM 850 C GLY A 40 15.206 -12.022 -9.305 1.00 0.00 C ATOM 851 O GLY A 40 14.953 -13.221 -9.431 1.00 0.00 O ATOM 0 H GLY A 40 16.099 -9.736 -7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.135 -11.917 -7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.936 -10.510 -8.479 1.00 0.00 H new ATOM 855 N ALA A 41 15.951 -11.344 -10.170 1.00 0.00 N ATOM 856 CA ALA A 41 16.529 -11.981 -11.346 1.00 0.00 C ATOM 857 C ALA A 41 17.492 -11.046 -12.061 1.00 0.00 C ATOM 858 O ALA A 41 18.549 -11.463 -12.536 1.00 0.00 O ATOM 859 CB ALA A 41 15.429 -12.437 -12.290 1.00 0.00 C ATOM 0 H ALA A 41 16.169 -10.352 -10.078 1.00 0.00 H new ATOM 0 HA ALA A 41 17.094 -12.853 -11.016 1.00 0.00 H new ATOM 0 HB1 ALA A 41 15.874 -12.911 -13.165 1.00 0.00 H new ATOM 0 HB2 ALA A 41 14.784 -13.151 -11.779 1.00 0.00 H new ATOM 0 HB3 ALA A 41 14.839 -11.576 -12.605 1.00 0.00 H new ATOM 865 N GLY A 42 17.116 -9.780 -12.132 1.00 0.00 N ATOM 866 CA GLY A 42 17.948 -8.787 -12.788 1.00 0.00 C ATOM 867 C GLY A 42 18.278 -9.155 -14.222 1.00 0.00 C ATOM 868 O GLY A 42 19.281 -8.697 -14.771 1.00 0.00 O ATOM 0 H GLY A 42 16.244 -9.417 -11.745 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.438 -7.824 -12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 42 18.874 -8.666 -12.226 1.00 0.00 H new ATOM 872 N SER A 43 17.436 -9.984 -14.831 1.00 0.00 N ATOM 873 CA SER A 43 17.649 -10.410 -16.210 1.00 0.00 C ATOM 874 C SER A 43 16.607 -9.799 -17.139 1.00 0.00 C ATOM 875 O SER A 43 16.879 -9.540 -18.311 1.00 0.00 O ATOM 876 CB SER A 43 17.608 -11.935 -16.309 1.00 0.00 C ATOM 877 OG SER A 43 18.598 -12.528 -15.485 1.00 0.00 O ATOM 0 H SER A 43 16.601 -10.374 -14.393 1.00 0.00 H new ATOM 0 HA SER A 43 18.633 -10.060 -16.521 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.622 -12.295 -16.014 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.762 -12.239 -17.344 1.00 0.00 H new ATOM 0 HG SER A 43 18.475 -12.229 -14.560 1.00 0.00 H new ATOM 883 N ILE A 44 15.417 -9.573 -16.605 1.00 0.00 N ATOM 884 CA ILE A 44 14.328 -8.993 -17.379 1.00 0.00 C ATOM 885 C ILE A 44 13.166 -8.578 -16.480 1.00 0.00 C ATOM 886 O ILE A 44 12.003 -8.835 -16.791 1.00 0.00 O ATOM 887 CB ILE A 44 13.822 -9.981 -18.450 1.00 0.00 C ATOM 888 CG1 ILE A 44 12.869 -9.274 -19.418 1.00 0.00 C ATOM 889 CG2 ILE A 44 13.142 -11.181 -17.801 1.00 0.00 C ATOM 890 CD1 ILE A 44 13.529 -8.844 -20.710 1.00 0.00 C ATOM 0 H ILE A 44 15.179 -9.783 -15.636 1.00 0.00 H new ATOM 0 HA ILE A 44 14.723 -8.105 -17.872 1.00 0.00 H new ATOM 0 HB ILE A 44 14.680 -10.346 -19.015 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.038 -9.940 -19.648 1.00 0.00 H new ATOM 0 HG13 ILE A 44 12.448 -8.398 -18.925 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.793 -11.864 -18.575 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.853 -11.697 -17.155 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.293 -10.841 -17.208 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.795 -8.350 -21.347 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.342 -8.152 -20.490 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.926 -9.719 -21.225 1.00 0.00 H new ATOM 902 N GLY A 45 13.489 -7.934 -15.364 1.00 0.00 N ATOM 903 CA GLY A 45 12.461 -7.493 -14.438 1.00 0.00 C ATOM 904 C GLY A 45 11.627 -6.357 -14.997 1.00 0.00 C ATOM 905 O GLY A 45 11.078 -6.463 -16.094 1.00 0.00 O ATOM 0 H GLY A 45 14.444 -7.709 -15.084 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.810 -8.333 -14.196 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.928 -7.173 -13.507 1.00 0.00 H new ATOM 909 N ARG A 46 11.534 -5.268 -14.242 1.00 0.00 N ATOM 910 CA ARG A 46 10.762 -4.106 -14.669 1.00 0.00 C ATOM 911 C ARG A 46 11.629 -2.851 -14.678 1.00 0.00 C ATOM 912 O ARG A 46 11.340 -1.939 -15.479 1.00 0.00 O ATOM 913 CB ARG A 46 9.557 -3.901 -13.748 1.00 0.00 C ATOM 914 CG ARG A 46 8.454 -4.928 -13.953 1.00 0.00 C ATOM 915 CD ARG A 46 7.841 -4.821 -15.341 1.00 0.00 C ATOM 916 NE ARG A 46 6.382 -4.765 -15.291 1.00 0.00 N ATOM 917 CZ ARG A 46 5.693 -3.672 -14.970 1.00 0.00 C ATOM 918 NH1 ARG A 46 6.325 -2.545 -14.669 1.00 0.00 N ATOM 919 NH2 ARG A 46 4.368 -3.706 -14.951 1.00 0.00 N ATOM 920 OXT ARG A 46 12.590 -2.792 -13.881 1.00 0.00 O ATOM 0 H ARG A 46 11.983 -5.165 -13.332 1.00 0.00 H new ATOM 0 HA ARG A 46 10.408 -4.289 -15.684 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.891 -3.941 -12.711 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.149 -2.904 -13.913 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.858 -5.930 -13.809 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.679 -4.786 -13.200 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.221 -3.928 -15.838 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.151 -5.676 -15.941 1.00 0.00 H new ATOM 0 HE ARG A 46 5.861 -5.613 -15.515 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.344 -2.513 -14.683 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.791 -1.711 -14.424 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.877 -4.569 -15.182 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.840 -2.869 -14.705 1.00 0.00 H new TER 934 ARG A 46