USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 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 18 THR OG1 : rot -130:sc= -0.971 USER MOD Set 1.2: A 21 MET CE :methyl -178:sc= -0.314 (180deg=-0.314) USER MOD Single : A 1 ASN : amide:sc= -0.0711 X(o=-0.071,f=0) USER MOD Single : A 1 ASN N :NH3+ -172:sc= 0 (180deg=-0.0754) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.1) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.305 K(o=-0.3,f=-1.6) USER MOD Single : A 15 THR OG1 : rot 93:sc= -0.25 USER MOD Single : A 22 MET CE :methyl -112:sc= -2.57! (180deg=-3.37!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.655 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0374 USER MOD Single : A 42 SER OG : rot -55:sc= 0.0366 USER MOD Single : A 43 MET CE :methyl -123:sc= -1.59 (180deg=-3.99!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -1.52 K(o=-1.5,f=-8!) USER MOD Single : A 53 THR OG1 : rot 104:sc= 1.17 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0276 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -149:sc= -0.118 (180deg=-0.96) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -14.801 -12.634 -3.871 1.00 0.00 N ATOM 2 CA ASN A 1 -14.458 -11.215 -4.175 1.00 0.00 C ATOM 3 C ASN A 1 -12.942 -11.047 -4.164 1.00 0.00 C ATOM 4 O ASN A 1 -12.263 -11.459 -3.223 1.00 0.00 O ATOM 5 CB ASN A 1 -15.080 -10.301 -3.119 1.00 0.00 C ATOM 6 CG ASN A 1 -16.587 -10.219 -3.341 1.00 0.00 C ATOM 7 OD1 ASN A 1 -17.075 -9.300 -3.998 1.00 0.00 O ATOM 8 ND2 ASN A 1 -17.361 -11.135 -2.826 1.00 0.00 N ATOM 0 H1 ASN A 1 -15.821 -12.782 -4.011 1.00 0.00 H new ATOM 0 H2 ASN A 1 -14.270 -13.263 -4.506 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.552 -12.848 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.847 -10.949 -5.158 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -14.869 -10.685 -2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -14.638 -9.306 -3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -18.370 -11.089 -2.968 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -16.957 -11.897 -2.281 1.00 0.00 H new ATOM 15 N GLN A 2 -12.420 -10.435 -5.224 1.00 0.00 N ATOM 16 CA GLN A 2 -10.978 -10.214 -5.332 1.00 0.00 C ATOM 17 C GLN A 2 -10.484 -9.337 -4.185 1.00 0.00 C ATOM 18 O GLN A 2 -11.274 -8.723 -3.469 1.00 0.00 O ATOM 19 CB GLN A 2 -10.637 -9.539 -6.664 1.00 0.00 C ATOM 20 CG GLN A 2 -11.425 -8.232 -6.799 1.00 0.00 C ATOM 21 CD GLN A 2 -11.830 -8.026 -8.255 1.00 0.00 C ATOM 22 OE1 GLN A 2 -12.885 -8.493 -8.685 1.00 0.00 O ATOM 23 NE2 GLN A 2 -11.046 -7.346 -9.047 1.00 0.00 N ATOM 0 H GLN A 2 -12.965 -10.086 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.485 -11.185 -5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.567 -9.337 -6.716 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -10.876 -10.206 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.311 -8.263 -6.165 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.818 -7.393 -6.458 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.172 -6.959 -8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.307 -7.201 -10.022 1.00 0.00 H new ATOM 32 N ALA A 3 -9.165 -9.287 -4.021 1.00 0.00 N ATOM 33 CA ALA A 3 -8.569 -8.483 -2.958 1.00 0.00 C ATOM 34 C ALA A 3 -7.704 -7.375 -3.550 1.00 0.00 C ATOM 35 O ALA A 3 -7.289 -7.443 -4.707 1.00 0.00 O ATOM 36 CB ALA A 3 -7.706 -9.356 -2.044 1.00 0.00 C ATOM 0 H ALA A 3 -8.494 -9.788 -4.604 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.378 -8.041 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.270 -8.740 -1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.323 -10.134 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.909 -9.817 -2.628 1.00 0.00 H new ATOM 42 N SER A 4 -7.437 -6.354 -2.740 1.00 0.00 N ATOM 43 CA SER A 4 -6.619 -5.231 -3.191 1.00 0.00 C ATOM 44 C SER A 4 -5.461 -4.997 -2.227 1.00 0.00 C ATOM 45 O SER A 4 -5.283 -5.732 -1.256 1.00 0.00 O ATOM 46 CB SER A 4 -7.460 -3.957 -3.279 1.00 0.00 C ATOM 47 OG SER A 4 -8.049 -3.872 -4.570 1.00 0.00 O ATOM 0 H SER A 4 -7.770 -6.280 -1.779 1.00 0.00 H new ATOM 0 HA SER A 4 -6.227 -5.475 -4.179 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.235 -3.965 -2.513 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.837 -3.082 -3.092 1.00 0.00 H new ATOM 0 HG SER A 4 -8.590 -3.057 -4.630 1.00 0.00 H new ATOM 53 N VAL A 5 -4.673 -3.962 -2.507 1.00 0.00 N ATOM 54 CA VAL A 5 -3.530 -3.634 -1.658 1.00 0.00 C ATOM 55 C VAL A 5 -3.757 -2.300 -0.955 1.00 0.00 C ATOM 56 O VAL A 5 -3.346 -1.249 -1.445 1.00 0.00 O ATOM 57 CB VAL A 5 -2.246 -3.541 -2.487 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.040 -3.448 -1.551 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.109 -4.786 -3.369 1.00 0.00 C ATOM 0 H VAL A 5 -4.802 -3.342 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.427 -4.428 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.289 -2.653 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.126 -3.382 -2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.133 -2.561 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.001 -4.335 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.194 -4.716 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.069 -5.675 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.967 -4.854 -4.038 1.00 0.00 H new ATOM 69 N VAL A 6 -4.415 -2.354 0.200 1.00 0.00 N ATOM 70 CA VAL A 6 -4.690 -1.138 0.960 1.00 0.00 C ATOM 71 C VAL A 6 -3.546 -0.847 1.925 1.00 0.00 C ATOM 72 O VAL A 6 -2.896 -1.758 2.437 1.00 0.00 O ATOM 73 CB VAL A 6 -5.994 -1.284 1.752 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.340 0.044 2.431 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.124 -1.669 0.796 1.00 0.00 C ATOM 0 H VAL A 6 -4.763 -3.213 0.625 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.788 -0.312 0.255 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.870 -2.057 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.268 -0.065 2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.536 0.326 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.463 0.818 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.054 -1.774 1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.241 -0.893 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.884 -2.615 0.311 1.00 0.00 H new ATOM 85 N ALA A 7 -3.310 0.439 2.163 1.00 0.00 N ATOM 86 CA ALA A 7 -2.241 0.855 3.067 1.00 0.00 C ATOM 87 C ALA A 7 -2.626 0.569 4.515 1.00 0.00 C ATOM 88 O ALA A 7 -3.713 0.931 4.967 1.00 0.00 O ATOM 89 CB ALA A 7 -1.962 2.350 2.911 1.00 0.00 C ATOM 0 H ALA A 7 -3.839 1.206 1.747 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.345 0.290 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.163 2.644 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.660 2.559 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.864 2.915 3.145 1.00 0.00 H new ATOM 95 N ASN A 8 -1.721 -0.085 5.236 1.00 0.00 N ATOM 96 CA ASN A 8 -1.973 -0.416 6.637 1.00 0.00 C ATOM 97 C ASN A 8 -1.117 0.455 7.552 1.00 0.00 C ATOM 98 O ASN A 8 -0.718 0.034 8.638 1.00 0.00 O ATOM 99 CB ASN A 8 -1.653 -1.887 6.906 1.00 0.00 C ATOM 100 CG ASN A 8 -2.280 -2.312 8.229 1.00 0.00 C ATOM 101 OD1 ASN A 8 -3.478 -2.587 8.296 1.00 0.00 O ATOM 102 ND2 ASN A 8 -1.534 -2.381 9.298 1.00 0.00 N ATOM 0 H ASN A 8 -0.816 -0.394 4.880 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.028 -0.232 6.842 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.035 -2.507 6.095 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.574 -2.035 6.939 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.944 -2.663 10.189 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.541 -2.153 9.243 1.00 0.00 H new ATOM 109 N GLN A 9 -0.839 1.675 7.099 1.00 0.00 N ATOM 110 CA GLN A 9 -0.029 2.605 7.882 1.00 0.00 C ATOM 111 C GLN A 9 0.127 3.926 7.133 1.00 0.00 C ATOM 112 O GLN A 9 -0.027 3.986 5.914 1.00 0.00 O ATOM 113 CB GLN A 9 1.362 2.015 8.150 1.00 0.00 C ATOM 114 CG GLN A 9 1.835 2.425 9.548 1.00 0.00 C ATOM 115 CD GLN A 9 3.347 2.621 9.538 1.00 0.00 C ATOM 116 OE1 GLN A 9 3.832 3.752 9.583 1.00 0.00 O ATOM 117 NE2 GLN A 9 4.128 1.578 9.479 1.00 0.00 N ATOM 0 H GLN A 9 -1.159 2.041 6.202 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.535 2.779 8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.328 0.928 8.071 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.068 2.368 7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.340 3.347 9.855 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.562 1.660 10.275 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.726 0.641 9.442 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.141 1.699 9.470 1.00 0.00 H new ATOM 126 N LEU A 10 0.431 4.984 7.878 1.00 0.00 N ATOM 127 CA LEU A 10 0.604 6.302 7.275 1.00 0.00 C ATOM 128 C LEU A 10 1.866 6.338 6.419 1.00 0.00 C ATOM 129 O LEU A 10 2.975 6.504 6.928 1.00 0.00 O ATOM 130 CB LEU A 10 0.704 7.378 8.357 1.00 0.00 C ATOM 131 CG LEU A 10 0.662 8.762 7.708 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.714 8.990 7.080 1.00 0.00 C ATOM 133 CD2 LEU A 10 0.919 9.831 8.772 1.00 0.00 C ATOM 0 H LEU A 10 0.562 4.957 8.889 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.265 6.499 6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.117 7.273 9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.629 7.257 8.920 1.00 0.00 H new ATOM 0 HG LEU A 10 1.429 8.824 6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.744 9.977 6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.899 8.228 6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.481 8.928 7.852 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.889 10.818 8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.152 9.768 9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.899 9.670 9.221 1.00 0.00 H new ATOM 145 N ILE A 11 1.685 6.182 5.111 1.00 0.00 N ATOM 146 CA ILE A 11 2.813 6.200 4.184 1.00 0.00 C ATOM 147 C ILE A 11 3.080 7.638 3.711 1.00 0.00 C ATOM 148 O ILE A 11 2.255 8.216 3.005 1.00 0.00 O ATOM 149 CB ILE A 11 2.514 5.327 2.961 1.00 0.00 C ATOM 150 CG1 ILE A 11 2.094 3.925 3.414 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.767 5.221 2.090 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.136 3.323 2.386 1.00 0.00 C ATOM 0 H ILE A 11 0.775 6.043 4.671 1.00 0.00 H new ATOM 0 HA ILE A 11 3.688 5.810 4.703 1.00 0.00 H new ATOM 0 HB ILE A 11 1.705 5.780 2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.972 3.289 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.612 3.976 4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.554 4.600 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.067 6.216 1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.575 4.772 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.837 2.325 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.253 3.956 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.634 3.258 1.419 1.00 0.00 H new ATOM 164 N PRO A 12 4.225 8.243 4.086 1.00 0.00 N ATOM 165 CA PRO A 12 4.538 9.622 3.667 1.00 0.00 C ATOM 166 C PRO A 12 5.099 9.691 2.249 1.00 0.00 C ATOM 167 O PRO A 12 5.719 8.743 1.763 1.00 0.00 O ATOM 168 CB PRO A 12 5.588 10.044 4.687 1.00 0.00 C ATOM 169 CG PRO A 12 6.231 8.769 5.219 1.00 0.00 C ATOM 170 CD PRO A 12 5.267 7.615 4.933 1.00 0.00 C ATOM 0 HA PRO A 12 3.656 10.262 3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.336 10.689 4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.132 10.613 5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.193 8.594 4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.422 8.853 6.289 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.764 6.794 4.416 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.846 7.205 5.851 1.00 0.00 H new ATOM 178 N ILE A 13 4.872 10.824 1.589 1.00 0.00 N ATOM 179 CA ILE A 13 5.355 11.013 0.224 1.00 0.00 C ATOM 180 C ILE A 13 6.882 10.907 0.177 1.00 0.00 C ATOM 181 O ILE A 13 7.566 11.142 1.172 1.00 0.00 O ATOM 182 CB ILE A 13 4.902 12.380 -0.315 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.317 12.507 -1.786 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.538 13.510 0.506 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.794 13.826 -2.361 1.00 0.00 C ATOM 0 H ILE A 13 4.361 11.619 1.973 1.00 0.00 H new ATOM 0 HA ILE A 13 4.933 10.229 -0.405 1.00 0.00 H new ATOM 0 HB ILE A 13 3.818 12.457 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.403 12.468 -1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.922 11.668 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.210 14.473 0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.233 13.419 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.624 13.442 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.092 13.911 -3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.706 13.848 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.211 14.660 -1.796 1.00 0.00 H new ATOM 197 N ASN A 14 7.403 10.548 -0.994 1.00 0.00 N ATOM 198 CA ASN A 14 8.847 10.409 -1.169 1.00 0.00 C ATOM 199 C ASN A 14 9.397 9.334 -0.235 1.00 0.00 C ATOM 200 O ASN A 14 10.528 9.424 0.244 1.00 0.00 O ATOM 201 CB ASN A 14 9.558 11.733 -0.878 1.00 0.00 C ATOM 202 CG ASN A 14 9.078 12.795 -1.863 1.00 0.00 C ATOM 203 OD1 ASN A 14 8.736 12.483 -3.003 1.00 0.00 O ATOM 204 ND2 ASN A 14 9.032 14.043 -1.486 1.00 0.00 N ATOM 0 H ASN A 14 6.853 10.349 -1.829 1.00 0.00 H new ATOM 0 HA ASN A 14 9.031 10.122 -2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.354 12.051 0.144 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.637 11.605 -0.962 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.712 14.761 -2.136 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.316 14.301 -0.541 1.00 0.00 H new ATOM 211 N THR A 15 8.580 8.314 0.018 1.00 0.00 N ATOM 212 CA THR A 15 8.990 7.222 0.896 1.00 0.00 C ATOM 213 C THR A 15 8.638 5.875 0.269 1.00 0.00 C ATOM 214 O THR A 15 7.685 5.764 -0.501 1.00 0.00 O ATOM 215 CB THR A 15 8.294 7.336 2.254 1.00 0.00 C ATOM 216 OG1 THR A 15 8.472 8.650 2.765 1.00 0.00 O ATOM 217 CG2 THR A 15 8.898 6.322 3.227 1.00 0.00 C ATOM 0 H THR A 15 7.640 8.221 -0.368 1.00 0.00 H new ATOM 0 HA THR A 15 10.069 7.289 1.035 1.00 0.00 H new ATOM 0 HB THR A 15 7.230 7.132 2.136 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.710 9.208 2.504 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.401 6.405 4.194 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.762 5.315 2.834 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.962 6.523 3.348 1.00 0.00 H new ATOM 225 N ALA A 16 9.420 4.855 0.611 1.00 0.00 N ATOM 226 CA ALA A 16 9.184 3.517 0.076 1.00 0.00 C ATOM 227 C ALA A 16 8.143 2.784 0.916 1.00 0.00 C ATOM 228 O ALA A 16 7.999 3.036 2.112 1.00 0.00 O ATOM 229 CB ALA A 16 10.481 2.705 0.072 1.00 0.00 C ATOM 0 H ALA A 16 10.213 4.927 1.248 1.00 0.00 H new ATOM 0 HA ALA A 16 8.819 3.623 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.286 1.711 -0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.223 3.208 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.858 2.617 1.091 1.00 0.00 H new ATOM 235 N LEU A 17 7.417 1.874 0.272 1.00 0.00 N ATOM 236 CA LEU A 17 6.388 1.105 0.966 1.00 0.00 C ATOM 237 C LEU A 17 7.004 -0.111 1.650 1.00 0.00 C ATOM 238 O LEU A 17 8.174 -0.433 1.439 1.00 0.00 O ATOM 239 CB LEU A 17 5.315 0.632 -0.019 1.00 0.00 C ATOM 240 CG LEU A 17 4.786 1.826 -0.813 1.00 0.00 C ATOM 241 CD1 LEU A 17 3.985 1.327 -2.016 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.881 2.675 0.085 1.00 0.00 C ATOM 0 H LEU A 17 7.520 1.653 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 17 5.932 1.753 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.732 -0.112 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.499 0.150 0.520 1.00 0.00 H new ATOM 0 HG LEU A 17 5.624 2.430 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.608 2.179 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.628 0.723 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.147 0.722 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.503 3.527 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.044 2.070 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.451 3.033 0.942 1.00 0.00 H new ATOM 254 N THR A 18 6.203 -0.784 2.470 1.00 0.00 N ATOM 255 CA THR A 18 6.678 -1.968 3.181 1.00 0.00 C ATOM 256 C THR A 18 5.526 -2.935 3.431 1.00 0.00 C ATOM 257 O THR A 18 4.356 -2.583 3.277 1.00 0.00 O ATOM 258 CB THR A 18 7.302 -1.577 4.522 1.00 0.00 C ATOM 259 OG1 THR A 18 6.318 -0.957 5.337 1.00 0.00 O ATOM 260 CG2 THR A 18 8.459 -0.605 4.286 1.00 0.00 C ATOM 0 H THR A 18 5.232 -0.534 2.658 1.00 0.00 H new ATOM 0 HA THR A 18 7.432 -2.452 2.561 1.00 0.00 H new ATOM 0 HB THR A 18 7.678 -2.470 5.022 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.671 -0.114 5.692 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.902 -0.328 5.242 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.214 -1.083 3.661 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.087 0.289 3.786 1.00 0.00 H new ATOM 268 N LEU A 19 5.870 -4.160 3.820 1.00 0.00 N ATOM 269 CA LEU A 19 4.856 -5.175 4.092 1.00 0.00 C ATOM 270 C LEU A 19 3.958 -4.733 5.245 1.00 0.00 C ATOM 271 O LEU A 19 2.770 -5.055 5.285 1.00 0.00 O ATOM 272 CB LEU A 19 5.517 -6.512 4.457 1.00 0.00 C ATOM 273 CG LEU A 19 5.989 -7.246 3.191 1.00 0.00 C ATOM 274 CD1 LEU A 19 4.791 -7.550 2.287 1.00 0.00 C ATOM 275 CD2 LEU A 19 6.997 -6.377 2.429 1.00 0.00 C ATOM 0 H LEU A 19 6.832 -4.472 3.953 1.00 0.00 H new ATOM 0 HA LEU A 19 4.256 -5.302 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.365 -6.336 5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.810 -7.136 5.003 1.00 0.00 H new ATOM 0 HG LEU A 19 6.467 -8.181 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.133 -8.070 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.081 -8.179 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.305 -6.617 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.327 -6.903 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.525 -5.437 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.857 -6.172 3.067 1.00 0.00 H new ATOM 287 N VAL A 20 4.541 -3.991 6.182 1.00 0.00 N ATOM 288 CA VAL A 20 3.788 -3.506 7.336 1.00 0.00 C ATOM 289 C VAL A 20 2.742 -2.482 6.899 1.00 0.00 C ATOM 290 O VAL A 20 1.681 -2.360 7.511 1.00 0.00 O ATOM 291 CB VAL A 20 4.726 -2.857 8.357 1.00 0.00 C ATOM 292 CG1 VAL A 20 3.949 -2.539 9.638 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.871 -3.818 8.685 1.00 0.00 C ATOM 0 H VAL A 20 5.523 -3.714 6.167 1.00 0.00 H new ATOM 0 HA VAL A 20 3.291 -4.361 7.795 1.00 0.00 H new ATOM 0 HB VAL A 20 5.132 -1.936 7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.618 -2.077 10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.134 -1.853 9.408 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.542 -3.460 10.055 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.538 -3.355 9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.464 -4.740 9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.427 -4.045 7.776 1.00 0.00 H new ATOM 303 N MET A 21 3.055 -1.747 5.834 1.00 0.00 N ATOM 304 CA MET A 21 2.133 -0.733 5.325 1.00 0.00 C ATOM 305 C MET A 21 1.345 -1.272 4.134 1.00 0.00 C ATOM 306 O MET A 21 0.971 -0.524 3.230 1.00 0.00 O ATOM 307 CB MET A 21 2.899 0.519 4.893 1.00 0.00 C ATOM 308 CG MET A 21 3.789 0.996 6.042 1.00 0.00 C ATOM 309 SD MET A 21 4.180 2.749 5.820 1.00 0.00 S ATOM 310 CE MET A 21 5.426 2.542 4.524 1.00 0.00 C ATOM 0 H MET A 21 3.927 -1.832 5.312 1.00 0.00 H new ATOM 0 HA MET A 21 1.442 -0.476 6.128 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.507 0.301 4.015 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.200 1.306 4.610 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.282 0.844 6.995 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.707 0.409 6.072 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.836 3.515 4.255 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.227 1.899 4.889 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.966 2.087 3.647 1.00 0.00 H new ATOM 320 N MET A 22 1.093 -2.579 4.144 1.00 0.00 N ATOM 321 CA MET A 22 0.343 -3.210 3.060 1.00 0.00 C ATOM 322 C MET A 22 -0.430 -4.416 3.582 1.00 0.00 C ATOM 323 O MET A 22 -0.023 -5.061 4.549 1.00 0.00 O ATOM 324 CB MET A 22 1.285 -3.670 1.945 1.00 0.00 C ATOM 325 CG MET A 22 1.874 -2.448 1.235 1.00 0.00 C ATOM 326 SD MET A 22 2.208 -2.855 -0.500 1.00 0.00 S ATOM 327 CE MET A 22 3.263 -4.297 -0.207 1.00 0.00 C ATOM 0 H MET A 22 1.393 -3.216 4.882 1.00 0.00 H new ATOM 0 HA MET A 22 -0.353 -2.471 2.662 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.085 -4.283 2.360 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.744 -4.292 1.232 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.180 -1.610 1.295 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.794 -2.136 1.729 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.284 -4.069 -0.513 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.249 -4.549 0.853 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.892 -5.143 -0.785 1.00 0.00 H new ATOM 337 N ARG A 23 -1.549 -4.713 2.930 1.00 0.00 N ATOM 338 CA ARG A 23 -2.376 -5.847 3.335 1.00 0.00 C ATOM 339 C ARG A 23 -3.289 -6.275 2.189 1.00 0.00 C ATOM 340 O ARG A 23 -3.229 -5.725 1.091 1.00 0.00 O ATOM 341 CB ARG A 23 -3.234 -5.480 4.548 1.00 0.00 C ATOM 342 CG ARG A 23 -4.054 -4.226 4.237 1.00 0.00 C ATOM 343 CD ARG A 23 -4.777 -3.763 5.502 1.00 0.00 C ATOM 344 NE ARG A 23 -6.086 -4.401 5.610 1.00 0.00 N ATOM 345 CZ ARG A 23 -6.899 -4.130 6.627 1.00 0.00 C ATOM 346 NH1 ARG A 23 -7.464 -2.956 6.716 1.00 0.00 N ATOM 347 NH2 ARG A 23 -7.131 -5.036 7.537 1.00 0.00 N ATOM 0 H ARG A 23 -1.902 -4.192 2.128 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.713 -6.671 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.897 -6.307 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.598 -5.305 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.402 -3.434 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.777 -4.437 3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.176 -4.003 6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.895 -2.680 5.484 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.381 -5.065 4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.282 -2.247 6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.088 -2.748 7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.689 -5.953 7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.755 -4.828 8.317 1.00 0.00 H new ATOM 361 N SER A 24 -4.134 -7.267 2.460 1.00 0.00 N ATOM 362 CA SER A 24 -5.057 -7.765 1.444 1.00 0.00 C ATOM 363 C SER A 24 -6.500 -7.615 1.918 1.00 0.00 C ATOM 364 O SER A 24 -6.996 -8.419 2.707 1.00 0.00 O ATOM 365 CB SER A 24 -4.782 -9.239 1.149 1.00 0.00 C ATOM 366 OG SER A 24 -5.232 -9.546 -0.164 1.00 0.00 O ATOM 0 H SER A 24 -4.199 -7.737 3.363 1.00 0.00 H new ATOM 0 HA SER A 24 -4.908 -7.179 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.716 -9.447 1.239 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.292 -9.869 1.878 1.00 0.00 H new ATOM 0 HG SER A 24 -5.056 -10.490 -0.358 1.00 0.00 H new ATOM 372 N GLU A 25 -7.168 -6.575 1.427 1.00 0.00 N ATOM 373 CA GLU A 25 -8.557 -6.327 1.805 1.00 0.00 C ATOM 374 C GLU A 25 -9.367 -5.867 0.598 1.00 0.00 C ATOM 375 O GLU A 25 -8.866 -5.149 -0.267 1.00 0.00 O ATOM 376 CB GLU A 25 -8.632 -5.253 2.893 1.00 0.00 C ATOM 377 CG GLU A 25 -9.962 -5.375 3.640 1.00 0.00 C ATOM 378 CD GLU A 25 -9.789 -6.298 4.841 1.00 0.00 C ATOM 379 OE1 GLU A 25 -8.873 -6.068 5.613 1.00 0.00 O ATOM 380 OE2 GLU A 25 -10.575 -7.222 4.971 1.00 0.00 O ATOM 0 H GLU A 25 -6.776 -5.897 0.774 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.972 -7.260 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.800 -5.366 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.542 -4.262 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.298 -4.392 3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.730 -5.768 2.974 1.00 0.00 H new ATOM 387 N VAL A 26 -10.627 -6.290 0.551 1.00 0.00 N ATOM 388 CA VAL A 26 -11.506 -5.918 -0.555 1.00 0.00 C ATOM 389 C VAL A 26 -11.949 -4.466 -0.414 1.00 0.00 C ATOM 390 O VAL A 26 -12.431 -4.047 0.640 1.00 0.00 O ATOM 391 CB VAL A 26 -12.744 -6.818 -0.585 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.547 -6.543 -1.858 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.310 -8.286 -0.568 1.00 0.00 C ATOM 0 H VAL A 26 -11.060 -6.885 1.258 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.949 -6.041 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.362 -6.610 0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.428 -7.184 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.858 -5.498 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.928 -6.750 -2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.192 -8.926 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.690 -8.492 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.738 -8.486 0.338 1.00 0.00 H new ATOM 403 N VAL A 27 -11.782 -3.701 -1.489 1.00 0.00 N ATOM 404 CA VAL A 27 -12.168 -2.292 -1.478 1.00 0.00 C ATOM 405 C VAL A 27 -12.464 -1.812 -2.896 1.00 0.00 C ATOM 406 O VAL A 27 -11.943 -2.354 -3.871 1.00 0.00 O ATOM 407 CB VAL A 27 -11.048 -1.435 -0.887 1.00 0.00 C ATOM 408 CG1 VAL A 27 -10.864 -1.783 0.591 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.744 -1.709 -1.639 1.00 0.00 C ATOM 0 H VAL A 27 -11.386 -4.028 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.063 -2.192 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.310 -0.381 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.066 -1.172 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.792 -1.588 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.603 -2.837 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.946 -1.098 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.483 -2.763 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.873 -1.461 -2.693 1.00 0.00 H new ATOM 419 N THR A 28 -13.305 -0.786 -2.998 1.00 0.00 N ATOM 420 CA THR A 28 -13.663 -0.237 -4.303 1.00 0.00 C ATOM 421 C THR A 28 -13.130 1.197 -4.441 1.00 0.00 C ATOM 422 O THR A 28 -13.189 1.972 -3.488 1.00 0.00 O ATOM 423 CB THR A 28 -15.184 -0.222 -4.478 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.511 0.431 -5.696 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.827 0.522 -3.308 1.00 0.00 C ATOM 0 H THR A 28 -13.747 -0.323 -2.204 1.00 0.00 H new ATOM 0 HA THR A 28 -13.216 -0.869 -5.071 1.00 0.00 H new ATOM 0 HB THR A 28 -15.558 -1.245 -4.502 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.484 0.440 -5.811 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.910 0.532 -3.434 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.575 0.019 -2.374 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.456 1.546 -3.280 1.00 0.00 H new ATOM 433 N PRO A 29 -12.602 1.576 -5.621 1.00 0.00 N ATOM 434 CA PRO A 29 -12.500 0.695 -6.809 1.00 0.00 C ATOM 435 C PRO A 29 -11.307 -0.254 -6.731 1.00 0.00 C ATOM 436 O PRO A 29 -10.233 0.111 -6.251 1.00 0.00 O ATOM 437 CB PRO A 29 -12.327 1.697 -7.943 1.00 0.00 C ATOM 438 CG PRO A 29 -11.756 2.969 -7.329 1.00 0.00 C ATOM 439 CD PRO A 29 -12.066 2.935 -5.829 1.00 0.00 C ATOM 0 HA PRO A 29 -13.362 0.037 -6.922 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.657 1.303 -8.707 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.282 1.898 -8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.681 3.027 -7.497 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.199 3.851 -7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.172 3.110 -5.230 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.791 3.700 -5.551 1.00 0.00 H new ATOM 447 N VAL A 30 -11.510 -1.480 -7.206 1.00 0.00 N ATOM 448 CA VAL A 30 -10.453 -2.483 -7.187 1.00 0.00 C ATOM 449 C VAL A 30 -9.251 -2.022 -8.007 1.00 0.00 C ATOM 450 O VAL A 30 -9.174 -2.258 -9.212 1.00 0.00 O ATOM 451 CB VAL A 30 -10.966 -3.811 -7.753 1.00 0.00 C ATOM 452 CG1 VAL A 30 -11.945 -4.442 -6.761 1.00 0.00 C ATOM 453 CG2 VAL A 30 -11.676 -3.571 -9.093 1.00 0.00 C ATOM 0 H VAL A 30 -12.392 -1.800 -7.606 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.146 -2.622 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.122 -4.482 -7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.311 -5.387 -7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.437 -4.622 -5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.785 -3.767 -6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.038 -4.520 -9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.519 -2.896 -8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.977 -3.126 -9.801 1.00 0.00 H new ATOM 463 N GLY A 31 -8.309 -1.365 -7.335 1.00 0.00 N ATOM 464 CA GLY A 31 -7.109 -0.876 -8.007 1.00 0.00 C ATOM 465 C GLY A 31 -6.126 -2.018 -8.242 1.00 0.00 C ATOM 466 O GLY A 31 -6.382 -2.925 -9.034 1.00 0.00 O ATOM 0 H GLY A 31 -8.352 -1.161 -6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.379 -0.419 -8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.637 -0.101 -7.403 1.00 0.00 H new ATOM 470 N ILE A 32 -4.997 -1.965 -7.539 1.00 0.00 N ATOM 471 CA ILE A 32 -3.980 -3.004 -7.672 1.00 0.00 C ATOM 472 C ILE A 32 -4.391 -4.246 -6.868 1.00 0.00 C ATOM 473 O ILE A 32 -4.899 -4.118 -5.753 1.00 0.00 O ATOM 474 CB ILE A 32 -2.630 -2.493 -7.158 1.00 0.00 C ATOM 475 CG1 ILE A 32 -2.279 -1.182 -7.871 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.543 -3.533 -7.440 1.00 0.00 C ATOM 477 CD1 ILE A 32 -1.071 -0.534 -7.192 1.00 0.00 C ATOM 0 H ILE A 32 -4.765 -1.223 -6.879 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.888 -3.266 -8.726 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.693 -2.321 -6.084 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.058 -1.375 -8.921 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.131 -0.503 -7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.584 -3.166 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.792 -4.466 -6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.477 -3.709 -8.514 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.824 0.398 -7.701 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.308 -0.326 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.219 -1.212 -7.242 1.00 0.00 H new ATOM 489 N PRO A 33 -4.184 -5.463 -7.406 1.00 0.00 N ATOM 490 CA PRO A 33 -4.556 -6.697 -6.689 1.00 0.00 C ATOM 491 C PRO A 33 -3.528 -7.091 -5.630 1.00 0.00 C ATOM 492 O PRO A 33 -2.460 -6.490 -5.528 1.00 0.00 O ATOM 493 CB PRO A 33 -4.603 -7.728 -7.809 1.00 0.00 C ATOM 494 CG PRO A 33 -3.713 -7.208 -8.930 1.00 0.00 C ATOM 495 CD PRO A 33 -3.575 -5.694 -8.739 1.00 0.00 C ATOM 0 HA PRO A 33 -5.490 -6.594 -6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.252 -8.697 -7.456 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.625 -7.868 -8.161 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.736 -7.690 -8.899 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.149 -7.434 -9.903 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.532 -5.378 -8.765 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.095 -5.141 -9.521 1.00 0.00 H new ATOM 503 N ALA A 34 -3.866 -8.111 -4.846 1.00 0.00 N ATOM 504 CA ALA A 34 -2.965 -8.581 -3.795 1.00 0.00 C ATOM 505 C ALA A 34 -2.019 -9.669 -4.310 1.00 0.00 C ATOM 506 O ALA A 34 -1.372 -10.360 -3.522 1.00 0.00 O ATOM 507 CB ALA A 34 -3.767 -9.141 -2.619 1.00 0.00 C ATOM 0 H ALA A 34 -4.745 -8.623 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.373 -7.725 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.083 -9.487 -1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.410 -8.360 -2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.380 -9.975 -2.961 1.00 0.00 H new ATOM 513 N GLU A 35 -1.933 -9.821 -5.634 1.00 0.00 N ATOM 514 CA GLU A 35 -1.052 -10.831 -6.214 1.00 0.00 C ATOM 515 C GLU A 35 0.343 -10.262 -6.494 1.00 0.00 C ATOM 516 O GLU A 35 1.130 -10.867 -7.221 1.00 0.00 O ATOM 517 CB GLU A 35 -1.640 -11.362 -7.523 1.00 0.00 C ATOM 518 CG GLU A 35 -2.955 -12.091 -7.234 1.00 0.00 C ATOM 519 CD GLU A 35 -3.334 -12.951 -8.434 1.00 0.00 C ATOM 520 OE1 GLU A 35 -3.095 -12.517 -9.549 1.00 0.00 O ATOM 521 OE2 GLU A 35 -3.859 -14.032 -8.221 1.00 0.00 O ATOM 0 H GLU A 35 -2.454 -9.266 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.965 -11.640 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.813 -10.539 -8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.934 -12.040 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.850 -12.714 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.745 -11.369 -7.026 1.00 0.00 H new ATOM 528 N ASP A 36 0.649 -9.098 -5.916 1.00 0.00 N ATOM 529 CA ASP A 36 1.956 -8.481 -6.126 1.00 0.00 C ATOM 530 C ASP A 36 2.416 -7.749 -4.868 1.00 0.00 C ATOM 531 O ASP A 36 3.149 -6.764 -4.941 1.00 0.00 O ATOM 532 CB ASP A 36 1.896 -7.487 -7.286 1.00 0.00 C ATOM 533 CG ASP A 36 1.816 -8.247 -8.605 1.00 0.00 C ATOM 534 OD1 ASP A 36 2.712 -9.030 -8.871 1.00 0.00 O ATOM 535 OD2 ASP A 36 0.857 -8.035 -9.331 1.00 0.00 O ATOM 0 H ASP A 36 0.020 -8.573 -5.309 1.00 0.00 H new ATOM 0 HA ASP A 36 2.666 -9.274 -6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.029 -6.836 -7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.778 -6.847 -7.276 1.00 0.00 H new ATOM 540 N ILE A 37 1.984 -8.243 -3.710 1.00 0.00 N ATOM 541 CA ILE A 37 2.365 -7.628 -2.442 1.00 0.00 C ATOM 542 C ILE A 37 3.891 -7.660 -2.244 1.00 0.00 C ATOM 543 O ILE A 37 4.483 -6.640 -1.891 1.00 0.00 O ATOM 544 CB ILE A 37 1.666 -8.327 -1.268 1.00 0.00 C ATOM 545 CG1 ILE A 37 0.153 -8.280 -1.486 1.00 0.00 C ATOM 546 CG2 ILE A 37 2.005 -7.612 0.044 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.507 -9.460 -0.770 1.00 0.00 C ATOM 0 H ILE A 37 1.377 -9.058 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 37 2.046 -6.586 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 37 2.005 -9.361 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.250 -7.341 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.072 -8.317 -2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.505 -8.114 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.083 -7.636 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.669 -6.577 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.585 -9.424 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.113 -10.395 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.294 -9.403 0.297 1.00 0.00 H new ATOM 559 N PRO A 38 4.565 -8.808 -2.469 1.00 0.00 N ATOM 560 CA PRO A 38 6.031 -8.879 -2.300 1.00 0.00 C ATOM 561 C PRO A 38 6.796 -8.218 -3.449 1.00 0.00 C ATOM 562 O PRO A 38 7.981 -7.910 -3.324 1.00 0.00 O ATOM 563 CB PRO A 38 6.293 -10.379 -2.265 1.00 0.00 C ATOM 564 CG PRO A 38 5.129 -11.046 -2.982 1.00 0.00 C ATOM 565 CD PRO A 38 3.940 -10.085 -2.901 1.00 0.00 C ATOM 0 HA PRO A 38 6.369 -8.346 -1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.237 -10.618 -2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.369 -10.734 -1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.385 -11.255 -4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.885 -12.001 -2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.439 -9.983 -3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.192 -10.429 -2.187 1.00 0.00 H new ATOM 573 N ARG A 39 6.107 -7.998 -4.568 1.00 0.00 N ATOM 574 CA ARG A 39 6.736 -7.368 -5.726 1.00 0.00 C ATOM 575 C ARG A 39 6.747 -5.846 -5.577 1.00 0.00 C ATOM 576 O ARG A 39 7.592 -5.162 -6.152 1.00 0.00 O ATOM 577 CB ARG A 39 5.986 -7.737 -7.008 1.00 0.00 C ATOM 578 CG ARG A 39 6.372 -9.154 -7.436 1.00 0.00 C ATOM 579 CD ARG A 39 6.239 -9.285 -8.953 1.00 0.00 C ATOM 580 NE ARG A 39 6.533 -10.649 -9.382 1.00 0.00 N ATOM 581 CZ ARG A 39 7.550 -10.906 -10.200 1.00 0.00 C ATOM 582 NH1 ARG A 39 7.733 -10.171 -11.263 1.00 0.00 N ATOM 583 NH2 ARG A 39 8.364 -11.892 -9.940 1.00 0.00 N ATOM 0 H ARG A 39 5.125 -8.243 -4.696 1.00 0.00 H new ATOM 0 HA ARG A 39 7.762 -7.731 -5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.910 -7.676 -6.843 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.228 -7.028 -7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.396 -9.371 -7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.730 -9.882 -6.940 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.229 -9.012 -9.259 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.920 -8.590 -9.444 1.00 0.00 H new ATOM 0 HE ARG A 39 5.950 -11.417 -9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.096 -9.400 -11.466 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.513 -10.367 -11.891 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.221 -12.466 -9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.144 -12.089 -10.568 1.00 0.00 H new ATOM 597 N LEU A 40 5.797 -5.322 -4.801 1.00 0.00 N ATOM 598 CA LEU A 40 5.710 -3.878 -4.590 1.00 0.00 C ATOM 599 C LEU A 40 6.380 -3.482 -3.274 1.00 0.00 C ATOM 600 O LEU A 40 5.941 -2.556 -2.592 1.00 0.00 O ATOM 601 CB LEU A 40 4.248 -3.429 -4.556 1.00 0.00 C ATOM 602 CG LEU A 40 3.743 -3.214 -5.983 1.00 0.00 C ATOM 603 CD1 LEU A 40 3.107 -4.504 -6.501 1.00 0.00 C ATOM 604 CD2 LEU A 40 2.700 -2.093 -5.990 1.00 0.00 C ATOM 0 H LEU A 40 5.086 -5.868 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 40 6.224 -3.390 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.638 -4.180 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.154 -2.506 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 40 4.579 -2.939 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.747 -4.349 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.849 -5.303 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.271 -4.781 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.339 -1.938 -7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.865 -2.369 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.153 -1.172 -5.622 1.00 0.00 H new ATOM 616 N VAL A 41 7.449 -4.193 -2.925 1.00 0.00 N ATOM 617 CA VAL A 41 8.170 -3.902 -1.689 1.00 0.00 C ATOM 618 C VAL A 41 9.165 -2.766 -1.911 1.00 0.00 C ATOM 619 O VAL A 41 9.901 -2.748 -2.897 1.00 0.00 O ATOM 620 CB VAL A 41 8.923 -5.144 -1.199 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.537 -4.867 0.176 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.949 -6.319 -1.090 1.00 0.00 C ATOM 0 H VAL A 41 7.831 -4.964 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 41 7.441 -3.604 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 41 9.715 -5.387 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.071 -5.752 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.231 -4.030 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.746 -4.621 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.483 -7.203 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.157 -6.071 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.512 -6.521 -2.068 1.00 0.00 H new ATOM 632 N SER A 42 9.176 -1.817 -0.977 1.00 0.00 N ATOM 633 CA SER A 42 10.083 -0.674 -1.070 1.00 0.00 C ATOM 634 C SER A 42 9.802 0.129 -2.338 1.00 0.00 C ATOM 635 O SER A 42 10.714 0.665 -2.969 1.00 0.00 O ATOM 636 CB SER A 42 11.539 -1.142 -1.086 1.00 0.00 C ATOM 637 OG SER A 42 12.380 -0.073 -0.672 1.00 0.00 O ATOM 0 H SER A 42 8.573 -1.816 -0.154 1.00 0.00 H new ATOM 0 HA SER A 42 9.917 -0.043 -0.197 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.665 -1.998 -0.423 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.816 -1.471 -2.087 1.00 0.00 H new ATOM 0 HG SER A 42 12.218 0.709 -1.239 1.00 0.00 H new ATOM 643 N MET A 43 8.525 0.208 -2.703 1.00 0.00 N ATOM 644 CA MET A 43 8.128 0.949 -3.896 1.00 0.00 C ATOM 645 C MET A 43 7.963 2.431 -3.573 1.00 0.00 C ATOM 646 O MET A 43 7.276 2.802 -2.622 1.00 0.00 O ATOM 647 CB MET A 43 6.806 0.411 -4.447 1.00 0.00 C ATOM 648 CG MET A 43 7.057 -0.908 -5.179 1.00 0.00 C ATOM 649 SD MET A 43 7.949 -0.583 -6.719 1.00 0.00 S ATOM 650 CE MET A 43 6.514 -0.114 -7.717 1.00 0.00 C ATOM 0 H MET A 43 7.755 -0.227 -2.196 1.00 0.00 H new ATOM 0 HA MET A 43 8.911 0.824 -4.644 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.096 0.259 -3.634 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.361 1.137 -5.127 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.635 -1.583 -4.547 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.110 -1.404 -5.392 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.454 -0.759 -8.594 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.606 -0.223 -7.123 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.616 0.923 -8.036 1.00 0.00 H new ATOM 660 N GLN A 44 8.603 3.275 -4.378 1.00 0.00 N ATOM 661 CA GLN A 44 8.522 4.718 -4.171 1.00 0.00 C ATOM 662 C GLN A 44 7.232 5.270 -4.769 1.00 0.00 C ATOM 663 O GLN A 44 6.899 5.000 -5.923 1.00 0.00 O ATOM 664 CB GLN A 44 9.714 5.422 -4.825 1.00 0.00 C ATOM 665 CG GLN A 44 11.017 4.850 -4.261 1.00 0.00 C ATOM 666 CD GLN A 44 12.114 4.947 -5.314 1.00 0.00 C ATOM 667 OE1 GLN A 44 12.207 4.100 -6.203 1.00 0.00 O ATOM 668 NE2 GLN A 44 12.959 5.940 -5.268 1.00 0.00 N ATOM 0 H GLN A 44 9.177 2.989 -5.171 1.00 0.00 H new ATOM 0 HA GLN A 44 8.535 4.904 -3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.682 5.285 -5.906 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.664 6.495 -4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.309 5.398 -3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.872 3.811 -3.966 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.882 6.642 -4.532 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.697 6.015 -5.968 1.00 0.00 H new ATOM 677 N VAL A 45 6.507 6.046 -3.968 1.00 0.00 N ATOM 678 CA VAL A 45 5.250 6.633 -4.425 1.00 0.00 C ATOM 679 C VAL A 45 5.464 8.081 -4.853 1.00 0.00 C ATOM 680 O VAL A 45 6.541 8.647 -4.670 1.00 0.00 O ATOM 681 CB VAL A 45 4.204 6.592 -3.310 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.853 5.137 -2.991 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.766 7.266 -2.056 1.00 0.00 C ATOM 0 H VAL A 45 6.764 6.281 -3.009 1.00 0.00 H new ATOM 0 HA VAL A 45 4.896 6.051 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 45 3.308 7.120 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.108 5.108 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.451 4.656 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.750 4.609 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.020 7.236 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.663 6.739 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.015 8.303 -2.281 1.00 0.00 H new ATOM 693 N ASN A 46 4.421 8.675 -5.427 1.00 0.00 N ATOM 694 CA ASN A 46 4.500 10.061 -5.880 1.00 0.00 C ATOM 695 C ASN A 46 3.710 10.971 -4.946 1.00 0.00 C ATOM 696 O ASN A 46 4.080 12.123 -4.718 1.00 0.00 O ATOM 697 CB ASN A 46 3.941 10.195 -7.299 1.00 0.00 C ATOM 698 CG ASN A 46 2.531 9.617 -7.348 1.00 0.00 C ATOM 699 OD1 ASN A 46 2.354 8.401 -7.423 1.00 0.00 O ATOM 700 ND2 ASN A 46 1.507 10.424 -7.309 1.00 0.00 N ATOM 0 H ASN A 46 3.520 8.224 -5.588 1.00 0.00 H new ATOM 0 HA ASN A 46 5.549 10.357 -5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.926 11.243 -7.598 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.585 9.671 -8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.560 10.048 -7.341 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.654 11.431 -7.247 1.00 0.00 H new ATOM 707 N ARG A 47 2.616 10.440 -4.408 1.00 0.00 N ATOM 708 CA ARG A 47 1.775 11.212 -3.496 1.00 0.00 C ATOM 709 C ARG A 47 1.671 10.511 -2.145 1.00 0.00 C ATOM 710 O ARG A 47 2.283 9.466 -1.921 1.00 0.00 O ATOM 711 CB ARG A 47 0.368 11.386 -4.078 1.00 0.00 C ATOM 712 CG ARG A 47 -0.238 10.012 -4.394 1.00 0.00 C ATOM 713 CD ARG A 47 -1.693 9.967 -3.920 1.00 0.00 C ATOM 714 NE ARG A 47 -2.550 10.744 -4.812 1.00 0.00 N ATOM 715 CZ ARG A 47 -3.731 11.199 -4.402 1.00 0.00 C ATOM 716 NH1 ARG A 47 -3.806 11.953 -3.340 1.00 0.00 N ATOM 717 NH2 ARG A 47 -4.814 10.891 -5.061 1.00 0.00 N ATOM 0 H ARG A 47 2.293 9.489 -4.584 1.00 0.00 H new ATOM 0 HA ARG A 47 2.235 12.191 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.266 11.918 -3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.411 11.991 -4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.189 9.820 -5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.339 9.228 -3.903 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.038 8.934 -3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.763 10.361 -2.906 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.238 10.941 -5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.959 12.193 -2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.711 12.302 -3.025 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.756 10.301 -5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.719 11.240 -4.746 1.00 0.00 H new ATOM 731 N ALA A 48 0.888 11.099 -1.247 1.00 0.00 N ATOM 732 CA ALA A 48 0.706 10.526 0.084 1.00 0.00 C ATOM 733 C ALA A 48 -0.331 9.407 0.047 1.00 0.00 C ATOM 734 O ALA A 48 -1.337 9.496 -0.656 1.00 0.00 O ATOM 735 CB ALA A 48 0.243 11.599 1.072 1.00 0.00 C ATOM 0 H ALA A 48 0.373 11.964 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 48 1.665 10.123 0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.113 11.154 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.991 12.390 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.705 12.019 0.735 1.00 0.00 H new ATOM 741 N VAL A 49 -0.070 8.352 0.813 1.00 0.00 N ATOM 742 CA VAL A 49 -0.984 7.214 0.867 1.00 0.00 C ATOM 743 C VAL A 49 -1.212 6.784 2.321 1.00 0.00 C ATOM 744 O VAL A 49 -0.468 5.960 2.850 1.00 0.00 O ATOM 745 CB VAL A 49 -0.412 6.030 0.081 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.458 4.918 -0.006 1.00 0.00 C ATOM 747 CG2 VAL A 49 -0.039 6.488 -1.331 1.00 0.00 C ATOM 0 H VAL A 49 0.759 8.260 1.400 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.932 7.519 0.423 1.00 0.00 H new ATOM 0 HB VAL A 49 0.476 5.654 0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.049 4.077 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.725 4.590 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.347 5.293 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.368 5.646 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.927 6.865 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.708 7.279 -1.271 1.00 0.00 H new ATOM 757 N PRO A 50 -2.242 7.334 2.991 1.00 0.00 N ATOM 758 CA PRO A 50 -2.532 6.979 4.393 1.00 0.00 C ATOM 759 C PRO A 50 -3.295 5.663 4.521 1.00 0.00 C ATOM 760 O PRO A 50 -3.473 4.934 3.546 1.00 0.00 O ATOM 761 CB PRO A 50 -3.389 8.151 4.856 1.00 0.00 C ATOM 762 CG PRO A 50 -4.021 8.762 3.610 1.00 0.00 C ATOM 763 CD PRO A 50 -3.175 8.328 2.409 1.00 0.00 C ATOM 0 HA PRO A 50 -1.627 6.825 4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.157 7.815 5.553 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.782 8.888 5.382 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.051 8.424 3.497 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.049 9.849 3.687 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.789 7.891 1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.642 9.170 1.967 1.00 0.00 H new ATOM 771 N LEU A 51 -3.742 5.369 5.738 1.00 0.00 N ATOM 772 CA LEU A 51 -4.484 4.137 5.991 1.00 0.00 C ATOM 773 C LEU A 51 -5.835 4.173 5.281 1.00 0.00 C ATOM 774 O LEU A 51 -6.479 5.218 5.194 1.00 0.00 O ATOM 775 CB LEU A 51 -4.715 3.950 7.492 1.00 0.00 C ATOM 776 CG LEU A 51 -3.374 3.719 8.190 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.811 5.057 8.671 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.578 2.792 9.390 1.00 0.00 C ATOM 0 H LEU A 51 -3.606 5.960 6.558 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.894 3.304 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.206 4.830 7.907 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.378 3.103 7.666 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.675 3.261 7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.855 4.892 9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.666 5.719 7.817 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.510 5.515 9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.623 2.626 9.888 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.278 3.250 10.089 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.979 1.838 9.049 1.00 0.00 H new ATOM 790 N GLY A 52 -6.254 3.015 4.777 1.00 0.00 N ATOM 791 CA GLY A 52 -7.531 2.918 4.075 1.00 0.00 C ATOM 792 C GLY A 52 -7.462 3.621 2.723 1.00 0.00 C ATOM 793 O GLY A 52 -8.324 4.431 2.384 1.00 0.00 O ATOM 0 H GLY A 52 -5.735 2.139 4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.793 1.870 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.319 3.364 4.682 1.00 0.00 H new ATOM 797 N THR A 53 -6.424 3.299 1.956 1.00 0.00 N ATOM 798 CA THR A 53 -6.248 3.903 0.638 1.00 0.00 C ATOM 799 C THR A 53 -5.928 2.830 -0.398 1.00 0.00 C ATOM 800 O THR A 53 -4.880 2.187 -0.343 1.00 0.00 O ATOM 801 CB THR A 53 -5.112 4.929 0.665 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.330 5.847 1.728 1.00 0.00 O ATOM 803 CG2 THR A 53 -5.071 5.686 -0.664 1.00 0.00 C ATOM 0 H THR A 53 -5.700 2.631 2.220 1.00 0.00 H new ATOM 0 HA THR A 53 -7.178 4.403 0.368 1.00 0.00 H new ATOM 0 HB THR A 53 -4.163 4.415 0.816 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.723 5.639 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.262 6.416 -0.642 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.903 4.982 -1.479 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.019 6.201 -0.819 1.00 0.00 H new ATOM 811 N THR A 54 -6.845 2.644 -1.343 1.00 0.00 N ATOM 812 CA THR A 54 -6.654 1.644 -2.390 1.00 0.00 C ATOM 813 C THR A 54 -5.421 1.975 -3.225 1.00 0.00 C ATOM 814 O THR A 54 -5.442 2.881 -4.058 1.00 0.00 O ATOM 815 CB THR A 54 -7.877 1.588 -3.308 1.00 0.00 C ATOM 816 OG1 THR A 54 -9.058 1.736 -2.530 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.912 0.245 -4.040 1.00 0.00 C ATOM 0 H THR A 54 -7.719 3.166 -1.406 1.00 0.00 H new ATOM 0 HA THR A 54 -6.518 0.676 -1.908 1.00 0.00 H new ATOM 0 HB THR A 54 -7.818 2.394 -4.039 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.842 1.702 -3.116 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.784 0.209 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.007 0.132 -4.637 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.970 -0.565 -3.312 1.00 0.00 H new ATOM 825 N LEU A 55 -4.347 1.227 -2.990 1.00 0.00 N ATOM 826 CA LEU A 55 -3.103 1.443 -3.724 1.00 0.00 C ATOM 827 C LEU A 55 -3.317 1.209 -5.215 1.00 0.00 C ATOM 828 O LEU A 55 -3.539 0.081 -5.655 1.00 0.00 O ATOM 829 CB LEU A 55 -2.012 0.494 -3.223 1.00 0.00 C ATOM 830 CG LEU A 55 -0.641 1.009 -3.665 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.164 2.089 -2.691 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.359 -0.148 -3.673 1.00 0.00 C ATOM 0 H LEU A 55 -4.312 0.473 -2.304 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.791 2.474 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.051 0.420 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.179 -0.509 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.717 1.431 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.813 2.457 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.877 2.913 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.088 1.667 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.336 0.218 -3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.435 -0.570 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.019 -0.918 -4.366 1.00 0.00 H new ATOM 844 N MET A 56 -3.246 2.288 -5.986 1.00 0.00 N ATOM 845 CA MET A 56 -3.432 2.196 -7.431 1.00 0.00 C ATOM 846 C MET A 56 -2.073 2.129 -8.137 1.00 0.00 C ATOM 847 O MET A 56 -1.047 2.446 -7.538 1.00 0.00 O ATOM 848 CB MET A 56 -4.208 3.407 -7.950 1.00 0.00 C ATOM 849 CG MET A 56 -5.710 3.144 -7.822 1.00 0.00 C ATOM 850 SD MET A 56 -6.309 2.323 -9.320 1.00 0.00 S ATOM 851 CE MET A 56 -8.074 2.383 -8.921 1.00 0.00 C ATOM 0 H MET A 56 -3.063 3.230 -5.640 1.00 0.00 H new ATOM 0 HA MET A 56 -3.998 1.289 -7.643 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.934 4.297 -7.384 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.949 3.599 -8.991 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.908 2.521 -6.949 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.243 4.083 -7.671 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.645 1.921 -9.726 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.255 1.843 -7.992 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.386 3.421 -8.804 1.00 0.00 H new ATOM 861 N PRO A 57 -2.043 1.714 -9.415 1.00 0.00 N ATOM 862 CA PRO A 57 -0.779 1.618 -10.167 1.00 0.00 C ATOM 863 C PRO A 57 -0.311 2.964 -10.720 1.00 0.00 C ATOM 864 O PRO A 57 0.878 3.171 -10.963 1.00 0.00 O ATOM 865 CB PRO A 57 -1.146 0.666 -11.300 1.00 0.00 C ATOM 866 CG PRO A 57 -2.657 0.746 -11.482 1.00 0.00 C ATOM 867 CD PRO A 57 -3.244 1.319 -10.189 1.00 0.00 C ATOM 0 HA PRO A 57 0.050 1.282 -9.545 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.632 0.946 -12.220 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.840 -0.353 -11.061 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.908 1.381 -12.332 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.072 -0.241 -11.688 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.894 2.171 -10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.841 0.579 -9.656 1.00 0.00 H new ATOM 875 N ASP A 58 -1.260 3.878 -10.915 1.00 0.00 N ATOM 876 CA ASP A 58 -0.931 5.201 -11.439 1.00 0.00 C ATOM 877 C ASP A 58 -0.263 6.063 -10.366 1.00 0.00 C ATOM 878 O ASP A 58 0.494 6.982 -10.677 1.00 0.00 O ATOM 879 CB ASP A 58 -2.192 5.911 -11.936 1.00 0.00 C ATOM 880 CG ASP A 58 -3.224 5.967 -10.815 1.00 0.00 C ATOM 881 OD1 ASP A 58 -3.991 5.027 -10.695 1.00 0.00 O ATOM 882 OD2 ASP A 58 -3.232 6.952 -10.094 1.00 0.00 O ATOM 0 H ASP A 58 -2.250 3.730 -10.721 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.239 5.064 -12.270 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.946 6.920 -12.268 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.603 5.383 -12.796 1.00 0.00 H new ATOM 887 N MET A 59 -0.549 5.760 -9.100 1.00 0.00 N ATOM 888 CA MET A 59 0.034 6.521 -7.996 1.00 0.00 C ATOM 889 C MET A 59 1.248 5.794 -7.418 1.00 0.00 C ATOM 890 O MET A 59 1.549 5.910 -6.230 1.00 0.00 O ATOM 891 CB MET A 59 -0.996 6.726 -6.882 1.00 0.00 C ATOM 892 CG MET A 59 -2.276 7.324 -7.470 1.00 0.00 C ATOM 893 SD MET A 59 -3.235 8.110 -6.152 1.00 0.00 S ATOM 894 CE MET A 59 -3.418 6.648 -5.102 1.00 0.00 C ATOM 0 H MET A 59 -1.172 5.004 -8.816 1.00 0.00 H new ATOM 0 HA MET A 59 0.345 7.489 -8.390 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.216 5.775 -6.397 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.592 7.388 -6.116 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.028 8.055 -8.240 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.868 6.544 -7.949 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.362 6.705 -4.561 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.408 5.751 -5.722 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.594 6.606 -4.390 1.00 0.00 H new ATOM 904 N VAL A 60 1.941 5.043 -8.271 1.00 0.00 N ATOM 905 CA VAL A 60 3.122 4.300 -7.836 1.00 0.00 C ATOM 906 C VAL A 60 4.208 4.368 -8.910 1.00 0.00 C ATOM 907 O VAL A 60 4.109 3.724 -9.954 1.00 0.00 O ATOM 908 CB VAL A 60 2.759 2.835 -7.560 1.00 0.00 C ATOM 909 CG1 VAL A 60 3.985 2.078 -7.038 1.00 0.00 C ATOM 910 CG2 VAL A 60 1.650 2.778 -6.506 1.00 0.00 C ATOM 0 H VAL A 60 1.709 4.933 -9.258 1.00 0.00 H new ATOM 0 HA VAL A 60 3.497 4.750 -6.917 1.00 0.00 H new ATOM 0 HB VAL A 60 2.418 2.373 -8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.716 1.039 -6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.780 2.115 -7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.332 2.540 -6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.390 1.738 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.998 3.247 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.771 3.308 -6.873 1.00 0.00 H new ATOM 920 N LYS A 61 5.241 5.159 -8.638 1.00 0.00 N ATOM 921 CA LYS A 61 6.345 5.314 -9.584 1.00 0.00 C ATOM 922 C LYS A 61 7.089 3.994 -9.760 1.00 0.00 C ATOM 923 O LYS A 61 7.602 3.420 -8.800 1.00 0.00 O ATOM 924 CB LYS A 61 7.328 6.377 -9.091 1.00 0.00 C ATOM 925 CG LYS A 61 6.806 7.766 -9.461 1.00 0.00 C ATOM 926 CD LYS A 61 7.979 8.743 -9.558 1.00 0.00 C ATOM 927 CE LYS A 61 7.581 9.935 -10.431 1.00 0.00 C ATOM 928 NZ LYS A 61 7.960 9.661 -11.847 1.00 0.00 N ATOM 0 H LYS A 61 5.339 5.699 -7.778 1.00 0.00 H new ATOM 0 HA LYS A 61 5.924 5.624 -10.541 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.452 6.299 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.309 6.215 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.274 7.725 -10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.094 8.110 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.263 9.086 -8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.849 8.242 -9.983 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.508 10.111 -10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.077 10.839 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.690 10.470 -12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.988 9.513 -11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.467 8.808 -12.179 1.00 0.00 H new ATOM 942 N GLY A 62 7.139 3.520 -11.002 1.00 0.00 N ATOM 943 CA GLY A 62 7.822 2.264 -11.301 1.00 0.00 C ATOM 944 C GLY A 62 6.814 1.163 -11.609 1.00 0.00 C ATOM 945 O GLY A 62 7.082 0.256 -12.396 1.00 0.00 O ATOM 0 H GLY A 62 6.720 3.980 -11.810 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.490 2.401 -12.152 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.441 1.970 -10.453 1.00 0.00 H new ATOM 949 N TYR A 63 5.647 1.254 -10.975 1.00 0.00 N ATOM 950 CA TYR A 63 4.598 0.262 -11.184 1.00 0.00 C ATOM 951 C TYR A 63 3.687 0.682 -12.333 1.00 0.00 C ATOM 952 O TYR A 63 3.338 1.854 -12.471 1.00 0.00 O ATOM 953 CB TYR A 63 3.758 0.098 -9.916 1.00 0.00 C ATOM 954 CG TYR A 63 2.936 -1.162 -10.016 1.00 0.00 C ATOM 955 CD1 TYR A 63 3.533 -2.422 -9.751 1.00 0.00 C ATOM 956 CD2 TYR A 63 1.564 -1.087 -10.378 1.00 0.00 C ATOM 957 CE1 TYR A 63 2.759 -3.610 -9.847 1.00 0.00 C ATOM 958 CE2 TYR A 63 0.789 -2.274 -10.473 1.00 0.00 C ATOM 959 CZ TYR A 63 1.386 -3.535 -10.209 1.00 0.00 C ATOM 960 OH TYR A 63 0.633 -4.689 -10.302 1.00 0.00 O ATOM 0 H TYR A 63 5.406 1.997 -10.319 1.00 0.00 H new ATOM 0 HA TYR A 63 5.076 -0.687 -11.429 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.406 0.053 -9.041 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.105 0.961 -9.785 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.576 -2.478 -9.476 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.110 -0.128 -10.581 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.213 -4.569 -9.645 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.254 -2.217 -10.746 1.00 0.00 H new ATOM 0 HH TYR A 63 -0.285 -4.461 -10.558 1.00 0.00 H new ATOM 970 N ALA A 64 3.307 -0.291 -13.157 1.00 0.00 N ATOM 971 CA ALA A 64 2.434 -0.015 -14.295 1.00 0.00 C ATOM 972 C ALA A 64 2.109 -1.304 -15.042 1.00 0.00 C ATOM 973 O ALA A 64 2.831 -1.711 -15.953 1.00 0.00 O ATOM 974 CB ALA A 64 3.106 0.963 -15.262 1.00 0.00 C ATOM 0 H ALA A 64 3.586 -1.267 -13.060 1.00 0.00 H new ATOM 0 HA ALA A 64 1.514 0.427 -13.912 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.441 1.157 -16.104 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.319 1.898 -14.744 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.038 0.531 -15.628 1.00 0.00 H new ATOM 980 N ALA A 65 1.011 -1.945 -14.644 1.00 0.00 N ATOM 981 CA ALA A 65 0.592 -3.193 -15.280 1.00 0.00 C ATOM 982 C ALA A 65 1.667 -4.263 -15.120 1.00 0.00 C ATOM 983 O ALA A 65 1.505 -5.329 -15.692 1.00 0.00 O ATOM 984 CB ALA A 65 0.324 -2.974 -16.771 1.00 0.00 C ATOM 0 H ALA A 65 0.401 -1.625 -13.892 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.325 -3.524 -14.792 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.013 -3.914 -17.227 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.466 -2.233 -16.894 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.233 -2.619 -17.256 1.00 0.00 H new TER 990 ALA A 65