USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 4 GLN : amide:sc= -2.25 K(o=-6.9,f=-9!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -4.64! C(o=-8.1!,f=-6.9!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ 166:sc= 0.727 (180deg=0) USER MOD Set 2.2: A 56 SER OG : rot 74:sc= 1.56 USER MOD Set 3.1: A 51 MET CE :methyl 167:sc= -2.7 (180deg=-3.42!) USER MOD Set 3.2: A 52 SER OG : rot -150:sc= -0.32 USER MOD Set 4.1: A 43 ASN : amide:sc= -1.16! C(o=-1.1!,f=-2.9!) USER MOD Set 4.2: A 46 SER OG : rot -110:sc= 0.0524 USER MOD Set 5.1: A 3 GLN : amide:sc= -1.24! C(o=-0.57!,f=-6!) USER MOD Set 5.2: A 66 GLN : amide:sc= 0.661 K(o=-0.57,f=-2.3) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -146:sc= -7.1! (180deg=-8.11!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 15 GLN : amide:sc= -0.742 K(o=-0.74,f=-15!) USER MOD Single : A 24 GLN : amide:sc= -5.4! C(o=-5.4!,f=-11!) USER MOD Single : A 27 ASN : amide:sc= -8.15! C(o=-8.1!,f=-9.7!) USER MOD Single : A 30 THR OG1 : rot -178:sc= -5.17! USER MOD Single : A 31 SER OG : rot 110:sc= -0.481 USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= -0.358 (180deg=-1.12!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= -0.919! (180deg=-1.09!) USER MOD Single : A 48 MET CE :methyl 145:sc= -1.73 (180deg=-5.21!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -4.41! USER MOD Single : A 59 THR OG1 : rot 70:sc= 0.1 USER MOD Single : A 62 THR OG1 : rot 144:sc= -2.31! USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0.523 (180deg=0.442) USER MOD Single : A 80 TYR OH : rot -15:sc= -0.163 USER MOD Single : A 82 GLN :FLIP amide:sc= -2.4! C(o=-3.8!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -17.773 4.611 -2.955 1.00 0.00 N ATOM 2 CA VAL A 2 -18.035 4.804 -1.536 1.00 0.00 C ATOM 3 C VAL A 2 -16.776 4.374 -0.793 1.00 0.00 C ATOM 4 O VAL A 2 -15.947 3.709 -1.402 1.00 0.00 O ATOM 5 CB VAL A 2 -19.220 3.927 -1.120 1.00 0.00 C ATOM 6 CG1 VAL A 2 -19.741 4.357 0.249 1.00 0.00 C ATOM 7 CG2 VAL A 2 -20.357 4.015 -2.138 1.00 0.00 C ATOM 0 HA VAL A 2 -18.279 5.842 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.868 2.896 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.583 3.726 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.947 4.256 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.066 5.397 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -21.184 3.382 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.698 5.047 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -20.001 3.678 -3.112 1.00 0.00 H new ATOM 19 N GLN A 3 -16.590 4.723 0.480 1.00 0.00 N ATOM 20 CA GLN A 3 -15.408 4.249 1.181 1.00 0.00 C ATOM 21 C GLN A 3 -15.788 3.168 2.175 1.00 0.00 C ATOM 22 O GLN A 3 -16.571 3.418 3.088 1.00 0.00 O ATOM 23 CB GLN A 3 -14.686 5.389 1.896 1.00 0.00 C ATOM 24 CG GLN A 3 -13.290 4.915 2.315 1.00 0.00 C ATOM 25 CD GLN A 3 -12.381 6.098 2.596 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.554 6.452 1.762 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.531 6.723 3.758 1.00 0.00 N ATOM 0 H GLN A 3 -17.220 5.311 1.026 1.00 0.00 H new ATOM 0 HA GLN A 3 -14.725 3.833 0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.607 6.255 1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.254 5.704 2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.365 4.289 3.204 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.859 4.298 1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.230 6.398 4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.947 7.528 3.983 1.00 0.00 H new ATOM 36 N GLN A 4 -15.229 1.974 2.012 1.00 0.00 N ATOM 37 CA GLN A 4 -15.499 0.904 2.958 1.00 0.00 C ATOM 38 C GLN A 4 -14.207 0.110 3.145 1.00 0.00 C ATOM 39 O GLN A 4 -13.389 0.063 2.231 1.00 0.00 O ATOM 40 CB GLN A 4 -16.674 0.071 2.425 1.00 0.00 C ATOM 41 CG GLN A 4 -17.545 -0.604 3.496 1.00 0.00 C ATOM 42 CD GLN A 4 -16.801 -1.671 4.283 1.00 0.00 C ATOM 43 OE1 GLN A 4 -16.454 -2.720 3.749 1.00 0.00 O ATOM 44 NE2 GLN A 4 -16.513 -1.392 5.551 1.00 0.00 N ATOM 0 H GLN A 4 -14.599 1.728 1.249 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.798 1.270 3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.309 0.717 1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.280 -0.700 1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.916 0.155 4.185 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.415 -1.054 3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -16.818 -0.509 5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -15.987 -2.061 6.114 1.00 0.00 H new ATOM 53 N LYS A 5 -13.980 -0.480 4.317 1.00 0.00 N ATOM 54 CA LYS A 5 -12.805 -1.279 4.565 1.00 0.00 C ATOM 55 C LYS A 5 -13.122 -2.384 5.560 1.00 0.00 C ATOM 56 O LYS A 5 -13.988 -2.226 6.424 1.00 0.00 O ATOM 57 CB LYS A 5 -11.677 -0.382 5.065 1.00 0.00 C ATOM 58 CG LYS A 5 -12.163 0.801 5.906 1.00 0.00 C ATOM 59 CD LYS A 5 -12.397 0.372 7.347 1.00 0.00 C ATOM 60 CE LYS A 5 -12.819 1.585 8.170 1.00 0.00 C ATOM 61 NZ LYS A 5 -12.870 1.251 9.603 1.00 0.00 N ATOM 0 H LYS A 5 -14.612 -0.411 5.115 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.481 -1.754 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.985 -0.979 5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.118 -0.004 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.426 1.604 5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.086 1.199 5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.168 -0.397 7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.488 -0.065 7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.117 2.403 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.797 1.933 7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.159 2.090 10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.557 0.486 9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.930 0.941 9.921 1.00 0.00 H new ATOM 75 N VAL A 6 -12.418 -3.503 5.416 1.00 0.00 N ATOM 76 CA VAL A 6 -12.530 -4.661 6.283 1.00 0.00 C ATOM 77 C VAL A 6 -11.111 -5.048 6.695 1.00 0.00 C ATOM 78 O VAL A 6 -10.258 -5.270 5.839 1.00 0.00 O ATOM 79 CB VAL A 6 -13.260 -5.789 5.548 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.704 -5.368 5.280 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.590 -6.101 4.210 1.00 0.00 C ATOM 0 H VAL A 6 -11.735 -3.628 4.669 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.116 -4.449 7.177 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.227 -6.679 6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.226 -6.169 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -15.206 -5.166 6.226 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.712 -4.468 4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.130 -6.906 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.602 -5.211 3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.559 -6.409 4.383 1.00 0.00 H new ATOM 91 N GLU A 7 -10.809 -5.058 7.992 1.00 0.00 N ATOM 92 CA GLU A 7 -9.444 -5.335 8.401 1.00 0.00 C ATOM 93 C GLU A 7 -9.155 -6.814 8.569 1.00 0.00 C ATOM 94 O GLU A 7 -10.038 -7.608 8.885 1.00 0.00 O ATOM 95 CB GLU A 7 -9.076 -4.553 9.661 1.00 0.00 C ATOM 96 CG GLU A 7 -9.967 -4.915 10.847 1.00 0.00 C ATOM 97 CD GLU A 7 -9.358 -4.374 12.130 1.00 0.00 C ATOM 98 OE1 GLU A 7 -8.195 -4.744 12.398 1.00 0.00 O ATOM 99 OE2 GLU A 7 -10.067 -3.602 12.812 1.00 0.00 O ATOM 0 H GLU A 7 -11.469 -4.884 8.750 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.808 -4.994 7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.035 -4.750 9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.158 -3.485 9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.965 -4.501 10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.078 -5.997 10.914 1.00 0.00 H new ATOM 106 N VAL A 8 -7.893 -7.163 8.339 1.00 0.00 N ATOM 107 CA VAL A 8 -7.405 -8.526 8.428 1.00 0.00 C ATOM 108 C VAL A 8 -5.946 -8.479 8.868 1.00 0.00 C ATOM 109 O VAL A 8 -5.385 -7.395 9.018 1.00 0.00 O ATOM 110 CB VAL A 8 -7.510 -9.186 7.049 1.00 0.00 C ATOM 111 CG1 VAL A 8 -8.808 -8.795 6.352 1.00 0.00 C ATOM 112 CG2 VAL A 8 -6.369 -8.731 6.145 1.00 0.00 C ATOM 0 H VAL A 8 -7.171 -6.490 8.081 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.993 -9.101 9.144 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.472 -10.263 7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.856 -9.277 5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.656 -9.115 6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.841 -7.713 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.463 -9.211 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.412 -7.649 6.021 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.416 -9.007 6.596 1.00 0.00 H new ATOM 122 N ARG A 9 -5.287 -9.622 9.035 1.00 0.00 N ATOM 123 CA ARG A 9 -3.868 -9.533 9.318 1.00 0.00 C ATOM 124 C ARG A 9 -3.151 -9.313 8.001 1.00 0.00 C ATOM 125 O ARG A 9 -3.455 -9.939 6.987 1.00 0.00 O ATOM 126 CB ARG A 9 -3.341 -10.779 10.009 1.00 0.00 C ATOM 127 CG ARG A 9 -1.866 -10.683 10.381 1.00 0.00 C ATOM 128 CD ARG A 9 -1.374 -12.095 10.702 1.00 0.00 C ATOM 129 NE ARG A 9 -1.323 -12.930 9.493 1.00 0.00 N ATOM 130 CZ ARG A 9 -2.350 -13.624 8.980 1.00 0.00 C ATOM 131 NH1 ARG A 9 -3.543 -13.638 9.584 1.00 0.00 N ATOM 132 NH2 ARG A 9 -2.177 -14.302 7.842 1.00 0.00 N ATOM 0 H ARG A 9 -5.684 -10.560 8.983 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.689 -8.705 10.003 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.925 -10.960 10.911 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.489 -11.639 9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.291 -10.256 9.559 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.730 -10.026 11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.383 -12.043 11.153 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.035 -12.555 11.437 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.431 -12.986 9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.683 -13.115 10.449 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.313 -14.171 9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.271 -14.288 7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.950 -14.833 7.442 1.00 0.00 H new ATOM 146 N LEU A 10 -2.191 -8.405 8.028 1.00 0.00 N ATOM 147 CA LEU A 10 -1.382 -8.042 6.896 1.00 0.00 C ATOM 148 C LEU A 10 -0.388 -9.164 6.630 1.00 0.00 C ATOM 149 O LEU A 10 0.811 -9.014 6.839 1.00 0.00 O ATOM 150 CB LEU A 10 -0.731 -6.718 7.283 1.00 0.00 C ATOM 151 CG LEU A 10 0.193 -6.132 6.233 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.505 -6.038 4.881 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.551 -4.746 6.753 1.00 0.00 C ATOM 0 H LEU A 10 -1.951 -7.886 8.873 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.937 -7.912 5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.516 -5.994 7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.166 -6.863 8.204 1.00 0.00 H new ATOM 0 HG LEU A 10 1.075 -6.753 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.180 -5.615 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.811 -7.033 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.383 -5.399 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.220 -4.254 6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.357 -4.154 6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.047 -4.837 7.719 1.00 0.00 H new ATOM 165 N LYS A 11 -0.886 -10.290 6.133 1.00 0.00 N ATOM 166 CA LYS A 11 -0.100 -11.481 5.882 1.00 0.00 C ATOM 167 C LYS A 11 0.836 -11.225 4.704 1.00 0.00 C ATOM 168 O LYS A 11 1.926 -11.787 4.661 1.00 0.00 O ATOM 169 CB LYS A 11 -1.076 -12.639 5.628 1.00 0.00 C ATOM 170 CG LYS A 11 -0.416 -13.902 5.095 1.00 0.00 C ATOM 171 CD LYS A 11 -0.148 -13.668 3.608 1.00 0.00 C ATOM 172 CE LYS A 11 -1.455 -13.186 2.991 1.00 0.00 C ATOM 173 NZ LYS A 11 -1.268 -12.669 1.635 1.00 0.00 N ATOM 0 H LYS A 11 -1.871 -10.398 5.889 1.00 0.00 H new ATOM 0 HA LYS A 11 0.529 -11.743 6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.591 -12.876 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.835 -12.311 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.513 -14.107 5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.064 -14.767 5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.640 -12.928 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.190 -14.586 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.170 -14.009 2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.886 -12.406 3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.930 -11.884 1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.292 -12.328 1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.449 -13.427 0.946 1.00 0.00 H new ATOM 187 N THR A 12 0.415 -10.407 3.739 1.00 0.00 N ATOM 188 CA THR A 12 1.253 -9.994 2.631 1.00 0.00 C ATOM 189 C THR A 12 2.457 -9.213 3.158 1.00 0.00 C ATOM 190 O THR A 12 3.567 -9.378 2.662 1.00 0.00 O ATOM 191 CB THR A 12 0.444 -9.076 1.703 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.343 -8.192 2.478 1.00 0.00 O ATOM 193 CG2 THR A 12 -0.486 -9.866 0.792 1.00 0.00 C ATOM 0 H THR A 12 -0.526 -10.014 3.711 1.00 0.00 H new ATOM 0 HA THR A 12 1.593 -10.877 2.090 1.00 0.00 H new ATOM 0 HB THR A 12 1.157 -8.529 1.086 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.857 -7.606 1.884 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.039 -9.178 0.152 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.101 -10.545 0.173 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.186 -10.441 1.398 1.00 0.00 H new ATOM 201 N GLY A 13 2.200 -8.307 4.111 1.00 0.00 N ATOM 202 CA GLY A 13 3.181 -7.379 4.664 1.00 0.00 C ATOM 203 C GLY A 13 3.890 -6.588 3.566 1.00 0.00 C ATOM 204 O GLY A 13 5.025 -6.160 3.728 1.00 0.00 O ATOM 0 H GLY A 13 1.275 -8.201 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.685 -6.689 5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.917 -7.932 5.248 1.00 0.00 H new ATOM 208 N LEU A 14 3.213 -6.440 2.424 1.00 0.00 N ATOM 209 CA LEU A 14 3.590 -5.622 1.281 1.00 0.00 C ATOM 210 C LEU A 14 5.082 -5.664 0.958 1.00 0.00 C ATOM 211 O LEU A 14 5.679 -4.651 0.604 1.00 0.00 O ATOM 212 CB LEU A 14 3.066 -4.207 1.454 1.00 0.00 C ATOM 213 CG LEU A 14 1.602 -4.096 1.022 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.475 -4.229 -0.488 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.728 -5.162 1.679 1.00 0.00 C ATOM 0 H LEU A 14 2.328 -6.923 2.269 1.00 0.00 H new ATOM 0 HA LEU A 14 3.114 -6.059 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.163 -3.907 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.673 -3.518 0.867 1.00 0.00 H new ATOM 0 HG LEU A 14 1.257 -3.113 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.426 -4.147 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.046 -3.437 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.862 -5.199 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.302 -5.045 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.090 -6.152 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.772 -5.051 2.762 1.00 0.00 H new ATOM 227 N GLN A 15 5.666 -6.855 1.035 1.00 0.00 N ATOM 228 CA GLN A 15 7.091 -7.019 0.827 1.00 0.00 C ATOM 229 C GLN A 15 7.430 -7.038 -0.657 1.00 0.00 C ATOM 230 O GLN A 15 8.358 -6.357 -1.085 1.00 0.00 O ATOM 231 CB GLN A 15 7.624 -8.241 1.586 1.00 0.00 C ATOM 232 CG GLN A 15 6.532 -9.169 2.131 1.00 0.00 C ATOM 233 CD GLN A 15 5.952 -10.065 1.048 1.00 0.00 C ATOM 234 OE1 GLN A 15 5.268 -9.605 0.132 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.258 -11.352 1.136 1.00 0.00 N ATOM 0 H GLN A 15 5.168 -7.721 1.241 1.00 0.00 H new ATOM 0 HA GLN A 15 7.605 -6.154 1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.272 -8.813 0.922 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.241 -7.898 2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.946 -9.786 2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.735 -8.571 2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.827 -11.689 1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.924 -12.005 0.427 1.00 0.00 H new ATOM 244 N ALA A 16 6.688 -7.807 -1.456 1.00 0.00 N ATOM 245 CA ALA A 16 6.942 -7.850 -2.881 1.00 0.00 C ATOM 246 C ALA A 16 5.746 -8.390 -3.665 1.00 0.00 C ATOM 247 O ALA A 16 4.717 -7.731 -3.758 1.00 0.00 O ATOM 248 CB ALA A 16 8.225 -8.644 -3.141 1.00 0.00 C ATOM 0 H ALA A 16 5.919 -8.397 -1.139 1.00 0.00 H new ATOM 0 HA ALA A 16 7.087 -6.833 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.420 -8.679 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.061 -8.160 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.108 -9.659 -2.760 1.00 0.00 H new ATOM 254 N ARG A 17 5.875 -9.599 -4.210 1.00 0.00 N ATOM 255 CA ARG A 17 4.898 -10.219 -5.096 1.00 0.00 C ATOM 256 C ARG A 17 3.457 -10.203 -4.592 1.00 0.00 C ATOM 257 O ARG A 17 2.596 -9.646 -5.272 1.00 0.00 O ATOM 258 CB ARG A 17 5.357 -11.631 -5.468 1.00 0.00 C ATOM 259 CG ARG A 17 4.320 -12.363 -6.327 1.00 0.00 C ATOM 260 CD ARG A 17 3.667 -11.437 -7.357 1.00 0.00 C ATOM 261 NE ARG A 17 4.665 -10.699 -8.136 1.00 0.00 N ATOM 262 CZ ARG A 17 4.665 -9.366 -8.279 1.00 0.00 C ATOM 263 NH1 ARG A 17 3.775 -8.608 -7.626 1.00 0.00 N ATOM 264 NH2 ARG A 17 5.567 -8.794 -9.080 1.00 0.00 N ATOM 0 H ARG A 17 6.689 -10.190 -4.040 1.00 0.00 H new ATOM 0 HA ARG A 17 4.864 -9.594 -5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.302 -11.575 -6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.544 -12.203 -4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.799 -13.196 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.550 -12.787 -5.682 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.043 -12.025 -8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.010 -10.732 -6.847 1.00 0.00 H new ATOM 0 HE ARG A 17 5.403 -11.231 -8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.087 -9.044 -7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.785 -7.595 -7.743 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.247 -9.370 -9.576 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.576 -7.781 -9.196 1.00 0.00 H new ATOM 278 N PRO A 18 3.168 -10.828 -3.447 1.00 0.00 N ATOM 279 CA PRO A 18 1.824 -10.917 -2.901 1.00 0.00 C ATOM 280 C PRO A 18 1.296 -9.550 -2.524 1.00 0.00 C ATOM 281 O PRO A 18 0.137 -9.213 -2.735 1.00 0.00 O ATOM 282 CB PRO A 18 1.981 -11.771 -1.645 1.00 0.00 C ATOM 283 CG PRO A 18 3.385 -11.372 -1.184 1.00 0.00 C ATOM 284 CD PRO A 18 4.139 -11.346 -2.506 1.00 0.00 C ATOM 0 HA PRO A 18 1.122 -11.337 -3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.222 -11.544 -0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.907 -12.837 -1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.394 -10.402 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.808 -12.093 -0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.022 -10.709 -2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.481 -12.341 -2.791 1.00 0.00 H new ATOM 292 N ALA A 19 2.187 -8.762 -1.950 1.00 0.00 N ATOM 293 CA ALA A 19 1.973 -7.407 -1.543 1.00 0.00 C ATOM 294 C ALA A 19 1.459 -6.569 -2.710 1.00 0.00 C ATOM 295 O ALA A 19 0.419 -5.920 -2.620 1.00 0.00 O ATOM 296 CB ALA A 19 3.373 -6.986 -1.157 1.00 0.00 C ATOM 0 H ALA A 19 3.134 -9.082 -1.748 1.00 0.00 H new ATOM 0 HA ALA A 19 1.235 -7.288 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.361 -5.950 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.737 -7.626 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.032 -7.078 -2.020 1.00 0.00 H new ATOM 302 N ALA A 20 2.212 -6.593 -3.805 1.00 0.00 N ATOM 303 CA ALA A 20 1.888 -5.874 -5.024 1.00 0.00 C ATOM 304 C ALA A 20 0.720 -6.545 -5.720 1.00 0.00 C ATOM 305 O ALA A 20 -0.003 -5.879 -6.440 1.00 0.00 O ATOM 306 CB ALA A 20 3.112 -5.856 -5.931 1.00 0.00 C ATOM 0 H ALA A 20 3.081 -7.124 -3.867 1.00 0.00 H new ATOM 0 HA ALA A 20 1.604 -4.849 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.877 -5.318 -6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.936 -5.359 -5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.400 -6.879 -6.174 1.00 0.00 H new ATOM 312 N LEU A 21 0.535 -7.852 -5.542 1.00 0.00 N ATOM 313 CA LEU A 21 -0.636 -8.545 -6.061 1.00 0.00 C ATOM 314 C LEU A 21 -1.869 -7.910 -5.418 1.00 0.00 C ATOM 315 O LEU A 21 -2.837 -7.552 -6.089 1.00 0.00 O ATOM 316 CB LEU A 21 -0.518 -10.026 -5.707 1.00 0.00 C ATOM 317 CG LEU A 21 -1.386 -10.900 -6.611 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.867 -10.661 -6.338 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.085 -10.593 -8.075 1.00 0.00 C ATOM 0 H LEU A 21 1.188 -8.453 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.716 -8.461 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.523 -10.338 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.811 -10.175 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.155 -11.944 -6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.465 -11.294 -6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.089 -10.903 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.107 -9.615 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.707 -11.220 -8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.298 -9.543 -8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.034 -10.796 -8.281 1.00 0.00 H new ATOM 331 N PHE A 22 -1.770 -7.743 -4.100 1.00 0.00 N ATOM 332 CA PHE A 22 -2.714 -7.062 -3.238 1.00 0.00 C ATOM 333 C PHE A 22 -2.964 -5.665 -3.779 1.00 0.00 C ATOM 334 O PHE A 22 -4.092 -5.374 -4.173 1.00 0.00 O ATOM 335 CB PHE A 22 -2.104 -7.016 -1.840 1.00 0.00 C ATOM 336 CG PHE A 22 -2.620 -5.927 -0.926 1.00 0.00 C ATOM 337 CD1 PHE A 22 -3.994 -5.644 -0.847 1.00 0.00 C ATOM 338 CD2 PHE A 22 -1.692 -5.055 -0.333 1.00 0.00 C ATOM 339 CE1 PHE A 22 -4.437 -4.516 -0.134 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.136 -3.950 0.412 1.00 0.00 C ATOM 341 CZ PHE A 22 -3.512 -3.694 0.530 1.00 0.00 C ATOM 0 H PHE A 22 -0.972 -8.107 -3.579 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.672 -7.580 -3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.276 -7.979 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.025 -6.898 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.709 -6.292 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.634 -5.235 -0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.491 -4.281 -0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.421 -3.299 0.893 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.858 -2.866 1.131 1.00 0.00 H new ATOM 351 N VAL A 23 -1.929 -4.814 -3.815 1.00 0.00 N ATOM 352 CA VAL A 23 -2.087 -3.471 -4.334 1.00 0.00 C ATOM 353 C VAL A 23 -2.689 -3.529 -5.738 1.00 0.00 C ATOM 354 O VAL A 23 -3.446 -2.650 -6.113 1.00 0.00 O ATOM 355 CB VAL A 23 -0.751 -2.721 -4.399 1.00 0.00 C ATOM 356 CG1 VAL A 23 0.147 -2.768 -3.159 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.062 -3.054 -5.711 1.00 0.00 C ATOM 0 H VAL A 23 -0.988 -5.039 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.749 -2.934 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.994 -1.658 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.056 -2.196 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.383 -2.338 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.408 -3.803 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.889 -2.525 -5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.116 -4.128 -5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.696 -2.748 -6.543 1.00 0.00 H new ATOM 367 N GLN A 24 -2.310 -4.532 -6.530 1.00 0.00 N ATOM 368 CA GLN A 24 -2.709 -4.754 -7.899 1.00 0.00 C ATOM 369 C GLN A 24 -4.212 -4.892 -7.984 1.00 0.00 C ATOM 370 O GLN A 24 -4.842 -4.145 -8.713 1.00 0.00 O ATOM 371 CB GLN A 24 -1.990 -6.009 -8.400 1.00 0.00 C ATOM 372 CG GLN A 24 -2.408 -6.412 -9.810 1.00 0.00 C ATOM 373 CD GLN A 24 -3.343 -7.618 -9.849 1.00 0.00 C ATOM 374 OE1 GLN A 24 -3.800 -8.003 -10.921 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.664 -8.236 -8.715 1.00 0.00 N ATOM 0 H GLN A 24 -1.672 -5.255 -6.198 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.432 -3.909 -8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.914 -5.836 -8.381 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.192 -6.834 -7.717 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.900 -5.566 -10.290 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.516 -6.636 -10.395 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.279 -7.909 -7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.295 -9.037 -8.732 1.00 0.00 H new ATOM 384 N GLU A 25 -4.793 -5.824 -7.236 1.00 0.00 N ATOM 385 CA GLU A 25 -6.227 -6.039 -7.265 1.00 0.00 C ATOM 386 C GLU A 25 -6.917 -4.865 -6.600 1.00 0.00 C ATOM 387 O GLU A 25 -7.888 -4.359 -7.149 1.00 0.00 O ATOM 388 CB GLU A 25 -6.574 -7.389 -6.632 1.00 0.00 C ATOM 389 CG GLU A 25 -5.734 -7.653 -5.379 1.00 0.00 C ATOM 390 CD GLU A 25 -6.119 -8.962 -4.709 1.00 0.00 C ATOM 391 OE1 GLU A 25 -7.131 -8.946 -3.973 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.410 -9.956 -4.964 1.00 0.00 O ATOM 0 H GLU A 25 -4.287 -6.442 -6.602 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.588 -6.087 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.633 -7.409 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.408 -8.186 -7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.678 -7.679 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.864 -6.832 -4.674 1.00 0.00 H new ATOM 399 N ALA A 26 -6.386 -4.376 -5.478 1.00 0.00 N ATOM 400 CA ALA A 26 -6.888 -3.165 -4.851 1.00 0.00 C ATOM 401 C ALA A 26 -6.981 -2.059 -5.904 1.00 0.00 C ATOM 402 O ALA A 26 -7.984 -1.362 -5.981 1.00 0.00 O ATOM 403 CB ALA A 26 -5.938 -2.767 -3.725 1.00 0.00 C ATOM 0 H ALA A 26 -5.603 -4.808 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.881 -3.330 -4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.303 -1.859 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.888 -3.571 -2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.944 -2.587 -4.134 1.00 0.00 H new ATOM 409 N ASN A 27 -5.933 -1.944 -6.722 1.00 0.00 N ATOM 410 CA ASN A 27 -5.777 -1.024 -7.840 1.00 0.00 C ATOM 411 C ASN A 27 -6.732 -1.314 -8.978 1.00 0.00 C ATOM 412 O ASN A 27 -7.180 -0.412 -9.679 1.00 0.00 O ATOM 413 CB ASN A 27 -4.403 -1.255 -8.448 1.00 0.00 C ATOM 414 CG ASN A 27 -3.441 -0.136 -8.076 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.678 1.029 -8.378 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.370 -0.487 -7.376 1.00 0.00 N ATOM 0 H ASN A 27 -5.112 -2.538 -6.608 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.947 -0.022 -7.446 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.006 -2.209 -8.103 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.489 -1.319 -9.533 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.707 0.224 -7.068 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.210 -1.468 -7.146 1.00 0.00 H new ATOM 423 N ARG A 28 -6.934 -2.609 -9.205 1.00 0.00 N ATOM 424 CA ARG A 28 -7.774 -3.180 -10.235 1.00 0.00 C ATOM 425 C ARG A 28 -9.156 -2.605 -10.004 1.00 0.00 C ATOM 426 O ARG A 28 -9.833 -2.102 -10.897 1.00 0.00 O ATOM 427 CB ARG A 28 -7.718 -4.681 -9.988 1.00 0.00 C ATOM 428 CG ARG A 28 -6.469 -5.238 -10.661 1.00 0.00 C ATOM 429 CD ARG A 28 -6.295 -6.729 -10.377 1.00 0.00 C ATOM 430 NE ARG A 28 -7.487 -7.501 -10.736 1.00 0.00 N ATOM 431 CZ ARG A 28 -7.439 -8.743 -11.233 1.00 0.00 C ATOM 432 NH1 ARG A 28 -6.260 -9.340 -11.447 1.00 0.00 N ATOM 433 NH2 ARG A 28 -8.576 -9.384 -11.516 1.00 0.00 N ATOM 0 H ARG A 28 -6.484 -3.326 -8.635 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.479 -2.968 -11.263 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.695 -4.888 -8.918 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.610 -5.164 -10.387 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.532 -5.077 -11.737 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.592 -4.695 -10.308 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.438 -7.106 -10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.075 -6.873 -9.319 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.401 -7.070 -10.600 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.393 -8.848 -11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.229 -10.287 -11.826 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.473 -8.927 -11.353 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.547 -10.331 -11.895 1.00 0.00 H new ATOM 447 N PHE A 29 -9.512 -2.672 -8.732 1.00 0.00 N ATOM 448 CA PHE A 29 -10.646 -2.048 -8.139 1.00 0.00 C ATOM 449 C PHE A 29 -10.512 -0.541 -8.299 1.00 0.00 C ATOM 450 O PHE A 29 -9.534 0.075 -7.881 1.00 0.00 O ATOM 451 CB PHE A 29 -10.593 -2.494 -6.695 1.00 0.00 C ATOM 452 CG PHE A 29 -11.075 -3.918 -6.562 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.111 -4.375 -7.393 1.00 0.00 C ATOM 454 CD2 PHE A 29 -10.365 -4.832 -5.771 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.478 -5.728 -7.386 1.00 0.00 C ATOM 456 CE2 PHE A 29 -10.757 -6.178 -5.728 1.00 0.00 C ATOM 457 CZ PHE A 29 -11.824 -6.623 -6.526 1.00 0.00 C ATOM 0 H PHE A 29 -8.968 -3.205 -8.054 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.602 -2.315 -8.589 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.572 -2.413 -6.321 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.210 -1.837 -6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.627 -3.681 -8.040 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.515 -4.499 -5.194 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.262 -6.080 -8.040 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.239 -6.872 -5.082 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.141 -7.654 -6.477 1.00 0.00 H new ATOM 467 N THR A 30 -11.533 0.066 -8.885 1.00 0.00 N ATOM 468 CA THR A 30 -11.573 1.485 -9.202 1.00 0.00 C ATOM 469 C THR A 30 -11.905 2.319 -7.968 1.00 0.00 C ATOM 470 O THR A 30 -12.821 3.138 -7.977 1.00 0.00 O ATOM 471 CB THR A 30 -12.615 1.644 -10.303 1.00 0.00 C ATOM 472 OG1 THR A 30 -13.718 0.801 -10.034 1.00 0.00 O ATOM 473 CG2 THR A 30 -11.992 1.148 -11.599 1.00 0.00 C ATOM 0 H THR A 30 -12.381 -0.430 -9.161 1.00 0.00 H new ATOM 0 HA THR A 30 -10.602 1.846 -9.540 1.00 0.00 H new ATOM 0 HB THR A 30 -12.933 2.685 -10.364 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.374 0.880 -10.757 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.713 1.248 -12.411 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.105 1.740 -11.826 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.711 0.101 -11.490 1.00 0.00 H new ATOM 481 N SER A 31 -11.123 2.122 -6.914 1.00 0.00 N ATOM 482 CA SER A 31 -11.353 2.662 -5.600 1.00 0.00 C ATOM 483 C SER A 31 -10.090 3.166 -4.922 1.00 0.00 C ATOM 484 O SER A 31 -9.000 2.641 -5.143 1.00 0.00 O ATOM 485 CB SER A 31 -11.874 1.505 -4.742 1.00 0.00 C ATOM 486 OG SER A 31 -12.897 0.779 -5.404 1.00 0.00 O ATOM 0 H SER A 31 -10.277 1.555 -6.965 1.00 0.00 H new ATOM 0 HA SER A 31 -12.039 3.504 -5.698 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.051 0.833 -4.498 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.257 1.895 -3.799 1.00 0.00 H new ATOM 0 HG SER A 31 -12.560 -0.106 -5.655 1.00 0.00 H new ATOM 492 N ASP A 32 -10.265 4.141 -4.029 1.00 0.00 N ATOM 493 CA ASP A 32 -9.231 4.584 -3.117 1.00 0.00 C ATOM 494 C ASP A 32 -9.045 3.438 -2.136 1.00 0.00 C ATOM 495 O ASP A 32 -9.702 3.395 -1.100 1.00 0.00 O ATOM 496 CB ASP A 32 -9.723 5.810 -2.354 1.00 0.00 C ATOM 497 CG ASP A 32 -8.812 7.012 -2.542 1.00 0.00 C ATOM 498 OD1 ASP A 32 -7.890 6.912 -3.380 1.00 0.00 O ATOM 499 OD2 ASP A 32 -9.047 8.009 -1.825 1.00 0.00 O ATOM 0 H ASP A 32 -11.144 4.647 -3.924 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.309 4.842 -3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.729 6.064 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.791 5.571 -1.293 1.00 0.00 H new ATOM 504 N VAL A 33 -8.276 2.433 -2.526 1.00 0.00 N ATOM 505 CA VAL A 33 -8.100 1.269 -1.686 1.00 0.00 C ATOM 506 C VAL A 33 -7.069 1.571 -0.622 1.00 0.00 C ATOM 507 O VAL A 33 -6.087 2.275 -0.859 1.00 0.00 O ATOM 508 CB VAL A 33 -7.779 0.043 -2.523 1.00 0.00 C ATOM 509 CG1 VAL A 33 -8.882 -0.054 -3.570 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.417 0.209 -3.182 1.00 0.00 C ATOM 0 H VAL A 33 -7.770 2.404 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.030 1.031 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.736 -0.863 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.705 -0.921 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.847 -0.159 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.884 0.849 -4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.193 -0.674 -3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.428 1.090 -3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.653 0.330 -2.414 1.00 0.00 H new ATOM 520 N PHE A 34 -7.287 1.012 0.557 1.00 0.00 N ATOM 521 CA PHE A 34 -6.482 1.348 1.704 1.00 0.00 C ATOM 522 C PHE A 34 -6.170 0.154 2.581 1.00 0.00 C ATOM 523 O PHE A 34 -6.705 -0.938 2.403 1.00 0.00 O ATOM 524 CB PHE A 34 -7.204 2.413 2.532 1.00 0.00 C ATOM 525 CG PHE A 34 -7.447 3.720 1.814 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.373 4.390 1.206 1.00 0.00 C ATOM 527 CD2 PHE A 34 -8.741 4.259 1.734 1.00 0.00 C ATOM 528 CE1 PHE A 34 -6.587 5.596 0.518 1.00 0.00 C ATOM 529 CE2 PHE A 34 -8.957 5.468 1.052 1.00 0.00 C ATOM 530 CZ PHE A 34 -7.880 6.142 0.451 1.00 0.00 C ATOM 0 H PHE A 34 -8.017 0.323 0.738 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.530 1.724 1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.163 2.011 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.620 2.612 3.430 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.377 3.976 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.570 3.744 2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.760 6.102 0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.953 5.881 0.989 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.046 7.078 -0.061 1.00 0.00 H new ATOM 540 N LEU A 35 -5.286 0.396 3.534 1.00 0.00 N ATOM 541 CA LEU A 35 -4.901 -0.552 4.543 1.00 0.00 C ATOM 542 C LEU A 35 -4.718 0.254 5.818 1.00 0.00 C ATOM 543 O LEU A 35 -3.877 1.148 5.845 1.00 0.00 O ATOM 544 CB LEU A 35 -3.612 -1.239 4.104 1.00 0.00 C ATOM 545 CG LEU A 35 -3.444 -2.530 4.889 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.661 -3.408 4.623 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.190 -3.258 4.422 1.00 0.00 C ATOM 0 H LEU A 35 -4.805 1.291 3.622 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.641 -1.336 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.644 -1.450 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.759 -0.582 4.274 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.352 -2.312 5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.564 -4.342 5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.563 -2.887 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.728 -3.623 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.074 -4.183 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.278 -3.491 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.319 -2.623 4.583 1.00 0.00 H new ATOM 559 N GLU A 36 -5.548 0.011 6.828 1.00 0.00 N ATOM 560 CA GLU A 36 -5.512 0.755 8.073 1.00 0.00 C ATOM 561 C GLU A 36 -4.909 -0.118 9.166 1.00 0.00 C ATOM 562 O GLU A 36 -5.649 -0.884 9.781 1.00 0.00 O ATOM 563 CB GLU A 36 -6.934 1.125 8.500 1.00 0.00 C ATOM 564 CG GLU A 36 -7.857 1.519 7.350 1.00 0.00 C ATOM 565 CD GLU A 36 -9.268 1.756 7.880 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.655 1.031 8.822 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.936 2.665 7.345 1.00 0.00 O ATOM 0 H GLU A 36 -6.267 -0.712 6.801 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.916 1.656 7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.373 0.279 9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.884 1.952 9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.484 2.421 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.869 0.733 6.595 1.00 0.00 H new ATOM 574 N LYS A 37 -3.608 -0.001 9.440 1.00 0.00 N ATOM 575 CA LYS A 37 -2.907 -0.753 10.463 1.00 0.00 C ATOM 576 C LYS A 37 -3.492 -0.440 11.831 1.00 0.00 C ATOM 577 O LYS A 37 -3.091 0.534 12.468 1.00 0.00 O ATOM 578 CB LYS A 37 -1.457 -0.312 10.400 1.00 0.00 C ATOM 579 CG LYS A 37 -0.726 -0.980 9.240 1.00 0.00 C ATOM 580 CD LYS A 37 0.682 -0.398 9.171 1.00 0.00 C ATOM 581 CE LYS A 37 1.352 -0.549 10.536 1.00 0.00 C ATOM 582 NZ LYS A 37 2.691 0.063 10.543 1.00 0.00 N ATOM 0 H LYS A 37 -3.000 0.644 8.935 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.000 -1.827 10.301 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.408 0.771 10.288 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.958 -0.558 11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.685 -2.059 9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.257 -0.805 8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.265 -0.913 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.641 0.653 8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.732 -0.083 11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.431 -1.606 10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.024 0.159 11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.351 -0.540 10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.646 1.002 10.099 1.00 0.00 H new ATOM 596 N ASP A 38 -4.480 -1.225 12.260 1.00 0.00 N ATOM 597 CA ASP A 38 -5.247 -0.943 13.461 1.00 0.00 C ATOM 598 C ASP A 38 -5.786 0.487 13.376 1.00 0.00 C ATOM 599 O ASP A 38 -5.891 1.179 14.386 1.00 0.00 O ATOM 600 CB ASP A 38 -4.368 -1.125 14.696 1.00 0.00 C ATOM 601 CG ASP A 38 -4.008 -2.586 14.910 1.00 0.00 C ATOM 602 OD1 ASP A 38 -4.846 -3.292 15.509 1.00 0.00 O ATOM 603 OD2 ASP A 38 -2.901 -2.968 14.472 1.00 0.00 O ATOM 0 H ASP A 38 -4.768 -2.077 11.778 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.085 -1.635 13.543 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.457 -0.537 14.586 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.889 -0.745 15.575 1.00 0.00 H new ATOM 608 N GLY A 39 -6.083 0.954 12.160 1.00 0.00 N ATOM 609 CA GLY A 39 -6.514 2.326 11.979 1.00 0.00 C ATOM 610 C GLY A 39 -5.504 3.154 11.181 1.00 0.00 C ATOM 611 O GLY A 39 -5.880 4.167 10.597 1.00 0.00 O ATOM 0 H GLY A 39 -6.031 0.404 11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.475 2.337 11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.668 2.787 12.954 1.00 0.00 H new ATOM 615 N LYS A 40 -4.229 2.746 11.124 1.00 0.00 N ATOM 616 CA LYS A 40 -3.200 3.472 10.393 1.00 0.00 C ATOM 617 C LYS A 40 -3.401 3.221 8.903 1.00 0.00 C ATOM 618 O LYS A 40 -2.696 2.408 8.307 1.00 0.00 O ATOM 619 CB LYS A 40 -1.802 2.993 10.799 1.00 0.00 C ATOM 620 CG LYS A 40 -1.541 2.870 12.302 1.00 0.00 C ATOM 621 CD LYS A 40 -1.854 4.145 13.086 1.00 0.00 C ATOM 622 CE LYS A 40 -3.316 4.128 13.531 1.00 0.00 C ATOM 623 NZ LYS A 40 -3.610 2.919 14.323 1.00 0.00 N ATOM 0 H LYS A 40 -3.889 1.902 11.586 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.280 4.535 10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.626 2.020 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.068 3.681 10.379 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.142 2.052 12.700 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.496 2.604 12.460 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.200 4.219 13.955 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.662 5.021 12.467 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.530 5.017 14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.967 4.163 12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.459 3.081 14.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.775 2.116 13.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.804 2.706 14.944 1.00 0.00 H new ATOM 637 N LYS A 41 -4.408 3.866 8.326 1.00 0.00 N ATOM 638 CA LYS A 41 -4.796 3.656 6.950 1.00 0.00 C ATOM 639 C LYS A 41 -3.914 4.388 5.949 1.00 0.00 C ATOM 640 O LYS A 41 -3.494 5.526 6.150 1.00 0.00 O ATOM 641 CB LYS A 41 -6.273 4.013 6.821 1.00 0.00 C ATOM 642 CG LYS A 41 -6.699 4.360 5.396 1.00 0.00 C ATOM 643 CD LYS A 41 -6.380 5.833 5.140 1.00 0.00 C ATOM 644 CE LYS A 41 -6.670 6.169 3.681 1.00 0.00 C ATOM 645 NZ LYS A 41 -6.356 7.575 3.382 1.00 0.00 N ATOM 0 H LYS A 41 -4.980 4.556 8.812 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.649 2.607 6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.873 3.175 7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.491 4.859 7.472 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.174 3.729 4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.765 4.175 5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.978 6.465 5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.334 6.035 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.084 5.518 3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.720 5.975 3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.564 7.772 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.934 8.195 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.348 7.753 3.567 1.00 0.00 H new ATOM 659 N VAL A 42 -3.710 3.709 4.826 1.00 0.00 N ATOM 660 CA VAL A 42 -2.913 4.158 3.700 1.00 0.00 C ATOM 661 C VAL A 42 -3.452 3.576 2.412 1.00 0.00 C ATOM 662 O VAL A 42 -4.291 2.684 2.439 1.00 0.00 O ATOM 663 CB VAL A 42 -1.486 3.666 3.905 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.520 2.142 4.012 1.00 0.00 C ATOM 665 CG2 VAL A 42 -0.553 4.088 2.781 1.00 0.00 C ATOM 0 H VAL A 42 -4.117 2.786 4.673 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.946 5.246 3.637 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.094 4.116 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.508 1.765 4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.143 1.850 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.934 1.722 3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.450 3.710 2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.914 3.681 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.525 5.176 2.720 1.00 0.00 H new ATOM 675 N ASN A 43 -2.958 4.072 1.282 1.00 0.00 N ATOM 676 CA ASN A 43 -3.322 3.584 -0.034 1.00 0.00 C ATOM 677 C ASN A 43 -2.817 2.170 -0.206 1.00 0.00 C ATOM 678 O ASN A 43 -1.656 1.953 -0.544 1.00 0.00 O ATOM 679 CB ASN A 43 -2.683 4.440 -1.118 1.00 0.00 C ATOM 680 CG ASN A 43 -3.245 5.841 -1.237 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.946 6.341 -0.363 1.00 0.00 O ATOM 682 ND2 ASN A 43 -2.898 6.494 -2.333 1.00 0.00 N ATOM 0 H ASN A 43 -2.283 4.836 1.260 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.408 3.624 -0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.613 4.509 -0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.800 3.934 -2.076 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.215 7.453 -2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.313 6.039 -3.034 1.00 0.00 H new ATOM 689 N ALA A 44 -3.731 1.225 -0.029 1.00 0.00 N ATOM 690 CA ALA A 44 -3.501 -0.201 -0.160 1.00 0.00 C ATOM 691 C ALA A 44 -2.796 -0.539 -1.469 1.00 0.00 C ATOM 692 O ALA A 44 -1.881 -1.355 -1.510 1.00 0.00 O ATOM 693 CB ALA A 44 -4.848 -0.919 -0.127 1.00 0.00 C ATOM 0 H ALA A 44 -4.695 1.445 0.221 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.863 -0.522 0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.690 -1.993 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.349 -0.710 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.468 -0.567 -0.951 1.00 0.00 H new ATOM 699 N LYS A 45 -3.240 0.113 -2.541 1.00 0.00 N ATOM 700 CA LYS A 45 -2.725 -0.113 -3.879 1.00 0.00 C ATOM 701 C LYS A 45 -1.495 0.744 -4.198 1.00 0.00 C ATOM 702 O LYS A 45 -0.905 0.604 -5.269 1.00 0.00 O ATOM 703 CB LYS A 45 -3.844 0.199 -4.869 1.00 0.00 C ATOM 704 CG LYS A 45 -4.293 1.652 -4.711 1.00 0.00 C ATOM 705 CD LYS A 45 -5.069 2.098 -5.948 1.00 0.00 C ATOM 706 CE LYS A 45 -6.415 1.378 -6.054 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.101 1.702 -7.317 1.00 0.00 N ATOM 0 H LYS A 45 -3.975 0.819 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.402 -1.152 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.498 0.026 -5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.687 -0.471 -4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.918 1.753 -3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.425 2.295 -4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.233 3.175 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.477 1.899 -6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.259 0.301 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.047 1.660 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.951 1.110 -7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.376 2.705 -7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.461 1.520 -8.116 1.00 0.00 H new ATOM 721 N SER A 46 -1.143 1.676 -3.313 1.00 0.00 N ATOM 722 CA SER A 46 -0.049 2.597 -3.535 1.00 0.00 C ATOM 723 C SER A 46 1.239 2.247 -2.802 1.00 0.00 C ATOM 724 O SER A 46 1.256 1.473 -1.850 1.00 0.00 O ATOM 725 CB SER A 46 -0.467 3.968 -3.027 1.00 0.00 C ATOM 726 OG SER A 46 -1.499 4.530 -3.819 1.00 0.00 O ATOM 0 H SER A 46 -1.617 1.807 -2.419 1.00 0.00 H new ATOM 0 HA SER A 46 0.155 2.558 -4.605 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.805 3.885 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.396 4.634 -3.027 1.00 0.00 H new ATOM 0 HG SER A 46 -1.144 5.289 -4.328 1.00 0.00 H new ATOM 732 N ILE A 47 2.298 2.944 -3.220 1.00 0.00 N ATOM 733 CA ILE A 47 3.631 2.967 -2.628 1.00 0.00 C ATOM 734 C ILE A 47 3.570 3.011 -1.106 1.00 0.00 C ATOM 735 O ILE A 47 4.138 2.158 -0.436 1.00 0.00 O ATOM 736 CB ILE A 47 4.386 4.193 -3.177 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.662 4.532 -2.395 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.504 5.444 -3.213 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.350 5.358 -1.142 1.00 0.00 C ATOM 0 H ILE A 47 2.239 3.549 -4.039 1.00 0.00 H new ATOM 0 HA ILE A 47 4.157 2.051 -2.896 1.00 0.00 H new ATOM 0 HB ILE A 47 4.668 3.902 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.170 3.611 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.347 5.087 -3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.078 6.283 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.641 5.262 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.164 5.679 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.277 5.580 -0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.866 6.290 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.686 4.792 -0.489 1.00 0.00 H new ATOM 751 N MET A 48 2.891 4.019 -0.556 1.00 0.00 N ATOM 752 CA MET A 48 2.814 4.203 0.882 1.00 0.00 C ATOM 753 C MET A 48 2.056 3.056 1.549 1.00 0.00 C ATOM 754 O MET A 48 2.226 2.806 2.743 1.00 0.00 O ATOM 755 CB MET A 48 2.175 5.557 1.165 1.00 0.00 C ATOM 756 CG MET A 48 2.108 5.793 2.673 1.00 0.00 C ATOM 757 SD MET A 48 1.075 7.192 3.160 1.00 0.00 S ATOM 758 CE MET A 48 1.170 7.007 4.952 1.00 0.00 C ATOM 0 H MET A 48 2.385 4.722 -1.095 1.00 0.00 H new ATOM 0 HA MET A 48 3.816 4.190 1.310 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.753 6.349 0.689 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.173 5.593 0.737 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.729 4.891 3.154 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.118 5.954 3.049 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.170 7.991 5.420 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.310 6.438 5.305 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.087 6.480 5.215 1.00 0.00 H new ATOM 768 N GLY A 49 1.193 2.369 0.804 1.00 0.00 N ATOM 769 CA GLY A 49 0.549 1.202 1.343 1.00 0.00 C ATOM 770 C GLY A 49 1.608 0.109 1.340 1.00 0.00 C ATOM 771 O GLY A 49 2.029 -0.303 2.412 1.00 0.00 O ATOM 0 H GLY A 49 0.935 2.604 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.182 1.388 2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.311 0.915 0.738 1.00 0.00 H new ATOM 775 N LEU A 50 2.087 -0.306 0.161 1.00 0.00 N ATOM 776 CA LEU A 50 3.115 -1.334 0.019 1.00 0.00 C ATOM 777 C LEU A 50 4.283 -1.143 0.982 1.00 0.00 C ATOM 778 O LEU A 50 4.492 -1.920 1.907 1.00 0.00 O ATOM 779 CB LEU A 50 3.704 -1.269 -1.389 1.00 0.00 C ATOM 780 CG LEU A 50 3.171 -2.368 -2.305 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.424 -1.974 -3.757 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.885 -3.694 -2.033 1.00 0.00 C ATOM 0 H LEU A 50 1.765 0.070 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 50 2.627 -2.285 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.479 -0.297 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.789 -1.348 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 50 2.104 -2.489 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.046 -2.755 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.913 -1.036 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.495 -1.849 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.490 -4.463 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.954 -3.575 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.721 -3.990 -0.997 1.00 0.00 H new ATOM 794 N MET A 51 5.069 -0.103 0.736 1.00 0.00 N ATOM 795 CA MET A 51 6.290 0.133 1.461 1.00 0.00 C ATOM 796 C MET A 51 6.047 0.596 2.894 1.00 0.00 C ATOM 797 O MET A 51 6.765 0.186 3.799 1.00 0.00 O ATOM 798 CB MET A 51 7.090 1.184 0.695 1.00 0.00 C ATOM 799 CG MET A 51 8.394 1.523 1.414 1.00 0.00 C ATOM 800 SD MET A 51 9.231 2.977 0.744 1.00 0.00 S ATOM 801 CE MET A 51 7.849 4.139 0.808 1.00 0.00 C ATOM 0 H MET A 51 4.868 0.598 0.023 1.00 0.00 H new ATOM 0 HA MET A 51 6.838 -0.806 1.536 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.310 0.817 -0.308 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.491 2.087 0.579 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.184 1.689 2.471 1.00 0.00 H new ATOM 0 HG3 MET A 51 9.066 0.667 1.353 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.219 5.153 0.654 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.130 3.892 0.027 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.364 4.074 1.782 1.00 0.00 H new ATOM 811 N SER A 52 5.106 1.518 3.091 1.00 0.00 N ATOM 812 CA SER A 52 4.891 2.107 4.400 1.00 0.00 C ATOM 813 C SER A 52 4.022 1.277 5.349 1.00 0.00 C ATOM 814 O SER A 52 4.531 0.656 6.276 1.00 0.00 O ATOM 815 CB SER A 52 4.361 3.531 4.242 1.00 0.00 C ATOM 816 OG SER A 52 5.133 4.243 3.291 1.00 0.00 O ATOM 0 H SER A 52 4.486 1.868 2.361 1.00 0.00 H new ATOM 0 HA SER A 52 5.865 2.127 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.318 3.505 3.927 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.391 4.045 5.202 1.00 0.00 H new ATOM 0 HG SER A 52 5.134 5.196 3.518 1.00 0.00 H new ATOM 822 N LEU A 53 2.699 1.321 5.181 1.00 0.00 N ATOM 823 CA LEU A 53 1.795 0.699 6.140 1.00 0.00 C ATOM 824 C LEU A 53 1.634 -0.801 5.934 1.00 0.00 C ATOM 825 O LEU A 53 1.923 -1.606 6.821 1.00 0.00 O ATOM 826 CB LEU A 53 0.440 1.388 6.108 1.00 0.00 C ATOM 827 CG LEU A 53 0.548 2.813 6.642 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.422 2.862 7.893 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.128 3.735 5.573 1.00 0.00 C ATOM 0 H LEU A 53 2.236 1.778 4.395 1.00 0.00 H new ATOM 0 HA LEU A 53 2.249 0.826 7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.059 1.405 5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.275 0.823 6.706 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.454 3.152 6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.483 3.889 8.254 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.985 2.231 8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.422 2.502 7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.200 4.749 5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.121 3.385 5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.478 3.731 4.698 1.00 0.00 H new ATOM 841 N ALA A 54 1.147 -1.159 4.748 1.00 0.00 N ATOM 842 CA ALA A 54 0.874 -2.514 4.309 1.00 0.00 C ATOM 843 C ALA A 54 2.111 -3.408 4.379 1.00 0.00 C ATOM 844 O ALA A 54 1.972 -4.626 4.357 1.00 0.00 O ATOM 845 CB ALA A 54 0.279 -2.467 2.902 1.00 0.00 C ATOM 0 H ALA A 54 0.922 -0.468 4.032 1.00 0.00 H new ATOM 0 HA ALA A 54 0.151 -2.965 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.070 -3.481 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.646 -1.891 2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.989 -1.995 2.222 1.00 0.00 H new ATOM 851 N VAL A 55 3.311 -2.842 4.498 1.00 0.00 N ATOM 852 CA VAL A 55 4.515 -3.633 4.689 1.00 0.00 C ATOM 853 C VAL A 55 4.551 -4.292 6.077 1.00 0.00 C ATOM 854 O VAL A 55 5.412 -5.120 6.366 1.00 0.00 O ATOM 855 CB VAL A 55 5.745 -2.759 4.451 1.00 0.00 C ATOM 856 CG1 VAL A 55 5.996 -1.847 5.650 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.966 -3.647 4.223 1.00 0.00 C ATOM 0 H VAL A 55 3.470 -1.835 4.465 1.00 0.00 H new ATOM 0 HA VAL A 55 4.515 -4.445 3.962 1.00 0.00 H new ATOM 0 HB VAL A 55 5.568 -2.140 3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.876 -1.232 5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.130 -1.203 5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.161 -2.454 6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.843 -3.023 4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.130 -4.272 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.798 -4.281 3.352 1.00 0.00 H new ATOM 867 N SER A 56 3.623 -3.946 6.969 1.00 0.00 N ATOM 868 CA SER A 56 3.657 -4.491 8.311 1.00 0.00 C ATOM 869 C SER A 56 3.057 -5.893 8.402 1.00 0.00 C ATOM 870 O SER A 56 2.007 -6.077 9.024 1.00 0.00 O ATOM 871 CB SER A 56 2.972 -3.514 9.266 1.00 0.00 C ATOM 872 OG SER A 56 3.470 -2.207 9.046 1.00 0.00 O ATOM 0 H SER A 56 2.854 -3.302 6.785 1.00 0.00 H new ATOM 0 HA SER A 56 4.701 -4.609 8.603 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.893 -3.534 9.111 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.151 -3.813 10.299 1.00 0.00 H new ATOM 0 HG SER A 56 3.097 -1.851 8.213 1.00 0.00 H new ATOM 878 N THR A 57 3.729 -6.876 7.800 1.00 0.00 N ATOM 879 CA THR A 57 3.344 -8.276 7.848 1.00 0.00 C ATOM 880 C THR A 57 2.947 -8.711 9.263 1.00 0.00 C ATOM 881 O THR A 57 3.758 -8.677 10.185 1.00 0.00 O ATOM 882 CB THR A 57 4.496 -9.138 7.328 1.00 0.00 C ATOM 883 OG1 THR A 57 5.224 -8.444 6.335 1.00 0.00 O ATOM 884 CG2 THR A 57 3.890 -10.402 6.732 1.00 0.00 C ATOM 0 H THR A 57 4.575 -6.710 7.254 1.00 0.00 H new ATOM 0 HA THR A 57 2.468 -8.410 7.213 1.00 0.00 H new ATOM 0 HB THR A 57 5.181 -9.380 8.140 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.958 -9.008 6.014 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.686 -11.042 6.350 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.333 -10.936 7.502 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.218 -10.134 5.917 1.00 0.00 H new ATOM 892 N GLY A 58 1.684 -9.103 9.434 1.00 0.00 N ATOM 893 CA GLY A 58 1.147 -9.542 10.710 1.00 0.00 C ATOM 894 C GLY A 58 0.294 -8.479 11.407 1.00 0.00 C ATOM 895 O GLY A 58 -0.301 -8.763 12.443 1.00 0.00 O ATOM 0 H GLY A 58 1.001 -9.123 8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.544 -10.437 10.554 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.971 -9.823 11.365 1.00 0.00 H new ATOM 899 N THR A 59 0.186 -7.271 10.853 1.00 0.00 N ATOM 900 CA THR A 59 -0.587 -6.220 11.505 1.00 0.00 C ATOM 901 C THR A 59 -2.043 -6.306 11.071 1.00 0.00 C ATOM 902 O THR A 59 -2.307 -6.392 9.874 1.00 0.00 O ATOM 903 CB THR A 59 -0.031 -4.843 11.139 1.00 0.00 C ATOM 904 OG1 THR A 59 1.367 -4.808 11.322 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.661 -3.760 12.011 1.00 0.00 C ATOM 0 H THR A 59 0.617 -7.001 9.969 1.00 0.00 H new ATOM 0 HA THR A 59 -0.517 -6.357 12.584 1.00 0.00 H new ATOM 0 HB THR A 59 -0.270 -4.658 10.092 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.800 -5.362 10.640 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.253 -2.788 11.735 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.741 -3.755 11.862 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.440 -3.962 13.059 1.00 0.00 H new ATOM 913 N GLU A 60 -2.998 -6.270 12.000 1.00 0.00 N ATOM 914 CA GLU A 60 -4.393 -6.276 11.594 1.00 0.00 C ATOM 915 C GLU A 60 -4.717 -4.904 11.014 1.00 0.00 C ATOM 916 O GLU A 60 -4.818 -3.911 11.731 1.00 0.00 O ATOM 917 CB GLU A 60 -5.324 -6.641 12.746 1.00 0.00 C ATOM 918 CG GLU A 60 -4.801 -7.841 13.536 1.00 0.00 C ATOM 919 CD GLU A 60 -4.776 -9.099 12.683 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.807 -9.363 12.028 1.00 0.00 O ATOM 921 OE2 GLU A 60 -3.725 -9.775 12.705 1.00 0.00 O ATOM 0 H GLU A 60 -2.835 -6.237 13.006 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.552 -7.045 10.838 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.431 -5.785 13.412 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.316 -6.867 12.355 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.797 -7.628 13.902 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.431 -8.005 14.410 1.00 0.00 H new ATOM 928 N VAL A 61 -4.822 -4.839 9.696 1.00 0.00 N ATOM 929 CA VAL A 61 -5.036 -3.603 8.986 1.00 0.00 C ATOM 930 C VAL A 61 -6.300 -3.713 8.138 1.00 0.00 C ATOM 931 O VAL A 61 -6.560 -4.743 7.513 1.00 0.00 O ATOM 932 CB VAL A 61 -3.777 -3.292 8.173 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.547 -3.323 9.075 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.517 -4.381 7.147 1.00 0.00 C ATOM 0 H VAL A 61 -4.759 -5.656 9.089 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.200 -2.769 9.668 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.937 -2.318 7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.658 -3.100 8.485 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.655 -2.578 9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.448 -4.312 9.521 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.618 -4.140 6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.380 -5.335 7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.366 -4.451 6.467 1.00 0.00 H new ATOM 944 N THR A 62 -7.113 -2.661 8.147 1.00 0.00 N ATOM 945 CA THR A 62 -8.373 -2.656 7.425 1.00 0.00 C ATOM 946 C THR A 62 -8.162 -2.336 5.958 1.00 0.00 C ATOM 947 O THR A 62 -7.685 -1.251 5.630 1.00 0.00 O ATOM 948 CB THR A 62 -9.317 -1.631 8.043 1.00 0.00 C ATOM 949 OG1 THR A 62 -9.152 -1.591 9.444 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.767 -1.986 7.725 1.00 0.00 C ATOM 0 H THR A 62 -6.916 -1.797 8.652 1.00 0.00 H new ATOM 0 HA THR A 62 -8.811 -3.651 7.498 1.00 0.00 H new ATOM 0 HB THR A 62 -9.079 -0.655 7.621 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.261 -0.670 9.760 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.430 -1.245 8.173 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.911 -1.995 6.645 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.998 -2.971 8.130 1.00 0.00 H new ATOM 958 N LEU A 63 -8.519 -3.262 5.076 1.00 0.00 N ATOM 959 CA LEU A 63 -8.430 -3.038 3.663 1.00 0.00 C ATOM 960 C LEU A 63 -9.659 -2.287 3.204 1.00 0.00 C ATOM 961 O LEU A 63 -10.779 -2.792 3.257 1.00 0.00 O ATOM 962 CB LEU A 63 -8.298 -4.369 2.956 1.00 0.00 C ATOM 963 CG LEU A 63 -6.833 -4.752 3.067 1.00 0.00 C ATOM 964 CD1 LEU A 63 -6.622 -5.596 4.318 1.00 0.00 C ATOM 965 CD2 LEU A 63 -6.432 -5.500 1.811 1.00 0.00 C ATOM 0 H LEU A 63 -8.876 -4.182 5.333 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.552 -2.437 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.935 -5.123 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.604 -4.290 1.913 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.206 -3.865 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.570 -5.871 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.915 -5.023 5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.229 -6.499 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.381 -5.782 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.043 -6.397 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.583 -4.859 0.942 1.00 0.00 H new ATOM 977 N ILE A 64 -9.426 -1.049 2.798 1.00 0.00 N ATOM 978 CA ILE A 64 -10.443 -0.163 2.297 1.00 0.00 C ATOM 979 C ILE A 64 -10.446 -0.200 0.782 1.00 0.00 C ATOM 980 O ILE A 64 -9.478 -0.599 0.137 1.00 0.00 O ATOM 981 CB ILE A 64 -10.136 1.280 2.722 1.00 0.00 C ATOM 982 CG1 ILE A 64 -9.669 1.381 4.170 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.373 2.159 2.543 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.562 2.850 4.555 1.00 0.00 C ATOM 0 H ILE A 64 -8.496 -0.630 2.812 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.406 -0.482 2.696 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.325 1.624 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.371 0.869 4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.704 0.889 4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.141 3.180 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.675 2.153 1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.186 1.772 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.228 2.932 5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.844 3.346 3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.537 3.326 4.450 1.00 0.00 H new ATOM 996 N ALA A 65 -11.542 0.269 0.225 1.00 0.00 N ATOM 997 CA ALA A 65 -11.677 0.590 -1.160 1.00 0.00 C ATOM 998 C ALA A 65 -12.752 1.636 -1.139 1.00 0.00 C ATOM 999 O ALA A 65 -13.852 1.420 -0.630 1.00 0.00 O ATOM 1000 CB ALA A 65 -12.033 -0.604 -2.026 1.00 0.00 C ATOM 0 H ALA A 65 -12.395 0.441 0.758 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.745 0.932 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.119 -0.287 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.253 -1.360 -1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.983 -1.024 -1.695 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.373 2.816 -1.580 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.302 3.896 -1.654 1.00 0.00 C ATOM 1008 C GLN A 66 -13.335 4.322 -3.100 1.00 0.00 C ATOM 1009 O GLN A 66 -12.771 5.329 -3.511 1.00 0.00 O ATOM 1010 CB GLN A 66 -12.879 4.952 -0.648 1.00 0.00 C ATOM 1011 CG GLN A 66 -13.733 6.206 -0.752 1.00 0.00 C ATOM 1012 CD GLN A 66 -12.951 7.369 -1.345 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -13.383 7.992 -2.307 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -11.794 7.664 -0.762 1.00 0.00 N ATOM 0 H GLN A 66 -11.427 3.041 -1.890 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.327 3.647 -1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.954 4.544 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.833 5.210 -0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.607 6.001 -1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.100 6.480 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.472 7.118 0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.228 8.436 -1.114 1.00 0.00 H new ATOM 1023 N GLY A 67 -13.906 3.430 -3.889 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.022 3.569 -5.314 1.00 0.00 C ATOM 1025 C GLY A 67 -15.329 2.954 -5.747 1.00 0.00 C ATOM 1026 O GLY A 67 -16.277 2.825 -4.967 1.00 0.00 O ATOM 0 H GLY A 67 -14.312 2.564 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.986 4.621 -5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.187 3.076 -5.812 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.349 2.563 -7.009 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.433 1.851 -7.624 1.00 0.00 C ATOM 1032 C GLU A 68 -16.519 0.466 -7.008 1.00 0.00 C ATOM 1033 O GLU A 68 -17.576 0.084 -6.518 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.124 1.792 -9.110 1.00 0.00 C ATOM 1035 CG GLU A 68 -16.213 3.200 -9.703 1.00 0.00 C ATOM 1036 CD GLU A 68 -17.615 3.782 -9.580 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -18.037 4.016 -8.424 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -18.239 3.981 -10.642 1.00 0.00 O ATOM 0 H GLU A 68 -14.577 2.744 -7.650 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.396 2.337 -7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.127 1.380 -9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.827 1.128 -9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.503 3.853 -9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.923 3.170 -10.753 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.403 -0.265 -6.964 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.410 -1.556 -6.317 1.00 0.00 C ATOM 1047 C ASP A 69 -14.969 -1.251 -4.908 1.00 0.00 C ATOM 1048 O ASP A 69 -13.908 -1.705 -4.510 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.432 -2.520 -6.986 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.483 -2.472 -8.504 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -15.536 -2.854 -9.057 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -13.446 -2.069 -9.076 1.00 0.00 O ATOM 0 H ASP A 69 -14.507 0.016 -7.362 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.385 -2.040 -6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.420 -2.287 -6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.649 -3.535 -6.654 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.668 -0.387 -4.176 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.239 -0.064 -2.848 1.00 0.00 C ATOM 1059 C GLU A 70 -15.426 -1.305 -1.998 1.00 0.00 C ATOM 1060 O GLU A 70 -14.445 -1.939 -1.618 1.00 0.00 O ATOM 1061 CB GLU A 70 -15.954 1.197 -2.357 1.00 0.00 C ATOM 1062 CG GLU A 70 -17.444 1.119 -2.007 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.325 0.884 -3.222 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.711 1.885 -3.866 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.564 -0.312 -3.491 1.00 0.00 O ATOM 0 H GLU A 70 -16.517 0.086 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.182 0.198 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.426 1.550 -1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.836 1.962 -3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.602 0.314 -1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.746 2.046 -1.519 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.684 -1.710 -1.819 1.00 0.00 N ATOM 1073 CA GLN A 71 -17.040 -2.879 -1.045 1.00 0.00 C ATOM 1074 C GLN A 71 -16.252 -4.095 -1.517 1.00 0.00 C ATOM 1075 O GLN A 71 -15.696 -4.826 -0.700 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.548 -3.117 -1.162 1.00 0.00 C ATOM 1077 CG GLN A 71 -19.001 -4.235 -0.221 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.584 -3.924 1.206 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -17.353 -4.277 1.550 1.00 0.00 O flip ATOM 1080 NE2 GLN A 71 -19.338 -3.333 1.970 1.00 0.00 N flip ATOM 0 H GLN A 71 -17.487 -1.223 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.788 -2.714 0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -19.084 -2.198 -0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.800 -3.378 -2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -20.084 -4.348 -0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -18.566 -5.183 -0.536 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -20.278 -3.080 1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -19.026 -3.094 2.911 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.193 -4.274 -2.836 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.538 -5.391 -3.470 1.00 0.00 C ATOM 1091 C GLU A 72 -14.048 -5.386 -3.176 1.00 0.00 C ATOM 1092 O GLU A 72 -13.497 -6.375 -2.693 1.00 0.00 O ATOM 1093 CB GLU A 72 -15.766 -5.240 -4.973 1.00 0.00 C ATOM 1094 CG GLU A 72 -14.857 -6.167 -5.774 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.110 -7.646 -5.509 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.256 -7.974 -5.136 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -14.143 -8.418 -5.691 1.00 0.00 O ATOM 0 H GLU A 72 -16.613 -3.624 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.943 -6.331 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.808 -5.459 -5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.583 -4.207 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.994 -5.968 -6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.818 -5.937 -5.538 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.402 -4.270 -3.509 1.00 0.00 N ATOM 1105 CA ALA A 73 -11.977 -4.133 -3.377 1.00 0.00 C ATOM 1106 C ALA A 73 -11.562 -4.374 -1.945 1.00 0.00 C ATOM 1107 O ALA A 73 -10.776 -5.271 -1.666 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.631 -2.726 -3.821 1.00 0.00 C ATOM 0 H ALA A 73 -13.866 -3.440 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.447 -4.864 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.555 -2.573 -3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.939 -2.585 -4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.150 -2.007 -3.187 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.128 -3.588 -1.036 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.811 -3.671 0.372 1.00 0.00 C ATOM 1116 C LEU A 74 -11.908 -5.115 0.885 1.00 0.00 C ATOM 1117 O LEU A 74 -10.977 -5.608 1.521 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.724 -2.681 1.092 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.177 -3.119 0.993 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.516 -4.036 2.153 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -15.109 -1.917 0.987 1.00 0.00 C ATOM 0 H LEU A 74 -12.821 -2.875 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.775 -3.395 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.432 -2.606 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.608 -1.689 0.656 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.312 -3.657 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.558 -4.347 2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -13.872 -4.915 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.362 -3.506 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -16.142 -2.258 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.977 -1.350 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.877 -1.281 0.133 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.995 -5.821 0.555 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.201 -7.162 1.065 1.00 0.00 C ATOM 1135 C GLU A 75 -12.300 -8.205 0.411 1.00 0.00 C ATOM 1136 O GLU A 75 -11.683 -8.998 1.122 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.677 -7.550 0.968 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.176 -7.522 -0.476 1.00 0.00 C ATOM 1139 CD GLU A 75 -16.631 -7.953 -0.568 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -16.846 -9.176 -0.713 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -17.499 -7.057 -0.481 1.00 0.00 O ATOM 0 H GLU A 75 -13.735 -5.481 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.912 -7.147 2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.819 -8.548 1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.273 -6.866 1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.067 -6.516 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.560 -8.181 -1.088 1.00 0.00 H new ATOM 1148 N LYS A 76 -12.199 -8.237 -0.922 1.00 0.00 N ATOM 1149 CA LYS A 76 -11.404 -9.291 -1.526 1.00 0.00 C ATOM 1150 C LYS A 76 -9.933 -9.036 -1.247 1.00 0.00 C ATOM 1151 O LYS A 76 -9.175 -9.968 -0.989 1.00 0.00 O ATOM 1152 CB LYS A 76 -11.775 -9.490 -2.995 1.00 0.00 C ATOM 1153 CG LYS A 76 -10.871 -8.808 -4.016 1.00 0.00 C ATOM 1154 CD LYS A 76 -11.175 -9.479 -5.356 1.00 0.00 C ATOM 1155 CE LYS A 76 -10.081 -9.205 -6.391 1.00 0.00 C ATOM 1156 NZ LYS A 76 -8.845 -9.929 -6.054 1.00 0.00 N ATOM 0 H LYS A 76 -12.635 -7.579 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.629 -10.255 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.783 -10.560 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.793 -9.129 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.070 -7.737 -4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.821 -8.926 -3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.275 -10.554 -5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.132 -9.118 -5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.426 -9.508 -7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.879 -8.135 -6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.153 -9.810 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.451 -9.550 -5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.057 -10.940 -5.933 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.554 -7.759 -1.235 1.00 0.00 N ATOM 1171 CA LEU A 77 -8.219 -7.354 -0.860 1.00 0.00 C ATOM 1172 C LEU A 77 -7.930 -7.814 0.560 1.00 0.00 C ATOM 1173 O LEU A 77 -6.926 -8.485 0.776 1.00 0.00 O ATOM 1174 CB LEU A 77 -8.065 -5.842 -0.985 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.725 -5.484 -2.428 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -6.565 -6.358 -2.821 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -8.785 -5.899 -3.429 1.00 0.00 C ATOM 0 H LEU A 77 -10.169 -6.985 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.499 -7.819 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.987 -5.345 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.280 -5.489 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.575 -4.405 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.279 -6.142 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.720 -6.160 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.854 -7.406 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.471 -5.610 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.921 -6.980 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.726 -5.406 -3.188 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.790 -7.472 1.528 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.584 -7.895 2.905 1.00 0.00 C ATOM 1191 C ALA A 78 -8.528 -9.420 3.008 1.00 0.00 C ATOM 1192 O ALA A 78 -7.789 -9.963 3.829 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.669 -7.313 3.804 1.00 0.00 C ATOM 0 H ALA A 78 -9.626 -6.908 1.378 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.622 -7.513 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.503 -7.637 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.635 -6.225 3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.646 -7.661 3.467 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.299 -10.129 2.184 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.237 -11.578 2.150 1.00 0.00 C ATOM 1201 C ALA A 79 -7.835 -12.009 1.726 1.00 0.00 C ATOM 1202 O ALA A 79 -7.177 -12.785 2.414 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.266 -12.095 1.149 1.00 0.00 C ATOM 0 H ALA A 79 -9.970 -9.719 1.535 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.455 -11.987 3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.227 -13.184 1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.263 -11.777 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.045 -11.694 0.160 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.378 -11.462 0.600 1.00 0.00 N ATOM 1210 CA TYR A 80 -6.099 -11.779 -0.001 1.00 0.00 C ATOM 1211 C TYR A 80 -4.920 -11.491 0.927 1.00 0.00 C ATOM 1212 O TYR A 80 -4.093 -12.364 1.188 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.981 -10.955 -1.278 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.720 -11.251 -2.054 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.423 -12.576 -2.417 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.747 -10.248 -2.203 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -3.156 -12.895 -2.935 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.480 -10.570 -2.721 1.00 0.00 C ATOM 1219 CZ TYR A 80 -2.187 -11.892 -3.091 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.933 -12.216 -3.515 1.00 0.00 O ATOM 0 H TYR A 80 -7.908 -10.768 0.072 1.00 0.00 H new ATOM 0 HA TYR A 80 -6.061 -12.848 -0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.846 -11.151 -1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.005 -9.895 -1.024 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.168 -13.349 -2.298 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.972 -9.230 -1.920 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.928 -13.913 -3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.732 -9.800 -2.834 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.800 -13.184 -3.435 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.842 -10.254 1.415 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.760 -9.744 2.244 1.00 0.00 C ATOM 1232 C VAL A 81 -3.454 -10.603 3.455 1.00 0.00 C ATOM 1233 O VAL A 81 -2.297 -10.704 3.835 1.00 0.00 O ATOM 1234 CB VAL A 81 -4.098 -8.340 2.718 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.292 -7.477 1.488 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.380 -8.389 3.540 1.00 0.00 C ATOM 0 H VAL A 81 -5.562 -9.554 1.234 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.871 -9.752 1.614 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.303 -7.929 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.537 -6.459 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.374 -7.469 0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.105 -7.881 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.630 -7.385 3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.193 -8.774 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.236 -9.042 4.400 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.465 -11.196 4.080 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.255 -12.033 5.249 1.00 0.00 C ATOM 1248 C GLN A 82 -4.161 -13.522 4.881 1.00 0.00 C ATOM 1249 O GLN A 82 -3.996 -14.376 5.751 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.476 -11.830 6.139 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.657 -12.447 5.402 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.918 -12.468 6.237 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -8.871 -11.638 5.849 1.00 0.00 O flip ATOM 1254 NE2 GLN A 82 -8.033 -13.209 7.205 1.00 0.00 N flip ATOM 0 H GLN A 82 -5.440 -11.110 3.793 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.319 -11.758 5.736 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.332 -12.306 7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.647 -10.770 6.327 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.842 -11.886 4.486 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.404 -13.465 5.107 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.268 -13.832 7.464 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.894 -13.203 7.752 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.313 -13.825 3.592 1.00 0.00 N ATOM 1264 CA GLU A 83 -4.549 -15.151 3.069 1.00 0.00 C ATOM 1265 C GLU A 83 -3.315 -16.011 2.805 1.00 0.00 C ATOM 1266 O GLU A 83 -3.081 -16.992 3.506 1.00 0.00 O ATOM 1267 CB GLU A 83 -5.363 -14.914 1.799 1.00 0.00 C ATOM 1268 CG GLU A 83 -5.815 -16.180 1.076 1.00 0.00 C ATOM 1269 CD GLU A 83 -6.527 -15.807 -0.218 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -6.115 -14.792 -0.823 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -7.472 -16.543 -0.575 1.00 0.00 O ATOM 0 H GLU A 83 -4.272 -13.115 2.860 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.063 -15.748 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.244 -14.326 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.768 -14.314 1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.955 -16.813 0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.482 -16.757 1.716 1.00 0.00 H new ATOM 1278 N GLU A 84 -2.513 -15.678 1.793 1.00 0.00 N ATOM 1279 CA GLU A 84 -1.443 -16.574 1.369 1.00 0.00 C ATOM 1280 C GLU A 84 -0.157 -16.390 2.168 1.00 0.00 C ATOM 1281 O GLU A 84 0.871 -16.011 1.623 1.00 0.00 O ATOM 1282 CB GLU A 84 -1.194 -16.418 -0.124 1.00 0.00 C ATOM 1283 CG GLU A 84 -0.770 -14.977 -0.371 1.00 0.00 C ATOM 1284 CD GLU A 84 -0.037 -14.801 -1.692 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -0.730 -14.793 -2.733 1.00 0.00 O ATOM 1286 OE2 GLU A 84 1.202 -14.653 -1.638 1.00 0.00 O ATOM 0 H GLU A 84 -2.583 -14.810 1.262 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.775 -17.592 1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.419 -17.108 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.095 -16.654 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.652 -14.336 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.126 -14.647 0.444 1.00 0.00 H new ATOM 1293 N VAL A 85 -0.272 -16.633 3.469 1.00 0.00 N ATOM 1294 CA VAL A 85 0.745 -16.567 4.521 1.00 0.00 C ATOM 1295 C VAL A 85 2.150 -16.204 4.031 1.00 0.00 C ATOM 1296 O VAL A 85 2.949 -17.083 3.583 1.00 0.00 O ATOM 1297 CB VAL A 85 0.769 -17.914 5.347 1.00 0.00 C ATOM 1298 CG1 VAL A 85 1.002 -19.218 4.534 1.00 0.00 C ATOM 1299 CG2 VAL A 85 1.831 -17.940 6.473 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.524 -14.991 4.073 1.00 0.00 O ATOM 0 H VAL A 85 -1.174 -16.911 3.857 1.00 0.00 H new ATOM 0 HA VAL A 85 0.447 -15.740 5.166 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.247 -17.910 5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.998 -20.074 5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.208 -19.334 3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.964 -19.162 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.785 -18.896 6.994 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.823 -17.809 6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.633 -17.133 7.178 1.00 0.00 H new TER 1310 VAL A 85