USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 730 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0.51 (180deg=0.506) USER MOD Single : A 14 ASN : amide:sc= 1.13 K(o=1.1,f=-0.014) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 1.03 (180deg=0.919) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -144:sc= 0.618 (180deg=-0.439) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -39:sc= 1.25 USER MOD Single : A 47 MET CE :methyl 179:sc= -1.33 (180deg=-1.35) USER MOD Single : A 53 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 55 LYS NZ :NH3+ -136:sc= -0.871 (180deg=-2.71!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -5:sc= 1.25 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 76 MET CE :methyl 173:sc= -1.07 (180deg=-1.13) USER MOD Single : A 79 GLN : amide:sc= -0.714 X(o=-0.71,f=-0.65) USER MOD Single : A 81 MET CE :methyl -158:sc= -0.0455 (180deg=-0.0834) USER MOD Single : A 84 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.25) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 90 HIS : no HD1:sc=-0.00616 X(o=-0.0062,f=0) USER MOD Single : A 91 GLN : amide:sc= 0.579 K(o=0.58,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.409 15.089 2.972 1.00 1.00 N ATOM 2 CA MET A 1 -6.433 14.046 3.140 1.00 1.00 C ATOM 3 C MET A 1 -7.371 14.088 1.941 1.00 1.00 C ATOM 4 O MET A 1 -7.296 14.985 1.092 1.00 1.00 O ATOM 5 CB MET A 1 -7.204 14.221 4.459 1.00 1.00 C ATOM 6 CG MET A 1 -7.913 12.953 4.953 1.00 1.00 C ATOM 7 SD MET A 1 -8.873 13.222 6.460 1.00 1.00 S ATOM 8 CE MET A 1 -10.501 13.429 5.691 1.00 1.00 C ATOM 0 H1 MET A 1 -4.780 15.095 3.800 1.00 1.00 H new ATOM 0 H2 MET A 1 -4.852 14.894 2.116 1.00 1.00 H new ATOM 0 H3 MET A 1 -5.870 16.017 2.881 1.00 1.00 H new ATOM 0 HA MET A 1 -5.950 13.070 3.190 1.00 1.00 H new ATOM 0 HB2 MET A 1 -6.510 14.558 5.229 1.00 1.00 H new ATOM 0 HB3 MET A 1 -7.945 15.010 4.330 1.00 1.00 H new ATOM 0 HG2 MET A 1 -8.574 12.584 4.169 1.00 1.00 H new ATOM 0 HG3 MET A 1 -7.171 12.176 5.136 1.00 1.00 H new ATOM 0 HE1 MET A 1 -11.248 13.608 6.464 1.00 1.00 H new ATOM 0 HE2 MET A 1 -10.475 14.277 5.007 1.00 1.00 H new ATOM 0 HE3 MET A 1 -10.760 12.526 5.139 1.00 1.00 H new ATOM 20 N GLY A 2 -8.287 13.132 1.858 1.00 1.00 N ATOM 21 CA GLY A 2 -9.276 13.045 0.815 1.00 1.00 C ATOM 22 C GLY A 2 -9.483 11.592 0.460 1.00 1.00 C ATOM 23 O GLY A 2 -8.991 10.709 1.165 1.00 1.00 O ATOM 0 H GLY A 2 -8.356 12.377 2.540 1.00 1.00 H new ATOM 0 HA2 GLY A 2 -10.214 13.490 1.147 1.00 1.00 H new ATOM 0 HA3 GLY A 2 -8.950 13.605 -0.062 1.00 1.00 H new ATOM 27 N ARG A 3 -10.165 11.346 -0.660 1.00 1.00 N ATOM 28 CA ARG A 3 -10.535 10.000 -1.083 1.00 1.00 C ATOM 29 C ARG A 3 -9.364 9.030 -1.050 1.00 1.00 C ATOM 30 O ARG A 3 -9.592 7.874 -0.709 1.00 1.00 O ATOM 31 CB ARG A 3 -11.114 9.991 -2.500 1.00 1.00 C ATOM 32 CG ARG A 3 -12.576 10.420 -2.669 1.00 1.00 C ATOM 33 CD ARG A 3 -12.827 11.929 -2.570 1.00 1.00 C ATOM 34 NE ARG A 3 -14.109 12.272 -3.212 1.00 1.00 N ATOM 35 CZ ARG A 3 -14.277 12.911 -4.378 1.00 1.00 C ATOM 36 NH1 ARG A 3 -13.302 13.625 -4.929 1.00 1.00 N ATOM 37 NH2 ARG A 3 -15.438 12.832 -5.018 1.00 1.00 N ATOM 0 H ARG A 3 -10.476 12.078 -1.299 1.00 1.00 H new ATOM 0 HA ARG A 3 -11.289 9.674 -0.366 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -10.498 10.643 -3.119 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.011 8.982 -2.899 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -12.931 10.071 -3.639 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -13.176 9.917 -1.910 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -12.842 12.235 -1.524 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -12.014 12.473 -3.050 1.00 1.00 H new ATOM 0 HE ARG A 3 -14.957 11.994 -2.717 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -12.397 13.697 -4.464 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -13.458 14.101 -5.818 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -16.202 12.285 -4.622 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -15.565 13.319 -5.905 1.00 1.00 H new ATOM 51 N ALA A 4 -8.157 9.465 -1.414 1.00 1.00 N ATOM 52 CA ALA A 4 -7.000 8.583 -1.436 1.00 1.00 C ATOM 53 C ALA A 4 -6.690 8.081 -0.042 1.00 1.00 C ATOM 54 O ALA A 4 -6.599 6.876 0.177 1.00 1.00 O ATOM 55 CB ALA A 4 -5.773 9.284 -2.020 1.00 1.00 C ATOM 0 H ALA A 4 -7.960 10.425 -1.697 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.245 7.736 -2.076 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -4.927 8.596 -2.021 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.986 9.599 -3.041 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.530 10.157 -1.414 1.00 1.00 H new ATOM 61 N ARG A 5 -6.503 9.012 0.893 1.00 1.00 N ATOM 62 CA ARG A 5 -6.232 8.647 2.272 1.00 1.00 C ATOM 63 C ARG A 5 -7.390 7.840 2.814 1.00 1.00 C ATOM 64 O ARG A 5 -7.147 6.803 3.416 1.00 1.00 O ATOM 65 CB ARG A 5 -5.984 9.882 3.137 1.00 1.00 C ATOM 66 CG ARG A 5 -4.718 10.627 2.691 1.00 1.00 C ATOM 67 CD ARG A 5 -3.726 10.867 3.861 1.00 1.00 C ATOM 68 NE ARG A 5 -4.239 11.744 4.936 1.00 1.00 N ATOM 69 CZ ARG A 5 -4.810 11.386 6.101 1.00 1.00 C ATOM 70 NH1 ARG A 5 -4.856 10.123 6.494 1.00 1.00 N ATOM 71 NH2 ARG A 5 -5.355 12.320 6.871 1.00 1.00 N ATOM 0 H ARG A 5 -6.535 10.016 0.717 1.00 1.00 H new ATOM 0 HA ARG A 5 -5.325 8.043 2.301 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.843 10.550 3.076 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.885 9.584 4.181 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -4.220 10.054 1.908 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -4.999 11.586 2.255 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -3.456 9.904 4.294 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -2.811 11.304 3.460 1.00 1.00 H new ATOM 0 HE ARG A 5 -4.149 12.747 4.774 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -4.452 9.392 5.909 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -5.295 9.881 7.382 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -5.338 13.297 6.577 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -5.791 12.061 7.756 1.00 1.00 H new ATOM 85 N ASP A 6 -8.620 8.257 2.526 1.00 1.00 N ATOM 86 CA ASP A 6 -9.811 7.633 3.073 1.00 1.00 C ATOM 87 C ASP A 6 -9.872 6.167 2.657 1.00 1.00 C ATOM 88 O ASP A 6 -10.200 5.315 3.481 1.00 1.00 O ATOM 89 CB ASP A 6 -11.072 8.369 2.589 1.00 1.00 C ATOM 90 CG ASP A 6 -11.216 9.821 3.057 1.00 1.00 C ATOM 91 OD1 ASP A 6 -10.617 10.192 4.091 1.00 1.00 O ATOM 92 OD2 ASP A 6 -11.924 10.575 2.343 1.00 1.00 O ATOM 0 H ASP A 6 -8.814 9.041 1.903 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.767 7.693 4.160 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -11.082 8.355 1.499 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.947 7.811 2.923 1.00 1.00 H new ATOM 97 N ALA A 7 -9.552 5.885 1.390 1.00 1.00 N ATOM 98 CA ALA A 7 -9.645 4.570 0.781 1.00 1.00 C ATOM 99 C ALA A 7 -8.467 3.670 1.135 1.00 1.00 C ATOM 100 O ALA A 7 -8.692 2.491 1.401 1.00 1.00 O ATOM 101 CB ALA A 7 -9.730 4.733 -0.738 1.00 1.00 C ATOM 0 H ALA A 7 -9.210 6.597 0.744 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.540 4.087 1.172 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.800 3.751 -1.206 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.613 5.320 -0.992 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.838 5.244 -1.100 1.00 1.00 H new ATOM 107 N ILE A 8 -7.227 4.181 1.118 1.00 1.00 N ATOM 108 CA ILE A 8 -6.063 3.388 1.523 1.00 1.00 C ATOM 109 C ILE A 8 -6.237 3.050 2.999 1.00 1.00 C ATOM 110 O ILE A 8 -6.065 1.890 3.356 1.00 1.00 O ATOM 111 CB ILE A 8 -4.715 4.097 1.245 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.541 4.444 -0.251 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.514 3.264 1.725 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.567 5.609 -0.442 1.00 1.00 C ATOM 0 H ILE A 8 -7.008 5.134 0.830 1.00 1.00 H new ATOM 0 HA ILE A 8 -6.019 2.479 0.923 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.742 5.025 1.816 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -4.175 3.570 -0.789 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.509 4.702 -0.682 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.590 3.800 1.509 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.594 3.096 2.799 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.506 2.305 1.207 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.466 5.829 -1.505 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.947 6.490 0.076 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.593 5.340 -0.033 1.00 1.00 H new ATOM 126 N LEU A 9 -6.624 4.026 3.832 1.00 1.00 N ATOM 127 CA LEU A 9 -6.859 3.817 5.252 1.00 1.00 C ATOM 128 C LEU A 9 -7.888 2.715 5.425 1.00 1.00 C ATOM 129 O LEU A 9 -7.578 1.707 6.057 1.00 1.00 O ATOM 130 CB LEU A 9 -7.274 5.135 5.924 1.00 1.00 C ATOM 131 CG LEU A 9 -7.415 5.116 7.455 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.745 4.513 7.919 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.227 4.439 8.152 1.00 1.00 C ATOM 0 H LEU A 9 -6.782 4.987 3.529 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.943 3.496 5.747 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.541 5.897 5.659 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.227 5.448 5.499 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.412 6.163 7.759 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -8.790 4.525 9.008 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.571 5.099 7.515 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -8.822 3.485 7.564 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.381 4.455 9.231 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -6.146 3.407 7.812 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.309 4.974 7.909 1.00 1.00 H new ATOM 145 N ASP A 10 -9.077 2.873 4.828 1.00 1.00 N ATOM 146 CA ASP A 10 -10.110 1.840 4.899 1.00 1.00 C ATOM 147 C ASP A 10 -9.587 0.498 4.422 1.00 1.00 C ATOM 148 O ASP A 10 -9.961 -0.518 5.004 1.00 1.00 O ATOM 149 CB ASP A 10 -11.390 2.183 4.116 1.00 1.00 C ATOM 150 CG ASP A 10 -12.353 3.100 4.859 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.409 3.054 6.110 1.00 1.00 O ATOM 152 OD2 ASP A 10 -13.139 3.819 4.198 1.00 1.00 O ATOM 0 H ASP A 10 -9.343 3.701 4.295 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.376 1.786 5.955 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -11.110 2.656 3.174 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.908 1.257 3.866 1.00 1.00 H new ATOM 157 N ALA A 11 -8.732 0.467 3.399 1.00 1.00 N ATOM 158 CA ALA A 11 -8.162 -0.775 2.925 1.00 1.00 C ATOM 159 C ALA A 11 -7.357 -1.451 4.024 1.00 1.00 C ATOM 160 O ALA A 11 -7.626 -2.615 4.303 1.00 1.00 O ATOM 161 CB ALA A 11 -7.346 -0.588 1.641 1.00 1.00 C ATOM 0 H ALA A 11 -8.424 1.294 2.888 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.987 -1.437 2.662 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.939 -1.549 1.325 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -7.989 -0.191 0.856 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.529 0.109 1.828 1.00 1.00 H new ATOM 167 N LEU A 12 -6.403 -0.759 4.658 1.00 1.00 N ATOM 168 CA LEU A 12 -5.555 -1.404 5.664 1.00 1.00 C ATOM 169 C LEU A 12 -6.408 -1.880 6.836 1.00 1.00 C ATOM 170 O LEU A 12 -6.173 -2.960 7.370 1.00 1.00 O ATOM 171 CB LEU A 12 -4.476 -0.514 6.252 1.00 1.00 C ATOM 172 CG LEU A 12 -3.407 0.000 5.287 1.00 1.00 C ATOM 173 CD1 LEU A 12 -3.262 -0.770 3.959 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.637 1.488 5.054 1.00 1.00 C ATOM 0 H LEU A 12 -6.202 0.228 4.496 1.00 1.00 H new ATOM 0 HA LEU A 12 -5.068 -2.219 5.129 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.960 0.347 6.714 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.978 -1.065 7.049 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.448 -0.179 5.773 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -2.475 -0.314 3.358 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -3.005 -1.809 4.167 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -4.204 -0.732 3.412 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.882 1.870 4.367 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.628 1.640 4.625 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.567 2.020 6.003 1.00 1.00 H new ATOM 186 N GLU A 13 -7.384 -1.065 7.244 1.00 1.00 N ATOM 187 CA GLU A 13 -8.305 -1.399 8.321 1.00 1.00 C ATOM 188 C GLU A 13 -9.052 -2.691 7.979 1.00 1.00 C ATOM 189 O GLU A 13 -9.214 -3.563 8.834 1.00 1.00 O ATOM 190 CB GLU A 13 -9.297 -0.254 8.584 1.00 1.00 C ATOM 191 CG GLU A 13 -8.682 1.049 9.116 1.00 1.00 C ATOM 192 CD GLU A 13 -8.009 0.969 10.484 1.00 1.00 C ATOM 193 OE1 GLU A 13 -6.995 0.255 10.635 1.00 1.00 O ATOM 194 OE2 GLU A 13 -8.385 1.749 11.394 1.00 1.00 O ATOM 0 H GLU A 13 -7.554 -0.149 6.830 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.728 -1.549 9.234 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.824 -0.033 7.656 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -10.043 -0.601 9.299 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.946 1.401 8.393 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -9.467 1.803 9.164 1.00 1.00 H new ATOM 201 N ASN A 14 -9.517 -2.823 6.734 1.00 1.00 N ATOM 202 CA ASN A 14 -10.186 -4.004 6.212 1.00 1.00 C ATOM 203 C ASN A 14 -9.233 -5.161 5.905 1.00 1.00 C ATOM 204 O ASN A 14 -9.719 -6.238 5.551 1.00 1.00 O ATOM 205 CB ASN A 14 -10.993 -3.627 4.965 1.00 1.00 C ATOM 206 CG ASN A 14 -12.333 -3.005 5.332 1.00 1.00 C ATOM 207 OD1 ASN A 14 -13.304 -3.719 5.557 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.429 -1.694 5.417 1.00 1.00 N ATOM 0 H ASN A 14 -9.432 -2.079 6.041 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.851 -4.365 6.996 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -10.420 -2.926 4.358 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -11.158 -4.515 4.355 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.318 -1.263 5.672 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.615 -1.110 5.228 1.00 1.00 H new ATOM 215 N LEU A 15 -7.911 -4.986 5.971 1.00 1.00 N ATOM 216 CA LEU A 15 -6.960 -6.068 5.805 1.00 1.00 C ATOM 217 C LEU A 15 -6.799 -6.753 7.162 1.00 1.00 C ATOM 218 O LEU A 15 -7.216 -6.245 8.206 1.00 1.00 O ATOM 219 CB LEU A 15 -5.611 -5.542 5.274 1.00 1.00 C ATOM 220 CG LEU A 15 -5.547 -5.199 3.770 1.00 1.00 C ATOM 221 CD1 LEU A 15 -4.098 -4.952 3.340 1.00 1.00 C ATOM 222 CD2 LEU A 15 -6.153 -6.281 2.879 1.00 1.00 C ATOM 0 H LEU A 15 -7.476 -4.080 6.143 1.00 1.00 H new ATOM 0 HA LEU A 15 -7.323 -6.784 5.068 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -5.348 -4.648 5.839 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.847 -6.290 5.486 1.00 1.00 H new ATOM 0 HG LEU A 15 -6.143 -4.296 3.641 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -4.070 -4.711 2.277 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.686 -4.120 3.911 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.506 -5.848 3.525 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -6.076 -5.978 1.835 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.614 -7.217 3.026 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -7.202 -6.422 3.140 1.00 1.00 H new ATOM 234 N THR A 16 -6.179 -7.926 7.157 1.00 1.00 N ATOM 235 CA THR A 16 -5.931 -8.730 8.344 1.00 1.00 C ATOM 236 C THR A 16 -4.430 -8.928 8.527 1.00 1.00 C ATOM 237 O THR A 16 -3.648 -8.488 7.686 1.00 1.00 O ATOM 238 CB THR A 16 -6.728 -10.041 8.226 1.00 1.00 C ATOM 239 OG1 THR A 16 -6.703 -10.569 6.908 1.00 1.00 O ATOM 240 CG2 THR A 16 -8.186 -9.810 8.617 1.00 1.00 C ATOM 0 H THR A 16 -5.825 -8.355 6.302 1.00 1.00 H new ATOM 0 HA THR A 16 -6.277 -8.228 9.248 1.00 1.00 H new ATOM 0 HB THR A 16 -6.254 -10.755 8.899 1.00 1.00 H new ATOM 0 HG1 THR A 16 -7.219 -11.401 6.879 1.00 1.00 H new ATOM 0 HG21 THR A 16 -8.739 -10.745 8.529 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.235 -9.455 9.646 1.00 1.00 H new ATOM 0 HG23 THR A 16 -8.627 -9.065 7.955 1.00 1.00 H new ATOM 248 N ALA A 17 -4.016 -9.552 9.633 1.00 1.00 N ATOM 249 CA ALA A 17 -2.610 -9.724 9.978 1.00 1.00 C ATOM 250 C ALA A 17 -1.823 -10.364 8.832 1.00 1.00 C ATOM 251 O ALA A 17 -0.758 -9.853 8.475 1.00 1.00 O ATOM 252 CB ALA A 17 -2.478 -10.553 11.260 1.00 1.00 C ATOM 0 H ALA A 17 -4.656 -9.954 10.318 1.00 1.00 H new ATOM 0 HA ALA A 17 -2.183 -8.737 10.153 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.423 -10.675 11.508 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.986 -10.042 12.078 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.930 -11.533 11.108 1.00 1.00 H new ATOM 258 N GLU A 18 -2.333 -11.456 8.256 1.00 1.00 N ATOM 259 CA GLU A 18 -1.663 -12.164 7.168 1.00 1.00 C ATOM 260 C GLU A 18 -1.590 -11.281 5.916 1.00 1.00 C ATOM 261 O GLU A 18 -0.573 -11.263 5.226 1.00 1.00 O ATOM 262 CB GLU A 18 -2.390 -13.492 6.896 1.00 1.00 C ATOM 263 CG GLU A 18 -1.706 -14.397 5.853 1.00 1.00 C ATOM 264 CD GLU A 18 -0.288 -14.855 6.218 1.00 1.00 C ATOM 265 OE1 GLU A 18 0.105 -14.806 7.405 1.00 1.00 O ATOM 266 OE2 GLU A 18 0.474 -15.267 5.309 1.00 1.00 O ATOM 0 H GLU A 18 -3.222 -11.872 8.533 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.637 -12.393 7.456 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.477 -14.042 7.833 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.403 -13.274 6.559 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.327 -15.279 5.697 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -1.666 -13.864 4.903 1.00 1.00 H new ATOM 273 N GLU A 19 -2.629 -10.494 5.640 1.00 1.00 N ATOM 274 CA GLU A 19 -2.631 -9.612 4.481 1.00 1.00 C ATOM 275 C GLU A 19 -1.639 -8.471 4.706 1.00 1.00 C ATOM 276 O GLU A 19 -0.824 -8.197 3.836 1.00 1.00 O ATOM 277 CB GLU A 19 -4.023 -9.039 4.205 1.00 1.00 C ATOM 278 CG GLU A 19 -5.156 -10.058 4.046 1.00 1.00 C ATOM 279 CD GLU A 19 -5.176 -10.798 2.707 1.00 1.00 C ATOM 280 OE1 GLU A 19 -4.205 -11.515 2.374 1.00 1.00 O ATOM 281 OE2 GLU A 19 -6.224 -10.768 2.025 1.00 1.00 O ATOM 0 H GLU A 19 -3.478 -10.451 6.204 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.336 -10.199 3.612 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.283 -8.363 5.020 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.972 -8.439 3.296 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -5.080 -10.792 4.849 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -6.108 -9.543 4.174 1.00 1.00 H new ATOM 288 N LEU A 20 -1.663 -7.795 5.861 1.00 1.00 N ATOM 289 CA LEU A 20 -0.749 -6.688 6.142 1.00 1.00 C ATOM 290 C LEU A 20 0.693 -7.185 6.120 1.00 1.00 C ATOM 291 O LEU A 20 1.558 -6.499 5.586 1.00 1.00 O ATOM 292 CB LEU A 20 -1.109 -5.952 7.452 1.00 1.00 C ATOM 293 CG LEU A 20 -2.381 -5.077 7.357 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.665 -4.355 8.675 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.246 -3.971 6.298 1.00 1.00 C ATOM 0 H LEU A 20 -2.313 -8.000 6.620 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.857 -5.943 5.354 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.246 -6.688 8.244 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.269 -5.322 7.745 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.182 -5.769 7.098 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.566 -3.750 8.572 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.810 -5.089 9.468 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.822 -3.711 8.926 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -3.163 -3.383 6.267 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.408 -3.323 6.553 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -2.072 -4.422 5.321 1.00 1.00 H new ATOM 307 N LYS A 21 0.963 -8.386 6.632 1.00 1.00 N ATOM 308 CA LYS A 21 2.274 -9.032 6.569 1.00 1.00 C ATOM 309 C LYS A 21 2.703 -9.081 5.103 1.00 1.00 C ATOM 310 O LYS A 21 3.767 -8.575 4.734 1.00 1.00 O ATOM 311 CB LYS A 21 2.095 -10.442 7.152 1.00 1.00 C ATOM 312 CG LYS A 21 3.200 -11.480 6.875 1.00 1.00 C ATOM 313 CD LYS A 21 2.597 -12.881 7.050 1.00 1.00 C ATOM 314 CE LYS A 21 3.563 -13.995 6.636 1.00 1.00 C ATOM 315 NZ LYS A 21 2.919 -15.322 6.716 1.00 1.00 N ATOM 0 H LYS A 21 0.261 -8.949 7.112 1.00 1.00 H new ATOM 0 HA LYS A 21 3.041 -8.499 7.131 1.00 1.00 H new ATOM 0 HB2 LYS A 21 1.989 -10.347 8.233 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.155 -10.844 6.773 1.00 1.00 H new ATOM 0 HG2 LYS A 21 3.591 -11.358 5.865 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.036 -11.338 7.560 1.00 1.00 H new ATOM 0 HD2 LYS A 21 2.312 -13.022 8.092 1.00 1.00 H new ATOM 0 HD3 LYS A 21 1.686 -12.957 6.457 1.00 1.00 H new ATOM 0 HE2 LYS A 21 3.911 -13.818 5.618 1.00 1.00 H new ATOM 0 HE3 LYS A 21 4.442 -13.975 7.281 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 3.625 -16.062 6.529 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 2.519 -15.457 7.667 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 2.158 -15.382 6.009 1.00 1.00 H new ATOM 329 N LYS A 22 1.881 -9.722 4.270 1.00 1.00 N ATOM 330 CA LYS A 22 2.169 -9.928 2.861 1.00 1.00 C ATOM 331 C LYS A 22 2.321 -8.583 2.159 1.00 1.00 C ATOM 332 O LYS A 22 3.296 -8.425 1.434 1.00 1.00 O ATOM 333 CB LYS A 22 1.073 -10.806 2.242 1.00 1.00 C ATOM 334 CG LYS A 22 1.078 -12.246 2.775 1.00 1.00 C ATOM 335 CD LYS A 22 2.118 -13.168 2.131 1.00 1.00 C ATOM 336 CE LYS A 22 1.758 -14.573 2.615 1.00 1.00 C ATOM 337 NZ LYS A 22 2.511 -15.642 1.940 1.00 1.00 N ATOM 0 H LYS A 22 0.987 -10.115 4.565 1.00 1.00 H new ATOM 0 HA LYS A 22 3.116 -10.454 2.737 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.100 -10.356 2.440 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.200 -10.826 1.160 1.00 1.00 H new ATOM 0 HG2 LYS A 22 1.254 -12.219 3.850 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.088 -12.677 2.624 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.082 -13.104 1.043 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.129 -12.894 2.433 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.939 -14.635 3.688 1.00 1.00 H new ATOM 0 HE3 LYS A 22 0.692 -14.739 2.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 2.216 -16.565 2.317 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.321 -15.609 0.918 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 3.529 -15.509 2.107 1.00 1.00 H new ATOM 351 N PHE A 23 1.457 -7.597 2.409 1.00 1.00 N ATOM 352 CA PHE A 23 1.542 -6.255 1.842 1.00 1.00 C ATOM 353 C PHE A 23 2.905 -5.665 2.141 1.00 1.00 C ATOM 354 O PHE A 23 3.633 -5.286 1.229 1.00 1.00 O ATOM 355 CB PHE A 23 0.428 -5.356 2.411 1.00 1.00 C ATOM 356 CG PHE A 23 0.344 -3.938 1.852 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.430 -3.684 0.465 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.129 -2.859 2.734 1.00 1.00 C ATOM 359 CE1 PHE A 23 0.292 -2.373 -0.030 1.00 1.00 C ATOM 360 CE2 PHE A 23 -0.021 -1.554 2.233 1.00 1.00 C ATOM 361 CZ PHE A 23 0.074 -1.307 0.855 1.00 1.00 C ATOM 0 H PHE A 23 0.657 -7.717 3.030 1.00 1.00 H new ATOM 0 HA PHE A 23 1.408 -6.315 0.762 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.529 -5.848 2.238 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.562 -5.290 3.491 1.00 1.00 H new ATOM 0 HD1 PHE A 23 0.603 -4.501 -0.220 1.00 1.00 H new ATOM 0 HD2 PHE A 23 0.079 -3.036 3.798 1.00 1.00 H new ATOM 0 HE1 PHE A 23 0.354 -2.188 -1.092 1.00 1.00 H new ATOM 0 HE2 PHE A 23 -0.211 -0.737 2.913 1.00 1.00 H new ATOM 0 HZ PHE A 23 -0.020 -0.300 0.477 1.00 1.00 H new ATOM 371 N LYS A 24 3.273 -5.612 3.416 1.00 1.00 N ATOM 372 CA LYS A 24 4.517 -5.026 3.876 1.00 1.00 C ATOM 373 C LYS A 24 5.737 -5.753 3.302 1.00 1.00 C ATOM 374 O LYS A 24 6.780 -5.121 3.137 1.00 1.00 O ATOM 375 CB LYS A 24 4.472 -4.974 5.401 1.00 1.00 C ATOM 376 CG LYS A 24 3.363 -4.025 5.908 1.00 1.00 C ATOM 377 CD LYS A 24 3.258 -4.118 7.430 1.00 1.00 C ATOM 378 CE LYS A 24 2.203 -3.158 7.983 1.00 1.00 C ATOM 379 NZ LYS A 24 2.295 -3.071 9.451 1.00 1.00 N ATOM 0 H LYS A 24 2.699 -5.985 4.172 1.00 1.00 H new ATOM 0 HA LYS A 24 4.627 -4.007 3.506 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.301 -5.976 5.794 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.438 -4.642 5.782 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.585 -3.000 5.612 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.409 -4.289 5.452 1.00 1.00 H new ATOM 0 HD2 LYS A 24 3.006 -5.139 7.716 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.226 -3.891 7.876 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.340 -2.169 7.546 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.208 -3.499 7.696 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.341 -2.973 9.853 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 2.741 -3.934 9.823 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.868 -2.244 9.715 1.00 1.00 H new ATOM 393 N LEU A 25 5.634 -7.048 2.992 1.00 1.00 N ATOM 394 CA LEU A 25 6.700 -7.796 2.332 1.00 1.00 C ATOM 395 C LEU A 25 6.722 -7.451 0.843 1.00 1.00 C ATOM 396 O LEU A 25 7.792 -7.120 0.339 1.00 1.00 O ATOM 397 CB LEU A 25 6.508 -9.313 2.518 1.00 1.00 C ATOM 398 CG LEU A 25 6.840 -9.814 3.934 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.224 -11.200 4.159 1.00 1.00 C ATOM 400 CD2 LEU A 25 8.355 -9.901 4.155 1.00 1.00 C ATOM 0 H LEU A 25 4.805 -7.607 3.194 1.00 1.00 H new ATOM 0 HA LEU A 25 7.651 -7.517 2.786 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.475 -9.570 2.285 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.137 -9.840 1.800 1.00 1.00 H new ATOM 0 HG LEU A 25 6.423 -9.099 4.643 1.00 1.00 H new ATOM 0 HD11 LEU A 25 6.465 -11.546 5.164 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.142 -11.140 4.045 1.00 1.00 H new ATOM 0 HD13 LEU A 25 6.627 -11.901 3.428 1.00 1.00 H new ATOM 0 HD21 LEU A 25 8.555 -10.258 5.165 1.00 1.00 H new ATOM 0 HD22 LEU A 25 8.789 -10.593 3.433 1.00 1.00 H new ATOM 0 HD23 LEU A 25 8.799 -8.914 4.024 1.00 1.00 H new ATOM 412 N LYS A 26 5.589 -7.498 0.125 1.00 1.00 N ATOM 413 CA LYS A 26 5.513 -7.140 -1.298 1.00 1.00 C ATOM 414 C LYS A 26 6.008 -5.710 -1.520 1.00 1.00 C ATOM 415 O LYS A 26 6.747 -5.452 -2.471 1.00 1.00 O ATOM 416 CB LYS A 26 4.098 -7.321 -1.878 1.00 1.00 C ATOM 417 CG LYS A 26 3.548 -8.758 -1.915 1.00 1.00 C ATOM 418 CD LYS A 26 4.483 -9.830 -2.488 1.00 1.00 C ATOM 419 CE LYS A 26 3.710 -11.149 -2.603 1.00 1.00 C ATOM 420 NZ LYS A 26 4.559 -12.245 -3.098 1.00 1.00 N ATOM 0 H LYS A 26 4.694 -7.788 0.519 1.00 1.00 H new ATOM 0 HA LYS A 26 6.166 -7.829 -1.834 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.410 -6.708 -1.296 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.093 -6.928 -2.895 1.00 1.00 H new ATOM 0 HG2 LYS A 26 3.278 -9.047 -0.899 1.00 1.00 H new ATOM 0 HG3 LYS A 26 2.629 -8.757 -2.501 1.00 1.00 H new ATOM 0 HD2 LYS A 26 4.854 -9.524 -3.466 1.00 1.00 H new ATOM 0 HD3 LYS A 26 5.352 -9.957 -1.843 1.00 1.00 H new ATOM 0 HE2 LYS A 26 3.304 -11.417 -1.628 1.00 1.00 H new ATOM 0 HE3 LYS A 26 2.863 -11.015 -3.275 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 3.997 -13.118 -3.161 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 4.926 -12.001 -4.040 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 5.354 -12.391 -2.444 1.00 1.00 H new ATOM 434 N LEU A 27 5.689 -4.807 -0.589 1.00 1.00 N ATOM 435 CA LEU A 27 6.139 -3.420 -0.546 1.00 1.00 C ATOM 436 C LEU A 27 7.663 -3.306 -0.498 1.00 1.00 C ATOM 437 O LEU A 27 8.166 -2.197 -0.662 1.00 1.00 O ATOM 438 CB LEU A 27 5.545 -2.688 0.677 1.00 1.00 C ATOM 439 CG LEU A 27 4.102 -2.173 0.547 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.564 -1.691 1.896 1.00 1.00 C ATOM 441 CD2 LEU A 27 4.039 -0.974 -0.398 1.00 1.00 C ATOM 0 H LEU A 27 5.078 -5.039 0.194 1.00 1.00 H new ATOM 0 HA LEU A 27 5.787 -2.954 -1.466 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.588 -3.364 1.531 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.188 -1.839 0.910 1.00 1.00 H new ATOM 0 HG LEU A 27 3.508 -3.005 0.169 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.542 -1.333 1.773 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.576 -2.516 2.608 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.190 -0.881 2.269 1.00 1.00 H new ATOM 0 HD21 LEU A 27 3.009 -0.626 -0.476 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.665 -0.171 -0.009 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.397 -1.269 -1.384 1.00 1.00 H new ATOM 453 N LEU A 28 8.406 -4.390 -0.267 1.00 1.00 N ATOM 454 CA LEU A 28 9.861 -4.420 -0.308 1.00 1.00 C ATOM 455 C LEU A 28 10.263 -5.764 -0.958 1.00 1.00 C ATOM 456 O LEU A 28 11.162 -6.463 -0.482 1.00 1.00 O ATOM 457 CB LEU A 28 10.407 -4.237 1.124 1.00 1.00 C ATOM 458 CG LEU A 28 11.870 -3.724 1.222 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.678 -4.394 2.334 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.727 -3.670 -0.048 1.00 1.00 C ATOM 0 H LEU A 28 7.995 -5.296 -0.040 1.00 1.00 H new ATOM 0 HA LEU A 28 10.288 -3.611 -0.901 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.759 -3.539 1.654 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.340 -5.192 1.644 1.00 1.00 H new ATOM 0 HG LEU A 28 11.663 -2.680 1.456 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.689 -3.988 2.344 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.201 -4.204 3.295 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.721 -5.469 2.156 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.718 -3.289 0.198 1.00 1.00 H new ATOM 0 HD22 LEU A 28 12.817 -4.671 -0.469 1.00 1.00 H new ATOM 0 HD23 LEU A 28 12.256 -3.011 -0.777 1.00 1.00 H new ATOM 472 N SER A 29 9.545 -6.188 -2.008 1.00 1.00 N ATOM 473 CA SER A 29 9.804 -7.419 -2.753 1.00 1.00 C ATOM 474 C SER A 29 10.233 -7.120 -4.186 1.00 1.00 C ATOM 475 O SER A 29 10.968 -7.918 -4.774 1.00 1.00 O ATOM 476 CB SER A 29 8.553 -8.308 -2.726 1.00 1.00 C ATOM 477 OG SER A 29 8.816 -9.622 -3.179 1.00 1.00 O ATOM 0 H SER A 29 8.746 -5.666 -2.369 1.00 1.00 H new ATOM 0 HA SER A 29 10.627 -7.950 -2.276 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.161 -8.348 -1.710 1.00 1.00 H new ATOM 0 HB3 SER A 29 7.779 -7.860 -3.349 1.00 1.00 H new ATOM 0 HG SER A 29 7.992 -10.152 -3.143 1.00 1.00 H new ATOM 483 N VAL A 30 9.806 -5.996 -4.754 1.00 1.00 N ATOM 484 CA VAL A 30 10.155 -5.557 -6.093 1.00 1.00 C ATOM 485 C VAL A 30 10.677 -4.125 -5.968 1.00 1.00 C ATOM 486 O VAL A 30 10.064 -3.330 -5.242 1.00 1.00 O ATOM 487 CB VAL A 30 8.927 -5.731 -7.007 1.00 1.00 C ATOM 488 CG1 VAL A 30 7.666 -4.961 -6.573 1.00 1.00 C ATOM 489 CG2 VAL A 30 9.259 -5.405 -8.461 1.00 1.00 C ATOM 0 H VAL A 30 9.185 -5.345 -4.273 1.00 1.00 H new ATOM 0 HA VAL A 30 10.944 -6.148 -6.559 1.00 1.00 H new ATOM 0 HB VAL A 30 8.677 -6.787 -6.908 1.00 1.00 H new ATOM 0 HG11 VAL A 30 6.861 -5.152 -7.283 1.00 1.00 H new ATOM 0 HG12 VAL A 30 7.361 -5.293 -5.581 1.00 1.00 H new ATOM 0 HG13 VAL A 30 7.882 -3.893 -6.548 1.00 1.00 H new ATOM 0 HG21 VAL A 30 8.369 -5.539 -9.076 1.00 1.00 H new ATOM 0 HG22 VAL A 30 9.598 -4.372 -8.534 1.00 1.00 H new ATOM 0 HG23 VAL A 30 10.047 -6.071 -8.813 1.00 1.00 H new ATOM 499 N PRO A 31 11.832 -3.780 -6.562 1.00 1.00 N ATOM 500 CA PRO A 31 12.322 -2.416 -6.515 1.00 1.00 C ATOM 501 C PRO A 31 11.295 -1.519 -7.212 1.00 1.00 C ATOM 502 O PRO A 31 10.705 -1.883 -8.234 1.00 1.00 O ATOM 503 CB PRO A 31 13.689 -2.435 -7.200 1.00 1.00 C ATOM 504 CG PRO A 31 13.602 -3.634 -8.143 1.00 1.00 C ATOM 505 CD PRO A 31 12.706 -4.607 -7.377 1.00 1.00 C ATOM 0 HA PRO A 31 12.445 -2.020 -5.507 1.00 1.00 H new ATOM 0 HB2 PRO A 31 13.877 -1.510 -7.744 1.00 1.00 H new ATOM 0 HB3 PRO A 31 14.498 -2.551 -6.478 1.00 1.00 H new ATOM 0 HG2 PRO A 31 13.171 -3.360 -9.106 1.00 1.00 H new ATOM 0 HG3 PRO A 31 14.584 -4.062 -8.344 1.00 1.00 H new ATOM 0 HD2 PRO A 31 12.130 -5.230 -8.061 1.00 1.00 H new ATOM 0 HD3 PRO A 31 13.299 -5.279 -6.757 1.00 1.00 H new ATOM 513 N LEU A 32 11.033 -0.364 -6.606 1.00 1.00 N ATOM 514 CA LEU A 32 10.113 0.627 -7.143 1.00 1.00 C ATOM 515 C LEU A 32 10.874 1.497 -8.149 1.00 1.00 C ATOM 516 O LEU A 32 12.100 1.395 -8.257 1.00 1.00 O ATOM 517 CB LEU A 32 9.529 1.426 -5.965 1.00 1.00 C ATOM 518 CG LEU A 32 8.235 2.211 -6.267 1.00 1.00 C ATOM 519 CD1 LEU A 32 7.062 1.297 -6.649 1.00 1.00 C ATOM 520 CD2 LEU A 32 7.865 2.990 -5.008 1.00 1.00 C ATOM 0 H LEU A 32 11.459 -0.090 -5.721 1.00 1.00 H new ATOM 0 HA LEU A 32 9.277 0.174 -7.676 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.331 0.736 -5.144 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.286 2.129 -5.615 1.00 1.00 H new ATOM 0 HG LEU A 32 8.420 2.866 -7.119 1.00 1.00 H new ATOM 0 HD11 LEU A 32 6.179 1.903 -6.850 1.00 1.00 H new ATOM 0 HD12 LEU A 32 7.321 0.726 -7.541 1.00 1.00 H new ATOM 0 HD13 LEU A 32 6.852 0.612 -5.828 1.00 1.00 H new ATOM 0 HD21 LEU A 32 6.952 3.558 -5.187 1.00 1.00 H new ATOM 0 HD22 LEU A 32 7.704 2.295 -4.184 1.00 1.00 H new ATOM 0 HD23 LEU A 32 8.674 3.674 -4.753 1.00 1.00 H new ATOM 532 N ARG A 33 10.171 2.395 -8.837 1.00 1.00 N ATOM 533 CA ARG A 33 10.777 3.236 -9.858 1.00 1.00 C ATOM 534 C ARG A 33 11.641 4.308 -9.201 1.00 1.00 C ATOM 535 O ARG A 33 11.500 4.619 -8.014 1.00 1.00 O ATOM 536 CB ARG A 33 9.676 3.906 -10.697 1.00 1.00 C ATOM 537 CG ARG A 33 8.991 2.937 -11.669 1.00 1.00 C ATOM 538 CD ARG A 33 7.836 3.614 -12.416 1.00 1.00 C ATOM 539 NE ARG A 33 8.284 4.675 -13.340 1.00 1.00 N ATOM 540 CZ ARG A 33 8.132 4.693 -14.669 1.00 1.00 C ATOM 541 NH1 ARG A 33 7.727 3.619 -15.338 1.00 1.00 N ATOM 542 NH2 ARG A 33 8.360 5.812 -15.343 1.00 1.00 N ATOM 0 H ARG A 33 9.173 2.557 -8.701 1.00 1.00 H new ATOM 0 HA ARG A 33 11.401 2.619 -10.505 1.00 1.00 H new ATOM 0 HB2 ARG A 33 8.927 4.333 -10.030 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.109 4.733 -11.261 1.00 1.00 H new ATOM 0 HG2 ARG A 33 9.721 2.564 -12.387 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.614 2.074 -11.119 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.284 2.861 -12.978 1.00 1.00 H new ATOM 0 HD3 ARG A 33 7.143 4.041 -11.691 1.00 1.00 H new ATOM 0 HE ARG A 33 8.758 5.476 -12.922 1.00 1.00 H new ATOM 0 HH11 ARG A 33 7.524 2.753 -14.838 1.00 1.00 H new ATOM 0 HH12 ARG A 33 7.619 3.660 -16.351 1.00 1.00 H new ATOM 0 HH21 ARG A 33 8.650 6.655 -14.848 1.00 1.00 H new ATOM 0 HH22 ARG A 33 8.245 5.829 -16.356 1.00 1.00 H new ATOM 556 N GLU A 34 12.519 4.892 -10.003 1.00 1.00 N ATOM 557 CA GLU A 34 13.383 5.991 -9.626 1.00 1.00 C ATOM 558 C GLU A 34 12.552 7.264 -9.789 1.00 1.00 C ATOM 559 O GLU A 34 11.703 7.364 -10.678 1.00 1.00 O ATOM 560 CB GLU A 34 14.611 5.956 -10.540 1.00 1.00 C ATOM 561 CG GLU A 34 15.693 6.974 -10.171 1.00 1.00 C ATOM 562 CD GLU A 34 16.788 7.044 -11.234 1.00 1.00 C ATOM 563 OE1 GLU A 34 17.315 5.993 -11.667 1.00 1.00 O ATOM 564 OE2 GLU A 34 17.139 8.169 -11.659 1.00 1.00 O ATOM 0 H GLU A 34 12.651 4.599 -10.971 1.00 1.00 H new ATOM 0 HA GLU A 34 13.743 5.937 -8.599 1.00 1.00 H new ATOM 0 HB2 GLU A 34 15.043 4.956 -10.512 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.292 6.137 -11.567 1.00 1.00 H new ATOM 0 HG2 GLU A 34 15.241 7.958 -10.049 1.00 1.00 H new ATOM 0 HG3 GLU A 34 16.134 6.705 -9.211 1.00 1.00 H new ATOM 571 N GLY A 35 12.820 8.254 -8.948 1.00 1.00 N ATOM 572 CA GLY A 35 12.059 9.498 -8.867 1.00 1.00 C ATOM 573 C GLY A 35 11.016 9.413 -7.742 1.00 1.00 C ATOM 574 O GLY A 35 10.273 10.366 -7.505 1.00 1.00 O ATOM 0 H GLY A 35 13.594 8.215 -8.284 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.734 10.334 -8.684 1.00 1.00 H new ATOM 0 HA3 GLY A 35 11.563 9.691 -9.818 1.00 1.00 H new ATOM 578 N TYR A 36 10.976 8.276 -7.040 1.00 1.00 N ATOM 579 CA TYR A 36 10.109 7.941 -5.930 1.00 1.00 C ATOM 580 C TYR A 36 10.966 7.235 -4.872 1.00 1.00 C ATOM 581 O TYR A 36 12.046 6.727 -5.184 1.00 1.00 O ATOM 582 CB TYR A 36 8.985 7.044 -6.465 1.00 1.00 C ATOM 583 CG TYR A 36 8.022 7.739 -7.408 1.00 1.00 C ATOM 584 CD1 TYR A 36 7.256 8.835 -6.961 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.892 7.293 -8.735 1.00 1.00 C ATOM 586 CE1 TYR A 36 6.361 9.476 -7.833 1.00 1.00 C ATOM 587 CE2 TYR A 36 6.993 7.925 -9.610 1.00 1.00 C ATOM 588 CZ TYR A 36 6.219 9.020 -9.159 1.00 1.00 C ATOM 589 OH TYR A 36 5.362 9.658 -10.003 1.00 1.00 O ATOM 0 H TYR A 36 11.608 7.507 -7.261 1.00 1.00 H new ATOM 0 HA TYR A 36 9.651 8.817 -5.472 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.430 6.194 -6.982 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.423 6.645 -5.621 1.00 1.00 H new ATOM 0 HD1 TYR A 36 7.358 9.183 -5.944 1.00 1.00 H new ATOM 0 HD2 TYR A 36 8.486 6.461 -9.083 1.00 1.00 H new ATOM 0 HE1 TYR A 36 5.781 10.319 -7.487 1.00 1.00 H new ATOM 0 HE2 TYR A 36 6.893 7.575 -10.627 1.00 1.00 H new ATOM 0 HH TYR A 36 5.381 9.221 -10.880 1.00 1.00 H new ATOM 599 N GLY A 37 10.512 7.192 -3.618 1.00 1.00 N ATOM 600 CA GLY A 37 11.272 6.637 -2.501 1.00 1.00 C ATOM 601 C GLY A 37 11.052 5.132 -2.297 1.00 1.00 C ATOM 602 O GLY A 37 10.220 4.504 -2.953 1.00 1.00 O ATOM 0 H GLY A 37 9.594 7.547 -3.348 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.333 6.822 -2.667 1.00 1.00 H new ATOM 0 HA3 GLY A 37 10.996 7.163 -1.587 1.00 1.00 H new ATOM 606 N ARG A 38 11.756 4.538 -1.332 1.00 1.00 N ATOM 607 CA ARG A 38 11.612 3.144 -0.904 1.00 1.00 C ATOM 608 C ARG A 38 11.306 3.082 0.590 1.00 1.00 C ATOM 609 O ARG A 38 12.153 3.504 1.375 1.00 1.00 O ATOM 610 CB ARG A 38 12.878 2.333 -1.250 1.00 1.00 C ATOM 611 CG ARG A 38 12.981 1.824 -2.697 1.00 1.00 C ATOM 612 CD ARG A 38 12.328 0.437 -2.845 1.00 1.00 C ATOM 613 NE ARG A 38 10.868 0.495 -2.698 1.00 1.00 N ATOM 614 CZ ARG A 38 10.168 0.089 -1.634 1.00 1.00 C ATOM 615 NH1 ARG A 38 10.752 -0.389 -0.536 1.00 1.00 N ATOM 616 NH2 ARG A 38 8.849 0.217 -1.658 1.00 1.00 N ATOM 0 H ARG A 38 12.473 5.036 -0.804 1.00 1.00 H new ATOM 0 HA ARG A 38 10.776 2.696 -1.442 1.00 1.00 H new ATOM 0 HB2 ARG A 38 13.750 2.953 -1.042 1.00 1.00 H new ATOM 0 HB3 ARG A 38 12.929 1.475 -0.580 1.00 1.00 H new ATOM 0 HG2 ARG A 38 12.496 2.531 -3.370 1.00 1.00 H new ATOM 0 HG3 ARG A 38 14.029 1.770 -2.993 1.00 1.00 H new ATOM 0 HD2 ARG A 38 12.577 0.022 -3.822 1.00 1.00 H new ATOM 0 HD3 ARG A 38 12.741 -0.239 -2.096 1.00 1.00 H new ATOM 0 HE ARG A 38 10.339 0.881 -3.480 1.00 1.00 H new ATOM 0 HH11 ARG A 38 11.769 -0.455 -0.487 1.00 1.00 H new ATOM 0 HH12 ARG A 38 10.182 -0.689 0.255 1.00 1.00 H new ATOM 0 HH21 ARG A 38 8.390 0.618 -2.476 1.00 1.00 H new ATOM 0 HH22 ARG A 38 8.293 -0.085 -0.858 1.00 1.00 H new ATOM 630 N ILE A 39 10.103 2.632 0.973 1.00 1.00 N ATOM 631 CA ILE A 39 9.727 2.417 2.372 1.00 1.00 C ATOM 632 C ILE A 39 10.105 0.956 2.667 1.00 1.00 C ATOM 633 O ILE A 39 9.594 0.069 1.971 1.00 1.00 O ATOM 634 CB ILE A 39 8.216 2.641 2.655 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.620 3.904 1.999 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.030 2.729 4.185 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.088 3.972 2.054 1.00 1.00 C ATOM 0 H ILE A 39 9.359 2.406 0.313 1.00 1.00 H new ATOM 0 HA ILE A 39 10.241 3.138 3.008 1.00 1.00 H new ATOM 0 HB ILE A 39 7.680 1.800 2.214 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.030 4.785 2.492 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.938 3.944 0.957 1.00 1.00 H new ATOM 0 HG21 ILE A 39 6.976 2.887 4.415 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.367 1.801 4.647 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.615 3.562 4.575 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.747 4.888 1.573 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.667 3.111 1.535 1.00 1.00 H new ATOM 0 HD13 ILE A 39 5.761 3.965 3.094 1.00 1.00 H new ATOM 649 N PRO A 40 11.010 0.672 3.612 1.00 1.00 N ATOM 650 CA PRO A 40 11.476 -0.683 3.858 1.00 1.00 C ATOM 651 C PRO A 40 10.545 -1.457 4.802 1.00 1.00 C ATOM 652 O PRO A 40 9.776 -0.886 5.574 1.00 1.00 O ATOM 653 CB PRO A 40 12.872 -0.500 4.439 1.00 1.00 C ATOM 654 CG PRO A 40 12.685 0.750 5.282 1.00 1.00 C ATOM 655 CD PRO A 40 11.778 1.614 4.405 1.00 1.00 C ATOM 0 HA PRO A 40 11.487 -1.285 2.949 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.183 -1.356 5.038 1.00 1.00 H new ATOM 0 HB3 PRO A 40 13.625 -0.363 3.663 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.223 0.525 6.243 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.634 1.243 5.492 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.126 2.243 5.011 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.362 2.280 3.770 1.00 1.00 H new ATOM 663 N ARG A 41 10.668 -2.784 4.788 1.00 1.00 N ATOM 664 CA ARG A 41 9.816 -3.719 5.520 1.00 1.00 C ATOM 665 C ARG A 41 9.831 -3.509 7.030 1.00 1.00 C ATOM 666 O ARG A 41 8.770 -3.526 7.642 1.00 1.00 O ATOM 667 CB ARG A 41 10.222 -5.147 5.133 1.00 1.00 C ATOM 668 CG ARG A 41 9.282 -6.245 5.648 1.00 1.00 C ATOM 669 CD ARG A 41 10.001 -7.343 6.448 1.00 1.00 C ATOM 670 NE ARG A 41 10.364 -6.943 7.826 1.00 1.00 N ATOM 671 CZ ARG A 41 11.566 -6.597 8.314 1.00 1.00 C ATOM 672 NH1 ARG A 41 12.637 -6.452 7.539 1.00 1.00 N ATOM 673 NH2 ARG A 41 11.680 -6.377 9.615 1.00 1.00 N ATOM 0 H ARG A 41 11.392 -3.255 4.245 1.00 1.00 H new ATOM 0 HA ARG A 41 8.781 -3.534 5.233 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.274 -5.213 4.046 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.225 -5.340 5.512 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.516 -5.791 6.277 1.00 1.00 H new ATOM 0 HG3 ARG A 41 8.770 -6.701 4.801 1.00 1.00 H new ATOM 0 HD2 ARG A 41 9.361 -8.224 6.493 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.906 -7.634 5.915 1.00 1.00 H new ATOM 0 HE ARG A 41 9.596 -6.928 8.497 1.00 1.00 H new ATOM 0 HH11 ARG A 41 12.563 -6.605 6.533 1.00 1.00 H new ATOM 0 HH12 ARG A 41 13.532 -6.188 7.950 1.00 1.00 H new ATOM 0 HH21 ARG A 41 10.865 -6.472 10.222 1.00 1.00 H new ATOM 0 HH22 ARG A 41 12.582 -6.113 10.010 1.00 1.00 H new ATOM 687 N GLY A 42 10.994 -3.322 7.650 1.00 1.00 N ATOM 688 CA GLY A 42 11.066 -3.118 9.095 1.00 1.00 C ATOM 689 C GLY A 42 10.285 -1.875 9.509 1.00 1.00 C ATOM 690 O GLY A 42 9.498 -1.925 10.463 1.00 1.00 O ATOM 0 H GLY A 42 11.897 -3.307 7.176 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.666 -3.992 9.610 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.107 -3.017 9.401 1.00 1.00 H new ATOM 694 N ALA A 43 10.453 -0.785 8.751 1.00 1.00 N ATOM 695 CA ALA A 43 9.705 0.442 8.972 1.00 1.00 C ATOM 696 C ALA A 43 8.219 0.131 8.837 1.00 1.00 C ATOM 697 O ALA A 43 7.451 0.404 9.755 1.00 1.00 O ATOM 698 CB ALA A 43 10.137 1.540 7.994 1.00 1.00 C ATOM 0 H ALA A 43 11.110 -0.736 7.972 1.00 1.00 H new ATOM 0 HA ALA A 43 9.909 0.820 9.974 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.560 2.445 8.185 1.00 1.00 H new ATOM 0 HB2 ALA A 43 11.198 1.751 8.130 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.961 1.206 6.971 1.00 1.00 H new ATOM 704 N LEU A 44 7.829 -0.511 7.737 1.00 1.00 N ATOM 705 CA LEU A 44 6.445 -0.843 7.445 1.00 1.00 C ATOM 706 C LEU A 44 5.775 -1.660 8.543 1.00 1.00 C ATOM 707 O LEU A 44 4.613 -1.405 8.836 1.00 1.00 O ATOM 708 CB LEU A 44 6.354 -1.590 6.113 1.00 1.00 C ATOM 709 CG LEU A 44 6.572 -0.711 4.877 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.775 -1.617 3.667 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.382 0.224 4.634 1.00 1.00 C ATOM 0 H LEU A 44 8.481 -0.818 7.015 1.00 1.00 H new ATOM 0 HA LEU A 44 5.906 0.103 7.385 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.093 -2.391 6.109 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.373 -2.060 6.041 1.00 1.00 H new ATOM 0 HG LEU A 44 7.451 -0.087 5.040 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.932 -1.007 2.778 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.646 -2.252 3.830 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.892 -2.241 3.528 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.572 0.832 3.750 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.480 -0.368 4.481 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.247 0.874 5.499 1.00 1.00 H new ATOM 723 N LEU A 45 6.458 -2.643 9.136 1.00 1.00 N ATOM 724 CA LEU A 45 5.886 -3.399 10.254 1.00 1.00 C ATOM 725 C LEU A 45 5.846 -2.575 11.533 1.00 1.00 C ATOM 726 O LEU A 45 4.939 -2.797 12.335 1.00 1.00 O ATOM 727 CB LEU A 45 6.538 -4.772 10.494 1.00 1.00 C ATOM 728 CG LEU A 45 6.009 -5.875 9.554 1.00 1.00 C ATOM 729 CD1 LEU A 45 6.686 -5.847 8.190 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.212 -7.276 10.144 1.00 1.00 C ATOM 0 H LEU A 45 7.398 -2.932 8.865 1.00 1.00 H new ATOM 0 HA LEU A 45 4.861 -3.613 9.950 1.00 1.00 H new ATOM 0 HB2 LEU A 45 7.616 -4.681 10.365 1.00 1.00 H new ATOM 0 HB3 LEU A 45 6.365 -5.072 11.527 1.00 1.00 H new ATOM 0 HG LEU A 45 4.945 -5.667 9.440 1.00 1.00 H new ATOM 0 HD11 LEU A 45 6.279 -6.642 7.565 1.00 1.00 H new ATOM 0 HD12 LEU A 45 6.505 -4.883 7.714 1.00 1.00 H new ATOM 0 HD13 LEU A 45 7.759 -5.995 8.313 1.00 1.00 H new ATOM 0 HD21 LEU A 45 5.826 -8.023 9.450 1.00 1.00 H new ATOM 0 HD22 LEU A 45 7.275 -7.450 10.310 1.00 1.00 H new ATOM 0 HD23 LEU A 45 5.680 -7.352 11.092 1.00 1.00 H new ATOM 742 N SER A 46 6.788 -1.653 11.767 1.00 1.00 N ATOM 743 CA SER A 46 6.694 -0.783 12.924 1.00 1.00 C ATOM 744 C SER A 46 5.468 0.132 12.785 1.00 1.00 C ATOM 745 O SER A 46 4.778 0.415 13.763 1.00 1.00 O ATOM 746 CB SER A 46 8.021 -0.038 13.091 1.00 1.00 C ATOM 747 OG SER A 46 8.235 1.020 12.173 1.00 1.00 O ATOM 0 H SER A 46 7.606 -1.499 11.177 1.00 1.00 H new ATOM 0 HA SER A 46 6.537 -1.351 13.841 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.069 0.364 14.103 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.837 -0.754 12.993 1.00 1.00 H new ATOM 0 HG SER A 46 7.900 0.759 11.290 1.00 1.00 H new ATOM 753 N MET A 47 5.188 0.564 11.555 1.00 1.00 N ATOM 754 CA MET A 47 4.032 1.345 11.167 1.00 1.00 C ATOM 755 C MET A 47 2.791 0.440 11.174 1.00 1.00 C ATOM 756 O MET A 47 2.878 -0.791 11.168 1.00 1.00 O ATOM 757 CB MET A 47 4.277 1.907 9.755 1.00 1.00 C ATOM 758 CG MET A 47 5.454 2.894 9.654 1.00 1.00 C ATOM 759 SD MET A 47 6.208 3.026 8.002 1.00 1.00 S ATOM 760 CE MET A 47 4.737 3.256 6.976 1.00 1.00 C ATOM 0 H MET A 47 5.801 0.363 10.765 1.00 1.00 H new ATOM 0 HA MET A 47 3.871 2.169 11.863 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.457 1.076 9.073 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.370 2.407 9.415 1.00 1.00 H new ATOM 0 HG2 MET A 47 5.108 3.882 9.959 1.00 1.00 H new ATOM 0 HG3 MET A 47 6.223 2.593 10.365 1.00 1.00 H new ATOM 0 HE1 MET A 47 5.035 3.371 5.934 1.00 1.00 H new ATOM 0 HE2 MET A 47 4.086 2.387 7.074 1.00 1.00 H new ATOM 0 HE3 MET A 47 4.202 4.149 7.301 1.00 1.00 H new ATOM 770 N ASP A 48 1.620 1.061 11.128 1.00 1.00 N ATOM 771 CA ASP A 48 0.306 0.441 11.026 1.00 1.00 C ATOM 772 C ASP A 48 -0.390 1.002 9.796 1.00 1.00 C ATOM 773 O ASP A 48 0.255 1.467 8.858 1.00 1.00 O ATOM 774 CB ASP A 48 -0.520 0.693 12.297 1.00 1.00 C ATOM 775 CG ASP A 48 -1.128 2.099 12.352 1.00 1.00 C ATOM 776 OD1 ASP A 48 -0.366 3.094 12.337 1.00 1.00 O ATOM 777 OD2 ASP A 48 -2.376 2.206 12.325 1.00 1.00 O ATOM 0 H ASP A 48 1.559 2.079 11.163 1.00 1.00 H new ATOM 0 HA ASP A 48 0.411 -0.639 10.927 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.320 -0.045 12.355 1.00 1.00 H new ATOM 0 HB3 ASP A 48 0.115 0.544 13.171 1.00 1.00 H new ATOM 782 N ALA A 49 -1.709 0.900 9.777 1.00 1.00 N ATOM 783 CA ALA A 49 -2.568 1.456 8.750 1.00 1.00 C ATOM 784 C ALA A 49 -2.431 2.974 8.631 1.00 1.00 C ATOM 785 O ALA A 49 -2.156 3.465 7.537 1.00 1.00 O ATOM 786 CB ALA A 49 -4.019 1.102 9.108 1.00 1.00 C ATOM 0 H ALA A 49 -2.228 0.409 10.505 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.276 1.034 7.788 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.690 1.508 8.351 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.130 0.018 9.147 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.268 1.528 10.080 1.00 1.00 H new ATOM 792 N LEU A 50 -2.646 3.735 9.708 1.00 1.00 N ATOM 793 CA LEU A 50 -2.621 5.195 9.601 1.00 1.00 C ATOM 794 C LEU A 50 -1.217 5.667 9.263 1.00 1.00 C ATOM 795 O LEU A 50 -1.037 6.488 8.366 1.00 1.00 O ATOM 796 CB LEU A 50 -3.107 5.857 10.890 1.00 1.00 C ATOM 797 CG LEU A 50 -3.188 7.400 10.809 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.076 7.901 9.660 1.00 1.00 C ATOM 799 CD2 LEU A 50 -3.736 7.946 12.132 1.00 1.00 C ATOM 0 H LEU A 50 -2.835 3.375 10.643 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.301 5.487 8.800 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.092 5.464 11.140 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.437 5.580 11.704 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.177 7.760 10.617 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -4.090 8.991 9.659 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -3.679 7.543 8.710 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -5.090 7.525 9.794 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -3.795 9.033 12.080 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -4.730 7.537 12.311 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -3.073 7.657 12.947 1.00 1.00 H new ATOM 811 N ASP A 51 -0.223 5.110 9.959 1.00 1.00 N ATOM 812 CA ASP A 51 1.171 5.425 9.667 1.00 1.00 C ATOM 813 C ASP A 51 1.535 5.086 8.239 1.00 1.00 C ATOM 814 O ASP A 51 2.258 5.867 7.626 1.00 1.00 O ATOM 815 CB ASP A 51 2.167 4.796 10.644 1.00 1.00 C ATOM 816 CG ASP A 51 2.334 5.576 11.943 1.00 1.00 C ATOM 817 OD1 ASP A 51 2.013 6.787 11.984 1.00 1.00 O ATOM 818 OD2 ASP A 51 2.876 5.009 12.918 1.00 1.00 O ATOM 0 H ASP A 51 -0.358 4.445 10.721 1.00 1.00 H new ATOM 0 HA ASP A 51 1.252 6.504 9.801 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.840 3.783 10.879 1.00 1.00 H new ATOM 0 HB3 ASP A 51 3.137 4.712 10.155 1.00 1.00 H new ATOM 823 N LEU A 52 1.079 3.948 7.703 1.00 1.00 N ATOM 824 CA LEU A 52 1.305 3.646 6.302 1.00 1.00 C ATOM 825 C LEU A 52 0.644 4.712 5.468 1.00 1.00 C ATOM 826 O LEU A 52 1.355 5.303 4.677 1.00 1.00 O ATOM 827 CB LEU A 52 0.779 2.266 5.897 1.00 1.00 C ATOM 828 CG LEU A 52 0.739 2.066 4.350 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.676 0.969 3.861 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.696 1.783 3.911 1.00 1.00 C ATOM 0 H LEU A 52 0.560 3.236 8.217 1.00 1.00 H new ATOM 0 HA LEU A 52 2.382 3.629 6.133 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.410 1.497 6.342 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.224 2.131 6.303 1.00 1.00 H new ATOM 0 HG LEU A 52 1.094 2.990 3.895 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.600 0.882 2.777 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.702 1.218 4.134 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.398 0.021 4.322 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.725 1.643 2.830 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.056 0.880 4.404 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.333 2.624 4.185 1.00 1.00 H new ATOM 842 N THR A 53 -0.657 4.938 5.613 1.00 1.00 N ATOM 843 CA THR A 53 -1.403 5.861 4.777 1.00 1.00 C ATOM 844 C THR A 53 -0.659 7.184 4.657 1.00 1.00 C ATOM 845 O THR A 53 -0.352 7.616 3.548 1.00 1.00 O ATOM 846 CB THR A 53 -2.834 6.014 5.321 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.437 4.746 5.477 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.713 6.825 4.369 1.00 1.00 C ATOM 0 H THR A 53 -1.226 4.478 6.324 1.00 1.00 H new ATOM 0 HA THR A 53 -1.489 5.465 3.765 1.00 1.00 H new ATOM 0 HB THR A 53 -2.755 6.530 6.278 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.111 4.328 6.301 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.716 6.913 4.786 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.286 7.819 4.238 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.764 6.322 3.403 1.00 1.00 H new ATOM 856 N ASP A 54 -0.295 7.788 5.781 1.00 1.00 N ATOM 857 CA ASP A 54 0.341 9.096 5.779 1.00 1.00 C ATOM 858 C ASP A 54 1.788 9.045 5.310 1.00 1.00 C ATOM 859 O ASP A 54 2.260 10.004 4.691 1.00 1.00 O ATOM 860 CB ASP A 54 0.159 9.768 7.133 1.00 1.00 C ATOM 861 CG ASP A 54 -1.228 10.411 7.186 1.00 1.00 C ATOM 862 OD1 ASP A 54 -2.227 9.725 6.874 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.286 11.637 7.434 1.00 1.00 O ATOM 0 H ASP A 54 -0.431 7.389 6.710 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.159 9.720 5.039 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.266 9.037 7.934 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.930 10.523 7.286 1.00 1.00 H new ATOM 868 N LYS A 55 2.510 7.953 5.583 1.00 1.00 N ATOM 869 CA LYS A 55 3.866 7.759 5.071 1.00 1.00 C ATOM 870 C LYS A 55 3.759 7.709 3.556 1.00 1.00 C ATOM 871 O LYS A 55 4.345 8.534 2.876 1.00 1.00 O ATOM 872 CB LYS A 55 4.509 6.457 5.600 1.00 1.00 C ATOM 873 CG LYS A 55 5.948 6.196 5.100 1.00 1.00 C ATOM 874 CD LYS A 55 7.096 6.761 5.950 1.00 1.00 C ATOM 875 CE LYS A 55 7.208 8.288 5.940 1.00 1.00 C ATOM 876 NZ LYS A 55 6.330 8.926 6.937 1.00 1.00 N ATOM 0 H LYS A 55 2.171 7.184 6.162 1.00 1.00 H new ATOM 0 HA LYS A 55 4.506 8.576 5.406 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.518 6.489 6.689 1.00 1.00 H new ATOM 0 HB3 LYS A 55 3.881 5.615 5.311 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.087 5.118 5.017 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.037 6.607 4.095 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.967 6.427 6.979 1.00 1.00 H new ATOM 0 HD3 LYS A 55 8.036 6.339 5.594 1.00 1.00 H new ATOM 0 HE2 LYS A 55 8.241 8.574 6.135 1.00 1.00 H new ATOM 0 HE3 LYS A 55 6.956 8.661 4.947 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 5.854 9.745 6.507 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 5.617 8.241 7.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 6.899 9.243 7.748 1.00 1.00 H new ATOM 890 N LEU A 56 3.020 6.731 3.048 1.00 1.00 N ATOM 891 CA LEU A 56 2.796 6.363 1.664 1.00 1.00 C ATOM 892 C LEU A 56 2.358 7.613 0.892 1.00 1.00 C ATOM 893 O LEU A 56 2.941 7.933 -0.140 1.00 1.00 O ATOM 894 CB LEU A 56 1.793 5.185 1.755 1.00 1.00 C ATOM 895 CG LEU A 56 1.227 4.454 0.537 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.294 5.378 -0.221 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.276 3.812 -0.374 1.00 1.00 C ATOM 0 H LEU A 56 2.506 6.108 3.672 1.00 1.00 H new ATOM 0 HA LEU A 56 3.661 6.019 1.097 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.270 4.425 2.373 1.00 1.00 H new ATOM 0 HB3 LEU A 56 0.934 5.557 2.314 1.00 1.00 H new ATOM 0 HG LEU A 56 0.665 3.601 0.918 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -0.109 4.856 -1.089 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.524 5.683 0.431 1.00 1.00 H new ATOM 0 HD13 LEU A 56 0.844 6.260 -0.551 1.00 1.00 H new ATOM 0 HD21 LEU A 56 1.779 3.318 -1.209 1.00 1.00 H new ATOM 0 HD22 LEU A 56 2.947 4.582 -0.755 1.00 1.00 H new ATOM 0 HD23 LEU A 56 2.850 3.078 0.192 1.00 1.00 H new ATOM 909 N VAL A 57 1.407 8.382 1.415 1.00 1.00 N ATOM 910 CA VAL A 57 0.950 9.626 0.807 1.00 1.00 C ATOM 911 C VAL A 57 2.065 10.678 0.745 1.00 1.00 C ATOM 912 O VAL A 57 2.309 11.229 -0.329 1.00 1.00 O ATOM 913 CB VAL A 57 -0.299 10.099 1.571 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.630 11.571 1.319 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.495 9.219 1.173 1.00 1.00 C ATOM 0 H VAL A 57 0.926 8.154 2.285 1.00 1.00 H new ATOM 0 HA VAL A 57 0.677 9.459 -0.235 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.088 10.004 2.636 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.520 11.846 1.885 1.00 1.00 H new ATOM 0 HG12 VAL A 57 0.208 12.192 1.637 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -0.814 11.726 0.256 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.384 9.548 1.711 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.668 9.303 0.100 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.282 8.180 1.426 1.00 1.00 H new ATOM 925 N SER A 58 2.719 11.023 1.860 1.00 1.00 N ATOM 926 CA SER A 58 3.716 12.093 1.854 1.00 1.00 C ATOM 927 C SER A 58 4.950 11.681 1.049 1.00 1.00 C ATOM 928 O SER A 58 5.566 12.506 0.375 1.00 1.00 O ATOM 929 CB SER A 58 4.095 12.431 3.305 1.00 1.00 C ATOM 930 OG SER A 58 5.066 13.467 3.385 1.00 1.00 O ATOM 0 H SER A 58 2.576 10.581 2.768 1.00 1.00 H new ATOM 0 HA SER A 58 3.295 12.978 1.376 1.00 1.00 H new ATOM 0 HB2 SER A 58 3.201 12.732 3.850 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.481 11.537 3.795 1.00 1.00 H new ATOM 0 HG SER A 58 5.274 13.648 4.325 1.00 1.00 H new ATOM 936 N PHE A 59 5.366 10.427 1.165 1.00 1.00 N ATOM 937 CA PHE A 59 6.572 9.885 0.563 1.00 1.00 C ATOM 938 C PHE A 59 6.412 9.703 -0.943 1.00 1.00 C ATOM 939 O PHE A 59 7.419 9.599 -1.649 1.00 1.00 O ATOM 940 CB PHE A 59 6.888 8.580 1.283 1.00 1.00 C ATOM 941 CG PHE A 59 8.289 8.046 1.136 1.00 1.00 C ATOM 942 CD1 PHE A 59 9.383 8.717 1.715 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.473 6.791 0.547 1.00 1.00 C ATOM 944 CE1 PHE A 59 10.650 8.106 1.744 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.726 6.175 0.599 1.00 1.00 C ATOM 946 CZ PHE A 59 10.818 6.819 1.207 1.00 1.00 C ATOM 0 H PHE A 59 4.849 9.732 1.704 1.00 1.00 H new ATOM 0 HA PHE A 59 7.407 10.576 0.678 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.688 8.721 2.345 1.00 1.00 H new ATOM 0 HB3 PHE A 59 6.195 7.818 0.926 1.00 1.00 H new ATOM 0 HD1 PHE A 59 9.249 9.702 2.137 1.00 1.00 H new ATOM 0 HD2 PHE A 59 7.648 6.299 0.053 1.00 1.00 H new ATOM 0 HE1 PHE A 59 11.492 8.625 2.178 1.00 1.00 H new ATOM 0 HE2 PHE A 59 9.857 5.194 0.168 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.778 6.328 1.261 1.00 1.00 H new ATOM 956 N TYR A 60 5.175 9.688 -1.447 1.00 1.00 N ATOM 957 CA TYR A 60 4.917 9.640 -2.871 1.00 1.00 C ATOM 958 C TYR A 60 4.032 10.834 -3.217 1.00 1.00 C ATOM 959 O TYR A 60 4.573 11.926 -3.327 1.00 1.00 O ATOM 960 CB TYR A 60 4.359 8.272 -3.281 1.00 1.00 C ATOM 961 CG TYR A 60 5.261 7.097 -2.929 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.496 6.942 -3.575 1.00 1.00 C ATOM 963 CD2 TYR A 60 4.887 6.173 -1.936 1.00 1.00 C ATOM 964 CE1 TYR A 60 7.352 5.887 -3.217 1.00 1.00 C ATOM 965 CE2 TYR A 60 5.746 5.126 -1.558 1.00 1.00 C ATOM 966 CZ TYR A 60 6.989 4.977 -2.203 1.00 1.00 C ATOM 967 OH TYR A 60 7.841 3.974 -1.846 1.00 1.00 O ATOM 0 H TYR A 60 4.332 9.709 -0.873 1.00 1.00 H new ATOM 0 HA TYR A 60 5.832 9.732 -3.456 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.391 8.129 -2.801 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.184 8.271 -4.357 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.790 7.635 -4.349 1.00 1.00 H new ATOM 0 HD2 TYR A 60 3.924 6.270 -1.456 1.00 1.00 H new ATOM 0 HE1 TYR A 60 8.299 5.772 -3.724 1.00 1.00 H new ATOM 0 HE2 TYR A 60 5.454 4.440 -0.777 1.00 1.00 H new ATOM 0 HH TYR A 60 8.622 3.982 -2.438 1.00 1.00 H new ATOM 977 N LEU A 61 2.710 10.666 -3.306 1.00 1.00 N ATOM 978 CA LEU A 61 1.700 11.667 -3.664 1.00 1.00 C ATOM 979 C LEU A 61 0.342 11.120 -3.225 1.00 1.00 C ATOM 980 O LEU A 61 0.202 9.902 -3.103 1.00 1.00 O ATOM 981 CB LEU A 61 1.572 11.850 -5.190 1.00 1.00 C ATOM 982 CG LEU A 61 2.558 12.721 -5.985 1.00 1.00 C ATOM 983 CD1 LEU A 61 2.941 14.015 -5.261 1.00 1.00 C ATOM 984 CD2 LEU A 61 3.756 11.922 -6.512 1.00 1.00 C ATOM 0 H LEU A 61 2.285 9.758 -3.115 1.00 1.00 H new ATOM 0 HA LEU A 61 1.989 12.608 -3.196 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.604 10.854 -5.631 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.575 12.250 -5.378 1.00 1.00 H new ATOM 0 HG LEU A 61 2.022 13.055 -6.873 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.639 14.583 -5.876 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.046 14.611 -5.083 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.411 13.773 -4.308 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.420 12.585 -7.066 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.297 11.483 -5.674 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.403 11.129 -7.171 1.00 1.00 H new ATOM 996 N GLU A 62 -0.688 11.968 -3.111 1.00 1.00 N ATOM 997 CA GLU A 62 -2.044 11.498 -2.818 1.00 1.00 C ATOM 998 C GLU A 62 -2.623 10.732 -4.025 1.00 1.00 C ATOM 999 O GLU A 62 -3.620 10.028 -3.880 1.00 1.00 O ATOM 1000 CB GLU A 62 -2.980 12.643 -2.373 1.00 1.00 C ATOM 1001 CG GLU A 62 -2.765 12.969 -0.884 1.00 1.00 C ATOM 1002 CD GLU A 62 -3.749 13.976 -0.277 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -3.670 15.182 -0.597 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -4.564 13.611 0.600 1.00 1.00 O ATOM 0 H GLU A 62 -0.607 12.979 -3.217 1.00 1.00 H new ATOM 0 HA GLU A 62 -1.976 10.811 -1.974 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.790 13.531 -2.976 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -4.018 12.358 -2.543 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -2.825 12.041 -0.315 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -1.754 13.355 -0.758 1.00 1.00 H new ATOM 1011 N THR A 63 -2.029 10.821 -5.214 1.00 1.00 N ATOM 1012 CA THR A 63 -2.436 10.048 -6.389 1.00 1.00 C ATOM 1013 C THR A 63 -1.574 8.786 -6.513 1.00 1.00 C ATOM 1014 O THR A 63 -2.100 7.680 -6.370 1.00 1.00 O ATOM 1015 CB THR A 63 -2.420 10.958 -7.624 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.319 12.025 -7.377 1.00 1.00 O ATOM 1017 CG2 THR A 63 -2.855 10.240 -8.902 1.00 1.00 C ATOM 0 H THR A 63 -1.239 11.441 -5.392 1.00 1.00 H new ATOM 0 HA THR A 63 -3.460 9.689 -6.289 1.00 1.00 H new ATOM 0 HB THR A 63 -1.397 11.299 -7.782 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.331 12.628 -8.149 1.00 1.00 H new ATOM 0 HG21 THR A 63 -2.823 10.937 -9.740 1.00 1.00 H new ATOM 0 HG22 THR A 63 -2.182 9.406 -9.098 1.00 1.00 H new ATOM 0 HG23 THR A 63 -3.871 9.865 -8.781 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.259 8.928 -6.737 1.00 1.00 N ATOM 1026 CA TYR A 64 0.638 7.783 -6.908 1.00 1.00 C ATOM 1027 C TYR A 64 0.595 6.852 -5.692 1.00 1.00 C ATOM 1028 O TYR A 64 0.790 5.655 -5.848 1.00 1.00 O ATOM 1029 CB TYR A 64 2.075 8.251 -7.193 1.00 1.00 C ATOM 1030 CG TYR A 64 3.086 7.143 -7.470 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.706 6.471 -6.399 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.442 6.800 -8.791 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.715 5.524 -6.628 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.427 5.820 -9.034 1.00 1.00 C ATOM 1035 CZ TYR A 64 5.087 5.195 -7.948 1.00 1.00 C ATOM 1036 OH TYR A 64 6.072 4.275 -8.144 1.00 1.00 O ATOM 0 H TYR A 64 0.206 9.833 -6.804 1.00 1.00 H new ATOM 0 HA TYR A 64 0.289 7.214 -7.770 1.00 1.00 H new ATOM 0 HB2 TYR A 64 2.056 8.923 -8.051 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.425 8.832 -6.340 1.00 1.00 H new ATOM 0 HD1 TYR A 64 3.400 6.688 -5.386 1.00 1.00 H new ATOM 0 HD2 TYR A 64 2.957 7.291 -9.622 1.00 1.00 H new ATOM 0 HE1 TYR A 64 5.207 5.047 -5.793 1.00 1.00 H new ATOM 0 HE2 TYR A 64 4.678 5.546 -10.048 1.00 1.00 H new ATOM 0 HH TYR A 64 6.218 4.151 -9.105 1.00 1.00 H new ATOM 1046 N GLY A 65 0.305 7.357 -4.489 1.00 1.00 N ATOM 1047 CA GLY A 65 0.157 6.534 -3.304 1.00 1.00 C ATOM 1048 C GLY A 65 -0.908 5.452 -3.483 1.00 1.00 C ATOM 1049 O GLY A 65 -0.633 4.267 -3.281 1.00 1.00 O ATOM 0 H GLY A 65 0.167 8.353 -4.318 1.00 1.00 H new ATOM 0 HA2 GLY A 65 1.112 6.066 -3.067 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.108 7.165 -2.456 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.127 5.823 -3.871 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.202 4.859 -4.080 1.00 1.00 C ATOM 1055 C ALA A 66 -2.893 3.943 -5.257 1.00 1.00 C ATOM 1056 O ALA A 66 -3.289 2.776 -5.251 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.523 5.584 -4.319 1.00 1.00 C ATOM 0 H ALA A 66 -2.394 6.791 -4.048 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.286 4.248 -3.181 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.317 4.853 -4.473 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.761 6.201 -3.453 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.436 6.217 -5.202 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.206 4.468 -6.268 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.783 3.711 -7.435 1.00 1.00 C ATOM 1065 C GLU A 67 -0.804 2.611 -6.999 1.00 1.00 C ATOM 1066 O GLU A 67 -1.018 1.444 -7.332 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.238 4.685 -8.488 1.00 1.00 C ATOM 1068 CG GLU A 67 -1.218 4.042 -9.876 1.00 1.00 C ATOM 1069 CD GLU A 67 -1.097 5.082 -10.988 1.00 1.00 C ATOM 1070 OE1 GLU A 67 -0.131 5.875 -10.988 1.00 1.00 O ATOM 1071 OE2 GLU A 67 -1.958 5.082 -11.900 1.00 1.00 O ATOM 0 H GLU A 67 -1.925 5.448 -6.297 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.615 3.190 -7.910 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.854 5.584 -8.509 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.230 4.996 -8.213 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -0.383 3.344 -9.940 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -2.130 3.462 -10.020 1.00 1.00 H new ATOM 1078 N LEU A 68 0.211 2.965 -6.199 1.00 1.00 N ATOM 1079 CA LEU A 68 1.181 2.061 -5.582 1.00 1.00 C ATOM 1080 C LEU A 68 0.410 1.026 -4.793 1.00 1.00 C ATOM 1081 O LEU A 68 0.609 -0.161 -5.012 1.00 1.00 O ATOM 1082 CB LEU A 68 2.165 2.831 -4.673 1.00 1.00 C ATOM 1083 CG LEU A 68 3.138 1.936 -3.868 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.252 2.802 -3.272 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.496 1.193 -2.684 1.00 1.00 C ATOM 0 H LEU A 68 0.383 3.940 -5.955 1.00 1.00 H new ATOM 0 HA LEU A 68 1.781 1.577 -6.352 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.748 3.515 -5.289 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.592 3.441 -3.975 1.00 1.00 H new ATOM 0 HG LEU A 68 3.495 1.196 -4.584 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.938 2.173 -2.705 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.796 3.299 -4.075 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.816 3.551 -2.611 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.252 0.591 -2.179 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.080 1.916 -1.983 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.701 0.544 -3.050 1.00 1.00 H new ATOM 1097 N THR A 69 -0.450 1.471 -3.878 1.00 1.00 N ATOM 1098 CA THR A 69 -1.181 0.599 -2.973 1.00 1.00 C ATOM 1099 C THR A 69 -1.892 -0.470 -3.797 1.00 1.00 C ATOM 1100 O THR A 69 -1.602 -1.647 -3.620 1.00 1.00 O ATOM 1101 CB THR A 69 -2.111 1.427 -2.073 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.371 2.432 -1.420 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.777 0.602 -0.974 1.00 1.00 C ATOM 0 H THR A 69 -0.658 2.461 -3.746 1.00 1.00 H new ATOM 0 HA THR A 69 -0.508 0.081 -2.290 1.00 1.00 H new ATOM 0 HB THR A 69 -2.878 1.831 -2.733 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.200 3.169 -2.043 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.420 1.246 -0.375 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.375 -0.189 -1.425 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.011 0.159 -0.337 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.735 -0.085 -4.759 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.450 -1.041 -5.593 1.00 1.00 C ATOM 1113 C ALA A 70 -2.492 -1.939 -6.400 1.00 1.00 C ATOM 1114 O ALA A 70 -2.827 -3.096 -6.658 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.344 -0.269 -6.567 1.00 1.00 C ATOM 0 H ALA A 70 -2.937 0.891 -4.977 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.039 -1.685 -4.939 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -4.886 -0.972 -7.199 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -5.055 0.337 -6.006 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.728 0.379 -7.191 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.331 -1.430 -6.834 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.346 -2.196 -7.605 1.00 1.00 C ATOM 1123 C ASN A 71 0.254 -3.305 -6.761 1.00 1.00 C ATOM 1124 O ASN A 71 0.198 -4.477 -7.117 1.00 1.00 O ATOM 1125 CB ASN A 71 0.812 -1.318 -8.099 1.00 1.00 C ATOM 1126 CG ASN A 71 1.631 -2.079 -9.136 1.00 1.00 C ATOM 1127 OD1 ASN A 71 1.105 -2.476 -10.174 1.00 1.00 O ATOM 1128 ND2 ASN A 71 2.912 -2.301 -8.895 1.00 1.00 N ATOM 0 H ASN A 71 -1.048 -0.466 -6.657 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.884 -2.605 -8.460 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.423 -0.397 -8.534 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.446 -1.031 -7.260 1.00 1.00 H new ATOM 0 HD21 ASN A 71 3.478 -2.808 -9.575 1.00 1.00 H new ATOM 0 HD22 ASN A 71 3.334 -1.965 -8.029 1.00 1.00 H new ATOM 1135 N VAL A 72 0.846 -2.911 -5.639 1.00 1.00 N ATOM 1136 CA VAL A 72 1.479 -3.812 -4.685 1.00 1.00 C ATOM 1137 C VAL A 72 0.426 -4.783 -4.122 1.00 1.00 C ATOM 1138 O VAL A 72 0.732 -5.947 -3.884 1.00 1.00 O ATOM 1139 CB VAL A 72 2.221 -3.004 -3.602 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.985 -3.953 -2.673 1.00 1.00 C ATOM 1141 CG2 VAL A 72 3.249 -2.005 -4.175 1.00 1.00 C ATOM 0 H VAL A 72 0.900 -1.931 -5.361 1.00 1.00 H new ATOM 0 HA VAL A 72 2.237 -4.421 -5.177 1.00 1.00 H new ATOM 0 HB VAL A 72 1.449 -2.443 -3.074 1.00 1.00 H new ATOM 0 HG11 VAL A 72 3.507 -3.374 -1.911 1.00 1.00 H new ATOM 0 HG12 VAL A 72 2.284 -4.636 -2.194 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.709 -4.525 -3.253 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.733 -1.471 -3.357 1.00 1.00 H new ATOM 0 HG22 VAL A 72 4.000 -2.546 -4.750 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.740 -1.291 -4.823 1.00 1.00 H new ATOM 1151 N LEU A 73 -0.824 -4.346 -3.945 1.00 1.00 N ATOM 1152 CA LEU A 73 -1.921 -5.214 -3.529 1.00 1.00 C ATOM 1153 C LEU A 73 -2.112 -6.291 -4.599 1.00 1.00 C ATOM 1154 O LEU A 73 -2.158 -7.478 -4.281 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.191 -4.377 -3.287 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.210 -3.676 -1.912 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.405 -2.716 -1.882 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.214 -4.642 -0.723 1.00 1.00 C ATOM 0 H LEU A 73 -1.101 -3.375 -4.088 1.00 1.00 H new ATOM 0 HA LEU A 73 -1.695 -5.710 -2.585 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.276 -3.625 -4.071 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.065 -5.024 -3.369 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.279 -3.121 -1.797 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.439 -2.208 -0.918 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.299 -1.978 -2.677 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.327 -3.278 -2.029 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.228 -4.074 0.207 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.098 -5.277 -0.773 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.319 -5.263 -0.756 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.151 -5.918 -5.881 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.215 -6.910 -6.954 1.00 1.00 C ATOM 1172 C ARG A 74 -0.959 -7.780 -6.986 1.00 1.00 C ATOM 1173 O ARG A 74 -1.068 -8.936 -7.390 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.579 -6.249 -8.288 1.00 1.00 C ATOM 1175 CG ARG A 74 -2.853 -7.289 -9.389 1.00 1.00 C ATOM 1176 CD ARG A 74 -3.854 -6.800 -10.441 1.00 1.00 C ATOM 1177 NE ARG A 74 -3.473 -5.507 -11.030 1.00 1.00 N ATOM 1178 CZ ARG A 74 -3.494 -5.139 -12.315 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -3.763 -6.005 -13.286 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -3.230 -3.871 -12.604 1.00 1.00 N ATOM 0 H ARG A 74 -2.140 -4.948 -6.197 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.027 -7.608 -6.750 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.460 -5.622 -8.154 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.766 -5.594 -8.602 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -1.914 -7.545 -9.880 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -3.233 -8.202 -8.931 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -3.936 -7.545 -11.232 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -4.840 -6.710 -9.984 1.00 1.00 H new ATOM 0 HE ARG A 74 -3.150 -4.798 -10.371 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -3.961 -6.980 -13.060 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -3.772 -5.695 -14.258 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -3.019 -3.211 -11.856 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -3.238 -3.557 -13.574 1.00 1.00 H new ATOM 1194 N ASP A 75 0.208 -7.295 -6.553 1.00 1.00 N ATOM 1195 CA ASP A 75 1.412 -8.125 -6.448 1.00 1.00 C ATOM 1196 C ASP A 75 1.197 -9.172 -5.348 1.00 1.00 C ATOM 1197 O ASP A 75 1.676 -10.299 -5.469 1.00 1.00 O ATOM 1198 CB ASP A 75 2.671 -7.291 -6.196 1.00 1.00 C ATOM 1199 CG ASP A 75 3.939 -8.149 -6.163 1.00 1.00 C ATOM 1200 OD1 ASP A 75 4.094 -9.074 -6.996 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.847 -7.867 -5.353 1.00 1.00 O ATOM 0 H ASP A 75 0.345 -6.325 -6.268 1.00 1.00 H new ATOM 0 HA ASP A 75 1.576 -8.629 -7.401 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.766 -6.536 -6.976 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.569 -6.760 -5.249 1.00 1.00 H new ATOM 1206 N MET A 76 0.440 -8.847 -4.289 1.00 1.00 N ATOM 1207 CA MET A 76 0.083 -9.826 -3.258 1.00 1.00 C ATOM 1208 C MET A 76 -0.846 -10.883 -3.856 1.00 1.00 C ATOM 1209 O MET A 76 -0.762 -12.055 -3.486 1.00 1.00 O ATOM 1210 CB MET A 76 -0.640 -9.219 -2.045 1.00 1.00 C ATOM 1211 CG MET A 76 0.127 -8.153 -1.274 1.00 1.00 C ATOM 1212 SD MET A 76 -0.964 -7.147 -0.241 1.00 1.00 S ATOM 1213 CE MET A 76 -1.596 -8.375 0.929 1.00 1.00 C ATOM 0 H MET A 76 0.064 -7.913 -4.127 1.00 1.00 H new ATOM 0 HA MET A 76 1.027 -10.246 -2.912 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.580 -8.786 -2.387 1.00 1.00 H new ATOM 0 HB3 MET A 76 -0.892 -10.026 -1.357 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.881 -8.630 -0.648 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.657 -7.509 -1.976 1.00 1.00 H new ATOM 0 HE1 MET A 76 -2.182 -7.875 1.700 1.00 1.00 H new ATOM 0 HE2 MET A 76 -2.226 -9.090 0.401 1.00 1.00 H new ATOM 0 HE3 MET A 76 -0.761 -8.900 1.392 1.00 1.00 H new ATOM 1223 N GLY A 77 -1.697 -10.449 -4.784 1.00 1.00 N ATOM 1224 CA GLY A 77 -2.751 -11.198 -5.458 1.00 1.00 C ATOM 1225 C GLY A 77 -4.146 -10.627 -5.169 1.00 1.00 C ATOM 1226 O GLY A 77 -5.145 -11.148 -5.672 1.00 1.00 O ATOM 0 H GLY A 77 -1.662 -9.483 -5.110 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -2.572 -11.187 -6.533 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -2.714 -12.240 -5.140 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.238 -9.555 -4.381 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.462 -8.827 -4.085 1.00 1.00 C ATOM 1232 C LEU A 78 -5.826 -8.012 -5.327 1.00 1.00 C ATOM 1233 O LEU A 78 -5.082 -7.112 -5.706 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.210 -7.951 -2.845 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.448 -7.224 -2.293 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -6.045 -6.370 -1.093 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -7.075 -6.255 -3.297 1.00 1.00 C ATOM 0 H LEU A 78 -3.423 -9.157 -3.914 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.301 -9.485 -3.856 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -4.795 -8.578 -2.056 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.453 -7.207 -3.093 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.164 -8.007 -2.044 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.922 -5.855 -0.702 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.623 -7.009 -0.317 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.301 -5.636 -1.402 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.943 -5.775 -2.846 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -6.344 -5.496 -3.575 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.385 -6.803 -4.187 1.00 1.00 H new ATOM 1249 N GLN A 79 -6.976 -8.280 -5.943 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.469 -7.507 -7.085 1.00 1.00 C ATOM 1251 C GLN A 79 -8.804 -6.816 -6.781 1.00 1.00 C ATOM 1252 O GLN A 79 -9.051 -5.719 -7.272 1.00 1.00 O ATOM 1253 CB GLN A 79 -7.495 -8.383 -8.351 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.254 -9.718 -8.243 1.00 1.00 C ATOM 1255 CD GLN A 79 -9.768 -9.572 -8.160 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -10.377 -8.830 -8.921 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -10.428 -10.278 -7.263 1.00 1.00 N ATOM 0 H GLN A 79 -7.595 -9.041 -5.664 1.00 1.00 H new ATOM 0 HA GLN A 79 -6.774 -6.691 -7.282 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -7.939 -7.802 -9.160 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -6.466 -8.597 -8.640 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.007 -10.334 -9.107 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -7.903 -10.252 -7.360 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -9.923 -10.896 -6.628 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -11.444 -10.206 -7.204 1.00 1.00 H new ATOM 1266 N GLU A 80 -9.626 -7.407 -5.915 1.00 1.00 N ATOM 1267 CA GLU A 80 -10.963 -6.935 -5.577 1.00 1.00 C ATOM 1268 C GLU A 80 -10.901 -5.535 -4.951 1.00 1.00 C ATOM 1269 O GLU A 80 -11.347 -4.544 -5.543 1.00 1.00 O ATOM 1270 CB GLU A 80 -11.688 -7.976 -4.694 1.00 1.00 C ATOM 1271 CG GLU A 80 -10.851 -8.710 -3.618 1.00 1.00 C ATOM 1272 CD GLU A 80 -10.142 -9.958 -4.167 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -10.770 -11.045 -4.198 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -8.978 -9.854 -4.624 1.00 1.00 O ATOM 0 H GLU A 80 -9.368 -8.257 -5.413 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.557 -6.831 -6.485 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.514 -7.473 -4.192 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.125 -8.728 -5.351 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -10.108 -8.024 -3.212 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -11.502 -9.000 -2.793 1.00 1.00 H new ATOM 1281 N MET A 81 -10.302 -5.437 -3.763 1.00 1.00 N ATOM 1282 CA MET A 81 -10.066 -4.170 -3.096 1.00 1.00 C ATOM 1283 C MET A 81 -9.151 -3.283 -3.934 1.00 1.00 C ATOM 1284 O MET A 81 -9.400 -2.097 -3.935 1.00 1.00 O ATOM 1285 CB MET A 81 -9.723 -4.405 -1.619 1.00 1.00 C ATOM 1286 CG MET A 81 -8.989 -3.245 -0.957 1.00 1.00 C ATOM 1287 SD MET A 81 -9.476 -3.044 0.765 1.00 1.00 S ATOM 1288 CE MET A 81 -8.609 -4.421 1.543 1.00 1.00 C ATOM 0 H MET A 81 -9.967 -6.245 -3.238 1.00 1.00 H new ATOM 0 HA MET A 81 -10.969 -3.563 -3.033 1.00 1.00 H new ATOM 0 HB2 MET A 81 -10.644 -4.598 -1.070 1.00 1.00 H new ATOM 0 HB3 MET A 81 -9.109 -5.302 -1.538 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.914 -3.415 -1.014 1.00 1.00 H new ATOM 0 HG3 MET A 81 -9.195 -2.325 -1.503 1.00 1.00 H new ATOM 0 HE1 MET A 81 -9.095 -4.670 2.486 1.00 1.00 H new ATOM 0 HE2 MET A 81 -8.634 -5.287 0.882 1.00 1.00 H new ATOM 0 HE3 MET A 81 -7.573 -4.139 1.732 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.201 -3.774 -4.735 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.414 -2.903 -5.615 1.00 1.00 C ATOM 1300 C ALA A 82 -8.328 -2.136 -6.595 1.00 1.00 C ATOM 1301 O ALA A 82 -8.140 -0.932 -6.820 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.351 -3.720 -6.361 1.00 1.00 C ATOM 0 H ALA A 82 -7.959 -4.763 -4.793 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.901 -2.162 -5.002 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.775 -3.061 -7.010 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.684 -4.193 -5.640 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -6.838 -4.487 -6.963 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.335 -2.807 -7.161 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.333 -2.193 -8.026 1.00 1.00 C ATOM 1310 C GLY A 83 -11.191 -1.183 -7.264 1.00 1.00 C ATOM 1311 O GLY A 83 -11.393 -0.066 -7.753 1.00 1.00 O ATOM 0 H GLY A 83 -9.478 -3.808 -7.026 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -9.837 -1.695 -8.859 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -10.972 -2.967 -8.452 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.676 -1.549 -6.068 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.427 -0.626 -5.211 1.00 1.00 C ATOM 1317 C GLN A 84 -11.585 0.602 -4.871 1.00 1.00 C ATOM 1318 O GLN A 84 -12.051 1.722 -5.004 1.00 1.00 O ATOM 1319 CB GLN A 84 -12.874 -1.303 -3.901 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.040 -2.282 -4.077 1.00 1.00 C ATOM 1321 CD GLN A 84 -15.299 -1.534 -4.502 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -15.648 -1.519 -5.680 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -15.971 -0.858 -3.587 1.00 1.00 N ATOM 0 H GLN A 84 -11.560 -2.482 -5.673 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.312 -0.323 -5.770 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.026 -1.836 -3.471 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.163 -0.533 -3.185 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -13.784 -3.032 -4.825 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -14.222 -2.813 -3.143 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -15.669 -0.880 -2.613 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -16.791 -0.314 -3.855 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.343 0.388 -4.465 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.370 1.354 -3.993 1.00 1.00 C ATOM 1334 C LEU A 85 -9.109 2.415 -5.049 1.00 1.00 C ATOM 1335 O LEU A 85 -9.091 3.612 -4.746 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.097 0.559 -3.675 1.00 1.00 C ATOM 1337 CG LEU A 85 -6.951 1.336 -3.047 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.309 1.655 -1.613 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.729 0.430 -2.972 1.00 1.00 C ATOM 0 H LEU A 85 -9.957 -0.556 -4.458 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.729 1.882 -3.110 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.363 -0.258 -3.004 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.737 0.108 -4.599 1.00 1.00 H new ATOM 0 HG LEU A 85 -6.762 2.235 -3.634 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.495 2.213 -1.150 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.219 2.255 -1.590 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.472 0.728 -1.064 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.899 0.975 -2.523 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.961 -0.444 -2.363 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.452 0.109 -3.976 1.00 1.00 H new ATOM 1351 N GLN A 86 -8.889 1.982 -6.295 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.734 2.921 -7.394 1.00 1.00 C ATOM 1353 C GLN A 86 -10.040 3.689 -7.614 1.00 1.00 C ATOM 1354 O GLN A 86 -10.011 4.920 -7.639 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.231 2.194 -8.647 1.00 1.00 C ATOM 1356 CG GLN A 86 -7.723 3.190 -9.706 1.00 1.00 C ATOM 1357 CD GLN A 86 -6.582 2.611 -10.540 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -6.731 2.335 -11.728 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -5.411 2.429 -9.953 1.00 1.00 N ATOM 0 H GLN A 86 -8.816 0.999 -6.559 1.00 1.00 H new ATOM 0 HA GLN A 86 -7.975 3.664 -7.148 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.428 1.509 -8.375 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.036 1.591 -9.068 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -8.546 3.470 -10.364 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -7.385 4.101 -9.213 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -5.294 2.660 -8.966 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -4.625 2.058 -10.487 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.176 2.989 -7.706 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.482 3.609 -7.915 1.00 1.00 C ATOM 1370 C ALA A 87 -12.916 4.515 -6.756 1.00 1.00 C ATOM 1371 O ALA A 87 -13.800 5.350 -6.921 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.529 2.515 -8.121 1.00 1.00 C ATOM 0 H ALA A 87 -11.212 1.972 -7.637 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.397 4.244 -8.797 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.506 2.972 -8.278 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.264 1.917 -8.993 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.565 1.875 -7.240 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.361 4.341 -5.562 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.609 5.200 -4.425 1.00 1.00 C ATOM 1380 C ALA A 88 -11.751 6.446 -4.617 1.00 1.00 C ATOM 1381 O ALA A 88 -12.271 7.561 -4.619 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.280 4.450 -3.133 1.00 1.00 C ATOM 0 H ALA A 88 -11.713 3.580 -5.360 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.656 5.495 -4.351 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.468 5.099 -2.278 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -12.907 3.561 -3.058 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.231 4.154 -3.141 1.00 1.00 H new ATOM 1388 N THR A 89 -10.445 6.263 -4.853 1.00 1.00 N ATOM 1389 CA THR A 89 -9.506 7.371 -4.981 1.00 1.00 C ATOM 1390 C THR A 89 -9.851 8.308 -6.142 1.00 1.00 C ATOM 1391 O THR A 89 -9.627 9.516 -6.030 1.00 1.00 O ATOM 1392 CB THR A 89 -8.048 6.883 -5.002 1.00 1.00 C ATOM 1393 OG1 THR A 89 -7.833 5.941 -3.966 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.104 8.070 -4.751 1.00 1.00 C ATOM 0 H THR A 89 -10.017 5.343 -4.959 1.00 1.00 H new ATOM 0 HA THR A 89 -9.609 7.981 -4.084 1.00 1.00 H new ATOM 0 HB THR A 89 -7.853 6.429 -5.973 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.139 5.057 -4.259 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.071 7.723 -4.766 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.246 8.819 -5.530 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.324 8.511 -3.779 1.00 1.00 H new ATOM 1402 N HIS A 90 -10.427 7.776 -7.216 1.00 1.00 N ATOM 1403 CA HIS A 90 -10.933 8.496 -8.377 1.00 1.00 C ATOM 1404 C HIS A 90 -11.847 7.551 -9.167 1.00 1.00 C ATOM 1405 O HIS A 90 -11.358 6.686 -9.900 1.00 1.00 O ATOM 1406 CB HIS A 90 -9.784 9.027 -9.243 1.00 1.00 C ATOM 1407 CG HIS A 90 -10.285 9.743 -10.471 1.00 1.00 C ATOM 1408 ND1 HIS A 90 -10.787 11.023 -10.530 1.00 1.00 N ATOM 1409 CD2 HIS A 90 -10.389 9.196 -11.717 1.00 1.00 C ATOM 1410 CE1 HIS A 90 -11.173 11.251 -11.797 1.00 1.00 C ATOM 1411 NE2 HIS A 90 -10.943 10.166 -12.559 1.00 1.00 N ATOM 0 H HIS A 90 -10.560 6.768 -7.303 1.00 1.00 H new ATOM 0 HA HIS A 90 -11.504 9.367 -8.055 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -9.170 9.707 -8.653 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -9.143 8.198 -9.543 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -10.097 8.196 -12.001 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -11.606 12.174 -12.153 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -11.135 10.070 -13.556 1.00 1.00 H new ATOM 1419 N GLN A 91 -13.164 7.686 -8.987 1.00 1.00 N ATOM 1420 CA GLN A 91 -14.147 6.789 -9.588 1.00 1.00 C ATOM 1421 C GLN A 91 -14.182 6.970 -11.091 1.00 1.00 C ATOM 1422 O GLN A 91 -14.305 8.121 -11.565 1.00 1.00 O ATOM 1423 CB GLN A 91 -15.532 6.996 -8.948 1.00 1.00 C ATOM 1424 CG GLN A 91 -16.454 5.775 -9.134 1.00 1.00 C ATOM 1425 CD GLN A 91 -17.390 5.828 -10.339 1.00 1.00 C ATOM 1426 OE1 GLN A 91 -18.567 6.163 -10.204 1.00 1.00 O ATOM 1427 NE2 GLN A 91 -16.923 5.501 -11.529 1.00 1.00 N ATOM 1428 OXT GLN A 91 -14.166 5.942 -11.795 1.00 1.00 O ATOM 0 H GLN A 91 -13.577 8.425 -8.417 1.00 1.00 H new ATOM 0 HA GLN A 91 -13.851 5.758 -9.392 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -15.411 7.198 -7.884 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -16.004 7.875 -9.387 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -15.833 4.884 -9.219 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -17.057 5.658 -8.234 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -15.947 5.224 -11.635 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -17.538 5.525 -12.342 1.00 1.00 H new TER 1437 GLN A 91