USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 599 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 24 SER OG : rot -56:sc= 0.892 USER MOD Set 1.2: A 68 MET CE :methyl -134:sc= -2.83 (180deg=-7.79!) USER MOD Set 2.1: A 28 LYS NZ :NH3+ 148:sc= 0 (180deg=0) USER MOD Set 2.2: A 64 HIS : no HE2:sc= -2.65 X(o=-2.6,f=-2.9) USER MOD Set 3.1: A 16 MET CE :methyl -134:sc= -1.79 (180deg=-6.44!) USER MOD Set 3.2: A 20 SER OG : rot 180:sc= 0.0147 USER MOD Set 3.3: A 21 CYS SG : rot -151:sc= 0.026 USER MOD Single : A 1 ALA N :NH3+ -167:sc= -0.048 (180deg=-0.28) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 10 LYS NZ :NH3+ 148:sc= 0.095 (180deg=-0.355) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -170:sc=-0.00193 (180deg=-0.16) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.00663 X(o=0.0066,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 126:sc= -1.56 USER MOD Single : A 52 GLN : amide:sc= -0.0988 X(o=-0.099,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0.43) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -46:sc= 0.0916 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.135 3.673 -3.464 1.00 61.42 N ATOM 2 CA ALA A 1 2.839 2.270 -3.729 1.00 2.11 C ATOM 3 C ALA A 1 3.083 1.414 -2.491 1.00 1.45 C ATOM 4 O ALA A 1 2.475 0.358 -2.324 1.00 52.12 O ATOM 5 CB ALA A 1 3.676 1.765 -4.895 1.00 1.21 C ATOM 0 H1 ALA A 1 2.758 4.259 -4.236 1.00 61.42 H new ATOM 0 H2 ALA A 1 2.694 3.957 -2.566 1.00 61.42 H new ATOM 0 H3 ALA A 1 4.165 3.805 -3.401 1.00 61.42 H new ATOM 0 HA ALA A 1 1.784 2.190 -3.992 1.00 2.11 H new ATOM 0 HB1 ALA A 1 3.445 0.716 -5.082 1.00 1.21 H new ATOM 0 HB2 ALA A 1 3.450 2.351 -5.786 1.00 1.21 H new ATOM 0 HB3 ALA A 1 4.734 1.866 -4.654 1.00 1.21 H new ATOM 11 N GLY A 2 3.978 1.878 -1.623 1.00 65.34 N ATOM 12 CA GLY A 2 4.287 1.141 -0.412 1.00 4.55 C ATOM 13 C GLY A 2 5.758 1.210 -0.050 1.00 50.43 C ATOM 14 O GLY A 2 6.111 1.394 1.115 1.00 34.43 O ATOM 0 H GLY A 2 4.494 2.750 -1.737 1.00 65.34 H new ATOM 0 HA2 GLY A 2 3.694 1.538 0.412 1.00 4.55 H new ATOM 0 HA3 GLY A 2 3.996 0.098 -0.541 1.00 4.55 H new ATOM 18 N HIS A 3 6.619 1.061 -1.052 1.00 4.53 N ATOM 19 CA HIS A 3 8.061 1.107 -0.833 1.00 72.33 C ATOM 20 C HIS A 3 8.676 2.325 -1.515 1.00 53.13 C ATOM 21 O HIS A 3 8.107 2.873 -2.459 1.00 60.44 O ATOM 22 CB HIS A 3 8.718 -0.171 -1.357 1.00 14.12 C ATOM 23 CG HIS A 3 8.143 -1.423 -0.770 1.00 25.44 C ATOM 24 ND1 HIS A 3 7.862 -2.546 -1.520 1.00 13.25 N ATOM 25 CD2 HIS A 3 7.800 -1.728 0.504 1.00 52.42 C ATOM 26 CE1 HIS A 3 7.368 -3.485 -0.733 1.00 71.42 C ATOM 27 NE2 HIS A 3 7.320 -3.014 0.500 1.00 64.41 N ATOM 0 H HIS A 3 6.344 0.908 -2.022 1.00 4.53 H new ATOM 0 HA HIS A 3 8.238 1.185 0.240 1.00 72.33 H new ATOM 0 HB2 HIS A 3 8.612 -0.206 -2.441 1.00 14.12 H new ATOM 0 HB3 HIS A 3 9.786 -0.136 -1.142 1.00 14.12 H new ATOM 0 HD2 HIS A 3 7.888 -1.080 1.363 1.00 52.42 H new ATOM 0 HE1 HIS A 3 7.056 -4.471 -1.045 1.00 71.42 H new ATOM 0 HE2 HIS A 3 6.981 -3.523 1.316 1.00 64.41 H new ATOM 35 N MET A 4 9.840 2.744 -1.030 1.00 13.30 N ATOM 36 CA MET A 4 10.531 3.898 -1.594 1.00 24.14 C ATOM 37 C MET A 4 9.542 4.999 -1.961 1.00 73.12 C ATOM 38 O MET A 4 9.662 5.628 -3.012 1.00 64.21 O ATOM 39 CB MET A 4 11.334 3.485 -2.828 1.00 64.35 C ATOM 40 CG MET A 4 10.472 2.971 -3.970 1.00 42.12 C ATOM 41 SD MET A 4 11.336 2.984 -5.553 1.00 54.50 S ATOM 42 CE MET A 4 10.484 4.318 -6.392 1.00 53.01 C ATOM 0 H MET A 4 10.324 2.302 -0.248 1.00 13.30 H new ATOM 0 HA MET A 4 11.214 4.286 -0.838 1.00 24.14 H new ATOM 0 HB2 MET A 4 11.913 4.340 -3.177 1.00 64.35 H new ATOM 0 HB3 MET A 4 12.047 2.711 -2.545 1.00 64.35 H new ATOM 0 HG2 MET A 4 10.147 1.955 -3.746 1.00 42.12 H new ATOM 0 HG3 MET A 4 9.573 3.583 -4.046 1.00 42.12 H new ATOM 0 HE1 MET A 4 10.906 4.450 -7.388 1.00 53.01 H new ATOM 0 HE2 MET A 4 9.424 4.077 -6.476 1.00 53.01 H new ATOM 0 HE3 MET A 4 10.603 5.240 -5.823 1.00 53.01 H new ATOM 52 N GLN A 5 8.565 5.225 -1.089 1.00 55.52 N ATOM 53 CA GLN A 5 7.554 6.250 -1.324 1.00 41.21 C ATOM 54 C GLN A 5 7.992 7.590 -0.742 1.00 43.25 C ATOM 55 O GLN A 5 7.443 8.636 -1.088 1.00 23.14 O ATOM 56 CB GLN A 5 6.217 5.828 -0.712 1.00 63.23 C ATOM 57 CG GLN A 5 5.064 6.750 -1.074 1.00 4.55 C ATOM 58 CD GLN A 5 3.717 6.059 -0.997 1.00 25.10 C ATOM 59 OE1 GLN A 5 3.581 5.009 -0.369 1.00 33.14 O ATOM 60 NE2 GLN A 5 2.713 6.646 -1.638 1.00 23.51 N ATOM 0 H GLN A 5 8.452 4.713 -0.214 1.00 55.52 H new ATOM 0 HA GLN A 5 7.433 6.364 -2.401 1.00 41.21 H new ATOM 0 HB2 GLN A 5 5.979 4.816 -1.041 1.00 63.23 H new ATOM 0 HB3 GLN A 5 6.318 5.795 0.373 1.00 63.23 H new ATOM 0 HG2 GLN A 5 5.066 7.609 -0.403 1.00 4.55 H new ATOM 0 HG3 GLN A 5 5.214 7.134 -2.083 1.00 4.55 H new ATOM 0 HE21 GLN A 5 2.872 7.516 -2.146 1.00 23.51 H new ATOM 0 HE22 GLN A 5 1.783 6.227 -1.622 1.00 23.51 H new ATOM 69 N GLU A 6 8.984 7.550 0.142 1.00 41.11 N ATOM 70 CA GLU A 6 9.494 8.762 0.772 1.00 43.11 C ATOM 71 C GLU A 6 9.982 9.757 -0.277 1.00 72.15 C ATOM 72 O GLU A 6 10.434 9.368 -1.354 1.00 11.11 O ATOM 73 CB GLU A 6 10.633 8.422 1.736 1.00 71.11 C ATOM 74 CG GLU A 6 11.757 7.626 1.094 1.00 74.12 C ATOM 75 CD GLU A 6 12.715 8.499 0.308 1.00 51.34 C ATOM 76 OE1 GLU A 6 12.675 9.735 0.485 1.00 32.55 O ATOM 77 OE2 GLU A 6 13.505 7.947 -0.486 1.00 25.42 O ATOM 0 H GLU A 6 9.450 6.692 0.438 1.00 41.11 H new ATOM 0 HA GLU A 6 8.678 9.220 1.331 1.00 43.11 H new ATOM 0 HB2 GLU A 6 11.041 9.347 2.144 1.00 71.11 H new ATOM 0 HB3 GLU A 6 10.230 7.854 2.575 1.00 71.11 H new ATOM 0 HG2 GLU A 6 12.309 7.094 1.869 1.00 74.12 H new ATOM 0 HG3 GLU A 6 11.331 6.873 0.431 1.00 74.12 H new ATOM 84 N ALA A 7 9.886 11.043 0.045 1.00 74.32 N ATOM 85 CA ALA A 7 10.318 12.094 -0.868 1.00 74.52 C ATOM 86 C ALA A 7 11.286 13.052 -0.184 1.00 23.35 C ATOM 87 O ALA A 7 11.307 13.159 1.043 1.00 73.13 O ATOM 88 CB ALA A 7 9.114 12.852 -1.407 1.00 11.30 C ATOM 0 H ALA A 7 9.513 11.382 0.932 1.00 74.32 H new ATOM 0 HA ALA A 7 10.841 11.625 -1.701 1.00 74.52 H new ATOM 0 HB1 ALA A 7 9.451 13.634 -2.087 1.00 11.30 H new ATOM 0 HB2 ALA A 7 8.460 12.163 -1.941 1.00 11.30 H new ATOM 0 HB3 ALA A 7 8.567 13.303 -0.579 1.00 11.30 H new ATOM 94 N VAL A 8 12.089 13.747 -0.984 1.00 31.54 N ATOM 95 CA VAL A 8 13.060 14.696 -0.454 1.00 42.54 C ATOM 96 C VAL A 8 12.842 16.088 -1.038 1.00 23.10 C ATOM 97 O VAL A 8 12.361 16.233 -2.162 1.00 13.34 O ATOM 98 CB VAL A 8 14.503 14.248 -0.751 1.00 64.41 C ATOM 99 CG1 VAL A 8 15.472 14.875 0.239 1.00 4.42 C ATOM 100 CG2 VAL A 8 14.606 12.730 -0.721 1.00 12.12 C ATOM 0 H VAL A 8 12.086 13.670 -2.001 1.00 31.54 H new ATOM 0 HA VAL A 8 12.913 14.730 0.626 1.00 42.54 H new ATOM 0 HB VAL A 8 14.772 14.589 -1.751 1.00 64.41 H new ATOM 0 HG11 VAL A 8 16.486 14.547 0.013 1.00 4.42 H new ATOM 0 HG12 VAL A 8 15.417 15.961 0.164 1.00 4.42 H new ATOM 0 HG13 VAL A 8 15.208 14.567 1.251 1.00 4.42 H new ATOM 0 HG21 VAL A 8 15.632 12.431 -0.933 1.00 12.12 H new ATOM 0 HG22 VAL A 8 14.318 12.365 0.265 1.00 12.12 H new ATOM 0 HG23 VAL A 8 13.942 12.305 -1.473 1.00 12.12 H new ATOM 110 N VAL A 9 13.201 17.110 -0.267 1.00 73.20 N ATOM 111 CA VAL A 9 13.046 18.491 -0.708 1.00 21.02 C ATOM 112 C VAL A 9 14.376 19.235 -0.662 1.00 21.41 C ATOM 113 O VAL A 9 14.413 20.465 -0.659 1.00 54.32 O ATOM 114 CB VAL A 9 12.019 19.245 0.158 1.00 71.32 C ATOM 115 CG1 VAL A 9 10.717 18.463 0.243 1.00 14.51 C ATOM 116 CG2 VAL A 9 12.584 19.509 1.545 1.00 33.44 C ATOM 0 H VAL A 9 13.601 17.007 0.666 1.00 73.20 H new ATOM 0 HA VAL A 9 12.687 18.456 -1.737 1.00 21.02 H new ATOM 0 HB VAL A 9 11.808 20.206 -0.312 1.00 71.32 H new ATOM 0 HG11 VAL A 9 10.003 19.010 0.859 1.00 14.51 H new ATOM 0 HG12 VAL A 9 10.306 18.330 -0.758 1.00 14.51 H new ATOM 0 HG13 VAL A 9 10.907 17.487 0.689 1.00 14.51 H new ATOM 0 HG21 VAL A 9 11.845 20.042 2.143 1.00 33.44 H new ATOM 0 HG22 VAL A 9 12.825 18.561 2.026 1.00 33.44 H new ATOM 0 HG23 VAL A 9 13.487 20.113 1.461 1.00 33.44 H new ATOM 126 N LYS A 10 15.469 18.480 -0.626 1.00 71.54 N ATOM 127 CA LYS A 10 16.803 19.066 -0.582 1.00 63.55 C ATOM 128 C LYS A 10 16.813 20.446 -1.232 1.00 21.32 C ATOM 129 O LYS A 10 16.287 20.630 -2.330 1.00 42.04 O ATOM 130 CB LYS A 10 17.808 18.151 -1.288 1.00 14.32 C ATOM 131 CG LYS A 10 17.835 18.327 -2.796 1.00 41.12 C ATOM 132 CD LYS A 10 16.513 17.925 -3.429 1.00 3.03 C ATOM 133 CE LYS A 10 16.181 16.468 -3.146 1.00 73.15 C ATOM 134 NZ LYS A 10 14.984 16.014 -3.908 1.00 43.44 N ATOM 0 H LYS A 10 15.457 17.460 -0.626 1.00 71.54 H new ATOM 0 HA LYS A 10 17.091 19.174 0.464 1.00 63.55 H new ATOM 0 HB2 LYS A 10 18.804 18.344 -0.890 1.00 14.32 H new ATOM 0 HB3 LYS A 10 17.568 17.114 -1.056 1.00 14.32 H new ATOM 0 HG2 LYS A 10 18.054 19.367 -3.038 1.00 41.12 H new ATOM 0 HG3 LYS A 10 18.640 17.725 -3.219 1.00 41.12 H new ATOM 0 HD2 LYS A 10 15.716 18.562 -3.046 1.00 3.03 H new ATOM 0 HD3 LYS A 10 16.560 18.086 -4.506 1.00 3.03 H new ATOM 0 HE2 LYS A 10 17.036 15.844 -3.406 1.00 73.15 H new ATOM 0 HE3 LYS A 10 16.003 16.337 -2.079 1.00 73.15 H new ATOM 0 HZ1 LYS A 10 15.083 15.006 -4.142 1.00 43.44 H new ATOM 0 HZ2 LYS A 10 14.131 16.153 -3.329 1.00 43.44 H new ATOM 0 HZ3 LYS A 10 14.901 16.566 -4.785 1.00 43.44 H new ATOM 148 N LEU A 11 17.415 21.412 -0.547 1.00 50.14 N ATOM 149 CA LEU A 11 17.495 22.776 -1.059 1.00 13.25 C ATOM 150 C LEU A 11 18.940 23.264 -1.086 1.00 33.23 C ATOM 151 O LEU A 11 19.864 22.513 -0.773 1.00 44.54 O ATOM 152 CB LEU A 11 16.644 23.714 -0.200 1.00 60.02 C ATOM 153 CG LEU A 11 15.259 23.197 0.188 1.00 34.53 C ATOM 154 CD1 LEU A 11 14.718 23.965 1.384 1.00 54.22 C ATOM 155 CD2 LEU A 11 14.302 23.298 -0.991 1.00 33.54 C ATOM 0 H LEU A 11 17.855 21.277 0.363 1.00 50.14 H new ATOM 0 HA LEU A 11 17.111 22.778 -2.079 1.00 13.25 H new ATOM 0 HB2 LEU A 11 17.195 23.938 0.713 1.00 60.02 H new ATOM 0 HB3 LEU A 11 16.521 24.655 -0.737 1.00 60.02 H new ATOM 0 HG LEU A 11 15.349 22.147 0.467 1.00 34.53 H new ATOM 0 HD11 LEU A 11 13.731 23.583 1.646 1.00 54.22 H new ATOM 0 HD12 LEU A 11 15.392 23.840 2.232 1.00 54.22 H new ATOM 0 HD13 LEU A 11 14.643 25.023 1.133 1.00 54.22 H new ATOM 0 HD21 LEU A 11 13.321 22.925 -0.696 1.00 33.54 H new ATOM 0 HD22 LEU A 11 14.216 24.339 -1.302 1.00 33.54 H new ATOM 0 HD23 LEU A 11 14.682 22.702 -1.820 1.00 33.54 H new ATOM 167 N ARG A 12 19.126 24.526 -1.459 1.00 61.41 N ATOM 168 CA ARG A 12 20.458 25.114 -1.526 1.00 24.21 C ATOM 169 C ARG A 12 20.707 26.033 -0.334 1.00 1.32 C ATOM 170 O ARG A 12 19.994 27.017 -0.136 1.00 0.14 O ATOM 171 CB ARG A 12 20.630 25.895 -2.830 1.00 74.42 C ATOM 172 CG ARG A 12 22.073 25.992 -3.297 1.00 11.45 C ATOM 173 CD ARG A 12 22.224 26.989 -4.435 1.00 61.23 C ATOM 174 NE ARG A 12 23.625 27.300 -4.708 1.00 13.44 N ATOM 175 CZ ARG A 12 24.380 28.046 -3.909 1.00 42.43 C ATOM 176 NH1 ARG A 12 23.873 28.554 -2.795 1.00 15.13 N ATOM 177 NH2 ARG A 12 25.647 28.286 -4.225 1.00 74.52 N ATOM 0 H ARG A 12 18.371 25.161 -1.719 1.00 61.41 H new ATOM 0 HA ARG A 12 21.187 24.304 -1.497 1.00 24.21 H new ATOM 0 HB2 ARG A 12 20.036 25.418 -3.610 1.00 74.42 H new ATOM 0 HB3 ARG A 12 20.232 26.901 -2.696 1.00 74.42 H new ATOM 0 HG2 ARG A 12 22.707 26.292 -2.463 1.00 11.45 H new ATOM 0 HG3 ARG A 12 22.418 25.011 -3.623 1.00 11.45 H new ATOM 0 HD2 ARG A 12 21.760 26.585 -5.335 1.00 61.23 H new ATOM 0 HD3 ARG A 12 21.691 27.907 -4.186 1.00 61.23 H new ATOM 0 HE ARG A 12 24.046 26.924 -5.558 1.00 13.44 H new ATOM 0 HH11 ARG A 12 22.900 28.373 -2.548 1.00 15.13 H new ATOM 0 HH12 ARG A 12 24.456 29.126 -2.184 1.00 15.13 H new ATOM 0 HH21 ARG A 12 26.041 27.898 -5.082 1.00 74.52 H new ATOM 0 HH22 ARG A 12 26.226 28.859 -3.611 1.00 74.52 H new ATOM 191 N VAL A 13 21.723 25.705 0.458 1.00 3.50 N ATOM 192 CA VAL A 13 22.067 26.502 1.630 1.00 32.52 C ATOM 193 C VAL A 13 23.175 27.499 1.312 1.00 72.03 C ATOM 194 O VAL A 13 24.174 27.151 0.684 1.00 42.23 O ATOM 195 CB VAL A 13 22.516 25.609 2.803 1.00 52.23 C ATOM 196 CG1 VAL A 13 23.020 26.460 3.959 1.00 74.23 C ATOM 197 CG2 VAL A 13 21.377 24.706 3.251 1.00 14.31 C ATOM 0 H VAL A 13 22.322 24.893 0.309 1.00 3.50 H new ATOM 0 HA VAL A 13 21.167 27.045 1.919 1.00 32.52 H new ATOM 0 HB VAL A 13 23.337 24.978 2.463 1.00 52.23 H new ATOM 0 HG11 VAL A 13 23.333 25.812 4.778 1.00 74.23 H new ATOM 0 HG12 VAL A 13 23.867 27.060 3.627 1.00 74.23 H new ATOM 0 HG13 VAL A 13 22.222 27.118 4.301 1.00 74.23 H new ATOM 0 HG21 VAL A 13 21.712 24.082 4.080 1.00 14.31 H new ATOM 0 HG22 VAL A 13 20.534 25.317 3.574 1.00 14.31 H new ATOM 0 HG23 VAL A 13 21.068 24.071 2.421 1.00 14.31 H new ATOM 207 N GLU A 14 22.990 28.740 1.750 1.00 40.41 N ATOM 208 CA GLU A 14 23.975 29.789 1.511 1.00 71.24 C ATOM 209 C GLU A 14 24.766 30.092 2.780 1.00 54.50 C ATOM 210 O GLU A 14 25.979 30.290 2.736 1.00 21.23 O ATOM 211 CB GLU A 14 23.287 31.060 1.008 1.00 5.13 C ATOM 212 CG GLU A 14 24.252 32.195 0.708 1.00 13.52 C ATOM 213 CD GLU A 14 23.557 33.413 0.130 1.00 43.04 C ATOM 214 OE1 GLU A 14 23.083 34.257 0.918 1.00 21.03 O ATOM 215 OE2 GLU A 14 23.489 33.522 -1.113 1.00 33.53 O ATOM 0 H GLU A 14 22.168 29.044 2.272 1.00 40.41 H new ATOM 0 HA GLU A 14 24.668 29.434 0.748 1.00 71.24 H new ATOM 0 HB2 GLU A 14 22.723 30.825 0.105 1.00 5.13 H new ATOM 0 HB3 GLU A 14 22.567 31.394 1.755 1.00 5.13 H new ATOM 0 HG2 GLU A 14 24.771 32.478 1.624 1.00 13.52 H new ATOM 0 HG3 GLU A 14 25.010 31.847 0.007 1.00 13.52 H new ATOM 222 N GLY A 15 24.067 30.129 3.911 1.00 61.31 N ATOM 223 CA GLY A 15 24.719 30.410 5.177 1.00 60.43 C ATOM 224 C GLY A 15 25.885 29.479 5.447 1.00 12.34 C ATOM 225 O GLY A 15 27.003 29.930 5.694 1.00 12.43 O ATOM 0 H GLY A 15 23.061 29.969 3.973 1.00 61.31 H new ATOM 0 HA2 GLY A 15 25.073 31.441 5.179 1.00 60.43 H new ATOM 0 HA3 GLY A 15 23.992 30.321 5.984 1.00 60.43 H new ATOM 229 N MET A 16 25.623 28.177 5.403 1.00 43.12 N ATOM 230 CA MET A 16 26.660 27.181 5.646 1.00 4.00 C ATOM 231 C MET A 16 27.913 27.490 4.832 1.00 74.04 C ATOM 232 O MET A 16 27.827 27.940 3.688 1.00 23.32 O ATOM 233 CB MET A 16 26.145 25.783 5.301 1.00 63.55 C ATOM 234 CG MET A 16 27.093 24.667 5.711 1.00 11.23 C ATOM 235 SD MET A 16 26.848 24.141 7.418 1.00 34.23 S ATOM 236 CE MET A 16 28.108 25.101 8.253 1.00 12.33 C ATOM 0 H MET A 16 24.702 27.787 5.202 1.00 43.12 H new ATOM 0 HA MET A 16 26.919 27.214 6.704 1.00 4.00 H new ATOM 0 HB2 MET A 16 25.183 25.629 5.789 1.00 63.55 H new ATOM 0 HB3 MET A 16 25.971 25.724 4.227 1.00 63.55 H new ATOM 0 HG2 MET A 16 26.952 23.813 5.048 1.00 11.23 H new ATOM 0 HG3 MET A 16 28.122 25.004 5.583 1.00 11.23 H new ATOM 0 HE1 MET A 16 28.653 24.461 8.947 1.00 12.33 H new ATOM 0 HE2 MET A 16 28.800 25.511 7.518 1.00 12.33 H new ATOM 0 HE3 MET A 16 27.639 25.916 8.804 1.00 12.33 H new ATOM 246 N THR A 17 29.076 27.246 5.427 1.00 11.33 N ATOM 247 CA THR A 17 30.345 27.500 4.758 1.00 63.12 C ATOM 248 C THR A 17 31.382 26.445 5.126 1.00 33.45 C ATOM 249 O THR A 17 32.027 25.863 4.253 1.00 10.13 O ATOM 250 CB THR A 17 30.899 28.893 5.113 1.00 61.25 C ATOM 251 OG1 THR A 17 30.578 29.216 6.470 1.00 5.41 O ATOM 252 CG2 THR A 17 30.328 29.954 4.184 1.00 3.54 C ATOM 0 H THR A 17 29.165 26.872 6.372 1.00 11.33 H new ATOM 0 HA THR A 17 30.151 27.457 3.686 1.00 63.12 H new ATOM 0 HB THR A 17 31.982 28.872 4.992 1.00 61.25 H new ATOM 0 HG1 THR A 17 30.935 30.102 6.689 1.00 5.41 H new ATOM 0 HG21 THR A 17 30.733 30.929 4.453 1.00 3.54 H new ATOM 0 HG22 THR A 17 30.599 29.720 3.154 1.00 3.54 H new ATOM 0 HG23 THR A 17 29.242 29.974 4.278 1.00 3.54 H new ATOM 260 N CYS A 18 31.536 26.201 6.423 1.00 0.52 N ATOM 261 CA CYS A 18 32.495 25.215 6.907 1.00 22.13 C ATOM 262 C CYS A 18 31.780 23.983 7.453 1.00 50.40 C ATOM 263 O CYS A 18 30.573 23.825 7.274 1.00 52.34 O ATOM 264 CB CYS A 18 33.384 25.826 7.992 1.00 55.22 C ATOM 265 SG CYS A 18 34.160 27.389 7.517 1.00 75.44 S ATOM 0 H CYS A 18 31.009 26.673 7.158 1.00 0.52 H new ATOM 0 HA CYS A 18 33.118 24.909 6.067 1.00 22.13 H new ATOM 0 HB2 CYS A 18 32.786 25.988 8.889 1.00 55.22 H new ATOM 0 HB3 CYS A 18 34.163 25.110 8.254 1.00 55.22 H new ATOM 0 HG CYS A 18 34.889 27.828 8.500 1.00 75.44 H new ATOM 271 N GLN A 19 32.534 23.114 8.118 1.00 72.21 N ATOM 272 CA GLN A 19 31.971 21.895 8.687 1.00 24.14 C ATOM 273 C GLN A 19 31.787 22.033 10.195 1.00 52.31 C ATOM 274 O GLN A 19 32.643 21.617 10.976 1.00 53.42 O ATOM 275 CB GLN A 19 32.875 20.699 8.380 1.00 54.32 C ATOM 276 CG GLN A 19 34.339 20.944 8.704 1.00 4.01 C ATOM 277 CD GLN A 19 35.034 19.707 9.238 1.00 34.42 C ATOM 278 OE1 GLN A 19 35.361 18.790 8.484 1.00 73.11 O ATOM 279 NE2 GLN A 19 35.263 19.674 10.546 1.00 74.12 N ATOM 0 H GLN A 19 33.535 23.231 8.276 1.00 72.21 H new ATOM 0 HA GLN A 19 30.994 21.730 8.233 1.00 24.14 H new ATOM 0 HB2 GLN A 19 32.526 19.836 8.946 1.00 54.32 H new ATOM 0 HB3 GLN A 19 32.783 20.446 7.324 1.00 54.32 H new ATOM 0 HG2 GLN A 19 34.854 21.286 7.806 1.00 4.01 H new ATOM 0 HG3 GLN A 19 34.415 21.745 9.439 1.00 4.01 H new ATOM 0 HE21 GLN A 19 34.975 20.456 11.134 1.00 74.12 H new ATOM 0 HE22 GLN A 19 35.727 18.867 10.962 1.00 74.12 H new ATOM 288 N SER A 20 30.664 22.621 10.597 1.00 23.43 N ATOM 289 CA SER A 20 30.369 22.818 12.012 1.00 62.34 C ATOM 290 C SER A 20 28.869 22.720 12.272 1.00 1.43 C ATOM 291 O SER A 20 28.410 21.839 13.000 1.00 4.12 O ATOM 292 CB SER A 20 30.892 24.177 12.479 1.00 44.32 C ATOM 293 OG SER A 20 30.615 25.186 11.523 1.00 3.21 O ATOM 0 H SER A 20 29.944 22.969 9.963 1.00 23.43 H new ATOM 0 HA SER A 20 30.870 22.031 12.576 1.00 62.34 H new ATOM 0 HB2 SER A 20 30.433 24.439 13.432 1.00 44.32 H new ATOM 0 HB3 SER A 20 31.967 24.118 12.649 1.00 44.32 H new ATOM 0 HG SER A 20 30.958 26.045 11.846 1.00 3.21 H new ATOM 299 N CYS A 21 28.111 23.632 11.673 1.00 32.41 N ATOM 300 CA CYS A 21 26.662 23.650 11.840 1.00 11.32 C ATOM 301 C CYS A 21 26.037 22.364 11.311 1.00 71.33 C ATOM 302 O CYS A 21 24.930 21.992 11.701 1.00 52.53 O ATOM 303 CB CYS A 21 26.060 24.858 11.120 1.00 21.21 C ATOM 304 SG CYS A 21 26.801 26.440 11.587 1.00 71.04 S ATOM 0 H CYS A 21 28.475 24.368 11.068 1.00 32.41 H new ATOM 0 HA CYS A 21 26.445 23.726 12.905 1.00 11.32 H new ATOM 0 HB2 CYS A 21 26.172 24.720 10.045 1.00 21.21 H new ATOM 0 HB3 CYS A 21 24.990 24.895 11.327 1.00 21.21 H new ATOM 0 HG CYS A 21 25.921 27.387 11.455 1.00 71.04 H new ATOM 310 N VAL A 22 26.753 21.687 10.418 1.00 3.53 N ATOM 311 CA VAL A 22 26.269 20.442 9.834 1.00 1.42 C ATOM 312 C VAL A 22 25.864 19.449 10.917 1.00 75.31 C ATOM 313 O VAL A 22 24.808 18.820 10.833 1.00 3.44 O ATOM 314 CB VAL A 22 27.335 19.794 8.931 1.00 3.21 C ATOM 315 CG1 VAL A 22 26.847 18.453 8.407 1.00 71.53 C ATOM 316 CG2 VAL A 22 27.698 20.725 7.783 1.00 31.55 C ATOM 0 H VAL A 22 27.671 21.981 10.083 1.00 3.53 H new ATOM 0 HA VAL A 22 25.397 20.693 9.230 1.00 1.42 H new ATOM 0 HB VAL A 22 28.232 19.620 9.525 1.00 3.21 H new ATOM 0 HG11 VAL A 22 27.613 18.010 7.771 1.00 71.53 H new ATOM 0 HG12 VAL A 22 26.642 17.787 9.246 1.00 71.53 H new ATOM 0 HG13 VAL A 22 25.935 18.599 7.828 1.00 71.53 H new ATOM 0 HG21 VAL A 22 28.452 20.251 7.155 1.00 31.55 H new ATOM 0 HG22 VAL A 22 26.809 20.933 7.188 1.00 31.55 H new ATOM 0 HG23 VAL A 22 28.093 21.659 8.183 1.00 31.55 H new ATOM 326 N SER A 23 26.709 19.312 11.933 1.00 32.15 N ATOM 327 CA SER A 23 26.440 18.392 13.032 1.00 22.33 C ATOM 328 C SER A 23 25.196 18.818 13.806 1.00 23.11 C ATOM 329 O SER A 23 24.410 17.981 14.249 1.00 71.33 O ATOM 330 CB SER A 23 27.643 18.325 13.975 1.00 22.12 C ATOM 331 OG SER A 23 28.318 17.085 13.853 1.00 23.14 O ATOM 0 H SER A 23 27.586 19.826 12.018 1.00 32.15 H new ATOM 0 HA SER A 23 26.263 17.403 12.610 1.00 22.33 H new ATOM 0 HB2 SER A 23 28.331 19.141 13.751 1.00 22.12 H new ATOM 0 HB3 SER A 23 27.311 18.462 15.004 1.00 22.12 H new ATOM 0 HG SER A 23 29.084 17.068 14.464 1.00 23.14 H new ATOM 337 N SER A 24 25.025 20.126 13.965 1.00 5.51 N ATOM 338 CA SER A 24 23.880 20.665 14.689 1.00 52.55 C ATOM 339 C SER A 24 22.586 20.416 13.920 1.00 53.11 C ATOM 340 O SER A 24 21.564 20.055 14.504 1.00 31.33 O ATOM 341 CB SER A 24 24.062 22.165 14.930 1.00 10.11 C ATOM 342 OG SER A 24 23.636 22.918 13.808 1.00 72.13 O ATOM 0 H SER A 24 25.665 20.832 13.602 1.00 5.51 H new ATOM 0 HA SER A 24 23.816 20.155 15.650 1.00 52.55 H new ATOM 0 HB2 SER A 24 23.495 22.466 15.811 1.00 10.11 H new ATOM 0 HB3 SER A 24 25.110 22.378 15.138 1.00 10.11 H new ATOM 0 HG SER A 24 24.123 22.621 13.011 1.00 72.13 H new ATOM 348 N ILE A 25 22.638 20.612 12.607 1.00 71.12 N ATOM 349 CA ILE A 25 21.471 20.408 11.757 1.00 21.55 C ATOM 350 C ILE A 25 21.061 18.939 11.731 1.00 51.11 C ATOM 351 O ILE A 25 19.879 18.617 11.620 1.00 55.22 O ATOM 352 CB ILE A 25 21.734 20.882 10.316 1.00 61.41 C ATOM 353 CG1 ILE A 25 22.186 22.343 10.311 1.00 10.40 C ATOM 354 CG2 ILE A 25 20.486 20.705 9.464 1.00 30.51 C ATOM 355 CD1 ILE A 25 23.327 22.620 9.357 1.00 53.01 C ATOM 0 H ILE A 25 23.476 20.912 12.108 1.00 71.12 H new ATOM 0 HA ILE A 25 20.662 21.001 12.183 1.00 21.55 H new ATOM 0 HB ILE A 25 22.531 20.273 9.889 1.00 61.41 H new ATOM 0 HG12 ILE A 25 21.339 22.976 10.045 1.00 10.40 H new ATOM 0 HG13 ILE A 25 22.490 22.624 11.319 1.00 10.40 H new ATOM 0 HG21 ILE A 25 20.688 21.045 8.448 1.00 30.51 H new ATOM 0 HG22 ILE A 25 20.204 19.652 9.446 1.00 30.51 H new ATOM 0 HG23 ILE A 25 19.670 21.291 9.887 1.00 30.51 H new ATOM 0 HD11 ILE A 25 23.595 23.675 9.407 1.00 53.01 H new ATOM 0 HD12 ILE A 25 24.189 22.014 9.635 1.00 53.01 H new ATOM 0 HD13 ILE A 25 23.021 22.371 8.341 1.00 53.01 H new ATOM 367 N GLU A 26 22.046 18.053 11.835 1.00 24.03 N ATOM 368 CA GLU A 26 21.787 16.618 11.824 1.00 10.12 C ATOM 369 C GLU A 26 20.935 16.210 13.022 1.00 14.04 C ATOM 370 O GLU A 26 20.047 15.366 12.908 1.00 20.10 O ATOM 371 CB GLU A 26 23.104 15.839 11.832 1.00 11.13 C ATOM 372 CG GLU A 26 23.260 14.895 10.652 1.00 33.32 C ATOM 373 CD GLU A 26 24.553 14.105 10.704 1.00 43.13 C ATOM 374 OE1 GLU A 26 25.612 14.715 10.963 1.00 55.24 O ATOM 375 OE2 GLU A 26 24.507 12.876 10.485 1.00 14.31 O ATOM 0 H GLU A 26 23.030 18.303 11.928 1.00 24.03 H new ATOM 0 HA GLU A 26 21.239 16.381 10.912 1.00 10.12 H new ATOM 0 HB2 GLU A 26 23.934 16.545 11.834 1.00 11.13 H new ATOM 0 HB3 GLU A 26 23.172 15.266 12.757 1.00 11.13 H new ATOM 0 HG2 GLU A 26 22.417 14.204 10.630 1.00 33.32 H new ATOM 0 HG3 GLU A 26 23.226 15.469 9.726 1.00 33.32 H new ATOM 382 N GLY A 27 21.212 16.816 14.173 1.00 44.21 N ATOM 383 CA GLY A 27 20.464 16.503 15.376 1.00 32.10 C ATOM 384 C GLY A 27 19.004 16.898 15.270 1.00 61.31 C ATOM 385 O GLY A 27 18.164 16.409 16.026 1.00 41.01 O ATOM 0 H GLY A 27 21.942 17.518 14.293 1.00 44.21 H new ATOM 0 HA2 GLY A 27 20.534 15.434 15.576 1.00 32.10 H new ATOM 0 HA3 GLY A 27 20.915 17.017 16.225 1.00 32.10 H new ATOM 389 N LYS A 28 18.700 17.786 14.330 1.00 0.30 N ATOM 390 CA LYS A 28 17.332 18.248 14.127 1.00 70.02 C ATOM 391 C LYS A 28 16.422 17.092 13.723 1.00 10.24 C ATOM 392 O LYS A 28 15.299 16.973 14.213 1.00 54.43 O ATOM 393 CB LYS A 28 17.294 19.339 13.055 1.00 41.25 C ATOM 394 CG LYS A 28 16.458 20.546 13.444 1.00 73.21 C ATOM 395 CD LYS A 28 17.071 21.295 14.615 1.00 30.21 C ATOM 396 CE LYS A 28 16.268 21.089 15.890 1.00 14.52 C ATOM 397 NZ LYS A 28 15.153 22.070 16.007 1.00 31.14 N ATOM 0 H LYS A 28 19.383 18.201 13.696 1.00 0.30 H new ATOM 0 HA LYS A 28 16.971 18.660 15.069 1.00 70.02 H new ATOM 0 HB2 LYS A 28 18.312 19.666 12.845 1.00 41.25 H new ATOM 0 HB3 LYS A 28 16.898 18.916 12.132 1.00 41.25 H new ATOM 0 HG2 LYS A 28 16.366 21.217 12.590 1.00 73.21 H new ATOM 0 HG3 LYS A 28 15.450 20.223 13.705 1.00 73.21 H new ATOM 0 HD2 LYS A 28 18.095 20.955 14.770 1.00 30.21 H new ATOM 0 HD3 LYS A 28 17.120 22.359 14.382 1.00 30.21 H new ATOM 0 HE2 LYS A 28 15.864 20.077 15.906 1.00 14.52 H new ATOM 0 HE3 LYS A 28 16.927 21.183 16.753 1.00 14.52 H new ATOM 0 HZ1 LYS A 28 14.355 21.630 16.508 1.00 31.14 H new ATOM 0 HZ2 LYS A 28 15.478 22.903 16.538 1.00 31.14 H new ATOM 0 HZ3 LYS A 28 14.847 22.363 15.057 1.00 31.14 H new ATOM 411 N VAL A 29 16.915 16.241 12.829 1.00 52.20 N ATOM 412 CA VAL A 29 16.147 15.093 12.362 1.00 51.21 C ATOM 413 C VAL A 29 15.639 14.259 13.532 1.00 31.14 C ATOM 414 O VAL A 29 14.571 13.652 13.458 1.00 74.33 O ATOM 415 CB VAL A 29 16.987 14.197 11.433 1.00 73.41 C ATOM 416 CG1 VAL A 29 18.039 13.439 12.229 1.00 15.31 C ATOM 417 CG2 VAL A 29 16.090 13.235 10.668 1.00 21.42 C ATOM 0 H VAL A 29 17.843 16.325 12.414 1.00 52.20 H new ATOM 0 HA VAL A 29 15.297 15.486 11.804 1.00 51.21 H new ATOM 0 HB VAL A 29 17.500 14.832 10.711 1.00 73.41 H new ATOM 0 HG11 VAL A 29 18.623 12.811 11.556 1.00 15.31 H new ATOM 0 HG12 VAL A 29 18.700 14.149 12.727 1.00 15.31 H new ATOM 0 HG13 VAL A 29 17.550 12.813 12.975 1.00 15.31 H new ATOM 0 HG21 VAL A 29 16.700 12.609 10.016 1.00 21.42 H new ATOM 0 HG22 VAL A 29 15.548 12.605 11.373 1.00 21.42 H new ATOM 0 HG23 VAL A 29 15.379 13.801 10.066 1.00 21.42 H new ATOM 427 N ARG A 30 16.412 14.234 14.614 1.00 75.05 N ATOM 428 CA ARG A 30 16.040 13.473 15.801 1.00 42.44 C ATOM 429 C ARG A 30 14.765 14.030 16.426 1.00 55.10 C ATOM 430 O ARG A 30 14.020 13.309 17.092 1.00 45.55 O ATOM 431 CB ARG A 30 17.176 13.499 16.825 1.00 43.02 C ATOM 432 CG ARG A 30 17.051 12.432 17.900 1.00 64.33 C ATOM 433 CD ARG A 30 17.876 12.780 19.129 1.00 63.21 C ATOM 434 NE ARG A 30 19.295 12.492 18.935 1.00 10.24 N ATOM 435 CZ ARG A 30 20.178 12.449 19.927 1.00 40.52 C ATOM 436 NH1 ARG A 30 19.790 12.674 21.175 1.00 42.04 N ATOM 437 NH2 ARG A 30 21.452 12.181 19.671 1.00 41.10 N ATOM 0 H ARG A 30 17.299 14.732 14.693 1.00 75.05 H new ATOM 0 HA ARG A 30 15.855 12.442 15.499 1.00 42.44 H new ATOM 0 HB2 ARG A 30 18.125 13.370 16.305 1.00 43.02 H new ATOM 0 HB3 ARG A 30 17.204 14.480 17.300 1.00 43.02 H new ATOM 0 HG2 ARG A 30 16.004 12.320 18.183 1.00 64.33 H new ATOM 0 HG3 ARG A 30 17.378 11.472 17.501 1.00 64.33 H new ATOM 0 HD2 ARG A 30 17.749 13.837 19.363 1.00 63.21 H new ATOM 0 HD3 ARG A 30 17.506 12.217 19.986 1.00 63.21 H new ATOM 0 HE ARG A 30 19.626 12.314 17.987 1.00 10.24 H new ATOM 0 HH11 ARG A 30 18.811 12.881 21.375 1.00 42.04 H new ATOM 0 HH12 ARG A 30 20.470 12.640 21.934 1.00 42.04 H new ATOM 0 HH21 ARG A 30 21.754 12.008 18.712 1.00 41.10 H new ATOM 0 HH22 ARG A 30 22.129 12.148 20.433 1.00 41.10 H new ATOM 451 N LYS A 31 14.518 15.317 16.208 1.00 0.41 N ATOM 452 CA LYS A 31 13.333 15.972 16.749 1.00 52.22 C ATOM 453 C LYS A 31 12.196 15.966 15.732 1.00 41.14 C ATOM 454 O LYS A 31 11.036 16.192 16.080 1.00 44.51 O ATOM 455 CB LYS A 31 13.660 17.411 17.155 1.00 62.11 C ATOM 456 CG LYS A 31 14.817 17.518 18.133 1.00 43.40 C ATOM 457 CD LYS A 31 14.375 17.219 19.555 1.00 13.25 C ATOM 458 CE LYS A 31 15.448 17.597 20.564 1.00 3.44 C ATOM 459 NZ LYS A 31 16.764 16.986 20.230 1.00 61.42 N ATOM 0 H LYS A 31 15.123 15.928 15.660 1.00 0.41 H new ATOM 0 HA LYS A 31 13.012 15.416 17.630 1.00 52.22 H new ATOM 0 HB2 LYS A 31 13.897 17.987 16.261 1.00 62.11 H new ATOM 0 HB3 LYS A 31 12.775 17.864 17.601 1.00 62.11 H new ATOM 0 HG2 LYS A 31 15.605 16.824 17.843 1.00 43.40 H new ATOM 0 HG3 LYS A 31 15.242 18.521 18.086 1.00 43.40 H new ATOM 0 HD2 LYS A 31 13.459 17.767 19.775 1.00 13.25 H new ATOM 0 HD3 LYS A 31 14.143 16.158 19.649 1.00 13.25 H new ATOM 0 HE2 LYS A 31 15.549 18.682 20.597 1.00 3.44 H new ATOM 0 HE3 LYS A 31 15.140 17.275 21.559 1.00 3.44 H new ATOM 0 HZ1 LYS A 31 17.422 17.125 21.023 1.00 61.42 H new ATOM 0 HZ2 LYS A 31 16.640 15.968 20.057 1.00 61.42 H new ATOM 0 HZ3 LYS A 31 17.150 17.438 19.377 1.00 61.42 H new ATOM 473 N LEU A 32 12.535 15.705 14.474 1.00 21.41 N ATOM 474 CA LEU A 32 11.542 15.667 13.406 1.00 42.31 C ATOM 475 C LEU A 32 10.738 14.372 13.455 1.00 13.33 C ATOM 476 O LEU A 32 11.295 13.292 13.644 1.00 63.44 O ATOM 477 CB LEU A 32 12.224 15.806 12.044 1.00 63.32 C ATOM 478 CG LEU A 32 12.233 17.209 11.437 1.00 3.21 C ATOM 479 CD1 LEU A 32 10.813 17.729 11.273 1.00 25.11 C ATOM 480 CD2 LEU A 32 13.054 18.158 12.299 1.00 61.51 C ATOM 0 H LEU A 32 13.490 15.517 14.169 1.00 21.41 H new ATOM 0 HA LEU A 32 10.858 16.503 13.550 1.00 42.31 H new ATOM 0 HB2 LEU A 32 13.256 15.467 12.141 1.00 63.32 H new ATOM 0 HB3 LEU A 32 11.731 15.132 11.343 1.00 63.32 H new ATOM 0 HG LEU A 32 12.694 17.154 10.451 1.00 3.21 H new ATOM 0 HD11 LEU A 32 10.839 18.729 10.840 1.00 25.11 H new ATOM 0 HD12 LEU A 32 10.255 17.063 10.615 1.00 25.11 H new ATOM 0 HD13 LEU A 32 10.325 17.769 12.247 1.00 25.11 H new ATOM 0 HD21 LEU A 32 13.049 19.152 11.852 1.00 61.51 H new ATOM 0 HD22 LEU A 32 12.622 18.208 13.298 1.00 61.51 H new ATOM 0 HD23 LEU A 32 14.080 17.795 12.365 1.00 61.51 H new ATOM 492 N GLN A 33 9.425 14.490 13.283 1.00 41.31 N ATOM 493 CA GLN A 33 8.545 13.328 13.306 1.00 14.34 C ATOM 494 C GLN A 33 8.453 12.687 11.926 1.00 73.12 C ATOM 495 O GLN A 33 8.960 11.588 11.706 1.00 72.21 O ATOM 496 CB GLN A 33 7.150 13.729 13.790 1.00 74.24 C ATOM 497 CG GLN A 33 6.172 12.566 13.858 1.00 5.31 C ATOM 498 CD GLN A 33 4.905 12.913 14.613 1.00 13.34 C ATOM 499 OE1 GLN A 33 4.116 13.751 14.174 1.00 4.24 O ATOM 500 NE2 GLN A 33 4.701 12.269 15.757 1.00 42.04 N ATOM 0 H GLN A 33 8.948 15.378 13.126 1.00 41.31 H new ATOM 0 HA GLN A 33 8.966 12.598 13.997 1.00 14.34 H new ATOM 0 HB2 GLN A 33 7.233 14.181 14.778 1.00 74.24 H new ATOM 0 HB3 GLN A 33 6.749 14.492 13.123 1.00 74.24 H new ATOM 0 HG2 GLN A 33 5.914 12.254 12.846 1.00 5.31 H new ATOM 0 HG3 GLN A 33 6.656 11.717 14.340 1.00 5.31 H new ATOM 0 HE21 GLN A 33 5.381 11.582 16.084 1.00 42.04 H new ATOM 0 HE22 GLN A 33 3.865 12.461 16.308 1.00 42.04 H new ATOM 509 N GLY A 34 7.801 13.382 10.998 1.00 62.41 N ATOM 510 CA GLY A 34 7.654 12.864 9.650 1.00 23.43 C ATOM 511 C GLY A 34 8.989 12.613 8.977 1.00 71.13 C ATOM 512 O GLY A 34 9.251 11.512 8.493 1.00 24.41 O ATOM 0 H GLY A 34 7.372 14.294 11.156 1.00 62.41 H new ATOM 0 HA2 GLY A 34 7.086 11.934 9.681 1.00 23.43 H new ATOM 0 HA3 GLY A 34 7.077 13.570 9.053 1.00 23.43 H new ATOM 516 N VAL A 35 9.835 13.638 8.943 1.00 32.30 N ATOM 517 CA VAL A 35 11.150 13.524 8.323 1.00 35.30 C ATOM 518 C VAL A 35 11.808 12.193 8.671 1.00 11.52 C ATOM 519 O VAL A 35 11.775 11.754 9.821 1.00 43.31 O ATOM 520 CB VAL A 35 12.077 14.673 8.760 1.00 44.05 C ATOM 521 CG1 VAL A 35 13.258 14.134 9.553 1.00 12.35 C ATOM 522 CG2 VAL A 35 12.554 15.462 7.549 1.00 31.50 C ATOM 0 H VAL A 35 9.633 14.557 9.338 1.00 32.30 H new ATOM 0 HA VAL A 35 10.998 13.580 7.245 1.00 35.30 H new ATOM 0 HB VAL A 35 11.513 15.346 9.406 1.00 44.05 H new ATOM 0 HG11 VAL A 35 13.902 14.960 9.853 1.00 12.35 H new ATOM 0 HG12 VAL A 35 12.894 13.616 10.441 1.00 12.35 H new ATOM 0 HG13 VAL A 35 13.825 13.439 8.934 1.00 12.35 H new ATOM 0 HG21 VAL A 35 13.208 16.270 7.876 1.00 31.50 H new ATOM 0 HG22 VAL A 35 13.102 14.801 6.877 1.00 31.50 H new ATOM 0 HG23 VAL A 35 11.694 15.880 7.026 1.00 31.50 H new ATOM 532 N VAL A 36 12.406 11.556 7.670 1.00 22.42 N ATOM 533 CA VAL A 36 13.074 10.275 7.870 1.00 5.32 C ATOM 534 C VAL A 36 14.552 10.471 8.191 1.00 61.25 C ATOM 535 O VAL A 36 15.085 9.853 9.112 1.00 31.15 O ATOM 536 CB VAL A 36 12.945 9.374 6.628 1.00 54.22 C ATOM 537 CG1 VAL A 36 13.209 7.921 6.992 1.00 40.21 C ATOM 538 CG2 VAL A 36 11.570 9.533 5.997 1.00 75.53 C ATOM 0 H VAL A 36 12.442 11.906 6.712 1.00 22.42 H new ATOM 0 HA VAL A 36 12.582 9.790 8.713 1.00 5.32 H new ATOM 0 HB VAL A 36 13.693 9.681 5.898 1.00 54.22 H new ATOM 0 HG11 VAL A 36 13.113 7.300 6.102 1.00 40.21 H new ATOM 0 HG12 VAL A 36 14.217 7.824 7.395 1.00 40.21 H new ATOM 0 HG13 VAL A 36 12.486 7.596 7.740 1.00 40.21 H new ATOM 0 HG21 VAL A 36 11.495 8.889 5.120 1.00 75.53 H new ATOM 0 HG22 VAL A 36 10.804 9.253 6.719 1.00 75.53 H new ATOM 0 HG23 VAL A 36 11.425 10.571 5.698 1.00 75.53 H new ATOM 548 N ARG A 37 15.209 11.335 7.423 1.00 31.44 N ATOM 549 CA ARG A 37 16.626 11.611 7.625 1.00 41.51 C ATOM 550 C ARG A 37 17.043 12.879 6.885 1.00 11.32 C ATOM 551 O ARG A 37 16.402 13.284 5.915 1.00 11.02 O ATOM 552 CB ARG A 37 17.471 10.429 7.148 1.00 23.12 C ATOM 553 CG ARG A 37 18.670 10.140 8.036 1.00 4.14 C ATOM 554 CD ARG A 37 19.449 8.930 7.545 1.00 62.11 C ATOM 555 NE ARG A 37 18.823 7.674 7.951 1.00 40.44 N ATOM 556 CZ ARG A 37 18.906 7.175 9.179 1.00 53.22 C ATOM 557 NH1 ARG A 37 19.584 7.822 10.117 1.00 61.14 N ATOM 558 NH2 ARG A 37 18.308 6.027 9.471 1.00 24.11 N ATOM 0 H ARG A 37 14.783 11.855 6.656 1.00 31.44 H new ATOM 0 HA ARG A 37 16.793 11.761 8.692 1.00 41.51 H new ATOM 0 HB2 ARG A 37 16.842 9.540 7.100 1.00 23.12 H new ATOM 0 HB3 ARG A 37 17.820 10.628 6.135 1.00 23.12 H new ATOM 0 HG2 ARG A 37 19.325 11.011 8.059 1.00 4.14 H new ATOM 0 HG3 ARG A 37 18.334 9.967 9.058 1.00 4.14 H new ATOM 0 HD2 ARG A 37 19.523 8.963 6.458 1.00 62.11 H new ATOM 0 HD3 ARG A 37 20.466 8.971 7.935 1.00 62.11 H new ATOM 0 HE ARG A 37 18.293 7.152 7.253 1.00 40.44 H new ATOM 0 HH11 ARG A 37 20.044 8.705 9.896 1.00 61.14 H new ATOM 0 HH12 ARG A 37 19.646 7.436 11.059 1.00 61.14 H new ATOM 0 HH21 ARG A 37 17.784 5.527 8.752 1.00 24.11 H new ATOM 0 HH22 ARG A 37 18.372 5.644 10.414 1.00 24.11 H new ATOM 572 N VAL A 38 18.121 13.502 7.350 1.00 10.45 N ATOM 573 CA VAL A 38 18.624 14.724 6.733 1.00 20.23 C ATOM 574 C VAL A 38 20.119 14.622 6.452 1.00 72.25 C ATOM 575 O VAL A 38 20.911 14.321 7.344 1.00 4.35 O ATOM 576 CB VAL A 38 18.364 15.952 7.626 1.00 74.04 C ATOM 577 CG1 VAL A 38 19.085 15.807 8.957 1.00 15.22 C ATOM 578 CG2 VAL A 38 18.791 17.227 6.914 1.00 21.05 C ATOM 0 H VAL A 38 18.663 13.181 8.152 1.00 10.45 H new ATOM 0 HA VAL A 38 18.087 14.848 5.792 1.00 20.23 H new ATOM 0 HB VAL A 38 17.294 16.015 7.826 1.00 74.04 H new ATOM 0 HG11 VAL A 38 18.889 16.684 9.574 1.00 15.22 H new ATOM 0 HG12 VAL A 38 18.726 14.915 9.470 1.00 15.22 H new ATOM 0 HG13 VAL A 38 20.157 15.718 8.782 1.00 15.22 H new ATOM 0 HG21 VAL A 38 18.600 18.085 7.559 1.00 21.05 H new ATOM 0 HG22 VAL A 38 19.855 17.176 6.683 1.00 21.05 H new ATOM 0 HG23 VAL A 38 18.224 17.335 5.989 1.00 21.05 H new ATOM 588 N LYS A 39 20.499 14.874 5.204 1.00 54.44 N ATOM 589 CA LYS A 39 21.899 14.813 4.802 1.00 10.32 C ATOM 590 C LYS A 39 22.413 16.194 4.407 1.00 14.34 C ATOM 591 O LYS A 39 21.863 16.840 3.515 1.00 42.21 O ATOM 592 CB LYS A 39 22.074 13.839 3.635 1.00 43.41 C ATOM 593 CG LYS A 39 23.429 13.153 3.614 1.00 71.33 C ATOM 594 CD LYS A 39 23.397 11.834 4.367 1.00 23.43 C ATOM 595 CE LYS A 39 22.611 10.777 3.608 1.00 75.53 C ATOM 596 NZ LYS A 39 22.896 9.404 4.111 1.00 42.42 N ATOM 0 H LYS A 39 19.856 15.123 4.453 1.00 54.44 H new ATOM 0 HA LYS A 39 22.480 14.459 5.653 1.00 10.32 H new ATOM 0 HB2 LYS A 39 21.293 13.081 3.685 1.00 43.41 H new ATOM 0 HB3 LYS A 39 21.935 14.379 2.698 1.00 43.41 H new ATOM 0 HG2 LYS A 39 23.733 12.977 2.582 1.00 71.33 H new ATOM 0 HG3 LYS A 39 24.177 13.809 4.059 1.00 71.33 H new ATOM 0 HD2 LYS A 39 24.416 11.483 4.531 1.00 23.43 H new ATOM 0 HD3 LYS A 39 22.950 11.986 5.349 1.00 23.43 H new ATOM 0 HE2 LYS A 39 21.544 10.983 3.699 1.00 75.53 H new ATOM 0 HE3 LYS A 39 22.857 10.833 2.548 1.00 75.53 H new ATOM 0 HZ1 LYS A 39 22.341 8.713 3.567 1.00 42.42 H new ATOM 0 HZ2 LYS A 39 23.909 9.197 4.001 1.00 42.42 H new ATOM 0 HZ3 LYS A 39 22.637 9.342 5.116 1.00 42.42 H new ATOM 610 N VAL A 40 23.471 16.641 5.077 1.00 75.01 N ATOM 611 CA VAL A 40 24.060 17.944 4.794 1.00 51.21 C ATOM 612 C VAL A 40 25.444 17.798 4.171 1.00 73.11 C ATOM 613 O VAL A 40 26.311 17.115 4.715 1.00 64.24 O ATOM 614 CB VAL A 40 24.171 18.799 6.070 1.00 24.14 C ATOM 615 CG1 VAL A 40 24.781 20.156 5.753 1.00 20.20 C ATOM 616 CG2 VAL A 40 22.808 18.958 6.725 1.00 34.13 C ATOM 0 H VAL A 40 23.937 16.120 5.819 1.00 75.01 H new ATOM 0 HA VAL A 40 23.398 18.444 4.087 1.00 51.21 H new ATOM 0 HB VAL A 40 24.829 18.287 6.773 1.00 24.14 H new ATOM 0 HG11 VAL A 40 24.851 20.746 6.667 1.00 20.20 H new ATOM 0 HG12 VAL A 40 25.777 20.018 5.333 1.00 20.20 H new ATOM 0 HG13 VAL A 40 24.152 20.678 5.032 1.00 20.20 H new ATOM 0 HG21 VAL A 40 22.905 19.565 7.625 1.00 34.13 H new ATOM 0 HG22 VAL A 40 22.125 19.447 6.030 1.00 34.13 H new ATOM 0 HG23 VAL A 40 22.415 17.976 6.990 1.00 34.13 H new ATOM 626 N SER A 41 25.643 18.445 3.027 1.00 70.20 N ATOM 627 CA SER A 41 26.921 18.384 2.327 1.00 10.33 C ATOM 628 C SER A 41 27.631 19.734 2.375 1.00 53.02 C ATOM 629 O SER A 41 27.256 20.671 1.668 1.00 64.21 O ATOM 630 CB SER A 41 26.711 17.957 0.873 1.00 32.25 C ATOM 631 OG SER A 41 27.809 17.195 0.402 1.00 11.11 O ATOM 0 H SER A 41 24.936 19.017 2.565 1.00 70.20 H new ATOM 0 HA SER A 41 27.547 17.645 2.828 1.00 10.33 H new ATOM 0 HB2 SER A 41 25.796 17.371 0.791 1.00 32.25 H new ATOM 0 HB3 SER A 41 26.581 18.840 0.247 1.00 32.25 H new ATOM 0 HG SER A 41 27.650 16.933 -0.529 1.00 11.11 H new ATOM 637 N LEU A 42 28.657 19.826 3.213 1.00 41.20 N ATOM 638 CA LEU A 42 29.421 21.061 3.354 1.00 20.02 C ATOM 639 C LEU A 42 30.226 21.351 2.091 1.00 21.25 C ATOM 640 O LEU A 42 30.472 22.508 1.752 1.00 3.12 O ATOM 641 CB LEU A 42 30.358 20.969 4.560 1.00 13.21 C ATOM 642 CG LEU A 42 31.206 19.701 4.656 1.00 20.31 C ATOM 643 CD1 LEU A 42 32.682 20.052 4.755 1.00 64.10 C ATOM 644 CD2 LEU A 42 30.775 18.860 5.849 1.00 71.20 C ATOM 0 H LEU A 42 28.979 19.061 3.805 1.00 41.20 H new ATOM 0 HA LEU A 42 28.717 21.879 3.510 1.00 20.02 H new ATOM 0 HB2 LEU A 42 31.027 21.829 4.541 1.00 13.21 H new ATOM 0 HB3 LEU A 42 29.759 21.051 5.467 1.00 13.21 H new ATOM 0 HG LEU A 42 31.053 19.115 3.750 1.00 20.31 H new ATOM 0 HD11 LEU A 42 33.270 19.137 4.823 1.00 64.10 H new ATOM 0 HD12 LEU A 42 32.983 20.612 3.870 1.00 64.10 H new ATOM 0 HD13 LEU A 42 32.853 20.659 5.644 1.00 64.10 H new ATOM 0 HD21 LEU A 42 31.390 17.961 5.902 1.00 71.20 H new ATOM 0 HD22 LEU A 42 30.898 19.438 6.765 1.00 71.20 H new ATOM 0 HD23 LEU A 42 29.728 18.578 5.736 1.00 71.20 H new ATOM 656 N SER A 43 30.632 20.292 1.398 1.00 33.43 N ATOM 657 CA SER A 43 31.410 20.432 0.173 1.00 3.14 C ATOM 658 C SER A 43 30.561 21.029 -0.945 1.00 31.33 C ATOM 659 O SER A 43 31.069 21.734 -1.816 1.00 34.42 O ATOM 660 CB SER A 43 31.966 19.074 -0.262 1.00 15.55 C ATOM 661 OG SER A 43 31.132 18.471 -1.236 1.00 44.33 O ATOM 0 H SER A 43 30.435 19.327 1.664 1.00 33.43 H new ATOM 0 HA SER A 43 32.241 21.108 0.375 1.00 3.14 H new ATOM 0 HB2 SER A 43 32.970 19.201 -0.667 1.00 15.55 H new ATOM 0 HB3 SER A 43 32.052 18.418 0.604 1.00 15.55 H new ATOM 0 HG SER A 43 31.509 17.606 -1.499 1.00 44.33 H new ATOM 667 N ASN A 44 29.264 20.740 -0.912 1.00 51.04 N ATOM 668 CA ASN A 44 28.343 21.247 -1.923 1.00 33.00 C ATOM 669 C ASN A 44 27.530 22.418 -1.380 1.00 11.24 C ATOM 670 O ASN A 44 26.707 22.996 -2.088 1.00 54.15 O ATOM 671 CB ASN A 44 27.404 20.134 -2.391 1.00 75.43 C ATOM 672 CG ASN A 44 27.414 19.964 -3.898 1.00 65.42 C ATOM 673 OD1 ASN A 44 28.250 19.245 -4.447 1.00 31.22 O ATOM 674 ND2 ASN A 44 26.484 20.627 -4.575 1.00 20.40 N ATOM 0 H ASN A 44 28.827 20.158 -0.197 1.00 51.04 H new ATOM 0 HA ASN A 44 28.931 21.598 -2.771 1.00 33.00 H new ATOM 0 HB2 ASN A 44 27.695 19.195 -1.920 1.00 75.43 H new ATOM 0 HB3 ASN A 44 26.389 20.355 -2.060 1.00 75.43 H new ATOM 0 HD21 ASN A 44 26.442 20.552 -5.591 1.00 20.40 H new ATOM 0 HD22 ASN A 44 25.811 21.211 -4.079 1.00 20.40 H new ATOM 681 N GLN A 45 27.768 22.762 -0.118 1.00 43.01 N ATOM 682 CA GLN A 45 27.058 23.864 0.520 1.00 2.20 C ATOM 683 C GLN A 45 25.553 23.732 0.316 1.00 15.14 C ATOM 684 O GLN A 45 24.861 24.721 0.074 1.00 61.43 O ATOM 685 CB GLN A 45 27.545 25.203 -0.037 1.00 72.15 C ATOM 686 CG GLN A 45 29.059 25.316 -0.113 1.00 12.53 C ATOM 687 CD GLN A 45 29.518 26.663 -0.637 1.00 13.04 C ATOM 688 OE1 GLN A 45 28.709 27.476 -1.086 1.00 61.41 O ATOM 689 NE2 GLN A 45 30.822 26.907 -0.581 1.00 71.12 N ATOM 0 H GLN A 45 28.447 22.294 0.482 1.00 43.01 H new ATOM 0 HA GLN A 45 27.266 23.826 1.589 1.00 2.20 H new ATOM 0 HB2 GLN A 45 27.128 25.346 -1.034 1.00 72.15 H new ATOM 0 HB3 GLN A 45 27.160 26.009 0.588 1.00 72.15 H new ATOM 0 HG2 GLN A 45 29.482 25.153 0.878 1.00 12.53 H new ATOM 0 HG3 GLN A 45 29.446 24.528 -0.759 1.00 12.53 H new ATOM 0 HE21 GLN A 45 31.456 26.205 -0.201 1.00 71.12 H new ATOM 0 HE22 GLN A 45 31.189 27.797 -0.918 1.00 71.12 H new ATOM 698 N GLU A 46 25.052 22.505 0.417 1.00 61.44 N ATOM 699 CA GLU A 46 23.628 22.244 0.242 1.00 50.41 C ATOM 700 C GLU A 46 23.088 21.384 1.381 1.00 3.30 C ATOM 701 O GLU A 46 23.834 20.641 2.019 1.00 53.51 O ATOM 702 CB GLU A 46 23.374 21.552 -1.099 1.00 1.21 C ATOM 703 CG GLU A 46 23.458 20.037 -1.027 1.00 63.21 C ATOM 704 CD GLU A 46 23.865 19.412 -2.348 1.00 32.14 C ATOM 705 OE1 GLU A 46 23.882 20.134 -3.366 1.00 74.01 O ATOM 706 OE2 GLU A 46 24.166 18.200 -2.362 1.00 4.03 O ATOM 0 H GLU A 46 25.611 21.676 0.619 1.00 61.44 H new ATOM 0 HA GLU A 46 23.106 23.201 0.253 1.00 50.41 H new ATOM 0 HB2 GLU A 46 22.387 21.836 -1.464 1.00 1.21 H new ATOM 0 HB3 GLU A 46 24.099 21.914 -1.828 1.00 1.21 H new ATOM 0 HG2 GLU A 46 24.176 19.753 -0.258 1.00 63.21 H new ATOM 0 HG3 GLU A 46 22.491 19.637 -0.723 1.00 63.21 H new ATOM 713 N ALA A 47 21.787 21.492 1.631 1.00 63.35 N ATOM 714 CA ALA A 47 21.147 20.724 2.691 1.00 71.41 C ATOM 715 C ALA A 47 20.041 19.834 2.133 1.00 24.42 C ATOM 716 O ALA A 47 19.123 20.311 1.467 1.00 40.13 O ATOM 717 CB ALA A 47 20.589 21.657 3.756 1.00 63.34 C ATOM 0 H ALA A 47 21.156 22.104 1.114 1.00 63.35 H new ATOM 0 HA ALA A 47 21.901 20.081 3.146 1.00 71.41 H new ATOM 0 HB1 ALA A 47 20.114 21.070 4.542 1.00 63.34 H new ATOM 0 HB2 ALA A 47 21.400 22.247 4.184 1.00 63.34 H new ATOM 0 HB3 ALA A 47 19.853 22.324 3.306 1.00 63.34 H new ATOM 723 N VAL A 48 20.136 18.537 2.409 1.00 30.25 N ATOM 724 CA VAL A 48 19.143 17.580 1.935 1.00 24.25 C ATOM 725 C VAL A 48 18.264 17.088 3.080 1.00 62.33 C ATOM 726 O VAL A 48 18.764 16.616 4.101 1.00 22.22 O ATOM 727 CB VAL A 48 19.811 16.368 1.258 1.00 53.33 C ATOM 728 CG1 VAL A 48 18.766 15.340 0.854 1.00 74.44 C ATOM 729 CG2 VAL A 48 20.626 16.814 0.053 1.00 15.21 C ATOM 0 H VAL A 48 20.890 18.125 2.958 1.00 30.25 H new ATOM 0 HA VAL A 48 18.525 18.101 1.204 1.00 24.25 H new ATOM 0 HB VAL A 48 20.488 15.901 1.973 1.00 53.33 H new ATOM 0 HG11 VAL A 48 19.256 14.491 0.377 1.00 74.44 H new ATOM 0 HG12 VAL A 48 18.230 14.999 1.740 1.00 74.44 H new ATOM 0 HG13 VAL A 48 18.062 15.792 0.155 1.00 74.44 H new ATOM 0 HG21 VAL A 48 21.091 15.945 -0.413 1.00 15.21 H new ATOM 0 HG22 VAL A 48 19.972 17.306 -0.667 1.00 15.21 H new ATOM 0 HG23 VAL A 48 21.400 17.511 0.375 1.00 15.21 H new ATOM 739 N ILE A 49 16.952 17.201 2.901 1.00 24.32 N ATOM 740 CA ILE A 49 16.003 16.766 3.918 1.00 23.43 C ATOM 741 C ILE A 49 15.028 15.737 3.356 1.00 0.01 C ATOM 742 O ILE A 49 14.197 16.053 2.504 1.00 50.11 O ATOM 743 CB ILE A 49 15.207 17.953 4.490 1.00 55.34 C ATOM 744 CG1 ILE A 49 16.156 18.989 5.095 1.00 24.32 C ATOM 745 CG2 ILE A 49 14.208 17.470 5.531 1.00 62.53 C ATOM 746 CD1 ILE A 49 15.895 20.400 4.618 1.00 1.34 C ATOM 0 H ILE A 49 16.522 17.590 2.062 1.00 24.32 H new ATOM 0 HA ILE A 49 16.586 16.311 4.719 1.00 23.43 H new ATOM 0 HB ILE A 49 14.655 18.425 3.677 1.00 55.34 H new ATOM 0 HG12 ILE A 49 16.068 18.959 6.181 1.00 24.32 H new ATOM 0 HG13 ILE A 49 17.182 18.716 4.851 1.00 24.32 H new ATOM 0 HG21 ILE A 49 13.653 18.321 5.926 1.00 62.53 H new ATOM 0 HG22 ILE A 49 13.514 16.767 5.071 1.00 62.53 H new ATOM 0 HG23 ILE A 49 14.740 16.975 6.344 1.00 62.53 H new ATOM 0 HD11 ILE A 49 16.605 21.080 5.088 1.00 1.34 H new ATOM 0 HD12 ILE A 49 16.011 20.445 3.535 1.00 1.34 H new ATOM 0 HD13 ILE A 49 14.880 20.693 4.886 1.00 1.34 H new ATOM 758 N THR A 50 15.133 14.503 3.840 1.00 44.21 N ATOM 759 CA THR A 50 14.261 13.427 3.387 1.00 52.42 C ATOM 760 C THR A 50 13.052 13.276 4.304 1.00 45.41 C ATOM 761 O THR A 50 13.198 13.072 5.509 1.00 34.43 O ATOM 762 CB THR A 50 15.012 12.084 3.321 1.00 3.42 C ATOM 763 OG1 THR A 50 16.214 12.232 2.556 1.00 13.23 O ATOM 764 CG2 THR A 50 14.139 11.005 2.699 1.00 13.34 C ATOM 0 H THR A 50 15.814 14.224 4.546 1.00 44.21 H new ATOM 0 HA THR A 50 13.923 13.695 2.386 1.00 52.42 H new ATOM 0 HB THR A 50 15.263 11.784 4.338 1.00 3.42 H new ATOM 0 HG1 THR A 50 16.687 11.374 2.520 1.00 13.23 H new ATOM 0 HG21 THR A 50 14.691 10.066 2.663 1.00 13.34 H new ATOM 0 HG22 THR A 50 13.239 10.874 3.300 1.00 13.34 H new ATOM 0 HG23 THR A 50 13.860 11.301 1.688 1.00 13.34 H new ATOM 772 N TYR A 51 11.861 13.378 3.726 1.00 72.11 N ATOM 773 CA TYR A 51 10.627 13.254 4.492 1.00 14.13 C ATOM 774 C TYR A 51 9.630 12.346 3.778 1.00 65.21 C ATOM 775 O TYR A 51 9.865 11.917 2.648 1.00 1.25 O ATOM 776 CB TYR A 51 10.004 14.632 4.722 1.00 53.13 C ATOM 777 CG TYR A 51 9.117 15.092 3.587 1.00 15.10 C ATOM 778 CD1 TYR A 51 9.621 15.238 2.300 1.00 12.25 C ATOM 779 CD2 TYR A 51 7.775 15.382 3.801 1.00 33.44 C ATOM 780 CE1 TYR A 51 8.814 15.659 1.261 1.00 63.24 C ATOM 781 CE2 TYR A 51 6.961 15.801 2.767 1.00 15.34 C ATOM 782 CZ TYR A 51 7.485 15.939 1.499 1.00 32.40 C ATOM 783 OH TYR A 51 6.677 16.358 0.467 1.00 64.14 O ATOM 0 H TYR A 51 11.724 13.546 2.729 1.00 72.11 H new ATOM 0 HA TYR A 51 10.872 12.807 5.456 1.00 14.13 H new ATOM 0 HB2 TYR A 51 9.420 14.609 5.642 1.00 53.13 H new ATOM 0 HB3 TYR A 51 10.800 15.362 4.869 1.00 53.13 H new ATOM 0 HD1 TYR A 51 10.661 15.019 2.109 1.00 12.25 H new ATOM 0 HD2 TYR A 51 7.361 15.278 4.793 1.00 33.44 H new ATOM 0 HE1 TYR A 51 9.222 15.768 0.267 1.00 63.24 H new ATOM 0 HE2 TYR A 51 5.919 16.019 2.951 1.00 15.34 H new ATOM 0 HH TYR A 51 5.888 15.779 0.413 1.00 64.14 H new ATOM 793 N GLN A 52 8.518 12.058 4.446 1.00 70.13 N ATOM 794 CA GLN A 52 7.485 11.201 3.875 1.00 25.33 C ATOM 795 C GLN A 52 6.143 11.922 3.830 1.00 53.41 C ATOM 796 O GLN A 52 5.736 12.589 4.782 1.00 60.12 O ATOM 797 CB GLN A 52 7.357 9.911 4.688 1.00 65.13 C ATOM 798 CG GLN A 52 8.346 8.832 4.276 1.00 73.23 C ATOM 799 CD GLN A 52 8.266 7.600 5.156 1.00 14.20 C ATOM 800 OE1 GLN A 52 7.945 6.508 4.687 1.00 22.43 O ATOM 801 NE2 GLN A 52 8.557 7.770 6.440 1.00 3.33 N ATOM 0 H GLN A 52 8.309 12.405 5.382 1.00 70.13 H new ATOM 0 HA GLN A 52 7.777 10.952 2.855 1.00 25.33 H new ATOM 0 HB2 GLN A 52 7.501 10.141 5.744 1.00 65.13 H new ATOM 0 HB3 GLN A 52 6.344 9.523 4.582 1.00 65.13 H new ATOM 0 HG2 GLN A 52 8.157 8.547 3.241 1.00 73.23 H new ATOM 0 HG3 GLN A 52 9.357 9.237 4.316 1.00 73.23 H new ATOM 0 HE21 GLN A 52 8.818 8.693 6.786 1.00 3.33 H new ATOM 0 HE22 GLN A 52 8.519 6.977 7.081 1.00 3.33 H new ATOM 810 N PRO A 53 5.436 11.788 2.698 1.00 43.35 N ATOM 811 CA PRO A 53 4.128 12.420 2.501 1.00 44.51 C ATOM 812 C PRO A 53 3.044 11.790 3.368 1.00 53.22 C ATOM 813 O PRO A 53 1.999 12.395 3.609 1.00 73.12 O ATOM 814 CB PRO A 53 3.836 12.177 1.018 1.00 3.41 C ATOM 815 CG PRO A 53 4.620 10.959 0.672 1.00 23.23 C ATOM 816 CD PRO A 53 5.860 11.009 1.522 1.00 32.12 C ATOM 0 HA PRO A 53 4.138 13.474 2.780 1.00 44.51 H new ATOM 0 HB2 PRO A 53 2.771 12.025 0.844 1.00 3.41 H new ATOM 0 HB3 PRO A 53 4.140 13.029 0.410 1.00 3.41 H new ATOM 0 HG2 PRO A 53 4.045 10.055 0.873 1.00 23.23 H new ATOM 0 HG3 PRO A 53 4.874 10.946 -0.388 1.00 23.23 H new ATOM 0 HD2 PRO A 53 6.196 10.011 1.801 1.00 32.12 H new ATOM 0 HD3 PRO A 53 6.687 11.489 0.999 1.00 32.12 H new ATOM 824 N TYR A 54 3.299 10.573 3.834 1.00 73.20 N ATOM 825 CA TYR A 54 2.343 9.860 4.673 1.00 73.22 C ATOM 826 C TYR A 54 2.419 10.344 6.118 1.00 73.23 C ATOM 827 O TYR A 54 1.525 10.077 6.922 1.00 21.24 O ATOM 828 CB TYR A 54 2.604 8.354 4.613 1.00 32.12 C ATOM 829 CG TYR A 54 1.986 7.586 5.760 1.00 54.31 C ATOM 830 CD1 TYR A 54 2.664 7.431 6.963 1.00 74.52 C ATOM 831 CD2 TYR A 54 0.724 7.016 5.640 1.00 3.03 C ATOM 832 CE1 TYR A 54 2.103 6.729 8.013 1.00 1.50 C ATOM 833 CE2 TYR A 54 0.156 6.315 6.686 1.00 75.33 C ATOM 834 CZ TYR A 54 0.849 6.174 7.870 1.00 72.02 C ATOM 835 OH TYR A 54 0.286 5.475 8.913 1.00 62.20 O ATOM 0 H TYR A 54 4.160 10.059 3.645 1.00 73.20 H new ATOM 0 HA TYR A 54 1.342 10.064 4.293 1.00 73.22 H new ATOM 0 HB2 TYR A 54 2.214 7.963 3.673 1.00 32.12 H new ATOM 0 HB3 TYR A 54 3.680 8.180 4.608 1.00 32.12 H new ATOM 0 HD1 TYR A 54 3.646 7.866 7.079 1.00 74.52 H new ATOM 0 HD2 TYR A 54 0.179 7.123 4.714 1.00 3.03 H new ATOM 0 HE1 TYR A 54 2.644 6.616 8.941 1.00 1.50 H new ATOM 0 HE2 TYR A 54 -0.826 5.879 6.577 1.00 75.33 H new ATOM 0 HH TYR A 54 -0.600 5.150 8.649 1.00 62.20 H new ATOM 845 N LEU A 55 3.492 11.058 6.440 1.00 73.33 N ATOM 846 CA LEU A 55 3.686 11.581 7.787 1.00 3.04 C ATOM 847 C LEU A 55 3.565 13.101 7.804 1.00 51.40 C ATOM 848 O LEU A 55 2.548 13.648 8.232 1.00 73.12 O ATOM 849 CB LEU A 55 5.055 11.161 8.326 1.00 41.40 C ATOM 850 CG LEU A 55 5.299 9.656 8.440 1.00 12.24 C ATOM 851 CD1 LEU A 55 6.736 9.378 8.853 1.00 33.13 C ATOM 852 CD2 LEU A 55 4.327 9.032 9.431 1.00 12.43 C ATOM 0 H LEU A 55 4.241 11.288 5.786 1.00 73.33 H new ATOM 0 HA LEU A 55 2.907 11.166 8.427 1.00 3.04 H new ATOM 0 HB2 LEU A 55 5.823 11.585 7.680 1.00 41.40 H new ATOM 0 HB3 LEU A 55 5.187 11.606 9.312 1.00 41.40 H new ATOM 0 HG LEU A 55 5.130 9.205 7.462 1.00 12.24 H new ATOM 0 HD11 LEU A 55 6.891 8.302 8.929 1.00 33.13 H new ATOM 0 HD12 LEU A 55 7.415 9.791 8.107 1.00 33.13 H new ATOM 0 HD13 LEU A 55 6.933 9.842 9.819 1.00 33.13 H new ATOM 0 HD21 LEU A 55 4.515 7.961 9.500 1.00 12.43 H new ATOM 0 HD22 LEU A 55 4.464 9.488 10.411 1.00 12.43 H new ATOM 0 HD23 LEU A 55 3.305 9.200 9.093 1.00 12.43 H new ATOM 864 N ILE A 56 4.607 13.778 7.334 1.00 43.10 N ATOM 865 CA ILE A 56 4.616 15.235 7.292 1.00 55.11 C ATOM 866 C ILE A 56 4.670 15.743 5.855 1.00 1.22 C ATOM 867 O ILE A 56 5.138 15.044 4.957 1.00 21.11 O ATOM 868 CB ILE A 56 5.809 15.814 8.075 1.00 54.20 C ATOM 869 CG1 ILE A 56 5.633 17.321 8.274 1.00 11.00 C ATOM 870 CG2 ILE A 56 7.112 15.519 7.349 1.00 64.32 C ATOM 871 CD1 ILE A 56 6.770 17.967 9.035 1.00 33.51 C ATOM 0 H ILE A 56 5.456 13.341 6.977 1.00 43.10 H new ATOM 0 HA ILE A 56 3.690 15.570 7.759 1.00 55.11 H new ATOM 0 HB ILE A 56 5.846 15.339 9.055 1.00 54.20 H new ATOM 0 HG12 ILE A 56 5.541 17.800 7.299 1.00 11.00 H new ATOM 0 HG13 ILE A 56 4.700 17.502 8.808 1.00 11.00 H new ATOM 0 HG21 ILE A 56 7.946 15.935 7.915 1.00 64.32 H new ATOM 0 HG22 ILE A 56 7.240 14.441 7.254 1.00 64.32 H new ATOM 0 HG23 ILE A 56 7.086 15.970 6.357 1.00 64.32 H new ATOM 0 HD11 ILE A 56 6.578 19.035 9.139 1.00 33.51 H new ATOM 0 HD12 ILE A 56 6.849 17.515 10.024 1.00 33.51 H new ATOM 0 HD13 ILE A 56 7.703 17.817 8.492 1.00 33.51 H new ATOM 883 N GLN A 57 4.190 16.965 5.647 1.00 42.02 N ATOM 884 CA GLN A 57 4.186 17.567 4.319 1.00 54.22 C ATOM 885 C GLN A 57 5.496 18.299 4.049 1.00 50.24 C ATOM 886 O GLN A 57 6.292 18.553 4.953 1.00 32.42 O ATOM 887 CB GLN A 57 3.009 18.534 4.178 1.00 11.55 C ATOM 888 CG GLN A 57 1.829 17.951 3.419 1.00 72.33 C ATOM 889 CD GLN A 57 0.919 19.018 2.844 1.00 50.42 C ATOM 890 OE1 GLN A 57 1.289 19.728 1.908 1.00 62.32 O ATOM 891 NE2 GLN A 57 -0.280 19.138 3.402 1.00 2.52 N ATOM 0 H GLN A 57 3.799 17.557 6.380 1.00 42.02 H new ATOM 0 HA GLN A 57 4.080 16.768 3.586 1.00 54.22 H new ATOM 0 HB2 GLN A 57 2.677 18.837 5.171 1.00 11.55 H new ATOM 0 HB3 GLN A 57 3.349 19.435 3.667 1.00 11.55 H new ATOM 0 HG2 GLN A 57 2.198 17.320 2.611 1.00 72.33 H new ATOM 0 HG3 GLN A 57 1.254 17.310 4.087 1.00 72.33 H new ATOM 0 HE21 GLN A 57 -0.546 18.529 4.176 1.00 2.52 H new ATOM 0 HE22 GLN A 57 -0.935 19.839 3.057 1.00 2.52 H new ATOM 900 N PRO A 58 5.728 18.648 2.774 1.00 33.32 N ATOM 901 CA PRO A 58 6.941 19.356 2.355 1.00 20.33 C ATOM 902 C PRO A 58 6.975 20.795 2.858 1.00 51.03 C ATOM 903 O PRO A 58 7.997 21.263 3.359 1.00 71.42 O ATOM 904 CB PRO A 58 6.860 19.325 0.827 1.00 21.40 C ATOM 905 CG PRO A 58 5.406 19.198 0.527 1.00 3.12 C ATOM 906 CD PRO A 58 4.823 18.378 1.644 1.00 31.32 C ATOM 0 HA PRO A 58 7.842 18.893 2.757 1.00 20.33 H new ATOM 0 HB2 PRO A 58 7.277 20.233 0.390 1.00 21.40 H new ATOM 0 HB3 PRO A 58 7.423 18.486 0.418 1.00 21.40 H new ATOM 0 HG2 PRO A 58 4.932 20.178 0.473 1.00 3.12 H new ATOM 0 HG3 PRO A 58 5.247 18.714 -0.437 1.00 3.12 H new ATOM 0 HD2 PRO A 58 3.799 18.676 1.869 1.00 31.32 H new ATOM 0 HD3 PRO A 58 4.798 17.317 1.393 1.00 31.32 H new ATOM 914 N GLU A 59 5.851 21.492 2.720 1.00 20.34 N ATOM 915 CA GLU A 59 5.754 22.878 3.161 1.00 40.42 C ATOM 916 C GLU A 59 5.972 22.987 4.667 1.00 4.41 C ATOM 917 O GLU A 59 6.563 23.953 5.151 1.00 13.32 O ATOM 918 CB GLU A 59 4.389 23.461 2.789 1.00 73.51 C ATOM 919 CG GLU A 59 4.245 23.779 1.310 1.00 20.31 C ATOM 920 CD GLU A 59 2.899 24.389 0.973 1.00 54.12 C ATOM 921 OE1 GLU A 59 1.947 23.623 0.715 1.00 61.14 O ATOM 922 OE2 GLU A 59 2.797 25.634 0.968 1.00 71.15 O ATOM 0 H GLU A 59 4.996 21.120 2.307 1.00 20.34 H new ATOM 0 HA GLU A 59 6.534 23.448 2.656 1.00 40.42 H new ATOM 0 HB2 GLU A 59 3.611 22.754 3.077 1.00 73.51 H new ATOM 0 HB3 GLU A 59 4.223 24.371 3.365 1.00 73.51 H new ATOM 0 HG2 GLU A 59 5.036 24.467 1.011 1.00 20.31 H new ATOM 0 HG3 GLU A 59 4.381 22.866 0.731 1.00 20.31 H new ATOM 929 N ASP A 60 5.492 21.991 5.402 1.00 33.31 N ATOM 930 CA ASP A 60 5.634 21.973 6.853 1.00 1.23 C ATOM 931 C ASP A 60 7.096 21.802 7.254 1.00 42.41 C ATOM 932 O ASP A 60 7.590 22.488 8.151 1.00 75.15 O ATOM 933 CB ASP A 60 4.792 20.847 7.456 1.00 5.32 C ATOM 934 CG ASP A 60 3.665 21.369 8.325 1.00 3.05 C ATOM 935 OD1 ASP A 60 3.135 22.458 8.020 1.00 3.01 O ATOM 936 OD2 ASP A 60 3.312 20.688 9.311 1.00 65.13 O ATOM 0 H ASP A 60 5.001 21.184 5.017 1.00 33.31 H new ATOM 0 HA ASP A 60 5.279 22.928 7.240 1.00 1.23 H new ATOM 0 HB2 ASP A 60 4.376 20.238 6.653 1.00 5.32 H new ATOM 0 HB3 ASP A 60 5.433 20.196 8.050 1.00 5.32 H new ATOM 941 N LEU A 61 7.784 20.884 6.585 1.00 60.22 N ATOM 942 CA LEU A 61 9.190 20.622 6.871 1.00 22.43 C ATOM 943 C LEU A 61 10.061 21.800 6.447 1.00 22.24 C ATOM 944 O LEU A 61 11.131 22.028 7.012 1.00 43.14 O ATOM 945 CB LEU A 61 9.649 19.350 6.155 1.00 15.10 C ATOM 946 CG LEU A 61 10.305 19.549 4.788 1.00 14.12 C ATOM 947 CD1 LEU A 61 11.800 19.781 4.942 1.00 33.54 C ATOM 948 CD2 LEU A 61 10.038 18.350 3.889 1.00 5.43 C ATOM 0 H LEU A 61 7.391 20.308 5.840 1.00 60.22 H new ATOM 0 HA LEU A 61 9.296 20.484 7.947 1.00 22.43 H new ATOM 0 HB2 LEU A 61 10.354 18.827 6.801 1.00 15.10 H new ATOM 0 HB3 LEU A 61 8.786 18.696 6.030 1.00 15.10 H new ATOM 0 HG LEU A 61 9.868 20.432 4.321 1.00 14.12 H new ATOM 0 HD11 LEU A 61 12.250 19.921 3.959 1.00 33.54 H new ATOM 0 HD12 LEU A 61 11.970 20.671 5.548 1.00 33.54 H new ATOM 0 HD13 LEU A 61 12.254 18.918 5.429 1.00 33.54 H new ATOM 0 HD21 LEU A 61 10.512 18.509 2.920 1.00 5.43 H new ATOM 0 HD22 LEU A 61 10.447 17.451 4.350 1.00 5.43 H new ATOM 0 HD23 LEU A 61 8.963 18.230 3.752 1.00 5.43 H new ATOM 960 N ARG A 62 9.594 22.546 5.452 1.00 43.03 N ATOM 961 CA ARG A 62 10.330 23.702 4.953 1.00 62.41 C ATOM 962 C ARG A 62 10.554 24.724 6.063 1.00 12.31 C ATOM 963 O ARG A 62 11.635 25.300 6.181 1.00 3.53 O ATOM 964 CB ARG A 62 9.576 24.351 3.791 1.00 33.22 C ATOM 965 CG ARG A 62 10.267 24.185 2.448 1.00 41.52 C ATOM 966 CD ARG A 62 11.217 25.339 2.165 1.00 62.45 C ATOM 967 NE ARG A 62 10.528 26.626 2.158 1.00 3.42 N ATOM 968 CZ ARG A 62 9.686 27.005 1.203 1.00 30.42 C ATOM 969 NH1 ARG A 62 9.430 26.197 0.183 1.00 15.41 N ATOM 970 NH2 ARG A 62 9.098 28.192 1.268 1.00 52.32 N ATOM 0 H ARG A 62 8.709 22.371 4.975 1.00 43.03 H new ATOM 0 HA ARG A 62 11.302 23.358 4.599 1.00 62.41 H new ATOM 0 HB2 ARG A 62 8.577 23.920 3.732 1.00 33.22 H new ATOM 0 HB3 ARG A 62 9.453 25.414 3.998 1.00 33.22 H new ATOM 0 HG2 ARG A 62 10.820 23.246 2.435 1.00 41.52 H new ATOM 0 HG3 ARG A 62 9.519 24.125 1.657 1.00 41.52 H new ATOM 0 HD2 ARG A 62 12.004 25.353 2.919 1.00 62.45 H new ATOM 0 HD3 ARG A 62 11.701 25.182 1.201 1.00 62.45 H new ATOM 0 HE ARG A 62 10.703 27.270 2.929 1.00 3.42 H new ATOM 0 HH11 ARG A 62 9.880 25.283 0.131 1.00 15.41 H new ATOM 0 HH12 ARG A 62 8.783 26.490 -0.549 1.00 15.41 H new ATOM 0 HH21 ARG A 62 9.292 28.815 2.052 1.00 52.32 H new ATOM 0 HH22 ARG A 62 8.452 28.482 0.534 1.00 52.32 H new ATOM 984 N ASP A 63 9.524 24.945 6.873 1.00 24.43 N ATOM 985 CA ASP A 63 9.608 25.897 7.974 1.00 2.23 C ATOM 986 C ASP A 63 10.621 25.435 9.017 1.00 31.32 C ATOM 987 O ASP A 63 11.316 26.248 9.627 1.00 54.51 O ATOM 988 CB ASP A 63 8.236 26.080 8.624 1.00 13.30 C ATOM 989 CG ASP A 63 8.327 26.703 10.003 1.00 14.03 C ATOM 990 OD1 ASP A 63 8.960 27.772 10.132 1.00 61.25 O ATOM 991 OD2 ASP A 63 7.763 26.122 10.954 1.00 5.23 O ATOM 0 H ASP A 63 8.621 24.478 6.788 1.00 24.43 H new ATOM 0 HA ASP A 63 9.941 26.853 7.570 1.00 2.23 H new ATOM 0 HB2 ASP A 63 7.615 26.708 7.985 1.00 13.30 H new ATOM 0 HB3 ASP A 63 7.740 25.112 8.698 1.00 13.30 H new ATOM 996 N HIS A 64 10.699 24.123 9.218 1.00 12.01 N ATOM 997 CA HIS A 64 11.626 23.552 10.188 1.00 25.11 C ATOM 998 C HIS A 64 13.071 23.865 9.808 1.00 14.44 C ATOM 999 O HIS A 64 13.916 24.092 10.674 1.00 13.14 O ATOM 1000 CB HIS A 64 11.429 22.039 10.284 1.00 21.25 C ATOM 1001 CG HIS A 64 11.640 21.494 11.664 1.00 55.04 C ATOM 1002 ND1 HIS A 64 12.771 21.749 12.409 1.00 2.10 N ATOM 1003 CD2 HIS A 64 10.854 20.705 12.433 1.00 20.31 C ATOM 1004 CE1 HIS A 64 12.673 21.139 13.577 1.00 65.14 C ATOM 1005 NE2 HIS A 64 11.519 20.498 13.617 1.00 40.43 N ATOM 0 H HIS A 64 10.131 23.436 8.722 1.00 12.01 H new ATOM 0 HA HIS A 64 11.418 24.001 11.159 1.00 25.11 H new ATOM 0 HB2 HIS A 64 10.420 21.791 9.954 1.00 21.25 H new ATOM 0 HB3 HIS A 64 12.119 21.547 9.598 1.00 21.25 H new ATOM 0 HD1 HIS A 64 13.560 22.319 12.106 1.00 2.10 H new ATOM 0 HD2 HIS A 64 9.884 20.311 12.166 1.00 20.31 H new ATOM 0 HE1 HIS A 64 13.411 21.161 14.365 1.00 65.14 H new ATOM 1013 N VAL A 65 13.347 23.876 8.508 1.00 32.42 N ATOM 1014 CA VAL A 65 14.688 24.161 8.014 1.00 43.42 C ATOM 1015 C VAL A 65 15.140 25.558 8.426 1.00 52.03 C ATOM 1016 O VAL A 65 16.276 25.752 8.856 1.00 50.44 O ATOM 1017 CB VAL A 65 14.758 24.043 6.480 1.00 63.32 C ATOM 1018 CG1 VAL A 65 16.196 24.164 6.000 1.00 65.13 C ATOM 1019 CG2 VAL A 65 14.142 22.730 6.019 1.00 44.43 C ATOM 0 H VAL A 65 12.659 23.691 7.778 1.00 32.42 H new ATOM 0 HA VAL A 65 15.353 23.421 8.459 1.00 43.42 H new ATOM 0 HB VAL A 65 14.185 24.861 6.043 1.00 63.32 H new ATOM 0 HG11 VAL A 65 16.225 24.078 4.914 1.00 65.13 H new ATOM 0 HG12 VAL A 65 16.599 25.132 6.299 1.00 65.13 H new ATOM 0 HG13 VAL A 65 16.796 23.369 6.443 1.00 65.13 H new ATOM 0 HG21 VAL A 65 14.200 22.663 4.933 1.00 44.43 H new ATOM 0 HG22 VAL A 65 14.686 21.897 6.464 1.00 44.43 H new ATOM 0 HG23 VAL A 65 13.098 22.689 6.330 1.00 44.43 H new ATOM 1029 N ASN A 66 14.241 26.528 8.292 1.00 42.15 N ATOM 1030 CA ASN A 66 14.547 27.908 8.650 1.00 42.31 C ATOM 1031 C ASN A 66 14.835 28.032 10.143 1.00 33.41 C ATOM 1032 O ASN A 66 15.473 28.987 10.586 1.00 62.50 O ATOM 1033 CB ASN A 66 13.385 28.826 8.265 1.00 3.53 C ATOM 1034 CG ASN A 66 13.857 30.186 7.785 1.00 32.44 C ATOM 1035 OD1 ASN A 66 14.616 30.870 8.472 1.00 35.23 O ATOM 1036 ND2 ASN A 66 13.408 30.583 6.601 1.00 71.05 N ATOM 0 H ASN A 66 13.295 26.384 7.938 1.00 42.15 H new ATOM 0 HA ASN A 66 15.438 28.211 8.100 1.00 42.31 H new ATOM 0 HB2 ASN A 66 12.795 28.352 7.481 1.00 3.53 H new ATOM 0 HB3 ASN A 66 12.727 28.955 9.125 1.00 3.53 H new ATOM 0 HD21 ASN A 66 13.691 31.488 6.226 1.00 71.05 H new ATOM 0 HD22 ASN A 66 12.780 29.983 6.066 1.00 71.05 H new ATOM 1043 N ASP A 67 14.360 27.059 10.914 1.00 53.34 N ATOM 1044 CA ASP A 67 14.567 27.057 12.357 1.00 12.42 C ATOM 1045 C ASP A 67 16.055 27.044 12.693 1.00 51.24 C ATOM 1046 O ASP A 67 16.459 27.444 13.784 1.00 15.12 O ATOM 1047 CB ASP A 67 13.878 25.848 12.991 1.00 13.11 C ATOM 1048 CG ASP A 67 13.577 26.059 14.462 1.00 75.40 C ATOM 1049 OD1 ASP A 67 14.498 25.885 15.287 1.00 33.34 O ATOM 1050 OD2 ASP A 67 12.420 26.398 14.788 1.00 71.04 O ATOM 0 H ASP A 67 13.829 26.262 10.563 1.00 53.34 H new ATOM 0 HA ASP A 67 14.129 27.969 12.763 1.00 12.42 H new ATOM 0 HB2 ASP A 67 12.949 25.642 12.459 1.00 13.11 H new ATOM 0 HB3 ASP A 67 14.513 24.970 12.875 1.00 13.11 H new ATOM 1055 N MET A 68 16.865 26.581 11.747 1.00 64.23 N ATOM 1056 CA MET A 68 18.309 26.516 11.942 1.00 20.45 C ATOM 1057 C MET A 68 18.932 27.905 11.859 1.00 2.41 C ATOM 1058 O MET A 68 20.087 28.102 12.235 1.00 62.15 O ATOM 1059 CB MET A 68 18.946 25.595 10.899 1.00 14.14 C ATOM 1060 CG MET A 68 18.547 24.136 11.052 1.00 54.31 C ATOM 1061 SD MET A 68 18.999 23.457 12.660 1.00 54.11 S ATOM 1062 CE MET A 68 20.728 23.915 12.747 1.00 60.02 C ATOM 0 H MET A 68 16.546 26.245 10.838 1.00 64.23 H new ATOM 0 HA MET A 68 18.498 26.111 12.936 1.00 20.45 H new ATOM 0 HB2 MET A 68 18.664 25.938 9.903 1.00 14.14 H new ATOM 0 HB3 MET A 68 20.031 25.676 10.969 1.00 14.14 H new ATOM 0 HG2 MET A 68 17.470 24.041 10.912 1.00 54.31 H new ATOM 0 HG3 MET A 68 19.024 23.549 10.267 1.00 54.31 H new ATOM 0 HE1 MET A 68 21.314 23.060 13.084 1.00 60.02 H new ATOM 0 HE2 MET A 68 21.072 24.225 11.760 1.00 60.02 H new ATOM 0 HE3 MET A 68 20.851 24.739 13.450 1.00 60.02 H new ATOM 1072 N GLY A 69 18.159 28.867 11.364 1.00 41.31 N ATOM 1073 CA GLY A 69 18.653 30.226 11.240 1.00 3.21 C ATOM 1074 C GLY A 69 19.246 30.505 9.873 1.00 3.23 C ATOM 1075 O GLY A 69 19.442 31.661 9.498 1.00 44.22 O ATOM 0 H GLY A 69 17.199 28.729 11.047 1.00 41.31 H new ATOM 0 HA2 GLY A 69 17.838 30.924 11.428 1.00 3.21 H new ATOM 0 HA3 GLY A 69 19.409 30.406 12.004 1.00 3.21 H new ATOM 1079 N PHE A 70 19.534 29.444 9.127 1.00 24.12 N ATOM 1080 CA PHE A 70 20.111 29.580 7.795 1.00 64.21 C ATOM 1081 C PHE A 70 19.020 29.780 6.747 1.00 21.43 C ATOM 1082 O PHE A 70 17.835 29.609 7.031 1.00 20.30 O ATOM 1083 CB PHE A 70 20.946 28.345 7.449 1.00 21.01 C ATOM 1084 CG PHE A 70 21.808 27.868 8.582 1.00 24.35 C ATOM 1085 CD1 PHE A 70 22.650 28.745 9.247 1.00 64.02 C ATOM 1086 CD2 PHE A 70 21.777 26.542 8.984 1.00 73.01 C ATOM 1087 CE1 PHE A 70 23.445 28.308 10.289 1.00 4.05 C ATOM 1088 CE2 PHE A 70 22.569 26.099 10.026 1.00 2.33 C ATOM 1089 CZ PHE A 70 23.404 26.984 10.681 1.00 71.15 C ATOM 0 H PHE A 70 19.377 28.480 9.422 1.00 24.12 H new ATOM 0 HA PHE A 70 20.756 30.458 7.794 1.00 64.21 H new ATOM 0 HB2 PHE A 70 20.279 27.538 7.146 1.00 21.01 H new ATOM 0 HB3 PHE A 70 21.580 28.573 6.592 1.00 21.01 H new ATOM 0 HD1 PHE A 70 22.685 29.782 8.947 1.00 64.02 H new ATOM 0 HD2 PHE A 70 21.126 25.846 8.476 1.00 73.01 H new ATOM 0 HE1 PHE A 70 24.099 29.002 10.797 1.00 4.05 H new ATOM 0 HE2 PHE A 70 22.535 25.063 10.328 1.00 2.33 H new ATOM 0 HZ PHE A 70 24.023 26.642 11.497 1.00 71.15 H new ATOM 1099 N GLU A 71 19.430 30.143 5.536 1.00 1.11 N ATOM 1100 CA GLU A 71 18.487 30.368 4.447 1.00 62.43 C ATOM 1101 C GLU A 71 18.625 29.288 3.377 1.00 43.54 C ATOM 1102 O GLU A 71 19.712 29.062 2.845 1.00 53.22 O ATOM 1103 CB GLU A 71 18.710 31.748 3.826 1.00 43.30 C ATOM 1104 CG GLU A 71 18.892 32.855 4.852 1.00 71.54 C ATOM 1105 CD GLU A 71 18.623 34.232 4.278 1.00 53.13 C ATOM 1106 OE1 GLU A 71 19.469 34.727 3.503 1.00 15.14 O ATOM 1107 OE2 GLU A 71 17.567 34.815 4.603 1.00 63.14 O ATOM 0 H GLU A 71 20.408 30.287 5.284 1.00 1.11 H new ATOM 0 HA GLU A 71 17.479 30.322 4.858 1.00 62.43 H new ATOM 0 HB2 GLU A 71 19.590 31.710 3.184 1.00 43.30 H new ATOM 0 HB3 GLU A 71 17.861 31.992 3.188 1.00 43.30 H new ATOM 0 HG2 GLU A 71 18.222 32.679 5.694 1.00 71.54 H new ATOM 0 HG3 GLU A 71 19.909 32.820 5.242 1.00 71.54 H new ATOM 1114 N ALA A 72 17.516 28.625 3.067 1.00 40.20 N ATOM 1115 CA ALA A 72 17.512 27.571 2.060 1.00 0.22 C ATOM 1116 C ALA A 72 16.544 27.897 0.928 1.00 43.43 C ATOM 1117 O ALA A 72 15.455 28.421 1.161 1.00 62.32 O ATOM 1118 CB ALA A 72 17.153 26.236 2.695 1.00 24.04 C ATOM 0 H ALA A 72 16.608 28.799 3.499 1.00 40.20 H new ATOM 0 HA ALA A 72 18.514 27.503 1.638 1.00 0.22 H new ATOM 0 HB1 ALA A 72 17.154 25.458 1.932 1.00 24.04 H new ATOM 0 HB2 ALA A 72 17.885 25.990 3.464 1.00 24.04 H new ATOM 0 HB3 ALA A 72 16.162 26.302 3.145 1.00 24.04 H new ATOM 1124 N ALA A 73 16.949 27.585 -0.299 1.00 4.40 N ATOM 1125 CA ALA A 73 16.117 27.844 -1.467 1.00 43.33 C ATOM 1126 C ALA A 73 16.089 26.638 -2.399 1.00 74.42 C ATOM 1127 O ALA A 73 17.106 25.974 -2.601 1.00 73.35 O ATOM 1128 CB ALA A 73 16.617 29.075 -2.209 1.00 65.13 C ATOM 0 H ALA A 73 17.848 27.152 -0.509 1.00 4.40 H new ATOM 0 HA ALA A 73 15.099 28.029 -1.123 1.00 43.33 H new ATOM 0 HB1 ALA A 73 15.986 29.257 -3.079 1.00 65.13 H new ATOM 0 HB2 ALA A 73 16.579 29.940 -1.546 1.00 65.13 H new ATOM 0 HB3 ALA A 73 17.645 28.912 -2.534 1.00 65.13 H new ATOM 1134 N ILE A 74 14.918 26.359 -2.963 1.00 41.21 N ATOM 1135 CA ILE A 74 14.758 25.232 -3.874 1.00 3.32 C ATOM 1136 C ILE A 74 15.840 25.236 -4.949 1.00 10.44 C ATOM 1137 O ILE A 74 16.051 26.241 -5.629 1.00 62.51 O ATOM 1138 CB ILE A 74 13.376 25.249 -4.552 1.00 71.44 C ATOM 1139 CG1 ILE A 74 12.266 25.210 -3.500 1.00 23.43 C ATOM 1140 CG2 ILE A 74 13.244 24.076 -5.513 1.00 54.31 C ATOM 1141 CD1 ILE A 74 11.660 26.565 -3.210 1.00 24.02 C ATOM 0 H ILE A 74 14.067 26.898 -2.805 1.00 41.21 H new ATOM 0 HA ILE A 74 14.849 24.326 -3.275 1.00 3.32 H new ATOM 0 HB ILE A 74 13.278 26.174 -5.121 1.00 71.44 H new ATOM 0 HG12 ILE A 74 11.480 24.534 -3.838 1.00 23.43 H new ATOM 0 HG13 ILE A 74 12.667 24.795 -2.575 1.00 23.43 H new ATOM 0 HG21 ILE A 74 12.262 24.101 -5.985 1.00 54.31 H new ATOM 0 HG22 ILE A 74 14.016 24.144 -6.279 1.00 54.31 H new ATOM 0 HG23 ILE A 74 13.359 23.141 -4.964 1.00 54.31 H new ATOM 0 HD11 ILE A 74 10.880 26.461 -2.455 1.00 24.02 H new ATOM 0 HD12 ILE A 74 12.434 27.238 -2.842 1.00 24.02 H new ATOM 0 HD13 ILE A 74 11.228 26.974 -4.124 1.00 24.02 H new ATOM 1153 N LYS A 75 16.522 24.106 -5.098 1.00 3.12 N ATOM 1154 CA LYS A 75 17.581 23.976 -6.092 1.00 51.41 C ATOM 1155 C LYS A 75 17.089 24.407 -7.470 1.00 53.01 C ATOM 1156 O LYS A 75 17.820 25.041 -8.231 1.00 0.13 O ATOM 1157 CB LYS A 75 18.083 22.532 -6.147 1.00 24.03 C ATOM 1158 CG LYS A 75 17.012 21.530 -6.541 1.00 22.23 C ATOM 1159 CD LYS A 75 17.546 20.107 -6.523 1.00 51.34 C ATOM 1160 CE LYS A 75 18.573 19.884 -7.623 1.00 1.03 C ATOM 1161 NZ LYS A 75 18.988 18.457 -7.712 1.00 63.34 N ATOM 0 H LYS A 75 16.360 23.266 -4.543 1.00 3.12 H new ATOM 0 HA LYS A 75 18.403 24.629 -5.798 1.00 51.41 H new ATOM 0 HB2 LYS A 75 18.906 22.469 -6.858 1.00 24.03 H new ATOM 0 HB3 LYS A 75 18.483 22.258 -5.171 1.00 24.03 H new ATOM 0 HG2 LYS A 75 16.167 21.611 -5.857 1.00 22.23 H new ATOM 0 HG3 LYS A 75 16.639 21.767 -7.537 1.00 22.23 H new ATOM 0 HD2 LYS A 75 17.999 19.899 -5.553 1.00 51.34 H new ATOM 0 HD3 LYS A 75 16.721 19.406 -6.646 1.00 51.34 H new ATOM 0 HE2 LYS A 75 18.156 20.201 -8.579 1.00 1.03 H new ATOM 0 HE3 LYS A 75 19.448 20.506 -7.434 1.00 1.03 H new ATOM 0 HZ1 LYS A 75 19.688 18.346 -8.473 1.00 63.34 H new ATOM 0 HZ2 LYS A 75 19.409 18.161 -6.808 1.00 63.34 H new ATOM 0 HZ3 LYS A 75 18.157 17.866 -7.917 1.00 63.34 H new ATOM 1175 N SER A 76 15.845 24.060 -7.785 1.00 31.45 N ATOM 1176 CA SER A 76 15.256 24.408 -9.072 1.00 40.42 C ATOM 1177 C SER A 76 14.687 25.824 -9.044 1.00 34.54 C ATOM 1178 O SER A 76 13.990 26.241 -9.967 1.00 12.41 O ATOM 1179 CB SER A 76 14.156 23.411 -9.441 1.00 11.13 C ATOM 1180 OG SER A 76 13.905 23.421 -10.835 1.00 51.03 O ATOM 0 H SER A 76 15.225 23.538 -7.166 1.00 31.45 H new ATOM 0 HA SER A 76 16.042 24.365 -9.826 1.00 40.42 H new ATOM 0 HB2 SER A 76 14.450 22.409 -9.128 1.00 11.13 H new ATOM 0 HB3 SER A 76 13.241 23.658 -8.902 1.00 11.13 H new ATOM 0 HG SER A 76 13.840 24.347 -11.149 1.00 51.03 H new TER 1186 SER A 76