USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 484 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 LEU N :NH3+ 164:sc= 0.00212 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.473 X(o=0.47,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-1.8!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 10:sc= -0.67 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 161:sc= -0.0415 (180deg=-0.405) USER MOD Single : A 24 THR OG1 : rot -130:sc= -0.482 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc=-6.67e-05 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.8) USER MOD Single : A 37 ASN : amide:sc= -0.0591 K(o=-0.059,f=-1.9!) USER MOD Single : A 39 THR OG1 : rot 72:sc= 0.39 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot -49:sc= 0.341 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.729 1.795 2.036 1.00 51.54 N ATOM 2 CA LEU A 1 4.125 1.388 0.692 1.00 33.51 C ATOM 3 C LEU A 1 5.575 1.769 0.412 1.00 31.23 C ATOM 4 O LEU A 1 6.084 2.754 0.947 1.00 13.13 O ATOM 5 CB LEU A 1 3.206 2.030 -0.349 1.00 5.53 C ATOM 6 CG LEU A 1 2.439 1.066 -1.254 1.00 11.13 C ATOM 7 CD1 LEU A 1 1.511 1.832 -2.184 1.00 34.51 C ATOM 8 CD2 LEU A 1 3.404 0.202 -2.053 1.00 13.15 C ATOM 0 H1 LEU A 1 2.692 1.778 2.112 1.00 51.54 H new ATOM 0 H2 LEU A 1 4.138 1.139 2.732 1.00 51.54 H new ATOM 0 H3 LEU A 1 4.074 2.758 2.223 1.00 51.54 H new ATOM 0 HA LEU A 1 4.035 0.304 0.627 1.00 33.51 H new ATOM 0 HB2 LEU A 1 2.484 2.659 0.172 1.00 5.53 H new ATOM 0 HB3 LEU A 1 3.806 2.687 -0.978 1.00 5.53 H new ATOM 0 HG LEU A 1 1.833 0.413 -0.626 1.00 11.13 H new ATOM 0 HD11 LEU A 1 0.973 1.130 -2.821 1.00 34.51 H new ATOM 0 HD12 LEU A 1 0.797 2.406 -1.594 1.00 34.51 H new ATOM 0 HD13 LEU A 1 2.097 2.510 -2.805 1.00 34.51 H new ATOM 0 HD21 LEU A 1 2.840 -0.478 -2.692 1.00 13.15 H new ATOM 0 HD22 LEU A 1 4.037 0.839 -2.671 1.00 13.15 H new ATOM 0 HD23 LEU A 1 4.027 -0.375 -1.370 1.00 13.15 H new ATOM 20 N LYS A 2 6.236 0.983 -0.431 1.00 54.13 N ATOM 21 CA LYS A 2 7.626 1.239 -0.786 1.00 44.12 C ATOM 22 C LYS A 2 7.772 1.463 -2.288 1.00 23.10 C ATOM 23 O LYS A 2 7.179 0.745 -3.092 1.00 31.43 O ATOM 24 CB LYS A 2 8.510 0.070 -0.346 1.00 21.21 C ATOM 25 CG LYS A 2 8.525 -0.149 1.157 1.00 31.10 C ATOM 26 CD LYS A 2 9.095 -1.511 1.517 1.00 72.04 C ATOM 27 CE LYS A 2 10.297 -1.386 2.440 1.00 41.02 C ATOM 28 NZ LYS A 2 9.894 -1.336 3.872 1.00 13.04 N ATOM 0 H LYS A 2 5.830 0.163 -0.881 1.00 54.13 H new ATOM 0 HA LYS A 2 7.946 2.144 -0.269 1.00 44.12 H new ATOM 0 HB2 LYS A 2 8.163 -0.841 -0.834 1.00 21.21 H new ATOM 0 HB3 LYS A 2 9.529 0.247 -0.689 1.00 21.21 H new ATOM 0 HG2 LYS A 2 9.118 0.632 1.633 1.00 31.10 H new ATOM 0 HG3 LYS A 2 7.511 -0.063 1.548 1.00 31.10 H new ATOM 0 HD2 LYS A 2 8.325 -2.113 2.000 1.00 72.04 H new ATOM 0 HD3 LYS A 2 9.386 -2.037 0.608 1.00 72.04 H new ATOM 0 HE2 LYS A 2 10.967 -2.231 2.281 1.00 41.02 H new ATOM 0 HE3 LYS A 2 10.856 -0.485 2.188 1.00 41.02 H new ATOM 0 HZ1 LYS A 2 10.742 -1.251 4.468 1.00 13.04 H new ATOM 0 HZ2 LYS A 2 9.275 -0.515 4.030 1.00 13.04 H new ATOM 0 HZ3 LYS A 2 9.383 -2.207 4.119 1.00 13.04 H new ATOM 42 N GLU A 3 8.567 2.462 -2.658 1.00 53.44 N ATOM 43 CA GLU A 3 8.790 2.779 -4.064 1.00 61.12 C ATOM 44 C GLU A 3 9.827 3.888 -4.214 1.00 3.20 C ATOM 45 O GLU A 3 10.318 4.431 -3.225 1.00 55.41 O ATOM 46 CB GLU A 3 7.478 3.199 -4.730 1.00 41.11 C ATOM 47 CG GLU A 3 7.176 2.441 -6.012 1.00 31.14 C ATOM 48 CD GLU A 3 7.291 3.313 -7.247 1.00 12.34 C ATOM 49 OE1 GLU A 3 8.399 3.390 -7.817 1.00 23.11 O ATOM 50 OE2 GLU A 3 6.273 3.919 -7.642 1.00 44.35 O ATOM 0 H GLU A 3 9.067 3.065 -2.005 1.00 53.44 H new ATOM 0 HA GLU A 3 9.168 1.883 -4.556 1.00 61.12 H new ATOM 0 HB2 GLU A 3 6.659 3.048 -4.027 1.00 41.11 H new ATOM 0 HB3 GLU A 3 7.517 4.266 -4.949 1.00 41.11 H new ATOM 0 HG2 GLU A 3 7.862 1.599 -6.102 1.00 31.14 H new ATOM 0 HG3 GLU A 3 6.169 2.028 -5.956 1.00 31.14 H new ATOM 57 N ASN A 4 10.157 4.218 -5.459 1.00 15.34 N ATOM 58 CA ASN A 4 11.136 5.262 -5.739 1.00 21.31 C ATOM 59 C ASN A 4 10.477 6.459 -6.416 1.00 53.15 C ATOM 60 O ASN A 4 11.072 7.102 -7.282 1.00 22.54 O ATOM 61 CB ASN A 4 12.257 4.713 -6.625 1.00 13.52 C ATOM 62 CG ASN A 4 13.611 5.296 -6.271 1.00 2.33 C ATOM 63 OD1 ASN A 4 14.458 4.618 -5.689 1.00 44.23 O ATOM 64 ND2 ASN A 4 13.821 6.560 -6.621 1.00 2.04 N ATOM 0 H ASN A 4 9.761 3.778 -6.289 1.00 15.34 H new ATOM 0 HA ASN A 4 11.560 5.593 -4.791 1.00 21.31 H new ATOM 0 HB2 ASN A 4 12.295 3.628 -6.528 1.00 13.52 H new ATOM 0 HB3 ASN A 4 12.032 4.932 -7.669 1.00 13.52 H new ATOM 0 HD21 ASN A 4 14.713 7.007 -6.409 1.00 2.04 H new ATOM 0 HD22 ASN A 4 13.090 7.084 -7.102 1.00 2.04 H new ATOM 71 N ASP A 5 9.245 6.753 -6.017 1.00 15.32 N ATOM 72 CA ASP A 5 8.504 7.875 -6.584 1.00 21.54 C ATOM 73 C ASP A 5 7.369 8.299 -5.658 1.00 15.52 C ATOM 74 O ASP A 5 7.450 9.332 -4.991 1.00 62.41 O ATOM 75 CB ASP A 5 7.946 7.502 -7.958 1.00 11.10 C ATOM 76 CG ASP A 5 8.728 8.136 -9.092 1.00 12.04 C ATOM 77 OD1 ASP A 5 8.473 9.320 -9.399 1.00 61.53 O ATOM 78 OD2 ASP A 5 9.595 7.449 -9.671 1.00 11.14 O ATOM 0 H ASP A 5 8.738 6.230 -5.303 1.00 15.32 H new ATOM 0 HA ASP A 5 9.191 8.714 -6.695 1.00 21.54 H new ATOM 0 HB2 ASP A 5 7.962 6.418 -8.071 1.00 11.10 H new ATOM 0 HB3 ASP A 5 6.903 7.814 -8.020 1.00 11.10 H new ATOM 83 N HIS A 6 6.309 7.497 -5.622 1.00 40.43 N ATOM 84 CA HIS A 6 5.156 7.791 -4.778 1.00 60.24 C ATOM 85 C HIS A 6 5.562 7.860 -3.309 1.00 74.32 C ATOM 86 O HIS A 6 5.044 8.679 -2.550 1.00 64.24 O ATOM 87 CB HIS A 6 4.073 6.729 -4.971 1.00 70.13 C ATOM 88 CG HIS A 6 2.750 7.109 -4.382 1.00 13.12 C ATOM 89 ND1 HIS A 6 2.205 8.370 -4.506 1.00 32.22 N ATOM 90 CD2 HIS A 6 1.860 6.386 -3.662 1.00 63.44 C ATOM 91 CE1 HIS A 6 1.038 8.406 -3.887 1.00 24.33 C ATOM 92 NE2 HIS A 6 0.806 7.214 -3.367 1.00 33.02 N ATOM 0 H HIS A 6 6.225 6.639 -6.167 1.00 40.43 H new ATOM 0 HA HIS A 6 4.759 8.762 -5.073 1.00 60.24 H new ATOM 0 HB2 HIS A 6 3.946 6.541 -6.037 1.00 70.13 H new ATOM 0 HB3 HIS A 6 4.407 5.795 -4.520 1.00 70.13 H new ATOM 0 HD2 HIS A 6 1.961 5.350 -3.373 1.00 63.44 H new ATOM 0 HE1 HIS A 6 0.385 9.264 -3.818 1.00 24.33 H new ATOM 0 HE2 HIS A 6 -0.022 6.952 -2.833 1.00 33.02 H new ATOM 100 N ALA A 7 6.490 6.994 -2.915 1.00 74.33 N ATOM 101 CA ALA A 7 6.965 6.957 -1.538 1.00 0.51 C ATOM 102 C ALA A 7 7.482 8.323 -1.099 1.00 52.54 C ATOM 103 O ALA A 7 7.055 8.860 -0.077 1.00 0.11 O ATOM 104 CB ALA A 7 8.053 5.905 -1.382 1.00 74.25 C ATOM 0 H ALA A 7 6.928 6.309 -3.531 1.00 74.33 H new ATOM 0 HA ALA A 7 6.124 6.692 -0.897 1.00 0.51 H new ATOM 0 HB1 ALA A 7 8.398 5.889 -0.348 1.00 74.25 H new ATOM 0 HB2 ALA A 7 7.653 4.926 -1.646 1.00 74.25 H new ATOM 0 HB3 ALA A 7 8.888 6.145 -2.040 1.00 74.25 H new ATOM 110 N ARG A 8 8.403 8.880 -1.879 1.00 2.45 N ATOM 111 CA ARG A 8 8.979 10.183 -1.569 1.00 5.31 C ATOM 112 C ARG A 8 7.895 11.255 -1.502 1.00 5.22 C ATOM 113 O ARG A 8 7.864 12.064 -0.574 1.00 71.10 O ATOM 114 CB ARG A 8 10.025 10.565 -2.619 1.00 33.13 C ATOM 115 CG ARG A 8 10.497 12.006 -2.512 1.00 24.51 C ATOM 116 CD ARG A 8 11.198 12.265 -1.188 1.00 4.14 C ATOM 117 NE ARG A 8 12.213 13.309 -1.301 1.00 3.11 N ATOM 118 CZ ARG A 8 13.432 13.100 -1.787 1.00 32.12 C ATOM 119 NH1 ARG A 8 13.785 11.891 -2.203 1.00 12.43 N ATOM 120 NH2 ARG A 8 14.300 14.101 -1.858 1.00 71.10 N ATOM 0 H ARG A 8 8.766 8.450 -2.730 1.00 2.45 H new ATOM 0 HA ARG A 8 9.461 10.116 -0.593 1.00 5.31 H new ATOM 0 HB2 ARG A 8 10.885 9.902 -2.521 1.00 33.13 H new ATOM 0 HB3 ARG A 8 9.607 10.401 -3.612 1.00 33.13 H new ATOM 0 HG2 ARG A 8 11.176 12.230 -3.335 1.00 24.51 H new ATOM 0 HG3 ARG A 8 9.644 12.678 -2.611 1.00 24.51 H new ATOM 0 HD2 ARG A 8 10.462 12.555 -0.439 1.00 4.14 H new ATOM 0 HD3 ARG A 8 11.663 11.344 -0.838 1.00 4.14 H new ATOM 0 HE ARG A 8 11.973 14.250 -0.990 1.00 3.11 H new ATOM 0 HH11 ARG A 8 13.120 11.119 -2.150 1.00 12.43 H new ATOM 0 HH12 ARG A 8 14.721 11.733 -2.576 1.00 12.43 H new ATOM 0 HH21 ARG A 8 14.032 15.032 -1.539 1.00 71.10 H new ATOM 0 HH22 ARG A 8 15.235 13.939 -2.231 1.00 71.10 H new ATOM 134 N PHE A 9 7.009 11.255 -2.492 1.00 11.52 N ATOM 135 CA PHE A 9 5.924 12.229 -2.546 1.00 62.43 C ATOM 136 C PHE A 9 5.048 12.136 -1.301 1.00 14.33 C ATOM 137 O PHE A 9 4.614 13.152 -0.756 1.00 0.41 O ATOM 138 CB PHE A 9 5.074 12.007 -3.799 1.00 44.12 C ATOM 139 CG PHE A 9 5.446 12.907 -4.943 1.00 1.34 C ATOM 140 CD1 PHE A 9 6.755 13.328 -5.113 1.00 1.41 C ATOM 141 CD2 PHE A 9 4.486 13.333 -5.847 1.00 24.02 C ATOM 142 CE1 PHE A 9 7.101 14.157 -6.164 1.00 73.42 C ATOM 143 CE2 PHE A 9 4.826 14.161 -6.900 1.00 61.32 C ATOM 144 CZ PHE A 9 6.135 14.574 -7.058 1.00 55.04 C ATOM 0 H PHE A 9 7.020 10.592 -3.267 1.00 11.52 H new ATOM 0 HA PHE A 9 6.364 13.225 -2.585 1.00 62.43 H new ATOM 0 HB2 PHE A 9 5.173 10.969 -4.117 1.00 44.12 H new ATOM 0 HB3 PHE A 9 4.025 12.165 -3.549 1.00 44.12 H new ATOM 0 HD1 PHE A 9 7.514 13.005 -4.416 1.00 1.41 H new ATOM 0 HD2 PHE A 9 3.461 13.015 -5.727 1.00 24.02 H new ATOM 0 HE1 PHE A 9 8.125 14.478 -6.285 1.00 73.42 H new ATOM 0 HE2 PHE A 9 4.069 14.485 -7.599 1.00 61.32 H new ATOM 0 HZ PHE A 9 6.402 15.222 -7.880 1.00 55.04 H new ATOM 154 N LEU A 10 4.790 10.912 -0.855 1.00 61.54 N ATOM 155 CA LEU A 10 3.965 10.685 0.326 1.00 72.41 C ATOM 156 C LEU A 10 4.705 11.096 1.595 1.00 51.25 C ATOM 157 O LEU A 10 4.220 11.923 2.366 1.00 34.34 O ATOM 158 CB LEU A 10 3.559 9.212 0.413 1.00 13.45 C ATOM 159 CG LEU A 10 2.075 8.939 0.662 1.00 51.01 C ATOM 160 CD1 LEU A 10 1.564 7.865 -0.286 1.00 21.22 C ATOM 161 CD2 LEU A 10 1.843 8.530 2.109 1.00 11.22 C ATOM 0 H LEU A 10 5.141 10.061 -1.294 1.00 61.54 H new ATOM 0 HA LEU A 10 3.068 11.298 0.236 1.00 72.41 H new ATOM 0 HB2 LEU A 10 3.847 8.721 -0.516 1.00 13.45 H new ATOM 0 HB3 LEU A 10 4.133 8.744 1.213 1.00 13.45 H new ATOM 0 HG LEU A 10 1.519 9.857 0.472 1.00 51.01 H new ATOM 0 HD11 LEU A 10 0.506 7.684 -0.094 1.00 21.22 H new ATOM 0 HD12 LEU A 10 1.695 8.197 -1.316 1.00 21.22 H new ATOM 0 HD13 LEU A 10 2.124 6.944 -0.128 1.00 21.22 H new ATOM 0 HD21 LEU A 10 0.782 8.340 2.268 1.00 11.22 H new ATOM 0 HD22 LEU A 10 2.410 7.625 2.327 1.00 11.22 H new ATOM 0 HD23 LEU A 10 2.171 9.332 2.771 1.00 11.22 H new ATOM 173 N GLN A 11 5.882 10.515 1.801 1.00 3.33 N ATOM 174 CA GLN A 11 6.690 10.823 2.976 1.00 53.33 C ATOM 175 C GLN A 11 6.995 12.316 3.050 1.00 23.30 C ATOM 176 O GLN A 11 7.166 12.873 4.135 1.00 31.31 O ATOM 177 CB GLN A 11 7.994 10.024 2.948 1.00 11.40 C ATOM 178 CG GLN A 11 8.365 9.419 4.292 1.00 30.30 C ATOM 179 CD GLN A 11 9.687 8.678 4.253 1.00 31.41 C ATOM 180 OE1 GLN A 11 10.748 9.284 4.102 1.00 53.41 O ATOM 181 NE2 GLN A 11 9.630 7.358 4.390 1.00 4.01 N ATOM 0 H GLN A 11 6.298 9.829 1.171 1.00 3.33 H new ATOM 0 HA GLN A 11 6.120 10.543 3.862 1.00 53.33 H new ATOM 0 HB2 GLN A 11 7.905 9.225 2.211 1.00 11.40 H new ATOM 0 HB3 GLN A 11 8.803 10.675 2.616 1.00 11.40 H new ATOM 0 HG2 GLN A 11 8.418 10.210 5.040 1.00 30.30 H new ATOM 0 HG3 GLN A 11 7.578 8.734 4.608 1.00 30.30 H new ATOM 0 HE21 GLN A 11 8.729 6.896 4.513 1.00 4.01 H new ATOM 0 HE22 GLN A 11 10.487 6.806 4.372 1.00 4.01 H new ATOM 190 N THR A 12 7.064 12.959 1.889 1.00 52.42 N ATOM 191 CA THR A 12 7.350 14.387 1.822 1.00 64.32 C ATOM 192 C THR A 12 6.129 15.212 2.212 1.00 64.40 C ATOM 193 O THR A 12 6.185 16.021 3.137 1.00 3.21 O ATOM 194 CB THR A 12 7.807 14.802 0.411 1.00 41.53 C ATOM 195 OG1 THR A 12 9.144 14.346 0.174 1.00 55.01 O ATOM 196 CG2 THR A 12 7.745 16.313 0.245 1.00 0.40 C ATOM 0 H THR A 12 6.926 12.514 0.982 1.00 52.42 H new ATOM 0 HA THR A 12 8.156 14.581 2.529 1.00 64.32 H new ATOM 0 HB THR A 12 7.134 14.344 -0.314 1.00 41.53 H new ATOM 0 HG1 THR A 12 9.415 13.739 0.894 1.00 55.01 H new ATOM 0 HG21 THR A 12 8.072 16.582 -0.759 1.00 0.40 H new ATOM 0 HG22 THR A 12 6.721 16.654 0.397 1.00 0.40 H new ATOM 0 HG23 THR A 12 8.397 16.787 0.979 1.00 0.40 H new ATOM 204 N ALA A 13 5.027 15.000 1.501 1.00 15.32 N ATOM 205 CA ALA A 13 3.791 15.723 1.776 1.00 74.35 C ATOM 206 C ALA A 13 3.419 15.634 3.252 1.00 41.02 C ATOM 207 O ALA A 13 2.906 16.591 3.832 1.00 35.33 O ATOM 208 CB ALA A 13 2.661 15.183 0.912 1.00 73.35 C ATOM 0 H ALA A 13 4.964 14.334 0.731 1.00 15.32 H new ATOM 0 HA ALA A 13 3.952 16.773 1.532 1.00 74.35 H new ATOM 0 HB1 ALA A 13 1.744 15.732 1.127 1.00 73.35 H new ATOM 0 HB2 ALA A 13 2.918 15.304 -0.140 1.00 73.35 H new ATOM 0 HB3 ALA A 13 2.510 14.125 1.129 1.00 73.35 H new ATOM 214 N LYS A 14 3.681 14.479 3.855 1.00 40.33 N ATOM 215 CA LYS A 14 3.375 14.265 5.264 1.00 31.30 C ATOM 216 C LYS A 14 4.375 14.995 6.155 1.00 32.42 C ATOM 217 O LYS A 14 3.992 15.673 7.107 1.00 12.12 O ATOM 218 CB LYS A 14 3.385 12.769 5.587 1.00 33.12 C ATOM 219 CG LYS A 14 2.025 12.225 5.991 1.00 3.13 C ATOM 220 CD LYS A 14 1.428 11.351 4.901 1.00 13.23 C ATOM 221 CE LYS A 14 -0.091 11.321 4.981 1.00 21.33 C ATOM 222 NZ LYS A 14 -0.720 11.454 3.638 1.00 22.20 N ATOM 0 H LYS A 14 4.105 13.677 3.389 1.00 40.33 H new ATOM 0 HA LYS A 14 2.381 14.666 5.460 1.00 31.30 H new ATOM 0 HB2 LYS A 14 3.742 12.220 4.716 1.00 33.12 H new ATOM 0 HB3 LYS A 14 4.095 12.585 6.393 1.00 33.12 H new ATOM 0 HG2 LYS A 14 2.122 11.647 6.910 1.00 3.13 H new ATOM 0 HG3 LYS A 14 1.350 13.053 6.205 1.00 3.13 H new ATOM 0 HD2 LYS A 14 1.735 11.725 3.924 1.00 13.23 H new ATOM 0 HD3 LYS A 14 1.818 10.337 4.991 1.00 13.23 H new ATOM 0 HE2 LYS A 14 -0.412 10.387 5.441 1.00 21.33 H new ATOM 0 HE3 LYS A 14 -0.437 12.129 5.626 1.00 21.33 H new ATOM 0 HZ1 LYS A 14 -1.755 11.429 3.735 1.00 22.20 H new ATOM 0 HZ2 LYS A 14 -0.434 12.357 3.209 1.00 22.20 H new ATOM 0 HZ3 LYS A 14 -0.410 10.669 3.030 1.00 22.20 H new ATOM 236 N ASN A 15 5.658 14.851 5.839 1.00 54.25 N ATOM 237 CA ASN A 15 6.712 15.498 6.611 1.00 44.15 C ATOM 238 C ASN A 15 6.500 17.008 6.663 1.00 20.02 C ATOM 239 O ASN A 15 6.951 17.676 7.594 1.00 41.20 O ATOM 240 CB ASN A 15 8.082 15.185 6.004 1.00 11.22 C ATOM 241 CG ASN A 15 9.224 15.625 6.899 1.00 5.30 C ATOM 242 OD1 ASN A 15 9.242 15.327 8.093 1.00 5.34 O ATOM 243 ND2 ASN A 15 10.185 16.339 6.324 1.00 64.34 N ATOM 0 H ASN A 15 5.992 14.292 5.054 1.00 54.25 H new ATOM 0 HA ASN A 15 6.674 15.109 7.628 1.00 44.15 H new ATOM 0 HB2 ASN A 15 8.159 14.113 5.821 1.00 11.22 H new ATOM 0 HB3 ASN A 15 8.170 15.680 5.037 1.00 11.22 H new ATOM 0 HD21 ASN A 15 10.979 16.663 6.876 1.00 64.34 H new ATOM 0 HD22 ASN A 15 10.129 16.563 5.330 1.00 64.34 H new ATOM 250 N ILE A 16 5.810 17.538 5.659 1.00 44.21 N ATOM 251 CA ILE A 16 5.537 18.968 5.592 1.00 52.42 C ATOM 252 C ILE A 16 4.507 19.381 6.638 1.00 31.31 C ATOM 253 O ILE A 16 4.752 20.274 7.449 1.00 1.33 O ATOM 254 CB ILE A 16 5.028 19.380 4.197 1.00 24.54 C ATOM 255 CG1 ILE A 16 6.090 19.084 3.136 1.00 42.40 C ATOM 256 CG2 ILE A 16 4.654 20.854 4.184 1.00 74.11 C ATOM 257 CD1 ILE A 16 5.512 18.781 1.771 1.00 24.55 C ATOM 0 H ILE A 16 5.430 16.999 4.881 1.00 44.21 H new ATOM 0 HA ILE A 16 6.479 19.478 5.792 1.00 52.42 H new ATOM 0 HB ILE A 16 4.136 18.798 3.964 1.00 24.54 H new ATOM 0 HG12 ILE A 16 6.761 19.940 3.056 1.00 42.40 H new ATOM 0 HG13 ILE A 16 6.692 18.236 3.463 1.00 42.40 H new ATOM 0 HG21 ILE A 16 4.296 21.130 3.192 1.00 74.11 H new ATOM 0 HG22 ILE A 16 3.868 21.036 4.917 1.00 74.11 H new ATOM 0 HG23 ILE A 16 5.529 21.454 4.434 1.00 74.11 H new ATOM 0 HD11 ILE A 16 6.322 18.581 1.069 1.00 24.55 H new ATOM 0 HD12 ILE A 16 4.864 17.907 1.836 1.00 24.55 H new ATOM 0 HD13 ILE A 16 4.933 19.637 1.423 1.00 24.55 H new ATOM 269 N THR A 17 3.352 18.722 6.616 1.00 41.24 N ATOM 270 CA THR A 17 2.284 19.019 7.562 1.00 4.11 C ATOM 271 C THR A 17 2.627 18.506 8.956 1.00 31.30 C ATOM 272 O THR A 17 2.038 18.936 9.947 1.00 4.22 O ATOM 273 CB THR A 17 0.947 18.399 7.113 1.00 5.53 C ATOM 274 OG1 THR A 17 0.956 18.190 5.697 1.00 55.22 O ATOM 275 CG2 THR A 17 -0.220 19.299 7.492 1.00 63.24 C ATOM 0 H THR A 17 3.133 17.979 5.953 1.00 41.24 H new ATOM 0 HA THR A 17 2.180 20.104 7.592 1.00 4.11 H new ATOM 0 HB THR A 17 0.826 17.442 7.620 1.00 5.53 H new ATOM 0 HG1 THR A 17 0.104 17.794 5.419 1.00 55.22 H new ATOM 0 HG21 THR A 17 -1.154 18.841 7.165 1.00 63.24 H new ATOM 0 HG22 THR A 17 -0.240 19.432 8.574 1.00 63.24 H new ATOM 0 HG23 THR A 17 -0.103 20.269 7.009 1.00 63.24 H new ATOM 283 N GLU A 18 3.582 17.584 9.024 1.00 24.01 N ATOM 284 CA GLU A 18 4.002 17.013 10.298 1.00 23.42 C ATOM 285 C GLU A 18 5.014 17.919 10.994 1.00 60.31 C ATOM 286 O GLU A 18 5.081 17.964 12.222 1.00 11.03 O ATOM 287 CB GLU A 18 4.607 15.623 10.085 1.00 43.51 C ATOM 288 CG GLU A 18 3.571 14.537 9.852 1.00 13.31 C ATOM 289 CD GLU A 18 3.183 13.817 11.129 1.00 1.41 C ATOM 290 OE1 GLU A 18 2.634 14.476 12.037 1.00 32.22 O ATOM 291 OE2 GLU A 18 3.429 12.597 11.221 1.00 70.42 O ATOM 0 H GLU A 18 4.079 17.217 8.212 1.00 24.01 H new ATOM 0 HA GLU A 18 3.122 16.925 10.935 1.00 23.42 H new ATOM 0 HB2 GLU A 18 5.283 15.657 9.231 1.00 43.51 H new ATOM 0 HB3 GLU A 18 5.207 15.360 10.956 1.00 43.51 H new ATOM 0 HG2 GLU A 18 2.681 14.979 9.404 1.00 13.31 H new ATOM 0 HG3 GLU A 18 3.963 13.814 9.136 1.00 13.31 H new ATOM 298 N ARG A 19 5.800 18.638 10.199 1.00 13.02 N ATOM 299 CA ARG A 19 6.809 19.542 10.738 1.00 63.45 C ATOM 300 C ARG A 19 6.173 20.841 11.221 1.00 2.44 C ATOM 301 O ARG A 19 6.625 21.440 12.198 1.00 50.35 O ATOM 302 CB ARG A 19 7.871 19.844 9.678 1.00 55.20 C ATOM 303 CG ARG A 19 9.175 20.368 10.255 1.00 3.22 C ATOM 304 CD ARG A 19 9.692 21.563 9.469 1.00 64.32 C ATOM 305 NE ARG A 19 11.023 21.974 9.909 1.00 32.44 N ATOM 306 CZ ARG A 19 12.138 21.338 9.570 1.00 65.32 C ATOM 307 NH1 ARG A 19 12.084 20.267 8.789 1.00 10.32 N ATOM 308 NH2 ARG A 19 13.312 21.773 10.011 1.00 70.43 N ATOM 0 H ARG A 19 5.758 18.612 9.180 1.00 13.02 H new ATOM 0 HA ARG A 19 7.283 19.052 11.589 1.00 63.45 H new ATOM 0 HB2 ARG A 19 8.074 18.936 9.110 1.00 55.20 H new ATOM 0 HB3 ARG A 19 7.473 20.577 8.976 1.00 55.20 H new ATOM 0 HG2 ARG A 19 9.025 20.653 11.296 1.00 3.22 H new ATOM 0 HG3 ARG A 19 9.923 19.575 10.247 1.00 3.22 H new ATOM 0 HD2 ARG A 19 9.722 21.314 8.408 1.00 64.32 H new ATOM 0 HD3 ARG A 19 9.000 22.397 9.581 1.00 64.32 H new ATOM 0 HE ARG A 19 11.100 22.795 10.510 1.00 32.44 H new ATOM 0 HH11 ARG A 19 11.184 19.930 8.447 1.00 10.32 H new ATOM 0 HH12 ARG A 19 12.942 19.781 8.530 1.00 10.32 H new ATOM 0 HH21 ARG A 19 13.358 22.597 10.611 1.00 70.43 H new ATOM 0 HH22 ARG A 19 14.168 21.284 9.750 1.00 70.43 H new ATOM 322 N VAL A 20 5.122 21.272 10.531 1.00 11.55 N ATOM 323 CA VAL A 20 4.423 22.501 10.891 1.00 61.42 C ATOM 324 C VAL A 20 3.664 22.337 12.202 1.00 15.15 C ATOM 325 O VAL A 20 3.611 23.256 13.020 1.00 24.32 O ATOM 326 CB VAL A 20 3.436 22.928 9.788 1.00 32.44 C ATOM 327 CG1 VAL A 20 2.435 21.817 9.508 1.00 21.10 C ATOM 328 CG2 VAL A 20 2.722 24.213 10.181 1.00 24.52 C ATOM 0 H VAL A 20 4.736 20.789 9.720 1.00 11.55 H new ATOM 0 HA VAL A 20 5.182 23.275 11.009 1.00 61.42 H new ATOM 0 HB VAL A 20 3.999 23.117 8.874 1.00 32.44 H new ATOM 0 HG11 VAL A 20 1.746 22.137 8.726 1.00 21.10 H new ATOM 0 HG12 VAL A 20 2.966 20.923 9.181 1.00 21.10 H new ATOM 0 HG13 VAL A 20 1.875 21.594 10.416 1.00 21.10 H new ATOM 0 HG21 VAL A 20 2.029 24.500 9.391 1.00 24.52 H new ATOM 0 HG22 VAL A 20 2.170 24.054 11.108 1.00 24.52 H new ATOM 0 HG23 VAL A 20 3.455 25.007 10.327 1.00 24.52 H new ATOM 338 N SER A 21 3.076 21.161 12.397 1.00 31.20 N ATOM 339 CA SER A 21 2.316 20.877 13.609 1.00 53.24 C ATOM 340 C SER A 21 3.236 20.810 14.824 1.00 74.21 C ATOM 341 O SER A 21 2.997 21.472 15.834 1.00 63.34 O ATOM 342 CB SER A 21 1.551 19.560 13.460 1.00 42.41 C ATOM 343 OG SER A 21 1.072 19.104 14.713 1.00 5.22 O ATOM 0 H SER A 21 3.111 20.389 11.731 1.00 31.20 H new ATOM 0 HA SER A 21 1.603 21.688 13.760 1.00 53.24 H new ATOM 0 HB2 SER A 21 0.714 19.697 12.775 1.00 42.41 H new ATOM 0 HB3 SER A 21 2.202 18.805 13.020 1.00 42.41 H new ATOM 0 HG SER A 21 0.586 18.262 14.591 1.00 5.22 H new ATOM 349 N MET A 22 4.288 20.005 14.718 1.00 73.23 N ATOM 350 CA MET A 22 5.245 19.851 15.807 1.00 11.12 C ATOM 351 C MET A 22 5.808 21.204 16.231 1.00 62.12 C ATOM 352 O MET A 22 5.952 21.482 17.421 1.00 31.50 O ATOM 353 CB MET A 22 6.384 18.920 15.386 1.00 11.44 C ATOM 354 CG MET A 22 7.274 18.489 16.541 1.00 40.14 C ATOM 355 SD MET A 22 8.681 17.499 16.000 1.00 32.03 S ATOM 356 CE MET A 22 9.655 18.734 15.144 1.00 2.10 C ATOM 0 H MET A 22 4.499 19.449 13.889 1.00 73.23 H new ATOM 0 HA MET A 22 4.723 19.412 16.657 1.00 11.12 H new ATOM 0 HB2 MET A 22 5.962 18.033 14.913 1.00 11.44 H new ATOM 0 HB3 MET A 22 6.994 19.422 14.635 1.00 11.44 H new ATOM 0 HG2 MET A 22 7.637 19.373 17.065 1.00 40.14 H new ATOM 0 HG3 MET A 22 6.684 17.915 17.255 1.00 40.14 H new ATOM 0 HE1 MET A 22 10.683 18.384 15.048 1.00 2.10 H new ATOM 0 HE2 MET A 22 9.236 18.905 14.153 1.00 2.10 H new ATOM 0 HE3 MET A 22 9.640 19.665 15.710 1.00 2.10 H new ATOM 366 N ALA A 23 6.126 22.041 15.249 1.00 15.50 N ATOM 367 CA ALA A 23 6.671 23.365 15.521 1.00 43.42 C ATOM 368 C ALA A 23 5.732 24.175 16.409 1.00 61.24 C ATOM 369 O ALA A 23 6.151 24.745 17.417 1.00 74.21 O ATOM 370 CB ALA A 23 6.937 24.105 14.218 1.00 74.33 C ATOM 0 H ALA A 23 6.016 21.826 14.258 1.00 15.50 H new ATOM 0 HA ALA A 23 7.614 23.239 16.054 1.00 43.42 H new ATOM 0 HB1 ALA A 23 7.344 25.092 14.437 1.00 74.33 H new ATOM 0 HB2 ALA A 23 7.653 23.542 13.619 1.00 74.33 H new ATOM 0 HB3 ALA A 23 6.005 24.211 13.663 1.00 74.33 H new ATOM 376 N THR A 24 4.459 24.222 16.028 1.00 43.24 N ATOM 377 CA THR A 24 3.461 24.963 16.788 1.00 50.41 C ATOM 378 C THR A 24 3.442 24.522 18.247 1.00 50.31 C ATOM 379 O THR A 24 3.428 25.352 19.156 1.00 71.22 O ATOM 380 CB THR A 24 2.053 24.784 16.191 1.00 75.43 C ATOM 381 OG1 THR A 24 2.147 24.262 14.861 1.00 63.53 O ATOM 382 CG2 THR A 24 1.301 26.106 16.169 1.00 32.05 C ATOM 0 H THR A 24 4.095 23.755 15.197 1.00 43.24 H new ATOM 0 HA THR A 24 3.739 26.015 16.733 1.00 50.41 H new ATOM 0 HB THR A 24 1.504 24.082 16.819 1.00 75.43 H new ATOM 0 HG1 THR A 24 1.600 24.806 14.257 1.00 63.53 H new ATOM 0 HG21 THR A 24 0.309 25.953 15.743 1.00 32.05 H new ATOM 0 HG22 THR A 24 1.204 26.487 17.186 1.00 32.05 H new ATOM 0 HG23 THR A 24 1.850 26.827 15.562 1.00 32.05 H new ATOM 390 N ALA A 25 3.442 23.211 18.464 1.00 44.11 N ATOM 391 CA ALA A 25 3.428 22.660 19.813 1.00 0.23 C ATOM 392 C ALA A 25 4.725 22.978 20.550 1.00 52.30 C ATOM 393 O ALA A 25 4.816 22.811 21.766 1.00 21.20 O ATOM 394 CB ALA A 25 3.200 21.157 19.767 1.00 22.50 C ATOM 0 H ALA A 25 3.452 22.511 17.722 1.00 44.11 H new ATOM 0 HA ALA A 25 2.607 23.124 20.360 1.00 0.23 H new ATOM 0 HB1 ALA A 25 3.192 20.759 20.782 1.00 22.50 H new ATOM 0 HB2 ALA A 25 2.243 20.949 19.288 1.00 22.50 H new ATOM 0 HB3 ALA A 25 4.001 20.685 19.198 1.00 22.50 H new ATOM 400 N SER A 26 5.726 23.437 19.805 1.00 13.14 N ATOM 401 CA SER A 26 7.019 23.774 20.388 1.00 44.33 C ATOM 402 C SER A 26 7.104 25.266 20.697 1.00 72.03 C ATOM 403 O SER A 26 7.530 25.663 21.781 1.00 12.40 O ATOM 404 CB SER A 26 8.150 23.374 19.438 1.00 71.21 C ATOM 405 OG SER A 26 9.126 22.594 20.107 1.00 51.20 O ATOM 0 H SER A 26 5.666 23.584 18.797 1.00 13.14 H new ATOM 0 HA SER A 26 7.124 23.221 21.321 1.00 44.33 H new ATOM 0 HB2 SER A 26 7.742 22.810 18.599 1.00 71.21 H new ATOM 0 HB3 SER A 26 8.616 24.269 19.025 1.00 71.21 H new ATOM 0 HG SER A 26 9.837 22.350 19.478 1.00 51.20 H new ATOM 411 N SER A 27 6.695 26.087 19.735 1.00 52.22 N ATOM 412 CA SER A 27 6.727 27.535 19.901 1.00 3.52 C ATOM 413 C SER A 27 5.821 27.971 21.049 1.00 62.11 C ATOM 414 O SER A 27 5.928 29.091 21.546 1.00 1.43 O ATOM 415 CB SER A 27 6.298 28.229 18.607 1.00 61.55 C ATOM 416 OG SER A 27 6.037 29.604 18.827 1.00 64.15 O ATOM 0 H SER A 27 6.338 25.774 18.832 1.00 52.22 H new ATOM 0 HA SER A 27 7.751 27.825 20.138 1.00 3.52 H new ATOM 0 HB2 SER A 27 7.080 28.120 17.856 1.00 61.55 H new ATOM 0 HB3 SER A 27 5.405 27.745 18.210 1.00 61.55 H new ATOM 0 HG SER A 27 5.766 30.025 17.984 1.00 64.15 H new ATOM 422 N GLN A 28 4.930 27.076 21.463 1.00 1.11 N ATOM 423 CA GLN A 28 4.005 27.368 22.552 1.00 74.35 C ATOM 424 C GLN A 28 2.974 28.408 22.126 1.00 50.13 C ATOM 425 O GLN A 28 2.902 29.496 22.698 1.00 73.22 O ATOM 426 CB GLN A 28 4.769 27.863 23.780 1.00 2.13 C ATOM 427 CG GLN A 28 4.031 27.635 25.089 1.00 34.32 C ATOM 428 CD GLN A 28 4.912 27.854 26.303 1.00 42.42 C ATOM 429 OE1 GLN A 28 4.771 28.849 27.015 1.00 44.11 O ATOM 430 NE2 GLN A 28 5.829 26.924 26.545 1.00 15.54 N ATOM 0 H GLN A 28 4.829 26.144 21.062 1.00 1.11 H new ATOM 0 HA GLN A 28 3.481 26.447 22.807 1.00 74.35 H new ATOM 0 HB2 GLN A 28 5.734 27.359 23.824 1.00 2.13 H new ATOM 0 HB3 GLN A 28 4.971 28.928 23.667 1.00 2.13 H new ATOM 0 HG2 GLN A 28 3.175 28.307 25.141 1.00 34.32 H new ATOM 0 HG3 GLN A 28 3.639 26.618 25.108 1.00 34.32 H new ATOM 0 HE21 GLN A 28 5.911 26.116 25.928 1.00 15.54 H new ATOM 0 HE22 GLN A 28 6.452 27.018 27.347 1.00 15.54 H new ATOM 439 N VAL A 29 2.178 28.067 21.117 1.00 10.12 N ATOM 440 CA VAL A 29 1.150 28.971 20.615 1.00 45.42 C ATOM 441 C VAL A 29 -0.237 28.352 20.743 1.00 2.30 C ATOM 442 O VAL A 29 -1.249 29.021 20.532 1.00 53.41 O ATOM 443 CB VAL A 29 1.401 29.342 19.141 1.00 11.20 C ATOM 444 CG1 VAL A 29 0.466 30.460 18.705 1.00 75.51 C ATOM 445 CG2 VAL A 29 2.854 29.740 18.932 1.00 42.22 C ATOM 0 H VAL A 29 2.226 27.171 20.631 1.00 10.12 H new ATOM 0 HA VAL A 29 1.198 29.874 21.223 1.00 45.42 H new ATOM 0 HB VAL A 29 1.195 28.467 18.524 1.00 11.20 H new ATOM 0 HG11 VAL A 29 0.658 30.709 17.661 1.00 75.51 H new ATOM 0 HG12 VAL A 29 -0.568 30.134 18.816 1.00 75.51 H new ATOM 0 HG13 VAL A 29 0.637 31.340 19.325 1.00 75.51 H new ATOM 0 HG21 VAL A 29 3.013 29.999 17.885 1.00 42.22 H new ATOM 0 HG22 VAL A 29 3.089 30.600 19.558 1.00 42.22 H new ATOM 0 HG23 VAL A 29 3.502 28.906 19.202 1.00 42.22 H new ATOM 455 N LEU A 30 -0.277 27.071 21.091 1.00 62.12 N ATOM 456 CA LEU A 30 -1.541 26.360 21.248 1.00 21.13 C ATOM 457 C LEU A 30 -2.210 26.725 22.570 1.00 62.33 C ATOM 458 O LEU A 30 -2.433 25.864 23.422 1.00 54.24 O ATOM 459 CB LEU A 30 -1.311 24.849 21.180 1.00 41.21 C ATOM 460 CG LEU A 30 -0.919 24.291 19.811 1.00 0.23 C ATOM 461 CD1 LEU A 30 0.569 24.486 19.562 1.00 75.34 C ATOM 462 CD2 LEU A 30 -1.291 22.819 19.709 1.00 3.11 C ATOM 0 H LEU A 30 0.551 26.503 21.270 1.00 62.12 H new ATOM 0 HA LEU A 30 -2.201 26.658 20.433 1.00 21.13 H new ATOM 0 HB2 LEU A 30 -0.530 24.588 21.894 1.00 41.21 H new ATOM 0 HB3 LEU A 30 -2.222 24.348 21.507 1.00 41.21 H new ATOM 0 HG LEU A 30 -1.469 24.838 19.045 1.00 0.23 H new ATOM 0 HD11 LEU A 30 0.830 24.083 18.583 1.00 75.34 H new ATOM 0 HD12 LEU A 30 0.807 25.549 19.592 1.00 75.34 H new ATOM 0 HD13 LEU A 30 1.138 23.965 20.332 1.00 75.34 H new ATOM 0 HD21 LEU A 30 -1.005 22.439 18.728 1.00 3.11 H new ATOM 0 HD22 LEU A 30 -0.768 22.257 20.483 1.00 3.11 H new ATOM 0 HD23 LEU A 30 -2.367 22.706 19.842 1.00 3.11 H new ATOM 474 N ILE A 31 -2.528 28.004 22.732 1.00 14.41 N ATOM 475 CA ILE A 31 -3.175 28.482 23.948 1.00 21.32 C ATOM 476 C ILE A 31 -4.205 29.561 23.635 1.00 14.35 C ATOM 477 O ILE A 31 -4.127 30.255 22.621 1.00 25.41 O ATOM 478 CB ILE A 31 -2.147 29.043 24.949 1.00 75.01 C ATOM 479 CG1 ILE A 31 -1.183 29.998 24.242 1.00 71.53 C ATOM 480 CG2 ILE A 31 -1.384 27.909 25.617 1.00 72.25 C ATOM 481 CD1 ILE A 31 -1.037 31.333 24.936 1.00 14.43 C ATOM 0 H ILE A 31 -2.348 28.728 22.037 1.00 14.41 H new ATOM 0 HA ILE A 31 -3.676 27.625 24.397 1.00 21.32 H new ATOM 0 HB ILE A 31 -2.679 29.600 25.720 1.00 75.01 H new ATOM 0 HG12 ILE A 31 -0.203 29.526 24.171 1.00 71.53 H new ATOM 0 HG13 ILE A 31 -1.531 30.164 23.223 1.00 71.53 H new ATOM 0 HG21 ILE A 31 -0.662 28.322 26.321 1.00 72.25 H new ATOM 0 HG22 ILE A 31 -2.083 27.265 26.150 1.00 72.25 H new ATOM 0 HG23 ILE A 31 -0.860 27.327 24.859 1.00 72.25 H new ATOM 0 HD11 ILE A 31 -0.339 31.958 24.379 1.00 14.43 H new ATOM 0 HD12 ILE A 31 -2.008 31.827 24.983 1.00 14.43 H new ATOM 0 HD13 ILE A 31 -0.659 31.178 25.947 1.00 14.43 H new ATOM 493 N PRO A 32 -5.196 29.710 24.528 1.00 43.22 N ATOM 494 CA PRO A 32 -6.260 30.706 24.370 1.00 31.23 C ATOM 495 C PRO A 32 -5.751 32.132 24.550 1.00 33.13 C ATOM 496 O PRO A 32 -5.289 32.503 25.628 1.00 5.42 O ATOM 497 CB PRO A 32 -7.249 30.347 25.482 1.00 31.50 C ATOM 498 CG PRO A 32 -6.425 29.655 26.513 1.00 74.33 C ATOM 499 CD PRO A 32 -5.352 28.919 25.760 1.00 72.45 C ATOM 0 HA PRO A 32 -6.694 30.684 23.370 1.00 31.23 H new ATOM 0 HB2 PRO A 32 -7.727 31.238 25.890 1.00 31.50 H new ATOM 0 HB3 PRO A 32 -8.044 29.700 25.111 1.00 31.50 H new ATOM 0 HG2 PRO A 32 -5.991 30.371 27.211 1.00 74.33 H new ATOM 0 HG3 PRO A 32 -7.032 28.966 27.100 1.00 74.33 H new ATOM 0 HD2 PRO A 32 -4.423 28.872 26.328 1.00 72.45 H new ATOM 0 HD3 PRO A 32 -5.645 27.892 25.544 1.00 72.45 H new ATOM 507 N GLU A 33 -5.841 32.926 23.488 1.00 62.12 N ATOM 508 CA GLU A 33 -5.389 34.312 23.530 1.00 25.53 C ATOM 509 C GLU A 33 -6.460 35.251 22.983 1.00 22.43 C ATOM 510 O GLU A 33 -6.780 36.269 23.598 1.00 61.34 O ATOM 511 CB GLU A 33 -4.095 34.474 22.729 1.00 71.10 C ATOM 512 CG GLU A 33 -2.959 35.094 23.525 1.00 35.05 C ATOM 513 CD GLU A 33 -3.232 36.537 23.904 1.00 72.21 C ATOM 514 OE1 GLU A 33 -4.039 37.189 23.209 1.00 42.52 O ATOM 515 OE2 GLU A 33 -2.639 37.013 24.894 1.00 13.32 O ATOM 0 H GLU A 33 -6.223 32.634 22.588 1.00 62.12 H new ATOM 0 HA GLU A 33 -5.199 34.574 24.571 1.00 25.53 H new ATOM 0 HB2 GLU A 33 -3.780 33.497 22.363 1.00 71.10 H new ATOM 0 HB3 GLU A 33 -4.294 35.093 21.854 1.00 71.10 H new ATOM 0 HG2 GLU A 33 -2.793 34.510 24.430 1.00 35.05 H new ATOM 0 HG3 GLU A 33 -2.041 35.043 22.940 1.00 35.05 H new ATOM 522 N ILE A 34 -7.009 34.901 21.825 1.00 33.12 N ATOM 523 CA ILE A 34 -8.044 35.711 21.196 1.00 54.43 C ATOM 524 C ILE A 34 -8.562 35.051 19.922 1.00 24.34 C ATOM 525 O ILE A 34 -9.753 35.107 19.622 1.00 33.52 O ATOM 526 CB ILE A 34 -7.526 37.121 20.855 1.00 11.10 C ATOM 527 CG1 ILE A 34 -8.622 37.939 20.169 1.00 50.21 C ATOM 528 CG2 ILE A 34 -6.292 37.032 19.970 1.00 4.13 C ATOM 529 CD1 ILE A 34 -8.193 39.345 19.813 1.00 12.52 C ATOM 0 H ILE A 34 -6.754 34.062 21.304 1.00 33.12 H new ATOM 0 HA ILE A 34 -8.858 35.795 21.916 1.00 54.43 H new ATOM 0 HB ILE A 34 -7.249 37.624 21.782 1.00 11.10 H new ATOM 0 HG12 ILE A 34 -8.935 37.423 19.262 1.00 50.21 H new ATOM 0 HG13 ILE A 34 -9.492 37.988 20.824 1.00 50.21 H new ATOM 0 HG21 ILE A 34 -5.938 38.036 19.738 1.00 4.13 H new ATOM 0 HG22 ILE A 34 -5.509 36.483 20.492 1.00 4.13 H new ATOM 0 HG23 ILE A 34 -6.544 36.513 19.045 1.00 4.13 H new ATOM 0 HD11 ILE A 34 -9.020 39.866 19.330 1.00 12.52 H new ATOM 0 HD12 ILE A 34 -7.907 39.879 20.719 1.00 12.52 H new ATOM 0 HD13 ILE A 34 -7.343 39.305 19.132 1.00 12.52 H new ATOM 541 N ASN A 35 -7.657 34.423 19.178 1.00 5.51 N ATOM 542 CA ASN A 35 -8.021 33.750 17.937 1.00 15.10 C ATOM 543 C ASN A 35 -6.959 32.731 17.538 1.00 25.13 C ATOM 544 O ASN A 35 -6.381 32.812 16.453 1.00 33.41 O ATOM 545 CB ASN A 35 -8.211 34.772 16.814 1.00 4.24 C ATOM 546 CG ASN A 35 -9.583 35.418 16.845 1.00 25.32 C ATOM 547 OD1 ASN A 35 -10.580 34.768 17.160 1.00 24.13 O ATOM 548 ND2 ASN A 35 -9.639 36.703 16.517 1.00 41.21 N ATOM 0 H ASN A 35 -6.666 34.366 19.413 1.00 5.51 H new ATOM 0 HA ASN A 35 -8.961 33.223 18.102 1.00 15.10 H new ATOM 0 HB2 ASN A 35 -7.447 35.545 16.897 1.00 4.24 H new ATOM 0 HB3 ASN A 35 -8.065 34.281 15.852 1.00 4.24 H new ATOM 0 HD21 ASN A 35 -10.534 37.191 16.519 1.00 41.21 H new ATOM 0 HD22 ASN A 35 -8.787 37.202 16.263 1.00 41.21 H new ATOM 555 N LEU A 36 -6.705 31.772 18.422 1.00 11.11 N ATOM 556 CA LEU A 36 -5.712 30.736 18.163 1.00 61.41 C ATOM 557 C LEU A 36 -6.166 29.816 17.034 1.00 54.00 C ATOM 558 O LEU A 36 -5.376 29.443 16.168 1.00 33.10 O ATOM 559 CB LEU A 36 -5.456 29.918 19.430 1.00 14.13 C ATOM 560 CG LEU A 36 -4.841 28.534 19.223 1.00 33.54 C ATOM 561 CD1 LEU A 36 -3.433 28.654 18.663 1.00 62.55 C ATOM 562 CD2 LEU A 36 -4.832 27.753 20.530 1.00 55.22 C ATOM 0 H LEU A 36 -7.173 31.691 19.324 1.00 11.11 H new ATOM 0 HA LEU A 36 -4.786 31.224 17.860 1.00 61.41 H new ATOM 0 HB2 LEU A 36 -4.798 30.492 20.082 1.00 14.13 H new ATOM 0 HB3 LEU A 36 -6.402 29.798 19.958 1.00 14.13 H new ATOM 0 HG LEU A 36 -5.452 27.991 18.502 1.00 33.54 H new ATOM 0 HD11 LEU A 36 -3.011 27.659 18.522 1.00 62.55 H new ATOM 0 HD12 LEU A 36 -3.465 29.173 17.705 1.00 62.55 H new ATOM 0 HD13 LEU A 36 -2.811 29.216 19.360 1.00 62.55 H new ATOM 0 HD21 LEU A 36 -4.391 26.770 20.364 1.00 55.22 H new ATOM 0 HD22 LEU A 36 -4.245 28.293 21.273 1.00 55.22 H new ATOM 0 HD23 LEU A 36 -5.854 27.635 20.891 1.00 55.22 H new ATOM 574 N ASN A 37 -7.446 29.456 17.050 1.00 42.24 N ATOM 575 CA ASN A 37 -8.006 28.582 16.026 1.00 73.41 C ATOM 576 C ASN A 37 -7.763 29.151 14.631 1.00 30.34 C ATOM 577 O ASN A 37 -7.307 28.444 13.732 1.00 2.14 O ATOM 578 CB ASN A 37 -9.507 28.389 16.256 1.00 43.12 C ATOM 579 CG ASN A 37 -9.800 27.362 17.332 1.00 64.41 C ATOM 580 OD1 ASN A 37 -8.928 26.582 17.715 1.00 65.52 O ATOM 581 ND2 ASN A 37 -11.033 27.357 17.825 1.00 24.41 N ATOM 0 H ASN A 37 -8.114 29.756 17.760 1.00 42.24 H new ATOM 0 HA ASN A 37 -7.507 27.616 16.096 1.00 73.41 H new ATOM 0 HB2 ASN A 37 -9.954 29.343 16.536 1.00 43.12 H new ATOM 0 HB3 ASN A 37 -9.978 28.078 15.323 1.00 43.12 H new ATOM 0 HD21 ASN A 37 -11.289 26.688 18.551 1.00 24.41 H new ATOM 0 HD22 ASN A 37 -11.724 28.022 17.478 1.00 24.41 H new ATOM 588 N ASP A 38 -8.070 30.432 14.459 1.00 30.45 N ATOM 589 CA ASP A 38 -7.883 31.097 13.175 1.00 33.13 C ATOM 590 C ASP A 38 -6.428 31.013 12.727 1.00 43.45 C ATOM 591 O ASP A 38 -6.132 30.558 11.621 1.00 51.41 O ATOM 592 CB ASP A 38 -8.319 32.560 13.267 1.00 44.32 C ATOM 593 CG ASP A 38 -9.671 32.803 12.626 1.00 11.25 C ATOM 594 OD1 ASP A 38 -9.936 32.214 11.558 1.00 73.24 O ATOM 595 OD2 ASP A 38 -10.465 33.582 13.195 1.00 63.15 O ATOM 0 H ASP A 38 -8.449 31.031 15.193 1.00 30.45 H new ATOM 0 HA ASP A 38 -8.501 30.588 12.436 1.00 33.13 H new ATOM 0 HB2 ASP A 38 -8.358 32.859 14.314 1.00 44.32 H new ATOM 0 HB3 ASP A 38 -7.572 33.190 12.783 1.00 44.32 H new ATOM 600 N THR A 39 -5.521 31.457 13.591 1.00 24.34 N ATOM 601 CA THR A 39 -4.096 31.434 13.284 1.00 52.42 C ATOM 602 C THR A 39 -3.628 30.022 12.951 1.00 4.53 C ATOM 603 O THR A 39 -2.963 29.801 11.939 1.00 23.51 O ATOM 604 CB THR A 39 -3.259 31.978 14.457 1.00 34.23 C ATOM 605 OG1 THR A 39 -4.072 32.806 15.296 1.00 32.14 O ATOM 606 CG2 THR A 39 -2.069 32.776 13.949 1.00 44.22 C ATOM 0 H THR A 39 -5.748 31.837 14.510 1.00 24.34 H new ATOM 0 HA THR A 39 -3.950 32.076 12.416 1.00 52.42 H new ATOM 0 HB THR A 39 -2.888 31.130 15.033 1.00 34.23 H new ATOM 0 HG1 THR A 39 -4.701 32.246 15.798 1.00 32.14 H new ATOM 0 HG21 THR A 39 -1.493 33.150 14.796 1.00 44.22 H new ATOM 0 HG22 THR A 39 -1.437 32.135 13.335 1.00 44.22 H new ATOM 0 HG23 THR A 39 -2.423 33.616 13.352 1.00 44.22 H new ATOM 614 N PHE A 40 -3.979 29.070 13.809 1.00 43.10 N ATOM 615 CA PHE A 40 -3.593 27.678 13.606 1.00 54.41 C ATOM 616 C PHE A 40 -4.132 27.153 12.278 1.00 0.14 C ATOM 617 O PHE A 40 -3.414 26.501 11.519 1.00 14.44 O ATOM 618 CB PHE A 40 -4.108 26.811 14.757 1.00 40.51 C ATOM 619 CG PHE A 40 -3.368 25.513 14.907 1.00 4.30 C ATOM 620 CD1 PHE A 40 -1.982 25.486 14.898 1.00 34.54 C ATOM 621 CD2 PHE A 40 -4.057 24.321 15.056 1.00 20.33 C ATOM 622 CE1 PHE A 40 -1.298 24.293 15.037 1.00 61.43 C ATOM 623 CE2 PHE A 40 -3.378 23.125 15.195 1.00 30.04 C ATOM 624 CZ PHE A 40 -1.997 23.111 15.184 1.00 21.33 C ATOM 0 H PHE A 40 -4.530 29.237 14.651 1.00 43.10 H new ATOM 0 HA PHE A 40 -2.504 27.628 13.582 1.00 54.41 H new ATOM 0 HB2 PHE A 40 -4.031 27.373 15.688 1.00 40.51 H new ATOM 0 HB3 PHE A 40 -5.166 26.601 14.598 1.00 40.51 H new ATOM 0 HD1 PHE A 40 -1.431 26.407 14.781 1.00 34.54 H new ATOM 0 HD2 PHE A 40 -5.137 24.326 15.064 1.00 20.33 H new ATOM 0 HE1 PHE A 40 -0.218 24.285 15.031 1.00 61.43 H new ATOM 0 HE2 PHE A 40 -3.927 22.202 15.312 1.00 30.04 H new ATOM 0 HZ PHE A 40 -1.465 22.177 15.290 1.00 21.33 H new ATOM 634 N ASP A 41 -5.400 27.441 12.006 1.00 42.11 N ATOM 635 CA ASP A 41 -6.036 26.999 10.770 1.00 22.24 C ATOM 636 C ASP A 41 -5.275 27.515 9.553 1.00 74.02 C ATOM 637 O ASP A 41 -4.761 26.734 8.751 1.00 5.44 O ATOM 638 CB ASP A 41 -7.488 27.476 10.720 1.00 31.12 C ATOM 639 CG ASP A 41 -8.377 26.542 9.922 1.00 0.32 C ATOM 640 OD1 ASP A 41 -8.478 26.727 8.691 1.00 33.11 O ATOM 641 OD2 ASP A 41 -8.971 25.626 10.529 1.00 44.43 O ATOM 0 H ASP A 41 -6.008 27.978 12.624 1.00 42.11 H new ATOM 0 HA ASP A 41 -6.019 25.909 10.751 1.00 22.24 H new ATOM 0 HB2 ASP A 41 -7.875 27.561 11.736 1.00 31.12 H new ATOM 0 HB3 ASP A 41 -7.525 28.473 10.280 1.00 31.12 H new ATOM 646 N THR A 42 -5.209 28.836 9.419 1.00 53.11 N ATOM 647 CA THR A 42 -4.514 29.457 8.298 1.00 33.13 C ATOM 648 C THR A 42 -3.067 28.985 8.220 1.00 42.41 C ATOM 649 O THR A 42 -2.441 29.044 7.161 1.00 21.32 O ATOM 650 CB THR A 42 -4.537 30.993 8.405 1.00 42.30 C ATOM 651 OG1 THR A 42 -4.589 31.574 7.097 1.00 14.53 O ATOM 652 CG2 THR A 42 -3.308 31.503 9.143 1.00 63.43 C ATOM 0 H THR A 42 -5.629 29.497 10.073 1.00 53.11 H new ATOM 0 HA THR A 42 -5.041 29.156 7.392 1.00 33.13 H new ATOM 0 HB THR A 42 -5.425 31.283 8.967 1.00 42.30 H new ATOM 0 HG1 THR A 42 -4.605 32.551 7.173 1.00 14.53 H new ATOM 0 HG21 THR A 42 -3.347 32.590 9.206 1.00 63.43 H new ATOM 0 HG22 THR A 42 -3.286 31.082 10.148 1.00 63.43 H new ATOM 0 HG23 THR A 42 -2.409 31.203 8.604 1.00 63.43 H new ATOM 660 N PHE A 43 -2.540 28.517 9.347 1.00 41.45 N ATOM 661 CA PHE A 43 -1.165 28.036 9.405 1.00 22.30 C ATOM 662 C PHE A 43 -1.041 26.663 8.750 1.00 41.34 C ATOM 663 O PHE A 43 -0.244 26.472 7.832 1.00 62.32 O ATOM 664 CB PHE A 43 -0.688 27.965 10.857 1.00 32.43 C ATOM 665 CG PHE A 43 0.795 27.769 10.993 1.00 52.13 C ATOM 666 CD1 PHE A 43 1.310 26.918 11.957 1.00 34.12 C ATOM 667 CD2 PHE A 43 1.674 28.437 10.156 1.00 62.14 C ATOM 668 CE1 PHE A 43 2.674 26.735 12.084 1.00 12.42 C ATOM 669 CE2 PHE A 43 3.039 28.258 10.278 1.00 42.04 C ATOM 670 CZ PHE A 43 3.540 27.407 11.244 1.00 53.31 C ATOM 0 H PHE A 43 -3.044 28.461 10.232 1.00 41.45 H new ATOM 0 HA PHE A 43 -0.537 28.739 8.857 1.00 22.30 H new ATOM 0 HB2 PHE A 43 -0.973 28.883 11.370 1.00 32.43 H new ATOM 0 HB3 PHE A 43 -1.202 27.146 11.360 1.00 32.43 H new ATOM 0 HD1 PHE A 43 0.637 26.391 12.617 1.00 34.12 H new ATOM 0 HD2 PHE A 43 1.288 29.105 9.400 1.00 62.14 H new ATOM 0 HE1 PHE A 43 3.062 26.067 12.839 1.00 12.42 H new ATOM 0 HE2 PHE A 43 3.714 28.783 9.618 1.00 42.04 H new ATOM 0 HZ PHE A 43 4.606 27.268 11.342 1.00 53.31 H new ATOM 680 N ALA A 44 -1.835 25.712 9.229 1.00 73.44 N ATOM 681 CA ALA A 44 -1.816 24.358 8.689 1.00 34.42 C ATOM 682 C ALA A 44 -2.387 24.322 7.275 1.00 24.24 C ATOM 683 O ALA A 44 -1.796 23.730 6.371 1.00 23.43 O ATOM 684 CB ALA A 44 -2.594 23.417 9.598 1.00 64.42 C ATOM 0 H ALA A 44 -2.499 25.854 9.990 1.00 73.44 H new ATOM 0 HA ALA A 44 -0.779 24.027 8.642 1.00 34.42 H new ATOM 0 HB1 ALA A 44 -2.572 22.409 9.183 1.00 64.42 H new ATOM 0 HB2 ALA A 44 -2.141 23.411 10.589 1.00 64.42 H new ATOM 0 HB3 ALA A 44 -3.627 23.756 9.673 1.00 64.42 H new ATOM 690 N LEU A 45 -3.538 24.958 7.091 1.00 71.02 N ATOM 691 CA LEU A 45 -4.189 24.998 5.786 1.00 52.50 C ATOM 692 C LEU A 45 -3.191 25.357 4.690 1.00 3.11 C ATOM 693 O LEU A 45 -2.977 24.586 3.754 1.00 13.03 O ATOM 694 CB LEU A 45 -5.336 26.010 5.798 1.00 53.44 C ATOM 695 CG LEU A 45 -6.495 25.722 4.843 1.00 53.21 C ATOM 696 CD1 LEU A 45 -5.974 25.410 3.449 1.00 64.11 C ATOM 697 CD2 LEU A 45 -7.344 24.573 5.366 1.00 34.14 C ATOM 0 H LEU A 45 -4.040 25.453 7.828 1.00 71.02 H new ATOM 0 HA LEU A 45 -4.589 24.006 5.576 1.00 52.50 H new ATOM 0 HB2 LEU A 45 -5.733 26.068 6.812 1.00 53.44 H new ATOM 0 HB3 LEU A 45 -4.930 26.993 5.558 1.00 53.44 H new ATOM 0 HG LEU A 45 -7.121 26.613 4.784 1.00 53.21 H new ATOM 0 HD11 LEU A 45 -6.813 25.208 2.784 1.00 64.11 H new ATOM 0 HD12 LEU A 45 -5.410 26.263 3.072 1.00 64.11 H new ATOM 0 HD13 LEU A 45 -5.325 24.535 3.490 1.00 64.11 H new ATOM 0 HD21 LEU A 45 -8.164 24.382 4.674 1.00 34.14 H new ATOM 0 HD22 LEU A 45 -6.729 23.678 5.456 1.00 34.14 H new ATOM 0 HD23 LEU A 45 -7.748 24.835 6.344 1.00 34.14 H new ATOM 709 N ASP A 46 -2.580 26.531 4.814 1.00 75.50 N ATOM 710 CA ASP A 46 -1.601 26.990 3.836 1.00 54.32 C ATOM 711 C ASP A 46 -0.593 25.891 3.519 1.00 65.13 C ATOM 712 O ASP A 46 -0.376 25.549 2.356 1.00 73.21 O ATOM 713 CB ASP A 46 -0.875 28.232 4.355 1.00 41.23 C ATOM 714 CG ASP A 46 -0.602 29.243 3.259 1.00 43.34 C ATOM 715 OD1 ASP A 46 -1.335 30.252 3.185 1.00 73.53 O ATOM 716 OD2 ASP A 46 0.346 29.027 2.475 1.00 21.12 O ATOM 0 H ASP A 46 -2.746 27.181 5.582 1.00 75.50 H new ATOM 0 HA ASP A 46 -2.132 27.246 2.919 1.00 54.32 H new ATOM 0 HB2 ASP A 46 -1.474 28.700 5.136 1.00 41.23 H new ATOM 0 HB3 ASP A 46 0.068 27.933 4.813 1.00 41.23 H new ATOM 721 N PHE A 47 0.023 25.342 4.560 1.00 22.54 N ATOM 722 CA PHE A 47 1.011 24.282 4.393 1.00 42.10 C ATOM 723 C PHE A 47 0.417 23.099 3.635 1.00 34.31 C ATOM 724 O PHE A 47 0.933 22.691 2.595 1.00 43.12 O ATOM 725 CB PHE A 47 1.531 23.820 5.756 1.00 12.20 C ATOM 726 CG PHE A 47 2.955 24.216 6.020 1.00 3.32 C ATOM 727 CD1 PHE A 47 3.967 23.833 5.154 1.00 13.32 C ATOM 728 CD2 PHE A 47 3.283 24.971 7.135 1.00 51.21 C ATOM 729 CE1 PHE A 47 5.279 24.196 5.394 1.00 13.51 C ATOM 730 CE2 PHE A 47 4.593 25.338 7.380 1.00 72.32 C ATOM 731 CZ PHE A 47 5.592 24.949 6.509 1.00 21.21 C ATOM 0 H PHE A 47 -0.144 25.613 5.529 1.00 22.54 H new ATOM 0 HA PHE A 47 1.842 24.683 3.812 1.00 42.10 H new ATOM 0 HB2 PHE A 47 0.896 24.236 6.538 1.00 12.20 H new ATOM 0 HB3 PHE A 47 1.446 22.735 5.820 1.00 12.20 H new ATOM 0 HD1 PHE A 47 3.728 23.244 4.281 1.00 13.32 H new ATOM 0 HD2 PHE A 47 2.506 25.276 7.820 1.00 51.21 H new ATOM 0 HE1 PHE A 47 6.058 23.891 4.711 1.00 13.51 H new ATOM 0 HE2 PHE A 47 4.835 25.928 8.251 1.00 72.32 H new ATOM 0 HZ PHE A 47 6.616 25.233 6.699 1.00 21.21 H new ATOM 741 N SER A 48 -0.673 22.551 4.165 1.00 43.41 N ATOM 742 CA SER A 48 -1.336 21.412 3.542 1.00 60.02 C ATOM 743 C SER A 48 -1.621 21.688 2.069 1.00 51.33 C ATOM 744 O SER A 48 -1.392 20.836 1.210 1.00 11.03 O ATOM 745 CB SER A 48 -2.640 21.091 4.274 1.00 14.30 C ATOM 746 OG SER A 48 -2.992 19.728 4.115 1.00 34.23 O ATOM 0 H SER A 48 -1.115 22.878 5.024 1.00 43.41 H new ATOM 0 HA SER A 48 -0.669 20.553 3.610 1.00 60.02 H new ATOM 0 HB2 SER A 48 -2.532 21.321 5.334 1.00 14.30 H new ATOM 0 HB3 SER A 48 -3.441 21.724 3.891 1.00 14.30 H new ATOM 0 HG SER A 48 -3.828 19.548 4.594 1.00 34.23 H new ATOM 752 N ARG A 49 -2.122 22.886 1.784 1.00 35.21 N ATOM 753 CA ARG A 49 -2.441 23.275 0.416 1.00 44.33 C ATOM 754 C ARG A 49 -1.323 22.867 -0.540 1.00 1.04 C ATOM 755 O ARG A 49 -1.580 22.332 -1.618 1.00 1.44 O ATOM 756 CB ARG A 49 -2.670 24.785 0.333 1.00 54.40 C ATOM 757 CG ARG A 49 -3.482 25.213 -0.879 1.00 60.52 C ATOM 758 CD ARG A 49 -3.326 26.699 -1.158 1.00 41.24 C ATOM 759 NE ARG A 49 -4.610 27.346 -1.412 1.00 53.20 N ATOM 760 CZ ARG A 49 -4.735 28.625 -1.750 1.00 71.33 C ATOM 761 NH1 ARG A 49 -3.659 29.389 -1.875 1.00 62.13 N ATOM 762 NH2 ARG A 49 -5.938 29.141 -1.965 1.00 14.21 N ATOM 0 H ARG A 49 -2.316 23.604 2.483 1.00 35.21 H new ATOM 0 HA ARG A 49 -3.355 22.759 0.122 1.00 44.33 H new ATOM 0 HB2 ARG A 49 -3.181 25.117 1.237 1.00 54.40 H new ATOM 0 HB3 ARG A 49 -1.704 25.290 0.309 1.00 54.40 H new ATOM 0 HG2 ARG A 49 -3.163 24.643 -1.751 1.00 60.52 H new ATOM 0 HG3 ARG A 49 -4.534 24.981 -0.714 1.00 60.52 H new ATOM 0 HD2 ARG A 49 -2.840 27.178 -0.308 1.00 41.24 H new ATOM 0 HD3 ARG A 49 -2.673 26.839 -2.019 1.00 41.24 H new ATOM 0 HE ARG A 49 -5.458 26.785 -1.325 1.00 53.20 H new ATOM 0 HH11 ARG A 49 -2.732 28.995 -1.712 1.00 62.13 H new ATOM 0 HH12 ARG A 49 -3.758 30.370 -2.135 1.00 62.13 H new ATOM 0 HH21 ARG A 49 -6.768 28.556 -1.871 1.00 14.21 H new ATOM 0 HH22 ARG A 49 -6.033 30.123 -2.224 1.00 14.21 H new ATOM 776 N GLU A 50 -0.083 23.124 -0.135 1.00 63.25 N ATOM 777 CA GLU A 50 1.073 22.784 -0.957 1.00 23.03 C ATOM 778 C GLU A 50 1.390 21.294 -0.861 1.00 12.21 C ATOM 779 O GLU A 50 1.840 20.680 -1.828 1.00 72.32 O ATOM 780 CB GLU A 50 2.291 23.604 -0.526 1.00 63.02 C ATOM 781 CG GLU A 50 3.110 24.136 -1.691 1.00 34.41 C ATOM 782 CD GLU A 50 4.602 24.079 -1.429 1.00 42.21 C ATOM 783 OE1 GLU A 50 5.092 23.006 -1.019 1.00 73.21 O ATOM 784 OE2 GLU A 50 5.280 25.108 -1.634 1.00 23.54 O ATOM 0 H GLU A 50 0.147 23.566 0.755 1.00 63.25 H new ATOM 0 HA GLU A 50 0.832 23.020 -1.993 1.00 23.03 H new ATOM 0 HB2 GLU A 50 1.956 24.442 0.085 1.00 63.02 H new ATOM 0 HB3 GLU A 50 2.930 22.986 0.104 1.00 63.02 H new ATOM 0 HG2 GLU A 50 2.880 23.558 -2.586 1.00 34.41 H new ATOM 0 HG3 GLU A 50 2.820 25.167 -1.894 1.00 34.41 H new ATOM 791 N LYS A 51 1.152 20.719 0.313 1.00 13.20 N ATOM 792 CA LYS A 51 1.410 19.302 0.538 1.00 73.13 C ATOM 793 C LYS A 51 0.530 18.439 -0.362 1.00 11.43 C ATOM 794 O LYS A 51 0.900 17.322 -0.722 1.00 74.15 O ATOM 795 CB LYS A 51 1.163 18.944 2.005 1.00 24.20 C ATOM 796 CG LYS A 51 -0.210 18.349 2.264 1.00 60.34 C ATOM 797 CD LYS A 51 -0.197 16.836 2.124 1.00 74.30 C ATOM 798 CE LYS A 51 -1.554 16.305 1.686 1.00 42.12 C ATOM 799 NZ LYS A 51 -1.547 14.824 1.533 1.00 30.24 N ATOM 0 H LYS A 51 0.780 21.213 1.124 1.00 13.20 H new ATOM 0 HA LYS A 51 2.454 19.105 0.293 1.00 73.13 H new ATOM 0 HB2 LYS A 51 1.924 18.235 2.330 1.00 24.20 H new ATOM 0 HB3 LYS A 51 1.282 19.840 2.614 1.00 24.20 H new ATOM 0 HG2 LYS A 51 -0.542 18.620 3.266 1.00 60.34 H new ATOM 0 HG3 LYS A 51 -0.930 18.774 1.564 1.00 60.34 H new ATOM 0 HD2 LYS A 51 0.561 16.543 1.398 1.00 74.30 H new ATOM 0 HD3 LYS A 51 0.082 16.384 3.076 1.00 74.30 H new ATOM 0 HE2 LYS A 51 -2.309 16.591 2.418 1.00 42.12 H new ATOM 0 HE3 LYS A 51 -1.836 16.767 0.740 1.00 42.12 H new ATOM 0 HZ1 LYS A 51 -2.489 14.501 1.234 1.00 30.24 H new ATOM 0 HZ2 LYS A 51 -0.844 14.552 0.816 1.00 30.24 H new ATOM 0 HZ3 LYS A 51 -1.303 14.382 2.442 1.00 30.24 H new ATOM 813 N LYS A 52 -0.636 18.966 -0.722 1.00 23.22 N ATOM 814 CA LYS A 52 -1.568 18.246 -1.582 1.00 1.15 C ATOM 815 C LYS A 52 -1.112 18.291 -3.036 1.00 64.33 C ATOM 816 O LYS A 52 -1.003 17.256 -3.696 1.00 32.13 O ATOM 817 CB LYS A 52 -2.972 18.842 -1.458 1.00 0.12 C ATOM 818 CG LYS A 52 -3.965 18.271 -2.455 1.00 51.12 C ATOM 819 CD LYS A 52 -4.246 16.803 -2.184 1.00 65.54 C ATOM 820 CE LYS A 52 -5.386 16.285 -3.047 1.00 34.32 C ATOM 821 NZ LYS A 52 -6.433 15.605 -2.233 1.00 45.43 N ATOM 0 H LYS A 52 -0.958 19.889 -0.431 1.00 23.22 H new ATOM 0 HA LYS A 52 -1.592 17.205 -1.259 1.00 1.15 H new ATOM 0 HB2 LYS A 52 -3.343 18.669 -0.448 1.00 0.12 H new ATOM 0 HB3 LYS A 52 -2.913 19.922 -1.595 1.00 0.12 H new ATOM 0 HG2 LYS A 52 -4.896 18.836 -2.406 1.00 51.12 H new ATOM 0 HG3 LYS A 52 -3.574 18.387 -3.466 1.00 51.12 H new ATOM 0 HD2 LYS A 52 -3.347 16.218 -2.377 1.00 65.54 H new ATOM 0 HD3 LYS A 52 -4.494 16.667 -1.131 1.00 65.54 H new ATOM 0 HE2 LYS A 52 -5.833 17.115 -3.594 1.00 34.32 H new ATOM 0 HE3 LYS A 52 -4.993 15.589 -3.788 1.00 34.32 H new ATOM 0 HZ1 LYS A 52 -7.193 15.266 -2.857 1.00 45.43 H new ATOM 0 HZ2 LYS A 52 -6.012 14.798 -1.730 1.00 45.43 H new ATOM 0 HZ3 LYS A 52 -6.826 16.276 -1.542 1.00 45.43 H new ATOM 835 N LEU A 53 -0.844 19.494 -3.531 1.00 11.20 N ATOM 836 CA LEU A 53 -0.397 19.673 -4.908 1.00 54.41 C ATOM 837 C LEU A 53 0.794 18.772 -5.216 1.00 1.12 C ATOM 838 O LEU A 53 1.014 18.386 -6.365 1.00 33.23 O ATOM 839 CB LEU A 53 -0.023 21.136 -5.158 1.00 33.54 C ATOM 840 CG LEU A 53 -0.822 21.857 -6.243 1.00 74.14 C ATOM 841 CD1 LEU A 53 -1.249 23.236 -5.765 1.00 31.01 C ATOM 842 CD2 LEU A 53 -0.007 21.963 -7.524 1.00 1.42 C ATOM 0 H LEU A 53 -0.928 20.360 -2.999 1.00 11.20 H new ATOM 0 HA LEU A 53 -1.218 19.396 -5.569 1.00 54.41 H new ATOM 0 HB2 LEU A 53 -0.140 21.685 -4.224 1.00 33.54 H new ATOM 0 HB3 LEU A 53 1.033 21.180 -5.423 1.00 33.54 H new ATOM 0 HG LEU A 53 -1.719 21.275 -6.454 1.00 74.14 H new ATOM 0 HD11 LEU A 53 -1.817 23.734 -6.551 1.00 31.01 H new ATOM 0 HD12 LEU A 53 -1.871 23.136 -4.876 1.00 31.01 H new ATOM 0 HD13 LEU A 53 -0.366 23.828 -5.525 1.00 31.01 H new ATOM 0 HD21 LEU A 53 -0.592 22.479 -8.286 1.00 1.42 H new ATOM 0 HD22 LEU A 53 0.908 22.522 -7.328 1.00 1.42 H new ATOM 0 HD23 LEU A 53 0.247 20.964 -7.877 1.00 1.42 H new ATOM 854 N LEU A 54 1.559 18.439 -4.182 1.00 64.25 N ATOM 855 CA LEU A 54 2.728 17.580 -4.341 1.00 41.34 C ATOM 856 C LEU A 54 2.312 16.135 -4.597 1.00 13.35 C ATOM 857 O LEU A 54 2.641 15.559 -5.632 1.00 63.53 O ATOM 858 CB LEU A 54 3.614 17.656 -3.096 1.00 72.45 C ATOM 859 CG LEU A 54 5.090 17.313 -3.301 1.00 72.12 C ATOM 860 CD1 LEU A 54 5.878 17.561 -2.024 1.00 54.53 C ATOM 861 CD2 LEU A 54 5.244 15.868 -3.752 1.00 62.25 C ATOM 0 H LEU A 54 1.391 18.750 -3.225 1.00 64.25 H new ATOM 0 HA LEU A 54 3.293 17.933 -5.204 1.00 41.34 H new ATOM 0 HB2 LEU A 54 3.549 18.665 -2.689 1.00 72.45 H new ATOM 0 HB3 LEU A 54 3.206 16.982 -2.343 1.00 72.45 H new ATOM 0 HG LEU A 54 5.489 17.961 -4.082 1.00 72.12 H new ATOM 0 HD11 LEU A 54 6.926 17.311 -2.189 1.00 54.53 H new ATOM 0 HD12 LEU A 54 5.795 18.611 -1.743 1.00 54.53 H new ATOM 0 HD13 LEU A 54 5.479 16.939 -1.223 1.00 54.53 H new ATOM 0 HD21 LEU A 54 6.301 15.642 -3.893 1.00 62.25 H new ATOM 0 HD22 LEU A 54 4.829 15.204 -2.994 1.00 62.25 H new ATOM 0 HD23 LEU A 54 4.713 15.722 -4.693 1.00 62.25 H new ATOM 873 N GLU A 55 1.584 15.558 -3.646 1.00 32.12 N ATOM 874 CA GLU A 55 1.121 14.181 -3.769 1.00 63.52 C ATOM 875 C GLU A 55 0.324 13.987 -5.056 1.00 44.53 C ATOM 876 O GLU A 55 0.765 13.294 -5.974 1.00 4.32 O ATOM 877 CB GLU A 55 0.262 13.797 -2.562 1.00 43.33 C ATOM 878 CG GLU A 55 0.103 12.297 -2.380 1.00 52.34 C ATOM 879 CD GLU A 55 -1.324 11.832 -2.598 1.00 62.31 C ATOM 880 OE1 GLU A 55 -1.984 12.355 -3.520 1.00 42.12 O ATOM 881 OE2 GLU A 55 -1.780 10.945 -1.847 1.00 33.11 O ATOM 0 H GLU A 55 1.302 16.022 -2.783 1.00 32.12 H new ATOM 0 HA GLU A 55 1.997 13.533 -3.803 1.00 63.52 H new ATOM 0 HB2 GLU A 55 0.708 14.218 -1.661 1.00 43.33 H new ATOM 0 HB3 GLU A 55 -0.724 14.248 -2.671 1.00 43.33 H new ATOM 0 HG2 GLU A 55 0.761 11.778 -3.077 1.00 52.34 H new ATOM 0 HG3 GLU A 55 0.422 12.021 -1.375 1.00 52.34 H new ATOM 888 N CYS A 56 -0.850 14.604 -5.116 1.00 14.44 N ATOM 889 CA CYS A 56 -1.710 14.500 -6.289 1.00 74.01 C ATOM 890 C CYS A 56 -1.164 15.338 -7.440 1.00 10.50 C ATOM 891 O CYS A 56 -0.075 15.906 -7.346 1.00 42.14 O ATOM 892 CB CYS A 56 -3.132 14.947 -5.947 1.00 13.15 C ATOM 893 SG CYS A 56 -3.307 16.730 -5.701 1.00 64.04 S ATOM 0 H CYS A 56 -1.229 15.182 -4.366 1.00 14.44 H new ATOM 0 HA CYS A 56 -1.731 13.456 -6.601 1.00 74.01 H new ATOM 0 HB2 CYS A 56 -3.802 14.634 -6.748 1.00 13.15 H new ATOM 0 HB3 CYS A 56 -3.455 14.433 -5.042 1.00 13.15 H new ATOM 0 HG CYS A 56 -2.388 17.147 -4.881 1.00 64.04 H new ATOM 899 N LEU A 57 -1.926 15.411 -8.526 1.00 1.12 N ATOM 900 CA LEU A 57 -1.518 16.179 -9.697 1.00 3.21 C ATOM 901 C LEU A 57 -2.718 16.859 -10.348 1.00 72.40 C ATOM 902 O LEU A 57 -2.813 16.933 -11.573 1.00 43.23 O ATOM 903 CB LEU A 57 -0.820 15.270 -10.710 1.00 74.21 C ATOM 904 CG LEU A 57 0.402 15.861 -11.413 1.00 2.12 C ATOM 905 CD1 LEU A 57 0.062 17.208 -12.032 1.00 63.35 C ATOM 906 CD2 LEU A 57 1.563 15.998 -10.438 1.00 40.14 C ATOM 0 H LEU A 57 -2.830 14.948 -8.620 1.00 1.12 H new ATOM 0 HA LEU A 57 -0.821 16.950 -9.370 1.00 3.21 H new ATOM 0 HB2 LEU A 57 -0.514 14.358 -10.198 1.00 74.21 H new ATOM 0 HB3 LEU A 57 -1.546 14.981 -11.469 1.00 74.21 H new ATOM 0 HG LEU A 57 0.702 15.183 -12.212 1.00 2.12 H new ATOM 0 HD11 LEU A 57 0.944 17.613 -12.528 1.00 63.35 H new ATOM 0 HD12 LEU A 57 -0.738 17.082 -12.761 1.00 63.35 H new ATOM 0 HD13 LEU A 57 -0.263 17.895 -11.251 1.00 63.35 H new ATOM 0 HD21 LEU A 57 2.425 16.420 -10.955 1.00 40.14 H new ATOM 0 HD22 LEU A 57 1.274 16.655 -9.618 1.00 40.14 H new ATOM 0 HD23 LEU A 57 1.823 15.016 -10.042 1.00 40.14 H new ATOM 918 N ASP A 58 -3.632 17.354 -9.521 1.00 4.15 N ATOM 919 CA ASP A 58 -4.825 18.031 -10.015 1.00 62.24 C ATOM 920 C ASP A 58 -5.474 18.863 -8.914 1.00 31.42 C ATOM 921 O ASP A 58 -5.608 18.409 -7.777 1.00 1.32 O ATOM 922 CB ASP A 58 -5.827 17.011 -10.559 1.00 43.25 C ATOM 923 CG ASP A 58 -6.241 17.311 -11.987 1.00 0.34 C ATOM 924 OD1 ASP A 58 -7.440 17.158 -12.301 1.00 50.53 O ATOM 925 OD2 ASP A 58 -5.366 17.700 -12.789 1.00 34.24 O ATOM 0 H ASP A 58 -3.569 17.299 -8.504 1.00 4.15 H new ATOM 0 HA ASP A 58 -4.525 18.700 -10.821 1.00 62.24 H new ATOM 0 HB2 ASP A 58 -5.388 16.014 -10.513 1.00 43.25 H new ATOM 0 HB3 ASP A 58 -6.711 17.000 -9.922 1.00 43.25 H new ATOM 930 N TYR A 59 -5.875 20.081 -9.258 1.00 43.41 N ATOM 931 CA TYR A 59 -6.507 20.978 -8.298 1.00 3.03 C ATOM 932 C TYR A 59 -7.250 22.103 -9.011 1.00 13.45 C ATOM 933 O TYR A 59 -8.479 22.178 -8.965 1.00 40.33 O ATOM 934 CB TYR A 59 -5.459 21.564 -7.350 1.00 12.24 C ATOM 935 CG TYR A 59 -6.033 22.048 -6.037 1.00 75.22 C ATOM 936 CD1 TYR A 59 -6.848 21.226 -5.268 1.00 23.42 C ATOM 937 CD2 TYR A 59 -5.763 23.327 -5.567 1.00 21.21 C ATOM 938 CE1 TYR A 59 -7.375 21.663 -4.068 1.00 53.34 C ATOM 939 CE2 TYR A 59 -6.285 23.772 -4.368 1.00 2.30 C ATOM 940 CZ TYR A 59 -7.091 22.937 -3.623 1.00 4.15 C ATOM 941 OH TYR A 59 -7.614 23.378 -2.428 1.00 64.34 O ATOM 0 H TYR A 59 -5.774 20.470 -10.195 1.00 43.41 H new ATOM 0 HA TYR A 59 -7.228 20.401 -7.720 1.00 3.03 H new ATOM 0 HB2 TYR A 59 -4.700 20.808 -7.148 1.00 12.24 H new ATOM 0 HB3 TYR A 59 -4.957 22.395 -7.846 1.00 12.24 H new ATOM 0 HD1 TYR A 59 -7.073 20.228 -5.614 1.00 23.42 H new ATOM 0 HD2 TYR A 59 -5.134 23.985 -6.149 1.00 21.21 H new ATOM 0 HE1 TYR A 59 -8.006 21.011 -3.482 1.00 53.34 H new ATOM 0 HE2 TYR A 59 -6.063 24.769 -4.016 1.00 2.30 H new ATOM 0 HH TYR A 59 -7.317 24.297 -2.260 1.00 64.34 H new ATOM 951 N LEU A 60 -6.497 22.977 -9.669 1.00 63.12 N ATOM 952 CA LEU A 60 -7.082 24.100 -10.394 1.00 35.54 C ATOM 953 C LEU A 60 -8.000 24.914 -9.487 1.00 20.51 C ATOM 954 O LEU A 60 -8.953 25.539 -9.951 1.00 60.14 O ATOM 955 CB LEU A 60 -7.863 23.596 -11.609 1.00 13.11 C ATOM 956 CG LEU A 60 -7.617 24.342 -12.921 1.00 22.40 C ATOM 957 CD1 LEU A 60 -8.465 23.753 -14.037 1.00 74.41 C ATOM 958 CD2 LEU A 60 -7.908 25.826 -12.754 1.00 23.12 C ATOM 0 H LEU A 60 -5.479 22.930 -9.716 1.00 63.12 H new ATOM 0 HA LEU A 60 -6.271 24.745 -10.733 1.00 35.54 H new ATOM 0 HB2 LEU A 60 -7.620 22.544 -11.761 1.00 13.11 H new ATOM 0 HB3 LEU A 60 -8.927 23.648 -11.379 1.00 13.11 H new ATOM 0 HG LEU A 60 -6.567 24.226 -13.191 1.00 22.40 H new ATOM 0 HD11 LEU A 60 -8.277 24.297 -14.963 1.00 74.41 H new ATOM 0 HD12 LEU A 60 -8.207 22.703 -14.174 1.00 74.41 H new ATOM 0 HD13 LEU A 60 -9.520 23.837 -13.775 1.00 74.41 H new ATOM 0 HD21 LEU A 60 -7.727 26.341 -13.698 1.00 23.12 H new ATOM 0 HD22 LEU A 60 -8.949 25.962 -12.460 1.00 23.12 H new ATOM 0 HD23 LEU A 60 -7.257 26.240 -11.984 1.00 23.12 H new TER 970 LEU A 60