USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=15 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+ -137:sc= -0.0934 (180deg=-0.627) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.456 K(o=-0.46,f=-2.9!) USER MOD Single : A 6 HIS : no HD1:sc= 0.245 K(o=0.24,f=-1.3) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -170:sc=-0.000217 (180deg=-0.0882) USER MOD Single : A 15 ASN : amide:sc= -0.0553 X(o=-0.055,f=-0.055) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -171:sc=-0.00779 (180deg=-0.144) USER MOD Single : A 24 THR OG1 : rot 83:sc= 1.05 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc=-0.00481 K(o=-0.0048,f=-0.94) USER MOD Single : A 37 ASN : amide:sc= -0.0658 K(o=-0.066,f=-1.8!) USER MOD Single : A 39 THR OG1 : rot -73:sc= 0.0695 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+ 162:sc= -0.453 (180deg=-0.931) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 8.829 -4.982 -5.195 1.00 35.40 N ATOM 2 CA LEU A 1 9.308 -3.671 -4.771 1.00 74.23 C ATOM 3 C LEU A 1 8.724 -3.291 -3.414 1.00 51.55 C ATOM 4 O LEU A 1 7.852 -3.980 -2.886 1.00 31.33 O ATOM 5 CB LEU A 1 8.941 -2.612 -5.812 1.00 43.22 C ATOM 6 CG LEU A 1 9.418 -2.881 -7.240 1.00 2.40 C ATOM 7 CD1 LEU A 1 8.652 -2.018 -8.230 1.00 53.51 C ATOM 8 CD2 LEU A 1 10.915 -2.631 -7.358 1.00 54.35 C ATOM 0 H1 LEU A 1 9.619 -5.528 -5.594 1.00 35.40 H new ATOM 0 H2 LEU A 1 8.436 -5.489 -4.377 1.00 35.40 H new ATOM 0 H3 LEU A 1 8.090 -4.865 -5.917 1.00 35.40 H new ATOM 0 HA LEU A 1 10.393 -3.720 -4.678 1.00 74.23 H new ATOM 0 HB2 LEU A 1 7.856 -2.506 -5.826 1.00 43.22 H new ATOM 0 HB3 LEU A 1 9.350 -1.655 -5.488 1.00 43.22 H new ATOM 0 HG LEU A 1 9.225 -3.927 -7.476 1.00 2.40 H new ATOM 0 HD11 LEU A 1 9.005 -2.223 -9.241 1.00 53.51 H new ATOM 0 HD12 LEU A 1 7.588 -2.246 -8.164 1.00 53.51 H new ATOM 0 HD13 LEU A 1 8.813 -0.966 -7.996 1.00 53.51 H new ATOM 0 HD21 LEU A 1 11.237 -2.827 -8.381 1.00 54.35 H new ATOM 0 HD22 LEU A 1 11.132 -1.594 -7.102 1.00 54.35 H new ATOM 0 HD23 LEU A 1 11.449 -3.293 -6.676 1.00 54.35 H new ATOM 20 N LYS A 2 9.209 -2.187 -2.856 1.00 42.21 N ATOM 21 CA LYS A 2 8.734 -1.711 -1.562 1.00 42.24 C ATOM 22 C LYS A 2 8.194 -0.288 -1.671 1.00 22.41 C ATOM 23 O LYS A 2 8.303 0.499 -0.732 1.00 1.22 O ATOM 24 CB LYS A 2 9.864 -1.761 -0.531 1.00 72.51 C ATOM 25 CG LYS A 2 9.460 -2.410 0.782 1.00 63.34 C ATOM 26 CD LYS A 2 8.313 -1.665 1.442 1.00 31.04 C ATOM 27 CE LYS A 2 7.808 -2.399 2.676 1.00 44.34 C ATOM 28 NZ LYS A 2 6.917 -3.536 2.318 1.00 74.41 N ATOM 0 H LYS A 2 9.931 -1.605 -3.280 1.00 42.21 H new ATOM 0 HA LYS A 2 7.925 -2.365 -1.237 1.00 42.24 H new ATOM 0 HB2 LYS A 2 10.706 -2.309 -0.954 1.00 72.51 H new ATOM 0 HB3 LYS A 2 10.210 -0.746 -0.334 1.00 72.51 H new ATOM 0 HG2 LYS A 2 9.168 -3.445 0.603 1.00 63.34 H new ATOM 0 HG3 LYS A 2 10.316 -2.433 1.456 1.00 63.34 H new ATOM 0 HD2 LYS A 2 8.641 -0.664 1.722 1.00 31.04 H new ATOM 0 HD3 LYS A 2 7.497 -1.546 0.729 1.00 31.04 H new ATOM 0 HE2 LYS A 2 8.657 -2.770 3.251 1.00 44.34 H new ATOM 0 HE3 LYS A 2 7.268 -1.702 3.317 1.00 44.34 H new ATOM 0 HZ1 LYS A 2 6.594 -4.010 3.185 1.00 74.41 H new ATOM 0 HZ2 LYS A 2 6.094 -3.180 1.791 1.00 74.41 H new ATOM 0 HZ3 LYS A 2 7.439 -4.214 1.727 1.00 74.41 H new ATOM 42 N GLU A 3 7.611 0.032 -2.822 1.00 11.34 N ATOM 43 CA GLU A 3 7.054 1.360 -3.051 1.00 15.12 C ATOM 44 C GLU A 3 8.137 2.430 -2.950 1.00 62.22 C ATOM 45 O GLU A 3 8.427 2.934 -1.866 1.00 44.13 O ATOM 46 CB GLU A 3 5.939 1.651 -2.043 1.00 25.20 C ATOM 47 CG GLU A 3 4.548 1.334 -2.566 1.00 2.54 C ATOM 48 CD GLU A 3 3.528 1.181 -1.454 1.00 24.11 C ATOM 49 OE1 GLU A 3 3.913 0.728 -0.355 1.00 40.03 O ATOM 50 OE2 GLU A 3 2.347 1.513 -1.682 1.00 74.01 O ATOM 0 H GLU A 3 7.512 -0.609 -3.609 1.00 11.34 H new ATOM 0 HA GLU A 3 6.639 1.382 -4.058 1.00 15.12 H new ATOM 0 HB2 GLU A 3 6.119 1.071 -1.138 1.00 25.20 H new ATOM 0 HB3 GLU A 3 5.981 2.703 -1.761 1.00 25.20 H new ATOM 0 HG2 GLU A 3 4.228 2.128 -3.241 1.00 2.54 H new ATOM 0 HG3 GLU A 3 4.584 0.414 -3.150 1.00 2.54 H new ATOM 57 N ASN A 4 8.732 2.770 -4.089 1.00 0.10 N ATOM 58 CA ASN A 4 9.785 3.779 -4.130 1.00 34.32 C ATOM 59 C ASN A 4 9.327 5.011 -4.905 1.00 24.13 C ATOM 60 O ASN A 4 10.143 5.740 -5.469 1.00 3.00 O ATOM 61 CB ASN A 4 11.049 3.201 -4.769 1.00 20.23 C ATOM 62 CG ASN A 4 10.777 2.570 -6.121 1.00 2.22 C ATOM 63 OD1 ASN A 4 10.080 3.145 -6.957 1.00 71.31 O ATOM 64 ND2 ASN A 4 11.328 1.382 -6.341 1.00 2.20 N ATOM 0 H ASN A 4 8.503 2.362 -4.995 1.00 0.10 H new ATOM 0 HA ASN A 4 10.008 4.078 -3.106 1.00 34.32 H new ATOM 0 HB2 ASN A 4 11.790 3.993 -4.883 1.00 20.23 H new ATOM 0 HB3 ASN A 4 11.481 2.454 -4.103 1.00 20.23 H new ATOM 0 HD21 ASN A 4 11.181 0.909 -7.232 1.00 2.20 H new ATOM 0 HD22 ASN A 4 11.899 0.943 -5.619 1.00 2.20 H new ATOM 71 N ASP A 5 8.019 5.237 -4.927 1.00 34.02 N ATOM 72 CA ASP A 5 7.452 6.382 -5.631 1.00 22.33 C ATOM 73 C ASP A 5 6.446 7.117 -4.751 1.00 2.22 C ATOM 74 O ASP A 5 6.529 8.334 -4.578 1.00 63.31 O ATOM 75 CB ASP A 5 6.779 5.928 -6.927 1.00 41.41 C ATOM 76 CG ASP A 5 6.815 6.996 -8.002 1.00 41.53 C ATOM 77 OD1 ASP A 5 7.843 7.098 -8.704 1.00 5.21 O ATOM 78 OD2 ASP A 5 5.815 7.730 -8.143 1.00 14.21 O ATOM 0 H ASP A 5 7.330 4.643 -4.465 1.00 34.02 H new ATOM 0 HA ASP A 5 8.264 7.067 -5.873 1.00 22.33 H new ATOM 0 HB2 ASP A 5 7.274 5.029 -7.295 1.00 41.41 H new ATOM 0 HB3 ASP A 5 5.743 5.659 -6.720 1.00 41.41 H new ATOM 83 N HIS A 6 5.495 6.371 -4.197 1.00 41.34 N ATOM 84 CA HIS A 6 4.472 6.953 -3.335 1.00 61.35 C ATOM 85 C HIS A 6 5.037 7.260 -1.952 1.00 65.50 C ATOM 86 O HIS A 6 4.716 8.285 -1.353 1.00 51.31 O ATOM 87 CB HIS A 6 3.279 6.004 -3.213 1.00 2.21 C ATOM 88 CG HIS A 6 2.004 6.691 -2.831 1.00 4.32 C ATOM 89 ND1 HIS A 6 0.917 6.023 -2.309 1.00 55.54 N ATOM 90 CD2 HIS A 6 1.648 7.995 -2.895 1.00 50.52 C ATOM 91 CE1 HIS A 6 -0.055 6.887 -2.071 1.00 64.22 C ATOM 92 NE2 HIS A 6 0.364 8.091 -2.418 1.00 30.34 N ATOM 0 H HIS A 6 5.412 5.363 -4.330 1.00 41.34 H new ATOM 0 HA HIS A 6 4.139 7.887 -3.787 1.00 61.35 H new ATOM 0 HB2 HIS A 6 3.135 5.491 -4.164 1.00 2.21 H new ATOM 0 HB3 HIS A 6 3.507 5.240 -2.470 1.00 2.21 H new ATOM 0 HD2 HIS A 6 2.260 8.809 -3.254 1.00 50.52 H new ATOM 0 HE1 HIS A 6 -1.026 6.649 -1.663 1.00 64.22 H new ATOM 0 HE2 HIS A 6 -0.178 8.952 -2.344 1.00 30.34 H new ATOM 100 N ALA A 7 5.881 6.363 -1.450 1.00 74.15 N ATOM 101 CA ALA A 7 6.491 6.539 -0.139 1.00 23.33 C ATOM 102 C ALA A 7 7.218 7.876 -0.046 1.00 40.11 C ATOM 103 O ALA A 7 7.014 8.640 0.898 1.00 63.14 O ATOM 104 CB ALA A 7 7.449 5.394 0.155 1.00 23.22 C ATOM 0 H ALA A 7 6.157 5.508 -1.932 1.00 74.15 H new ATOM 0 HA ALA A 7 5.696 6.535 0.607 1.00 23.33 H new ATOM 0 HB1 ALA A 7 7.898 5.538 1.138 1.00 23.22 H new ATOM 0 HB2 ALA A 7 6.904 4.450 0.140 1.00 23.22 H new ATOM 0 HB3 ALA A 7 8.233 5.372 -0.602 1.00 23.22 H new ATOM 110 N ARG A 8 8.067 8.153 -1.031 1.00 35.50 N ATOM 111 CA ARG A 8 8.825 9.397 -1.059 1.00 40.30 C ATOM 112 C ARG A 8 7.890 10.603 -1.079 1.00 3.25 C ATOM 113 O ARG A 8 8.004 11.503 -0.246 1.00 51.54 O ATOM 114 CB ARG A 8 9.745 9.432 -2.281 1.00 73.51 C ATOM 115 CG ARG A 8 10.438 8.108 -2.559 1.00 32.31 C ATOM 116 CD ARG A 8 11.929 8.297 -2.787 1.00 24.15 C ATOM 117 NE ARG A 8 12.630 8.653 -1.556 1.00 22.45 N ATOM 118 CZ ARG A 8 12.987 7.768 -0.631 1.00 61.22 C ATOM 119 NH1 ARG A 8 12.711 6.482 -0.798 1.00 71.20 N ATOM 120 NH2 ARG A 8 13.622 8.169 0.463 1.00 63.15 N ATOM 0 H ARG A 8 8.247 7.532 -1.820 1.00 35.50 H new ATOM 0 HA ARG A 8 9.432 9.443 -0.155 1.00 40.30 H new ATOM 0 HB2 ARG A 8 9.162 9.718 -3.156 1.00 73.51 H new ATOM 0 HB3 ARG A 8 10.500 10.204 -2.135 1.00 73.51 H new ATOM 0 HG2 ARG A 8 10.280 7.430 -1.720 1.00 32.31 H new ATOM 0 HG3 ARG A 8 9.991 7.639 -3.436 1.00 32.31 H new ATOM 0 HD2 ARG A 8 12.353 7.379 -3.193 1.00 24.15 H new ATOM 0 HD3 ARG A 8 12.086 9.077 -3.532 1.00 24.15 H new ATOM 0 HE ARG A 8 12.858 9.634 -1.398 1.00 22.45 H new ATOM 0 HH11 ARG A 8 12.224 6.170 -1.638 1.00 71.20 H new ATOM 0 HH12 ARG A 8 12.986 5.805 -0.087 1.00 71.20 H new ATOM 0 HH21 ARG A 8 13.837 9.157 0.595 1.00 63.15 H new ATOM 0 HH22 ARG A 8 13.895 7.489 1.172 1.00 63.15 H new ATOM 134 N PHE A 9 6.967 10.614 -2.034 1.00 40.22 N ATOM 135 CA PHE A 9 6.013 11.710 -2.163 1.00 65.04 C ATOM 136 C PHE A 9 5.270 11.942 -0.851 1.00 70.52 C ATOM 137 O PHE A 9 5.140 13.076 -0.390 1.00 11.22 O ATOM 138 CB PHE A 9 5.014 11.415 -3.284 1.00 30.12 C ATOM 139 CG PHE A 9 5.227 12.251 -4.513 1.00 43.30 C ATOM 140 CD1 PHE A 9 4.154 12.846 -5.157 1.00 64.34 C ATOM 141 CD2 PHE A 9 6.501 12.443 -5.024 1.00 72.54 C ATOM 142 CE1 PHE A 9 4.347 13.616 -6.289 1.00 2.24 C ATOM 143 CE2 PHE A 9 6.700 13.212 -6.155 1.00 13.31 C ATOM 144 CZ PHE A 9 5.622 13.799 -6.788 1.00 74.25 C ATOM 0 H PHE A 9 6.859 9.877 -2.730 1.00 40.22 H new ATOM 0 HA PHE A 9 6.568 12.615 -2.410 1.00 65.04 H new ATOM 0 HB2 PHE A 9 5.085 10.361 -3.554 1.00 30.12 H new ATOM 0 HB3 PHE A 9 4.003 11.582 -2.912 1.00 30.12 H new ATOM 0 HD1 PHE A 9 3.155 12.707 -4.770 1.00 64.34 H new ATOM 0 HD2 PHE A 9 7.348 11.987 -4.533 1.00 72.54 H new ATOM 0 HE1 PHE A 9 3.502 14.074 -6.782 1.00 2.24 H new ATOM 0 HE2 PHE A 9 7.698 13.354 -6.543 1.00 13.31 H new ATOM 0 HZ PHE A 9 5.776 14.400 -7.672 1.00 74.25 H new ATOM 154 N LEU A 10 4.783 10.859 -0.255 1.00 64.30 N ATOM 155 CA LEU A 10 4.052 10.942 1.004 1.00 11.24 C ATOM 156 C LEU A 10 4.909 11.586 2.090 1.00 34.30 C ATOM 157 O LEU A 10 4.436 12.436 2.844 1.00 73.13 O ATOM 158 CB LEU A 10 3.605 9.549 1.450 1.00 32.05 C ATOM 159 CG LEU A 10 2.095 9.313 1.502 1.00 11.33 C ATOM 160 CD1 LEU A 10 1.763 7.885 1.100 1.00 65.32 C ATOM 161 CD2 LEU A 10 1.555 9.616 2.893 1.00 42.45 C ATOM 0 H LEU A 10 4.881 9.913 -0.624 1.00 64.30 H new ATOM 0 HA LEU A 10 3.172 11.565 0.844 1.00 11.24 H new ATOM 0 HB2 LEU A 10 4.044 8.815 0.775 1.00 32.05 H new ATOM 0 HB3 LEU A 10 4.017 9.357 2.441 1.00 32.05 H new ATOM 0 HG LEU A 10 1.617 9.989 0.793 1.00 11.33 H new ATOM 0 HD11 LEU A 10 0.684 7.736 1.143 1.00 65.32 H new ATOM 0 HD12 LEU A 10 2.114 7.702 0.084 1.00 65.32 H new ATOM 0 HD13 LEU A 10 2.252 7.191 1.784 1.00 65.32 H new ATOM 0 HD21 LEU A 10 0.479 9.443 2.911 1.00 42.45 H new ATOM 0 HD22 LEU A 10 2.040 8.966 3.621 1.00 42.45 H new ATOM 0 HD23 LEU A 10 1.759 10.657 3.144 1.00 42.45 H new ATOM 173 N GLN A 11 6.171 11.175 2.162 1.00 53.34 N ATOM 174 CA GLN A 11 7.093 11.713 3.154 1.00 3.42 C ATOM 175 C GLN A 11 7.164 13.234 3.064 1.00 50.23 C ATOM 176 O GLN A 11 7.406 13.916 4.060 1.00 4.12 O ATOM 177 CB GLN A 11 8.488 11.114 2.963 1.00 34.13 C ATOM 178 CG GLN A 11 8.755 9.904 3.843 1.00 22.34 C ATOM 179 CD GLN A 11 10.230 9.707 4.132 1.00 64.41 C ATOM 180 OE1 GLN A 11 10.875 10.560 4.742 1.00 12.03 O ATOM 181 NE2 GLN A 11 10.774 8.577 3.693 1.00 12.15 N ATOM 0 H GLN A 11 6.578 10.472 1.545 1.00 53.34 H new ATOM 0 HA GLN A 11 6.721 11.443 4.142 1.00 3.42 H new ATOM 0 HB2 GLN A 11 8.612 10.828 1.919 1.00 34.13 H new ATOM 0 HB3 GLN A 11 9.235 11.879 3.175 1.00 34.13 H new ATOM 0 HG2 GLN A 11 8.216 10.018 4.784 1.00 22.34 H new ATOM 0 HG3 GLN A 11 8.362 9.012 3.356 1.00 22.34 H new ATOM 0 HE21 GLN A 11 10.203 7.897 3.192 1.00 12.15 H new ATOM 0 HE22 GLN A 11 11.763 8.390 3.857 1.00 12.15 H new ATOM 190 N THR A 12 6.951 13.761 1.862 1.00 50.21 N ATOM 191 CA THR A 12 6.992 15.201 1.641 1.00 40.14 C ATOM 192 C THR A 12 5.728 15.874 2.163 1.00 31.02 C ATOM 193 O THR A 12 5.794 16.780 2.993 1.00 54.30 O ATOM 194 CB THR A 12 7.157 15.535 0.146 1.00 5.30 C ATOM 195 OG1 THR A 12 8.481 15.202 -0.287 1.00 30.40 O ATOM 196 CG2 THR A 12 6.891 17.011 -0.111 1.00 62.22 C ATOM 0 H THR A 12 6.748 13.212 1.027 1.00 50.21 H new ATOM 0 HA THR A 12 7.855 15.580 2.189 1.00 40.14 H new ATOM 0 HB THR A 12 6.432 14.947 -0.417 1.00 5.30 H new ATOM 0 HG1 THR A 12 8.577 15.416 -1.239 1.00 30.40 H new ATOM 0 HG21 THR A 12 7.013 17.223 -1.173 1.00 62.22 H new ATOM 0 HG22 THR A 12 5.873 17.256 0.193 1.00 62.22 H new ATOM 0 HG23 THR A 12 7.596 17.613 0.463 1.00 62.22 H new ATOM 204 N ALA A 13 4.578 15.424 1.673 1.00 53.14 N ATOM 205 CA ALA A 13 3.298 15.981 2.093 1.00 50.33 C ATOM 206 C ALA A 13 3.192 16.027 3.613 1.00 34.42 C ATOM 207 O ALA A 13 2.771 17.031 4.187 1.00 14.21 O ATOM 208 CB ALA A 13 2.151 15.172 1.505 1.00 25.43 C ATOM 0 H ALA A 13 4.506 14.675 0.984 1.00 53.14 H new ATOM 0 HA ALA A 13 3.235 17.003 1.720 1.00 50.33 H new ATOM 0 HB1 ALA A 13 1.202 15.600 1.827 1.00 25.43 H new ATOM 0 HB2 ALA A 13 2.209 15.196 0.417 1.00 25.43 H new ATOM 0 HB3 ALA A 13 2.220 14.140 1.849 1.00 25.43 H new ATOM 214 N LYS A 14 3.575 14.932 4.261 1.00 31.23 N ATOM 215 CA LYS A 14 3.524 14.846 5.716 1.00 75.31 C ATOM 216 C LYS A 14 4.571 15.754 6.352 1.00 21.20 C ATOM 217 O LYS A 14 4.280 16.485 7.297 1.00 10.52 O ATOM 218 CB LYS A 14 3.742 13.401 6.170 1.00 64.21 C ATOM 219 CG LYS A 14 2.589 12.837 6.981 1.00 73.42 C ATOM 220 CD LYS A 14 2.469 11.332 6.809 1.00 65.44 C ATOM 221 CE LYS A 14 1.385 10.752 7.704 1.00 4.24 C ATOM 222 NZ LYS A 14 1.773 10.792 9.142 1.00 43.54 N ATOM 0 H LYS A 14 3.924 14.091 3.801 1.00 31.23 H new ATOM 0 HA LYS A 14 2.537 15.177 6.040 1.00 75.31 H new ATOM 0 HB2 LYS A 14 3.899 12.773 5.293 1.00 64.21 H new ATOM 0 HB3 LYS A 14 4.653 13.350 6.766 1.00 64.21 H new ATOM 0 HG2 LYS A 14 2.735 13.073 8.035 1.00 73.42 H new ATOM 0 HG3 LYS A 14 1.659 13.315 6.673 1.00 73.42 H new ATOM 0 HD2 LYS A 14 2.244 11.101 5.768 1.00 65.44 H new ATOM 0 HD3 LYS A 14 3.424 10.861 7.041 1.00 65.44 H new ATOM 0 HE2 LYS A 14 0.460 11.310 7.562 1.00 4.24 H new ATOM 0 HE3 LYS A 14 1.184 9.722 7.410 1.00 4.24 H new ATOM 0 HZ1 LYS A 14 1.092 10.240 9.701 1.00 43.54 H new ATOM 0 HZ2 LYS A 14 2.724 10.387 9.256 1.00 43.54 H new ATOM 0 HZ3 LYS A 14 1.775 11.778 9.474 1.00 43.54 H new ATOM 236 N ASN A 15 5.791 15.702 5.826 1.00 34.00 N ATOM 237 CA ASN A 15 6.881 16.521 6.342 1.00 2.04 C ATOM 238 C ASN A 15 6.510 18.001 6.316 1.00 61.34 C ATOM 239 O ASN A 15 7.056 18.802 7.075 1.00 30.41 O ATOM 240 CB ASN A 15 8.153 16.288 5.525 1.00 62.22 C ATOM 241 CG ASN A 15 9.267 17.245 5.902 1.00 11.45 C ATOM 242 OD1 ASN A 15 9.637 17.354 7.071 1.00 25.14 O ATOM 243 ND2 ASN A 15 9.806 17.946 4.911 1.00 21.25 N ATOM 0 H ASN A 15 6.049 15.101 5.043 1.00 34.00 H new ATOM 0 HA ASN A 15 7.063 16.229 7.376 1.00 2.04 H new ATOM 0 HB2 ASN A 15 8.493 15.263 5.672 1.00 62.22 H new ATOM 0 HB3 ASN A 15 7.926 16.399 4.465 1.00 62.22 H new ATOM 0 HD21 ASN A 15 10.558 18.607 5.104 1.00 21.25 H new ATOM 0 HD22 ASN A 15 9.468 17.823 3.957 1.00 21.25 H new ATOM 250 N ILE A 16 5.579 18.356 5.437 1.00 72.51 N ATOM 251 CA ILE A 16 5.134 19.738 5.313 1.00 73.14 C ATOM 252 C ILE A 16 4.268 20.146 6.500 1.00 61.30 C ATOM 253 O ILE A 16 4.547 21.138 7.175 1.00 74.53 O ATOM 254 CB ILE A 16 4.338 19.959 4.012 1.00 25.42 C ATOM 255 CG1 ILE A 16 5.239 19.740 2.795 1.00 41.53 C ATOM 256 CG2 ILE A 16 3.737 21.356 3.990 1.00 63.13 C ATOM 257 CD1 ILE A 16 4.503 19.202 1.588 1.00 45.14 C ATOM 0 H ILE A 16 5.118 17.706 4.800 1.00 72.51 H new ATOM 0 HA ILE A 16 6.031 20.357 5.291 1.00 73.14 H new ATOM 0 HB ILE A 16 3.524 19.235 3.973 1.00 25.42 H new ATOM 0 HG12 ILE A 16 5.714 20.685 2.530 1.00 41.53 H new ATOM 0 HG13 ILE A 16 6.036 19.047 3.063 1.00 41.53 H new ATOM 0 HG21 ILE A 16 3.178 21.497 3.065 1.00 63.13 H new ATOM 0 HG22 ILE A 16 3.067 21.477 4.841 1.00 63.13 H new ATOM 0 HG23 ILE A 16 4.535 22.096 4.048 1.00 63.13 H new ATOM 0 HD11 ILE A 16 5.203 19.071 0.763 1.00 45.14 H new ATOM 0 HD12 ILE A 16 4.051 18.242 1.836 1.00 45.14 H new ATOM 0 HD13 ILE A 16 3.723 19.905 1.294 1.00 45.14 H new ATOM 269 N THR A 17 3.216 19.372 6.752 1.00 43.51 N ATOM 270 CA THR A 17 2.310 19.652 7.858 1.00 33.02 C ATOM 271 C THR A 17 2.910 19.206 9.187 1.00 75.13 C ATOM 272 O THR A 17 2.420 19.575 10.254 1.00 40.04 O ATOM 273 CB THR A 17 0.951 18.954 7.661 1.00 31.32 C ATOM 274 OG1 THR A 17 0.744 18.668 6.273 1.00 15.24 O ATOM 275 CG2 THR A 17 -0.184 19.823 8.180 1.00 35.15 C ATOM 0 H THR A 17 2.971 18.547 6.205 1.00 43.51 H new ATOM 0 HA THR A 17 2.157 20.731 7.876 1.00 33.02 H new ATOM 0 HB THR A 17 0.961 18.022 8.226 1.00 31.32 H new ATOM 0 HG1 THR A 17 -0.121 18.223 6.156 1.00 15.24 H new ATOM 0 HG21 THR A 17 -1.134 19.309 8.030 1.00 35.15 H new ATOM 0 HG22 THR A 17 -0.039 20.014 9.243 1.00 35.15 H new ATOM 0 HG23 THR A 17 -0.194 20.769 7.639 1.00 35.15 H new ATOM 283 N GLU A 18 3.972 18.411 9.114 1.00 63.33 N ATOM 284 CA GLU A 18 4.638 17.915 10.312 1.00 22.24 C ATOM 285 C GLU A 18 5.673 18.917 10.814 1.00 45.40 C ATOM 286 O GLU A 18 5.827 19.117 12.019 1.00 22.41 O ATOM 287 CB GLU A 18 5.310 16.569 10.030 1.00 42.51 C ATOM 288 CG GLU A 18 4.345 15.396 10.027 1.00 23.34 C ATOM 289 CD GLU A 18 3.828 15.063 11.413 1.00 13.13 C ATOM 290 OE1 GLU A 18 4.627 14.586 12.246 1.00 61.54 O ATOM 291 OE2 GLU A 18 2.624 15.280 11.666 1.00 62.34 O ATOM 0 H GLU A 18 4.390 18.097 8.238 1.00 63.33 H new ATOM 0 HA GLU A 18 3.883 17.780 11.086 1.00 22.24 H new ATOM 0 HB2 GLU A 18 5.812 16.618 9.064 1.00 42.51 H new ATOM 0 HB3 GLU A 18 6.081 16.393 10.781 1.00 42.51 H new ATOM 0 HG2 GLU A 18 3.503 15.625 9.374 1.00 23.34 H new ATOM 0 HG3 GLU A 18 4.843 14.521 9.609 1.00 23.34 H new ATOM 298 N ARG A 19 6.381 19.545 9.881 1.00 41.25 N ATOM 299 CA ARG A 19 7.403 20.526 10.227 1.00 60.31 C ATOM 300 C ARG A 19 6.769 21.800 10.777 1.00 44.34 C ATOM 301 O ARG A 19 7.328 22.454 11.658 1.00 42.05 O ATOM 302 CB ARG A 19 8.259 20.856 9.003 1.00 60.12 C ATOM 303 CG ARG A 19 9.579 21.528 9.346 1.00 75.14 C ATOM 304 CD ARG A 19 9.902 22.650 8.372 1.00 55.41 C ATOM 305 NE ARG A 19 11.152 23.325 8.709 1.00 24.52 N ATOM 306 CZ ARG A 19 11.666 24.321 7.996 1.00 34.03 C ATOM 307 NH1 ARG A 19 11.038 24.757 6.913 1.00 64.14 N ATOM 308 NH2 ARG A 19 12.809 24.884 8.367 1.00 35.14 N ATOM 0 H ARG A 19 6.266 19.392 8.879 1.00 41.25 H new ATOM 0 HA ARG A 19 8.039 20.094 11.000 1.00 60.31 H new ATOM 0 HB2 ARG A 19 8.461 19.937 8.453 1.00 60.12 H new ATOM 0 HB3 ARG A 19 7.691 21.507 8.338 1.00 60.12 H new ATOM 0 HG2 ARG A 19 9.533 21.926 10.360 1.00 75.14 H new ATOM 0 HG3 ARG A 19 10.380 20.789 9.330 1.00 75.14 H new ATOM 0 HD2 ARG A 19 9.970 22.245 7.362 1.00 55.41 H new ATOM 0 HD3 ARG A 19 9.088 23.375 8.371 1.00 55.41 H new ATOM 0 HE ARG A 19 11.659 23.015 9.538 1.00 24.52 H new ATOM 0 HH11 ARG A 19 10.158 24.328 6.626 1.00 64.14 H new ATOM 0 HH12 ARG A 19 11.434 25.522 6.367 1.00 64.14 H new ATOM 0 HH21 ARG A 19 13.294 24.552 9.201 1.00 35.14 H new ATOM 0 HH22 ARG A 19 13.202 25.649 7.819 1.00 35.14 H new ATOM 322 N VAL A 20 5.599 22.148 10.250 1.00 4.21 N ATOM 323 CA VAL A 20 4.889 23.344 10.688 1.00 22.20 C ATOM 324 C VAL A 20 4.338 23.170 12.099 1.00 44.11 C ATOM 325 O VAL A 20 4.463 24.061 12.939 1.00 54.20 O ATOM 326 CB VAL A 20 3.729 23.688 9.735 1.00 45.52 C ATOM 327 CG1 VAL A 20 2.765 22.518 9.622 1.00 63.55 C ATOM 328 CG2 VAL A 20 3.007 24.941 10.207 1.00 52.12 C ATOM 0 H VAL A 20 5.123 21.619 9.519 1.00 4.21 H new ATOM 0 HA VAL A 20 5.610 24.161 10.681 1.00 22.20 H new ATOM 0 HB VAL A 20 4.141 23.884 8.745 1.00 45.52 H new ATOM 0 HG11 VAL A 20 1.952 22.780 8.945 1.00 63.55 H new ATOM 0 HG12 VAL A 20 3.294 21.647 9.235 1.00 63.55 H new ATOM 0 HG13 VAL A 20 2.357 22.287 10.606 1.00 63.55 H new ATOM 0 HG21 VAL A 20 2.190 25.170 9.522 1.00 52.12 H new ATOM 0 HG22 VAL A 20 2.607 24.775 11.207 1.00 52.12 H new ATOM 0 HG23 VAL A 20 3.706 25.777 10.230 1.00 52.12 H new ATOM 338 N SER A 21 3.730 22.016 12.353 1.00 55.14 N ATOM 339 CA SER A 21 3.156 21.726 13.662 1.00 62.14 C ATOM 340 C SER A 21 4.210 21.856 14.757 1.00 11.12 C ATOM 341 O SER A 21 4.012 22.568 15.742 1.00 65.52 O ATOM 342 CB SER A 21 2.557 20.318 13.679 1.00 44.21 C ATOM 343 OG SER A 21 1.286 20.313 14.304 1.00 74.50 O ATOM 0 H SER A 21 3.622 21.266 11.670 1.00 55.14 H new ATOM 0 HA SER A 21 2.366 22.451 13.854 1.00 62.14 H new ATOM 0 HB2 SER A 21 2.466 19.946 12.659 1.00 44.21 H new ATOM 0 HB3 SER A 21 3.228 19.640 14.207 1.00 44.21 H new ATOM 0 HG SER A 21 0.923 19.403 14.301 1.00 74.50 H new ATOM 349 N MET A 22 5.330 21.163 14.578 1.00 52.43 N ATOM 350 CA MET A 22 6.416 21.202 15.550 1.00 70.01 C ATOM 351 C MET A 22 6.928 22.627 15.737 1.00 71.31 C ATOM 352 O MET A 22 7.199 23.056 16.858 1.00 45.44 O ATOM 353 CB MET A 22 7.561 20.291 15.104 1.00 70.32 C ATOM 354 CG MET A 22 7.442 18.867 15.623 1.00 4.15 C ATOM 355 SD MET A 22 8.974 17.933 15.445 1.00 23.14 S ATOM 356 CE MET A 22 9.157 17.919 13.664 1.00 44.32 C ATOM 0 H MET A 22 5.509 20.568 13.769 1.00 52.43 H new ATOM 0 HA MET A 22 6.028 20.846 16.505 1.00 70.01 H new ATOM 0 HB2 MET A 22 7.595 20.270 14.015 1.00 70.32 H new ATOM 0 HB3 MET A 22 8.506 20.715 15.444 1.00 70.32 H new ATOM 0 HG2 MET A 22 7.155 18.890 16.674 1.00 4.15 H new ATOM 0 HG3 MET A 22 6.644 18.354 15.086 1.00 4.15 H new ATOM 0 HE1 MET A 22 9.968 17.246 13.387 1.00 44.32 H new ATOM 0 HE2 MET A 22 8.229 17.577 13.206 1.00 44.32 H new ATOM 0 HE3 MET A 22 9.386 18.926 13.314 1.00 44.32 H new ATOM 366 N ALA A 23 7.057 23.354 14.632 1.00 3.02 N ATOM 367 CA ALA A 23 7.535 24.730 14.675 1.00 11.53 C ATOM 368 C ALA A 23 6.567 25.624 15.444 1.00 72.43 C ATOM 369 O ALA A 23 6.923 26.208 16.468 1.00 61.43 O ATOM 370 CB ALA A 23 7.740 25.262 13.265 1.00 44.33 C ATOM 0 H ALA A 23 6.837 23.013 13.696 1.00 3.02 H new ATOM 0 HA ALA A 23 8.491 24.740 15.198 1.00 11.53 H new ATOM 0 HB1 ALA A 23 8.097 26.291 13.313 1.00 44.33 H new ATOM 0 HB2 ALA A 23 8.475 24.646 12.747 1.00 44.33 H new ATOM 0 HB3 ALA A 23 6.795 25.231 12.723 1.00 44.33 H new ATOM 376 N THR A 24 5.339 25.727 14.943 1.00 25.20 N ATOM 377 CA THR A 24 4.320 26.550 15.581 1.00 4.32 C ATOM 378 C THR A 24 4.138 26.164 17.044 1.00 21.14 C ATOM 379 O THR A 24 3.986 27.026 17.909 1.00 33.24 O ATOM 380 CB THR A 24 2.966 26.429 14.857 1.00 0.35 C ATOM 381 OG1 THR A 24 3.176 26.191 13.461 1.00 22.23 O ATOM 382 CG2 THR A 24 2.139 27.693 15.042 1.00 31.44 C ATOM 0 H THR A 24 5.027 25.250 14.097 1.00 25.20 H new ATOM 0 HA THR A 24 4.664 27.582 15.521 1.00 4.32 H new ATOM 0 HB THR A 24 2.421 25.590 15.290 1.00 0.35 H new ATOM 0 HG1 THR A 24 3.331 25.235 13.312 1.00 22.23 H new ATOM 0 HG21 THR A 24 1.187 27.584 14.522 1.00 31.44 H new ATOM 0 HG22 THR A 24 1.956 27.856 16.104 1.00 31.44 H new ATOM 0 HG23 THR A 24 2.681 28.546 14.633 1.00 31.44 H new ATOM 390 N ALA A 25 4.156 24.863 17.315 1.00 75.24 N ATOM 391 CA ALA A 25 3.995 24.363 18.674 1.00 32.33 C ATOM 392 C ALA A 25 5.108 24.874 19.582 1.00 0.04 C ATOM 393 O ALA A 25 4.881 25.158 20.759 1.00 65.34 O ATOM 394 CB ALA A 25 3.966 22.841 18.677 1.00 13.41 C ATOM 0 H ALA A 25 4.281 24.136 16.610 1.00 75.24 H new ATOM 0 HA ALA A 25 3.046 24.734 19.061 1.00 32.33 H new ATOM 0 HB1 ALA A 25 3.845 22.481 19.699 1.00 13.41 H new ATOM 0 HB2 ALA A 25 3.132 22.492 18.068 1.00 13.41 H new ATOM 0 HB3 ALA A 25 4.900 22.458 18.266 1.00 13.41 H new ATOM 400 N SER A 26 6.311 24.989 19.029 1.00 21.31 N ATOM 401 CA SER A 26 7.461 25.462 19.791 1.00 71.20 C ATOM 402 C SER A 26 7.701 26.948 19.546 1.00 53.41 C ATOM 403 O SER A 26 8.697 27.511 20.000 1.00 62.24 O ATOM 404 CB SER A 26 8.711 24.663 19.416 1.00 1.44 C ATOM 405 OG SER A 26 9.170 23.891 20.512 1.00 70.41 O ATOM 0 H SER A 26 6.515 24.761 18.056 1.00 21.31 H new ATOM 0 HA SER A 26 7.249 25.316 20.850 1.00 71.20 H new ATOM 0 HB2 SER A 26 8.489 24.008 18.573 1.00 1.44 H new ATOM 0 HB3 SER A 26 9.498 25.344 19.092 1.00 1.44 H new ATOM 0 HG SER A 26 9.968 23.388 20.247 1.00 70.41 H new ATOM 411 N SER A 27 6.779 27.579 18.825 1.00 62.02 N ATOM 412 CA SER A 27 6.891 29.000 18.515 1.00 30.51 C ATOM 413 C SER A 27 5.982 29.826 19.420 1.00 23.02 C ATOM 414 O SER A 27 6.324 30.943 19.806 1.00 4.25 O ATOM 415 CB SER A 27 6.536 29.253 17.049 1.00 61.03 C ATOM 416 OG SER A 27 7.683 29.624 16.303 1.00 13.33 O ATOM 0 H SER A 27 5.946 27.129 18.445 1.00 62.02 H new ATOM 0 HA SER A 27 7.923 29.305 18.689 1.00 30.51 H new ATOM 0 HB2 SER A 27 6.093 28.355 16.619 1.00 61.03 H new ATOM 0 HB3 SER A 27 5.786 30.041 16.984 1.00 61.03 H new ATOM 0 HG SER A 27 7.430 29.778 15.369 1.00 13.33 H new ATOM 422 N GLN A 28 4.823 29.267 19.754 1.00 44.34 N ATOM 423 CA GLN A 28 3.865 29.952 20.612 1.00 13.55 C ATOM 424 C GLN A 28 3.474 29.077 21.799 1.00 43.40 C ATOM 425 O GLN A 28 3.942 29.286 22.918 1.00 3.33 O ATOM 426 CB GLN A 28 2.617 30.337 19.815 1.00 44.11 C ATOM 427 CG GLN A 28 2.850 31.474 18.833 1.00 72.01 C ATOM 428 CD GLN A 28 1.638 31.753 17.965 1.00 21.35 C ATOM 429 OE1 GLN A 28 1.531 31.248 16.847 1.00 23.14 O ATOM 430 NE2 GLN A 28 0.716 32.560 18.477 1.00 23.13 N ATOM 0 H GLN A 28 4.526 28.342 19.443 1.00 44.34 H new ATOM 0 HA GLN A 28 4.339 30.857 20.991 1.00 13.55 H new ATOM 0 HB2 GLN A 28 2.261 29.463 19.269 1.00 44.11 H new ATOM 0 HB3 GLN A 28 1.827 30.623 20.509 1.00 44.11 H new ATOM 0 HG2 GLN A 28 3.113 32.377 19.384 1.00 72.01 H new ATOM 0 HG3 GLN A 28 3.700 31.230 18.196 1.00 72.01 H new ATOM 0 HE21 GLN A 28 0.845 32.957 19.408 1.00 23.13 H new ATOM 0 HE22 GLN A 28 -0.122 32.783 17.939 1.00 23.13 H new ATOM 439 N VAL A 29 2.613 28.097 21.547 1.00 62.43 N ATOM 440 CA VAL A 29 2.160 27.189 22.594 1.00 61.11 C ATOM 441 C VAL A 29 1.193 26.149 22.039 1.00 12.23 C ATOM 442 O VAL A 29 1.165 25.005 22.496 1.00 54.53 O ATOM 443 CB VAL A 29 1.473 27.954 23.741 1.00 75.44 C ATOM 444 CG1 VAL A 29 0.344 28.821 23.203 1.00 24.23 C ATOM 445 CG2 VAL A 29 0.956 26.984 24.793 1.00 71.35 C ATOM 0 H VAL A 29 2.215 27.911 20.626 1.00 62.43 H new ATOM 0 HA VAL A 29 3.045 26.686 22.982 1.00 61.11 H new ATOM 0 HB VAL A 29 2.208 28.607 24.211 1.00 75.44 H new ATOM 0 HG11 VAL A 29 -0.130 29.354 24.027 1.00 24.23 H new ATOM 0 HG12 VAL A 29 0.746 29.540 22.489 1.00 24.23 H new ATOM 0 HG13 VAL A 29 -0.394 28.191 22.707 1.00 24.23 H new ATOM 0 HG21 VAL A 29 0.474 27.541 25.596 1.00 71.35 H new ATOM 0 HG22 VAL A 29 0.235 26.305 24.338 1.00 71.35 H new ATOM 0 HG23 VAL A 29 1.789 26.410 25.199 1.00 71.35 H new ATOM 455 N LEU A 30 0.401 26.553 21.052 1.00 42.11 N ATOM 456 CA LEU A 30 -0.569 25.656 20.433 1.00 5.10 C ATOM 457 C LEU A 30 -1.653 25.257 21.428 1.00 32.53 C ATOM 458 O LEU A 30 -1.669 24.130 21.925 1.00 61.11 O ATOM 459 CB LEU A 30 0.133 24.407 19.897 1.00 74.23 C ATOM 460 CG LEU A 30 -0.554 23.702 18.726 1.00 31.03 C ATOM 461 CD1 LEU A 30 0.217 23.934 17.436 1.00 25.15 C ATOM 462 CD2 LEU A 30 -0.692 22.213 19.007 1.00 23.32 C ATOM 0 H LEU A 30 0.411 27.496 20.663 1.00 42.11 H new ATOM 0 HA LEU A 30 -1.040 26.185 19.604 1.00 5.10 H new ATOM 0 HB2 LEU A 30 1.140 24.685 19.587 1.00 74.23 H new ATOM 0 HB3 LEU A 30 0.237 23.694 20.715 1.00 74.23 H new ATOM 0 HG LEU A 30 -1.552 24.123 18.609 1.00 31.03 H new ATOM 0 HD11 LEU A 30 -0.287 23.425 16.614 1.00 25.15 H new ATOM 0 HD12 LEU A 30 0.263 25.003 17.227 1.00 25.15 H new ATOM 0 HD13 LEU A 30 1.228 23.541 17.541 1.00 25.15 H new ATOM 0 HD21 LEU A 30 -1.183 21.728 18.163 1.00 23.32 H new ATOM 0 HD22 LEU A 30 0.296 21.777 19.152 1.00 23.32 H new ATOM 0 HD23 LEU A 30 -1.289 22.066 19.907 1.00 23.32 H new ATOM 474 N ILE A 31 -2.559 26.186 21.713 1.00 1.01 N ATOM 475 CA ILE A 31 -3.649 25.929 22.646 1.00 0.31 C ATOM 476 C ILE A 31 -4.869 26.782 22.314 1.00 20.31 C ATOM 477 O ILE A 31 -4.765 27.854 21.718 1.00 5.14 O ATOM 478 CB ILE A 31 -3.223 26.207 24.100 1.00 61.12 C ATOM 479 CG1 ILE A 31 -2.601 27.600 24.215 1.00 52.32 C ATOM 480 CG2 ILE A 31 -2.245 25.144 24.577 1.00 31.34 C ATOM 481 CD1 ILE A 31 -3.309 28.498 25.205 1.00 13.02 C ATOM 0 H ILE A 31 -2.560 27.124 21.311 1.00 1.01 H new ATOM 0 HA ILE A 31 -3.907 24.875 22.547 1.00 0.31 H new ATOM 0 HB ILE A 31 -4.108 26.171 24.736 1.00 61.12 H new ATOM 0 HG12 ILE A 31 -1.557 27.499 24.510 1.00 52.32 H new ATOM 0 HG13 ILE A 31 -2.611 28.075 23.234 1.00 52.32 H new ATOM 0 HG21 ILE A 31 -1.953 25.354 25.606 1.00 31.34 H new ATOM 0 HG22 ILE A 31 -2.720 24.164 24.527 1.00 31.34 H new ATOM 0 HG23 ILE A 31 -1.360 25.151 23.940 1.00 31.34 H new ATOM 0 HD11 ILE A 31 -2.814 29.469 25.234 1.00 13.02 H new ATOM 0 HD12 ILE A 31 -4.347 28.629 24.900 1.00 13.02 H new ATOM 0 HD13 ILE A 31 -3.277 28.044 26.196 1.00 13.02 H new ATOM 493 N PRO A 32 -6.055 26.296 22.710 1.00 52.44 N ATOM 494 CA PRO A 32 -7.319 26.999 22.467 1.00 3.11 C ATOM 495 C PRO A 32 -7.447 28.266 23.305 1.00 13.33 C ATOM 496 O PRO A 32 -7.702 28.202 24.507 1.00 1.45 O ATOM 497 CB PRO A 32 -8.379 25.975 22.880 1.00 41.03 C ATOM 498 CG PRO A 32 -7.691 25.093 23.863 1.00 21.25 C ATOM 499 CD PRO A 32 -6.254 25.025 23.425 1.00 73.55 C ATOM 0 HA PRO A 32 -7.409 27.332 21.433 1.00 3.11 H new ATOM 0 HB2 PRO A 32 -9.247 26.461 23.325 1.00 41.03 H new ATOM 0 HB3 PRO A 32 -8.737 25.407 22.021 1.00 41.03 H new ATOM 0 HG2 PRO A 32 -7.772 25.496 24.872 1.00 21.25 H new ATOM 0 HG3 PRO A 32 -8.141 24.101 23.879 1.00 21.25 H new ATOM 0 HD2 PRO A 32 -5.579 24.932 24.276 1.00 73.55 H new ATOM 0 HD3 PRO A 32 -6.071 24.167 22.778 1.00 73.55 H new ATOM 507 N GLU A 33 -7.270 29.416 22.662 1.00 11.33 N ATOM 508 CA GLU A 33 -7.366 30.698 23.351 1.00 55.34 C ATOM 509 C GLU A 33 -8.549 31.509 22.827 1.00 4.23 C ATOM 510 O GLU A 33 -9.580 31.622 23.491 1.00 63.31 O ATOM 511 CB GLU A 33 -6.071 31.494 23.177 1.00 52.10 C ATOM 512 CG GLU A 33 -5.237 31.584 24.444 1.00 35.21 C ATOM 513 CD GLU A 33 -5.441 32.891 25.185 1.00 32.12 C ATOM 514 OE1 GLU A 33 -6.240 32.910 26.145 1.00 23.54 O ATOM 515 OE2 GLU A 33 -4.803 33.895 24.805 1.00 31.33 O ATOM 0 H GLU A 33 -7.060 29.486 21.666 1.00 11.33 H new ATOM 0 HA GLU A 33 -7.523 30.501 24.412 1.00 55.34 H new ATOM 0 HB2 GLU A 33 -5.474 31.032 22.391 1.00 52.10 H new ATOM 0 HB3 GLU A 33 -6.316 32.502 22.841 1.00 52.10 H new ATOM 0 HG2 GLU A 33 -5.492 30.754 25.102 1.00 35.21 H new ATOM 0 HG3 GLU A 33 -4.183 31.476 24.189 1.00 35.21 H new ATOM 522 N ILE A 34 -8.390 32.072 21.634 1.00 13.33 N ATOM 523 CA ILE A 34 -9.444 32.872 21.022 1.00 43.12 C ATOM 524 C ILE A 34 -9.031 33.357 19.636 1.00 24.03 C ATOM 525 O ILE A 34 -9.841 33.387 18.711 1.00 1.01 O ATOM 526 CB ILE A 34 -9.805 34.090 21.893 1.00 62.30 C ATOM 527 CG1 ILE A 34 -10.868 34.944 21.199 1.00 61.40 C ATOM 528 CG2 ILE A 34 -8.563 34.917 22.188 1.00 45.13 C ATOM 529 CD1 ILE A 34 -11.295 36.150 22.005 1.00 1.13 C ATOM 0 H ILE A 34 -7.543 31.989 21.072 1.00 13.33 H new ATOM 0 HA ILE A 34 -10.318 32.227 20.934 1.00 43.12 H new ATOM 0 HB ILE A 34 -10.213 33.733 22.839 1.00 62.30 H new ATOM 0 HG12 ILE A 34 -10.482 35.279 20.236 1.00 61.40 H new ATOM 0 HG13 ILE A 34 -11.742 34.326 20.994 1.00 61.40 H new ATOM 0 HG21 ILE A 34 -8.834 35.774 22.804 1.00 45.13 H new ATOM 0 HG22 ILE A 34 -7.835 34.304 22.720 1.00 45.13 H new ATOM 0 HG23 ILE A 34 -8.128 35.267 21.252 1.00 45.13 H new ATOM 0 HD11 ILE A 34 -12.050 36.709 21.452 1.00 1.13 H new ATOM 0 HD12 ILE A 34 -11.712 35.822 22.957 1.00 1.13 H new ATOM 0 HD13 ILE A 34 -10.432 36.790 22.188 1.00 1.13 H new ATOM 541 N ASN A 35 -7.763 33.734 19.501 1.00 54.31 N ATOM 542 CA ASN A 35 -7.242 34.217 18.227 1.00 24.24 C ATOM 543 C ASN A 35 -6.211 33.246 17.659 1.00 71.01 C ATOM 544 O ASN A 35 -6.064 33.122 16.442 1.00 23.02 O ATOM 545 CB ASN A 35 -6.613 35.601 18.402 1.00 71.14 C ATOM 546 CG ASN A 35 -7.652 36.704 18.468 1.00 71.45 C ATOM 547 OD1 ASN A 35 -8.019 37.162 19.550 1.00 50.04 O ATOM 548 ND2 ASN A 35 -8.132 37.134 17.307 1.00 43.54 N ATOM 0 H ASN A 35 -7.079 33.714 20.257 1.00 54.31 H new ATOM 0 HA ASN A 35 -8.073 34.289 17.526 1.00 24.24 H new ATOM 0 HB2 ASN A 35 -6.016 35.613 19.314 1.00 71.14 H new ATOM 0 HB3 ASN A 35 -5.933 35.795 17.573 1.00 71.14 H new ATOM 0 HD21 ASN A 35 -8.834 37.873 17.288 1.00 43.54 H new ATOM 0 HD22 ASN A 35 -7.798 36.725 16.434 1.00 43.54 H new ATOM 555 N LEU A 36 -5.501 32.559 18.547 1.00 42.13 N ATOM 556 CA LEU A 36 -4.484 31.598 18.134 1.00 21.12 C ATOM 557 C LEU A 36 -5.050 30.606 17.123 1.00 13.03 C ATOM 558 O LEU A 36 -4.369 30.210 16.179 1.00 24.20 O ATOM 559 CB LEU A 36 -3.939 30.848 19.351 1.00 12.12 C ATOM 560 CG LEU A 36 -2.958 29.713 19.056 1.00 33.34 C ATOM 561 CD1 LEU A 36 -1.922 29.601 20.164 1.00 14.12 C ATOM 562 CD2 LEU A 36 -3.702 28.396 18.885 1.00 52.42 C ATOM 0 H LEU A 36 -5.611 32.649 19.557 1.00 42.13 H new ATOM 0 HA LEU A 36 -3.671 32.148 17.659 1.00 21.12 H new ATOM 0 HB2 LEU A 36 -3.446 31.567 20.005 1.00 12.12 H new ATOM 0 HB3 LEU A 36 -4.782 30.438 19.907 1.00 12.12 H new ATOM 0 HG LEU A 36 -2.440 29.939 18.124 1.00 33.34 H new ATOM 0 HD11 LEU A 36 -1.233 28.788 19.937 1.00 14.12 H new ATOM 0 HD12 LEU A 36 -1.368 30.536 20.240 1.00 14.12 H new ATOM 0 HD13 LEU A 36 -2.422 29.398 21.111 1.00 14.12 H new ATOM 0 HD21 LEU A 36 -2.988 27.599 18.676 1.00 52.42 H new ATOM 0 HD22 LEU A 36 -4.246 28.164 19.800 1.00 52.42 H new ATOM 0 HD23 LEU A 36 -4.405 28.480 18.056 1.00 52.42 H new ATOM 574 N ASN A 37 -6.303 30.211 17.328 1.00 63.24 N ATOM 575 CA ASN A 37 -6.962 29.266 16.433 1.00 42.42 C ATOM 576 C ASN A 37 -6.966 29.788 14.999 1.00 14.01 C ATOM 577 O ASN A 37 -6.584 29.079 14.068 1.00 23.24 O ATOM 578 CB ASN A 37 -8.396 29.007 16.898 1.00 53.32 C ATOM 579 CG ASN A 37 -8.460 28.038 18.062 1.00 74.40 C ATOM 580 OD1 ASN A 37 -7.479 27.365 18.379 1.00 11.41 O ATOM 581 ND2 ASN A 37 -9.620 27.961 18.705 1.00 41.12 N ATOM 0 H ASN A 37 -6.882 30.530 18.105 1.00 63.24 H new ATOM 0 HA ASN A 37 -6.405 28.330 16.458 1.00 42.42 H new ATOM 0 HB2 ASN A 37 -8.857 29.951 17.189 1.00 53.32 H new ATOM 0 HB3 ASN A 37 -8.979 28.611 16.066 1.00 53.32 H new ATOM 0 HD21 ASN A 37 -9.724 27.325 19.496 1.00 41.12 H new ATOM 0 HD22 ASN A 37 -10.407 28.538 18.408 1.00 41.12 H new ATOM 588 N ASP A 38 -7.401 31.032 14.829 1.00 34.34 N ATOM 589 CA ASP A 38 -7.454 31.650 13.510 1.00 75.34 C ATOM 590 C ASP A 38 -6.068 31.694 12.874 1.00 13.02 C ATOM 591 O ASP A 38 -5.879 31.256 11.739 1.00 51.43 O ATOM 592 CB ASP A 38 -8.030 33.064 13.608 1.00 65.42 C ATOM 593 CG ASP A 38 -9.503 33.115 13.253 1.00 4.41 C ATOM 594 OD1 ASP A 38 -10.302 32.444 13.939 1.00 73.05 O ATOM 595 OD2 ASP A 38 -9.856 33.828 12.291 1.00 41.04 O ATOM 0 H ASP A 38 -7.722 31.632 15.589 1.00 34.34 H new ATOM 0 HA ASP A 38 -8.104 31.045 12.878 1.00 75.34 H new ATOM 0 HB2 ASP A 38 -7.890 33.441 14.621 1.00 65.42 H new ATOM 0 HB3 ASP A 38 -7.476 33.726 12.943 1.00 65.42 H new ATOM 600 N THR A 39 -5.100 32.227 13.614 1.00 74.22 N ATOM 601 CA THR A 39 -3.732 32.331 13.123 1.00 73.35 C ATOM 602 C THR A 39 -3.184 30.964 12.730 1.00 23.41 C ATOM 603 O THR A 39 -2.719 30.769 11.607 1.00 43.22 O ATOM 604 CB THR A 39 -2.803 32.961 14.177 1.00 30.31 C ATOM 605 OG1 THR A 39 -3.544 33.264 15.364 1.00 0.42 O ATOM 606 CG2 THR A 39 -2.155 34.228 13.640 1.00 71.25 C ATOM 0 H THR A 39 -5.239 32.593 14.556 1.00 74.22 H new ATOM 0 HA THR A 39 -3.760 32.975 12.244 1.00 73.35 H new ATOM 0 HB THR A 39 -2.018 32.243 14.413 1.00 30.31 H new ATOM 0 HG1 THR A 39 -4.119 34.041 15.201 1.00 0.42 H new ATOM 0 HG21 THR A 39 -1.503 34.655 14.403 1.00 71.25 H new ATOM 0 HG22 THR A 39 -1.568 33.989 12.753 1.00 71.25 H new ATOM 0 HG23 THR A 39 -2.929 34.950 13.379 1.00 71.25 H new ATOM 614 N PHE A 40 -3.241 30.018 13.662 1.00 13.33 N ATOM 615 CA PHE A 40 -2.750 28.668 13.413 1.00 4.25 C ATOM 616 C PHE A 40 -3.487 28.028 12.241 1.00 42.55 C ATOM 617 O PHE A 40 -2.886 27.335 11.420 1.00 41.03 O ATOM 618 CB PHE A 40 -2.913 27.804 14.666 1.00 51.14 C ATOM 619 CG PHE A 40 -2.192 26.489 14.585 1.00 73.13 C ATOM 620 CD1 PHE A 40 -0.889 26.425 14.118 1.00 54.54 C ATOM 621 CD2 PHE A 40 -2.818 25.316 14.975 1.00 21.12 C ATOM 622 CE1 PHE A 40 -0.223 25.217 14.042 1.00 30.21 C ATOM 623 CE2 PHE A 40 -2.156 24.105 14.902 1.00 35.54 C ATOM 624 CZ PHE A 40 -0.858 24.055 14.434 1.00 20.32 C ATOM 0 H PHE A 40 -3.623 30.162 14.597 1.00 13.33 H new ATOM 0 HA PHE A 40 -1.692 28.734 13.161 1.00 4.25 H new ATOM 0 HB2 PHE A 40 -2.546 28.358 15.530 1.00 51.14 H new ATOM 0 HB3 PHE A 40 -3.974 27.618 14.834 1.00 51.14 H new ATOM 0 HD1 PHE A 40 -0.388 27.331 13.810 1.00 54.54 H new ATOM 0 HD2 PHE A 40 -3.834 25.348 15.340 1.00 21.12 H new ATOM 0 HE1 PHE A 40 0.793 25.181 13.677 1.00 30.21 H new ATOM 0 HE2 PHE A 40 -2.654 23.198 15.211 1.00 35.54 H new ATOM 0 HZ PHE A 40 -0.340 23.109 14.375 1.00 20.32 H new ATOM 634 N ASP A 41 -4.792 28.266 12.169 1.00 2.34 N ATOM 635 CA ASP A 41 -5.612 27.714 11.097 1.00 12.44 C ATOM 636 C ASP A 41 -5.087 28.148 9.733 1.00 43.34 C ATOM 637 O ASP A 41 -4.721 27.316 8.902 1.00 22.42 O ATOM 638 CB ASP A 41 -7.067 28.156 11.261 1.00 34.33 C ATOM 639 CG ASP A 41 -7.910 27.118 11.976 1.00 32.21 C ATOM 640 OD1 ASP A 41 -7.679 26.894 13.183 1.00 12.52 O ATOM 641 OD2 ASP A 41 -8.801 26.530 11.329 1.00 72.41 O ATOM 0 H ASP A 41 -5.305 28.838 12.840 1.00 2.34 H new ATOM 0 HA ASP A 41 -5.561 26.627 11.157 1.00 12.44 H new ATOM 0 HB2 ASP A 41 -7.099 29.092 11.818 1.00 34.33 H new ATOM 0 HB3 ASP A 41 -7.496 28.355 10.279 1.00 34.33 H new ATOM 646 N THR A 42 -5.053 29.458 9.506 1.00 23.11 N ATOM 647 CA THR A 42 -4.574 30.003 8.242 1.00 75.43 C ATOM 648 C THR A 42 -3.145 29.556 7.956 1.00 74.31 C ATOM 649 O THR A 42 -2.723 29.493 6.801 1.00 10.41 O ATOM 650 CB THR A 42 -4.630 31.542 8.237 1.00 44.04 C ATOM 651 OG1 THR A 42 -4.969 32.016 6.929 1.00 61.35 O ATOM 652 CG2 THR A 42 -3.295 32.133 8.665 1.00 61.20 C ATOM 0 H THR A 42 -5.352 30.161 10.182 1.00 23.11 H new ATOM 0 HA THR A 42 -5.233 29.620 7.463 1.00 75.43 H new ATOM 0 HB THR A 42 -5.394 31.858 8.947 1.00 44.04 H new ATOM 0 HG1 THR A 42 -5.004 32.995 6.935 1.00 61.35 H new ATOM 0 HG21 THR A 42 -3.358 33.221 8.654 1.00 61.20 H new ATOM 0 HG22 THR A 42 -3.053 31.794 9.672 1.00 61.20 H new ATOM 0 HG23 THR A 42 -2.516 31.808 7.976 1.00 61.20 H new ATOM 660 N PHE A 43 -2.405 29.245 9.014 1.00 23.25 N ATOM 661 CA PHE A 43 -1.022 28.803 8.877 1.00 43.42 C ATOM 662 C PHE A 43 -0.958 27.362 8.381 1.00 64.22 C ATOM 663 O PHE A 43 -0.266 27.059 7.409 1.00 72.20 O ATOM 664 CB PHE A 43 -0.289 28.927 10.214 1.00 1.43 C ATOM 665 CG PHE A 43 1.203 28.807 10.094 1.00 64.13 C ATOM 666 CD1 PHE A 43 1.935 28.114 11.045 1.00 72.34 C ATOM 667 CD2 PHE A 43 1.875 29.387 9.030 1.00 53.43 C ATOM 668 CE1 PHE A 43 3.308 28.001 10.936 1.00 21.54 C ATOM 669 CE2 PHE A 43 3.248 29.277 8.916 1.00 13.31 C ATOM 670 CZ PHE A 43 3.965 28.584 9.871 1.00 4.12 C ATOM 0 H PHE A 43 -2.740 29.291 9.976 1.00 23.25 H new ATOM 0 HA PHE A 43 -0.534 29.444 8.143 1.00 43.42 H new ATOM 0 HB2 PHE A 43 -0.533 29.889 10.665 1.00 1.43 H new ATOM 0 HB3 PHE A 43 -0.654 28.156 10.892 1.00 1.43 H new ATOM 0 HD1 PHE A 43 1.427 27.657 11.881 1.00 72.34 H new ATOM 0 HD2 PHE A 43 1.319 29.931 8.281 1.00 53.43 H new ATOM 0 HE1 PHE A 43 3.867 27.457 11.683 1.00 21.54 H new ATOM 0 HE2 PHE A 43 3.759 29.733 8.081 1.00 13.31 H new ATOM 0 HZ PHE A 43 5.038 28.498 9.785 1.00 4.12 H new ATOM 680 N ALA A 44 -1.684 26.477 9.056 1.00 4.14 N ATOM 681 CA ALA A 44 -1.711 25.068 8.684 1.00 10.05 C ATOM 682 C ALA A 44 -2.419 24.866 7.349 1.00 10.50 C ATOM 683 O ALA A 44 -1.922 24.160 6.471 1.00 24.23 O ATOM 684 CB ALA A 44 -2.389 24.248 9.772 1.00 3.14 C ATOM 0 H ALA A 44 -2.261 26.711 9.864 1.00 4.14 H new ATOM 0 HA ALA A 44 -0.682 24.727 8.575 1.00 10.05 H new ATOM 0 HB1 ALA A 44 -2.402 23.198 9.481 1.00 3.14 H new ATOM 0 HB2 ALA A 44 -1.839 24.359 10.707 1.00 3.14 H new ATOM 0 HB3 ALA A 44 -3.412 24.600 9.909 1.00 3.14 H new ATOM 690 N LEU A 45 -3.582 25.491 7.201 1.00 34.45 N ATOM 691 CA LEU A 45 -4.360 25.379 5.972 1.00 1.22 C ATOM 692 C LEU A 45 -3.474 25.582 4.747 1.00 21.02 C ATOM 693 O LEU A 45 -3.342 24.690 3.909 1.00 32.44 O ATOM 694 CB LEU A 45 -5.496 26.404 5.969 1.00 21.43 C ATOM 695 CG LEU A 45 -6.753 26.009 5.193 1.00 12.44 C ATOM 696 CD1 LEU A 45 -6.388 25.506 3.806 1.00 70.42 C ATOM 697 CD2 LEU A 45 -7.541 24.954 5.956 1.00 55.34 C ATOM 0 H LEU A 45 -4.007 26.081 7.917 1.00 34.45 H new ATOM 0 HA LEU A 45 -4.784 24.376 5.929 1.00 1.22 H new ATOM 0 HB2 LEU A 45 -5.779 26.606 7.002 1.00 21.43 H new ATOM 0 HB3 LEU A 45 -5.115 27.337 5.554 1.00 21.43 H new ATOM 0 HG LEU A 45 -7.381 26.893 5.082 1.00 12.44 H new ATOM 0 HD11 LEU A 45 -7.295 25.230 3.269 1.00 70.42 H new ATOM 0 HD12 LEU A 45 -5.868 26.292 3.259 1.00 70.42 H new ATOM 0 HD13 LEU A 45 -5.739 24.635 3.894 1.00 70.42 H new ATOM 0 HD21 LEU A 45 -8.432 24.685 5.389 1.00 55.34 H new ATOM 0 HD22 LEU A 45 -6.921 24.069 6.099 1.00 55.34 H new ATOM 0 HD23 LEU A 45 -7.835 25.351 6.927 1.00 55.34 H new ATOM 709 N ASP A 46 -2.867 26.760 4.651 1.00 72.20 N ATOM 710 CA ASP A 46 -1.991 27.079 3.530 1.00 5.02 C ATOM 711 C ASP A 46 -0.988 25.955 3.287 1.00 75.21 C ATOM 712 O ASP A 46 -0.827 25.486 2.160 1.00 43.52 O ATOM 713 CB ASP A 46 -1.250 28.391 3.792 1.00 1.40 C ATOM 714 CG ASP A 46 -1.176 29.270 2.559 1.00 45.11 C ATOM 715 OD1 ASP A 46 -0.058 29.465 2.036 1.00 54.45 O ATOM 716 OD2 ASP A 46 -2.235 29.762 2.117 1.00 64.03 O ATOM 0 H ASP A 46 -2.966 27.509 5.336 1.00 72.20 H new ATOM 0 HA ASP A 46 -2.608 27.190 2.639 1.00 5.02 H new ATOM 0 HB2 ASP A 46 -1.752 28.935 4.593 1.00 1.40 H new ATOM 0 HB3 ASP A 46 -0.240 28.172 4.139 1.00 1.40 H new ATOM 721 N PHE A 47 -0.317 25.527 4.351 1.00 71.11 N ATOM 722 CA PHE A 47 0.671 24.459 4.253 1.00 60.03 C ATOM 723 C PHE A 47 0.049 23.194 3.668 1.00 12.24 C ATOM 724 O PHE A 47 0.604 22.580 2.757 1.00 13.40 O ATOM 725 CB PHE A 47 1.267 24.159 5.630 1.00 71.54 C ATOM 726 CG PHE A 47 2.636 24.743 5.831 1.00 72.12 C ATOM 727 CD1 PHE A 47 3.646 24.508 4.912 1.00 52.01 C ATOM 728 CD2 PHE A 47 2.913 25.527 6.939 1.00 32.23 C ATOM 729 CE1 PHE A 47 4.907 25.045 5.094 1.00 74.41 C ATOM 730 CE2 PHE A 47 4.171 26.066 7.126 1.00 3.43 C ATOM 731 CZ PHE A 47 5.170 25.824 6.203 1.00 32.02 C ATOM 0 H PHE A 47 -0.439 25.903 5.291 1.00 71.11 H new ATOM 0 HA PHE A 47 1.466 24.793 3.586 1.00 60.03 H new ATOM 0 HB2 PHE A 47 0.599 24.547 6.399 1.00 71.54 H new ATOM 0 HB3 PHE A 47 1.318 23.079 5.768 1.00 71.54 H new ATOM 0 HD1 PHE A 47 3.446 23.898 4.043 1.00 52.01 H new ATOM 0 HD2 PHE A 47 2.137 25.719 7.665 1.00 32.23 H new ATOM 0 HE1 PHE A 47 5.685 24.855 4.370 1.00 74.41 H new ATOM 0 HE2 PHE A 47 4.374 26.676 7.994 1.00 3.43 H new ATOM 0 HZ PHE A 47 6.155 26.243 6.349 1.00 32.02 H new ATOM 741 N SER A 48 -1.107 22.810 4.201 1.00 52.34 N ATOM 742 CA SER A 48 -1.804 21.616 3.736 1.00 43.52 C ATOM 743 C SER A 48 -1.982 21.647 2.221 1.00 63.41 C ATOM 744 O SER A 48 -1.765 20.644 1.539 1.00 2.54 O ATOM 745 CB SER A 48 -3.168 21.498 4.419 1.00 65.43 C ATOM 746 OG SER A 48 -3.745 20.225 4.186 1.00 31.31 O ATOM 0 H SER A 48 -1.580 23.308 4.955 1.00 52.34 H new ATOM 0 HA SER A 48 -1.199 20.747 3.996 1.00 43.52 H new ATOM 0 HB2 SER A 48 -3.057 21.660 5.491 1.00 65.43 H new ATOM 0 HB3 SER A 48 -3.834 22.277 4.046 1.00 65.43 H new ATOM 0 HG SER A 48 -4.615 20.173 4.634 1.00 31.31 H new ATOM 752 N ARG A 49 -2.378 22.804 1.701 1.00 72.41 N ATOM 753 CA ARG A 49 -2.587 22.965 0.267 1.00 10.31 C ATOM 754 C ARG A 49 -1.373 22.478 -0.518 1.00 25.35 C ATOM 755 O ARG A 49 -1.511 21.799 -1.535 1.00 1.33 O ATOM 756 CB ARG A 49 -2.868 24.431 -0.067 1.00 12.53 C ATOM 757 CG ARG A 49 -3.700 24.621 -1.325 1.00 32.15 C ATOM 758 CD ARG A 49 -3.580 26.038 -1.864 1.00 63.51 C ATOM 759 NE ARG A 49 -4.633 26.348 -2.827 1.00 64.24 N ATOM 760 CZ ARG A 49 -4.778 27.538 -3.399 1.00 60.13 C ATOM 761 NH1 ARG A 49 -3.942 28.524 -3.106 1.00 41.45 N ATOM 762 NH2 ARG A 49 -5.761 27.743 -4.266 1.00 71.05 N ATOM 0 H ARG A 49 -2.561 23.643 2.251 1.00 72.41 H new ATOM 0 HA ARG A 49 -3.449 22.362 -0.019 1.00 10.31 H new ATOM 0 HB2 ARG A 49 -3.385 24.894 0.774 1.00 12.53 H new ATOM 0 HB3 ARG A 49 -1.920 24.956 -0.186 1.00 12.53 H new ATOM 0 HG2 ARG A 49 -3.376 23.912 -2.087 1.00 32.15 H new ATOM 0 HG3 ARG A 49 -4.745 24.400 -1.108 1.00 32.15 H new ATOM 0 HD2 ARG A 49 -3.626 26.746 -1.036 1.00 63.51 H new ATOM 0 HD3 ARG A 49 -2.607 26.164 -2.338 1.00 63.51 H new ATOM 0 HE ARG A 49 -5.293 25.611 -3.074 1.00 64.24 H new ATOM 0 HH11 ARG A 49 -3.185 28.370 -2.440 1.00 41.45 H new ATOM 0 HH12 ARG A 49 -4.056 29.437 -3.547 1.00 41.45 H new ATOM 0 HH21 ARG A 49 -6.406 26.986 -4.494 1.00 71.05 H new ATOM 0 HH22 ARG A 49 -5.872 28.657 -4.705 1.00 71.05 H new ATOM 776 N GLU A 50 -0.184 22.829 -0.037 1.00 42.21 N ATOM 777 CA GLU A 50 1.054 22.428 -0.695 1.00 2.10 C ATOM 778 C GLU A 50 1.310 20.935 -0.510 1.00 55.02 C ATOM 779 O GLU A 50 2.025 20.314 -1.296 1.00 71.43 O ATOM 780 CB GLU A 50 2.234 23.231 -0.143 1.00 62.30 C ATOM 781 CG GLU A 50 3.312 23.516 -1.175 1.00 50.33 C ATOM 782 CD GLU A 50 4.656 23.826 -0.545 1.00 51.11 C ATOM 783 OE1 GLU A 50 5.031 23.131 0.422 1.00 64.51 O ATOM 784 OE2 GLU A 50 5.332 24.763 -1.018 1.00 53.51 O ATOM 0 H GLU A 50 -0.052 23.390 0.805 1.00 42.21 H new ATOM 0 HA GLU A 50 0.951 22.632 -1.761 1.00 2.10 H new ATOM 0 HB2 GLU A 50 1.865 24.176 0.255 1.00 62.30 H new ATOM 0 HB3 GLU A 50 2.676 22.685 0.690 1.00 62.30 H new ATOM 0 HG2 GLU A 50 3.414 22.655 -1.835 1.00 50.33 H new ATOM 0 HG3 GLU A 50 3.003 24.358 -1.795 1.00 50.33 H new ATOM 791 N LYS A 51 0.720 20.365 0.535 1.00 11.02 N ATOM 792 CA LYS A 51 0.881 18.945 0.825 1.00 4.22 C ATOM 793 C LYS A 51 0.001 18.100 -0.090 1.00 22.54 C ATOM 794 O LYS A 51 0.472 17.152 -0.719 1.00 51.03 O ATOM 795 CB LYS A 51 0.536 18.660 2.289 1.00 45.04 C ATOM 796 CG LYS A 51 0.069 17.237 2.537 1.00 34.50 C ATOM 797 CD LYS A 51 -1.208 17.205 3.361 1.00 61.13 C ATOM 798 CE LYS A 51 -2.423 16.912 2.494 1.00 32.03 C ATOM 799 NZ LYS A 51 -2.295 15.612 1.780 1.00 63.21 N ATOM 0 H LYS A 51 0.125 20.865 1.196 1.00 11.02 H new ATOM 0 HA LYS A 51 1.923 18.679 0.645 1.00 4.22 H new ATOM 0 HB2 LYS A 51 1.413 18.859 2.906 1.00 45.04 H new ATOM 0 HB3 LYS A 51 -0.243 19.351 2.611 1.00 45.04 H new ATOM 0 HG2 LYS A 51 -0.100 16.737 1.583 1.00 34.50 H new ATOM 0 HG3 LYS A 51 0.851 16.681 3.054 1.00 34.50 H new ATOM 0 HD2 LYS A 51 -1.122 16.445 4.138 1.00 61.13 H new ATOM 0 HD3 LYS A 51 -1.341 18.162 3.865 1.00 61.13 H new ATOM 0 HE2 LYS A 51 -3.318 16.898 3.116 1.00 32.03 H new ATOM 0 HE3 LYS A 51 -2.552 17.714 1.767 1.00 32.03 H new ATOM 0 HZ1 LYS A 51 -3.232 15.301 1.454 1.00 63.21 H new ATOM 0 HZ2 LYS A 51 -1.664 15.726 0.961 1.00 63.21 H new ATOM 0 HZ3 LYS A 51 -1.899 14.899 2.425 1.00 63.21 H new ATOM 813 N LYS A 52 -1.279 18.449 -0.160 1.00 21.33 N ATOM 814 CA LYS A 52 -2.225 17.724 -1.000 1.00 12.14 C ATOM 815 C LYS A 52 -1.935 17.964 -2.478 1.00 21.52 C ATOM 816 O LYS A 52 -2.181 17.097 -3.318 1.00 32.23 O ATOM 817 CB LYS A 52 -3.658 18.152 -0.675 1.00 33.43 C ATOM 818 CG LYS A 52 -3.873 19.654 -0.734 1.00 51.11 C ATOM 819 CD LYS A 52 -4.694 20.147 0.446 1.00 51.03 C ATOM 820 CE LYS A 52 -5.738 21.165 0.012 1.00 63.01 C ATOM 821 NZ LYS A 52 -6.252 21.957 1.163 1.00 32.14 N ATOM 0 H LYS A 52 -1.685 19.230 0.355 1.00 21.33 H new ATOM 0 HA LYS A 52 -2.114 16.659 -0.794 1.00 12.14 H new ATOM 0 HB2 LYS A 52 -4.340 17.668 -1.374 1.00 33.43 H new ATOM 0 HB3 LYS A 52 -3.917 17.795 0.322 1.00 33.43 H new ATOM 0 HG2 LYS A 52 -2.908 20.160 -0.744 1.00 51.11 H new ATOM 0 HG3 LYS A 52 -4.379 19.914 -1.664 1.00 51.11 H new ATOM 0 HD2 LYS A 52 -5.186 19.302 0.927 1.00 51.03 H new ATOM 0 HD3 LYS A 52 -4.034 20.595 1.188 1.00 51.03 H new ATOM 0 HE2 LYS A 52 -5.304 21.838 -0.727 1.00 63.01 H new ATOM 0 HE3 LYS A 52 -6.567 20.650 -0.474 1.00 63.01 H new ATOM 0 HZ1 LYS A 52 -6.961 22.639 0.826 1.00 32.14 H new ATOM 0 HZ2 LYS A 52 -6.689 21.317 1.857 1.00 32.14 H new ATOM 0 HZ3 LYS A 52 -5.465 22.468 1.611 1.00 32.14 H new ATOM 835 N LEU A 53 -1.409 19.143 -2.789 1.00 50.02 N ATOM 836 CA LEU A 53 -1.083 19.496 -4.167 1.00 33.13 C ATOM 837 C LEU A 53 0.208 18.817 -4.612 1.00 1.12 C ATOM 838 O LEU A 53 0.440 18.622 -5.806 1.00 1.12 O ATOM 839 CB LEU A 53 -0.950 21.013 -4.307 1.00 51.24 C ATOM 840 CG LEU A 53 -0.621 21.531 -5.708 1.00 51.10 C ATOM 841 CD1 LEU A 53 -1.543 22.681 -6.082 1.00 42.40 C ATOM 842 CD2 LEU A 53 0.835 21.965 -5.788 1.00 24.42 C ATOM 0 H LEU A 53 -1.199 19.871 -2.106 1.00 50.02 H new ATOM 0 HA LEU A 53 -1.894 19.148 -4.807 1.00 33.13 H new ATOM 0 HB2 LEU A 53 -1.884 21.471 -3.982 1.00 51.24 H new ATOM 0 HB3 LEU A 53 -0.173 21.354 -3.623 1.00 51.24 H new ATOM 0 HG LEU A 53 -0.777 20.721 -6.420 1.00 51.10 H new ATOM 0 HD11 LEU A 53 -1.294 23.037 -7.082 1.00 42.40 H new ATOM 0 HD12 LEU A 53 -2.577 22.338 -6.066 1.00 42.40 H new ATOM 0 HD13 LEU A 53 -1.419 23.494 -5.367 1.00 42.40 H new ATOM 0 HD21 LEU A 53 1.051 22.331 -6.792 1.00 24.42 H new ATOM 0 HD22 LEU A 53 1.018 22.760 -5.065 1.00 24.42 H new ATOM 0 HD23 LEU A 53 1.481 21.116 -5.564 1.00 24.42 H new ATOM 854 N LEU A 54 1.045 18.457 -3.645 1.00 12.32 N ATOM 855 CA LEU A 54 2.313 17.797 -3.936 1.00 52.44 C ATOM 856 C LEU A 54 2.114 16.298 -4.133 1.00 32.13 C ATOM 857 O LEU A 54 2.931 15.632 -4.767 1.00 42.01 O ATOM 858 CB LEU A 54 3.312 18.047 -2.806 1.00 2.24 C ATOM 859 CG LEU A 54 4.713 17.469 -3.008 1.00 61.10 C ATOM 860 CD1 LEU A 54 4.744 15.998 -2.622 1.00 45.22 C ATOM 861 CD2 LEU A 54 5.163 17.654 -4.450 1.00 21.41 C ATOM 0 H LEU A 54 0.868 18.611 -2.652 1.00 12.32 H new ATOM 0 HA LEU A 54 2.709 18.216 -4.861 1.00 52.44 H new ATOM 0 HB2 LEU A 54 3.403 19.123 -2.660 1.00 2.24 H new ATOM 0 HB3 LEU A 54 2.900 17.634 -1.886 1.00 2.24 H new ATOM 0 HG LEU A 54 5.405 18.008 -2.361 1.00 61.10 H new ATOM 0 HD11 LEU A 54 5.749 15.603 -2.772 1.00 45.22 H new ATOM 0 HD12 LEU A 54 4.465 15.891 -1.574 1.00 45.22 H new ATOM 0 HD13 LEU A 54 4.040 15.444 -3.243 1.00 45.22 H new ATOM 0 HD21 LEU A 54 6.162 17.237 -4.576 1.00 21.41 H new ATOM 0 HD22 LEU A 54 4.469 17.141 -5.116 1.00 21.41 H new ATOM 0 HD23 LEU A 54 5.180 18.717 -4.692 1.00 21.41 H new ATOM 873 N GLU A 55 1.021 15.774 -3.585 1.00 42.44 N ATOM 874 CA GLU A 55 0.715 14.354 -3.702 1.00 71.42 C ATOM 875 C GLU A 55 -0.424 14.122 -4.691 1.00 61.02 C ATOM 876 O GLU A 55 -0.234 13.502 -5.738 1.00 52.14 O ATOM 877 CB GLU A 55 0.343 13.775 -2.335 1.00 44.31 C ATOM 878 CG GLU A 55 0.756 12.324 -2.156 1.00 1.04 C ATOM 879 CD GLU A 55 -0.107 11.593 -1.146 1.00 20.41 C ATOM 880 OE1 GLU A 55 0.011 11.891 0.061 1.00 13.40 O ATOM 881 OE2 GLU A 55 -0.899 10.722 -1.562 1.00 74.00 O ATOM 0 H GLU A 55 0.334 16.312 -3.056 1.00 42.44 H new ATOM 0 HA GLU A 55 1.605 13.847 -4.074 1.00 71.42 H new ATOM 0 HB2 GLU A 55 0.811 14.376 -1.556 1.00 44.31 H new ATOM 0 HB3 GLU A 55 -0.735 13.857 -2.196 1.00 44.31 H new ATOM 0 HG2 GLU A 55 0.697 11.812 -3.117 1.00 1.04 H new ATOM 0 HG3 GLU A 55 1.797 12.283 -1.836 1.00 1.04 H new ATOM 888 N CYS A 56 -1.606 14.623 -4.351 1.00 1.40 N ATOM 889 CA CYS A 56 -2.777 14.471 -5.208 1.00 25.54 C ATOM 890 C CYS A 56 -2.917 15.658 -6.154 1.00 4.41 C ATOM 891 O CYS A 56 -2.314 16.711 -5.940 1.00 0.13 O ATOM 892 CB CYS A 56 -4.040 14.328 -4.359 1.00 35.54 C ATOM 893 SG CYS A 56 -5.293 13.240 -5.077 1.00 74.03 S ATOM 0 H CYS A 56 -1.779 15.138 -3.488 1.00 1.40 H new ATOM 0 HA CYS A 56 -2.645 13.569 -5.805 1.00 25.54 H new ATOM 0 HB2 CYS A 56 -3.763 13.946 -3.376 1.00 35.54 H new ATOM 0 HB3 CYS A 56 -4.476 15.315 -4.206 1.00 35.54 H new ATOM 0 HG CYS A 56 -6.322 13.181 -4.285 1.00 74.03 H new ATOM 899 N LEU A 57 -3.714 15.482 -7.202 1.00 1.42 N ATOM 900 CA LEU A 57 -3.932 16.539 -8.183 1.00 54.51 C ATOM 901 C LEU A 57 -5.251 17.260 -7.923 1.00 14.02 C ATOM 902 O LEU A 57 -6.304 16.630 -7.815 1.00 24.02 O ATOM 903 CB LEU A 57 -3.926 15.958 -9.598 1.00 53.20 C ATOM 904 CG LEU A 57 -2.562 15.872 -10.282 1.00 65.22 C ATOM 905 CD1 LEU A 57 -2.655 15.049 -11.558 1.00 10.02 C ATOM 906 CD2 LEU A 57 -2.026 17.264 -10.582 1.00 10.43 C ATOM 0 H LEU A 57 -4.220 14.617 -7.394 1.00 1.42 H new ATOM 0 HA LEU A 57 -3.120 17.260 -8.089 1.00 54.51 H new ATOM 0 HB2 LEU A 57 -4.355 14.957 -9.560 1.00 53.20 H new ATOM 0 HB3 LEU A 57 -4.585 16.563 -10.221 1.00 53.20 H new ATOM 0 HG LEU A 57 -1.868 15.376 -9.603 1.00 65.22 H new ATOM 0 HD11 LEU A 57 -1.674 14.999 -12.031 1.00 10.02 H new ATOM 0 HD12 LEU A 57 -2.994 14.041 -11.317 1.00 10.02 H new ATOM 0 HD13 LEU A 57 -3.364 15.516 -12.241 1.00 10.02 H new ATOM 0 HD21 LEU A 57 -1.054 17.183 -11.069 1.00 10.43 H new ATOM 0 HD22 LEU A 57 -2.719 17.787 -11.241 1.00 10.43 H new ATOM 0 HD23 LEU A 57 -1.920 17.821 -9.651 1.00 10.43 H new ATOM 918 N ASP A 58 -5.187 18.583 -7.825 1.00 54.33 N ATOM 919 CA ASP A 58 -6.377 19.390 -7.581 1.00 51.42 C ATOM 920 C ASP A 58 -6.068 20.876 -7.742 1.00 35.31 C ATOM 921 O ASP A 58 -5.135 21.396 -7.130 1.00 33.02 O ATOM 922 CB ASP A 58 -6.925 19.119 -6.179 1.00 45.30 C ATOM 923 CG ASP A 58 -8.282 19.755 -5.955 1.00 12.54 C ATOM 924 OD1 ASP A 58 -8.455 20.438 -4.923 1.00 22.13 O ATOM 925 OD2 ASP A 58 -9.172 19.572 -6.811 1.00 61.31 O ATOM 0 H ASP A 58 -4.324 19.120 -7.911 1.00 54.33 H new ATOM 0 HA ASP A 58 -7.132 19.112 -8.317 1.00 51.42 H new ATOM 0 HB2 ASP A 58 -7.001 18.043 -6.024 1.00 45.30 H new ATOM 0 HB3 ASP A 58 -6.222 19.499 -5.438 1.00 45.30 H new ATOM 930 N TYR A 59 -6.857 21.552 -8.569 1.00 52.32 N ATOM 931 CA TYR A 59 -6.666 22.977 -8.813 1.00 51.13 C ATOM 932 C TYR A 59 -5.234 23.267 -9.253 1.00 12.33 C ATOM 933 O TYR A 59 -4.390 23.655 -8.444 1.00 13.42 O ATOM 934 CB TYR A 59 -6.998 23.781 -7.555 1.00 21.53 C ATOM 935 CG TYR A 59 -7.444 25.197 -7.840 1.00 73.44 C ATOM 936 CD1 TYR A 59 -8.637 25.448 -8.507 1.00 13.40 C ATOM 937 CD2 TYR A 59 -6.673 26.282 -7.445 1.00 12.41 C ATOM 938 CE1 TYR A 59 -9.049 26.740 -8.771 1.00 10.51 C ATOM 939 CE2 TYR A 59 -7.078 27.578 -7.703 1.00 62.33 C ATOM 940 CZ TYR A 59 -8.266 27.802 -8.367 1.00 32.44 C ATOM 941 OH TYR A 59 -8.672 29.090 -8.627 1.00 40.51 O ATOM 0 H TYR A 59 -7.635 21.137 -9.082 1.00 52.32 H new ATOM 0 HA TYR A 59 -7.341 23.276 -9.615 1.00 51.13 H new ATOM 0 HB2 TYR A 59 -7.784 23.266 -7.002 1.00 21.53 H new ATOM 0 HB3 TYR A 59 -6.120 23.809 -6.910 1.00 21.53 H new ATOM 0 HD1 TYR A 59 -9.252 24.619 -8.824 1.00 13.40 H new ATOM 0 HD2 TYR A 59 -5.741 26.110 -6.927 1.00 12.41 H new ATOM 0 HE1 TYR A 59 -9.979 26.918 -9.291 1.00 10.51 H new ATOM 0 HE2 TYR A 59 -6.468 28.411 -7.386 1.00 62.33 H new ATOM 0 HH TYR A 59 -8.008 29.719 -8.276 1.00 40.51 H new ATOM 951 N LEU A 60 -4.968 23.077 -10.540 1.00 64.11 N ATOM 952 CA LEU A 60 -3.638 23.319 -11.090 1.00 31.50 C ATOM 953 C LEU A 60 -2.574 22.580 -10.285 1.00 45.00 C ATOM 954 O LEU A 60 -1.419 22.488 -10.701 1.00 42.02 O ATOM 955 CB LEU A 60 -3.335 24.818 -11.103 1.00 61.24 C ATOM 956 CG LEU A 60 -2.290 25.282 -12.119 1.00 11.24 C ATOM 957 CD1 LEU A 60 -2.962 25.943 -13.312 1.00 73.32 C ATOM 958 CD2 LEU A 60 -1.300 26.236 -11.466 1.00 40.25 C ATOM 0 H LEU A 60 -5.655 22.756 -11.223 1.00 64.11 H new ATOM 0 HA LEU A 60 -3.620 22.943 -12.113 1.00 31.50 H new ATOM 0 HB2 LEU A 60 -4.264 25.355 -11.296 1.00 61.24 H new ATOM 0 HB3 LEU A 60 -3.000 25.109 -10.108 1.00 61.24 H new ATOM 0 HG LEU A 60 -1.743 24.409 -12.475 1.00 11.24 H new ATOM 0 HD11 LEU A 60 -2.203 26.267 -14.024 1.00 73.32 H new ATOM 0 HD12 LEU A 60 -3.631 25.230 -13.794 1.00 73.32 H new ATOM 0 HD13 LEU A 60 -3.535 26.807 -12.975 1.00 73.32 H new ATOM 0 HD21 LEU A 60 -0.563 26.556 -12.203 1.00 40.25 H new ATOM 0 HD22 LEU A 60 -1.832 27.107 -11.083 1.00 40.25 H new ATOM 0 HD23 LEU A 60 -0.794 25.729 -10.644 1.00 40.25 H new TER 970 LEU A 60