USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 647 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.76) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.098 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0942 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 78:sc= 1.21 USER MOD Single : A 19 SER OG : rot 150:sc= -0.745 USER MOD Single : A 21 GLN : amide:sc= -0.0687 X(o=-0.069,f=-0.069) USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0719) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -128:sc= 0.0288 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -140:sc= -0.345 USER MOD Single : A 40 ASN : amide:sc= -0.0776 K(o=-0.078,f=-1.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 141:sc= -0.288 (180deg=-2.34!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.021) USER MOD Single : A 71 THR OG1 : rot 116:sc= -2.36! USER MOD Single : A 77 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.804 9.241 1.291 1.00 41.34 N ATOM 2 CA GLY A 1 3.063 9.537 0.632 1.00 53.43 C ATOM 3 C GLY A 1 4.260 9.040 1.418 1.00 74.04 C ATOM 4 O GLY A 1 4.132 8.549 2.539 1.00 21.33 O ATOM 0 H1 GLY A 1 1.264 8.562 0.718 1.00 41.34 H new ATOM 0 H2 GLY A 1 1.991 8.832 2.229 1.00 41.34 H new ATOM 0 H3 GLY A 1 1.254 10.117 1.399 1.00 41.34 H new ATOM 0 HA2 GLY A 1 3.067 9.081 -0.358 1.00 53.43 H new ATOM 0 HA3 GLY A 1 3.149 10.614 0.487 1.00 53.43 H new ATOM 8 N PRO A 2 5.456 9.164 0.823 1.00 33.14 N ATOM 9 CA PRO A 2 6.703 8.728 1.457 1.00 25.41 C ATOM 10 C PRO A 2 7.091 9.607 2.641 1.00 50.43 C ATOM 11 O PRO A 2 7.588 9.118 3.654 1.00 63.21 O ATOM 12 CB PRO A 2 7.736 8.857 0.334 1.00 33.02 C ATOM 13 CG PRO A 2 7.176 9.895 -0.577 1.00 25.33 C ATOM 14 CD PRO A 2 5.682 9.740 -0.513 1.00 1.13 C ATOM 0 HA PRO A 2 6.621 7.721 1.866 1.00 25.41 H new ATOM 0 HB2 PRO A 2 8.709 9.155 0.724 1.00 33.02 H new ATOM 0 HB3 PRO A 2 7.877 7.909 -0.185 1.00 33.02 H new ATOM 0 HG2 PRO A 2 7.478 10.894 -0.263 1.00 25.33 H new ATOM 0 HG3 PRO A 2 7.539 9.757 -1.595 1.00 25.33 H new ATOM 0 HD2 PRO A 2 5.173 10.697 -0.629 1.00 1.13 H new ATOM 0 HD3 PRO A 2 5.312 9.084 -1.301 1.00 1.13 H new ATOM 22 N GLY A 3 6.859 10.910 2.505 1.00 22.35 N ATOM 23 CA GLY A 3 7.190 11.837 3.572 1.00 71.31 C ATOM 24 C GLY A 3 8.334 12.760 3.203 1.00 10.32 C ATOM 25 O GLY A 3 8.479 13.839 3.777 1.00 2.43 O ATOM 0 H GLY A 3 6.448 11.339 1.676 1.00 22.35 H new ATOM 0 HA2 GLY A 3 6.311 12.433 3.817 1.00 71.31 H new ATOM 0 HA3 GLY A 3 7.455 11.276 4.468 1.00 71.31 H new ATOM 29 N SER A 4 9.150 12.335 2.244 1.00 53.54 N ATOM 30 CA SER A 4 10.290 13.130 1.803 1.00 64.21 C ATOM 31 C SER A 4 10.276 13.307 0.288 1.00 61.24 C ATOM 32 O SER A 4 9.412 12.767 -0.403 1.00 10.50 O ATOM 33 CB SER A 4 11.599 12.467 2.238 1.00 51.20 C ATOM 34 OG SER A 4 11.578 11.075 1.973 1.00 3.22 O ATOM 0 H SER A 4 9.043 11.445 1.758 1.00 53.54 H new ATOM 0 HA SER A 4 10.217 14.114 2.267 1.00 64.21 H new ATOM 0 HB2 SER A 4 12.436 12.928 1.713 1.00 51.20 H new ATOM 0 HB3 SER A 4 11.759 12.635 3.303 1.00 51.20 H new ATOM 0 HG SER A 4 12.426 10.675 2.258 1.00 3.22 H new ATOM 40 N MET A 5 11.240 14.067 -0.222 1.00 71.22 N ATOM 41 CA MET A 5 11.339 14.315 -1.656 1.00 25.42 C ATOM 42 C MET A 5 11.441 13.003 -2.428 1.00 50.34 C ATOM 43 O MET A 5 12.050 12.041 -1.960 1.00 0.52 O ATOM 44 CB MET A 5 12.554 15.195 -1.960 1.00 35.52 C ATOM 45 CG MET A 5 13.864 14.619 -1.449 1.00 24.10 C ATOM 46 SD MET A 5 14.687 13.576 -2.668 1.00 72.41 S ATOM 47 CE MET A 5 16.178 13.130 -1.782 1.00 0.15 C ATOM 0 H MET A 5 11.963 14.521 0.336 1.00 71.22 H new ATOM 0 HA MET A 5 10.435 14.834 -1.974 1.00 25.42 H new ATOM 0 HB2 MET A 5 12.626 15.341 -3.038 1.00 35.52 H new ATOM 0 HB3 MET A 5 12.401 16.178 -1.515 1.00 35.52 H new ATOM 0 HG2 MET A 5 14.529 15.435 -1.166 1.00 24.10 H new ATOM 0 HG3 MET A 5 13.673 14.036 -0.548 1.00 24.10 H new ATOM 0 HE1 MET A 5 16.793 12.483 -2.408 1.00 0.15 H new ATOM 0 HE2 MET A 5 16.737 14.032 -1.533 1.00 0.15 H new ATOM 0 HE3 MET A 5 15.913 12.603 -0.866 1.00 0.15 H new ATOM 57 N ASP A 6 10.841 12.972 -3.613 1.00 72.11 N ATOM 58 CA ASP A 6 10.865 11.779 -4.451 1.00 35.51 C ATOM 59 C ASP A 6 10.200 12.047 -5.798 1.00 21.23 C ATOM 60 O ASP A 6 9.452 13.011 -5.951 1.00 1.45 O ATOM 61 CB ASP A 6 10.162 10.619 -3.744 1.00 32.25 C ATOM 62 CG ASP A 6 10.696 9.268 -4.176 1.00 70.44 C ATOM 63 OD1 ASP A 6 11.872 9.200 -4.591 1.00 12.11 O ATOM 64 OD2 ASP A 6 9.938 8.278 -4.101 1.00 71.33 O ATOM 0 H ASP A 6 10.332 13.759 -4.015 1.00 72.11 H new ATOM 0 HA ASP A 6 11.907 11.510 -4.627 1.00 35.51 H new ATOM 0 HB2 ASP A 6 10.284 10.727 -2.666 1.00 32.25 H new ATOM 0 HB3 ASP A 6 9.093 10.666 -3.950 1.00 32.25 H new ATOM 69 N ASN A 7 10.480 11.187 -6.772 1.00 21.24 N ATOM 70 CA ASN A 7 9.911 11.332 -8.106 1.00 72.05 C ATOM 71 C ASN A 7 8.388 11.396 -8.044 1.00 52.23 C ATOM 72 O ASN A 7 7.763 12.213 -8.720 1.00 55.25 O ATOM 73 CB ASN A 7 10.347 10.168 -8.999 1.00 44.50 C ATOM 74 CG ASN A 7 9.932 8.822 -8.438 1.00 40.12 C ATOM 75 OD1 ASN A 7 10.624 8.247 -7.599 1.00 24.44 O ATOM 76 ND2 ASN A 7 8.796 8.313 -8.902 1.00 3.24 N ATOM 0 H ASN A 7 11.097 10.383 -6.662 1.00 21.24 H new ATOM 0 HA ASN A 7 10.280 12.266 -8.531 1.00 72.05 H new ATOM 0 HB2 ASN A 7 9.915 10.294 -9.992 1.00 44.50 H new ATOM 0 HB3 ASN A 7 11.430 10.191 -9.118 1.00 44.50 H new ATOM 0 HD21 ASN A 7 8.466 7.410 -8.562 1.00 3.24 H new ATOM 0 HD22 ASN A 7 8.254 8.825 -9.598 1.00 3.24 H new ATOM 83 N ASP A 8 7.798 10.530 -7.228 1.00 75.24 N ATOM 84 CA ASP A 8 6.348 10.489 -7.076 1.00 72.40 C ATOM 85 C ASP A 8 5.852 11.686 -6.271 1.00 72.13 C ATOM 86 O ASP A 8 4.647 11.902 -6.141 1.00 64.24 O ATOM 87 CB ASP A 8 5.922 9.188 -6.393 1.00 61.13 C ATOM 88 CG ASP A 8 4.705 8.563 -7.046 1.00 71.21 C ATOM 89 OD1 ASP A 8 4.762 8.282 -8.261 1.00 44.24 O ATOM 90 OD2 ASP A 8 3.694 8.355 -6.342 1.00 25.11 O ATOM 0 H ASP A 8 8.301 9.847 -6.662 1.00 75.24 H new ATOM 0 HA ASP A 8 5.902 10.532 -8.070 1.00 72.40 H new ATOM 0 HB2 ASP A 8 6.750 8.479 -6.420 1.00 61.13 H new ATOM 0 HB3 ASP A 8 5.706 9.386 -5.343 1.00 61.13 H new ATOM 95 N GLU A 9 6.789 12.460 -5.733 1.00 31.13 N ATOM 96 CA GLU A 9 6.446 13.634 -4.939 1.00 52.01 C ATOM 97 C GLU A 9 6.569 14.908 -5.771 1.00 33.34 C ATOM 98 O GLU A 9 5.924 15.916 -5.480 1.00 24.14 O ATOM 99 CB GLU A 9 7.349 13.727 -3.708 1.00 24.43 C ATOM 100 CG GLU A 9 6.766 14.571 -2.587 1.00 21.51 C ATOM 101 CD GLU A 9 5.539 13.939 -1.959 1.00 72.11 C ATOM 102 OE1 GLU A 9 5.146 12.838 -2.399 1.00 43.32 O ATOM 103 OE2 GLU A 9 4.971 14.546 -1.027 1.00 20.01 O ATOM 0 H GLU A 9 7.791 12.296 -5.832 1.00 31.13 H new ATOM 0 HA GLU A 9 5.411 13.531 -4.614 1.00 52.01 H new ATOM 0 HB2 GLU A 9 7.541 12.722 -3.332 1.00 24.43 H new ATOM 0 HB3 GLU A 9 8.311 14.146 -4.004 1.00 24.43 H new ATOM 0 HG2 GLU A 9 7.525 14.723 -1.819 1.00 21.51 H new ATOM 0 HG3 GLU A 9 6.504 15.555 -2.976 1.00 21.51 H new ATOM 110 N ILE A 10 7.400 14.854 -6.805 1.00 64.44 N ATOM 111 CA ILE A 10 7.608 16.002 -7.679 1.00 73.31 C ATOM 112 C ILE A 10 6.362 16.292 -8.510 1.00 4.00 C ATOM 113 O ILE A 10 5.825 17.399 -8.477 1.00 12.24 O ATOM 114 CB ILE A 10 8.802 15.781 -8.625 1.00 65.34 C ATOM 115 CG1 ILE A 10 10.083 15.553 -7.820 1.00 64.12 C ATOM 116 CG2 ILE A 10 8.963 16.969 -9.562 1.00 22.21 C ATOM 117 CD1 ILE A 10 11.112 14.714 -8.546 1.00 20.04 C ATOM 0 H ILE A 10 7.941 14.027 -7.059 1.00 64.44 H new ATOM 0 HA ILE A 10 7.820 16.855 -7.034 1.00 73.31 H new ATOM 0 HB ILE A 10 8.610 14.892 -9.227 1.00 65.34 H new ATOM 0 HG12 ILE A 10 10.523 16.519 -7.572 1.00 64.12 H new ATOM 0 HG13 ILE A 10 9.829 15.067 -6.878 1.00 64.12 H new ATOM 0 HG21 ILE A 10 9.811 16.797 -10.225 1.00 22.21 H new ATOM 0 HG22 ILE A 10 8.057 17.089 -10.156 1.00 22.21 H new ATOM 0 HG23 ILE A 10 9.136 17.873 -8.977 1.00 22.21 H new ATOM 0 HD11 ILE A 10 11.993 14.594 -7.916 1.00 20.04 H new ATOM 0 HD12 ILE A 10 10.690 13.734 -8.771 1.00 20.04 H new ATOM 0 HD13 ILE A 10 11.395 15.209 -9.475 1.00 20.04 H new ATOM 129 N PHE A 11 5.907 15.289 -9.254 1.00 43.41 N ATOM 130 CA PHE A 11 4.724 15.436 -10.094 1.00 1.33 C ATOM 131 C PHE A 11 3.471 15.613 -9.241 1.00 51.13 C ATOM 132 O PHE A 11 2.503 16.245 -9.665 1.00 2.24 O ATOM 133 CB PHE A 11 4.566 14.219 -11.007 1.00 21.45 C ATOM 134 CG PHE A 11 3.754 13.112 -10.395 1.00 45.42 C ATOM 135 CD1 PHE A 11 4.266 12.354 -9.354 1.00 14.40 C ATOM 136 CD2 PHE A 11 2.480 12.831 -10.861 1.00 64.03 C ATOM 137 CE1 PHE A 11 3.521 11.335 -8.790 1.00 41.53 C ATOM 138 CE2 PHE A 11 1.731 11.813 -10.301 1.00 40.52 C ATOM 139 CZ PHE A 11 2.252 11.065 -9.264 1.00 12.54 C ATOM 0 H PHE A 11 6.339 14.366 -9.292 1.00 43.41 H new ATOM 0 HA PHE A 11 4.853 16.327 -10.708 1.00 1.33 H new ATOM 0 HB2 PHE A 11 4.095 14.532 -11.939 1.00 21.45 H new ATOM 0 HB3 PHE A 11 5.554 13.836 -11.263 1.00 21.45 H new ATOM 0 HD1 PHE A 11 5.257 12.561 -8.979 1.00 14.40 H new ATOM 0 HD2 PHE A 11 2.067 13.414 -11.671 1.00 64.03 H new ATOM 0 HE1 PHE A 11 3.931 10.751 -7.980 1.00 41.53 H new ATOM 0 HE2 PHE A 11 0.740 11.603 -10.674 1.00 40.52 H new ATOM 0 HZ PHE A 11 1.668 10.270 -8.824 1.00 12.54 H new ATOM 149 N SER A 12 3.497 15.049 -8.038 1.00 13.21 N ATOM 150 CA SER A 12 2.362 15.140 -7.127 1.00 32.03 C ATOM 151 C SER A 12 2.294 16.520 -6.479 1.00 70.23 C ATOM 152 O SER A 12 1.255 17.179 -6.502 1.00 54.43 O ATOM 153 CB SER A 12 2.461 14.061 -6.046 1.00 53.51 C ATOM 154 OG SER A 12 1.722 14.426 -4.893 1.00 22.21 O ATOM 0 H SER A 12 4.291 14.524 -7.671 1.00 13.21 H new ATOM 0 HA SER A 12 1.451 14.984 -7.705 1.00 32.03 H new ATOM 0 HB2 SER A 12 2.087 13.115 -6.437 1.00 53.51 H new ATOM 0 HB3 SER A 12 3.506 13.905 -5.778 1.00 53.51 H new ATOM 0 HG SER A 12 1.800 13.720 -4.218 1.00 22.21 H new ATOM 160 N LYS A 13 3.410 16.951 -5.902 1.00 22.35 N ATOM 161 CA LYS A 13 3.481 18.252 -5.248 1.00 12.21 C ATOM 162 C LYS A 13 3.126 19.370 -6.223 1.00 11.54 C ATOM 163 O LYS A 13 2.264 20.203 -5.940 1.00 45.44 O ATOM 164 CB LYS A 13 4.882 18.484 -4.677 1.00 72.04 C ATOM 165 CG LYS A 13 5.053 19.842 -4.019 1.00 23.23 C ATOM 166 CD LYS A 13 6.328 19.905 -3.195 1.00 24.35 C ATOM 167 CE LYS A 13 6.862 21.326 -3.100 1.00 55.03 C ATOM 168 NZ LYS A 13 7.786 21.647 -4.223 1.00 11.32 N ATOM 0 H LYS A 13 4.279 16.418 -5.874 1.00 22.35 H new ATOM 0 HA LYS A 13 2.758 18.261 -4.433 1.00 12.21 H new ATOM 0 HB2 LYS A 13 5.101 17.705 -3.946 1.00 72.04 H new ATOM 0 HB3 LYS A 13 5.613 18.383 -5.479 1.00 72.04 H new ATOM 0 HG2 LYS A 13 5.074 20.618 -4.784 1.00 23.23 H new ATOM 0 HG3 LYS A 13 4.195 20.048 -3.380 1.00 23.23 H new ATOM 0 HD2 LYS A 13 6.134 19.520 -2.194 1.00 24.35 H new ATOM 0 HD3 LYS A 13 7.084 19.260 -3.643 1.00 24.35 H new ATOM 0 HE2 LYS A 13 6.028 22.028 -3.103 1.00 55.03 H new ATOM 0 HE3 LYS A 13 7.384 21.455 -2.152 1.00 55.03 H new ATOM 0 HZ1 LYS A 13 8.128 22.624 -4.122 1.00 11.32 H new ATOM 0 HZ2 LYS A 13 8.595 20.993 -4.205 1.00 11.32 H new ATOM 0 HZ3 LYS A 13 7.281 21.548 -5.127 1.00 11.32 H new ATOM 182 N VAL A 14 3.794 19.382 -7.372 1.00 5.45 N ATOM 183 CA VAL A 14 3.548 20.397 -8.389 1.00 74.12 C ATOM 184 C VAL A 14 2.101 20.353 -8.869 1.00 42.22 C ATOM 185 O VAL A 14 1.488 21.391 -9.121 1.00 23.15 O ATOM 186 CB VAL A 14 4.484 20.218 -9.599 1.00 20.11 C ATOM 187 CG1 VAL A 14 4.187 21.263 -10.663 1.00 42.14 C ATOM 188 CG2 VAL A 14 5.939 20.289 -9.161 1.00 1.41 C ATOM 0 H VAL A 14 4.510 18.700 -7.622 1.00 5.45 H new ATOM 0 HA VAL A 14 3.746 21.364 -7.926 1.00 74.12 H new ATOM 0 HB VAL A 14 4.306 19.234 -10.032 1.00 20.11 H new ATOM 0 HG11 VAL A 14 4.858 21.121 -11.510 1.00 42.14 H new ATOM 0 HG12 VAL A 14 3.155 21.159 -10.997 1.00 42.14 H new ATOM 0 HG13 VAL A 14 4.335 22.259 -10.246 1.00 42.14 H new ATOM 0 HG21 VAL A 14 6.587 20.161 -10.028 1.00 1.41 H new ATOM 0 HG22 VAL A 14 6.134 21.259 -8.703 1.00 1.41 H new ATOM 0 HG23 VAL A 14 6.140 19.499 -8.438 1.00 1.41 H new ATOM 198 N ARG A 15 1.561 19.145 -8.994 1.00 2.32 N ATOM 199 CA ARG A 15 0.186 18.966 -9.444 1.00 63.15 C ATOM 200 C ARG A 15 -0.800 19.472 -8.396 1.00 21.11 C ATOM 201 O ARG A 15 -1.898 19.920 -8.727 1.00 21.52 O ATOM 202 CB ARG A 15 -0.086 17.491 -9.746 1.00 43.01 C ATOM 203 CG ARG A 15 -1.561 17.128 -9.728 1.00 74.30 C ATOM 204 CD ARG A 15 -1.993 16.618 -8.362 1.00 0.22 C ATOM 205 NE ARG A 15 -1.174 15.495 -7.913 1.00 10.54 N ATOM 206 CZ ARG A 15 -1.390 14.835 -6.780 1.00 43.14 C ATOM 207 NH1 ARG A 15 -2.393 15.183 -5.987 1.00 54.11 N ATOM 208 NH2 ARG A 15 -0.601 13.824 -6.440 1.00 3.00 N ATOM 0 H ARG A 15 2.055 18.276 -8.790 1.00 2.32 H new ATOM 0 HA ARG A 15 0.050 19.548 -10.356 1.00 63.15 H new ATOM 0 HB2 ARG A 15 0.328 17.247 -10.724 1.00 43.01 H new ATOM 0 HB3 ARG A 15 0.440 16.876 -9.015 1.00 43.01 H new ATOM 0 HG2 ARG A 15 -2.155 18.002 -9.996 1.00 74.30 H new ATOM 0 HG3 ARG A 15 -1.758 16.365 -10.481 1.00 74.30 H new ATOM 0 HD2 ARG A 15 -1.927 17.428 -7.635 1.00 0.22 H new ATOM 0 HD3 ARG A 15 -3.038 16.311 -8.404 1.00 0.22 H new ATOM 0 HE ARG A 15 -0.394 15.201 -8.501 1.00 10.54 H new ATOM 0 HH11 ARG A 15 -3.002 15.959 -6.246 1.00 54.11 H new ATOM 0 HH12 ARG A 15 -2.556 14.674 -5.118 1.00 54.11 H new ATOM 0 HH21 ARG A 15 0.172 13.553 -7.048 1.00 3.00 H new ATOM 0 HH22 ARG A 15 -0.767 13.318 -5.570 1.00 3.00 H new ATOM 222 N SER A 16 -0.401 19.397 -7.130 1.00 65.03 N ATOM 223 CA SER A 16 -1.251 19.843 -6.033 1.00 4.22 C ATOM 224 C SER A 16 -1.584 21.325 -6.172 1.00 12.40 C ATOM 225 O SER A 16 -2.598 21.796 -5.655 1.00 72.44 O ATOM 226 CB SER A 16 -0.563 19.588 -4.690 1.00 64.54 C ATOM 227 OG SER A 16 -0.184 18.228 -4.562 1.00 40.01 O ATOM 0 H SER A 16 0.506 19.031 -6.839 1.00 65.03 H new ATOM 0 HA SER A 16 -2.180 19.274 -6.072 1.00 4.22 H new ATOM 0 HB2 SER A 16 0.318 20.224 -4.602 1.00 64.54 H new ATOM 0 HB3 SER A 16 -1.235 19.860 -3.876 1.00 64.54 H new ATOM 0 HG SER A 16 0.629 18.064 -5.085 1.00 40.01 H new ATOM 233 N ILE A 17 -0.724 22.056 -6.873 1.00 64.42 N ATOM 234 CA ILE A 17 -0.927 23.484 -7.082 1.00 23.13 C ATOM 235 C ILE A 17 -1.986 23.738 -8.149 1.00 1.52 C ATOM 236 O ILE A 17 -2.963 24.449 -7.911 1.00 1.13 O ATOM 237 CB ILE A 17 0.381 24.184 -7.495 1.00 42.02 C ATOM 238 CG1 ILE A 17 1.393 24.142 -6.348 1.00 34.21 C ATOM 239 CG2 ILE A 17 0.104 25.621 -7.912 1.00 20.24 C ATOM 240 CD1 ILE A 17 2.456 23.080 -6.519 1.00 21.33 C ATOM 0 H ILE A 17 0.121 21.682 -7.306 1.00 64.42 H new ATOM 0 HA ILE A 17 -1.266 23.897 -6.132 1.00 23.13 H new ATOM 0 HB ILE A 17 0.805 23.654 -8.348 1.00 42.02 H new ATOM 0 HG12 ILE A 17 1.874 25.116 -6.263 1.00 34.21 H new ATOM 0 HG13 ILE A 17 0.862 23.966 -5.412 1.00 34.21 H new ATOM 0 HG21 ILE A 17 1.038 26.102 -8.201 1.00 20.24 H new ATOM 0 HG22 ILE A 17 -0.585 25.628 -8.757 1.00 20.24 H new ATOM 0 HG23 ILE A 17 -0.340 26.163 -7.077 1.00 20.24 H new ATOM 0 HD11 ILE A 17 3.138 23.108 -5.669 1.00 21.33 H new ATOM 0 HD12 ILE A 17 1.985 22.099 -6.573 1.00 21.33 H new ATOM 0 HD13 ILE A 17 3.012 23.267 -7.438 1.00 21.33 H new ATOM 252 N ILE A 18 -1.786 23.152 -9.324 1.00 52.54 N ATOM 253 CA ILE A 18 -2.726 23.314 -10.427 1.00 63.51 C ATOM 254 C ILE A 18 -4.036 22.588 -10.143 1.00 73.41 C ATOM 255 O ILE A 18 -5.103 23.014 -10.586 1.00 2.54 O ATOM 256 CB ILE A 18 -2.137 22.788 -11.750 1.00 20.03 C ATOM 257 CG1 ILE A 18 -1.735 21.319 -11.606 1.00 71.41 C ATOM 258 CG2 ILE A 18 -0.942 23.631 -12.170 1.00 31.05 C ATOM 259 CD1 ILE A 18 -1.182 20.716 -12.879 1.00 3.54 C ATOM 0 H ILE A 18 -0.982 22.561 -9.537 1.00 52.54 H new ATOM 0 HA ILE A 18 -2.919 24.382 -10.524 1.00 63.51 H new ATOM 0 HB ILE A 18 -2.900 22.862 -12.525 1.00 20.03 H new ATOM 0 HG12 ILE A 18 -0.988 21.231 -10.817 1.00 71.41 H new ATOM 0 HG13 ILE A 18 -2.604 20.742 -11.288 1.00 71.41 H new ATOM 0 HG21 ILE A 18 -0.537 23.247 -13.106 1.00 31.05 H new ATOM 0 HG22 ILE A 18 -1.257 24.665 -12.308 1.00 31.05 H new ATOM 0 HG23 ILE A 18 -0.175 23.585 -11.397 1.00 31.05 H new ATOM 0 HD11 ILE A 18 -0.918 19.673 -12.703 1.00 3.54 H new ATOM 0 HD12 ILE A 18 -1.935 20.772 -13.665 1.00 3.54 H new ATOM 0 HD13 ILE A 18 -0.294 21.268 -13.187 1.00 3.54 H new ATOM 271 N SER A 19 -3.949 21.489 -9.401 1.00 21.35 N ATOM 272 CA SER A 19 -5.128 20.702 -9.058 1.00 62.44 C ATOM 273 C SER A 19 -6.089 21.511 -8.192 1.00 64.43 C ATOM 274 O SER A 19 -7.301 21.306 -8.235 1.00 31.30 O ATOM 275 CB SER A 19 -4.718 19.422 -8.327 1.00 10.03 C ATOM 276 OG SER A 19 -4.198 19.714 -7.041 1.00 73.21 O ATOM 0 H SER A 19 -3.074 21.123 -9.026 1.00 21.35 H new ATOM 0 HA SER A 19 -5.638 20.436 -9.984 1.00 62.44 H new ATOM 0 HB2 SER A 19 -5.580 18.761 -8.233 1.00 10.03 H new ATOM 0 HB3 SER A 19 -3.970 18.889 -8.913 1.00 10.03 H new ATOM 0 HG SER A 19 -4.387 18.968 -6.435 1.00 73.21 H new ATOM 282 N GLU A 20 -5.536 22.430 -7.407 1.00 53.43 N ATOM 283 CA GLU A 20 -6.344 23.270 -6.530 1.00 60.03 C ATOM 284 C GLU A 20 -7.233 24.208 -7.342 1.00 45.11 C ATOM 285 O GLU A 20 -8.393 24.432 -6.998 1.00 43.11 O ATOM 286 CB GLU A 20 -5.445 24.083 -5.596 1.00 33.52 C ATOM 287 CG GLU A 20 -6.215 24.945 -4.609 1.00 44.25 C ATOM 288 CD GLU A 20 -6.999 24.124 -3.604 1.00 41.24 C ATOM 289 OE1 GLU A 20 -6.382 23.606 -2.650 1.00 71.15 O ATOM 290 OE2 GLU A 20 -8.230 24.001 -3.772 1.00 74.53 O ATOM 0 H GLU A 20 -4.533 22.612 -7.360 1.00 53.43 H new ATOM 0 HA GLU A 20 -6.982 22.619 -5.933 1.00 60.03 H new ATOM 0 HB2 GLU A 20 -4.799 23.401 -5.043 1.00 33.52 H new ATOM 0 HB3 GLU A 20 -4.796 24.722 -6.195 1.00 33.52 H new ATOM 0 HG2 GLU A 20 -5.518 25.593 -4.078 1.00 44.25 H new ATOM 0 HG3 GLU A 20 -6.900 25.593 -5.156 1.00 44.25 H new ATOM 297 N GLN A 21 -6.678 24.753 -8.420 1.00 52.31 N ATOM 298 CA GLN A 21 -7.420 25.668 -9.280 1.00 43.10 C ATOM 299 C GLN A 21 -8.236 24.901 -10.315 1.00 43.14 C ATOM 300 O GLN A 21 -9.449 25.084 -10.425 1.00 0.03 O ATOM 301 CB GLN A 21 -6.461 26.632 -9.981 1.00 53.40 C ATOM 302 CG GLN A 21 -7.159 27.807 -10.647 1.00 14.21 C ATOM 303 CD GLN A 21 -7.793 28.753 -9.646 1.00 3.41 C ATOM 304 OE1 GLN A 21 -9.013 28.774 -9.480 1.00 4.50 O ATOM 305 NE2 GLN A 21 -6.965 29.543 -8.972 1.00 1.13 N ATOM 0 H GLN A 21 -5.719 24.577 -8.718 1.00 52.31 H new ATOM 0 HA GLN A 21 -8.106 26.239 -8.655 1.00 43.10 H new ATOM 0 HB2 GLN A 21 -5.744 27.011 -9.253 1.00 53.40 H new ATOM 0 HB3 GLN A 21 -5.893 26.084 -10.733 1.00 53.40 H new ATOM 0 HG2 GLN A 21 -6.439 28.356 -11.254 1.00 14.21 H new ATOM 0 HG3 GLN A 21 -7.927 27.432 -11.324 1.00 14.21 H new ATOM 0 HE21 GLN A 21 -5.960 29.492 -9.141 1.00 1.13 H new ATOM 0 HE22 GLN A 21 -7.334 30.201 -8.285 1.00 1.13 H new ATOM 314 N LEU A 22 -7.563 24.043 -11.074 1.00 20.44 N ATOM 315 CA LEU A 22 -8.226 23.247 -12.101 1.00 43.24 C ATOM 316 C LEU A 22 -9.230 22.282 -11.480 1.00 13.32 C ATOM 317 O LEU A 22 -10.199 21.879 -12.124 1.00 12.33 O ATOM 318 CB LEU A 22 -7.192 22.469 -12.918 1.00 10.43 C ATOM 319 CG LEU A 22 -6.535 23.231 -14.069 1.00 42.22 C ATOM 320 CD1 LEU A 22 -5.372 24.069 -13.560 1.00 55.41 C ATOM 321 CD2 LEU A 22 -6.066 22.266 -15.148 1.00 53.15 C ATOM 0 H LEU A 22 -6.559 23.881 -10.998 1.00 20.44 H new ATOM 0 HA LEU A 22 -8.765 23.927 -12.761 1.00 43.24 H new ATOM 0 HB2 LEU A 22 -6.409 22.125 -12.242 1.00 10.43 H new ATOM 0 HB3 LEU A 22 -7.674 21.580 -13.325 1.00 10.43 H new ATOM 0 HG LEU A 22 -7.276 23.901 -14.505 1.00 42.22 H new ATOM 0 HD11 LEU A 22 -4.917 24.604 -14.393 1.00 55.41 H new ATOM 0 HD12 LEU A 22 -5.735 24.786 -12.823 1.00 55.41 H new ATOM 0 HD13 LEU A 22 -4.630 23.418 -13.098 1.00 55.41 H new ATOM 0 HD21 LEU A 22 -5.601 22.826 -15.959 1.00 53.15 H new ATOM 0 HD22 LEU A 22 -5.341 21.571 -14.724 1.00 53.15 H new ATOM 0 HD23 LEU A 22 -6.920 21.709 -15.534 1.00 53.15 H new ATOM 333 N ASP A 23 -8.993 21.917 -10.225 1.00 15.53 N ATOM 334 CA ASP A 23 -9.879 21.002 -9.514 1.00 53.43 C ATOM 335 C ASP A 23 -9.876 19.625 -10.169 1.00 62.32 C ATOM 336 O ASP A 23 -10.817 18.847 -10.010 1.00 0.01 O ATOM 337 CB ASP A 23 -11.303 21.561 -9.480 1.00 22.34 C ATOM 338 CG ASP A 23 -12.109 21.018 -8.316 1.00 74.03 C ATOM 339 OD1 ASP A 23 -11.509 20.738 -7.257 1.00 73.43 O ATOM 340 OD2 ASP A 23 -13.341 20.874 -8.464 1.00 42.45 O ATOM 0 H ASP A 23 -8.195 22.241 -9.679 1.00 15.53 H new ATOM 0 HA ASP A 23 -9.512 20.900 -8.493 1.00 53.43 H new ATOM 0 HB2 ASP A 23 -11.262 22.648 -9.414 1.00 22.34 H new ATOM 0 HB3 ASP A 23 -11.809 21.317 -10.414 1.00 22.34 H new ATOM 345 N LYS A 24 -8.812 19.329 -10.908 1.00 25.14 N ATOM 346 CA LYS A 24 -8.684 18.045 -11.587 1.00 50.33 C ATOM 347 C LYS A 24 -7.869 17.065 -10.750 1.00 63.12 C ATOM 348 O LYS A 24 -7.425 17.392 -9.649 1.00 72.31 O ATOM 349 CB LYS A 24 -8.026 18.233 -12.956 1.00 55.14 C ATOM 350 CG LYS A 24 -8.945 18.858 -13.992 1.00 75.40 C ATOM 351 CD LYS A 24 -9.897 17.832 -14.584 1.00 33.20 C ATOM 352 CE LYS A 24 -9.305 17.169 -15.818 1.00 60.21 C ATOM 353 NZ LYS A 24 -9.319 18.078 -16.997 1.00 54.32 N ATOM 0 H LYS A 24 -8.025 19.962 -11.052 1.00 25.14 H new ATOM 0 HA LYS A 24 -9.684 17.633 -11.724 1.00 50.33 H new ATOM 0 HB2 LYS A 24 -7.142 18.860 -12.842 1.00 55.14 H new ATOM 0 HB3 LYS A 24 -7.685 17.265 -13.322 1.00 55.14 H new ATOM 0 HG2 LYS A 24 -9.517 19.664 -13.533 1.00 75.40 H new ATOM 0 HG3 LYS A 24 -8.348 19.304 -14.788 1.00 75.40 H new ATOM 0 HD2 LYS A 24 -10.126 17.073 -13.836 1.00 33.20 H new ATOM 0 HD3 LYS A 24 -10.838 18.316 -14.846 1.00 33.20 H new ATOM 0 HE2 LYS A 24 -8.280 16.862 -15.609 1.00 60.21 H new ATOM 0 HE3 LYS A 24 -9.868 16.265 -16.050 1.00 60.21 H new ATOM 0 HZ1 LYS A 24 -9.135 17.529 -17.861 1.00 54.32 H new ATOM 0 HZ2 LYS A 24 -10.249 18.537 -17.070 1.00 54.32 H new ATOM 0 HZ3 LYS A 24 -8.583 18.804 -16.884 1.00 54.32 H new ATOM 367 N LYS A 25 -7.673 15.862 -11.280 1.00 12.04 N ATOM 368 CA LYS A 25 -6.909 14.834 -10.583 1.00 43.12 C ATOM 369 C LYS A 25 -5.510 14.701 -11.176 1.00 44.22 C ATOM 370 O LYS A 25 -5.254 15.153 -12.292 1.00 23.22 O ATOM 371 CB LYS A 25 -7.636 13.490 -10.659 1.00 21.34 C ATOM 372 CG LYS A 25 -8.907 13.439 -9.829 1.00 32.40 C ATOM 373 CD LYS A 25 -10.120 13.860 -10.641 1.00 53.40 C ATOM 374 CE LYS A 25 -11.193 14.480 -9.759 1.00 14.10 C ATOM 375 NZ LYS A 25 -12.152 13.460 -9.252 1.00 74.34 N ATOM 0 H LYS A 25 -8.033 15.575 -12.190 1.00 12.04 H new ATOM 0 HA LYS A 25 -6.816 15.131 -9.538 1.00 43.12 H new ATOM 0 HB2 LYS A 25 -7.883 13.278 -11.699 1.00 21.34 H new ATOM 0 HB3 LYS A 25 -6.961 12.702 -10.324 1.00 21.34 H new ATOM 0 HG2 LYS A 25 -9.055 12.428 -9.450 1.00 32.40 H new ATOM 0 HG3 LYS A 25 -8.803 14.092 -8.963 1.00 32.40 H new ATOM 0 HD2 LYS A 25 -9.817 14.576 -11.405 1.00 53.40 H new ATOM 0 HD3 LYS A 25 -10.530 12.994 -11.160 1.00 53.40 H new ATOM 0 HE2 LYS A 25 -10.722 14.987 -8.916 1.00 14.10 H new ATOM 0 HE3 LYS A 25 -11.735 15.238 -10.325 1.00 14.10 H new ATOM 0 HZ1 LYS A 25 -12.867 13.922 -8.655 1.00 74.34 H new ATOM 0 HZ2 LYS A 25 -12.620 12.994 -10.055 1.00 74.34 H new ATOM 0 HZ3 LYS A 25 -11.639 12.750 -8.691 1.00 74.34 H new ATOM 389 N GLU A 26 -4.609 14.078 -10.423 1.00 31.42 N ATOM 390 CA GLU A 26 -3.237 13.885 -10.876 1.00 5.42 C ATOM 391 C GLU A 26 -3.188 12.957 -12.086 1.00 21.11 C ATOM 392 O GLU A 26 -2.179 12.886 -12.787 1.00 45.01 O ATOM 393 CB GLU A 26 -2.378 13.313 -9.746 1.00 13.45 C ATOM 394 CG GLU A 26 -2.565 11.820 -9.535 1.00 15.30 C ATOM 395 CD GLU A 26 -3.995 11.455 -9.183 1.00 44.52 C ATOM 396 OE1 GLU A 26 -4.581 12.129 -8.310 1.00 5.41 O ATOM 397 OE2 GLU A 26 -4.527 10.497 -9.780 1.00 60.32 O ATOM 0 H GLU A 26 -4.805 13.698 -9.497 1.00 31.42 H new ATOM 0 HA GLU A 26 -2.839 14.857 -11.169 1.00 5.42 H new ATOM 0 HB2 GLU A 26 -1.328 13.512 -9.962 1.00 13.45 H new ATOM 0 HB3 GLU A 26 -2.617 13.835 -8.819 1.00 13.45 H new ATOM 0 HG2 GLU A 26 -2.271 11.289 -10.440 1.00 15.30 H new ATOM 0 HG3 GLU A 26 -1.901 11.483 -8.738 1.00 15.30 H new ATOM 404 N ASP A 27 -4.285 12.247 -12.323 1.00 71.24 N ATOM 405 CA ASP A 27 -4.369 11.323 -13.448 1.00 71.44 C ATOM 406 C ASP A 27 -4.679 12.069 -14.743 1.00 22.45 C ATOM 407 O ASP A 27 -4.982 11.456 -15.765 1.00 70.45 O ATOM 408 CB ASP A 27 -5.441 10.263 -13.187 1.00 2.22 C ATOM 409 CG ASP A 27 -5.175 8.973 -13.937 1.00 41.02 C ATOM 410 OD1 ASP A 27 -4.255 8.956 -14.782 1.00 1.31 O ATOM 411 OD2 ASP A 27 -5.886 7.980 -13.679 1.00 71.32 O ATOM 0 H ASP A 27 -5.128 12.293 -11.751 1.00 71.24 H new ATOM 0 HA ASP A 27 -3.402 10.832 -13.555 1.00 71.44 H new ATOM 0 HB2 ASP A 27 -5.489 10.055 -12.118 1.00 2.22 H new ATOM 0 HB3 ASP A 27 -6.415 10.656 -13.480 1.00 2.22 H new ATOM 416 N GLU A 28 -4.601 13.395 -14.688 1.00 72.45 N ATOM 417 CA GLU A 28 -4.875 14.223 -15.856 1.00 54.45 C ATOM 418 C GLU A 28 -3.717 14.167 -16.848 1.00 22.31 C ATOM 419 O GLU A 28 -3.888 14.446 -18.035 1.00 3.41 O ATOM 420 CB GLU A 28 -5.129 15.672 -15.433 1.00 63.15 C ATOM 421 CG GLU A 28 -4.560 16.697 -16.400 1.00 62.34 C ATOM 422 CD GLU A 28 -5.044 18.104 -16.111 1.00 13.03 C ATOM 423 OE1 GLU A 28 -4.597 18.689 -15.102 1.00 23.10 O ATOM 424 OE2 GLU A 28 -5.871 18.620 -16.892 1.00 4.24 O ATOM 0 H GLU A 28 -4.351 13.918 -13.849 1.00 72.45 H new ATOM 0 HA GLU A 28 -5.768 13.832 -16.345 1.00 54.45 H new ATOM 0 HB2 GLU A 28 -6.203 15.831 -15.339 1.00 63.15 H new ATOM 0 HB3 GLU A 28 -4.695 15.835 -14.447 1.00 63.15 H new ATOM 0 HG2 GLU A 28 -3.471 16.674 -16.349 1.00 62.34 H new ATOM 0 HG3 GLU A 28 -4.837 16.423 -17.418 1.00 62.34 H new ATOM 431 N ILE A 29 -2.539 13.804 -16.352 1.00 62.40 N ATOM 432 CA ILE A 29 -1.352 13.710 -17.194 1.00 34.34 C ATOM 433 C ILE A 29 -1.640 12.915 -18.463 1.00 12.31 C ATOM 434 O ILE A 29 -1.743 11.688 -18.432 1.00 4.43 O ATOM 435 CB ILE A 29 -0.181 13.050 -16.443 1.00 64.20 C ATOM 436 CG1 ILE A 29 0.161 13.848 -15.183 1.00 41.23 C ATOM 437 CG2 ILE A 29 1.035 12.938 -17.352 1.00 14.04 C ATOM 438 CD1 ILE A 29 0.704 15.230 -15.472 1.00 64.04 C ATOM 0 H ILE A 29 -2.381 13.570 -15.372 1.00 62.40 H new ATOM 0 HA ILE A 29 -1.073 14.729 -17.462 1.00 34.34 H new ATOM 0 HB ILE A 29 -0.481 12.046 -16.144 1.00 64.20 H new ATOM 0 HG12 ILE A 29 -0.733 13.939 -14.567 1.00 41.23 H new ATOM 0 HG13 ILE A 29 0.895 13.293 -14.599 1.00 41.23 H new ATOM 0 HG21 ILE A 29 1.855 12.470 -16.807 1.00 14.04 H new ATOM 0 HG22 ILE A 29 0.784 12.331 -18.222 1.00 14.04 H new ATOM 0 HG23 ILE A 29 1.338 13.933 -17.678 1.00 14.04 H new ATOM 0 HD11 ILE A 29 0.924 15.738 -14.533 1.00 64.04 H new ATOM 0 HD12 ILE A 29 1.617 15.146 -16.062 1.00 64.04 H new ATOM 0 HD13 ILE A 29 -0.037 15.803 -16.029 1.00 64.04 H new ATOM 450 N THR A 30 -1.768 13.623 -19.581 1.00 74.22 N ATOM 451 CA THR A 30 -2.044 12.985 -20.862 1.00 64.52 C ATOM 452 C THR A 30 -1.694 13.908 -22.023 1.00 44.32 C ATOM 453 O THR A 30 -1.518 15.113 -21.841 1.00 4.43 O ATOM 454 CB THR A 30 -3.523 12.571 -20.978 1.00 10.44 C ATOM 455 OG1 THR A 30 -3.727 11.808 -22.172 1.00 23.12 O ATOM 456 CG2 THR A 30 -4.427 13.795 -20.991 1.00 70.25 C ATOM 0 H THR A 30 -1.685 14.639 -19.625 1.00 74.22 H new ATOM 0 HA THR A 30 -1.420 12.092 -20.910 1.00 64.52 H new ATOM 0 HB THR A 30 -3.776 11.961 -20.111 1.00 10.44 H new ATOM 0 HG1 THR A 30 -4.471 12.192 -22.682 1.00 23.12 H new ATOM 0 HG21 THR A 30 -5.467 13.479 -21.074 1.00 70.25 H new ATOM 0 HG22 THR A 30 -4.291 14.357 -20.067 1.00 70.25 H new ATOM 0 HG23 THR A 30 -4.172 14.427 -21.842 1.00 70.25 H new ATOM 464 N THR A 31 -1.594 13.336 -23.219 1.00 55.53 N ATOM 465 CA THR A 31 -1.265 14.109 -24.411 1.00 31.34 C ATOM 466 C THR A 31 -2.492 14.834 -24.952 1.00 64.24 C ATOM 467 O THR A 31 -2.386 15.659 -25.860 1.00 72.21 O ATOM 468 CB THR A 31 -0.682 13.211 -25.519 1.00 15.14 C ATOM 469 OG1 THR A 31 -1.708 12.370 -26.057 1.00 72.44 O ATOM 470 CG2 THR A 31 0.453 12.354 -24.980 1.00 33.25 C ATOM 0 H THR A 31 -1.736 12.340 -23.388 1.00 55.53 H new ATOM 0 HA THR A 31 -0.515 14.842 -24.116 1.00 31.34 H new ATOM 0 HB THR A 31 -0.288 13.853 -26.307 1.00 15.14 H new ATOM 0 HG1 THR A 31 -1.330 11.803 -26.762 1.00 72.44 H new ATOM 0 HG21 THR A 31 0.848 11.729 -25.780 1.00 33.25 H new ATOM 0 HG22 THR A 31 1.245 12.998 -24.597 1.00 33.25 H new ATOM 0 HG23 THR A 31 0.080 11.720 -24.175 1.00 33.25 H new ATOM 478 N ASP A 32 -3.654 14.522 -24.390 1.00 21.21 N ATOM 479 CA ASP A 32 -4.901 15.146 -24.816 1.00 34.43 C ATOM 480 C ASP A 32 -5.256 16.322 -23.912 1.00 54.53 C ATOM 481 O ASP A 32 -6.412 16.741 -23.847 1.00 32.02 O ATOM 482 CB ASP A 32 -6.037 14.121 -24.809 1.00 40.14 C ATOM 483 CG ASP A 32 -5.602 12.772 -25.347 1.00 74.13 C ATOM 484 OD1 ASP A 32 -5.325 12.678 -26.562 1.00 1.34 O ATOM 485 OD2 ASP A 32 -5.539 11.810 -24.554 1.00 30.20 O ATOM 0 H ASP A 32 -3.759 13.841 -23.638 1.00 21.21 H new ATOM 0 HA ASP A 32 -4.764 15.519 -25.831 1.00 34.43 H new ATOM 0 HB2 ASP A 32 -6.408 14.001 -23.791 1.00 40.14 H new ATOM 0 HB3 ASP A 32 -6.866 14.498 -25.408 1.00 40.14 H new ATOM 490 N SER A 33 -4.255 16.851 -23.217 1.00 2.24 N ATOM 491 CA SER A 33 -4.462 17.977 -22.313 1.00 32.30 C ATOM 492 C SER A 33 -3.580 19.158 -22.705 1.00 64.10 C ATOM 493 O SER A 33 -4.068 20.268 -22.916 1.00 4.32 O ATOM 494 CB SER A 33 -4.166 17.561 -20.871 1.00 15.24 C ATOM 495 OG SER A 33 -5.116 16.617 -20.407 1.00 11.10 O ATOM 0 H SER A 33 -3.292 16.518 -23.262 1.00 2.24 H new ATOM 0 HA SER A 33 -5.505 18.285 -22.388 1.00 32.30 H new ATOM 0 HB2 SER A 33 -3.165 17.134 -20.811 1.00 15.24 H new ATOM 0 HB3 SER A 33 -4.177 18.440 -20.226 1.00 15.24 H new ATOM 0 HG SER A 33 -5.347 16.816 -19.476 1.00 11.10 H new ATOM 501 N ARG A 34 -2.278 18.909 -22.801 1.00 4.43 N ATOM 502 CA ARG A 34 -1.326 19.952 -23.166 1.00 23.51 C ATOM 503 C ARG A 34 -1.309 21.063 -22.121 1.00 2.04 C ATOM 504 O ARG A 34 -1.936 20.949 -21.067 1.00 72.25 O ATOM 505 CB ARG A 34 -1.674 20.532 -24.538 1.00 12.23 C ATOM 506 CG ARG A 34 -1.791 19.483 -25.631 1.00 41.13 C ATOM 507 CD ARG A 34 -0.482 19.318 -26.387 1.00 42.53 C ATOM 508 NE ARG A 34 -0.321 20.328 -27.430 1.00 10.41 N ATOM 509 CZ ARG A 34 0.641 20.293 -28.345 1.00 41.31 C ATOM 510 NH1 ARG A 34 1.523 19.304 -28.347 1.00 23.54 N ATOM 511 NH2 ARG A 34 0.722 21.249 -29.262 1.00 13.32 N ATOM 0 H ARG A 34 -1.858 17.995 -22.631 1.00 4.43 H new ATOM 0 HA ARG A 34 -0.333 19.504 -23.210 1.00 23.51 H new ATOM 0 HB2 ARG A 34 -2.616 21.075 -24.465 1.00 12.23 H new ATOM 0 HB3 ARG A 34 -0.910 21.256 -24.821 1.00 12.23 H new ATOM 0 HG2 ARG A 34 -2.081 18.529 -25.191 1.00 41.13 H new ATOM 0 HG3 ARG A 34 -2.581 19.767 -26.326 1.00 41.13 H new ATOM 0 HD2 ARG A 34 0.351 19.383 -25.687 1.00 42.53 H new ATOM 0 HD3 ARG A 34 -0.445 18.325 -26.835 1.00 42.53 H new ATOM 0 HE ARG A 34 -0.984 21.103 -27.457 1.00 10.41 H new ATOM 0 HH11 ARG A 34 1.464 18.567 -27.645 1.00 23.54 H new ATOM 0 HH12 ARG A 34 2.261 19.280 -29.051 1.00 23.54 H new ATOM 0 HH21 ARG A 34 0.045 22.012 -29.265 1.00 13.32 H new ATOM 0 HH22 ARG A 34 1.461 21.221 -29.964 1.00 13.32 H new ATOM 525 N PHE A 35 -0.586 22.138 -22.419 1.00 31.42 N ATOM 526 CA PHE A 35 -0.486 23.269 -21.505 1.00 1.34 C ATOM 527 C PHE A 35 -1.818 24.007 -21.405 1.00 3.52 C ATOM 528 O PHE A 35 -2.132 24.609 -20.378 1.00 5.04 O ATOM 529 CB PHE A 35 0.610 24.231 -21.968 1.00 52.44 C ATOM 530 CG PHE A 35 1.965 23.592 -22.070 1.00 41.14 C ATOM 531 CD1 PHE A 35 2.599 23.098 -20.942 1.00 4.42 C ATOM 532 CD2 PHE A 35 2.604 23.484 -23.295 1.00 5.22 C ATOM 533 CE1 PHE A 35 3.847 22.510 -21.033 1.00 11.41 C ATOM 534 CE2 PHE A 35 3.852 22.897 -23.392 1.00 71.22 C ATOM 535 CZ PHE A 35 4.473 22.408 -22.260 1.00 3.33 C ATOM 0 H PHE A 35 -0.061 22.249 -23.286 1.00 31.42 H new ATOM 0 HA PHE A 35 -0.229 22.885 -20.518 1.00 1.34 H new ATOM 0 HB2 PHE A 35 0.336 24.640 -22.940 1.00 52.44 H new ATOM 0 HB3 PHE A 35 0.664 25.069 -21.273 1.00 52.44 H new ATOM 0 HD1 PHE A 35 2.113 23.173 -19.980 1.00 4.42 H new ATOM 0 HD2 PHE A 35 2.122 23.863 -24.184 1.00 5.22 H new ATOM 0 HE1 PHE A 35 4.332 22.131 -20.146 1.00 11.41 H new ATOM 0 HE2 PHE A 35 4.341 22.821 -24.352 1.00 71.22 H new ATOM 0 HZ PHE A 35 5.447 21.946 -22.334 1.00 3.33 H new ATOM 545 N VAL A 36 -2.597 23.957 -22.480 1.00 53.23 N ATOM 546 CA VAL A 36 -3.896 24.620 -22.515 1.00 65.01 C ATOM 547 C VAL A 36 -4.831 24.052 -21.454 1.00 73.42 C ATOM 548 O VAL A 36 -5.467 24.797 -20.710 1.00 2.32 O ATOM 549 CB VAL A 36 -4.560 24.481 -23.898 1.00 21.13 C ATOM 550 CG1 VAL A 36 -3.858 25.363 -24.919 1.00 11.33 C ATOM 551 CG2 VAL A 36 -4.557 23.027 -24.346 1.00 12.13 C ATOM 0 H VAL A 36 -2.352 23.464 -23.339 1.00 53.23 H new ATOM 0 HA VAL A 36 -3.719 25.676 -22.311 1.00 65.01 H new ATOM 0 HB VAL A 36 -5.596 24.812 -23.819 1.00 21.13 H new ATOM 0 HG11 VAL A 36 -4.341 25.251 -25.890 1.00 11.33 H new ATOM 0 HG12 VAL A 36 -3.917 26.404 -24.602 1.00 11.33 H new ATOM 0 HG13 VAL A 36 -2.812 25.066 -24.998 1.00 11.33 H new ATOM 0 HG21 VAL A 36 -5.030 22.947 -25.325 1.00 12.13 H new ATOM 0 HG22 VAL A 36 -3.530 22.668 -24.409 1.00 12.13 H new ATOM 0 HG23 VAL A 36 -5.109 22.423 -23.626 1.00 12.13 H new ATOM 561 N GLU A 37 -4.910 22.726 -21.391 1.00 51.02 N ATOM 562 CA GLU A 37 -5.769 22.058 -20.421 1.00 31.32 C ATOM 563 C GLU A 37 -5.070 21.934 -19.070 1.00 71.50 C ATOM 564 O GLU A 37 -5.579 22.401 -18.051 1.00 25.33 O ATOM 565 CB GLU A 37 -6.169 20.671 -20.930 1.00 1.31 C ATOM 566 CG GLU A 37 -6.860 20.696 -22.283 1.00 34.33 C ATOM 567 CD GLU A 37 -8.153 21.489 -22.263 1.00 45.02 C ATOM 568 OE1 GLU A 37 -8.085 22.729 -22.133 1.00 5.32 O ATOM 569 OE2 GLU A 37 -9.231 20.870 -22.378 1.00 10.32 O ATOM 0 H GLU A 37 -4.390 22.094 -22.000 1.00 51.02 H new ATOM 0 HA GLU A 37 -6.667 22.662 -20.292 1.00 31.32 H new ATOM 0 HB2 GLU A 37 -5.278 20.047 -20.998 1.00 1.31 H new ATOM 0 HB3 GLU A 37 -6.831 20.203 -20.202 1.00 1.31 H new ATOM 0 HG2 GLU A 37 -6.186 21.126 -23.023 1.00 34.33 H new ATOM 0 HG3 GLU A 37 -7.070 19.674 -22.599 1.00 34.33 H new ATOM 576 N ASP A 38 -3.902 21.300 -19.071 1.00 54.30 N ATOM 577 CA ASP A 38 -3.132 21.114 -17.847 1.00 14.34 C ATOM 578 C ASP A 38 -2.751 22.459 -17.235 1.00 34.22 C ATOM 579 O ASP A 38 -3.101 22.754 -16.091 1.00 53.12 O ATOM 580 CB ASP A 38 -1.873 20.294 -18.130 1.00 71.04 C ATOM 581 CG ASP A 38 -1.104 19.958 -16.868 1.00 35.43 C ATOM 582 OD1 ASP A 38 -0.598 20.894 -16.215 1.00 22.30 O ATOM 583 OD2 ASP A 38 -1.009 18.758 -16.533 1.00 2.14 O ATOM 0 H ASP A 38 -3.468 20.906 -19.906 1.00 54.30 H new ATOM 0 HA ASP A 38 -3.755 20.574 -17.134 1.00 14.34 H new ATOM 0 HB2 ASP A 38 -2.151 19.371 -18.639 1.00 71.04 H new ATOM 0 HB3 ASP A 38 -1.226 20.850 -18.809 1.00 71.04 H new ATOM 588 N LEU A 39 -2.032 23.270 -18.003 1.00 30.24 N ATOM 589 CA LEU A 39 -1.602 24.583 -17.536 1.00 51.40 C ATOM 590 C LEU A 39 -2.655 25.643 -17.846 1.00 63.22 C ATOM 591 O LEU A 39 -3.694 25.346 -18.433 1.00 34.42 O ATOM 592 CB LEU A 39 -0.270 24.966 -18.184 1.00 75.04 C ATOM 593 CG LEU A 39 0.983 24.699 -17.351 1.00 2.24 C ATOM 594 CD1 LEU A 39 1.004 23.258 -16.864 1.00 43.44 C ATOM 595 CD2 LEU A 39 2.236 25.010 -18.156 1.00 51.45 C ATOM 0 H LEU A 39 -1.735 23.041 -18.952 1.00 30.24 H new ATOM 0 HA LEU A 39 -1.472 24.532 -16.455 1.00 51.40 H new ATOM 0 HB2 LEU A 39 -0.178 24.425 -19.126 1.00 75.04 H new ATOM 0 HB3 LEU A 39 -0.300 26.028 -18.428 1.00 75.04 H new ATOM 0 HG LEU A 39 0.963 25.355 -16.481 1.00 2.24 H new ATOM 0 HD11 LEU A 39 1.904 23.087 -16.273 1.00 43.44 H new ATOM 0 HD12 LEU A 39 0.124 23.069 -16.249 1.00 43.44 H new ATOM 0 HD13 LEU A 39 0.999 22.584 -17.721 1.00 43.44 H new ATOM 0 HD21 LEU A 39 3.118 24.814 -17.546 1.00 51.45 H new ATOM 0 HD22 LEU A 39 2.262 24.381 -19.046 1.00 51.45 H new ATOM 0 HD23 LEU A 39 2.226 26.059 -18.454 1.00 51.45 H new ATOM 607 N ASN A 40 -2.376 26.880 -17.450 1.00 0.41 N ATOM 608 CA ASN A 40 -3.298 27.985 -17.687 1.00 73.12 C ATOM 609 C ASN A 40 -2.699 28.994 -18.662 1.00 75.24 C ATOM 610 O ASN A 40 -2.635 30.188 -18.374 1.00 2.31 O ATOM 611 CB ASN A 40 -3.646 28.678 -16.368 1.00 55.34 C ATOM 612 CG ASN A 40 -4.866 29.572 -16.489 1.00 61.33 C ATOM 613 OD1 ASN A 40 -5.645 29.453 -17.435 1.00 61.11 O ATOM 614 ND2 ASN A 40 -5.036 30.473 -15.529 1.00 33.10 N ATOM 0 H ASN A 40 -1.519 27.143 -16.963 1.00 0.41 H new ATOM 0 HA ASN A 40 -4.208 27.578 -18.127 1.00 73.12 H new ATOM 0 HB2 ASN A 40 -3.826 27.925 -15.601 1.00 55.34 H new ATOM 0 HB3 ASN A 40 -2.794 29.273 -16.037 1.00 55.34 H new ATOM 0 HD21 ASN A 40 -5.838 31.103 -15.557 1.00 33.10 H new ATOM 0 HD22 ASN A 40 -4.365 30.536 -14.764 1.00 33.10 H new ATOM 621 N ALA A 41 -2.263 28.504 -19.818 1.00 53.13 N ATOM 622 CA ALA A 41 -1.672 29.363 -20.837 1.00 73.54 C ATOM 623 C ALA A 41 -1.386 28.581 -22.115 1.00 74.02 C ATOM 624 O ALA A 41 -1.685 27.390 -22.206 1.00 15.21 O ATOM 625 CB ALA A 41 -0.397 30.004 -20.312 1.00 64.01 C ATOM 0 H ALA A 41 -2.308 27.517 -20.072 1.00 53.13 H new ATOM 0 HA ALA A 41 -2.389 30.149 -21.075 1.00 73.54 H new ATOM 0 HB1 ALA A 41 0.033 30.643 -21.083 1.00 64.01 H new ATOM 0 HB2 ALA A 41 -0.627 30.604 -19.431 1.00 64.01 H new ATOM 0 HB3 ALA A 41 0.318 29.226 -20.045 1.00 64.01 H new ATOM 631 N ASP A 42 -0.807 29.258 -23.100 1.00 40.31 N ATOM 632 CA ASP A 42 -0.480 28.627 -24.373 1.00 73.14 C ATOM 633 C ASP A 42 1.023 28.399 -24.497 1.00 71.30 C ATOM 634 O ASP A 42 1.813 28.992 -23.763 1.00 43.01 O ATOM 635 CB ASP A 42 -0.975 29.489 -25.536 1.00 73.51 C ATOM 636 CG ASP A 42 -2.221 28.921 -26.188 1.00 64.23 C ATOM 637 OD1 ASP A 42 -3.248 28.788 -25.491 1.00 20.54 O ATOM 638 OD2 ASP A 42 -2.168 28.611 -27.397 1.00 31.34 O ATOM 0 H ASP A 42 -0.554 30.244 -23.041 1.00 40.31 H new ATOM 0 HA ASP A 42 -0.980 27.659 -24.409 1.00 73.14 H new ATOM 0 HB2 ASP A 42 -1.184 30.496 -25.175 1.00 73.51 H new ATOM 0 HB3 ASP A 42 -0.185 29.576 -26.282 1.00 73.51 H new ATOM 643 N SER A 43 1.411 27.534 -25.429 1.00 55.45 N ATOM 644 CA SER A 43 2.819 27.224 -25.646 1.00 33.10 C ATOM 645 C SER A 43 3.640 28.501 -25.797 1.00 74.02 C ATOM 646 O SER A 43 4.838 28.520 -25.512 1.00 13.54 O ATOM 647 CB SER A 43 2.984 26.347 -26.889 1.00 3.50 C ATOM 648 OG SER A 43 2.570 27.035 -28.057 1.00 10.13 O ATOM 0 H SER A 43 0.770 27.035 -26.046 1.00 55.45 H new ATOM 0 HA SER A 43 3.184 26.680 -24.775 1.00 33.10 H new ATOM 0 HB2 SER A 43 4.027 26.047 -26.990 1.00 3.50 H new ATOM 0 HB3 SER A 43 2.399 25.434 -26.774 1.00 3.50 H new ATOM 0 HG SER A 43 2.687 26.454 -28.838 1.00 10.13 H new ATOM 654 N LEU A 44 2.987 29.566 -26.248 1.00 53.23 N ATOM 655 CA LEU A 44 3.655 30.849 -26.438 1.00 55.22 C ATOM 656 C LEU A 44 4.423 31.254 -25.184 1.00 64.25 C ATOM 657 O LEU A 44 5.601 31.606 -25.253 1.00 21.30 O ATOM 658 CB LEU A 44 2.633 31.930 -26.795 1.00 11.41 C ATOM 659 CG LEU A 44 1.408 32.023 -25.885 1.00 33.33 C ATOM 660 CD1 LEU A 44 1.576 33.148 -24.875 1.00 61.34 C ATOM 661 CD2 LEU A 44 0.145 32.228 -26.709 1.00 62.21 C ATOM 0 H LEU A 44 1.996 29.567 -26.489 1.00 53.23 H new ATOM 0 HA LEU A 44 4.365 30.743 -27.258 1.00 55.22 H new ATOM 0 HB2 LEU A 44 3.139 32.896 -26.790 1.00 11.41 H new ATOM 0 HB3 LEU A 44 2.290 31.755 -27.815 1.00 11.41 H new ATOM 0 HG LEU A 44 1.314 31.084 -25.339 1.00 33.33 H new ATOM 0 HD11 LEU A 44 0.694 33.198 -24.236 1.00 61.34 H new ATOM 0 HD12 LEU A 44 2.457 32.958 -24.262 1.00 61.34 H new ATOM 0 HD13 LEU A 44 1.697 34.095 -25.402 1.00 61.34 H new ATOM 0 HD21 LEU A 44 -0.717 32.292 -26.044 1.00 62.21 H new ATOM 0 HD22 LEU A 44 0.230 33.151 -27.282 1.00 62.21 H new ATOM 0 HD23 LEU A 44 0.015 31.388 -27.391 1.00 62.21 H new ATOM 673 N ASP A 45 3.750 31.199 -24.041 1.00 1.23 N ATOM 674 CA ASP A 45 4.371 31.557 -22.770 1.00 73.33 C ATOM 675 C ASP A 45 5.212 30.403 -22.233 1.00 15.04 C ATOM 676 O ASP A 45 6.111 30.606 -21.416 1.00 34.41 O ATOM 677 CB ASP A 45 3.302 31.945 -21.748 1.00 12.14 C ATOM 678 CG ASP A 45 3.889 32.253 -20.384 1.00 65.34 C ATOM 679 OD1 ASP A 45 4.278 33.417 -20.155 1.00 4.15 O ATOM 680 OD2 ASP A 45 3.960 31.329 -19.547 1.00 13.20 O ATOM 0 H ASP A 45 2.775 30.910 -23.967 1.00 1.23 H new ATOM 0 HA ASP A 45 5.026 32.411 -22.941 1.00 73.33 H new ATOM 0 HB2 ASP A 45 2.756 32.816 -22.110 1.00 12.14 H new ATOM 0 HB3 ASP A 45 2.581 31.133 -21.655 1.00 12.14 H new ATOM 685 N ILE A 46 4.912 29.194 -22.695 1.00 64.10 N ATOM 686 CA ILE A 46 5.641 28.009 -22.260 1.00 72.54 C ATOM 687 C ILE A 46 7.037 27.966 -22.873 1.00 75.40 C ATOM 688 O ILE A 46 7.950 27.354 -22.319 1.00 44.02 O ATOM 689 CB ILE A 46 4.889 26.717 -22.633 1.00 53.33 C ATOM 690 CG1 ILE A 46 3.459 26.759 -22.090 1.00 22.45 C ATOM 691 CG2 ILE A 46 5.629 25.500 -22.100 1.00 2.13 C ATOM 692 CD1 ILE A 46 3.386 26.731 -20.579 1.00 23.51 C ATOM 0 H ILE A 46 4.170 29.009 -23.370 1.00 64.10 H new ATOM 0 HA ILE A 46 5.725 28.071 -21.175 1.00 72.54 H new ATOM 0 HB ILE A 46 4.843 26.642 -23.719 1.00 53.33 H new ATOM 0 HG12 ILE A 46 2.967 27.662 -22.453 1.00 22.45 H new ATOM 0 HG13 ILE A 46 2.902 25.911 -22.489 1.00 22.45 H new ATOM 0 HG21 ILE A 46 5.085 24.595 -22.372 1.00 2.13 H new ATOM 0 HG22 ILE A 46 6.630 25.465 -22.531 1.00 2.13 H new ATOM 0 HG23 ILE A 46 5.704 25.566 -21.015 1.00 2.13 H new ATOM 0 HD11 ILE A 46 2.343 26.763 -20.264 1.00 23.51 H new ATOM 0 HD12 ILE A 46 3.848 25.816 -20.209 1.00 23.51 H new ATOM 0 HD13 ILE A 46 3.914 27.594 -20.173 1.00 23.51 H new ATOM 704 N TYR A 47 7.194 28.620 -24.018 1.00 42.11 N ATOM 705 CA TYR A 47 8.479 28.656 -24.707 1.00 53.50 C ATOM 706 C TYR A 47 9.602 29.030 -23.745 1.00 64.10 C ATOM 707 O TYR A 47 10.631 28.358 -23.685 1.00 63.33 O ATOM 708 CB TYR A 47 8.432 29.654 -25.866 1.00 34.03 C ATOM 709 CG TYR A 47 9.771 29.872 -26.532 1.00 23.20 C ATOM 710 CD1 TYR A 47 10.646 30.850 -26.075 1.00 71.12 C ATOM 711 CD2 TYR A 47 10.163 29.098 -27.618 1.00 52.40 C ATOM 712 CE1 TYR A 47 11.870 31.053 -26.682 1.00 24.35 C ATOM 713 CE2 TYR A 47 11.386 29.293 -28.230 1.00 2.33 C ATOM 714 CZ TYR A 47 12.236 30.272 -27.758 1.00 61.11 C ATOM 715 OH TYR A 47 13.456 30.470 -28.364 1.00 33.21 O ATOM 0 H TYR A 47 6.448 29.132 -24.489 1.00 42.11 H new ATOM 0 HA TYR A 47 8.679 27.660 -25.102 1.00 53.50 H new ATOM 0 HB2 TYR A 47 7.719 29.300 -26.610 1.00 34.03 H new ATOM 0 HB3 TYR A 47 8.060 30.610 -25.497 1.00 34.03 H new ATOM 0 HD1 TYR A 47 10.364 31.462 -25.231 1.00 71.12 H new ATOM 0 HD2 TYR A 47 9.500 28.331 -27.990 1.00 52.40 H new ATOM 0 HE1 TYR A 47 12.537 31.819 -26.316 1.00 24.35 H new ATOM 0 HE2 TYR A 47 11.675 28.683 -29.073 1.00 2.33 H new ATOM 0 HH TYR A 47 13.560 29.837 -29.105 1.00 33.21 H new ATOM 725 N GLU A 48 9.396 30.107 -22.994 1.00 32.14 N ATOM 726 CA GLU A 48 10.391 30.570 -22.034 1.00 43.51 C ATOM 727 C GLU A 48 10.441 29.653 -20.816 1.00 11.35 C ATOM 728 O GLU A 48 11.507 29.417 -20.245 1.00 14.22 O ATOM 729 CB GLU A 48 10.081 32.003 -21.595 1.00 52.15 C ATOM 730 CG GLU A 48 10.279 33.033 -22.695 1.00 71.21 C ATOM 731 CD GLU A 48 9.020 33.270 -23.506 1.00 15.34 C ATOM 732 OE1 GLU A 48 7.916 33.159 -22.932 1.00 13.22 O ATOM 733 OE2 GLU A 48 9.137 33.567 -24.713 1.00 22.22 O ATOM 0 H GLU A 48 8.550 30.675 -23.032 1.00 32.14 H new ATOM 0 HA GLU A 48 11.365 30.550 -22.522 1.00 43.51 H new ATOM 0 HB2 GLU A 48 9.050 32.052 -21.245 1.00 52.15 H new ATOM 0 HB3 GLU A 48 10.718 32.261 -20.749 1.00 52.15 H new ATOM 0 HG2 GLU A 48 10.604 33.974 -22.252 1.00 71.21 H new ATOM 0 HG3 GLU A 48 11.077 32.701 -23.359 1.00 71.21 H new ATOM 740 N LEU A 49 9.281 29.139 -20.422 1.00 11.31 N ATOM 741 CA LEU A 49 9.190 28.248 -19.271 1.00 23.04 C ATOM 742 C LEU A 49 10.196 27.107 -19.385 1.00 71.20 C ATOM 743 O LEU A 49 11.070 26.947 -18.532 1.00 42.51 O ATOM 744 CB LEU A 49 7.774 27.684 -19.147 1.00 54.24 C ATOM 745 CG LEU A 49 7.543 26.693 -18.007 1.00 33.53 C ATOM 746 CD1 LEU A 49 7.959 27.302 -16.677 1.00 62.01 C ATOM 747 CD2 LEU A 49 6.085 26.259 -17.963 1.00 55.45 C ATOM 0 H LEU A 49 8.390 29.324 -20.883 1.00 11.31 H new ATOM 0 HA LEU A 49 9.423 28.826 -18.377 1.00 23.04 H new ATOM 0 HB2 LEU A 49 7.082 28.517 -19.023 1.00 54.24 H new ATOM 0 HB3 LEU A 49 7.517 27.193 -20.086 1.00 54.24 H new ATOM 0 HG LEU A 49 8.158 25.812 -18.189 1.00 33.53 H new ATOM 0 HD11 LEU A 49 7.787 26.582 -15.877 1.00 62.01 H new ATOM 0 HD12 LEU A 49 9.017 27.561 -16.711 1.00 62.01 H new ATOM 0 HD13 LEU A 49 7.371 28.200 -16.488 1.00 62.01 H new ATOM 0 HD21 LEU A 49 5.940 25.553 -17.145 1.00 55.45 H new ATOM 0 HD22 LEU A 49 5.450 27.131 -17.807 1.00 55.45 H new ATOM 0 HD23 LEU A 49 5.819 25.781 -18.906 1.00 55.45 H new ATOM 759 N LEU A 50 10.068 26.316 -20.445 1.00 15.31 N ATOM 760 CA LEU A 50 10.967 25.190 -20.673 1.00 14.40 C ATOM 761 C LEU A 50 12.373 25.676 -21.008 1.00 62.03 C ATOM 762 O LEU A 50 13.362 25.143 -20.504 1.00 33.21 O ATOM 763 CB LEU A 50 10.436 24.309 -21.805 1.00 55.41 C ATOM 764 CG LEU A 50 9.954 25.043 -23.057 1.00 43.23 C ATOM 765 CD1 LEU A 50 10.828 24.691 -24.251 1.00 41.12 C ATOM 766 CD2 LEU A 50 8.497 24.710 -23.344 1.00 3.33 C ATOM 0 H LEU A 50 9.350 26.434 -21.160 1.00 15.31 H new ATOM 0 HA LEU A 50 11.014 24.603 -19.756 1.00 14.40 H new ATOM 0 HB2 LEU A 50 11.223 23.613 -22.096 1.00 55.41 H new ATOM 0 HB3 LEU A 50 9.610 23.712 -21.417 1.00 55.41 H new ATOM 0 HG LEU A 50 10.032 26.115 -22.878 1.00 43.23 H new ATOM 0 HD11 LEU A 50 10.470 25.222 -25.133 1.00 41.12 H new ATOM 0 HD12 LEU A 50 11.858 24.981 -24.046 1.00 41.12 H new ATOM 0 HD13 LEU A 50 10.782 23.617 -24.431 1.00 41.12 H new ATOM 0 HD21 LEU A 50 8.172 25.241 -24.238 1.00 3.33 H new ATOM 0 HD22 LEU A 50 8.393 23.636 -23.502 1.00 3.33 H new ATOM 0 HD23 LEU A 50 7.881 25.013 -22.498 1.00 3.33 H new ATOM 778 N TYR A 51 12.455 26.692 -21.861 1.00 21.54 N ATOM 779 CA TYR A 51 13.741 27.249 -22.264 1.00 14.35 C ATOM 780 C TYR A 51 14.589 27.598 -21.045 1.00 3.24 C ATOM 781 O TYR A 51 15.787 27.311 -21.004 1.00 15.51 O ATOM 782 CB TYR A 51 13.532 28.495 -23.127 1.00 31.32 C ATOM 783 CG TYR A 51 14.773 29.345 -23.273 1.00 3.55 C ATOM 784 CD1 TYR A 51 16.007 28.768 -23.548 1.00 75.25 C ATOM 785 CD2 TYR A 51 14.713 30.727 -23.133 1.00 64.54 C ATOM 786 CE1 TYR A 51 17.144 29.541 -23.682 1.00 33.11 C ATOM 787 CE2 TYR A 51 15.845 31.508 -23.267 1.00 30.44 C ATOM 788 CZ TYR A 51 17.058 30.910 -23.541 1.00 14.24 C ATOM 789 OH TYR A 51 18.187 31.685 -23.673 1.00 24.35 O ATOM 0 H TYR A 51 11.647 27.146 -22.286 1.00 21.54 H new ATOM 0 HA TYR A 51 14.269 26.495 -22.848 1.00 14.35 H new ATOM 0 HB2 TYR A 51 13.193 28.189 -24.117 1.00 31.32 H new ATOM 0 HB3 TYR A 51 12.737 29.100 -22.691 1.00 31.32 H new ATOM 0 HD1 TYR A 51 16.078 27.696 -23.659 1.00 75.25 H new ATOM 0 HD2 TYR A 51 13.766 31.198 -22.916 1.00 64.54 H new ATOM 0 HE1 TYR A 51 18.095 29.076 -23.896 1.00 33.11 H new ATOM 0 HE2 TYR A 51 15.781 32.581 -23.158 1.00 30.44 H new ATOM 0 HH TYR A 51 17.953 32.628 -23.546 1.00 24.35 H new ATOM 799 N LEU A 52 13.960 28.218 -20.052 1.00 44.22 N ATOM 800 CA LEU A 52 14.656 28.607 -18.830 1.00 71.41 C ATOM 801 C LEU A 52 14.871 27.402 -17.919 1.00 73.05 C ATOM 802 O LEU A 52 15.815 27.368 -17.129 1.00 60.03 O ATOM 803 CB LEU A 52 13.863 29.685 -18.090 1.00 2.14 C ATOM 804 CG LEU A 52 14.240 31.133 -18.408 1.00 20.53 C ATOM 805 CD1 LEU A 52 13.940 31.455 -19.863 1.00 74.22 C ATOM 806 CD2 LEU A 52 13.502 32.091 -17.484 1.00 64.01 C ATOM 0 H LEU A 52 12.970 28.462 -20.069 1.00 44.22 H new ATOM 0 HA LEU A 52 15.631 29.008 -19.108 1.00 71.41 H new ATOM 0 HB2 LEU A 52 12.805 29.548 -18.315 1.00 2.14 H new ATOM 0 HB3 LEU A 52 13.984 29.526 -17.019 1.00 2.14 H new ATOM 0 HG LEU A 52 15.311 31.254 -18.244 1.00 20.53 H new ATOM 0 HD11 LEU A 52 14.215 32.489 -20.071 1.00 74.22 H new ATOM 0 HD12 LEU A 52 14.514 30.790 -20.509 1.00 74.22 H new ATOM 0 HD13 LEU A 52 12.876 31.317 -20.054 1.00 74.22 H new ATOM 0 HD21 LEU A 52 13.782 33.117 -17.724 1.00 64.01 H new ATOM 0 HD22 LEU A 52 12.427 31.968 -17.616 1.00 64.01 H new ATOM 0 HD23 LEU A 52 13.768 31.875 -16.449 1.00 64.01 H new ATOM 818 N LEU A 53 13.990 26.414 -18.037 1.00 3.14 N ATOM 819 CA LEU A 53 14.084 25.205 -17.225 1.00 45.25 C ATOM 820 C LEU A 53 15.336 24.409 -17.579 1.00 24.43 C ATOM 821 O LEU A 53 16.128 24.060 -16.704 1.00 24.10 O ATOM 822 CB LEU A 53 12.841 24.337 -17.423 1.00 31.30 C ATOM 823 CG LEU A 53 11.873 24.271 -16.241 1.00 1.41 C ATOM 824 CD1 LEU A 53 11.542 25.670 -15.744 1.00 42.11 C ATOM 825 CD2 LEU A 53 10.604 23.528 -16.631 1.00 60.11 C ATOM 0 H LEU A 53 13.203 26.426 -18.686 1.00 3.14 H new ATOM 0 HA LEU A 53 14.148 25.503 -16.178 1.00 45.25 H new ATOM 0 HB2 LEU A 53 12.297 24.709 -18.292 1.00 31.30 H new ATOM 0 HB3 LEU A 53 13.164 23.323 -17.659 1.00 31.30 H new ATOM 0 HG LEU A 53 12.356 23.724 -15.431 1.00 1.41 H new ATOM 0 HD11 LEU A 53 10.852 25.604 -14.903 1.00 42.11 H new ATOM 0 HD12 LEU A 53 12.457 26.169 -15.424 1.00 42.11 H new ATOM 0 HD13 LEU A 53 11.079 26.242 -16.548 1.00 42.11 H new ATOM 0 HD21 LEU A 53 9.927 23.491 -15.777 1.00 60.11 H new ATOM 0 HD22 LEU A 53 10.118 24.047 -17.457 1.00 60.11 H new ATOM 0 HD23 LEU A 53 10.856 22.513 -16.938 1.00 60.11 H new ATOM 837 N GLU A 54 15.508 24.126 -18.866 1.00 44.43 N ATOM 838 CA GLU A 54 16.665 23.372 -19.334 1.00 43.24 C ATOM 839 C GLU A 54 17.962 24.111 -19.015 1.00 32.30 C ATOM 840 O GLU A 54 18.988 23.491 -18.738 1.00 2.33 O ATOM 841 CB GLU A 54 16.565 23.124 -20.841 1.00 13.10 C ATOM 842 CG GLU A 54 16.325 24.387 -21.651 1.00 44.01 C ATOM 843 CD GLU A 54 17.609 25.130 -21.966 1.00 1.21 C ATOM 844 OE1 GLU A 54 18.692 24.626 -21.601 1.00 52.32 O ATOM 845 OE2 GLU A 54 17.530 26.216 -22.578 1.00 4.34 O ATOM 0 H GLU A 54 14.861 24.407 -19.603 1.00 44.43 H new ATOM 0 HA GLU A 54 16.675 22.414 -18.815 1.00 43.24 H new ATOM 0 HB2 GLU A 54 17.485 22.651 -21.185 1.00 13.10 H new ATOM 0 HB3 GLU A 54 15.755 22.420 -21.032 1.00 13.10 H new ATOM 0 HG2 GLU A 54 15.822 24.127 -22.582 1.00 44.01 H new ATOM 0 HG3 GLU A 54 15.654 25.046 -21.100 1.00 44.01 H new ATOM 852 N GLU A 55 17.906 25.438 -19.057 1.00 14.30 N ATOM 853 CA GLU A 55 19.076 26.261 -18.773 1.00 53.15 C ATOM 854 C GLU A 55 19.526 26.086 -17.326 1.00 1.00 C ATOM 855 O GLU A 55 20.669 26.384 -16.980 1.00 71.22 O ATOM 856 CB GLU A 55 18.769 27.735 -19.049 1.00 64.42 C ATOM 857 CG GLU A 55 19.961 28.654 -18.837 1.00 74.24 C ATOM 858 CD GLU A 55 19.845 29.948 -19.619 1.00 0.10 C ATOM 859 OE1 GLU A 55 18.990 30.784 -19.258 1.00 2.01 O ATOM 860 OE2 GLU A 55 20.608 30.125 -20.591 1.00 44.10 O ATOM 0 H GLU A 55 17.064 25.966 -19.285 1.00 14.30 H new ATOM 0 HA GLU A 55 19.885 25.937 -19.428 1.00 53.15 H new ATOM 0 HB2 GLU A 55 18.419 27.839 -20.076 1.00 64.42 H new ATOM 0 HB3 GLU A 55 17.954 28.055 -18.400 1.00 64.42 H new ATOM 0 HG2 GLU A 55 20.055 28.882 -17.775 1.00 74.24 H new ATOM 0 HG3 GLU A 55 20.873 28.135 -19.133 1.00 74.24 H new ATOM 867 N ALA A 56 18.619 25.601 -16.485 1.00 14.44 N ATOM 868 CA ALA A 56 18.922 25.385 -15.075 1.00 51.14 C ATOM 869 C ALA A 56 19.454 23.976 -14.838 1.00 71.24 C ATOM 870 O ALA A 56 20.111 23.711 -13.831 1.00 72.44 O ATOM 871 CB ALA A 56 17.685 25.634 -14.225 1.00 41.51 C ATOM 0 H ALA A 56 17.668 25.350 -16.755 1.00 14.44 H new ATOM 0 HA ALA A 56 19.698 26.092 -14.783 1.00 51.14 H new ATOM 0 HB1 ALA A 56 17.926 25.469 -13.175 1.00 41.51 H new ATOM 0 HB2 ALA A 56 17.349 26.662 -14.363 1.00 41.51 H new ATOM 0 HB3 ALA A 56 16.892 24.950 -14.527 1.00 41.51 H new ATOM 877 N PHE A 57 19.166 23.075 -15.772 1.00 35.24 N ATOM 878 CA PHE A 57 19.614 21.691 -15.663 1.00 12.30 C ATOM 879 C PHE A 57 20.699 21.389 -16.692 1.00 74.35 C ATOM 880 O PHE A 57 21.123 20.243 -16.844 1.00 44.21 O ATOM 881 CB PHE A 57 18.435 20.735 -15.852 1.00 33.43 C ATOM 882 CG PHE A 57 17.192 21.164 -15.125 1.00 23.31 C ATOM 883 CD1 PHE A 57 17.263 21.633 -13.823 1.00 54.42 C ATOM 884 CD2 PHE A 57 15.954 21.098 -15.743 1.00 62.04 C ATOM 885 CE1 PHE A 57 16.121 22.028 -13.152 1.00 12.10 C ATOM 886 CE2 PHE A 57 14.809 21.492 -15.077 1.00 71.33 C ATOM 887 CZ PHE A 57 14.893 21.958 -13.780 1.00 54.41 C ATOM 0 H PHE A 57 18.625 23.278 -16.612 1.00 35.24 H new ATOM 0 HA PHE A 57 20.032 21.547 -14.667 1.00 12.30 H new ATOM 0 HB2 PHE A 57 18.213 20.651 -16.916 1.00 33.43 H new ATOM 0 HB3 PHE A 57 18.724 19.742 -15.507 1.00 33.43 H new ATOM 0 HD1 PHE A 57 18.221 21.690 -13.327 1.00 54.42 H new ATOM 0 HD2 PHE A 57 15.883 20.734 -16.757 1.00 62.04 H new ATOM 0 HE1 PHE A 57 16.189 22.391 -12.137 1.00 12.10 H new ATOM 0 HE2 PHE A 57 13.850 21.435 -15.570 1.00 71.33 H new ATOM 0 HZ PHE A 57 14.000 22.267 -13.257 1.00 54.41 H new ATOM 897 N ASP A 58 21.142 22.424 -17.397 1.00 72.35 N ATOM 898 CA ASP A 58 22.177 22.270 -18.413 1.00 3.23 C ATOM 899 C ASP A 58 21.825 21.147 -19.383 1.00 54.32 C ATOM 900 O ASP A 58 22.369 20.046 -19.298 1.00 53.22 O ATOM 901 CB ASP A 58 23.529 21.987 -17.755 1.00 34.33 C ATOM 902 CG ASP A 58 23.850 22.970 -16.646 1.00 64.24 C ATOM 903 OD1 ASP A 58 23.344 24.110 -16.699 1.00 75.43 O ATOM 904 OD2 ASP A 58 24.610 22.600 -15.726 1.00 71.45 O ATOM 0 H ASP A 58 20.801 23.379 -17.284 1.00 72.35 H new ATOM 0 HA ASP A 58 22.242 23.202 -18.974 1.00 3.23 H new ATOM 0 HB2 ASP A 58 23.528 20.975 -17.350 1.00 34.33 H new ATOM 0 HB3 ASP A 58 24.313 22.028 -18.511 1.00 34.33 H new ATOM 909 N ASP A 59 20.910 21.433 -20.304 1.00 5.34 N ATOM 910 CA ASP A 59 20.485 20.448 -21.291 1.00 33.35 C ATOM 911 C ASP A 59 19.729 21.116 -22.435 1.00 63.01 C ATOM 912 O ASP A 59 19.387 22.297 -22.362 1.00 65.42 O ATOM 913 CB ASP A 59 19.603 19.384 -20.633 1.00 43.44 C ATOM 914 CG ASP A 59 20.334 18.072 -20.429 1.00 3.13 C ATOM 915 OD1 ASP A 59 21.084 17.663 -21.340 1.00 34.54 O ATOM 916 OD2 ASP A 59 20.156 17.454 -19.358 1.00 4.21 O ATOM 0 H ASP A 59 20.449 22.339 -20.387 1.00 5.34 H new ATOM 0 HA ASP A 59 21.376 19.970 -21.699 1.00 33.35 H new ATOM 0 HB2 ASP A 59 19.250 19.753 -19.670 1.00 43.44 H new ATOM 0 HB3 ASP A 59 18.722 19.213 -21.251 1.00 43.44 H new ATOM 921 N LYS A 60 19.473 20.354 -23.493 1.00 35.45 N ATOM 922 CA LYS A 60 18.758 20.870 -24.653 1.00 54.45 C ATOM 923 C LYS A 60 17.333 20.326 -24.702 1.00 4.31 C ATOM 924 O LYS A 60 17.118 19.117 -24.614 1.00 52.20 O ATOM 925 CB LYS A 60 19.499 20.502 -25.940 1.00 44.44 C ATOM 926 CG LYS A 60 20.692 21.397 -26.232 1.00 72.11 C ATOM 927 CD LYS A 60 21.635 20.759 -27.238 1.00 72.42 C ATOM 928 CE LYS A 60 22.537 19.727 -26.579 1.00 63.45 C ATOM 929 NZ LYS A 60 22.968 18.673 -27.540 1.00 31.14 N ATOM 0 H LYS A 60 19.751 19.376 -23.570 1.00 35.45 H new ATOM 0 HA LYS A 60 18.711 21.955 -24.565 1.00 54.45 H new ATOM 0 HB2 LYS A 60 19.839 19.469 -25.871 1.00 44.44 H new ATOM 0 HB3 LYS A 60 18.803 20.553 -26.777 1.00 44.44 H new ATOM 0 HG2 LYS A 60 20.343 22.356 -26.616 1.00 72.11 H new ATOM 0 HG3 LYS A 60 21.230 21.601 -25.306 1.00 72.11 H new ATOM 0 HD2 LYS A 60 21.056 20.285 -28.031 1.00 72.42 H new ATOM 0 HD3 LYS A 60 22.245 21.531 -27.707 1.00 72.42 H new ATOM 0 HE2 LYS A 60 23.415 20.223 -26.166 1.00 63.45 H new ATOM 0 HE3 LYS A 60 22.010 19.264 -25.744 1.00 63.45 H new ATOM 0 HZ1 LYS A 60 23.962 18.424 -27.360 1.00 31.14 H new ATOM 0 HZ2 LYS A 60 22.372 17.829 -27.420 1.00 31.14 H new ATOM 0 HZ3 LYS A 60 22.871 19.029 -28.512 1.00 31.14 H new ATOM 943 N ILE A 61 16.366 21.226 -24.843 1.00 72.15 N ATOM 944 CA ILE A 61 14.963 20.835 -24.906 1.00 60.23 C ATOM 945 C ILE A 61 14.636 20.175 -26.241 1.00 54.04 C ATOM 946 O ILE A 61 14.174 19.035 -26.302 1.00 52.33 O ATOM 947 CB ILE A 61 14.032 22.044 -24.702 1.00 53.30 C ATOM 948 CG1 ILE A 61 13.751 22.253 -23.213 1.00 14.44 C ATOM 949 CG2 ILE A 61 12.733 21.848 -25.469 1.00 52.14 C ATOM 950 CD1 ILE A 61 12.889 21.170 -22.602 1.00 51.15 C ATOM 0 H ILE A 61 16.528 22.230 -24.916 1.00 72.15 H new ATOM 0 HA ILE A 61 14.798 20.120 -24.100 1.00 60.23 H new ATOM 0 HB ILE A 61 14.528 22.935 -25.088 1.00 53.30 H new ATOM 0 HG12 ILE A 61 14.698 22.298 -22.676 1.00 14.44 H new ATOM 0 HG13 ILE A 61 13.261 23.217 -23.076 1.00 14.44 H new ATOM 0 HG21 ILE A 61 12.086 22.711 -25.315 1.00 52.14 H new ATOM 0 HG22 ILE A 61 12.950 21.743 -26.532 1.00 52.14 H new ATOM 0 HG23 ILE A 61 12.231 20.949 -25.111 1.00 52.14 H new ATOM 0 HD11 ILE A 61 12.731 21.384 -21.545 1.00 51.15 H new ATOM 0 HD12 ILE A 61 11.927 21.139 -23.113 1.00 51.15 H new ATOM 0 HD13 ILE A 61 13.387 20.206 -22.707 1.00 51.15 H new ATOM 962 N PRO A 62 14.881 20.906 -27.339 1.00 2.22 N ATOM 963 CA PRO A 62 14.622 20.411 -28.694 1.00 41.41 C ATOM 964 C PRO A 62 15.585 19.301 -29.100 1.00 32.55 C ATOM 965 O PRO A 62 15.446 18.707 -30.168 1.00 63.04 O ATOM 966 CB PRO A 62 14.834 21.649 -29.570 1.00 30.30 C ATOM 967 CG PRO A 62 15.763 22.512 -28.788 1.00 33.01 C ATOM 968 CD PRO A 62 15.431 22.272 -27.341 1.00 2.21 C ATOM 0 HA PRO A 62 13.628 19.972 -28.784 1.00 41.41 H new ATOM 0 HB2 PRO A 62 15.261 21.382 -30.536 1.00 30.30 H new ATOM 0 HB3 PRO A 62 13.892 22.160 -29.768 1.00 30.30 H new ATOM 0 HG2 PRO A 62 16.802 22.257 -28.998 1.00 33.01 H new ATOM 0 HG3 PRO A 62 15.633 23.562 -29.049 1.00 33.01 H new ATOM 0 HD2 PRO A 62 16.315 22.350 -26.708 1.00 2.21 H new ATOM 0 HD3 PRO A 62 14.707 22.997 -26.969 1.00 2.21 H new ATOM 976 N GLU A 63 16.560 19.025 -28.239 1.00 34.14 N ATOM 977 CA GLU A 63 17.545 17.985 -28.509 1.00 61.21 C ATOM 978 C GLU A 63 17.355 16.798 -27.569 1.00 62.32 C ATOM 979 O GLU A 63 17.014 15.698 -28.002 1.00 54.24 O ATOM 980 CB GLU A 63 18.962 18.543 -28.363 1.00 1.51 C ATOM 981 CG GLU A 63 19.947 17.975 -29.370 1.00 44.03 C ATOM 982 CD GLU A 63 19.811 18.609 -30.741 1.00 63.10 C ATOM 983 OE1 GLU A 63 19.772 19.855 -30.818 1.00 71.40 O ATOM 984 OE2 GLU A 63 19.745 17.858 -31.737 1.00 55.41 O ATOM 0 H GLU A 63 16.688 19.507 -27.349 1.00 34.14 H new ATOM 0 HA GLU A 63 17.401 17.642 -29.534 1.00 61.21 H new ATOM 0 HB2 GLU A 63 18.929 19.627 -28.471 1.00 1.51 H new ATOM 0 HB3 GLU A 63 19.324 18.334 -27.356 1.00 1.51 H new ATOM 0 HG2 GLU A 63 20.963 18.125 -29.004 1.00 44.03 H new ATOM 0 HG3 GLU A 63 19.794 16.899 -29.455 1.00 44.03 H new ATOM 991 N ASN A 64 17.580 17.029 -26.280 1.00 1.41 N ATOM 992 CA ASN A 64 17.435 15.980 -25.278 1.00 62.50 C ATOM 993 C ASN A 64 15.966 15.628 -25.068 1.00 33.44 C ATOM 994 O ASN A 64 15.546 14.499 -25.321 1.00 55.34 O ATOM 995 CB ASN A 64 18.060 16.420 -23.953 1.00 44.40 C ATOM 996 CG ASN A 64 18.419 15.246 -23.064 1.00 33.45 C ATOM 997 OD1 ASN A 64 19.488 14.651 -23.203 1.00 34.25 O ATOM 998 ND2 ASN A 64 17.524 14.906 -22.143 1.00 75.45 N ATOM 0 H ASN A 64 17.864 17.934 -25.905 1.00 1.41 H new ATOM 0 HA ASN A 64 17.955 15.093 -25.640 1.00 62.50 H new ATOM 0 HB2 ASN A 64 18.956 17.007 -24.155 1.00 44.40 H new ATOM 0 HB3 ASN A 64 17.364 17.072 -23.425 1.00 44.40 H new ATOM 0 HD21 ASN A 64 17.710 14.124 -21.515 1.00 75.45 H new ATOM 0 HD22 ASN A 64 16.651 15.427 -22.063 1.00 75.45 H new ATOM 1005 N GLU A 65 15.190 16.602 -24.603 1.00 0.13 N ATOM 1006 CA GLU A 65 13.768 16.394 -24.358 1.00 54.42 C ATOM 1007 C GLU A 65 13.065 15.901 -25.620 1.00 20.02 C ATOM 1008 O GLU A 65 12.121 15.115 -25.550 1.00 14.20 O ATOM 1009 CB GLU A 65 13.116 17.691 -23.872 1.00 63.05 C ATOM 1010 CG GLU A 65 12.999 17.784 -22.360 1.00 71.14 C ATOM 1011 CD GLU A 65 14.349 17.866 -21.674 1.00 72.15 C ATOM 1012 OE1 GLU A 65 14.901 18.982 -21.586 1.00 5.43 O ATOM 1013 OE2 GLU A 65 14.852 16.815 -21.227 1.00 24.30 O ATOM 0 H GLU A 65 15.522 17.542 -24.389 1.00 0.13 H new ATOM 0 HA GLU A 65 13.666 15.633 -23.585 1.00 54.42 H new ATOM 0 HB2 GLU A 65 13.697 18.538 -24.236 1.00 63.05 H new ATOM 0 HB3 GLU A 65 12.122 17.775 -24.311 1.00 63.05 H new ATOM 0 HG2 GLU A 65 12.409 18.662 -22.098 1.00 71.14 H new ATOM 0 HG3 GLU A 65 12.458 16.914 -21.987 1.00 71.14 H new ATOM 1020 N ALA A 66 13.533 16.369 -26.772 1.00 64.12 N ATOM 1021 CA ALA A 66 12.952 15.975 -28.049 1.00 70.14 C ATOM 1022 C ALA A 66 13.112 14.477 -28.287 1.00 14.04 C ATOM 1023 O ALA A 66 12.446 13.901 -29.146 1.00 32.24 O ATOM 1024 CB ALA A 66 13.590 16.762 -29.185 1.00 33.13 C ATOM 0 H ALA A 66 14.313 17.022 -26.847 1.00 64.12 H new ATOM 0 HA ALA A 66 11.886 16.200 -28.019 1.00 70.14 H new ATOM 0 HB1 ALA A 66 13.146 16.457 -30.133 1.00 33.13 H new ATOM 0 HB2 ALA A 66 13.419 17.827 -29.030 1.00 33.13 H new ATOM 0 HB3 ALA A 66 14.662 16.566 -29.206 1.00 33.13 H new ATOM 1030 N ASN A 67 13.999 13.852 -27.519 1.00 43.55 N ATOM 1031 CA ASN A 67 14.247 12.421 -27.648 1.00 22.04 C ATOM 1032 C ASN A 67 12.955 11.628 -27.477 1.00 22.22 C ATOM 1033 O ASN A 67 12.800 10.547 -28.043 1.00 62.44 O ATOM 1034 CB ASN A 67 15.279 11.966 -26.613 1.00 14.30 C ATOM 1035 CG ASN A 67 15.818 10.580 -26.906 1.00 24.45 C ATOM 1036 OD1 ASN A 67 15.870 9.723 -26.023 1.00 63.31 O ATOM 1037 ND2 ASN A 67 16.224 10.353 -28.150 1.00 13.04 N ATOM 0 H ASN A 67 14.557 14.314 -26.801 1.00 43.55 H new ATOM 0 HA ASN A 67 14.638 12.233 -28.648 1.00 22.04 H new ATOM 0 HB2 ASN A 67 16.105 12.677 -26.591 1.00 14.30 H new ATOM 0 HB3 ASN A 67 14.824 11.974 -25.622 1.00 14.30 H new ATOM 0 HD21 ASN A 67 16.597 9.439 -28.406 1.00 13.04 H new ATOM 0 HD22 ASN A 67 16.162 11.093 -28.850 1.00 13.04 H new ATOM 1044 N GLU A 68 12.031 12.174 -26.692 1.00 62.14 N ATOM 1045 CA GLU A 68 10.753 11.517 -26.447 1.00 72.42 C ATOM 1046 C GLU A 68 9.714 12.516 -25.946 1.00 43.22 C ATOM 1047 O GLU A 68 8.940 12.220 -25.036 1.00 52.11 O ATOM 1048 CB GLU A 68 10.922 10.387 -25.429 1.00 71.23 C ATOM 1049 CG GLU A 68 9.973 9.221 -25.650 1.00 54.23 C ATOM 1050 CD GLU A 68 10.134 8.589 -27.019 1.00 22.41 C ATOM 1051 OE1 GLU A 68 11.211 8.013 -27.282 1.00 41.55 O ATOM 1052 OE2 GLU A 68 9.185 8.669 -27.826 1.00 71.31 O ATOM 0 H GLU A 68 12.144 13.069 -26.216 1.00 62.14 H new ATOM 0 HA GLU A 68 10.403 11.098 -27.390 1.00 72.42 H new ATOM 0 HB2 GLU A 68 11.948 10.022 -25.471 1.00 71.23 H new ATOM 0 HB3 GLU A 68 10.766 10.786 -24.427 1.00 71.23 H new ATOM 0 HG2 GLU A 68 10.146 8.466 -24.883 1.00 54.23 H new ATOM 0 HG3 GLU A 68 8.946 9.566 -25.532 1.00 54.23 H new ATOM 1059 N PHE A 69 9.705 13.702 -26.547 1.00 30.34 N ATOM 1060 CA PHE A 69 8.763 14.746 -26.161 1.00 45.42 C ATOM 1061 C PHE A 69 7.496 14.675 -27.007 1.00 52.44 C ATOM 1062 O PHE A 69 7.492 14.089 -28.089 1.00 71.21 O ATOM 1063 CB PHE A 69 9.411 16.125 -26.307 1.00 50.11 C ATOM 1064 CG PHE A 69 9.555 16.860 -25.005 1.00 43.43 C ATOM 1065 CD1 PHE A 69 9.823 16.173 -23.832 1.00 51.33 C ATOM 1066 CD2 PHE A 69 9.423 18.239 -24.955 1.00 33.33 C ATOM 1067 CE1 PHE A 69 9.957 16.847 -22.633 1.00 33.12 C ATOM 1068 CE2 PHE A 69 9.556 18.918 -23.758 1.00 71.33 C ATOM 1069 CZ PHE A 69 9.822 18.221 -22.596 1.00 31.13 C ATOM 0 H PHE A 69 10.339 13.963 -27.302 1.00 30.34 H new ATOM 0 HA PHE A 69 8.491 14.588 -25.117 1.00 45.42 H new ATOM 0 HB2 PHE A 69 10.395 16.009 -26.760 1.00 50.11 H new ATOM 0 HB3 PHE A 69 8.814 16.728 -26.991 1.00 50.11 H new ATOM 0 HD1 PHE A 69 9.928 15.098 -23.855 1.00 51.33 H new ATOM 0 HD2 PHE A 69 9.214 18.789 -25.861 1.00 33.33 H new ATOM 0 HE1 PHE A 69 10.167 16.300 -21.726 1.00 33.12 H new ATOM 0 HE2 PHE A 69 9.452 19.993 -23.732 1.00 71.33 H new ATOM 0 HZ PHE A 69 9.924 18.749 -21.660 1.00 31.13 H new ATOM 1079 N GLU A 70 6.422 15.277 -26.505 1.00 73.24 N ATOM 1080 CA GLU A 70 5.148 15.280 -27.215 1.00 14.44 C ATOM 1081 C GLU A 70 4.150 16.215 -26.536 1.00 61.03 C ATOM 1082 O GLU A 70 3.546 17.073 -27.182 1.00 23.50 O ATOM 1083 CB GLU A 70 4.572 13.864 -27.282 1.00 0.23 C ATOM 1084 CG GLU A 70 3.331 13.752 -28.151 1.00 15.44 C ATOM 1085 CD GLU A 70 3.660 13.508 -29.610 1.00 61.33 C ATOM 1086 OE1 GLU A 70 4.016 12.361 -29.955 1.00 10.43 O ATOM 1087 OE2 GLU A 70 3.562 14.463 -30.408 1.00 53.43 O ATOM 0 H GLU A 70 6.409 15.768 -25.611 1.00 73.24 H new ATOM 0 HA GLU A 70 5.327 15.640 -28.228 1.00 14.44 H new ATOM 0 HB2 GLU A 70 5.336 13.188 -27.666 1.00 0.23 H new ATOM 0 HB3 GLU A 70 4.330 13.531 -26.273 1.00 0.23 H new ATOM 0 HG2 GLU A 70 2.706 12.938 -27.782 1.00 15.44 H new ATOM 0 HG3 GLU A 70 2.746 14.668 -28.063 1.00 15.44 H new ATOM 1094 N THR A 71 3.981 16.043 -25.229 1.00 21.31 N ATOM 1095 CA THR A 71 3.056 16.868 -24.462 1.00 44.24 C ATOM 1096 C THR A 71 3.574 17.105 -23.048 1.00 55.01 C ATOM 1097 O THR A 71 4.663 16.657 -22.692 1.00 4.13 O ATOM 1098 CB THR A 71 1.660 16.223 -24.385 1.00 13.32 C ATOM 1099 OG1 THR A 71 1.759 14.905 -23.835 1.00 33.13 O ATOM 1100 CG2 THR A 71 1.017 16.157 -25.762 1.00 62.41 C ATOM 0 H THR A 71 4.473 15.339 -24.679 1.00 21.31 H new ATOM 0 HA THR A 71 2.978 17.823 -24.982 1.00 44.24 H new ATOM 0 HB THR A 71 1.035 16.839 -23.739 1.00 13.32 H new ATOM 0 HG1 THR A 71 1.280 14.870 -22.980 1.00 33.13 H new ATOM 0 HG21 THR A 71 0.032 15.698 -25.682 1.00 62.41 H new ATOM 0 HG22 THR A 71 0.916 17.165 -26.165 1.00 62.41 H new ATOM 0 HG23 THR A 71 1.642 15.561 -26.427 1.00 62.41 H new ATOM 1108 N VAL A 72 2.784 17.812 -22.245 1.00 24.40 N ATOM 1109 CA VAL A 72 3.162 18.106 -20.868 1.00 1.41 C ATOM 1110 C VAL A 72 3.446 16.826 -20.090 1.00 0.41 C ATOM 1111 O VAL A 72 4.405 16.753 -19.323 1.00 45.33 O ATOM 1112 CB VAL A 72 2.061 18.902 -20.142 1.00 30.10 C ATOM 1113 CG1 VAL A 72 2.549 19.368 -18.779 1.00 21.22 C ATOM 1114 CG2 VAL A 72 1.611 20.083 -20.989 1.00 23.03 C ATOM 0 H VAL A 72 1.879 18.191 -22.525 1.00 24.40 H new ATOM 0 HA VAL A 72 4.069 18.710 -20.911 1.00 1.41 H new ATOM 0 HB VAL A 72 1.204 18.246 -19.989 1.00 30.10 H new ATOM 0 HG11 VAL A 72 1.758 19.928 -18.281 1.00 21.22 H new ATOM 0 HG12 VAL A 72 2.817 18.502 -18.173 1.00 21.22 H new ATOM 0 HG13 VAL A 72 3.423 20.008 -18.904 1.00 21.22 H new ATOM 0 HG21 VAL A 72 0.833 20.634 -20.461 1.00 23.03 H new ATOM 0 HG22 VAL A 72 2.459 20.742 -21.175 1.00 23.03 H new ATOM 0 HG23 VAL A 72 1.218 19.721 -21.939 1.00 23.03 H new ATOM 1124 N GLY A 73 2.604 15.818 -20.293 1.00 61.52 N ATOM 1125 CA GLY A 73 2.782 14.553 -19.604 1.00 33.21 C ATOM 1126 C GLY A 73 4.203 14.035 -19.699 1.00 41.04 C ATOM 1127 O GLY A 73 4.727 13.460 -18.745 1.00 72.32 O ATOM 0 H GLY A 73 1.802 15.854 -20.922 1.00 61.52 H new ATOM 0 HA2 GLY A 73 2.512 14.673 -18.555 1.00 33.21 H new ATOM 0 HA3 GLY A 73 2.101 13.814 -20.026 1.00 33.21 H new ATOM 1131 N ASP A 74 4.828 14.238 -20.854 1.00 24.33 N ATOM 1132 CA ASP A 74 6.198 13.786 -21.071 1.00 1.51 C ATOM 1133 C ASP A 74 7.180 14.615 -20.248 1.00 30.30 C ATOM 1134 O ASP A 74 8.180 14.097 -19.751 1.00 4.42 O ATOM 1135 CB ASP A 74 6.557 13.873 -22.555 1.00 40.31 C ATOM 1136 CG ASP A 74 5.654 13.016 -23.420 1.00 64.22 C ATOM 1137 OD1 ASP A 74 4.422 13.214 -23.371 1.00 21.52 O ATOM 1138 OD2 ASP A 74 6.180 12.148 -24.147 1.00 63.33 O ATOM 0 H ASP A 74 4.408 14.712 -21.654 1.00 24.33 H new ATOM 0 HA ASP A 74 6.267 12.747 -20.749 1.00 1.51 H new ATOM 0 HB2 ASP A 74 6.490 14.911 -22.882 1.00 40.31 H new ATOM 0 HB3 ASP A 74 7.592 13.561 -22.694 1.00 40.31 H new ATOM 1143 N VAL A 75 6.888 15.904 -20.109 1.00 72.02 N ATOM 1144 CA VAL A 75 7.745 16.804 -19.347 1.00 15.32 C ATOM 1145 C VAL A 75 7.632 16.535 -17.851 1.00 32.54 C ATOM 1146 O VAL A 75 8.638 16.458 -17.145 1.00 13.31 O ATOM 1147 CB VAL A 75 7.393 18.279 -19.619 1.00 72.24 C ATOM 1148 CG1 VAL A 75 8.525 19.190 -19.171 1.00 22.13 C ATOM 1149 CG2 VAL A 75 7.081 18.488 -21.094 1.00 5.13 C ATOM 0 H VAL A 75 6.064 16.349 -20.514 1.00 72.02 H new ATOM 0 HA VAL A 75 8.768 16.616 -19.671 1.00 15.32 H new ATOM 0 HB VAL A 75 6.504 18.535 -19.043 1.00 72.24 H new ATOM 0 HG11 VAL A 75 8.258 20.228 -19.371 1.00 22.13 H new ATOM 0 HG12 VAL A 75 8.696 19.059 -18.103 1.00 22.13 H new ATOM 0 HG13 VAL A 75 9.433 18.937 -19.718 1.00 22.13 H new ATOM 0 HG21 VAL A 75 6.834 19.535 -21.269 1.00 5.13 H new ATOM 0 HG22 VAL A 75 7.951 18.215 -21.692 1.00 5.13 H new ATOM 0 HG23 VAL A 75 6.234 17.863 -21.379 1.00 5.13 H new ATOM 1159 N VAL A 76 6.400 16.390 -17.372 1.00 0.20 N ATOM 1160 CA VAL A 76 6.155 16.127 -15.959 1.00 52.10 C ATOM 1161 C VAL A 76 6.962 14.927 -15.475 1.00 54.34 C ATOM 1162 O VAL A 76 7.662 15.003 -14.467 1.00 11.31 O ATOM 1163 CB VAL A 76 4.661 15.870 -15.687 1.00 13.40 C ATOM 1164 CG1 VAL A 76 4.407 15.721 -14.195 1.00 4.24 C ATOM 1165 CG2 VAL A 76 3.813 16.991 -16.271 1.00 22.24 C ATOM 0 H VAL A 76 5.556 16.450 -17.942 1.00 0.20 H new ATOM 0 HA VAL A 76 6.469 17.016 -15.413 1.00 52.10 H new ATOM 0 HB VAL A 76 4.376 14.937 -16.174 1.00 13.40 H new ATOM 0 HG11 VAL A 76 3.346 15.540 -14.023 1.00 4.24 H new ATOM 0 HG12 VAL A 76 4.986 14.881 -13.809 1.00 4.24 H new ATOM 0 HG13 VAL A 76 4.707 16.635 -13.682 1.00 4.24 H new ATOM 0 HG21 VAL A 76 2.760 16.793 -16.070 1.00 22.24 H new ATOM 0 HG22 VAL A 76 4.098 17.939 -15.814 1.00 22.24 H new ATOM 0 HG23 VAL A 76 3.973 17.045 -17.348 1.00 22.24 H new ATOM 1175 N ASN A 77 6.858 13.820 -16.203 1.00 23.33 N ATOM 1176 CA ASN A 77 7.579 12.602 -15.848 1.00 12.32 C ATOM 1177 C ASN A 77 9.070 12.748 -16.138 1.00 15.43 C ATOM 1178 O ASN A 77 9.897 12.045 -15.558 1.00 64.14 O ATOM 1179 CB ASN A 77 7.013 11.407 -16.618 1.00 11.25 C ATOM 1180 CG ASN A 77 7.838 11.066 -17.844 1.00 13.14 C ATOM 1181 OD1 ASN A 77 8.907 10.465 -17.738 1.00 41.45 O ATOM 1182 ND2 ASN A 77 7.343 11.449 -19.015 1.00 13.33 N ATOM 0 H ASN A 77 6.282 13.741 -17.041 1.00 23.33 H new ATOM 0 HA ASN A 77 7.450 12.432 -14.779 1.00 12.32 H new ATOM 0 HB2 ASN A 77 6.972 10.540 -15.959 1.00 11.25 H new ATOM 0 HB3 ASN A 77 5.989 11.626 -16.922 1.00 11.25 H new ATOM 0 HD21 ASN A 77 7.853 11.247 -19.875 1.00 13.33 H new ATOM 0 HD22 ASN A 77 6.453 11.945 -19.055 1.00 13.33 H new ATOM 1189 N PHE A 78 9.404 13.667 -17.038 1.00 25.04 N ATOM 1190 CA PHE A 78 10.795 13.906 -17.405 1.00 63.21 C ATOM 1191 C PHE A 78 11.537 14.630 -16.285 1.00 61.14 C ATOM 1192 O PHE A 78 12.596 14.186 -15.840 1.00 11.31 O ATOM 1193 CB PHE A 78 10.871 14.725 -18.695 1.00 53.12 C ATOM 1194 CG PHE A 78 11.170 13.899 -19.913 1.00 70.13 C ATOM 1195 CD1 PHE A 78 10.601 12.645 -20.073 1.00 45.53 C ATOM 1196 CD2 PHE A 78 12.019 14.376 -20.899 1.00 23.13 C ATOM 1197 CE1 PHE A 78 10.876 11.883 -21.193 1.00 11.01 C ATOM 1198 CE2 PHE A 78 12.297 13.618 -22.021 1.00 1.12 C ATOM 1199 CZ PHE A 78 11.724 12.370 -22.168 1.00 53.44 C ATOM 0 H PHE A 78 8.731 14.258 -17.526 1.00 25.04 H new ATOM 0 HA PHE A 78 11.272 12.940 -17.568 1.00 63.21 H new ATOM 0 HB2 PHE A 78 9.924 15.245 -18.842 1.00 53.12 H new ATOM 0 HB3 PHE A 78 11.641 15.489 -18.586 1.00 53.12 H new ATOM 0 HD1 PHE A 78 9.936 12.259 -19.315 1.00 45.53 H new ATOM 0 HD2 PHE A 78 12.469 15.352 -20.789 1.00 23.13 H new ATOM 0 HE1 PHE A 78 10.428 10.907 -21.306 1.00 11.01 H new ATOM 0 HE2 PHE A 78 12.961 14.001 -22.782 1.00 1.12 H new ATOM 0 HZ PHE A 78 11.939 11.776 -23.044 1.00 53.44 H new ATOM 1209 N ILE A 79 10.974 15.746 -15.836 1.00 52.32 N ATOM 1210 CA ILE A 79 11.581 16.532 -14.769 1.00 32.32 C ATOM 1211 C ILE A 79 11.857 15.670 -13.541 1.00 41.13 C ATOM 1212 O ILE A 79 12.786 15.936 -12.778 1.00 41.14 O ATOM 1213 CB ILE A 79 10.683 17.715 -14.360 1.00 63.32 C ATOM 1214 CG1 ILE A 79 10.487 18.666 -15.542 1.00 42.41 C ATOM 1215 CG2 ILE A 79 11.286 18.452 -13.174 1.00 25.01 C ATOM 1216 CD1 ILE A 79 9.676 19.896 -15.200 1.00 13.15 C ATOM 0 H ILE A 79 10.098 16.127 -16.194 1.00 52.32 H new ATOM 0 HA ILE A 79 12.523 16.919 -15.158 1.00 32.32 H new ATOM 0 HB ILE A 79 9.708 17.328 -14.064 1.00 63.32 H new ATOM 0 HG12 ILE A 79 11.463 18.976 -15.914 1.00 42.41 H new ATOM 0 HG13 ILE A 79 9.993 18.129 -16.352 1.00 42.41 H new ATOM 0 HG21 ILE A 79 10.640 19.285 -12.897 1.00 25.01 H new ATOM 0 HG22 ILE A 79 11.379 17.769 -12.330 1.00 25.01 H new ATOM 0 HG23 ILE A 79 12.272 18.831 -13.444 1.00 25.01 H new ATOM 0 HD11 ILE A 79 9.577 20.525 -16.085 1.00 13.15 H new ATOM 0 HD12 ILE A 79 8.686 19.595 -14.856 1.00 13.15 H new ATOM 0 HD13 ILE A 79 10.179 20.456 -14.412 1.00 13.15 H new ATOM 1228 N LYS A 80 11.045 14.635 -13.357 1.00 62.42 N ATOM 1229 CA LYS A 80 11.203 13.730 -12.224 1.00 54.24 C ATOM 1230 C LYS A 80 12.613 13.151 -12.183 1.00 20.14 C ATOM 1231 O LYS A 80 13.293 13.219 -11.159 1.00 24.13 O ATOM 1232 CB LYS A 80 10.177 12.597 -12.303 1.00 53.35 C ATOM 1233 CG LYS A 80 8.758 13.039 -11.990 1.00 33.13 C ATOM 1234 CD LYS A 80 7.860 11.853 -11.680 1.00 22.52 C ATOM 1235 CE LYS A 80 7.850 10.848 -12.822 1.00 52.20 C ATOM 1236 NZ LYS A 80 8.352 9.514 -12.392 1.00 30.21 N ATOM 0 H LYS A 80 10.270 14.402 -13.978 1.00 62.42 H new ATOM 0 HA LYS A 80 11.036 14.300 -11.310 1.00 54.24 H new ATOM 0 HB2 LYS A 80 10.202 12.165 -13.303 1.00 53.35 H new ATOM 0 HB3 LYS A 80 10.465 11.808 -11.608 1.00 53.35 H new ATOM 0 HG2 LYS A 80 8.768 13.721 -11.140 1.00 33.13 H new ATOM 0 HG3 LYS A 80 8.353 13.592 -12.838 1.00 33.13 H new ATOM 0 HD2 LYS A 80 8.202 11.365 -10.767 1.00 22.52 H new ATOM 0 HD3 LYS A 80 6.845 12.203 -11.493 1.00 22.52 H new ATOM 0 HE2 LYS A 80 6.836 10.747 -13.208 1.00 52.20 H new ATOM 0 HE3 LYS A 80 8.466 11.222 -13.640 1.00 52.20 H new ATOM 0 HZ1 LYS A 80 8.329 8.858 -13.199 1.00 30.21 H new ATOM 0 HZ2 LYS A 80 9.329 9.605 -12.047 1.00 30.21 H new ATOM 0 HZ3 LYS A 80 7.749 9.146 -11.629 1.00 30.21 H new ATOM 1250 N LYS A 81 13.048 12.582 -13.302 1.00 54.11 N ATOM 1251 CA LYS A 81 14.378 11.993 -13.395 1.00 42.21 C ATOM 1252 C LYS A 81 15.444 13.076 -13.531 1.00 70.13 C ATOM 1253 O LYS A 81 16.552 12.938 -13.012 1.00 15.54 O ATOM 1254 CB LYS A 81 14.453 11.036 -14.587 1.00 53.42 C ATOM 1255 CG LYS A 81 13.965 11.648 -15.889 1.00 63.03 C ATOM 1256 CD LYS A 81 14.474 10.874 -17.094 1.00 30.23 C ATOM 1257 CE LYS A 81 15.157 11.790 -18.098 1.00 13.14 C ATOM 1258 NZ LYS A 81 16.115 11.048 -18.963 1.00 51.53 N ATOM 0 H LYS A 81 12.498 12.516 -14.158 1.00 54.11 H new ATOM 0 HA LYS A 81 14.566 11.435 -12.477 1.00 42.21 H new ATOM 0 HB2 LYS A 81 15.484 10.707 -14.714 1.00 53.42 H new ATOM 0 HB3 LYS A 81 13.860 10.148 -14.368 1.00 53.42 H new ATOM 0 HG2 LYS A 81 12.875 11.663 -15.899 1.00 63.03 H new ATOM 0 HG3 LYS A 81 14.299 12.684 -15.953 1.00 63.03 H new ATOM 0 HD2 LYS A 81 15.175 10.106 -16.765 1.00 30.23 H new ATOM 0 HD3 LYS A 81 13.642 10.361 -17.576 1.00 30.23 H new ATOM 0 HE2 LYS A 81 14.404 12.272 -18.721 1.00 13.14 H new ATOM 0 HE3 LYS A 81 15.685 12.582 -17.567 1.00 13.14 H new ATOM 0 HZ1 LYS A 81 16.560 11.707 -19.633 1.00 51.53 H new ATOM 0 HZ2 LYS A 81 16.849 10.609 -18.371 1.00 51.53 H new ATOM 0 HZ3 LYS A 81 15.607 10.309 -19.490 1.00 51.53 H new ATOM 1272 N ARG A 82 15.102 14.152 -14.232 1.00 14.13 N ATOM 1273 CA ARG A 82 16.029 15.258 -14.435 1.00 44.14 C ATOM 1274 C ARG A 82 16.562 15.774 -13.102 1.00 33.14 C ATOM 1275 O ARG A 82 17.742 16.100 -12.976 1.00 2.21 O ATOM 1276 CB ARG A 82 15.343 16.394 -15.196 1.00 62.04 C ATOM 1277 CG ARG A 82 15.081 16.075 -16.659 1.00 55.52 C ATOM 1278 CD ARG A 82 15.180 17.320 -17.527 1.00 3.30 C ATOM 1279 NE ARG A 82 13.877 17.941 -17.745 1.00 53.41 N ATOM 1280 CZ ARG A 82 13.713 19.113 -18.350 1.00 34.25 C ATOM 1281 NH1 ARG A 82 14.765 19.786 -18.794 1.00 53.30 N ATOM 1282 NH2 ARG A 82 12.494 19.613 -18.511 1.00 21.32 N ATOM 0 H ARG A 82 14.189 14.281 -14.669 1.00 14.13 H new ATOM 0 HA ARG A 82 16.869 14.890 -15.024 1.00 44.14 H new ATOM 0 HB2 ARG A 82 14.396 16.627 -14.708 1.00 62.04 H new ATOM 0 HB3 ARG A 82 15.963 17.288 -15.133 1.00 62.04 H new ATOM 0 HG2 ARG A 82 15.799 15.331 -17.005 1.00 55.52 H new ATOM 0 HG3 ARG A 82 14.090 15.634 -16.765 1.00 55.52 H new ATOM 0 HD2 ARG A 82 15.849 18.039 -17.054 1.00 3.30 H new ATOM 0 HD3 ARG A 82 15.622 17.057 -18.488 1.00 3.30 H new ATOM 0 HE ARG A 82 13.047 17.449 -17.415 1.00 53.41 H new ATOM 0 HH11 ARG A 82 15.703 19.405 -18.672 1.00 53.30 H new ATOM 0 HH12 ARG A 82 14.636 20.685 -19.258 1.00 53.30 H new ATOM 0 HH21 ARG A 82 11.682 19.098 -18.170 1.00 21.32 H new ATOM 0 HH22 ARG A 82 12.369 20.513 -18.975 1.00 21.32 H new ATOM 1296 N LYS A 83 15.683 15.846 -12.108 1.00 32.53 N ATOM 1297 CA LYS A 83 16.063 16.321 -10.783 1.00 34.45 C ATOM 1298 C LYS A 83 16.440 15.155 -9.874 1.00 71.11 C ATOM 1299 O LYS A 83 17.340 15.269 -9.043 1.00 62.24 O ATOM 1300 CB LYS A 83 14.917 17.119 -10.157 1.00 33.25 C ATOM 1301 CG LYS A 83 14.915 18.587 -10.545 1.00 54.05 C ATOM 1302 CD LYS A 83 15.832 19.402 -9.650 1.00 43.41 C ATOM 1303 CE LYS A 83 17.233 19.506 -10.234 1.00 20.31 C ATOM 1304 NZ LYS A 83 17.929 20.745 -9.790 1.00 52.35 N ATOM 0 H LYS A 83 14.702 15.581 -12.195 1.00 32.53 H new ATOM 0 HA LYS A 83 16.932 16.969 -10.892 1.00 34.45 H new ATOM 0 HB2 LYS A 83 13.969 16.672 -10.455 1.00 33.25 H new ATOM 0 HB3 LYS A 83 14.980 17.039 -9.072 1.00 33.25 H new ATOM 0 HG2 LYS A 83 15.232 18.690 -11.583 1.00 54.05 H new ATOM 0 HG3 LYS A 83 13.900 18.980 -10.481 1.00 54.05 H new ATOM 0 HD2 LYS A 83 15.417 20.401 -9.516 1.00 43.41 H new ATOM 0 HD3 LYS A 83 15.881 18.942 -8.663 1.00 43.41 H new ATOM 0 HE2 LYS A 83 17.816 18.635 -9.935 1.00 20.31 H new ATOM 0 HE3 LYS A 83 17.175 19.493 -11.322 1.00 20.31 H new ATOM 0 HZ1 LYS A 83 18.880 20.778 -10.210 1.00 52.35 H new ATOM 0 HZ2 LYS A 83 17.386 21.577 -10.097 1.00 52.35 H new ATOM 0 HZ3 LYS A 83 18.008 20.746 -8.753 1.00 52.35 H new ATOM 1318 N GLY A 84 15.746 14.033 -10.039 1.00 73.10 N ATOM 1319 CA GLY A 84 16.024 12.862 -9.228 1.00 10.33 C ATOM 1320 C GLY A 84 15.005 11.759 -9.432 1.00 53.25 C ATOM 1321 O GLY A 84 14.270 11.405 -8.511 1.00 12.23 O ATOM 0 H GLY A 84 14.996 13.914 -10.720 1.00 73.10 H new ATOM 0 HA2 GLY A 84 17.017 12.484 -9.470 1.00 10.33 H new ATOM 0 HA3 GLY A 84 16.039 13.148 -8.176 1.00 10.33 H new TER 1325 GLY A 84