USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -179:sc= 0 (180deg=-0.00503) USER MOD Single : A 4 ASN : amide:sc= -0.0841 K(o=-0.084,f=-2.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.628 USER MOD Single : A 14 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 17 CYS SG : rot -129:sc= 0 USER MOD Single : A 18 MET CE :methyl -174:sc= -0.598 (180deg=-0.688) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.57 F(o=-1.2,f=-0.57) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -141:sc=-0.00963 (180deg=-1.04) USER MOD Single : A 44 MET CE :methyl -178:sc= -0.0489 (180deg=-0.0637) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.608 K(o=0.61,f=-5.9!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.00648 USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= 0.727 (180deg=0.517) USER MOD Single : A 58 TYR OH : rot -90:sc= 0.276 USER MOD Single : A 65 SER OG : rot -71:sc= 0.0891 USER MOD Single : A 66 SER OG : rot -175:sc= 0.251 USER MOD Single : A 74 THR OG1 : rot 48:sc= 0.979 USER MOD Single : A 76 GLN : amide:sc= -0.0375 K(o=-0.037,f=-1.3) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.0616 K(o=0.062,f=-1.9!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.812 K(o=0.81,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.884 19.264 -15.129 1.00 62.31 N ATOM 2 CA GLY A 1 -10.914 19.557 -14.062 1.00 44.40 C ATOM 3 C GLY A 1 -9.658 18.711 -14.209 1.00 72.40 C ATOM 4 O GLY A 1 -8.783 19.038 -15.009 1.00 33.11 O ATOM 0 H1 GLY A 1 -12.729 19.856 -15.002 1.00 62.31 H new ATOM 0 H2 GLY A 1 -11.455 19.468 -16.054 1.00 62.31 H new ATOM 0 H3 GLY A 1 -12.154 18.261 -15.086 1.00 62.31 H new ATOM 0 HA2 GLY A 1 -10.648 20.614 -14.089 1.00 44.40 H new ATOM 0 HA3 GLY A 1 -11.371 19.368 -13.090 1.00 44.40 H new ATOM 8 N HIS A 2 -9.545 17.622 -13.439 1.00 71.23 N ATOM 9 CA HIS A 2 -8.357 16.769 -13.319 1.00 72.01 C ATOM 10 C HIS A 2 -7.100 17.572 -12.920 1.00 15.13 C ATOM 11 O HIS A 2 -5.978 17.197 -13.283 1.00 40.52 O ATOM 12 CB HIS A 2 -8.141 15.932 -14.595 1.00 13.11 C ATOM 13 CG HIS A 2 -9.371 15.313 -15.217 1.00 62.04 C ATOM 14 ND1 HIS A 2 -10.006 15.792 -16.338 1.00 41.52 N ATOM 15 CD2 HIS A 2 -9.985 14.139 -14.865 1.00 32.44 C ATOM 16 CE1 HIS A 2 -10.991 14.940 -16.646 1.00 15.13 C ATOM 17 NE2 HIS A 2 -11.012 13.900 -15.795 1.00 72.21 N ATOM 0 H HIS A 2 -10.316 17.297 -12.855 1.00 71.23 H new ATOM 0 HA HIS A 2 -8.538 16.069 -12.503 1.00 72.01 H new ATOM 0 HB2 HIS A 2 -7.665 16.567 -15.342 1.00 13.11 H new ATOM 0 HB3 HIS A 2 -7.438 15.132 -14.362 1.00 13.11 H new ATOM 0 HD2 HIS A 2 -9.727 13.511 -14.025 1.00 32.44 H new ATOM 0 HE1 HIS A 2 -11.678 15.071 -17.469 1.00 15.13 H new ATOM 0 HE2 HIS A 2 -11.644 13.100 -15.819 1.00 72.21 H new ATOM 24 N MET A 3 -7.286 18.689 -12.212 1.00 61.34 N ATOM 25 CA MET A 3 -6.275 19.635 -11.752 1.00 72.21 C ATOM 26 C MET A 3 -6.681 20.076 -10.336 1.00 72.22 C ATOM 27 O MET A 3 -7.839 19.874 -9.953 1.00 31.13 O ATOM 28 CB MET A 3 -6.225 20.833 -12.721 1.00 31.45 C ATOM 29 CG MET A 3 -4.918 21.634 -12.648 1.00 62.14 C ATOM 30 SD MET A 3 -4.932 23.249 -13.475 1.00 4.11 S ATOM 31 CE MET A 3 -5.376 22.790 -15.169 1.00 54.43 C ATOM 0 H MET A 3 -8.222 18.975 -11.925 1.00 61.34 H new ATOM 0 HA MET A 3 -5.281 19.188 -11.727 1.00 72.21 H new ATOM 0 HB2 MET A 3 -6.362 20.470 -13.740 1.00 31.45 H new ATOM 0 HB3 MET A 3 -7.061 21.498 -12.505 1.00 31.45 H new ATOM 0 HG2 MET A 3 -4.666 21.787 -11.599 1.00 62.14 H new ATOM 0 HG3 MET A 3 -4.120 21.032 -13.083 1.00 62.14 H new ATOM 0 HE1 MET A 3 -5.404 23.684 -15.793 1.00 54.43 H new ATOM 0 HE2 MET A 3 -4.635 22.095 -15.564 1.00 54.43 H new ATOM 0 HE3 MET A 3 -6.357 22.315 -15.172 1.00 54.43 H new ATOM 39 N ASN A 4 -5.768 20.738 -9.613 1.00 3.32 N ATOM 40 CA ASN A 4 -5.833 21.112 -8.199 1.00 54.54 C ATOM 41 C ASN A 4 -5.904 19.869 -7.312 1.00 53.44 C ATOM 42 O ASN A 4 -6.890 19.125 -7.333 1.00 62.13 O ATOM 43 CB ASN A 4 -6.946 22.130 -7.922 1.00 73.40 C ATOM 44 CG ASN A 4 -6.790 22.829 -6.571 1.00 55.24 C ATOM 45 OD1 ASN A 4 -6.195 22.313 -5.625 1.00 4.25 O ATOM 46 ND2 ASN A 4 -7.302 24.044 -6.476 1.00 51.52 N ATOM 0 H ASN A 4 -4.895 21.050 -10.039 1.00 3.32 H new ATOM 0 HA ASN A 4 -4.908 21.626 -7.939 1.00 54.54 H new ATOM 0 HB2 ASN A 4 -6.952 22.879 -8.714 1.00 73.40 H new ATOM 0 HB3 ASN A 4 -7.911 21.624 -7.954 1.00 73.40 H new ATOM 0 HD21 ASN A 4 -7.207 24.571 -5.608 1.00 51.52 H new ATOM 0 HD22 ASN A 4 -7.792 24.455 -7.271 1.00 51.52 H new ATOM 52 N LEU A 5 -4.826 19.624 -6.566 1.00 21.41 N ATOM 53 CA LEU A 5 -4.628 18.482 -5.683 1.00 3.33 C ATOM 54 C LEU A 5 -4.298 19.041 -4.303 1.00 55.44 C ATOM 55 O LEU A 5 -3.462 19.949 -4.205 1.00 44.53 O ATOM 56 CB LEU A 5 -3.460 17.641 -6.229 1.00 42.44 C ATOM 57 CG LEU A 5 -3.329 16.245 -5.598 1.00 72.41 C ATOM 58 CD1 LEU A 5 -4.397 15.294 -6.146 1.00 60.02 C ATOM 59 CD2 LEU A 5 -1.957 15.647 -5.916 1.00 55.23 C ATOM 0 H LEU A 5 -4.025 20.255 -6.564 1.00 21.41 H new ATOM 0 HA LEU A 5 -5.511 17.846 -5.624 1.00 3.33 H new ATOM 0 HB2 LEU A 5 -3.582 17.529 -7.306 1.00 42.44 H new ATOM 0 HB3 LEU A 5 -2.530 18.187 -6.069 1.00 42.44 H new ATOM 0 HG LEU A 5 -3.455 16.360 -4.521 1.00 72.41 H new ATOM 0 HD11 LEU A 5 -4.283 14.313 -5.684 1.00 60.02 H new ATOM 0 HD12 LEU A 5 -5.387 15.689 -5.919 1.00 60.02 H new ATOM 0 HD13 LEU A 5 -4.282 15.202 -7.226 1.00 60.02 H new ATOM 0 HD21 LEU A 5 -1.877 14.659 -5.463 1.00 55.23 H new ATOM 0 HD22 LEU A 5 -1.839 15.562 -6.996 1.00 55.23 H new ATOM 0 HD23 LEU A 5 -1.176 16.294 -5.515 1.00 55.23 H new ATOM 70 N THR A 6 -4.914 18.513 -3.248 1.00 54.42 N ATOM 71 CA THR A 6 -4.735 19.039 -1.900 1.00 11.12 C ATOM 72 C THR A 6 -3.305 18.817 -1.397 1.00 61.23 C ATOM 73 O THR A 6 -2.560 17.995 -1.950 1.00 53.50 O ATOM 74 CB THR A 6 -5.774 18.431 -0.938 1.00 61.04 C ATOM 75 OG1 THR A 6 -5.789 17.026 -1.021 1.00 0.43 O ATOM 76 CG2 THR A 6 -7.156 18.984 -1.244 1.00 75.31 C ATOM 0 H THR A 6 -5.546 17.715 -3.304 1.00 54.42 H new ATOM 0 HA THR A 6 -4.898 20.116 -1.934 1.00 11.12 H new ATOM 0 HB THR A 6 -5.492 18.706 0.078 1.00 61.04 H new ATOM 0 HG1 THR A 6 -6.456 16.669 -0.398 1.00 0.43 H new ATOM 0 HG21 THR A 6 -7.882 18.548 -0.558 1.00 75.31 H new ATOM 0 HG22 THR A 6 -7.149 20.067 -1.124 1.00 75.31 H new ATOM 0 HG23 THR A 6 -7.429 18.734 -2.269 1.00 75.31 H new ATOM 84 N PRO A 7 -2.906 19.491 -0.303 1.00 61.11 N ATOM 85 CA PRO A 7 -1.728 19.118 0.475 1.00 52.20 C ATOM 86 C PRO A 7 -1.716 17.656 0.949 1.00 0.14 C ATOM 87 O PRO A 7 -0.671 17.211 1.429 1.00 74.32 O ATOM 88 CB PRO A 7 -1.728 20.066 1.684 1.00 74.24 C ATOM 89 CG PRO A 7 -3.182 20.508 1.810 1.00 2.42 C ATOM 90 CD PRO A 7 -3.588 20.608 0.346 1.00 74.03 C ATOM 0 HA PRO A 7 -0.840 19.206 -0.150 1.00 52.20 H new ATOM 0 HB2 PRO A 7 -1.385 19.561 2.587 1.00 74.24 H new ATOM 0 HB3 PRO A 7 -1.065 20.916 1.524 1.00 74.24 H new ATOM 0 HG2 PRO A 7 -3.786 19.784 2.356 1.00 2.42 H new ATOM 0 HG3 PRO A 7 -3.279 21.461 2.330 1.00 2.42 H new ATOM 0 HD2 PRO A 7 -4.669 20.534 0.229 1.00 74.03 H new ATOM 0 HD3 PRO A 7 -3.285 21.562 -0.085 1.00 74.03 H new ATOM 95 N GLU A 8 -2.834 16.930 0.837 1.00 42.33 N ATOM 96 CA GLU A 8 -3.109 15.686 1.539 1.00 31.01 C ATOM 97 C GLU A 8 -3.309 14.543 0.550 1.00 31.44 C ATOM 98 O GLU A 8 -2.739 13.483 0.770 1.00 55.41 O ATOM 99 CB GLU A 8 -4.361 15.887 2.403 1.00 43.32 C ATOM 100 CG GLU A 8 -4.103 16.834 3.587 1.00 55.11 C ATOM 101 CD GLU A 8 -5.374 17.507 4.112 1.00 3.02 C ATOM 102 OE1 GLU A 8 -6.487 16.965 3.941 1.00 22.33 O ATOM 103 OE2 GLU A 8 -5.229 18.622 4.671 1.00 71.32 O ATOM 0 H GLU A 8 -3.601 17.212 0.226 1.00 42.33 H new ATOM 0 HA GLU A 8 -2.263 15.422 2.173 1.00 31.01 H new ATOM 0 HB2 GLU A 8 -5.165 16.289 1.787 1.00 43.32 H new ATOM 0 HB3 GLU A 8 -4.700 14.922 2.779 1.00 43.32 H new ATOM 0 HG2 GLU A 8 -3.636 16.273 4.397 1.00 55.11 H new ATOM 0 HG3 GLU A 8 -3.393 17.602 3.281 1.00 55.11 H new ATOM 108 N GLU A 9 -4.015 14.744 -0.570 1.00 60.00 N ATOM 109 CA GLU A 9 -4.216 13.703 -1.578 1.00 44.53 C ATOM 110 C GLU A 9 -2.881 13.169 -2.095 1.00 35.43 C ATOM 111 O GLU A 9 -2.731 11.974 -2.325 1.00 14.31 O ATOM 112 CB GLU A 9 -5.050 14.239 -2.751 1.00 13.32 C ATOM 113 CG GLU A 9 -6.567 14.105 -2.544 1.00 64.32 C ATOM 114 CD GLU A 9 -7.276 13.430 -3.723 1.00 43.12 C ATOM 115 OE1 GLU A 9 -7.147 13.910 -4.878 1.00 34.33 O ATOM 116 OE2 GLU A 9 -7.955 12.401 -3.500 1.00 1.34 O ATOM 0 H GLU A 9 -4.461 15.632 -0.800 1.00 60.00 H new ATOM 0 HA GLU A 9 -4.755 12.884 -1.102 1.00 44.53 H new ATOM 0 HB2 GLU A 9 -4.805 15.289 -2.909 1.00 13.32 H new ATOM 0 HB3 GLU A 9 -4.768 13.706 -3.659 1.00 13.32 H new ATOM 0 HG2 GLU A 9 -6.755 13.530 -1.637 1.00 64.32 H new ATOM 0 HG3 GLU A 9 -6.996 15.095 -2.388 1.00 64.32 H new ATOM 121 N ARG A 10 -1.881 14.047 -2.225 1.00 3.53 N ATOM 122 CA ARG A 10 -0.530 13.681 -2.638 1.00 64.03 C ATOM 123 C ARG A 10 0.127 12.683 -1.672 1.00 35.44 C ATOM 124 O ARG A 10 1.013 11.933 -2.090 1.00 34.01 O ATOM 125 CB ARG A 10 0.288 14.979 -2.776 1.00 62.43 C ATOM 126 CG ARG A 10 1.747 14.709 -3.151 1.00 1.34 C ATOM 127 CD ARG A 10 2.567 15.979 -3.386 1.00 34.35 C ATOM 128 NE ARG A 10 3.999 15.664 -3.250 1.00 72.24 N ATOM 129 CZ ARG A 10 4.670 15.564 -2.092 1.00 3.21 C ATOM 130 NH1 ARG A 10 4.112 15.952 -0.951 1.00 11.13 N ATOM 131 NH2 ARG A 10 5.895 15.058 -2.060 1.00 62.03 N ATOM 0 H ARG A 10 -1.993 15.044 -2.043 1.00 3.53 H new ATOM 0 HA ARG A 10 -0.568 13.163 -3.597 1.00 64.03 H new ATOM 0 HB2 ARG A 10 -0.168 15.614 -3.535 1.00 62.43 H new ATOM 0 HB3 ARG A 10 0.253 15.530 -1.836 1.00 62.43 H new ATOM 0 HG2 ARG A 10 2.215 14.127 -2.357 1.00 1.34 H new ATOM 0 HG3 ARG A 10 1.774 14.098 -4.053 1.00 1.34 H new ATOM 0 HD2 ARG A 10 2.363 16.379 -4.379 1.00 34.35 H new ATOM 0 HD3 ARG A 10 2.282 16.748 -2.668 1.00 34.35 H new ATOM 0 HE ARG A 10 4.526 15.509 -4.109 1.00 72.24 H new ATOM 0 HH11 ARG A 10 3.165 16.330 -0.949 1.00 11.13 H new ATOM 0 HH12 ARG A 10 4.631 15.872 -0.076 1.00 11.13 H new ATOM 0 HH21 ARG A 10 6.338 14.739 -2.922 1.00 62.03 H new ATOM 0 HH22 ARG A 10 6.395 14.987 -1.174 1.00 62.03 H new ATOM 142 N ASP A 11 -0.241 12.710 -0.391 1.00 61.12 N ATOM 143 CA ASP A 11 0.265 11.824 0.661 1.00 24.11 C ATOM 144 C ASP A 11 -0.595 10.560 0.722 1.00 35.33 C ATOM 145 O ASP A 11 -0.084 9.440 0.739 1.00 12.52 O ATOM 146 CB ASP A 11 0.220 12.570 2.003 1.00 14.42 C ATOM 147 CG ASP A 11 0.907 11.831 3.156 1.00 43.32 C ATOM 148 OD1 ASP A 11 1.910 11.093 2.927 1.00 2.52 O ATOM 149 OD2 ASP A 11 0.511 12.078 4.308 1.00 3.20 O ATOM 0 H ASP A 11 -0.929 13.377 -0.042 1.00 61.12 H new ATOM 0 HA ASP A 11 1.294 11.534 0.446 1.00 24.11 H new ATOM 0 HB2 ASP A 11 0.691 13.545 1.880 1.00 14.42 H new ATOM 0 HB3 ASP A 11 -0.821 12.750 2.271 1.00 14.42 H new ATOM 153 N ALA A 12 -1.917 10.745 0.641 1.00 51.10 N ATOM 154 CA ALA A 12 -2.949 9.714 0.669 1.00 40.40 C ATOM 155 C ALA A 12 -2.910 8.751 -0.528 1.00 75.22 C ATOM 156 O ALA A 12 -3.729 7.838 -0.588 1.00 61.21 O ATOM 157 CB ALA A 12 -4.319 10.395 0.770 1.00 75.50 C ATOM 0 H ALA A 12 -2.315 11.679 0.548 1.00 51.10 H new ATOM 0 HA ALA A 12 -2.757 9.089 1.542 1.00 40.40 H new ATOM 0 HB1 ALA A 12 -5.102 9.637 0.792 1.00 75.50 H new ATOM 0 HB2 ALA A 12 -4.364 10.989 1.683 1.00 75.50 H new ATOM 0 HB3 ALA A 12 -4.467 11.044 -0.093 1.00 75.50 H new ATOM 163 N ARG A 13 -1.962 8.920 -1.455 1.00 61.34 N ATOM 164 CA ARG A 13 -1.579 7.920 -2.455 1.00 42.42 C ATOM 165 C ARG A 13 -0.997 6.662 -1.816 1.00 4.15 C ATOM 166 O ARG A 13 -0.809 5.660 -2.499 1.00 44.20 O ATOM 167 CB ARG A 13 -0.523 8.495 -3.410 1.00 21.05 C ATOM 168 CG ARG A 13 -1.070 9.680 -4.197 1.00 55.50 C ATOM 169 CD ARG A 13 -0.087 10.139 -5.265 1.00 31.42 C ATOM 170 NE ARG A 13 -0.728 11.102 -6.171 1.00 15.53 N ATOM 171 CZ ARG A 13 -0.169 12.196 -6.689 1.00 22.13 C ATOM 172 NH1 ARG A 13 1.058 12.569 -6.337 1.00 14.51 N ATOM 173 NH2 ARG A 13 -0.855 12.930 -7.552 1.00 0.44 N ATOM 0 H ARG A 13 -1.424 9.783 -1.532 1.00 61.34 H new ATOM 0 HA ARG A 13 -2.489 7.658 -2.995 1.00 42.42 H new ATOM 0 HB2 ARG A 13 0.353 8.807 -2.841 1.00 21.05 H new ATOM 0 HB3 ARG A 13 -0.194 7.719 -4.101 1.00 21.05 H new ATOM 0 HG2 ARG A 13 -2.015 9.403 -4.665 1.00 55.50 H new ATOM 0 HG3 ARG A 13 -1.281 10.505 -3.516 1.00 55.50 H new ATOM 0 HD2 ARG A 13 0.783 10.596 -4.795 1.00 31.42 H new ATOM 0 HD3 ARG A 13 0.271 9.280 -5.832 1.00 31.42 H new ATOM 0 HE ARG A 13 -1.697 10.915 -6.429 1.00 15.53 H new ATOM 0 HH11 ARG A 13 1.585 12.015 -5.662 1.00 14.51 H new ATOM 0 HH12 ARG A 13 1.472 13.409 -6.742 1.00 14.51 H new ATOM 0 HH21 ARG A 13 -1.802 12.657 -7.815 1.00 0.44 H new ATOM 0 HH22 ARG A 13 -0.436 13.769 -7.954 1.00 0.44 H new ATOM 184 N THR A 14 -0.578 6.732 -0.559 1.00 42.52 N ATOM 185 CA THR A 14 0.037 5.610 0.121 1.00 24.22 C ATOM 186 C THR A 14 -1.034 4.516 0.291 1.00 24.22 C ATOM 187 O THR A 14 -2.121 4.787 0.802 1.00 61.50 O ATOM 188 CB THR A 14 0.638 6.143 1.437 1.00 3.41 C ATOM 189 OG1 THR A 14 1.468 7.271 1.188 1.00 64.31 O ATOM 190 CG2 THR A 14 1.492 5.091 2.139 1.00 21.43 C ATOM 0 H THR A 14 -0.657 7.572 0.015 1.00 42.52 H new ATOM 0 HA THR A 14 0.855 5.151 -0.433 1.00 24.22 H new ATOM 0 HB THR A 14 -0.205 6.414 2.073 1.00 3.41 H new ATOM 0 HG1 THR A 14 0.912 8.074 1.102 1.00 64.31 H new ATOM 0 HG21 THR A 14 1.896 5.507 3.062 1.00 21.43 H new ATOM 0 HG22 THR A 14 0.879 4.221 2.372 1.00 21.43 H new ATOM 0 HG23 THR A 14 2.312 4.793 1.486 1.00 21.43 H new ATOM 198 N VAL A 15 -0.760 3.283 -0.143 1.00 71.52 N ATOM 199 CA VAL A 15 -1.646 2.136 0.075 1.00 73.24 C ATOM 200 C VAL A 15 -1.121 1.335 1.276 1.00 32.52 C ATOM 201 O VAL A 15 -0.077 1.684 1.826 1.00 43.31 O ATOM 202 CB VAL A 15 -1.830 1.332 -1.232 1.00 12.04 C ATOM 203 CG1 VAL A 15 -2.622 2.150 -2.259 1.00 63.51 C ATOM 204 CG2 VAL A 15 -0.520 0.871 -1.877 1.00 54.40 C ATOM 0 H VAL A 15 0.089 3.051 -0.659 1.00 71.52 H new ATOM 0 HA VAL A 15 -2.656 2.452 0.335 1.00 73.24 H new ATOM 0 HB VAL A 15 -2.376 0.435 -0.940 1.00 12.04 H new ATOM 0 HG11 VAL A 15 -2.742 1.568 -3.173 1.00 63.51 H new ATOM 0 HG12 VAL A 15 -3.604 2.393 -1.852 1.00 63.51 H new ATOM 0 HG13 VAL A 15 -2.084 3.071 -2.483 1.00 63.51 H new ATOM 0 HG21 VAL A 15 -0.739 0.315 -2.788 1.00 54.40 H new ATOM 0 HG22 VAL A 15 0.091 1.740 -2.121 1.00 54.40 H new ATOM 0 HG23 VAL A 15 0.022 0.230 -1.182 1.00 54.40 H new ATOM 214 N PHE A 16 -1.835 0.303 1.740 1.00 24.14 N ATOM 215 CA PHE A 16 -1.471 -0.434 2.945 1.00 12.00 C ATOM 216 C PHE A 16 -1.810 -1.910 2.796 1.00 74.23 C ATOM 217 O PHE A 16 -2.949 -2.353 2.975 1.00 35.42 O ATOM 218 CB PHE A 16 -2.127 0.174 4.185 1.00 43.12 C ATOM 219 CG PHE A 16 -1.822 -0.524 5.499 1.00 32.30 C ATOM 220 CD1 PHE A 16 -0.601 -1.200 5.700 1.00 22.13 C ATOM 221 CD2 PHE A 16 -2.764 -0.475 6.544 1.00 41.23 C ATOM 222 CE1 PHE A 16 -0.360 -1.876 6.902 1.00 13.24 C ATOM 223 CE2 PHE A 16 -2.527 -1.162 7.747 1.00 52.04 C ATOM 224 CZ PHE A 16 -1.330 -1.880 7.917 1.00 54.03 C ATOM 0 H PHE A 16 -2.681 -0.041 1.287 1.00 24.14 H new ATOM 0 HA PHE A 16 -0.392 -0.354 3.080 1.00 12.00 H new ATOM 0 HB2 PHE A 16 -1.814 1.215 4.266 1.00 43.12 H new ATOM 0 HB3 PHE A 16 -3.207 0.177 4.038 1.00 43.12 H new ATOM 0 HD1 PHE A 16 0.151 -1.196 4.924 1.00 22.13 H new ATOM 0 HD2 PHE A 16 -3.674 0.094 6.421 1.00 41.23 H new ATOM 0 HE1 PHE A 16 0.575 -2.396 7.049 1.00 13.24 H new ATOM 0 HE2 PHE A 16 -3.262 -1.139 8.538 1.00 52.04 H new ATOM 0 HZ PHE A 16 -1.157 -2.434 8.828 1.00 54.03 H new ATOM 233 N CYS A 17 -0.788 -2.673 2.453 1.00 15.04 N ATOM 234 CA CYS A 17 -0.818 -4.112 2.330 1.00 52.03 C ATOM 235 C CYS A 17 -0.680 -4.723 3.727 1.00 44.12 C ATOM 236 O CYS A 17 0.429 -5.000 4.178 1.00 52.03 O ATOM 237 CB CYS A 17 0.332 -4.534 1.410 1.00 4.10 C ATOM 238 SG CYS A 17 0.238 -3.719 -0.210 1.00 15.22 S ATOM 0 H CYS A 17 0.130 -2.282 2.243 1.00 15.04 H new ATOM 0 HA CYS A 17 -1.756 -4.462 1.898 1.00 52.03 H new ATOM 0 HB2 CYS A 17 1.283 -4.292 1.884 1.00 4.10 H new ATOM 0 HB3 CYS A 17 0.310 -5.615 1.274 1.00 4.10 H new ATOM 0 HG CYS A 17 0.321 -4.612 -1.151 1.00 15.22 H new ATOM 243 N MET A 18 -1.801 -4.919 4.426 1.00 24.50 N ATOM 244 CA MET A 18 -1.840 -5.531 5.761 1.00 55.21 C ATOM 245 C MET A 18 -2.024 -7.058 5.701 1.00 20.51 C ATOM 246 O MET A 18 -2.320 -7.688 6.716 1.00 51.15 O ATOM 247 CB MET A 18 -2.904 -4.816 6.620 1.00 15.01 C ATOM 248 CG MET A 18 -2.873 -5.196 8.113 1.00 13.30 C ATOM 249 SD MET A 18 -3.715 -4.061 9.246 1.00 12.32 S ATOM 250 CE MET A 18 -5.424 -4.347 8.730 1.00 23.11 C ATOM 0 H MET A 18 -2.722 -4.654 4.077 1.00 24.50 H new ATOM 0 HA MET A 18 -0.873 -5.392 6.244 1.00 55.21 H new ATOM 0 HB2 MET A 18 -2.764 -3.739 6.528 1.00 15.01 H new ATOM 0 HB3 MET A 18 -3.891 -5.045 6.219 1.00 15.01 H new ATOM 0 HG2 MET A 18 -3.319 -6.184 8.224 1.00 13.30 H new ATOM 0 HG3 MET A 18 -1.832 -5.280 8.423 1.00 13.30 H new ATOM 0 HE1 MET A 18 -6.082 -3.650 9.249 1.00 23.11 H new ATOM 0 HE2 MET A 18 -5.510 -4.194 7.654 1.00 23.11 H new ATOM 0 HE3 MET A 18 -5.712 -5.369 8.975 1.00 23.11 H new ATOM 258 N GLN A 19 -1.863 -7.687 4.538 1.00 53.03 N ATOM 259 CA GLN A 19 -1.858 -9.135 4.426 1.00 0.20 C ATOM 260 C GLN A 19 -0.677 -9.531 3.559 1.00 34.32 C ATOM 261 O GLN A 19 -0.747 -9.475 2.338 1.00 21.41 O ATOM 262 CB GLN A 19 -3.222 -9.652 3.935 1.00 2.10 C ATOM 263 CG GLN A 19 -4.068 -10.103 5.139 1.00 1.01 C ATOM 264 CD GLN A 19 -5.427 -10.705 4.799 1.00 34.44 C ATOM 265 OE1 GLN A 19 -5.948 -10.481 3.607 1.00 12.43 O flip ATOM 266 NE2 GLN A 19 -6.039 -11.352 5.647 1.00 12.41 N flip ATOM 0 H GLN A 19 -1.733 -7.202 3.650 1.00 53.03 H new ATOM 0 HA GLN A 19 -1.725 -9.613 5.397 1.00 0.20 H new ATOM 0 HB2 GLN A 19 -3.743 -8.868 3.385 1.00 2.10 H new ATOM 0 HB3 GLN A 19 -3.080 -10.484 3.246 1.00 2.10 H new ATOM 0 HG2 GLN A 19 -3.497 -10.837 5.707 1.00 1.01 H new ATOM 0 HG3 GLN A 19 -4.224 -9.245 5.793 1.00 1.01 H new ATOM 0 HE21 GLN A 19 -5.621 -11.516 6.563 1.00 12.41 H new ATOM 0 HE22 GLN A 19 -6.964 -11.725 5.434 1.00 12.41 H new ATOM 273 N LEU A 20 0.447 -9.856 4.198 1.00 55.25 N ATOM 274 CA LEU A 20 1.627 -10.354 3.505 1.00 1.30 C ATOM 275 C LEU A 20 1.990 -11.760 3.958 1.00 33.51 C ATOM 276 O LEU A 20 1.682 -12.145 5.091 1.00 11.33 O ATOM 277 CB LEU A 20 2.822 -9.428 3.711 1.00 15.42 C ATOM 278 CG LEU A 20 2.526 -7.926 3.643 1.00 24.30 C ATOM 279 CD1 LEU A 20 3.847 -7.190 3.804 1.00 43.43 C ATOM 280 CD2 LEU A 20 1.806 -7.497 2.369 1.00 0.02 C ATOM 0 H LEU A 20 0.561 -9.780 5.209 1.00 55.25 H new ATOM 0 HA LEU A 20 1.380 -10.383 2.444 1.00 1.30 H new ATOM 0 HB2 LEU A 20 3.264 -9.648 4.683 1.00 15.42 H new ATOM 0 HB3 LEU A 20 3.574 -9.665 2.958 1.00 15.42 H new ATOM 0 HG LEU A 20 1.834 -7.674 4.447 1.00 24.30 H new ATOM 0 HD11 LEU A 20 3.672 -6.115 3.760 1.00 43.43 H new ATOM 0 HD12 LEU A 20 4.292 -7.447 4.766 1.00 43.43 H new ATOM 0 HD13 LEU A 20 4.525 -7.480 3.002 1.00 43.43 H new ATOM 0 HD21 LEU A 20 1.631 -6.421 2.394 1.00 0.02 H new ATOM 0 HD22 LEU A 20 2.420 -7.745 1.503 1.00 0.02 H new ATOM 0 HD23 LEU A 20 0.851 -8.018 2.298 1.00 0.02 H new ATOM 291 N ALA A 21 2.724 -12.477 3.103 1.00 12.13 N ATOM 292 CA ALA A 21 3.410 -13.695 3.499 1.00 34.41 C ATOM 293 C ALA A 21 4.583 -13.360 4.422 1.00 72.32 C ATOM 294 O ALA A 21 5.142 -12.259 4.397 1.00 0.12 O ATOM 295 CB ALA A 21 3.924 -14.454 2.267 1.00 24.11 C ATOM 0 H ALA A 21 2.855 -12.226 2.123 1.00 12.13 H new ATOM 0 HA ALA A 21 2.701 -14.330 4.030 1.00 34.41 H new ATOM 0 HB1 ALA A 21 4.434 -15.363 2.586 1.00 24.11 H new ATOM 0 HB2 ALA A 21 3.083 -14.717 1.625 1.00 24.11 H new ATOM 0 HB3 ALA A 21 4.619 -13.822 1.714 1.00 24.11 H new ATOM 301 N ALA A 22 5.024 -14.375 5.158 1.00 64.52 N ATOM 302 CA ALA A 22 6.174 -14.348 6.048 1.00 2.03 C ATOM 303 C ALA A 22 7.523 -14.495 5.333 1.00 54.34 C ATOM 304 O ALA A 22 8.541 -14.654 6.012 1.00 23.54 O ATOM 305 CB ALA A 22 5.995 -15.492 7.048 1.00 71.14 C ATOM 0 H ALA A 22 4.563 -15.285 5.147 1.00 64.52 H new ATOM 0 HA ALA A 22 6.206 -13.371 6.529 1.00 2.03 H new ATOM 0 HB1 ALA A 22 6.839 -15.508 7.737 1.00 71.14 H new ATOM 0 HB2 ALA A 22 5.072 -15.344 7.608 1.00 71.14 H new ATOM 0 HB3 ALA A 22 5.946 -16.440 6.512 1.00 71.14 H new ATOM 311 N ARG A 23 7.572 -14.526 3.998 1.00 73.15 N ATOM 312 CA ARG A 23 8.829 -14.532 3.248 1.00 73.14 C ATOM 313 C ARG A 23 8.591 -13.836 1.915 1.00 55.35 C ATOM 314 O ARG A 23 8.614 -14.457 0.850 1.00 75.12 O ATOM 315 CB ARG A 23 9.373 -15.966 3.129 1.00 35.32 C ATOM 316 CG ARG A 23 10.883 -16.026 2.845 1.00 61.14 C ATOM 317 CD ARG A 23 11.245 -16.328 1.386 1.00 52.03 C ATOM 318 NE ARG A 23 12.577 -16.948 1.283 1.00 40.24 N ATOM 319 CZ ARG A 23 13.029 -17.695 0.263 1.00 4.13 C ATOM 320 NH1 ARG A 23 12.306 -17.882 -0.835 1.00 41.11 N ATOM 321 NH2 ARG A 23 14.221 -18.262 0.371 1.00 3.14 N ATOM 0 H ARG A 23 6.740 -14.548 3.408 1.00 73.15 H new ATOM 0 HA ARG A 23 9.609 -13.976 3.768 1.00 73.14 H new ATOM 0 HB2 ARG A 23 9.163 -16.504 4.054 1.00 35.32 H new ATOM 0 HB3 ARG A 23 8.840 -16.484 2.331 1.00 35.32 H new ATOM 0 HG2 ARG A 23 11.331 -15.073 3.127 1.00 61.14 H new ATOM 0 HG3 ARG A 23 11.329 -16.789 3.482 1.00 61.14 H new ATOM 0 HD2 ARG A 23 10.497 -16.993 0.954 1.00 52.03 H new ATOM 0 HD3 ARG A 23 11.225 -15.406 0.806 1.00 52.03 H new ATOM 0 HE ARG A 23 13.218 -16.795 2.062 1.00 40.24 H new ATOM 0 HH11 ARG A 23 11.384 -17.453 -0.918 1.00 41.11 H new ATOM 0 HH12 ARG A 23 12.673 -18.454 -1.596 1.00 41.11 H new ATOM 0 HH21 ARG A 23 14.775 -18.127 1.217 1.00 3.14 H new ATOM 0 HH22 ARG A 23 14.585 -18.834 -0.391 1.00 3.14 H new ATOM 332 N ILE A 24 8.272 -12.550 1.992 1.00 4.33 N ATOM 333 CA ILE A 24 7.860 -11.727 0.860 1.00 35.30 C ATOM 334 C ILE A 24 8.962 -10.719 0.533 1.00 61.31 C ATOM 335 O ILE A 24 9.502 -10.093 1.452 1.00 23.34 O ATOM 336 CB ILE A 24 6.499 -11.083 1.203 1.00 15.00 C ATOM 337 CG1 ILE A 24 5.910 -10.346 -0.010 1.00 61.43 C ATOM 338 CG2 ILE A 24 6.567 -10.138 2.416 1.00 53.13 C ATOM 339 CD1 ILE A 24 4.386 -10.416 -0.081 1.00 73.44 C ATOM 0 H ILE A 24 8.293 -12.034 2.872 1.00 4.33 H new ATOM 0 HA ILE A 24 7.719 -12.318 -0.045 1.00 35.30 H new ATOM 0 HB ILE A 24 5.839 -11.907 1.475 1.00 15.00 H new ATOM 0 HG12 ILE A 24 6.217 -9.301 0.025 1.00 61.43 H new ATOM 0 HG13 ILE A 24 6.329 -10.771 -0.922 1.00 61.43 H new ATOM 0 HG21 ILE A 24 5.579 -9.718 2.606 1.00 53.13 H new ATOM 0 HG22 ILE A 24 6.899 -10.694 3.293 1.00 53.13 H new ATOM 0 HG23 ILE A 24 7.271 -9.332 2.210 1.00 53.13 H new ATOM 0 HD11 ILE A 24 4.038 -9.875 -0.961 1.00 73.44 H new ATOM 0 HD12 ILE A 24 4.072 -11.458 -0.147 1.00 73.44 H new ATOM 0 HD13 ILE A 24 3.959 -9.965 0.815 1.00 73.44 H new ATOM 350 N ARG A 25 9.283 -10.510 -0.750 1.00 1.23 N ATOM 351 CA ARG A 25 10.089 -9.341 -1.111 1.00 44.15 C ATOM 352 C ARG A 25 9.174 -8.125 -1.087 1.00 51.51 C ATOM 353 O ARG A 25 8.016 -8.255 -1.482 1.00 54.22 O ATOM 354 CB ARG A 25 10.701 -9.492 -2.510 1.00 73.05 C ATOM 355 CG ARG A 25 12.052 -10.224 -2.472 1.00 15.13 C ATOM 356 CD ARG A 25 12.243 -11.147 -3.679 1.00 23.34 C ATOM 357 NE ARG A 25 11.532 -12.422 -3.484 1.00 22.44 N ATOM 358 CZ ARG A 25 11.861 -13.594 -4.027 1.00 54.55 C ATOM 359 NH1 ARG A 25 12.762 -13.656 -4.998 1.00 14.34 N ATOM 360 NH2 ARG A 25 11.296 -14.696 -3.560 1.00 31.24 N ATOM 0 H ARG A 25 9.009 -11.110 -1.528 1.00 1.23 H new ATOM 0 HA ARG A 25 10.910 -9.235 -0.402 1.00 44.15 H new ATOM 0 HB2 ARG A 25 10.010 -10.040 -3.151 1.00 73.05 H new ATOM 0 HB3 ARG A 25 10.835 -8.506 -2.955 1.00 73.05 H new ATOM 0 HG2 ARG A 25 12.859 -9.492 -2.445 1.00 15.13 H new ATOM 0 HG3 ARG A 25 12.121 -10.809 -1.555 1.00 15.13 H new ATOM 0 HD2 ARG A 25 11.875 -10.655 -4.580 1.00 23.34 H new ATOM 0 HD3 ARG A 25 13.305 -11.338 -3.831 1.00 23.34 H new ATOM 0 HE ARG A 25 10.712 -12.407 -2.877 1.00 22.44 H new ATOM 0 HH11 ARG A 25 13.209 -12.803 -5.334 1.00 14.34 H new ATOM 0 HH12 ARG A 25 13.008 -14.557 -5.408 1.00 14.34 H new ATOM 0 HH21 ARG A 25 10.621 -14.639 -2.797 1.00 31.24 H new ATOM 0 HH22 ARG A 25 11.535 -15.602 -3.963 1.00 31.24 H new ATOM 371 N PRO A 26 9.676 -6.924 -0.762 1.00 54.45 N ATOM 372 CA PRO A 26 8.862 -5.719 -0.840 1.00 44.43 C ATOM 373 C PRO A 26 8.374 -5.472 -2.274 1.00 22.24 C ATOM 374 O PRO A 26 7.261 -4.984 -2.487 1.00 20.20 O ATOM 375 CB PRO A 26 9.762 -4.597 -0.329 1.00 72.32 C ATOM 376 CG PRO A 26 11.183 -5.097 -0.575 1.00 21.01 C ATOM 377 CD PRO A 26 11.050 -6.610 -0.395 1.00 71.15 C ATOM 0 HA PRO A 26 7.953 -5.794 -0.243 1.00 44.43 H new ATOM 0 HB2 PRO A 26 9.573 -3.664 -0.861 1.00 72.32 H new ATOM 0 HB3 PRO A 26 9.589 -4.401 0.729 1.00 72.32 H new ATOM 0 HG2 PRO A 26 11.535 -4.839 -1.574 1.00 21.01 H new ATOM 0 HG3 PRO A 26 11.891 -4.667 0.133 1.00 21.01 H new ATOM 0 HD2 PRO A 26 11.758 -7.145 -1.028 1.00 71.15 H new ATOM 0 HD3 PRO A 26 11.259 -6.903 0.634 1.00 71.15 H new ATOM 382 N ARG A 27 9.186 -5.850 -3.264 1.00 33.20 N ATOM 383 CA ARG A 27 8.846 -5.734 -4.671 1.00 12.23 C ATOM 384 C ARG A 27 7.692 -6.659 -5.074 1.00 31.31 C ATOM 385 O ARG A 27 7.020 -6.351 -6.054 1.00 63.33 O ATOM 386 CB ARG A 27 10.122 -5.954 -5.502 1.00 15.53 C ATOM 387 CG ARG A 27 9.932 -5.661 -7.002 1.00 12.45 C ATOM 388 CD ARG A 27 11.119 -4.904 -7.606 1.00 33.13 C ATOM 389 NE ARG A 27 12.357 -5.706 -7.626 1.00 63.00 N ATOM 390 CZ ARG A 27 12.866 -6.356 -8.681 1.00 24.33 C ATOM 391 NH1 ARG A 27 12.320 -6.246 -9.883 1.00 53.42 N ATOM 392 NH2 ARG A 27 13.936 -7.130 -8.535 1.00 61.20 N ATOM 0 H ARG A 27 10.110 -6.250 -3.101 1.00 33.20 H new ATOM 0 HA ARG A 27 8.469 -4.731 -4.872 1.00 12.23 H new ATOM 0 HB2 ARG A 27 10.915 -5.316 -5.112 1.00 15.53 H new ATOM 0 HB3 ARG A 27 10.453 -6.985 -5.380 1.00 15.53 H new ATOM 0 HG2 ARG A 27 9.793 -6.600 -7.538 1.00 12.45 H new ATOM 0 HG3 ARG A 27 9.023 -5.077 -7.143 1.00 12.45 H new ATOM 0 HD2 ARG A 27 10.871 -4.601 -8.623 1.00 33.13 H new ATOM 0 HD3 ARG A 27 11.291 -3.992 -7.035 1.00 33.13 H new ATOM 0 HE ARG A 27 12.876 -5.772 -6.751 1.00 63.00 H new ATOM 0 HH11 ARG A 27 11.497 -5.658 -10.018 1.00 53.42 H new ATOM 0 HH12 ARG A 27 12.722 -6.749 -10.674 1.00 53.42 H new ATOM 0 HH21 ARG A 27 14.372 -7.230 -7.618 1.00 61.20 H new ATOM 0 HH22 ARG A 27 14.322 -7.624 -9.340 1.00 61.20 H new ATOM 403 N ASP A 28 7.381 -7.732 -4.330 1.00 73.13 N ATOM 404 CA ASP A 28 6.260 -8.614 -4.684 1.00 64.01 C ATOM 405 C ASP A 28 4.943 -7.831 -4.609 1.00 53.14 C ATOM 406 O ASP A 28 3.978 -8.155 -5.308 1.00 44.32 O ATOM 407 CB ASP A 28 6.144 -9.842 -3.750 1.00 44.30 C ATOM 408 CG ASP A 28 7.293 -10.856 -3.803 1.00 52.35 C ATOM 409 OD1 ASP A 28 8.082 -10.849 -4.769 1.00 13.41 O ATOM 410 OD2 ASP A 28 7.377 -11.727 -2.896 1.00 52.04 O ATOM 0 H ASP A 28 7.885 -8.007 -3.487 1.00 73.13 H new ATOM 0 HA ASP A 28 6.453 -8.973 -5.695 1.00 64.01 H new ATOM 0 HB2 ASP A 28 6.054 -9.483 -2.725 1.00 44.30 H new ATOM 0 HB3 ASP A 28 5.217 -10.364 -3.988 1.00 44.30 H new ATOM 414 N LEU A 29 4.889 -6.816 -3.739 1.00 52.31 N ATOM 415 CA LEU A 29 3.712 -5.990 -3.528 1.00 4.12 C ATOM 416 C LEU A 29 3.581 -4.981 -4.662 1.00 51.11 C ATOM 417 O LEU A 29 2.494 -4.847 -5.224 1.00 41.13 O ATOM 418 CB LEU A 29 3.762 -5.276 -2.160 1.00 54.41 C ATOM 419 CG LEU A 29 3.750 -6.178 -0.906 1.00 14.32 C ATOM 420 CD1 LEU A 29 2.756 -7.332 -1.020 1.00 75.13 C ATOM 421 CD2 LEU A 29 5.114 -6.769 -0.540 1.00 20.31 C ATOM 0 H LEU A 29 5.681 -6.547 -3.155 1.00 52.31 H new ATOM 0 HA LEU A 29 2.834 -6.636 -3.524 1.00 4.12 H new ATOM 0 HB2 LEU A 29 4.662 -4.662 -2.129 1.00 54.41 H new ATOM 0 HB3 LEU A 29 2.911 -4.597 -2.099 1.00 54.41 H new ATOM 0 HG LEU A 29 3.446 -5.495 -0.113 1.00 14.32 H new ATOM 0 HD11 LEU A 29 2.790 -7.933 -0.111 1.00 75.13 H new ATOM 0 HD12 LEU A 29 1.750 -6.934 -1.154 1.00 75.13 H new ATOM 0 HD13 LEU A 29 3.017 -7.954 -1.876 1.00 75.13 H new ATOM 0 HD21 LEU A 29 5.015 -7.388 0.351 1.00 20.31 H new ATOM 0 HD22 LEU A 29 5.480 -7.378 -1.366 1.00 20.31 H new ATOM 0 HD23 LEU A 29 5.820 -5.962 -0.344 1.00 20.31 H new ATOM 432 N GLU A 30 4.664 -4.274 -4.998 1.00 74.32 N ATOM 433 CA GLU A 30 4.624 -3.235 -6.013 1.00 14.33 C ATOM 434 C GLU A 30 4.388 -3.833 -7.400 1.00 2.33 C ATOM 435 O GLU A 30 3.656 -3.247 -8.203 1.00 52.30 O ATOM 436 CB GLU A 30 5.885 -2.361 -5.946 1.00 51.42 C ATOM 437 CG GLU A 30 7.081 -2.848 -6.767 1.00 20.13 C ATOM 438 CD GLU A 30 8.298 -1.947 -6.578 1.00 74.14 C ATOM 439 OE1 GLU A 30 8.231 -0.773 -6.997 1.00 51.23 O ATOM 440 OE2 GLU A 30 9.312 -2.426 -6.019 1.00 31.24 O ATOM 0 H GLU A 30 5.582 -4.409 -4.574 1.00 74.32 H new ATOM 0 HA GLU A 30 3.777 -2.580 -5.811 1.00 14.33 H new ATOM 0 HB2 GLU A 30 5.625 -1.356 -6.279 1.00 51.42 H new ATOM 0 HB3 GLU A 30 6.193 -2.281 -4.904 1.00 51.42 H new ATOM 0 HG2 GLU A 30 7.333 -3.867 -6.474 1.00 20.13 H new ATOM 0 HG3 GLU A 30 6.810 -2.878 -7.822 1.00 20.13 H new ATOM 445 N GLU A 31 4.978 -5.003 -7.668 1.00 33.32 N ATOM 446 CA GLU A 31 4.841 -5.706 -8.929 1.00 41.12 C ATOM 447 C GLU A 31 3.407 -6.173 -9.150 1.00 72.02 C ATOM 448 O GLU A 31 2.916 -6.049 -10.267 1.00 55.31 O ATOM 449 CB GLU A 31 5.819 -6.889 -8.995 1.00 3.31 C ATOM 450 CG GLU A 31 7.199 -6.448 -9.505 1.00 64.02 C ATOM 451 CD GLU A 31 7.163 -6.180 -11.018 1.00 44.24 C ATOM 452 OE1 GLU A 31 7.199 -7.147 -11.806 1.00 33.41 O ATOM 453 OE2 GLU A 31 7.028 -5.002 -11.444 1.00 31.11 O ATOM 0 H GLU A 31 5.573 -5.489 -6.997 1.00 33.32 H new ATOM 0 HA GLU A 31 5.088 -5.010 -9.731 1.00 41.12 H new ATOM 0 HB2 GLU A 31 5.921 -7.335 -8.005 1.00 3.31 H new ATOM 0 HB3 GLU A 31 5.416 -7.660 -9.652 1.00 3.31 H new ATOM 0 HG2 GLU A 31 7.515 -5.547 -8.979 1.00 64.02 H new ATOM 0 HG3 GLU A 31 7.936 -7.220 -9.286 1.00 64.02 H new ATOM 458 N PHE A 32 2.729 -6.664 -8.109 1.00 51.04 N ATOM 459 CA PHE A 32 1.320 -7.051 -8.205 1.00 3.43 C ATOM 460 C PHE A 32 0.472 -5.862 -8.675 1.00 55.24 C ATOM 461 O PHE A 32 -0.334 -5.993 -9.593 1.00 54.00 O ATOM 462 CB PHE A 32 0.833 -7.603 -6.861 1.00 34.35 C ATOM 463 CG PHE A 32 -0.646 -7.945 -6.838 1.00 1.43 C ATOM 464 CD1 PHE A 32 -1.241 -8.547 -7.962 1.00 51.40 C ATOM 465 CD2 PHE A 32 -1.448 -7.590 -5.737 1.00 32.15 C ATOM 466 CE1 PHE A 32 -2.624 -8.752 -8.001 1.00 53.23 C ATOM 467 CE2 PHE A 32 -2.832 -7.829 -5.764 1.00 13.25 C ATOM 468 CZ PHE A 32 -3.425 -8.407 -6.899 1.00 32.11 C ATOM 0 H PHE A 32 3.137 -6.803 -7.185 1.00 51.04 H new ATOM 0 HA PHE A 32 1.213 -7.843 -8.947 1.00 3.43 H new ATOM 0 HB2 PHE A 32 1.407 -8.497 -6.617 1.00 34.35 H new ATOM 0 HB3 PHE A 32 1.039 -6.869 -6.082 1.00 34.35 H new ATOM 0 HD1 PHE A 32 -0.628 -8.852 -8.797 1.00 51.40 H new ATOM 0 HD2 PHE A 32 -0.998 -7.132 -4.869 1.00 32.15 H new ATOM 0 HE1 PHE A 32 -3.079 -9.178 -8.883 1.00 53.23 H new ATOM 0 HE2 PHE A 32 -3.441 -7.568 -4.911 1.00 13.25 H new ATOM 0 HZ PHE A 32 -4.490 -8.585 -6.924 1.00 32.11 H new ATOM 477 N PHE A 33 0.681 -4.682 -8.092 1.00 63.51 N ATOM 478 CA PHE A 33 -0.060 -3.499 -8.512 1.00 73.14 C ATOM 479 C PHE A 33 0.320 -3.033 -9.930 1.00 32.41 C ATOM 480 O PHE A 33 -0.504 -2.424 -10.616 1.00 62.30 O ATOM 481 CB PHE A 33 0.165 -2.372 -7.504 1.00 63.30 C ATOM 482 CG PHE A 33 -0.278 -2.622 -6.071 1.00 40.24 C ATOM 483 CD1 PHE A 33 -1.522 -3.224 -5.793 1.00 22.33 C ATOM 484 CD2 PHE A 33 0.525 -2.163 -5.006 1.00 2.32 C ATOM 485 CE1 PHE A 33 -1.985 -3.316 -4.468 1.00 64.21 C ATOM 486 CE2 PHE A 33 0.065 -2.259 -3.683 1.00 64.43 C ATOM 487 CZ PHE A 33 -1.202 -2.804 -3.418 1.00 72.42 C ATOM 0 H PHE A 33 1.349 -4.523 -7.338 1.00 63.51 H new ATOM 0 HA PHE A 33 -1.116 -3.766 -8.543 1.00 73.14 H new ATOM 0 HB2 PHE A 33 1.229 -2.137 -7.492 1.00 63.30 H new ATOM 0 HB3 PHE A 33 -0.353 -1.485 -7.868 1.00 63.30 H new ATOM 0 HD1 PHE A 33 -2.122 -3.616 -6.601 1.00 22.33 H new ATOM 0 HD2 PHE A 33 1.496 -1.737 -5.209 1.00 2.32 H new ATOM 0 HE1 PHE A 33 -2.938 -3.778 -4.258 1.00 64.21 H new ATOM 0 HE2 PHE A 33 0.685 -1.914 -2.869 1.00 64.43 H new ATOM 0 HZ PHE A 33 -1.576 -2.830 -2.405 1.00 72.42 H new ATOM 496 N SER A 34 1.543 -3.327 -10.385 1.00 64.42 N ATOM 497 CA SER A 34 2.103 -2.835 -11.645 1.00 32.11 C ATOM 498 C SER A 34 1.299 -3.287 -12.869 1.00 32.13 C ATOM 499 O SER A 34 1.419 -2.676 -13.934 1.00 23.04 O ATOM 500 CB SER A 34 3.571 -3.270 -11.767 1.00 72.23 C ATOM 501 OG SER A 34 4.411 -2.225 -12.217 1.00 31.33 O ATOM 0 H SER A 34 2.186 -3.930 -9.872 1.00 64.42 H new ATOM 0 HA SER A 34 2.045 -1.747 -11.624 1.00 32.11 H new ATOM 0 HB2 SER A 34 3.923 -3.623 -10.798 1.00 72.23 H new ATOM 0 HB3 SER A 34 3.641 -4.111 -12.457 1.00 72.23 H new ATOM 0 HG SER A 34 5.334 -2.550 -12.277 1.00 31.33 H new ATOM 506 N THR A 35 0.416 -4.285 -12.732 1.00 0.24 N ATOM 507 CA THR A 35 -0.461 -4.711 -13.828 1.00 62.43 C ATOM 508 C THR A 35 -1.402 -3.581 -14.274 1.00 14.34 C ATOM 509 O THR A 35 -1.933 -3.620 -15.384 1.00 34.22 O ATOM 510 CB THR A 35 -1.212 -6.006 -13.446 1.00 44.10 C ATOM 511 OG1 THR A 35 -1.996 -6.518 -14.506 1.00 3.15 O ATOM 512 CG2 THR A 35 -2.176 -5.825 -12.274 1.00 51.22 C ATOM 0 H THR A 35 0.291 -4.814 -11.869 1.00 0.24 H new ATOM 0 HA THR A 35 0.156 -4.942 -14.696 1.00 62.43 H new ATOM 0 HB THR A 35 -0.407 -6.691 -13.181 1.00 44.10 H new ATOM 0 HG1 THR A 35 -2.448 -7.337 -14.213 1.00 3.15 H new ATOM 0 HG21 THR A 35 -2.669 -6.773 -12.059 1.00 51.22 H new ATOM 0 HG22 THR A 35 -1.622 -5.497 -11.395 1.00 51.22 H new ATOM 0 HG23 THR A 35 -2.925 -5.076 -12.531 1.00 51.22 H new ATOM 520 N VAL A 36 -1.599 -2.557 -13.441 1.00 11.14 N ATOM 521 CA VAL A 36 -2.433 -1.402 -13.746 1.00 42.40 C ATOM 522 C VAL A 36 -1.797 -0.122 -13.191 1.00 62.20 C ATOM 523 O VAL A 36 -2.528 0.826 -12.892 1.00 24.45 O ATOM 524 CB VAL A 36 -3.882 -1.635 -13.239 1.00 11.43 C ATOM 525 CG1 VAL A 36 -4.667 -2.590 -14.148 1.00 43.24 C ATOM 526 CG2 VAL A 36 -3.935 -2.159 -11.792 1.00 21.21 C ATOM 0 H VAL A 36 -1.172 -2.511 -12.516 1.00 11.14 H new ATOM 0 HA VAL A 36 -2.498 -1.272 -14.826 1.00 42.40 H new ATOM 0 HB VAL A 36 -4.351 -0.651 -13.264 1.00 11.43 H new ATOM 0 HG11 VAL A 36 -5.674 -2.722 -13.753 1.00 43.24 H new ATOM 0 HG12 VAL A 36 -4.723 -2.172 -15.153 1.00 43.24 H new ATOM 0 HG13 VAL A 36 -4.162 -3.555 -14.184 1.00 43.24 H new ATOM 0 HG21 VAL A 36 -4.974 -2.302 -11.495 1.00 21.21 H new ATOM 0 HG22 VAL A 36 -3.405 -3.110 -11.730 1.00 21.21 H new ATOM 0 HG23 VAL A 36 -3.463 -1.437 -11.126 1.00 21.21 H new ATOM 536 N GLY A 37 -0.474 -0.060 -12.988 1.00 14.53 N ATOM 537 CA GLY A 37 0.114 1.137 -12.409 1.00 72.04 C ATOM 538 C GLY A 37 1.623 1.104 -12.239 1.00 31.05 C ATOM 539 O GLY A 37 2.330 0.343 -12.902 1.00 4.34 O ATOM 0 H GLY A 37 0.186 -0.805 -13.211 1.00 14.53 H new ATOM 0 HA2 GLY A 37 -0.145 1.989 -13.037 1.00 72.04 H new ATOM 0 HA3 GLY A 37 -0.341 1.310 -11.434 1.00 72.04 H new ATOM 543 N LYS A 38 2.108 2.006 -11.383 1.00 55.31 N ATOM 544 CA LYS A 38 3.497 2.133 -10.956 1.00 34.14 C ATOM 545 C LYS A 38 3.521 2.661 -9.520 1.00 74.43 C ATOM 546 O LYS A 38 2.675 3.485 -9.152 1.00 75.32 O ATOM 547 CB LYS A 38 4.274 3.050 -11.919 1.00 1.54 C ATOM 548 CG LYS A 38 3.618 4.423 -12.160 1.00 54.43 C ATOM 549 CD LYS A 38 4.507 5.405 -12.932 1.00 51.12 C ATOM 550 CE LYS A 38 4.667 5.042 -14.413 1.00 44.41 C ATOM 551 NZ LYS A 38 5.726 4.039 -14.661 1.00 15.11 N ATOM 0 H LYS A 38 1.506 2.705 -10.947 1.00 55.31 H new ATOM 0 HA LYS A 38 3.989 1.161 -10.979 1.00 34.14 H new ATOM 0 HB2 LYS A 38 5.278 3.205 -11.523 1.00 1.54 H new ATOM 0 HB3 LYS A 38 4.384 2.541 -12.876 1.00 1.54 H new ATOM 0 HG2 LYS A 38 2.688 4.280 -12.710 1.00 54.43 H new ATOM 0 HG3 LYS A 38 3.355 4.864 -11.198 1.00 54.43 H new ATOM 0 HD2 LYS A 38 4.083 6.406 -12.854 1.00 51.12 H new ATOM 0 HD3 LYS A 38 5.491 5.438 -12.465 1.00 51.12 H new ATOM 0 HE2 LYS A 38 3.719 4.659 -14.790 1.00 44.41 H new ATOM 0 HE3 LYS A 38 4.893 5.946 -14.979 1.00 44.41 H new ATOM 0 HZ1 LYS A 38 6.239 4.284 -15.532 1.00 15.11 H new ATOM 0 HZ2 LYS A 38 6.389 4.029 -13.860 1.00 15.11 H new ATOM 0 HZ3 LYS A 38 5.295 3.098 -14.765 1.00 15.11 H new ATOM 561 N VAL A 39 4.506 2.225 -8.741 1.00 64.31 N ATOM 562 CA VAL A 39 4.796 2.638 -7.373 1.00 23.01 C ATOM 563 C VAL A 39 5.973 3.610 -7.414 1.00 73.03 C ATOM 564 O VAL A 39 6.816 3.567 -8.309 1.00 20.45 O ATOM 565 CB VAL A 39 5.042 1.359 -6.541 1.00 42.51 C ATOM 566 CG1 VAL A 39 5.715 1.530 -5.176 1.00 60.41 C ATOM 567 CG2 VAL A 39 3.693 0.664 -6.319 1.00 51.52 C ATOM 0 H VAL A 39 5.169 1.524 -9.073 1.00 64.31 H new ATOM 0 HA VAL A 39 3.975 3.171 -6.894 1.00 23.01 H new ATOM 0 HB VAL A 39 5.753 0.782 -7.132 1.00 42.51 H new ATOM 0 HG11 VAL A 39 5.827 0.555 -4.701 1.00 60.41 H new ATOM 0 HG12 VAL A 39 6.697 1.983 -5.309 1.00 60.41 H new ATOM 0 HG13 VAL A 39 5.101 2.173 -4.546 1.00 60.41 H new ATOM 0 HG21 VAL A 39 3.843 -0.243 -5.733 1.00 51.52 H new ATOM 0 HG22 VAL A 39 3.022 1.335 -5.784 1.00 51.52 H new ATOM 0 HG23 VAL A 39 3.254 0.405 -7.283 1.00 51.52 H new ATOM 577 N ARG A 40 6.004 4.525 -6.450 1.00 14.51 N ATOM 578 CA ARG A 40 7.096 5.452 -6.197 1.00 1.41 C ATOM 579 C ARG A 40 8.174 4.749 -5.384 1.00 73.32 C ATOM 580 O ARG A 40 9.330 4.737 -5.808 1.00 64.33 O ATOM 581 CB ARG A 40 6.523 6.694 -5.511 1.00 2.15 C ATOM 582 CG ARG A 40 7.525 7.483 -4.673 1.00 61.21 C ATOM 583 CD ARG A 40 6.900 8.851 -4.425 1.00 33.01 C ATOM 584 NE ARG A 40 7.490 9.491 -3.248 1.00 34.23 N ATOM 585 CZ ARG A 40 8.454 10.409 -3.205 1.00 71.24 C ATOM 586 NH1 ARG A 40 9.028 10.875 -4.308 1.00 53.24 N ATOM 587 NH2 ARG A 40 8.841 10.852 -2.020 1.00 40.51 N ATOM 0 H ARG A 40 5.231 4.644 -5.795 1.00 14.51 H new ATOM 0 HA ARG A 40 7.572 5.780 -7.121 1.00 1.41 H new ATOM 0 HB2 ARG A 40 6.109 7.354 -6.273 1.00 2.15 H new ATOM 0 HB3 ARG A 40 5.696 6.389 -4.870 1.00 2.15 H new ATOM 0 HG2 ARG A 40 7.729 6.973 -3.731 1.00 61.21 H new ATOM 0 HG3 ARG A 40 8.476 7.580 -5.196 1.00 61.21 H new ATOM 0 HD2 ARG A 40 7.045 9.485 -5.300 1.00 33.01 H new ATOM 0 HD3 ARG A 40 5.824 8.743 -4.284 1.00 33.01 H new ATOM 0 HE ARG A 40 7.115 9.196 -2.346 1.00 34.23 H new ATOM 0 HH11 ARG A 40 8.733 10.530 -5.221 1.00 53.24 H new ATOM 0 HH12 ARG A 40 9.764 11.578 -4.242 1.00 53.24 H new ATOM 0 HH21 ARG A 40 8.403 10.490 -1.173 1.00 40.51 H new ATOM 0 HH22 ARG A 40 9.577 11.555 -1.954 1.00 40.51 H new ATOM 598 N ASP A 41 7.816 4.211 -4.217 1.00 72.23 N ATOM 599 CA ASP A 41 8.756 3.532 -3.324 1.00 62.14 C ATOM 600 C ASP A 41 7.980 2.622 -2.381 1.00 35.21 C ATOM 601 O ASP A 41 6.941 3.006 -1.843 1.00 23.32 O ATOM 602 CB ASP A 41 9.591 4.548 -2.519 1.00 33.21 C ATOM 603 CG ASP A 41 10.737 3.902 -1.718 1.00 22.41 C ATOM 604 OD1 ASP A 41 11.184 2.791 -2.048 1.00 21.04 O ATOM 605 OD2 ASP A 41 11.248 4.583 -0.775 1.00 55.45 O ATOM 0 H ASP A 41 6.860 4.234 -3.863 1.00 72.23 H new ATOM 0 HA ASP A 41 9.446 2.938 -3.924 1.00 62.14 H new ATOM 0 HB2 ASP A 41 10.008 5.287 -3.203 1.00 33.21 H new ATOM 0 HB3 ASP A 41 8.935 5.083 -1.833 1.00 33.21 H new ATOM 609 N VAL A 42 8.465 1.397 -2.211 1.00 63.12 N ATOM 610 CA VAL A 42 8.108 0.466 -1.150 1.00 51.51 C ATOM 611 C VAL A 42 8.572 0.983 0.224 1.00 13.10 C ATOM 612 O VAL A 42 9.441 1.848 0.318 1.00 15.11 O ATOM 613 CB VAL A 42 8.716 -0.915 -1.482 1.00 32.10 C ATOM 614 CG1 VAL A 42 8.049 -1.540 -2.718 1.00 72.01 C ATOM 615 CG2 VAL A 42 10.232 -0.868 -1.744 1.00 62.15 C ATOM 0 H VAL A 42 9.159 1.006 -2.848 1.00 63.12 H new ATOM 0 HA VAL A 42 7.024 0.372 -1.091 1.00 51.51 H new ATOM 0 HB VAL A 42 8.532 -1.520 -0.594 1.00 32.10 H new ATOM 0 HG11 VAL A 42 8.501 -2.511 -2.923 1.00 72.01 H new ATOM 0 HG12 VAL A 42 6.983 -1.668 -2.530 1.00 72.01 H new ATOM 0 HG13 VAL A 42 8.190 -0.885 -3.578 1.00 72.01 H new ATOM 0 HG21 VAL A 42 10.593 -1.871 -1.971 1.00 62.15 H new ATOM 0 HG22 VAL A 42 10.435 -0.210 -2.589 1.00 62.15 H new ATOM 0 HG23 VAL A 42 10.743 -0.490 -0.858 1.00 62.15 H new ATOM 625 N ARG A 43 8.014 0.439 1.305 1.00 13.32 N ATOM 626 CA ARG A 43 8.219 0.827 2.698 1.00 35.30 C ATOM 627 C ARG A 43 7.681 -0.310 3.588 1.00 20.10 C ATOM 628 O ARG A 43 6.467 -0.547 3.597 1.00 14.42 O ATOM 629 CB ARG A 43 7.455 2.148 2.971 1.00 24.12 C ATOM 630 CG ARG A 43 8.290 3.263 3.593 1.00 42.52 C ATOM 631 CD ARG A 43 9.093 4.077 2.568 1.00 61.15 C ATOM 632 NE ARG A 43 9.685 5.263 3.211 1.00 62.43 N ATOM 633 CZ ARG A 43 9.017 6.386 3.505 1.00 75.03 C ATOM 634 NH1 ARG A 43 7.875 6.686 2.895 1.00 3.23 N ATOM 635 NH2 ARG A 43 9.492 7.209 4.431 1.00 12.42 N ATOM 0 H ARG A 43 7.360 -0.340 1.223 1.00 13.32 H new ATOM 0 HA ARG A 43 9.275 0.990 2.913 1.00 35.30 H new ATOM 0 HB2 ARG A 43 7.038 2.509 2.031 1.00 24.12 H new ATOM 0 HB3 ARG A 43 6.615 1.934 3.631 1.00 24.12 H new ATOM 0 HG2 ARG A 43 7.631 3.936 4.142 1.00 42.52 H new ATOM 0 HG3 ARG A 43 8.978 2.828 4.318 1.00 42.52 H new ATOM 0 HD2 ARG A 43 9.879 3.458 2.137 1.00 61.15 H new ATOM 0 HD3 ARG A 43 8.444 4.385 1.748 1.00 61.15 H new ATOM 0 HE ARG A 43 10.676 5.226 3.450 1.00 62.43 H new ATOM 0 HH11 ARG A 43 7.493 6.056 2.189 1.00 3.23 H new ATOM 0 HH12 ARG A 43 7.381 7.546 3.132 1.00 3.23 H new ATOM 0 HH21 ARG A 43 10.362 6.985 4.915 1.00 12.42 H new ATOM 0 HH22 ARG A 43 8.988 8.066 4.659 1.00 12.42 H new ATOM 646 N MET A 44 8.526 -1.041 4.314 1.00 2.50 N ATOM 647 CA MET A 44 8.080 -2.100 5.218 1.00 43.12 C ATOM 648 C MET A 44 8.444 -1.761 6.662 1.00 14.52 C ATOM 649 O MET A 44 9.463 -1.131 6.930 1.00 43.42 O ATOM 650 CB MET A 44 8.605 -3.467 4.769 1.00 2.51 C ATOM 651 CG MET A 44 10.119 -3.636 4.905 1.00 75.03 C ATOM 652 SD MET A 44 10.688 -5.357 4.882 1.00 63.33 S ATOM 653 CE MET A 44 10.249 -5.798 3.188 1.00 75.43 C ATOM 0 H MET A 44 9.538 -0.916 4.292 1.00 2.50 H new ATOM 0 HA MET A 44 6.993 -2.166 5.176 1.00 43.12 H new ATOM 0 HB2 MET A 44 8.111 -4.243 5.354 1.00 2.51 H new ATOM 0 HB3 MET A 44 8.326 -3.626 3.728 1.00 2.51 H new ATOM 0 HG2 MET A 44 10.607 -3.094 4.094 1.00 75.03 H new ATOM 0 HG3 MET A 44 10.441 -3.172 5.837 1.00 75.03 H new ATOM 0 HE1 MET A 44 10.497 -6.844 3.008 1.00 75.43 H new ATOM 0 HE2 MET A 44 9.180 -5.648 3.038 1.00 75.43 H new ATOM 0 HE3 MET A 44 10.804 -5.169 2.493 1.00 75.43 H new ATOM 661 N ILE A 45 7.607 -2.199 7.604 1.00 31.24 N ATOM 662 CA ILE A 45 7.648 -1.728 8.988 1.00 4.52 C ATOM 663 C ILE A 45 8.580 -2.657 9.774 1.00 1.53 C ATOM 664 O ILE A 45 8.125 -3.548 10.503 1.00 34.23 O ATOM 665 CB ILE A 45 6.232 -1.597 9.616 1.00 52.01 C ATOM 666 CG1 ILE A 45 5.198 -0.818 8.767 1.00 15.10 C ATOM 667 CG2 ILE A 45 6.327 -0.869 10.971 1.00 42.25 C ATOM 668 CD1 ILE A 45 4.690 -1.608 7.558 1.00 4.04 C ATOM 0 H ILE A 45 6.880 -2.892 7.427 1.00 31.24 H new ATOM 0 HA ILE A 45 8.046 -0.714 9.024 1.00 4.52 H new ATOM 0 HB ILE A 45 5.881 -2.625 9.700 1.00 52.01 H new ATOM 0 HG12 ILE A 45 4.351 -0.547 9.397 1.00 15.10 H new ATOM 0 HG13 ILE A 45 5.649 0.112 8.421 1.00 15.10 H new ATOM 0 HG21 ILE A 45 5.332 -0.780 11.407 1.00 42.25 H new ATOM 0 HG22 ILE A 45 6.969 -1.437 11.645 1.00 42.25 H new ATOM 0 HG23 ILE A 45 6.748 0.125 10.821 1.00 42.25 H new ATOM 0 HD11 ILE A 45 3.969 -1.005 7.006 1.00 4.04 H new ATOM 0 HD12 ILE A 45 5.528 -1.857 6.907 1.00 4.04 H new ATOM 0 HD13 ILE A 45 4.210 -2.526 7.898 1.00 4.04 H new ATOM 679 N SER A 46 9.886 -2.453 9.617 1.00 43.51 N ATOM 680 CA SER A 46 10.924 -3.249 10.265 1.00 71.34 C ATOM 681 C SER A 46 11.435 -2.655 11.584 1.00 73.41 C ATOM 682 O SER A 46 12.384 -3.181 12.170 1.00 54.14 O ATOM 683 CB SER A 46 12.055 -3.515 9.272 1.00 72.34 C ATOM 684 OG SER A 46 11.566 -4.210 8.140 1.00 13.51 O ATOM 0 H SER A 46 10.260 -1.713 9.022 1.00 43.51 H new ATOM 0 HA SER A 46 10.472 -4.197 10.557 1.00 71.34 H new ATOM 0 HB2 SER A 46 12.504 -2.572 8.961 1.00 72.34 H new ATOM 0 HB3 SER A 46 12.840 -4.098 9.753 1.00 72.34 H new ATOM 0 HG SER A 46 12.301 -4.372 7.513 1.00 13.51 H new ATOM 689 N ASP A 47 10.775 -1.622 12.101 1.00 51.12 N ATOM 690 CA ASP A 47 11.092 -0.976 13.387 1.00 40.55 C ATOM 691 C ASP A 47 10.499 -1.725 14.591 1.00 41.15 C ATOM 692 O ASP A 47 10.539 -1.226 15.714 1.00 15.24 O ATOM 693 CB ASP A 47 10.567 0.470 13.384 1.00 71.14 C ATOM 694 CG ASP A 47 11.096 1.304 14.562 1.00 22.02 C ATOM 695 OD1 ASP A 47 12.288 1.163 14.922 1.00 11.51 O ATOM 696 OD2 ASP A 47 10.331 2.152 15.082 1.00 33.22 O ATOM 0 H ASP A 47 9.980 -1.193 11.628 1.00 51.12 H new ATOM 0 HA ASP A 47 12.177 -0.992 13.492 1.00 40.55 H new ATOM 0 HB2 ASP A 47 10.851 0.952 12.448 1.00 71.14 H new ATOM 0 HB3 ASP A 47 9.478 0.455 13.417 1.00 71.14 H new ATOM 700 N ARG A 48 9.904 -2.908 14.381 1.00 42.52 N ATOM 701 CA ARG A 48 8.817 -3.428 15.218 1.00 44.43 C ATOM 702 C ARG A 48 7.644 -2.437 15.199 1.00 44.31 C ATOM 703 O ARG A 48 7.487 -1.705 14.222 1.00 61.43 O ATOM 704 CB ARG A 48 9.287 -3.867 16.618 1.00 40.45 C ATOM 705 CG ARG A 48 10.321 -5.003 16.610 1.00 72.13 C ATOM 706 CD ARG A 48 10.714 -5.282 18.064 1.00 40.45 C ATOM 707 NE ARG A 48 11.150 -6.667 18.293 1.00 71.51 N ATOM 708 CZ ARG A 48 10.924 -7.380 19.405 1.00 62.42 C ATOM 709 NH1 ARG A 48 10.341 -6.823 20.468 1.00 62.14 N ATOM 710 NH2 ARG A 48 11.291 -8.658 19.435 1.00 74.24 N ATOM 0 H ARG A 48 10.167 -3.534 13.620 1.00 42.52 H new ATOM 0 HA ARG A 48 8.449 -4.361 14.792 1.00 44.43 H new ATOM 0 HB2 ARG A 48 9.715 -3.006 17.132 1.00 40.45 H new ATOM 0 HB3 ARG A 48 8.420 -4.185 17.197 1.00 40.45 H new ATOM 0 HG2 ARG A 48 9.903 -5.898 16.148 1.00 72.13 H new ATOM 0 HG3 ARG A 48 11.196 -4.720 16.024 1.00 72.13 H new ATOM 0 HD2 ARG A 48 11.517 -4.603 18.353 1.00 40.45 H new ATOM 0 HD3 ARG A 48 9.864 -5.064 18.711 1.00 40.45 H new ATOM 0 HE ARG A 48 11.668 -7.124 17.542 1.00 71.51 H new ATOM 0 HH11 ARG A 48 10.061 -5.843 20.441 1.00 62.14 H new ATOM 0 HH12 ARG A 48 10.175 -7.378 21.308 1.00 62.14 H new ATOM 0 HH21 ARG A 48 11.737 -9.080 18.620 1.00 74.24 H new ATOM 0 HH22 ARG A 48 11.127 -9.216 20.273 1.00 74.24 H new ATOM 721 N ASN A 49 6.699 -2.572 16.137 1.00 33.50 N ATOM 722 CA ASN A 49 5.361 -1.944 16.138 1.00 61.41 C ATOM 723 C ASN A 49 4.482 -2.407 17.312 1.00 41.12 C ATOM 724 O ASN A 49 3.350 -1.937 17.434 1.00 64.32 O ATOM 725 CB ASN A 49 4.585 -2.191 14.831 1.00 15.10 C ATOM 726 CG ASN A 49 4.653 -3.634 14.384 1.00 72.23 C ATOM 727 OD1 ASN A 49 4.073 -4.517 15.008 1.00 11.41 O ATOM 728 ND2 ASN A 49 5.434 -3.885 13.346 1.00 51.12 N ATOM 0 H ASN A 49 6.850 -3.152 16.962 1.00 33.50 H new ATOM 0 HA ASN A 49 5.566 -0.878 16.241 1.00 61.41 H new ATOM 0 HB2 ASN A 49 3.542 -1.906 14.971 1.00 15.10 H new ATOM 0 HB3 ASN A 49 4.988 -1.551 14.046 1.00 15.10 H new ATOM 0 HD21 ASN A 49 5.574 -4.846 13.034 1.00 51.12 H new ATOM 0 HD22 ASN A 49 5.896 -3.118 12.858 1.00 51.12 H new ATOM 734 N SER A 50 4.963 -3.319 18.168 1.00 51.41 N ATOM 735 CA SER A 50 4.273 -3.790 19.369 1.00 60.12 C ATOM 736 C SER A 50 2.952 -4.533 19.097 1.00 32.53 C ATOM 737 O SER A 50 2.164 -4.728 20.028 1.00 64.14 O ATOM 738 CB SER A 50 4.099 -2.603 20.331 1.00 61.11 C ATOM 739 OG SER A 50 4.215 -2.976 21.693 1.00 55.11 O ATOM 0 H SER A 50 5.873 -3.761 18.036 1.00 51.41 H new ATOM 0 HA SER A 50 4.897 -4.554 19.834 1.00 60.12 H new ATOM 0 HB2 SER A 50 4.847 -1.844 20.102 1.00 61.11 H new ATOM 0 HB3 SER A 50 3.122 -2.148 20.166 1.00 61.11 H new ATOM 0 HG SER A 50 4.098 -2.185 22.260 1.00 55.11 H new ATOM 744 N ARG A 51 2.675 -4.988 17.870 1.00 54.32 N ATOM 745 CA ARG A 51 1.430 -5.693 17.547 1.00 53.42 C ATOM 746 C ARG A 51 1.775 -6.927 16.732 1.00 42.01 C ATOM 747 O ARG A 51 1.536 -8.040 17.192 1.00 61.23 O ATOM 748 CB ARG A 51 0.470 -4.736 16.821 1.00 62.34 C ATOM 749 CG ARG A 51 -1.029 -5.094 16.745 1.00 2.31 C ATOM 750 CD ARG A 51 -1.523 -6.540 16.918 1.00 32.12 C ATOM 751 NE ARG A 51 -1.312 -7.111 18.263 1.00 15.11 N ATOM 752 CZ ARG A 51 -1.755 -6.691 19.459 1.00 33.50 C ATOM 753 NH1 ARG A 51 -2.485 -5.585 19.593 1.00 12.12 N ATOM 754 NH2 ARG A 51 -1.432 -7.393 20.540 1.00 73.34 N ATOM 0 H ARG A 51 3.305 -4.878 17.076 1.00 54.32 H new ATOM 0 HA ARG A 51 0.914 -6.025 18.448 1.00 53.42 H new ATOM 0 HB2 ARG A 51 0.551 -3.761 17.302 1.00 62.34 H new ATOM 0 HB3 ARG A 51 0.832 -4.619 15.800 1.00 62.34 H new ATOM 0 HG2 ARG A 51 -1.536 -4.494 17.501 1.00 2.31 H new ATOM 0 HG3 ARG A 51 -1.387 -4.752 15.774 1.00 2.31 H new ATOM 0 HD2 ARG A 51 -2.588 -6.575 16.687 1.00 32.12 H new ATOM 0 HD3 ARG A 51 -1.017 -7.171 16.187 1.00 32.12 H new ATOM 0 HE ARG A 51 -0.741 -7.956 18.288 1.00 15.11 H new ATOM 0 HH11 ARG A 51 -2.724 -5.029 18.772 1.00 12.12 H new ATOM 0 HH12 ARG A 51 -2.806 -5.294 20.517 1.00 12.12 H new ATOM 0 HH21 ARG A 51 -0.859 -8.232 20.451 1.00 73.34 H new ATOM 0 HH22 ARG A 51 -1.757 -7.093 21.459 1.00 73.34 H new ATOM 765 N ARG A 52 2.451 -6.725 15.601 1.00 4.33 N ATOM 766 CA ARG A 52 2.947 -7.723 14.665 1.00 75.31 C ATOM 767 C ARG A 52 1.803 -8.546 14.097 1.00 52.42 C ATOM 768 O ARG A 52 1.702 -9.759 14.290 1.00 53.04 O ATOM 769 CB ARG A 52 4.090 -8.556 15.264 1.00 32.10 C ATOM 770 CG ARG A 52 5.282 -7.709 15.734 1.00 22.14 C ATOM 771 CD ARG A 52 6.146 -7.156 14.585 1.00 33.31 C ATOM 772 NE ARG A 52 7.467 -7.794 14.581 1.00 55.23 N ATOM 773 CZ ARG A 52 8.582 -7.359 13.988 1.00 21.44 C ATOM 774 NH1 ARG A 52 8.569 -6.361 13.117 1.00 62.41 N ATOM 775 NH2 ARG A 52 9.728 -7.932 14.304 1.00 12.43 N ATOM 0 H ARG A 52 2.683 -5.780 15.295 1.00 4.33 H new ATOM 0 HA ARG A 52 3.397 -7.210 13.815 1.00 75.31 H new ATOM 0 HB2 ARG A 52 3.707 -9.131 16.108 1.00 32.10 H new ATOM 0 HB3 ARG A 52 4.435 -9.274 14.520 1.00 32.10 H new ATOM 0 HG2 ARG A 52 4.910 -6.875 16.330 1.00 22.14 H new ATOM 0 HG3 ARG A 52 5.909 -8.314 16.389 1.00 22.14 H new ATOM 0 HD2 ARG A 52 5.648 -7.331 13.631 1.00 33.31 H new ATOM 0 HD3 ARG A 52 6.257 -6.077 14.693 1.00 33.31 H new ATOM 0 HE ARG A 52 7.543 -8.674 15.091 1.00 55.23 H new ATOM 0 HH11 ARG A 52 7.690 -5.901 12.882 1.00 62.41 H new ATOM 0 HH12 ARG A 52 9.438 -6.053 12.682 1.00 62.41 H new ATOM 0 HH21 ARG A 52 9.748 -8.689 14.987 1.00 12.43 H new ATOM 0 HH22 ARG A 52 10.593 -7.618 13.865 1.00 12.43 H new ATOM 786 N SER A 53 1.054 -7.884 13.224 1.00 51.11 N ATOM 787 CA SER A 53 0.150 -8.456 12.234 1.00 75.21 C ATOM 788 C SER A 53 0.835 -9.464 11.290 1.00 2.31 C ATOM 789 O SER A 53 0.152 -10.056 10.462 1.00 24.21 O ATOM 790 CB SER A 53 -0.454 -7.290 11.429 1.00 55.31 C ATOM 791 OG SER A 53 -1.027 -6.315 12.289 1.00 31.21 O ATOM 0 H SER A 53 1.063 -6.865 13.186 1.00 51.11 H new ATOM 0 HA SER A 53 -0.620 -9.024 12.756 1.00 75.21 H new ATOM 0 HB2 SER A 53 0.320 -6.828 10.816 1.00 55.31 H new ATOM 0 HB3 SER A 53 -1.215 -7.671 10.748 1.00 55.31 H new ATOM 0 HG SER A 53 -1.402 -5.585 11.753 1.00 31.21 H new ATOM 796 N LYS A 54 2.156 -9.697 11.398 1.00 4.24 N ATOM 797 CA LYS A 54 2.918 -10.672 10.608 1.00 60.22 C ATOM 798 C LYS A 54 2.768 -10.482 9.096 1.00 11.31 C ATOM 799 O LYS A 54 2.872 -11.445 8.339 1.00 74.12 O ATOM 800 CB LYS A 54 2.604 -12.102 11.087 1.00 21.33 C ATOM 801 CG LYS A 54 3.248 -12.375 12.451 1.00 34.23 C ATOM 802 CD LYS A 54 2.744 -13.686 13.063 1.00 31.22 C ATOM 803 CE LYS A 54 1.339 -13.562 13.669 1.00 64.33 C ATOM 804 NZ LYS A 54 1.279 -12.614 14.804 1.00 0.03 N ATOM 0 H LYS A 54 2.740 -9.191 12.063 1.00 4.24 H new ATOM 0 HA LYS A 54 3.978 -10.491 10.787 1.00 60.22 H new ATOM 0 HB2 LYS A 54 1.525 -12.238 11.156 1.00 21.33 H new ATOM 0 HB3 LYS A 54 2.970 -12.823 10.356 1.00 21.33 H new ATOM 0 HG2 LYS A 54 4.331 -12.418 12.340 1.00 34.23 H new ATOM 0 HG3 LYS A 54 3.030 -11.549 13.128 1.00 34.23 H new ATOM 0 HD2 LYS A 54 2.736 -14.460 12.295 1.00 31.22 H new ATOM 0 HD3 LYS A 54 3.440 -14.011 13.836 1.00 31.22 H new ATOM 0 HE2 LYS A 54 0.643 -13.238 12.895 1.00 64.33 H new ATOM 0 HE3 LYS A 54 1.007 -14.544 14.005 1.00 64.33 H new ATOM 0 HZ1 LYS A 54 0.370 -12.721 15.298 1.00 0.03 H new ATOM 0 HZ2 LYS A 54 2.057 -12.813 15.464 1.00 0.03 H new ATOM 0 HZ3 LYS A 54 1.367 -11.641 14.448 1.00 0.03 H new ATOM 814 N GLY A 55 2.568 -9.248 8.641 1.00 34.12 N ATOM 815 CA GLY A 55 2.506 -8.946 7.228 1.00 31.14 C ATOM 816 C GLY A 55 1.950 -7.549 7.063 1.00 75.25 C ATOM 817 O GLY A 55 0.738 -7.385 7.011 1.00 73.34 O ATOM 0 H GLY A 55 2.445 -8.436 9.246 1.00 34.12 H new ATOM 0 HA2 GLY A 55 3.498 -9.015 6.782 1.00 31.14 H new ATOM 0 HA3 GLY A 55 1.874 -9.669 6.713 1.00 31.14 H new ATOM 821 N ILE A 56 2.827 -6.546 7.040 1.00 74.31 N ATOM 822 CA ILE A 56 2.463 -5.148 6.846 1.00 40.03 C ATOM 823 C ILE A 56 3.520 -4.477 5.966 1.00 32.40 C ATOM 824 O ILE A 56 4.721 -4.680 6.184 1.00 35.20 O ATOM 825 CB ILE A 56 2.277 -4.420 8.200 1.00 13.11 C ATOM 826 CG1 ILE A 56 3.342 -4.781 9.257 1.00 21.52 C ATOM 827 CG2 ILE A 56 0.864 -4.692 8.739 1.00 21.10 C ATOM 828 CD1 ILE A 56 3.261 -3.866 10.480 1.00 74.25 C ATOM 0 H ILE A 56 3.830 -6.688 7.158 1.00 74.31 H new ATOM 0 HA ILE A 56 1.500 -5.089 6.338 1.00 40.03 H new ATOM 0 HB ILE A 56 2.409 -3.356 8.005 1.00 13.11 H new ATOM 0 HG12 ILE A 56 3.208 -5.817 9.569 1.00 21.52 H new ATOM 0 HG13 ILE A 56 4.335 -4.707 8.813 1.00 21.52 H new ATOM 0 HG21 ILE A 56 0.733 -4.180 9.692 1.00 21.10 H new ATOM 0 HG22 ILE A 56 0.126 -4.326 8.026 1.00 21.10 H new ATOM 0 HG23 ILE A 56 0.729 -5.764 8.882 1.00 21.10 H new ATOM 0 HD11 ILE A 56 4.027 -4.153 11.200 1.00 74.25 H new ATOM 0 HD12 ILE A 56 3.421 -2.833 10.172 1.00 74.25 H new ATOM 0 HD13 ILE A 56 2.277 -3.960 10.940 1.00 74.25 H new ATOM 839 N ALA A 57 3.077 -3.694 4.979 1.00 40.34 N ATOM 840 CA ALA A 57 3.885 -2.794 4.159 1.00 4.03 C ATOM 841 C ALA A 57 2.961 -1.704 3.590 1.00 15.04 C ATOM 842 O ALA A 57 1.794 -1.982 3.316 1.00 55.21 O ATOM 843 CB ALA A 57 4.549 -3.575 3.017 1.00 1.04 C ATOM 0 H ALA A 57 2.091 -3.671 4.718 1.00 40.34 H new ATOM 0 HA ALA A 57 4.671 -2.340 4.762 1.00 4.03 H new ATOM 0 HB1 ALA A 57 5.149 -2.895 2.412 1.00 1.04 H new ATOM 0 HB2 ALA A 57 5.190 -4.353 3.433 1.00 1.04 H new ATOM 0 HB3 ALA A 57 3.780 -4.033 2.394 1.00 1.04 H new ATOM 849 N TYR A 58 3.466 -0.487 3.392 1.00 14.22 N ATOM 850 CA TYR A 58 2.774 0.629 2.745 1.00 40.21 C ATOM 851 C TYR A 58 3.643 1.039 1.569 1.00 73.41 C ATOM 852 O TYR A 58 4.823 1.280 1.792 1.00 75.44 O ATOM 853 CB TYR A 58 2.674 1.830 3.704 1.00 31.53 C ATOM 854 CG TYR A 58 1.933 1.613 5.006 1.00 1.12 C ATOM 855 CD1 TYR A 58 2.572 0.949 6.065 1.00 62.15 C ATOM 856 CD2 TYR A 58 0.645 2.145 5.200 1.00 71.32 C ATOM 857 CE1 TYR A 58 1.915 0.772 7.291 1.00 3.21 C ATOM 858 CE2 TYR A 58 -0.009 2.004 6.440 1.00 72.23 C ATOM 859 CZ TYR A 58 0.617 1.286 7.486 1.00 72.15 C ATOM 860 OH TYR A 58 0.043 1.135 8.707 1.00 43.31 O ATOM 0 H TYR A 58 4.410 -0.240 3.691 1.00 14.22 H new ATOM 0 HA TYR A 58 1.768 0.334 2.447 1.00 40.21 H new ATOM 0 HB2 TYR A 58 3.686 2.158 3.941 1.00 31.53 H new ATOM 0 HB3 TYR A 58 2.190 2.649 3.172 1.00 31.53 H new ATOM 0 HD1 TYR A 58 3.576 0.572 5.935 1.00 62.15 H new ATOM 0 HD2 TYR A 58 0.153 2.666 4.392 1.00 71.32 H new ATOM 0 HE1 TYR A 58 2.407 0.238 8.091 1.00 3.21 H new ATOM 0 HE2 TYR A 58 -0.984 2.442 6.591 1.00 72.23 H new ATOM 0 HH TYR A 58 -0.459 0.293 8.731 1.00 43.31 H new ATOM 869 N VAL A 59 3.176 1.063 0.320 1.00 75.13 N ATOM 870 CA VAL A 59 3.950 1.586 -0.774 1.00 20.33 C ATOM 871 C VAL A 59 3.384 2.964 -1.141 1.00 75.14 C ATOM 872 O VAL A 59 2.169 3.172 -1.120 1.00 2.15 O ATOM 873 CB VAL A 59 3.976 0.540 -1.900 1.00 61.44 C ATOM 874 CG1 VAL A 59 4.241 -0.930 -1.496 1.00 43.34 C ATOM 875 CG2 VAL A 59 2.826 0.550 -2.887 1.00 1.22 C ATOM 0 H VAL A 59 2.254 0.719 0.053 1.00 75.13 H new ATOM 0 HA VAL A 59 4.997 1.758 -0.525 1.00 20.33 H new ATOM 0 HB VAL A 59 4.863 0.926 -2.402 1.00 61.44 H new ATOM 0 HG11 VAL A 59 4.232 -1.559 -2.386 1.00 43.34 H new ATOM 0 HG12 VAL A 59 5.213 -1.004 -1.009 1.00 43.34 H new ATOM 0 HG13 VAL A 59 3.464 -1.264 -0.808 1.00 43.34 H new ATOM 0 HG21 VAL A 59 2.973 -0.238 -3.625 1.00 1.22 H new ATOM 0 HG22 VAL A 59 1.889 0.380 -2.356 1.00 1.22 H new ATOM 0 HG23 VAL A 59 2.787 1.516 -3.391 1.00 1.22 H new ATOM 885 N GLU A 60 4.263 3.912 -1.457 1.00 21.43 N ATOM 886 CA GLU A 60 3.891 5.201 -2.014 1.00 13.14 C ATOM 887 C GLU A 60 3.477 4.929 -3.457 1.00 13.41 C ATOM 888 O GLU A 60 4.312 4.495 -4.251 1.00 12.53 O ATOM 889 CB GLU A 60 5.090 6.170 -1.967 1.00 71.32 C ATOM 890 CG GLU A 60 5.318 6.727 -0.557 1.00 14.15 C ATOM 891 CD GLU A 60 6.725 7.316 -0.371 1.00 4.41 C ATOM 892 OE1 GLU A 60 6.960 8.507 -0.706 1.00 33.31 O ATOM 893 OE2 GLU A 60 7.613 6.641 0.200 1.00 3.54 O ATOM 0 H GLU A 60 5.269 3.800 -1.329 1.00 21.43 H new ATOM 0 HA GLU A 60 3.082 5.665 -1.450 1.00 13.14 H new ATOM 0 HB2 GLU A 60 5.989 5.653 -2.303 1.00 71.32 H new ATOM 0 HB3 GLU A 60 4.919 6.994 -2.660 1.00 71.32 H new ATOM 0 HG2 GLU A 60 4.576 7.498 -0.351 1.00 14.15 H new ATOM 0 HG3 GLU A 60 5.162 5.932 0.173 1.00 14.15 H new ATOM 898 N PHE A 61 2.218 5.150 -3.826 1.00 0.12 N ATOM 899 CA PHE A 61 1.840 5.112 -5.240 1.00 20.45 C ATOM 900 C PHE A 61 2.163 6.447 -5.913 1.00 75.22 C ATOM 901 O PHE A 61 2.320 7.469 -5.232 1.00 14.51 O ATOM 902 CB PHE A 61 0.368 4.722 -5.428 1.00 34.41 C ATOM 903 CG PHE A 61 0.212 3.536 -6.347 1.00 60.23 C ATOM 904 CD1 PHE A 61 0.561 2.258 -5.878 1.00 1.13 C ATOM 905 CD2 PHE A 61 -0.218 3.706 -7.673 1.00 52.13 C ATOM 906 CE1 PHE A 61 0.502 1.155 -6.746 1.00 63.30 C ATOM 907 CE2 PHE A 61 -0.292 2.594 -8.529 1.00 22.22 C ATOM 908 CZ PHE A 61 0.086 1.322 -8.077 1.00 2.44 C ATOM 0 H PHE A 61 1.454 5.354 -3.182 1.00 0.12 H new ATOM 0 HA PHE A 61 2.430 4.335 -5.726 1.00 20.45 H new ATOM 0 HB2 PHE A 61 -0.073 4.490 -4.458 1.00 34.41 H new ATOM 0 HB3 PHE A 61 -0.183 5.570 -5.834 1.00 34.41 H new ATOM 0 HD1 PHE A 61 0.874 2.124 -4.853 1.00 1.13 H new ATOM 0 HD2 PHE A 61 -0.491 4.687 -8.033 1.00 52.13 H new ATOM 0 HE1 PHE A 61 0.778 0.174 -6.388 1.00 63.30 H new ATOM 0 HE2 PHE A 61 -0.643 2.720 -9.543 1.00 22.22 H new ATOM 0 HZ PHE A 61 0.058 0.476 -8.748 1.00 2.44 H new ATOM 917 N VAL A 62 2.256 6.453 -7.247 1.00 74.21 N ATOM 918 CA VAL A 62 2.553 7.666 -8.005 1.00 0.33 C ATOM 919 C VAL A 62 1.262 8.447 -8.313 1.00 61.21 C ATOM 920 O VAL A 62 1.319 9.679 -8.388 1.00 11.14 O ATOM 921 CB VAL A 62 3.371 7.332 -9.277 1.00 21.35 C ATOM 922 CG1 VAL A 62 3.863 8.602 -9.975 1.00 43.24 C ATOM 923 CG2 VAL A 62 4.602 6.459 -8.991 1.00 32.22 C ATOM 0 H VAL A 62 2.128 5.622 -7.825 1.00 74.21 H new ATOM 0 HA VAL A 62 3.176 8.320 -7.395 1.00 0.33 H new ATOM 0 HB VAL A 62 2.682 6.779 -9.916 1.00 21.35 H new ATOM 0 HG11 VAL A 62 4.433 8.331 -10.864 1.00 43.24 H new ATOM 0 HG12 VAL A 62 3.008 9.212 -10.265 1.00 43.24 H new ATOM 0 HG13 VAL A 62 4.499 9.168 -9.294 1.00 43.24 H new ATOM 0 HG21 VAL A 62 5.132 6.261 -9.923 1.00 32.22 H new ATOM 0 HG22 VAL A 62 5.265 6.980 -8.300 1.00 32.22 H new ATOM 0 HG23 VAL A 62 4.284 5.516 -8.547 1.00 32.22 H new ATOM 933 N ASP A 63 0.097 7.795 -8.420 1.00 40.20 N ATOM 934 CA ASP A 63 -1.194 8.478 -8.577 1.00 41.21 C ATOM 935 C ASP A 63 -2.076 8.228 -7.354 1.00 14.32 C ATOM 936 O ASP A 63 -1.694 7.466 -6.469 1.00 42.10 O ATOM 937 CB ASP A 63 -1.948 8.079 -9.856 1.00 20.32 C ATOM 938 CG ASP A 63 -2.977 9.159 -10.174 1.00 62.02 C ATOM 939 OD1 ASP A 63 -2.611 10.321 -10.419 1.00 63.14 O ATOM 940 OD2 ASP A 63 -4.186 8.913 -9.975 1.00 60.31 O ATOM 0 H ASP A 63 0.023 6.778 -8.400 1.00 40.20 H new ATOM 0 HA ASP A 63 -0.968 9.541 -8.667 1.00 41.21 H new ATOM 0 HB2 ASP A 63 -1.251 7.965 -10.686 1.00 20.32 H new ATOM 0 HB3 ASP A 63 -2.441 7.116 -9.720 1.00 20.32 H new ATOM 944 N VAL A 64 -3.242 8.869 -7.286 1.00 32.05 N ATOM 945 CA VAL A 64 -4.213 8.716 -6.215 1.00 22.23 C ATOM 946 C VAL A 64 -5.378 7.824 -6.666 1.00 35.43 C ATOM 947 O VAL A 64 -5.919 7.089 -5.839 1.00 54.33 O ATOM 948 CB VAL A 64 -4.622 10.125 -5.722 1.00 55.13 C ATOM 949 CG1 VAL A 64 -5.572 10.863 -6.676 1.00 31.52 C ATOM 950 CG2 VAL A 64 -5.196 10.090 -4.305 1.00 71.23 C ATOM 0 H VAL A 64 -3.542 9.531 -8.002 1.00 32.05 H new ATOM 0 HA VAL A 64 -3.786 8.194 -5.359 1.00 22.23 H new ATOM 0 HB VAL A 64 -3.696 10.699 -5.705 1.00 55.13 H new ATOM 0 HG11 VAL A 64 -5.814 11.842 -6.263 1.00 31.52 H new ATOM 0 HG12 VAL A 64 -5.090 10.987 -7.646 1.00 31.52 H new ATOM 0 HG13 VAL A 64 -6.488 10.284 -6.797 1.00 31.52 H new ATOM 0 HG21 VAL A 64 -5.470 11.099 -3.998 1.00 71.23 H new ATOM 0 HG22 VAL A 64 -6.080 9.453 -4.286 1.00 71.23 H new ATOM 0 HG23 VAL A 64 -4.448 9.693 -3.619 1.00 71.23 H new ATOM 960 N SER A 65 -5.714 7.768 -7.968 1.00 73.11 N ATOM 961 CA SER A 65 -6.890 7.002 -8.399 1.00 12.42 C ATOM 962 C SER A 65 -6.649 5.499 -8.219 1.00 53.30 C ATOM 963 O SER A 65 -7.578 4.693 -8.225 1.00 62.31 O ATOM 964 CB SER A 65 -7.288 7.355 -9.843 1.00 12.12 C ATOM 965 OG SER A 65 -6.394 6.836 -10.819 1.00 11.15 O ATOM 0 H SER A 65 -5.202 8.231 -8.719 1.00 73.11 H new ATOM 0 HA SER A 65 -7.732 7.278 -7.764 1.00 12.42 H new ATOM 0 HB2 SER A 65 -8.290 6.973 -10.039 1.00 12.12 H new ATOM 0 HB3 SER A 65 -7.335 8.439 -9.944 1.00 12.12 H new ATOM 0 HG SER A 65 -5.544 7.322 -10.776 1.00 11.15 H new ATOM 970 N SER A 66 -5.385 5.114 -8.071 1.00 63.50 N ATOM 971 CA SER A 66 -4.940 3.761 -7.862 1.00 14.35 C ATOM 972 C SER A 66 -5.292 3.199 -6.487 1.00 41.24 C ATOM 973 O SER A 66 -5.354 1.980 -6.343 1.00 72.51 O ATOM 974 CB SER A 66 -3.432 3.753 -7.988 1.00 61.22 C ATOM 975 OG SER A 66 -3.036 4.394 -9.186 1.00 72.23 O ATOM 0 H SER A 66 -4.612 5.780 -8.097 1.00 63.50 H new ATOM 0 HA SER A 66 -5.443 3.138 -8.602 1.00 14.35 H new ATOM 0 HB2 SER A 66 -2.986 4.259 -7.132 1.00 61.22 H new ATOM 0 HB3 SER A 66 -3.065 2.727 -7.978 1.00 61.22 H new ATOM 0 HG SER A 66 -2.066 4.308 -9.298 1.00 72.23 H new ATOM 980 N VAL A 67 -5.506 4.052 -5.485 1.00 20.33 N ATOM 981 CA VAL A 67 -5.810 3.625 -4.127 1.00 12.25 C ATOM 982 C VAL A 67 -7.092 2.769 -4.115 1.00 0.31 C ATOM 983 O VAL A 67 -7.015 1.600 -3.722 1.00 2.11 O ATOM 984 CB VAL A 67 -5.821 4.845 -3.182 1.00 12.44 C ATOM 985 CG1 VAL A 67 -6.202 4.416 -1.765 1.00 24.55 C ATOM 986 CG2 VAL A 67 -4.441 5.524 -3.153 1.00 44.43 C ATOM 0 H VAL A 67 -5.472 5.065 -5.598 1.00 20.33 H new ATOM 0 HA VAL A 67 -5.030 2.970 -3.739 1.00 12.25 H new ATOM 0 HB VAL A 67 -6.559 5.554 -3.557 1.00 12.44 H new ATOM 0 HG11 VAL A 67 -6.206 5.287 -1.110 1.00 24.55 H new ATOM 0 HG12 VAL A 67 -7.195 3.966 -1.776 1.00 24.55 H new ATOM 0 HG13 VAL A 67 -5.478 3.689 -1.398 1.00 24.55 H new ATOM 0 HG21 VAL A 67 -4.471 6.381 -2.481 1.00 44.43 H new ATOM 0 HG22 VAL A 67 -3.693 4.813 -2.801 1.00 44.43 H new ATOM 0 HG23 VAL A 67 -4.179 5.859 -4.157 1.00 44.43 H new ATOM 996 N PRO A 68 -8.246 3.251 -4.615 1.00 53.03 N ATOM 997 CA PRO A 68 -9.435 2.419 -4.728 1.00 44.42 C ATOM 998 C PRO A 68 -9.278 1.272 -5.741 1.00 34.11 C ATOM 999 O PRO A 68 -10.077 0.331 -5.712 1.00 14.15 O ATOM 1000 CB PRO A 68 -10.580 3.374 -5.073 1.00 4.14 C ATOM 1001 CG PRO A 68 -9.886 4.557 -5.742 1.00 35.44 C ATOM 1002 CD PRO A 68 -8.555 4.621 -5.004 1.00 74.20 C ATOM 0 HA PRO A 68 -9.633 1.897 -3.792 1.00 44.42 H new ATOM 0 HB2 PRO A 68 -11.303 2.906 -5.741 1.00 4.14 H new ATOM 0 HB3 PRO A 68 -11.124 3.683 -4.181 1.00 4.14 H new ATOM 0 HG2 PRO A 68 -9.749 4.395 -6.811 1.00 35.44 H new ATOM 0 HG3 PRO A 68 -10.457 5.479 -5.629 1.00 35.44 H new ATOM 0 HD2 PRO A 68 -7.773 5.031 -5.644 1.00 74.20 H new ATOM 0 HD3 PRO A 68 -8.624 5.269 -4.130 1.00 74.20 H new ATOM 1007 N LEU A 69 -8.247 1.276 -6.597 1.00 14.04 N ATOM 1008 CA LEU A 69 -7.902 0.101 -7.394 1.00 52.31 C ATOM 1009 C LEU A 69 -7.400 -1.018 -6.479 1.00 60.14 C ATOM 1010 O LEU A 69 -7.869 -2.146 -6.585 1.00 24.45 O ATOM 1011 CB LEU A 69 -6.844 0.421 -8.470 1.00 12.42 C ATOM 1012 CG LEU A 69 -7.243 -0.153 -9.842 1.00 41.02 C ATOM 1013 CD1 LEU A 69 -6.298 0.402 -10.911 1.00 23.44 C ATOM 1014 CD2 LEU A 69 -7.199 -1.688 -9.837 1.00 1.15 C ATOM 0 H LEU A 69 -7.641 2.081 -6.752 1.00 14.04 H new ATOM 0 HA LEU A 69 -8.805 -0.224 -7.911 1.00 52.31 H new ATOM 0 HB2 LEU A 69 -6.719 1.501 -8.549 1.00 12.42 H new ATOM 0 HB3 LEU A 69 -5.881 0.009 -8.168 1.00 12.42 H new ATOM 0 HG LEU A 69 -8.267 0.146 -10.064 1.00 41.02 H new ATOM 0 HD11 LEU A 69 -6.575 -0.000 -11.886 1.00 23.44 H new ATOM 0 HD12 LEU A 69 -6.372 1.489 -10.933 1.00 23.44 H new ATOM 0 HD13 LEU A 69 -5.274 0.113 -10.677 1.00 23.44 H new ATOM 0 HD21 LEU A 69 -7.486 -2.063 -10.819 1.00 1.15 H new ATOM 0 HD22 LEU A 69 -6.189 -2.022 -9.601 1.00 1.15 H new ATOM 0 HD23 LEU A 69 -7.891 -2.069 -9.087 1.00 1.15 H new ATOM 1025 N ALA A 70 -6.476 -0.721 -5.555 1.00 12.43 N ATOM 1026 CA ALA A 70 -5.949 -1.708 -4.613 1.00 43.40 C ATOM 1027 C ALA A 70 -7.061 -2.293 -3.733 1.00 44.20 C ATOM 1028 O ALA A 70 -7.052 -3.492 -3.453 1.00 2.35 O ATOM 1029 CB ALA A 70 -4.839 -1.080 -3.761 1.00 42.22 C ATOM 0 H ALA A 70 -6.076 0.210 -5.443 1.00 12.43 H new ATOM 0 HA ALA A 70 -5.524 -2.534 -5.183 1.00 43.40 H new ATOM 0 HB1 ALA A 70 -4.453 -1.822 -3.062 1.00 42.22 H new ATOM 0 HB2 ALA A 70 -4.033 -0.737 -4.409 1.00 42.22 H new ATOM 0 HB3 ALA A 70 -5.242 -0.234 -3.205 1.00 42.22 H new ATOM 1035 N ILE A 71 -8.044 -1.476 -3.344 1.00 62.11 N ATOM 1036 CA ILE A 71 -9.248 -1.922 -2.638 1.00 64.14 C ATOM 1037 C ILE A 71 -9.988 -2.978 -3.475 1.00 31.44 C ATOM 1038 O ILE A 71 -10.483 -3.974 -2.939 1.00 40.20 O ATOM 1039 CB ILE A 71 -10.131 -0.690 -2.319 1.00 34.33 C ATOM 1040 CG1 ILE A 71 -9.403 0.228 -1.311 1.00 40.04 C ATOM 1041 CG2 ILE A 71 -11.522 -1.094 -1.811 1.00 31.24 C ATOM 1042 CD1 ILE A 71 -10.170 1.492 -0.902 1.00 22.52 C ATOM 0 H ILE A 71 -8.025 -0.470 -3.514 1.00 62.11 H new ATOM 0 HA ILE A 71 -8.983 -2.397 -1.693 1.00 64.14 H new ATOM 0 HB ILE A 71 -10.292 -0.137 -3.244 1.00 34.33 H new ATOM 0 HG12 ILE A 71 -9.182 -0.349 -0.413 1.00 40.04 H new ATOM 0 HG13 ILE A 71 -8.447 0.526 -1.741 1.00 40.04 H new ATOM 0 HG21 ILE A 71 -12.107 -0.199 -1.600 1.00 31.24 H new ATOM 0 HG22 ILE A 71 -12.029 -1.687 -2.572 1.00 31.24 H new ATOM 0 HG23 ILE A 71 -11.420 -1.683 -0.900 1.00 31.24 H new ATOM 0 HD11 ILE A 71 -9.573 2.066 -0.193 1.00 22.52 H new ATOM 0 HD12 ILE A 71 -10.368 2.099 -1.785 1.00 22.52 H new ATOM 0 HD13 ILE A 71 -11.114 1.210 -0.436 1.00 22.52 H new ATOM 1053 N GLY A 72 -10.039 -2.783 -4.792 1.00 3.24 N ATOM 1054 CA GLY A 72 -10.670 -3.693 -5.728 1.00 3.42 C ATOM 1055 C GLY A 72 -9.901 -4.997 -5.943 1.00 60.11 C ATOM 1056 O GLY A 72 -10.360 -5.829 -6.722 1.00 53.34 O ATOM 0 H GLY A 72 -9.630 -1.964 -5.242 1.00 3.24 H new ATOM 0 HA2 GLY A 72 -11.672 -3.929 -5.370 1.00 3.42 H new ATOM 0 HA3 GLY A 72 -10.785 -3.189 -6.687 1.00 3.42 H new ATOM 1060 N LEU A 73 -8.752 -5.207 -5.290 1.00 13.01 N ATOM 1061 CA LEU A 73 -7.972 -6.443 -5.388 1.00 20.14 C ATOM 1062 C LEU A 73 -8.017 -7.248 -4.087 1.00 74.44 C ATOM 1063 O LEU A 73 -7.365 -8.286 -4.013 1.00 54.43 O ATOM 1064 CB LEU A 73 -6.515 -6.131 -5.780 1.00 22.21 C ATOM 1065 CG LEU A 73 -6.344 -5.399 -7.125 1.00 42.31 C ATOM 1066 CD1 LEU A 73 -4.881 -4.989 -7.333 1.00 15.14 C ATOM 1067 CD2 LEU A 73 -6.786 -6.255 -8.311 1.00 40.23 C ATOM 0 H LEU A 73 -8.334 -4.513 -4.671 1.00 13.01 H new ATOM 0 HA LEU A 73 -8.424 -7.056 -6.168 1.00 20.14 H new ATOM 0 HB2 LEU A 73 -6.065 -5.524 -4.994 1.00 22.21 H new ATOM 0 HB3 LEU A 73 -5.957 -7.067 -5.819 1.00 22.21 H new ATOM 0 HG LEU A 73 -6.981 -4.516 -7.080 1.00 42.31 H new ATOM 0 HD11 LEU A 73 -4.780 -4.473 -8.288 1.00 15.14 H new ATOM 0 HD12 LEU A 73 -4.571 -4.324 -6.527 1.00 15.14 H new ATOM 0 HD13 LEU A 73 -4.250 -5.878 -7.332 1.00 15.14 H new ATOM 0 HD21 LEU A 73 -6.646 -5.695 -9.236 1.00 40.23 H new ATOM 0 HD22 LEU A 73 -6.189 -7.166 -8.345 1.00 40.23 H new ATOM 0 HD23 LEU A 73 -7.839 -6.515 -8.200 1.00 40.23 H new ATOM 1078 N THR A 74 -8.764 -6.801 -3.068 1.00 20.12 N ATOM 1079 CA THR A 74 -8.756 -7.369 -1.718 1.00 23.32 C ATOM 1080 C THR A 74 -8.937 -8.897 -1.693 1.00 2.44 C ATOM 1081 O THR A 74 -8.344 -9.567 -0.846 1.00 44.00 O ATOM 1082 CB THR A 74 -9.742 -6.595 -0.819 1.00 74.13 C ATOM 1083 OG1 THR A 74 -9.666 -6.955 0.543 1.00 13.45 O ATOM 1084 CG2 THR A 74 -11.196 -6.789 -1.227 1.00 51.24 C ATOM 0 H THR A 74 -9.406 -6.014 -3.165 1.00 20.12 H new ATOM 0 HA THR A 74 -7.760 -7.234 -1.296 1.00 23.32 H new ATOM 0 HB THR A 74 -9.435 -5.558 -0.953 1.00 74.13 H new ATOM 0 HG1 THR A 74 -8.728 -6.961 0.828 1.00 13.45 H new ATOM 0 HG21 THR A 74 -11.841 -6.220 -0.557 1.00 51.24 H new ATOM 0 HG22 THR A 74 -11.337 -6.440 -2.250 1.00 51.24 H new ATOM 0 HG23 THR A 74 -11.453 -7.847 -1.166 1.00 51.24 H new ATOM 1092 N GLY A 75 -9.706 -9.447 -2.637 1.00 22.14 N ATOM 1093 CA GLY A 75 -10.029 -10.864 -2.722 1.00 3.01 C ATOM 1094 C GLY A 75 -9.342 -11.587 -3.884 1.00 34.45 C ATOM 1095 O GLY A 75 -9.861 -12.610 -4.346 1.00 64.51 O ATOM 0 H GLY A 75 -10.131 -8.897 -3.383 1.00 22.14 H new ATOM 0 HA2 GLY A 75 -9.746 -11.348 -1.787 1.00 3.01 H new ATOM 0 HA3 GLY A 75 -11.108 -10.975 -2.825 1.00 3.01 H new ATOM 1099 N GLN A 76 -8.237 -11.063 -4.414 1.00 42.21 N ATOM 1100 CA GLN A 76 -7.228 -11.885 -5.084 1.00 35.41 C ATOM 1101 C GLN A 76 -6.233 -12.378 -4.026 1.00 21.41 C ATOM 1102 O GLN A 76 -6.339 -11.967 -2.870 1.00 73.34 O ATOM 1103 CB GLN A 76 -6.508 -11.074 -6.162 1.00 22.13 C ATOM 1104 CG GLN A 76 -7.458 -10.430 -7.185 1.00 52.12 C ATOM 1105 CD GLN A 76 -6.747 -10.027 -8.475 1.00 11.23 C ATOM 1106 OE1 GLN A 76 -5.558 -10.272 -8.656 1.00 35.54 O ATOM 1107 NE2 GLN A 76 -7.441 -9.410 -9.413 1.00 20.42 N ATOM 0 H GLN A 76 -8.017 -10.067 -4.392 1.00 42.21 H new ATOM 0 HA GLN A 76 -7.703 -12.736 -5.573 1.00 35.41 H new ATOM 0 HB2 GLN A 76 -5.919 -10.292 -5.683 1.00 22.13 H new ATOM 0 HB3 GLN A 76 -5.808 -11.724 -6.687 1.00 22.13 H new ATOM 0 HG2 GLN A 76 -8.261 -11.129 -7.420 1.00 52.12 H new ATOM 0 HG3 GLN A 76 -7.922 -9.550 -6.740 1.00 52.12 H new ATOM 0 HE21 GLN A 76 -8.429 -9.205 -9.265 1.00 20.42 H new ATOM 0 HE22 GLN A 76 -6.989 -9.138 -10.286 1.00 20.42 H new ATOM 1114 N ARG A 77 -5.276 -13.250 -4.378 1.00 61.50 N ATOM 1115 CA ARG A 77 -4.207 -13.635 -3.461 1.00 41.21 C ATOM 1116 C ARG A 77 -2.995 -14.220 -4.181 1.00 74.51 C ATOM 1117 O ARG A 77 -2.877 -15.444 -4.296 1.00 61.24 O ATOM 1118 CB ARG A 77 -4.735 -14.603 -2.400 1.00 61.43 C ATOM 1119 CG ARG A 77 -5.646 -15.707 -2.944 1.00 2.24 C ATOM 1120 CD ARG A 77 -5.739 -16.785 -1.874 1.00 71.10 C ATOM 1121 NE ARG A 77 -6.556 -17.924 -2.305 1.00 40.43 N ATOM 1122 CZ ARG A 77 -6.442 -19.168 -1.830 1.00 23.15 C ATOM 1123 NH1 ARG A 77 -5.688 -19.449 -0.777 1.00 51.11 N ATOM 1124 NH2 ARG A 77 -7.096 -20.174 -2.395 1.00 43.12 N ATOM 0 H ARG A 77 -5.226 -13.699 -5.293 1.00 61.50 H new ATOM 0 HA ARG A 77 -3.864 -12.725 -2.969 1.00 41.21 H new ATOM 0 HB2 ARG A 77 -3.887 -15.065 -1.894 1.00 61.43 H new ATOM 0 HB3 ARG A 77 -5.283 -14.035 -1.649 1.00 61.43 H new ATOM 0 HG2 ARG A 77 -6.634 -15.310 -3.176 1.00 2.24 H new ATOM 0 HG3 ARG A 77 -5.242 -16.118 -3.869 1.00 2.24 H new ATOM 0 HD2 ARG A 77 -4.737 -17.133 -1.623 1.00 71.10 H new ATOM 0 HD3 ARG A 77 -6.165 -16.358 -0.966 1.00 71.10 H new ATOM 0 HE ARG A 77 -7.263 -17.754 -3.020 1.00 40.43 H new ATOM 0 HH11 ARG A 77 -5.174 -18.705 -0.305 1.00 51.11 H new ATOM 0 HH12 ARG A 77 -5.622 -20.409 -0.439 1.00 51.11 H new ATOM 0 HH21 ARG A 77 -7.695 -20.003 -3.203 1.00 43.12 H new ATOM 0 HH22 ARG A 77 -7.000 -21.118 -2.022 1.00 43.12 H new ATOM 1135 N VAL A 78 -2.077 -13.376 -4.642 1.00 43.20 N ATOM 1136 CA VAL A 78 -0.926 -13.836 -5.423 1.00 3.35 C ATOM 1137 C VAL A 78 -0.095 -14.807 -4.592 1.00 63.43 C ATOM 1138 O VAL A 78 0.393 -14.442 -3.524 1.00 14.34 O ATOM 1139 CB VAL A 78 -0.070 -12.691 -6.010 1.00 71.20 C ATOM 1140 CG1 VAL A 78 -0.847 -11.953 -7.105 1.00 33.24 C ATOM 1141 CG2 VAL A 78 0.489 -11.675 -5.001 1.00 22.12 C ATOM 0 H VAL A 78 -2.105 -12.368 -4.490 1.00 43.20 H new ATOM 0 HA VAL A 78 -1.318 -14.358 -6.296 1.00 3.35 H new ATOM 0 HB VAL A 78 0.807 -13.196 -6.414 1.00 71.20 H new ATOM 0 HG11 VAL A 78 -0.232 -11.149 -7.509 1.00 33.24 H new ATOM 0 HG12 VAL A 78 -1.103 -12.650 -7.903 1.00 33.24 H new ATOM 0 HG13 VAL A 78 -1.760 -11.534 -6.683 1.00 33.24 H new ATOM 0 HG21 VAL A 78 1.072 -10.920 -5.529 1.00 22.12 H new ATOM 0 HG22 VAL A 78 -0.335 -11.194 -4.474 1.00 22.12 H new ATOM 0 HG23 VAL A 78 1.128 -12.189 -4.283 1.00 22.12 H new ATOM 1151 N LEU A 79 0.024 -16.059 -5.038 1.00 14.01 N ATOM 1152 CA LEU A 79 0.745 -17.126 -4.339 1.00 63.14 C ATOM 1153 C LEU A 79 0.309 -17.268 -2.869 1.00 62.32 C ATOM 1154 O LEU A 79 1.113 -17.629 -2.008 1.00 1.03 O ATOM 1155 CB LEU A 79 2.266 -16.924 -4.471 1.00 61.42 C ATOM 1156 CG LEU A 79 2.811 -16.742 -5.898 1.00 3.14 C ATOM 1157 CD1 LEU A 79 4.334 -16.574 -5.865 1.00 22.45 C ATOM 1158 CD2 LEU A 79 2.462 -17.926 -6.810 1.00 52.40 C ATOM 0 H LEU A 79 -0.389 -16.367 -5.918 1.00 14.01 H new ATOM 0 HA LEU A 79 0.484 -18.068 -4.820 1.00 63.14 H new ATOM 0 HB2 LEU A 79 2.547 -16.049 -3.884 1.00 61.42 H new ATOM 0 HB3 LEU A 79 2.765 -17.783 -4.022 1.00 61.42 H new ATOM 0 HG LEU A 79 2.339 -15.848 -6.305 1.00 3.14 H new ATOM 0 HD11 LEU A 79 4.708 -16.446 -6.881 1.00 22.45 H new ATOM 0 HD12 LEU A 79 4.591 -15.697 -5.271 1.00 22.45 H new ATOM 0 HD13 LEU A 79 4.788 -17.459 -5.420 1.00 22.45 H new ATOM 0 HD21 LEU A 79 2.868 -17.750 -7.806 1.00 52.40 H new ATOM 0 HD22 LEU A 79 2.890 -18.840 -6.399 1.00 52.40 H new ATOM 0 HD23 LEU A 79 1.379 -18.030 -6.873 1.00 52.40 H new ATOM 1169 N GLY A 80 -0.957 -16.964 -2.564 1.00 33.33 N ATOM 1170 CA GLY A 80 -1.473 -17.014 -1.202 1.00 54.25 C ATOM 1171 C GLY A 80 -1.240 -15.716 -0.425 1.00 1.11 C ATOM 1172 O GLY A 80 -1.142 -15.759 0.804 1.00 34.23 O ATOM 0 H GLY A 80 -1.648 -16.677 -3.257 1.00 33.33 H new ATOM 0 HA2 GLY A 80 -2.542 -17.226 -1.232 1.00 54.25 H new ATOM 0 HA3 GLY A 80 -0.999 -17.839 -0.670 1.00 54.25 H new ATOM 1176 N VAL A 81 -1.154 -14.566 -1.099 1.00 75.23 N ATOM 1177 CA VAL A 81 -0.999 -13.258 -0.467 1.00 71.55 C ATOM 1178 C VAL A 81 -2.169 -12.351 -0.867 1.00 1.04 C ATOM 1179 O VAL A 81 -2.044 -11.625 -1.852 1.00 0.42 O ATOM 1180 CB VAL A 81 0.394 -12.667 -0.786 1.00 35.50 C ATOM 1181 CG1 VAL A 81 0.607 -11.369 -0.001 1.00 15.30 C ATOM 1182 CG2 VAL A 81 1.508 -13.650 -0.385 1.00 61.22 C ATOM 0 H VAL A 81 -1.191 -14.520 -2.117 1.00 75.23 H new ATOM 0 HA VAL A 81 -1.037 -13.352 0.618 1.00 71.55 H new ATOM 0 HB VAL A 81 0.435 -12.477 -1.858 1.00 35.50 H new ATOM 0 HG11 VAL A 81 1.591 -10.961 -0.233 1.00 15.30 H new ATOM 0 HG12 VAL A 81 -0.160 -10.646 -0.278 1.00 15.30 H new ATOM 0 HG13 VAL A 81 0.542 -11.575 1.067 1.00 15.30 H new ATOM 0 HG21 VAL A 81 2.479 -13.214 -0.618 1.00 61.22 H new ATOM 0 HG22 VAL A 81 1.448 -13.851 0.685 1.00 61.22 H new ATOM 0 HG23 VAL A 81 1.387 -14.582 -0.937 1.00 61.22 H new ATOM 1192 N PRO A 82 -3.323 -12.414 -0.172 1.00 4.20 N ATOM 1193 CA PRO A 82 -4.426 -11.467 -0.357 1.00 4.41 C ATOM 1194 C PRO A 82 -4.073 -10.068 0.154 1.00 74.55 C ATOM 1195 O PRO A 82 -3.010 -9.876 0.738 1.00 20.11 O ATOM 1196 CB PRO A 82 -5.621 -12.066 0.397 1.00 32.24 C ATOM 1197 CG PRO A 82 -4.988 -12.980 1.446 1.00 33.40 C ATOM 1198 CD PRO A 82 -3.650 -13.398 0.850 1.00 75.31 C ATOM 0 HA PRO A 82 -4.653 -11.331 -1.414 1.00 4.41 H new ATOM 0 HB2 PRO A 82 -6.228 -11.289 0.861 1.00 32.24 H new ATOM 0 HB3 PRO A 82 -6.275 -12.624 -0.273 1.00 32.24 H new ATOM 0 HG2 PRO A 82 -4.852 -12.458 2.393 1.00 33.40 H new ATOM 0 HG3 PRO A 82 -5.618 -13.846 1.647 1.00 33.40 H new ATOM 0 HD2 PRO A 82 -2.877 -13.430 1.618 1.00 75.31 H new ATOM 0 HD3 PRO A 82 -3.713 -14.397 0.419 1.00 75.31 H new ATOM 1203 N ILE A 83 -4.971 -9.092 0.002 1.00 62.33 N ATOM 1204 CA ILE A 83 -4.748 -7.722 0.463 1.00 23.30 C ATOM 1205 C ILE A 83 -5.978 -7.229 1.230 1.00 52.02 C ATOM 1206 O ILE A 83 -7.105 -7.598 0.916 1.00 75.44 O ATOM 1207 CB ILE A 83 -4.290 -6.827 -0.720 1.00 43.14 C ATOM 1208 CG1 ILE A 83 -4.056 -5.386 -0.224 1.00 64.43 C ATOM 1209 CG2 ILE A 83 -5.193 -6.835 -1.973 1.00 21.45 C ATOM 1210 CD1 ILE A 83 -3.293 -4.514 -1.217 1.00 64.23 C ATOM 0 H ILE A 83 -5.877 -9.231 -0.446 1.00 62.33 H new ATOM 0 HA ILE A 83 -3.927 -7.675 1.179 1.00 23.30 H new ATOM 0 HB ILE A 83 -3.361 -7.278 -1.068 1.00 43.14 H new ATOM 0 HG12 ILE A 83 -5.020 -4.923 -0.012 1.00 64.43 H new ATOM 0 HG13 ILE A 83 -3.505 -5.419 0.716 1.00 64.43 H new ATOM 0 HG21 ILE A 83 -4.771 -6.174 -2.730 1.00 21.45 H new ATOM 0 HG22 ILE A 83 -5.255 -7.848 -2.370 1.00 21.45 H new ATOM 0 HG23 ILE A 83 -6.191 -6.489 -1.704 1.00 21.45 H new ATOM 0 HD11 ILE A 83 -3.166 -3.515 -0.801 1.00 64.23 H new ATOM 0 HD12 ILE A 83 -2.315 -4.954 -1.411 1.00 64.23 H new ATOM 0 HD13 ILE A 83 -3.853 -4.450 -2.150 1.00 64.23 H new ATOM 1221 N ILE A 84 -5.776 -6.427 2.273 1.00 31.21 N ATOM 1222 CA ILE A 84 -6.854 -5.773 3.020 1.00 0.01 C ATOM 1223 C ILE A 84 -7.199 -4.445 2.319 1.00 71.33 C ATOM 1224 O ILE A 84 -6.294 -3.724 1.884 1.00 12.43 O ATOM 1225 CB ILE A 84 -6.396 -5.562 4.485 1.00 34.42 C ATOM 1226 CG1 ILE A 84 -6.002 -6.872 5.205 1.00 15.23 C ATOM 1227 CG2 ILE A 84 -7.470 -4.859 5.332 1.00 33.40 C ATOM 1228 CD1 ILE A 84 -7.155 -7.865 5.409 1.00 61.23 C ATOM 0 H ILE A 84 -4.846 -6.208 2.630 1.00 31.21 H new ATOM 0 HA ILE A 84 -7.754 -6.388 3.041 1.00 0.01 H new ATOM 0 HB ILE A 84 -5.511 -4.932 4.400 1.00 34.42 H new ATOM 0 HG12 ILE A 84 -5.215 -7.363 4.632 1.00 15.23 H new ATOM 0 HG13 ILE A 84 -5.579 -6.622 6.178 1.00 15.23 H new ATOM 0 HG21 ILE A 84 -7.105 -4.733 6.351 1.00 33.40 H new ATOM 0 HG22 ILE A 84 -7.691 -3.882 4.902 1.00 33.40 H new ATOM 0 HG23 ILE A 84 -8.377 -5.463 5.344 1.00 33.40 H new ATOM 0 HD11 ILE A 84 -6.784 -8.753 5.921 1.00 61.23 H new ATOM 0 HD12 ILE A 84 -7.935 -7.398 6.010 1.00 61.23 H new ATOM 0 HD13 ILE A 84 -7.565 -8.150 4.440 1.00 61.23 H new ATOM 1239 N VAL A 85 -8.486 -4.075 2.277 1.00 41.44 N ATOM 1240 CA VAL A 85 -8.979 -2.803 1.727 1.00 72.21 C ATOM 1241 C VAL A 85 -8.493 -1.546 2.476 1.00 11.41 C ATOM 1242 O VAL A 85 -8.811 -0.436 2.054 1.00 41.30 O ATOM 1243 CB VAL A 85 -10.522 -2.808 1.648 1.00 2.03 C ATOM 1244 CG1 VAL A 85 -11.055 -3.938 0.781 1.00 0.35 C ATOM 1245 CG2 VAL A 85 -11.225 -2.880 3.011 1.00 23.40 C ATOM 0 H VAL A 85 -9.235 -4.668 2.635 1.00 41.44 H new ATOM 0 HA VAL A 85 -8.549 -2.738 0.728 1.00 72.21 H new ATOM 0 HB VAL A 85 -10.755 -1.844 1.196 1.00 2.03 H new ATOM 0 HG11 VAL A 85 -12.144 -3.897 0.759 1.00 0.35 H new ATOM 0 HG12 VAL A 85 -10.667 -3.833 -0.232 1.00 0.35 H new ATOM 0 HG13 VAL A 85 -10.737 -4.895 1.194 1.00 0.35 H new ATOM 0 HG21 VAL A 85 -12.305 -2.879 2.864 1.00 23.40 H new ATOM 0 HG22 VAL A 85 -10.930 -3.795 3.525 1.00 23.40 H new ATOM 0 HG23 VAL A 85 -10.940 -2.017 3.613 1.00 23.40 H new ATOM 1255 N GLN A 86 -7.754 -1.692 3.578 1.00 12.31 N ATOM 1256 CA GLN A 86 -7.409 -0.639 4.532 1.00 52.05 C ATOM 1257 C GLN A 86 -6.924 0.647 3.881 1.00 72.41 C ATOM 1258 O GLN A 86 -7.434 1.712 4.238 1.00 20.41 O ATOM 1259 CB GLN A 86 -6.359 -1.156 5.533 1.00 22.20 C ATOM 1260 CG GLN A 86 -6.920 -1.473 6.922 1.00 43.31 C ATOM 1261 CD GLN A 86 -7.306 -0.216 7.695 1.00 4.43 C ATOM 1262 OE1 GLN A 86 -8.453 0.224 7.699 1.00 52.33 O ATOM 1263 NE2 GLN A 86 -6.351 0.413 8.358 1.00 52.32 N ATOM 0 H GLN A 86 -7.360 -2.595 3.841 1.00 12.31 H new ATOM 0 HA GLN A 86 -8.333 -0.385 5.052 1.00 52.05 H new ATOM 0 HB2 GLN A 86 -5.897 -2.055 5.126 1.00 22.20 H new ATOM 0 HB3 GLN A 86 -5.571 -0.410 5.633 1.00 22.20 H new ATOM 0 HG2 GLN A 86 -7.794 -2.116 6.820 1.00 43.31 H new ATOM 0 HG3 GLN A 86 -6.178 -2.033 7.491 1.00 43.31 H new ATOM 0 HE21 GLN A 86 -5.400 0.045 8.353 1.00 52.32 H new ATOM 0 HE22 GLN A 86 -6.566 1.266 8.875 1.00 52.32 H new ATOM 1270 N ALA A 87 -5.938 0.548 2.976 1.00 60.12 N ATOM 1271 CA ALA A 87 -5.198 1.660 2.422 1.00 73.51 C ATOM 1272 C ALA A 87 -4.499 2.442 3.539 1.00 34.53 C ATOM 1273 O ALA A 87 -4.663 2.175 4.737 1.00 64.21 O ATOM 1274 CB ALA A 87 -6.130 2.504 1.546 1.00 63.24 C ATOM 0 H ALA A 87 -5.633 -0.351 2.604 1.00 60.12 H new ATOM 0 HA ALA A 87 -4.398 1.308 1.771 1.00 73.51 H new ATOM 0 HB1 ALA A 87 -5.575 3.343 1.127 1.00 63.24 H new ATOM 0 HB2 ALA A 87 -6.524 1.889 0.737 1.00 63.24 H new ATOM 0 HB3 ALA A 87 -6.955 2.881 2.150 1.00 63.24 H new ATOM 1280 N SER A 88 -3.696 3.414 3.144 1.00 41.25 N ATOM 1281 CA SER A 88 -3.452 4.538 4.032 1.00 33.52 C ATOM 1282 C SER A 88 -4.572 5.545 3.785 1.00 21.34 C ATOM 1283 O SER A 88 -5.194 5.567 2.716 1.00 20.31 O ATOM 1284 CB SER A 88 -2.074 5.158 3.778 1.00 35.40 C ATOM 1285 OG SER A 88 -1.538 5.664 4.981 1.00 72.51 O ATOM 0 H SER A 88 -3.216 3.451 2.245 1.00 41.25 H new ATOM 0 HA SER A 88 -3.449 4.215 5.073 1.00 33.52 H new ATOM 0 HB2 SER A 88 -1.402 4.409 3.359 1.00 35.40 H new ATOM 0 HB3 SER A 88 -2.157 5.959 3.043 1.00 35.40 H new ATOM 0 HG SER A 88 -0.657 6.056 4.807 1.00 72.51 H new ATOM 1290 N GLN A 89 -4.841 6.384 4.769 1.00 62.42 N ATOM 1291 CA GLN A 89 -5.808 7.480 4.737 1.00 41.31 C ATOM 1292 C GLN A 89 -5.215 8.622 5.550 1.00 54.24 C ATOM 1293 O GLN A 89 -4.219 8.406 6.250 1.00 3.13 O ATOM 1294 CB GLN A 89 -7.219 7.074 5.202 1.00 53.14 C ATOM 1295 CG GLN A 89 -7.288 5.880 6.134 1.00 11.41 C ATOM 1296 CD GLN A 89 -6.509 6.058 7.434 1.00 33.30 C ATOM 1297 OE1 GLN A 89 -5.338 5.695 7.536 1.00 64.41 O ATOM 1298 NE2 GLN A 89 -7.131 6.601 8.467 1.00 12.22 N ATOM 0 H GLN A 89 -4.364 6.319 5.668 1.00 62.42 H new ATOM 0 HA GLN A 89 -5.970 7.796 3.706 1.00 41.31 H new ATOM 0 HB2 GLN A 89 -7.676 7.928 5.702 1.00 53.14 H new ATOM 0 HB3 GLN A 89 -7.824 6.859 4.321 1.00 53.14 H new ATOM 0 HG2 GLN A 89 -8.332 5.680 6.373 1.00 11.41 H new ATOM 0 HG3 GLN A 89 -6.907 5.003 5.612 1.00 11.41 H new ATOM 0 HE21 GLN A 89 -8.102 6.901 8.378 1.00 12.22 H new ATOM 0 HE22 GLN A 89 -6.640 6.720 9.353 1.00 12.22 H new ATOM 1305 N ALA A 90 -5.797 9.818 5.484 1.00 71.12 N ATOM 1306 CA ALA A 90 -5.345 10.947 6.290 1.00 1.02 C ATOM 1307 C ALA A 90 -5.680 10.720 7.772 1.00 63.22 C ATOM 1308 O ALA A 90 -6.599 9.969 8.099 1.00 32.51 O ATOM 1309 CB ALA A 90 -6.015 12.217 5.758 1.00 43.23 C ATOM 0 H ALA A 90 -6.588 10.029 4.876 1.00 71.12 H new ATOM 0 HA ALA A 90 -4.262 11.050 6.217 1.00 1.02 H new ATOM 0 HB1 ALA A 90 -5.690 13.074 6.348 1.00 43.23 H new ATOM 0 HB2 ALA A 90 -5.735 12.367 4.715 1.00 43.23 H new ATOM 0 HB3 ALA A 90 -7.098 12.115 5.832 1.00 43.23 H new ATOM 1315 N GLU A 91 -4.975 11.412 8.674 1.00 63.23 N ATOM 1316 CA GLU A 91 -5.344 11.590 10.084 1.00 32.14 C ATOM 1317 C GLU A 91 -5.907 13.011 10.321 1.00 34.42 C ATOM 1318 O GLU A 91 -6.026 13.483 11.461 1.00 20.34 O ATOM 1319 CB GLU A 91 -4.123 11.284 10.986 1.00 2.10 C ATOM 1320 CG GLU A 91 -4.546 10.608 12.306 1.00 44.02 C ATOM 1321 CD GLU A 91 -3.663 10.975 13.504 1.00 72.31 C ATOM 1322 OE1 GLU A 91 -3.930 12.018 14.139 1.00 35.51 O ATOM 1323 OE2 GLU A 91 -2.752 10.189 13.877 1.00 63.31 O ATOM 0 H GLU A 91 -4.101 11.880 8.434 1.00 63.23 H new ATOM 0 HA GLU A 91 -6.135 10.888 10.347 1.00 32.14 H new ATOM 0 HB2 GLU A 91 -3.428 10.636 10.451 1.00 2.10 H new ATOM 0 HB3 GLU A 91 -3.591 12.210 11.205 1.00 2.10 H new ATOM 0 HG2 GLU A 91 -5.577 10.883 12.529 1.00 44.02 H new ATOM 0 HG3 GLU A 91 -4.527 9.527 12.171 1.00 44.02 H new ATOM 1328 N LYS A 92 -6.189 13.724 9.227 1.00 63.35 N ATOM 1329 CA LYS A 92 -6.502 15.154 9.176 1.00 41.24 C ATOM 1330 C LYS A 92 -7.967 15.397 9.529 1.00 51.33 C ATOM 1331 O LYS A 92 -8.791 14.488 9.383 1.00 32.40 O ATOM 1332 CB LYS A 92 -6.219 15.681 7.759 1.00 62.34 C ATOM 1333 CG LYS A 92 -4.755 15.497 7.329 1.00 13.01 C ATOM 1334 CD LYS A 92 -3.790 16.449 8.025 1.00 4.23 C ATOM 1335 CE LYS A 92 -2.405 16.341 7.384 1.00 61.31 C ATOM 1336 NZ LYS A 92 -1.410 17.210 8.050 1.00 51.55 N ATOM 0 H LYS A 92 -6.206 13.295 8.302 1.00 63.35 H new ATOM 0 HA LYS A 92 -5.880 15.679 9.901 1.00 41.24 H new ATOM 0 HB2 LYS A 92 -6.867 15.166 7.050 1.00 62.34 H new ATOM 0 HB3 LYS A 92 -6.475 16.740 7.714 1.00 62.34 H new ATOM 0 HG2 LYS A 92 -4.451 14.471 7.535 1.00 13.01 H new ATOM 0 HG3 LYS A 92 -4.681 15.642 6.251 1.00 13.01 H new ATOM 0 HD2 LYS A 92 -4.157 17.473 7.950 1.00 4.23 H new ATOM 0 HD3 LYS A 92 -3.730 16.209 9.086 1.00 4.23 H new ATOM 0 HE2 LYS A 92 -2.067 15.306 7.427 1.00 61.31 H new ATOM 0 HE3 LYS A 92 -2.473 16.611 6.330 1.00 61.31 H new ATOM 0 HZ1 LYS A 92 -0.487 17.103 7.582 1.00 51.55 H new ATOM 0 HZ2 LYS A 92 -1.718 18.201 7.987 1.00 51.55 H new ATOM 0 HZ3 LYS A 92 -1.324 16.937 9.050 1.00 51.55 H new ATOM 1346 N ASN A 93 -8.296 16.616 9.958 1.00 0.14 N ATOM 1347 CA ASN A 93 -9.670 17.103 10.120 1.00 43.12 C ATOM 1348 C ASN A 93 -9.730 18.639 9.979 1.00 24.22 C ATOM 1349 O ASN A 93 -10.656 19.282 10.487 1.00 71.21 O ATOM 1350 CB ASN A 93 -10.285 16.606 11.450 1.00 53.41 C ATOM 1351 CG ASN A 93 -11.799 16.389 11.369 1.00 53.25 C ATOM 1352 OD1 ASN A 93 -12.310 15.373 11.829 1.00 61.23 O ATOM 1353 ND2 ASN A 93 -12.566 17.310 10.816 1.00 12.13 N ATOM 0 H ASN A 93 -7.595 17.313 10.210 1.00 0.14 H new ATOM 0 HA ASN A 93 -10.280 16.686 9.318 1.00 43.12 H new ATOM 0 HB2 ASN A 93 -9.805 15.671 11.738 1.00 53.41 H new ATOM 0 HB3 ASN A 93 -10.069 17.330 12.236 1.00 53.41 H new ATOM 0 HD21 ASN A 93 -13.576 17.174 10.773 1.00 12.13 H new ATOM 0 HD22 ASN A 93 -12.149 18.158 10.431 1.00 12.13 H new ATOM 1359 N ARG A 94 -8.722 19.273 9.370 1.00 44.05 N ATOM 1360 CA ARG A 94 -8.673 20.709 9.132 1.00 41.33 C ATOM 1361 C ARG A 94 -7.881 20.985 7.871 1.00 55.05 C ATOM 1362 O ARG A 94 -7.739 22.160 7.509 1.00 55.21 O ATOM 1363 CB ARG A 94 -8.094 21.467 10.342 1.00 40.02 C ATOM 1364 CG ARG A 94 -6.641 21.095 10.679 1.00 0.00 C ATOM 1365 CD ARG A 94 -5.977 22.204 11.509 1.00 41.43 C ATOM 1366 NE ARG A 94 -4.577 21.881 11.818 1.00 44.33 N ATOM 1367 CZ ARG A 94 -3.565 21.802 10.944 1.00 0.12 C ATOM 1368 NH1 ARG A 94 -3.682 22.212 9.688 1.00 72.23 N ATOM 1369 NH2 ARG A 94 -2.410 21.291 11.339 1.00 32.00 N ATOM 0 H ARG A 94 -7.898 18.783 9.022 1.00 44.05 H new ATOM 0 HA ARG A 94 -9.690 21.076 8.995 1.00 41.33 H new ATOM 0 HB2 ARG A 94 -8.147 22.538 10.146 1.00 40.02 H new ATOM 0 HB3 ARG A 94 -8.719 21.271 11.213 1.00 40.02 H new ATOM 0 HG2 ARG A 94 -6.619 20.156 11.233 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.078 20.935 9.759 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.022 23.146 10.962 1.00 41.43 H new ATOM 0 HD3 ARG A 94 -6.532 22.347 12.436 1.00 41.43 H new ATOM 0 HE ARG A 94 -4.353 21.699 12.796 1.00 44.33 H new ATOM 0 HH11 ARG A 94 -4.565 22.603 9.359 1.00 72.23 H new ATOM 0 HH12 ARG A 94 -2.889 22.136 9.051 1.00 72.23 H new ATOM 0 HH21 ARG A 94 -2.299 20.963 12.299 1.00 32.00 H new ATOM 0 HH22 ARG A 94 -1.631 21.225 10.684 1.00 32.00 H new TER 1380 ARG A 94