USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 76 GLN :FLIP amide:sc= 0 F(o=1.9,f=2.5) USER MOD Set 1.2: A 83 CYS SG : rot 29:sc= 1.13 USER MOD Set 1.3: A 85 TYR OH : rot 126:sc= 1.37 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 12 HIS : no HD1:sc=-0.00753 X(o=-0.0075,f=-0.27) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 28:sc= 0.144 USER MOD Single : A 20 SER OG : rot -36:sc= 0.692 USER MOD Single : A 22 CYS SG : rot -25:sc= 0.34 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 90:sc= -1.75 USER MOD Single : A 39 TYR OH : rot 40:sc= 0.103 USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= -0.26 (180deg=-0.46) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.37 F(o=-1.2,f=-0.37) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0369 F(o=-2.3!,f=-0.037) USER MOD Single : A 59 HIS :FLIP no HD1:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 67 THR OG1 : rot 90:sc= -0.0719 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0.016) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 133:sc= -2.06! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -18.030 -15.597 -7.349 1.00 55.31 N ATOM 2 CA HIS A 1 -17.950 -15.727 -5.868 1.00 53.25 C ATOM 3 C HIS A 1 -16.475 -15.968 -5.439 1.00 65.22 C ATOM 4 O HIS A 1 -16.014 -17.112 -5.370 1.00 51.30 O ATOM 5 CB HIS A 1 -18.899 -16.875 -5.400 1.00 62.24 C ATOM 6 CG HIS A 1 -19.060 -17.017 -3.901 1.00 71.33 C ATOM 7 ND1 HIS A 1 -20.079 -16.411 -3.191 1.00 23.52 N ATOM 8 CD2 HIS A 1 -18.346 -17.720 -2.986 1.00 31.24 C ATOM 9 CE1 HIS A 1 -19.983 -16.735 -1.920 1.00 35.50 C ATOM 10 NE2 HIS A 1 -18.943 -17.525 -1.769 1.00 31.31 N ATOM 0 H1 HIS A 1 -19.018 -15.436 -7.630 1.00 55.31 H new ATOM 0 H2 HIS A 1 -17.446 -14.794 -7.659 1.00 55.31 H new ATOM 0 H3 HIS A 1 -17.681 -16.470 -7.793 1.00 55.31 H new ATOM 0 HA HIS A 1 -18.279 -14.806 -5.387 1.00 53.25 H new ATOM 0 HB2 HIS A 1 -19.883 -16.711 -5.840 1.00 62.24 H new ATOM 0 HB3 HIS A 1 -18.524 -17.818 -5.799 1.00 62.24 H new ATOM 0 HD2 HIS A 1 -17.470 -18.321 -3.181 1.00 31.24 H new ATOM 0 HE1 HIS A 1 -20.646 -16.407 -1.133 1.00 35.50 H new ATOM 0 HE2 HIS A 1 -18.630 -17.929 -0.886 1.00 31.31 H new ATOM 19 N MET A 2 -15.725 -14.868 -5.198 1.00 42.53 N ATOM 20 CA MET A 2 -14.285 -14.932 -4.821 1.00 22.32 C ATOM 21 C MET A 2 -14.047 -14.452 -3.355 1.00 62.14 C ATOM 22 O MET A 2 -14.521 -13.375 -2.964 1.00 55.41 O ATOM 23 CB MET A 2 -13.420 -14.098 -5.817 1.00 13.04 C ATOM 24 CG MET A 2 -13.709 -12.589 -5.866 1.00 3.43 C ATOM 25 SD MET A 2 -12.568 -11.699 -6.955 1.00 54.15 S ATOM 26 CE MET A 2 -13.080 -9.997 -6.695 1.00 60.34 C ATOM 0 H MET A 2 -16.092 -13.918 -5.257 1.00 42.53 H new ATOM 0 HA MET A 2 -13.978 -15.976 -4.878 1.00 22.32 H new ATOM 0 HB2 MET A 2 -12.370 -14.238 -5.559 1.00 13.04 H new ATOM 0 HB3 MET A 2 -13.560 -14.507 -6.818 1.00 13.04 H new ATOM 0 HG2 MET A 2 -14.732 -12.429 -6.208 1.00 3.43 H new ATOM 0 HG3 MET A 2 -13.641 -12.177 -4.859 1.00 3.43 H new ATOM 0 HE1 MET A 2 -12.464 -9.335 -7.303 1.00 60.34 H new ATOM 0 HE2 MET A 2 -14.126 -9.884 -6.981 1.00 60.34 H new ATOM 0 HE3 MET A 2 -12.962 -9.738 -5.643 1.00 60.34 H new ATOM 36 N PRO A 3 -13.352 -15.267 -2.494 1.00 44.44 N ATOM 37 CA PRO A 3 -12.905 -14.821 -1.159 1.00 42.22 C ATOM 38 C PRO A 3 -11.465 -14.214 -1.192 1.00 62.41 C ATOM 39 O PRO A 3 -10.463 -14.932 -1.072 1.00 53.14 O ATOM 40 CB PRO A 3 -13.000 -16.135 -0.343 1.00 50.41 C ATOM 41 CG PRO A 3 -12.669 -17.234 -1.327 1.00 72.11 C ATOM 42 CD PRO A 3 -12.989 -16.696 -2.722 1.00 4.14 C ATOM 0 HA PRO A 3 -13.498 -14.011 -0.735 1.00 42.22 H new ATOM 0 HB2 PRO A 3 -12.301 -16.131 0.493 1.00 50.41 H new ATOM 0 HB3 PRO A 3 -13.998 -16.268 0.076 1.00 50.41 H new ATOM 0 HG2 PRO A 3 -11.618 -17.514 -1.253 1.00 72.11 H new ATOM 0 HG3 PRO A 3 -13.253 -18.130 -1.116 1.00 72.11 H new ATOM 0 HD2 PRO A 3 -12.132 -16.787 -3.389 1.00 4.14 H new ATOM 0 HD3 PRO A 3 -13.810 -17.246 -3.181 1.00 4.14 H new ATOM 50 N VAL A 4 -11.371 -12.882 -1.397 1.00 73.44 N ATOM 51 CA VAL A 4 -10.073 -12.166 -1.485 1.00 74.23 C ATOM 52 C VAL A 4 -9.884 -11.186 -0.295 1.00 23.34 C ATOM 53 O VAL A 4 -10.448 -10.088 -0.253 1.00 63.33 O ATOM 54 CB VAL A 4 -9.899 -11.434 -2.881 1.00 73.23 C ATOM 55 CG1 VAL A 4 -11.120 -10.550 -3.241 1.00 50.54 C ATOM 56 CG2 VAL A 4 -8.566 -10.630 -2.936 1.00 32.54 C ATOM 0 H VAL A 4 -12.183 -12.275 -1.506 1.00 73.44 H new ATOM 0 HA VAL A 4 -9.284 -12.915 -1.418 1.00 74.23 H new ATOM 0 HB VAL A 4 -9.847 -12.211 -3.643 1.00 73.23 H new ATOM 0 HG11 VAL A 4 -10.951 -10.071 -4.205 1.00 50.54 H new ATOM 0 HG12 VAL A 4 -12.015 -11.170 -3.296 1.00 50.54 H new ATOM 0 HG13 VAL A 4 -11.254 -9.786 -2.475 1.00 50.54 H new ATOM 0 HG21 VAL A 4 -8.476 -10.140 -3.905 1.00 32.54 H new ATOM 0 HG22 VAL A 4 -8.562 -9.878 -2.147 1.00 32.54 H new ATOM 0 HG23 VAL A 4 -7.725 -11.309 -2.794 1.00 32.54 H new ATOM 66 N HIS A 5 -9.095 -11.631 0.697 1.00 22.44 N ATOM 67 CA HIS A 5 -8.737 -10.824 1.885 1.00 54.21 C ATOM 68 C HIS A 5 -7.272 -10.362 1.809 1.00 14.30 C ATOM 69 O HIS A 5 -6.452 -10.944 1.090 1.00 65.14 O ATOM 70 CB HIS A 5 -9.003 -11.622 3.190 1.00 45.54 C ATOM 71 CG HIS A 5 -10.467 -11.858 3.468 1.00 24.12 C ATOM 72 ND1 HIS A 5 -11.120 -11.333 4.564 1.00 74.34 N ATOM 73 CD2 HIS A 5 -11.407 -12.554 2.780 1.00 63.35 C ATOM 74 CE1 HIS A 5 -12.385 -11.692 4.534 1.00 5.22 C ATOM 75 NE2 HIS A 5 -12.590 -12.428 3.465 1.00 11.01 N ATOM 0 H HIS A 5 -8.684 -12.564 0.701 1.00 22.44 H new ATOM 0 HA HIS A 5 -9.368 -9.936 1.898 1.00 54.21 H new ATOM 0 HB2 HIS A 5 -8.494 -12.584 3.127 1.00 45.54 H new ATOM 0 HB3 HIS A 5 -8.565 -11.084 4.030 1.00 45.54 H new ATOM 0 HD2 HIS A 5 -11.253 -13.105 1.864 1.00 63.35 H new ATOM 0 HE1 HIS A 5 -13.132 -11.426 5.267 1.00 5.22 H new ATOM 0 HE2 HIS A 5 -13.482 -12.839 3.189 1.00 11.01 H new ATOM 84 N ILE A 6 -6.962 -9.306 2.561 1.00 52.24 N ATOM 85 CA ILE A 6 -5.636 -8.663 2.553 1.00 4.12 C ATOM 86 C ILE A 6 -4.702 -9.308 3.613 1.00 34.45 C ATOM 87 O ILE A 6 -4.934 -9.193 4.822 1.00 54.30 O ATOM 88 CB ILE A 6 -5.806 -7.119 2.789 1.00 12.11 C ATOM 89 CG1 ILE A 6 -6.639 -6.487 1.624 1.00 71.10 C ATOM 90 CG2 ILE A 6 -4.448 -6.412 2.948 1.00 61.31 C ATOM 91 CD1 ILE A 6 -6.848 -4.985 1.708 1.00 23.40 C ATOM 0 H ILE A 6 -7.624 -8.865 3.199 1.00 52.24 H new ATOM 0 HA ILE A 6 -5.165 -8.815 1.582 1.00 4.12 H new ATOM 0 HB ILE A 6 -6.348 -6.978 3.724 1.00 12.11 H new ATOM 0 HG12 ILE A 6 -6.142 -6.715 0.681 1.00 71.10 H new ATOM 0 HG13 ILE A 6 -7.615 -6.971 1.595 1.00 71.10 H new ATOM 0 HG21 ILE A 6 -4.609 -5.346 3.109 1.00 61.31 H new ATOM 0 HG22 ILE A 6 -3.917 -6.832 3.802 1.00 61.31 H new ATOM 0 HG23 ILE A 6 -3.855 -6.557 2.045 1.00 61.31 H new ATOM 0 HD11 ILE A 6 -7.436 -4.651 0.853 1.00 23.40 H new ATOM 0 HD12 ILE A 6 -7.377 -4.742 2.630 1.00 23.40 H new ATOM 0 HD13 ILE A 6 -5.881 -4.482 1.701 1.00 23.40 H new ATOM 103 N VAL A 7 -3.659 -10.019 3.129 1.00 32.03 N ATOM 104 CA VAL A 7 -2.656 -10.700 3.990 1.00 21.24 C ATOM 105 C VAL A 7 -1.604 -9.705 4.554 1.00 45.55 C ATOM 106 O VAL A 7 -1.153 -9.834 5.699 1.00 63.54 O ATOM 107 CB VAL A 7 -1.934 -11.875 3.213 1.00 53.00 C ATOM 108 CG1 VAL A 7 -2.915 -13.036 2.911 1.00 43.43 C ATOM 109 CG2 VAL A 7 -1.252 -11.377 1.906 1.00 72.52 C ATOM 0 H VAL A 7 -3.486 -10.139 2.131 1.00 32.03 H new ATOM 0 HA VAL A 7 -3.202 -11.124 4.832 1.00 21.24 H new ATOM 0 HB VAL A 7 -1.149 -12.252 3.869 1.00 53.00 H new ATOM 0 HG11 VAL A 7 -2.389 -13.827 2.377 1.00 43.43 H new ATOM 0 HG12 VAL A 7 -3.311 -13.431 3.847 1.00 43.43 H new ATOM 0 HG13 VAL A 7 -3.737 -12.668 2.297 1.00 43.43 H new ATOM 0 HG21 VAL A 7 -0.769 -12.216 1.405 1.00 72.52 H new ATOM 0 HG22 VAL A 7 -2.003 -10.944 1.246 1.00 72.52 H new ATOM 0 HG23 VAL A 7 -0.505 -10.622 2.150 1.00 72.52 H new ATOM 119 N ASP A 8 -1.227 -8.716 3.733 1.00 25.22 N ATOM 120 CA ASP A 8 -0.240 -7.680 4.087 1.00 32.44 C ATOM 121 C ASP A 8 -0.860 -6.294 3.788 1.00 21.33 C ATOM 122 O ASP A 8 -1.460 -6.129 2.741 1.00 54.24 O ATOM 123 CB ASP A 8 1.061 -7.909 3.272 1.00 73.34 C ATOM 124 CG ASP A 8 2.202 -6.969 3.689 1.00 51.12 C ATOM 125 OD1 ASP A 8 2.817 -7.223 4.752 1.00 72.14 O ATOM 126 OD2 ASP A 8 2.465 -5.963 2.992 1.00 40.44 O ATOM 0 H ASP A 8 -1.603 -8.609 2.791 1.00 25.22 H new ATOM 0 HA ASP A 8 0.016 -7.730 5.145 1.00 32.44 H new ATOM 0 HB2 ASP A 8 1.385 -8.942 3.397 1.00 73.34 H new ATOM 0 HB3 ASP A 8 0.849 -7.767 2.212 1.00 73.34 H new ATOM 131 N PRO A 9 -0.772 -5.272 4.687 1.00 5.30 N ATOM 132 CA PRO A 9 -0.052 -5.310 5.984 1.00 35.13 C ATOM 133 C PRO A 9 -0.969 -5.656 7.187 1.00 64.31 C ATOM 134 O PRO A 9 -0.607 -5.383 8.340 1.00 2.42 O ATOM 135 CB PRO A 9 0.445 -3.851 6.059 1.00 61.43 C ATOM 136 CG PRO A 9 -0.712 -3.056 5.516 1.00 62.34 C ATOM 137 CD PRO A 9 -1.406 -3.938 4.490 1.00 31.44 C ATOM 0 HA PRO A 9 0.721 -6.077 6.035 1.00 35.13 H new ATOM 0 HB2 PRO A 9 0.686 -3.561 7.082 1.00 61.43 H new ATOM 0 HB3 PRO A 9 1.347 -3.703 5.465 1.00 61.43 H new ATOM 0 HG2 PRO A 9 -1.399 -2.778 6.315 1.00 62.34 H new ATOM 0 HG3 PRO A 9 -0.364 -2.130 5.058 1.00 62.34 H new ATOM 0 HD2 PRO A 9 -2.482 -3.977 4.658 1.00 31.44 H new ATOM 0 HD3 PRO A 9 -1.255 -3.568 3.476 1.00 31.44 H new ATOM 145 N ARG A 10 -2.144 -6.267 6.891 1.00 3.54 N ATOM 146 CA ARG A 10 -3.213 -6.534 7.873 1.00 65.12 C ATOM 147 C ARG A 10 -3.704 -5.186 8.512 1.00 63.23 C ATOM 148 O ARG A 10 -3.951 -5.083 9.718 1.00 62.20 O ATOM 149 CB ARG A 10 -2.714 -7.611 8.902 1.00 4.51 C ATOM 150 CG ARG A 10 -3.800 -8.535 9.517 1.00 63.32 C ATOM 151 CD ARG A 10 -4.603 -7.884 10.664 1.00 63.41 C ATOM 152 NE ARG A 10 -3.708 -7.226 11.642 1.00 51.02 N ATOM 153 CZ ARG A 10 -3.422 -7.653 12.848 1.00 5.50 C ATOM 154 NH1 ARG A 10 -3.955 -8.724 13.332 1.00 64.12 N ATOM 155 NH2 ARG A 10 -2.580 -7.001 13.566 1.00 33.52 N ATOM 0 H ARG A 10 -2.373 -6.590 5.951 1.00 3.54 H new ATOM 0 HA ARG A 10 -4.094 -6.961 7.394 1.00 65.12 H new ATOM 0 HB2 ARG A 10 -1.972 -8.238 8.407 1.00 4.51 H new ATOM 0 HB3 ARG A 10 -2.204 -7.095 9.716 1.00 4.51 H new ATOM 0 HG2 ARG A 10 -4.491 -8.839 8.731 1.00 63.32 H new ATOM 0 HG3 ARG A 10 -3.323 -9.441 9.890 1.00 63.32 H new ATOM 0 HD2 ARG A 10 -5.298 -7.151 10.254 1.00 63.41 H new ATOM 0 HD3 ARG A 10 -5.201 -8.643 11.168 1.00 63.41 H new ATOM 0 HE ARG A 10 -3.270 -6.353 11.348 1.00 51.02 H new ATOM 0 HH11 ARG A 10 -4.617 -9.262 12.773 1.00 64.12 H new ATOM 0 HH12 ARG A 10 -3.714 -9.033 14.274 1.00 64.12 H new ATOM 0 HH21 ARG A 10 -2.140 -6.158 13.197 1.00 33.52 H new ATOM 0 HH22 ARG A 10 -2.352 -7.326 14.505 1.00 33.52 H new ATOM 169 N GLU A 11 -3.812 -4.137 7.645 1.00 3.35 N ATOM 170 CA GLU A 11 -4.435 -2.820 7.978 1.00 41.24 C ATOM 171 C GLU A 11 -3.664 -2.022 9.082 1.00 74.44 C ATOM 172 O GLU A 11 -2.623 -2.468 9.577 1.00 30.32 O ATOM 173 CB GLU A 11 -5.948 -3.011 8.353 1.00 34.44 C ATOM 174 CG GLU A 11 -6.905 -3.377 7.185 1.00 62.25 C ATOM 175 CD GLU A 11 -6.621 -4.751 6.532 1.00 43.12 C ATOM 176 OE1 GLU A 11 -7.083 -5.783 7.070 1.00 40.25 O ATOM 177 OE2 GLU A 11 -5.912 -4.800 5.504 1.00 53.02 O ATOM 0 H GLU A 11 -3.466 -4.183 6.687 1.00 3.35 H new ATOM 0 HA GLU A 11 -4.368 -2.206 7.080 1.00 41.24 H new ATOM 0 HB2 GLU A 11 -6.017 -3.792 9.110 1.00 34.44 H new ATOM 0 HB3 GLU A 11 -6.306 -2.090 8.813 1.00 34.44 H new ATOM 0 HG2 GLU A 11 -7.930 -3.369 7.555 1.00 62.25 H new ATOM 0 HG3 GLU A 11 -6.837 -2.604 6.420 1.00 62.25 H new ATOM 184 N HIS A 12 -4.206 -0.820 9.429 1.00 63.44 N ATOM 185 CA HIS A 12 -3.671 0.130 10.455 1.00 64.03 C ATOM 186 C HIS A 12 -2.129 0.363 10.372 1.00 51.25 C ATOM 187 O HIS A 12 -1.337 -0.258 11.095 1.00 72.01 O ATOM 188 CB HIS A 12 -4.161 -0.221 11.906 1.00 31.30 C ATOM 189 CG HIS A 12 -3.757 -1.577 12.456 1.00 4.12 C ATOM 190 ND1 HIS A 12 -4.430 -2.749 12.158 1.00 74.51 N ATOM 191 CD2 HIS A 12 -2.766 -1.938 13.313 1.00 52.52 C ATOM 192 CE1 HIS A 12 -3.872 -3.755 12.795 1.00 61.41 C ATOM 193 NE2 HIS A 12 -2.864 -3.292 13.505 1.00 23.32 N ATOM 0 H HIS A 12 -5.057 -0.471 8.988 1.00 63.44 H new ATOM 0 HA HIS A 12 -4.105 1.097 10.202 1.00 64.03 H new ATOM 0 HB2 HIS A 12 -3.788 0.546 12.585 1.00 31.30 H new ATOM 0 HB3 HIS A 12 -5.249 -0.159 11.921 1.00 31.30 H new ATOM 0 HD2 HIS A 12 -2.036 -1.280 13.760 1.00 52.52 H new ATOM 0 HE1 HIS A 12 -4.187 -4.787 12.744 1.00 61.41 H new ATOM 0 HE2 HIS A 12 -2.254 -3.851 14.102 1.00 23.32 H new ATOM 202 N VAL A 13 -1.717 1.245 9.439 1.00 3.15 N ATOM 203 CA VAL A 13 -0.287 1.578 9.207 1.00 61.44 C ATOM 204 C VAL A 13 -0.046 3.087 9.409 1.00 31.21 C ATOM 205 O VAL A 13 -0.408 3.895 8.557 1.00 41.54 O ATOM 206 CB VAL A 13 0.157 1.167 7.757 1.00 51.31 C ATOM 207 CG1 VAL A 13 1.657 1.444 7.503 1.00 11.01 C ATOM 208 CG2 VAL A 13 -0.188 -0.304 7.478 1.00 21.15 C ATOM 0 H VAL A 13 -2.359 1.747 8.825 1.00 3.15 H new ATOM 0 HA VAL A 13 0.307 1.018 9.929 1.00 61.44 H new ATOM 0 HB VAL A 13 -0.402 1.791 7.060 1.00 51.31 H new ATOM 0 HG11 VAL A 13 1.916 1.143 6.488 1.00 11.01 H new ATOM 0 HG12 VAL A 13 1.857 2.508 7.628 1.00 11.01 H new ATOM 0 HG13 VAL A 13 2.257 0.876 8.214 1.00 11.01 H new ATOM 0 HG21 VAL A 13 0.128 -0.567 6.469 1.00 21.15 H new ATOM 0 HG22 VAL A 13 0.327 -0.941 8.197 1.00 21.15 H new ATOM 0 HG23 VAL A 13 -1.264 -0.449 7.570 1.00 21.15 H new ATOM 218 N PHE A 14 0.553 3.459 10.547 1.00 43.51 N ATOM 219 CA PHE A 14 0.925 4.861 10.846 1.00 10.23 C ATOM 220 C PHE A 14 2.420 5.084 10.528 1.00 34.12 C ATOM 221 O PHE A 14 3.294 4.501 11.176 1.00 71.54 O ATOM 222 CB PHE A 14 0.608 5.193 12.330 1.00 23.03 C ATOM 223 CG PHE A 14 -0.888 5.110 12.668 1.00 4.53 C ATOM 224 CD1 PHE A 14 -1.518 3.874 12.849 1.00 23.31 C ATOM 225 CD2 PHE A 14 -1.663 6.264 12.800 1.00 42.12 C ATOM 226 CE1 PHE A 14 -2.868 3.797 13.144 1.00 21.40 C ATOM 227 CE2 PHE A 14 -3.013 6.184 13.096 1.00 71.30 C ATOM 228 CZ PHE A 14 -3.614 4.952 13.272 1.00 72.14 C ATOM 0 H PHE A 14 0.796 2.803 11.290 1.00 43.51 H new ATOM 0 HA PHE A 14 0.339 5.534 10.220 1.00 10.23 H new ATOM 0 HB2 PHE A 14 1.157 4.505 12.974 1.00 23.03 H new ATOM 0 HB3 PHE A 14 0.969 6.197 12.555 1.00 23.03 H new ATOM 0 HD1 PHE A 14 -0.942 2.965 12.757 1.00 23.31 H new ATOM 0 HD2 PHE A 14 -1.203 7.232 12.669 1.00 42.12 H new ATOM 0 HE1 PHE A 14 -3.338 2.833 13.274 1.00 21.40 H new ATOM 0 HE2 PHE A 14 -3.598 7.087 13.190 1.00 71.30 H new ATOM 0 HZ PHE A 14 -4.666 4.893 13.509 1.00 72.14 H new ATOM 238 N VAL A 15 2.698 5.903 9.497 1.00 21.52 N ATOM 239 CA VAL A 15 4.069 6.189 9.023 1.00 35.01 C ATOM 240 C VAL A 15 4.468 7.641 9.371 1.00 2.25 C ATOM 241 O VAL A 15 3.903 8.587 8.817 1.00 32.52 O ATOM 242 CB VAL A 15 4.189 5.995 7.458 1.00 52.25 C ATOM 243 CG1 VAL A 15 5.669 6.030 6.997 1.00 43.35 C ATOM 244 CG2 VAL A 15 3.476 4.706 6.984 1.00 21.05 C ATOM 0 H VAL A 15 1.976 6.389 8.965 1.00 21.52 H new ATOM 0 HA VAL A 15 4.737 5.487 9.523 1.00 35.01 H new ATOM 0 HB VAL A 15 3.679 6.835 6.987 1.00 52.25 H new ATOM 0 HG11 VAL A 15 5.717 5.894 5.917 1.00 43.35 H new ATOM 0 HG12 VAL A 15 6.110 6.991 7.261 1.00 43.35 H new ATOM 0 HG13 VAL A 15 6.222 5.230 7.488 1.00 43.35 H new ATOM 0 HG21 VAL A 15 3.581 4.608 5.903 1.00 21.05 H new ATOM 0 HG22 VAL A 15 3.926 3.841 7.472 1.00 21.05 H new ATOM 0 HG23 VAL A 15 2.418 4.759 7.242 1.00 21.05 H new ATOM 254 N HIS A 16 5.423 7.815 10.297 1.00 44.12 N ATOM 255 CA HIS A 16 6.009 9.139 10.590 1.00 34.24 C ATOM 256 C HIS A 16 7.192 9.428 9.638 1.00 64.42 C ATOM 257 O HIS A 16 8.059 8.573 9.436 1.00 2.21 O ATOM 258 CB HIS A 16 6.481 9.230 12.062 1.00 72.30 C ATOM 259 CG HIS A 16 7.118 10.555 12.410 1.00 72.42 C ATOM 260 ND1 HIS A 16 8.425 10.683 12.826 1.00 35.13 N ATOM 261 CD2 HIS A 16 6.626 11.816 12.357 1.00 2.50 C ATOM 262 CE1 HIS A 16 8.707 11.952 13.010 1.00 33.12 C ATOM 263 NE2 HIS A 16 7.637 12.661 12.735 1.00 21.15 N ATOM 0 H HIS A 16 5.809 7.056 10.859 1.00 44.12 H new ATOM 0 HA HIS A 16 5.233 9.888 10.433 1.00 34.24 H new ATOM 0 HB2 HIS A 16 5.628 9.062 12.720 1.00 72.30 H new ATOM 0 HB3 HIS A 16 7.196 8.430 12.256 1.00 72.30 H new ATOM 0 HD2 HIS A 16 5.625 12.102 12.071 1.00 2.50 H new ATOM 0 HE1 HIS A 16 9.659 12.346 13.333 1.00 33.12 H new ATOM 0 HE2 HIS A 16 7.569 13.677 12.793 1.00 21.15 H new ATOM 272 N ALA A 17 7.219 10.653 9.087 1.00 71.24 N ATOM 273 CA ALA A 17 8.316 11.135 8.221 1.00 63.42 C ATOM 274 C ALA A 17 8.540 12.653 8.396 1.00 3.42 C ATOM 275 O ALA A 17 7.747 13.342 9.046 1.00 43.55 O ATOM 276 CB ALA A 17 8.031 10.790 6.749 1.00 73.23 C ATOM 0 H ALA A 17 6.480 11.341 9.228 1.00 71.24 H new ATOM 0 HA ALA A 17 9.233 10.628 8.523 1.00 63.42 H new ATOM 0 HB1 ALA A 17 8.849 11.152 6.126 1.00 73.23 H new ATOM 0 HB2 ALA A 17 7.942 9.709 6.639 1.00 73.23 H new ATOM 0 HB3 ALA A 17 7.100 11.264 6.438 1.00 73.23 H new ATOM 282 N ILE A 18 9.656 13.147 7.842 1.00 75.20 N ATOM 283 CA ILE A 18 9.958 14.599 7.745 1.00 42.20 C ATOM 284 C ILE A 18 9.605 15.094 6.306 1.00 55.33 C ATOM 285 O ILE A 18 9.302 14.275 5.423 1.00 64.40 O ATOM 286 CB ILE A 18 11.487 14.865 8.106 1.00 33.35 C ATOM 287 CG1 ILE A 18 11.823 14.229 9.501 1.00 52.33 C ATOM 288 CG2 ILE A 18 11.856 16.380 8.099 1.00 70.23 C ATOM 289 CD1 ILE A 18 13.284 14.325 9.931 1.00 42.33 C ATOM 0 H ILE A 18 10.385 12.555 7.444 1.00 75.20 H new ATOM 0 HA ILE A 18 9.355 15.159 8.460 1.00 42.20 H new ATOM 0 HB ILE A 18 12.088 14.393 7.329 1.00 33.35 H new ATOM 0 HG12 ILE A 18 11.207 14.712 10.259 1.00 52.33 H new ATOM 0 HG13 ILE A 18 11.537 13.177 9.480 1.00 52.33 H new ATOM 0 HG21 ILE A 18 12.910 16.499 8.352 1.00 70.23 H new ATOM 0 HG22 ILE A 18 11.672 16.795 7.108 1.00 70.23 H new ATOM 0 HG23 ILE A 18 11.245 16.907 8.832 1.00 70.23 H new ATOM 0 HD11 ILE A 18 13.408 13.856 10.907 1.00 42.33 H new ATOM 0 HD12 ILE A 18 13.912 13.815 9.201 1.00 42.33 H new ATOM 0 HD13 ILE A 18 13.577 15.373 9.992 1.00 42.33 H new ATOM 301 N THR A 19 9.575 16.425 6.086 1.00 11.34 N ATOM 302 CA THR A 19 9.418 17.022 4.740 1.00 21.13 C ATOM 303 C THR A 19 10.464 16.458 3.733 1.00 12.45 C ATOM 304 O THR A 19 11.672 16.490 4.000 1.00 41.22 O ATOM 305 CB THR A 19 9.531 18.588 4.794 1.00 24.12 C ATOM 306 OG1 THR A 19 10.789 18.975 5.378 1.00 2.10 O ATOM 307 CG2 THR A 19 8.387 19.230 5.604 1.00 4.13 C ATOM 0 H THR A 19 9.658 17.115 6.832 1.00 11.34 H new ATOM 0 HA THR A 19 8.421 16.750 4.392 1.00 21.13 H new ATOM 0 HB THR A 19 9.463 18.945 3.766 1.00 24.12 H new ATOM 0 HG1 THR A 19 11.458 18.280 5.205 1.00 2.10 H new ATOM 0 HG21 THR A 19 8.510 20.313 5.612 1.00 4.13 H new ATOM 0 HG22 THR A 19 7.431 18.977 5.147 1.00 4.13 H new ATOM 0 HG23 THR A 19 8.411 18.855 6.627 1.00 4.13 H new ATOM 315 N SER A 20 9.956 15.912 2.605 1.00 2.23 N ATOM 316 CA SER A 20 10.768 15.328 1.499 1.00 2.33 C ATOM 317 C SER A 20 11.500 14.007 1.897 1.00 52.04 C ATOM 318 O SER A 20 12.411 13.563 1.197 1.00 11.51 O ATOM 319 CB SER A 20 11.754 16.386 0.913 1.00 30.30 C ATOM 320 OG SER A 20 12.445 15.906 -0.231 1.00 22.55 O ATOM 0 H SER A 20 8.953 15.861 2.429 1.00 2.23 H new ATOM 0 HA SER A 20 10.066 15.045 0.715 1.00 2.33 H new ATOM 0 HB2 SER A 20 11.201 17.287 0.648 1.00 30.30 H new ATOM 0 HB3 SER A 20 12.477 16.669 1.679 1.00 30.30 H new ATOM 0 HG SER A 20 12.642 14.953 -0.118 1.00 22.55 H new ATOM 326 N GLU A 21 11.051 13.350 2.988 1.00 24.32 N ATOM 327 CA GLU A 21 11.656 12.074 3.482 1.00 32.53 C ATOM 328 C GLU A 21 10.922 10.855 2.835 1.00 0.42 C ATOM 329 O GLU A 21 9.750 10.956 2.472 1.00 21.51 O ATOM 330 CB GLU A 21 11.587 12.055 5.051 1.00 52.35 C ATOM 331 CG GLU A 21 12.633 11.180 5.798 1.00 4.33 C ATOM 332 CD GLU A 21 12.334 9.669 5.785 1.00 12.23 C ATOM 333 OE1 GLU A 21 11.355 9.248 6.435 1.00 53.33 O ATOM 334 OE2 GLU A 21 13.085 8.895 5.144 1.00 74.33 O ATOM 0 H GLU A 21 10.267 13.677 3.553 1.00 24.32 H new ATOM 0 HA GLU A 21 12.704 12.004 3.191 1.00 32.53 H new ATOM 0 HB2 GLU A 21 11.689 13.080 5.406 1.00 52.35 H new ATOM 0 HB3 GLU A 21 10.593 11.715 5.341 1.00 52.35 H new ATOM 0 HG2 GLU A 21 13.613 11.347 5.350 1.00 4.33 H new ATOM 0 HG3 GLU A 21 12.695 11.516 6.833 1.00 4.33 H new ATOM 341 N CYS A 22 11.629 9.711 2.692 1.00 35.41 N ATOM 342 CA CYS A 22 11.103 8.493 2.009 1.00 53.11 C ATOM 343 C CYS A 22 9.993 7.780 2.827 1.00 63.23 C ATOM 344 O CYS A 22 10.152 7.537 4.021 1.00 15.21 O ATOM 345 CB CYS A 22 12.256 7.495 1.730 1.00 31.12 C ATOM 346 SG CYS A 22 13.597 8.167 0.718 1.00 62.42 S ATOM 0 H CYS A 22 12.580 9.600 3.044 1.00 35.41 H new ATOM 0 HA CYS A 22 10.659 8.827 1.071 1.00 53.11 H new ATOM 0 HB2 CYS A 22 12.668 7.160 2.682 1.00 31.12 H new ATOM 0 HB3 CYS A 22 11.847 6.616 1.232 1.00 31.12 H new ATOM 0 HG CYS A 22 13.140 9.134 -0.021 1.00 62.42 H new ATOM 352 N VAL A 23 8.868 7.459 2.154 1.00 40.43 N ATOM 353 CA VAL A 23 7.748 6.661 2.714 1.00 62.33 C ATOM 354 C VAL A 23 7.401 5.495 1.750 1.00 25.03 C ATOM 355 O VAL A 23 6.973 5.732 0.622 1.00 21.22 O ATOM 356 CB VAL A 23 6.464 7.560 2.950 1.00 13.52 C ATOM 357 CG1 VAL A 23 5.215 6.720 3.326 1.00 2.14 C ATOM 358 CG2 VAL A 23 6.738 8.648 4.019 1.00 65.34 C ATOM 0 H VAL A 23 8.706 7.750 1.190 1.00 40.43 H new ATOM 0 HA VAL A 23 8.065 6.260 3.677 1.00 62.33 H new ATOM 0 HB VAL A 23 6.244 8.052 2.002 1.00 13.52 H new ATOM 0 HG11 VAL A 23 4.363 7.383 3.477 1.00 2.14 H new ATOM 0 HG12 VAL A 23 4.992 6.020 2.521 1.00 2.14 H new ATOM 0 HG13 VAL A 23 5.412 6.167 4.244 1.00 2.14 H new ATOM 0 HG21 VAL A 23 5.842 9.251 4.162 1.00 65.34 H new ATOM 0 HG22 VAL A 23 7.010 8.172 4.961 1.00 65.34 H new ATOM 0 HG23 VAL A 23 7.556 9.287 3.686 1.00 65.34 H new ATOM 368 N MET A 24 7.602 4.236 2.188 1.00 5.22 N ATOM 369 CA MET A 24 7.223 3.048 1.386 1.00 43.14 C ATOM 370 C MET A 24 5.976 2.354 1.996 1.00 11.14 C ATOM 371 O MET A 24 6.075 1.632 2.993 1.00 4.02 O ATOM 372 CB MET A 24 8.411 2.047 1.262 1.00 61.31 C ATOM 373 CG MET A 24 8.122 0.840 0.353 1.00 12.11 C ATOM 374 SD MET A 24 9.535 -0.276 0.184 1.00 10.44 S ATOM 375 CE MET A 24 8.901 -1.488 -0.983 1.00 61.14 C ATOM 0 H MET A 24 8.023 4.013 3.090 1.00 5.22 H new ATOM 0 HA MET A 24 6.971 3.387 0.381 1.00 43.14 H new ATOM 0 HB2 MET A 24 9.281 2.578 0.877 1.00 61.31 H new ATOM 0 HB3 MET A 24 8.673 1.685 2.256 1.00 61.31 H new ATOM 0 HG2 MET A 24 7.274 0.285 0.755 1.00 12.11 H new ATOM 0 HG3 MET A 24 7.829 1.198 -0.634 1.00 12.11 H new ATOM 0 HE1 MET A 24 9.667 -2.238 -1.180 1.00 61.14 H new ATOM 0 HE2 MET A 24 8.019 -1.971 -0.563 1.00 61.14 H new ATOM 0 HE3 MET A 24 8.632 -0.990 -1.915 1.00 61.14 H new ATOM 385 N LEU A 25 4.801 2.614 1.404 1.00 53.33 N ATOM 386 CA LEU A 25 3.533 1.941 1.767 1.00 61.54 C ATOM 387 C LEU A 25 3.476 0.533 1.124 1.00 12.50 C ATOM 388 O LEU A 25 4.099 0.293 0.086 1.00 30.32 O ATOM 389 CB LEU A 25 2.343 2.805 1.295 1.00 33.42 C ATOM 390 CG LEU A 25 2.323 4.272 1.818 1.00 34.50 C ATOM 391 CD1 LEU A 25 1.168 5.068 1.187 1.00 41.42 C ATOM 392 CD2 LEU A 25 2.260 4.321 3.361 1.00 22.33 C ATOM 0 H LEU A 25 4.697 3.299 0.656 1.00 53.33 H new ATOM 0 HA LEU A 25 3.478 1.823 2.849 1.00 61.54 H new ATOM 0 HB2 LEU A 25 2.344 2.827 0.205 1.00 33.42 H new ATOM 0 HB3 LEU A 25 1.419 2.316 1.603 1.00 33.42 H new ATOM 0 HG LEU A 25 3.258 4.743 1.515 1.00 34.50 H new ATOM 0 HD11 LEU A 25 1.178 6.089 1.570 1.00 41.42 H new ATOM 0 HD12 LEU A 25 1.287 5.086 0.104 1.00 41.42 H new ATOM 0 HD13 LEU A 25 0.219 4.595 1.440 1.00 41.42 H new ATOM 0 HD21 LEU A 25 2.247 5.360 3.692 1.00 22.33 H new ATOM 0 HD22 LEU A 25 1.355 3.820 3.704 1.00 22.33 H new ATOM 0 HD23 LEU A 25 3.133 3.818 3.777 1.00 22.33 H new ATOM 404 N ALA A 26 2.719 -0.389 1.736 1.00 51.34 N ATOM 405 CA ALA A 26 2.664 -1.802 1.298 1.00 73.12 C ATOM 406 C ALA A 26 1.280 -2.418 1.563 1.00 2.03 C ATOM 407 O ALA A 26 0.765 -2.309 2.674 1.00 13.15 O ATOM 408 CB ALA A 26 3.751 -2.608 2.030 1.00 4.13 C ATOM 0 H ALA A 26 2.130 -0.184 2.543 1.00 51.34 H new ATOM 0 HA ALA A 26 2.842 -1.836 0.223 1.00 73.12 H new ATOM 0 HB1 ALA A 26 3.711 -3.649 1.708 1.00 4.13 H new ATOM 0 HB2 ALA A 26 4.731 -2.193 1.796 1.00 4.13 H new ATOM 0 HB3 ALA A 26 3.582 -2.554 3.105 1.00 4.13 H new ATOM 414 N CYS A 27 0.690 -3.062 0.533 1.00 23.30 N ATOM 415 CA CYS A 27 -0.578 -3.814 0.666 1.00 61.14 C ATOM 416 C CYS A 27 -0.667 -4.955 -0.377 1.00 53.32 C ATOM 417 O CYS A 27 -0.768 -4.710 -1.578 1.00 50.43 O ATOM 418 CB CYS A 27 -1.794 -2.874 0.516 1.00 70.43 C ATOM 419 SG CYS A 27 -3.382 -3.701 0.737 1.00 34.45 S ATOM 0 H CYS A 27 1.077 -3.076 -0.411 1.00 23.30 H new ATOM 0 HA CYS A 27 -0.592 -4.254 1.663 1.00 61.14 H new ATOM 0 HB2 CYS A 27 -1.710 -2.067 1.244 1.00 70.43 H new ATOM 0 HB3 CYS A 27 -1.768 -2.415 -0.472 1.00 70.43 H new ATOM 0 HG CYS A 27 -3.723 -3.658 1.991 1.00 34.45 H new ATOM 425 N GLU A 28 -0.642 -6.212 0.102 1.00 72.02 N ATOM 426 CA GLU A 28 -0.753 -7.423 -0.736 1.00 44.31 C ATOM 427 C GLU A 28 -1.963 -8.276 -0.310 1.00 41.22 C ATOM 428 O GLU A 28 -2.371 -8.279 0.857 1.00 15.22 O ATOM 429 CB GLU A 28 0.556 -8.245 -0.633 1.00 11.54 C ATOM 430 CG GLU A 28 1.822 -7.426 -0.946 1.00 62.41 C ATOM 431 CD GLU A 28 3.133 -8.202 -0.760 1.00 10.42 C ATOM 432 OE1 GLU A 28 3.258 -8.956 0.227 1.00 14.11 O ATOM 433 OE2 GLU A 28 4.070 -8.017 -1.560 1.00 21.44 O ATOM 0 H GLU A 28 -0.543 -6.419 1.096 1.00 72.02 H new ATOM 0 HA GLU A 28 -0.906 -7.122 -1.772 1.00 44.31 H new ATOM 0 HB2 GLU A 28 0.639 -8.657 0.373 1.00 11.54 H new ATOM 0 HB3 GLU A 28 0.500 -9.090 -1.320 1.00 11.54 H new ATOM 0 HG2 GLU A 28 1.766 -7.070 -1.975 1.00 62.41 H new ATOM 0 HG3 GLU A 28 1.840 -6.545 -0.304 1.00 62.41 H new ATOM 440 N VAL A 29 -2.517 -9.012 -1.277 1.00 72.54 N ATOM 441 CA VAL A 29 -3.733 -9.830 -1.099 1.00 3.14 C ATOM 442 C VAL A 29 -3.432 -11.344 -1.134 1.00 42.40 C ATOM 443 O VAL A 29 -2.348 -11.781 -1.537 1.00 13.42 O ATOM 444 CB VAL A 29 -4.793 -9.472 -2.204 1.00 10.33 C ATOM 445 CG1 VAL A 29 -5.458 -8.110 -1.914 1.00 51.32 C ATOM 446 CG2 VAL A 29 -4.148 -9.489 -3.617 1.00 32.25 C ATOM 0 H VAL A 29 -2.133 -9.061 -2.221 1.00 72.54 H new ATOM 0 HA VAL A 29 -4.135 -9.598 -0.113 1.00 3.14 H new ATOM 0 HB VAL A 29 -5.572 -10.234 -2.181 1.00 10.33 H new ATOM 0 HG11 VAL A 29 -6.186 -7.887 -2.694 1.00 51.32 H new ATOM 0 HG12 VAL A 29 -5.961 -8.149 -0.948 1.00 51.32 H new ATOM 0 HG13 VAL A 29 -4.697 -7.330 -1.895 1.00 51.32 H new ATOM 0 HG21 VAL A 29 -4.901 -9.238 -4.364 1.00 32.25 H new ATOM 0 HG22 VAL A 29 -3.340 -8.758 -3.657 1.00 32.25 H new ATOM 0 HG23 VAL A 29 -3.749 -10.482 -3.823 1.00 32.25 H new ATOM 456 N ASP A 30 -4.425 -12.129 -0.693 1.00 21.12 N ATOM 457 CA ASP A 30 -4.364 -13.602 -0.679 1.00 63.35 C ATOM 458 C ASP A 30 -4.607 -14.194 -2.093 1.00 63.52 C ATOM 459 O ASP A 30 -4.093 -15.267 -2.429 1.00 62.24 O ATOM 460 CB ASP A 30 -5.400 -14.133 0.344 1.00 41.33 C ATOM 461 CG ASP A 30 -5.380 -15.663 0.492 1.00 10.15 C ATOM 462 OD1 ASP A 30 -4.355 -16.212 0.950 1.00 23.31 O ATOM 463 OD2 ASP A 30 -6.383 -16.325 0.157 1.00 12.25 O ATOM 0 H ASP A 30 -5.304 -11.758 -0.332 1.00 21.12 H new ATOM 0 HA ASP A 30 -3.365 -13.919 -0.379 1.00 63.35 H new ATOM 0 HB2 ASP A 30 -5.207 -13.678 1.316 1.00 41.33 H new ATOM 0 HB3 ASP A 30 -6.397 -13.818 0.037 1.00 41.33 H new ATOM 468 N ARG A 31 -5.378 -13.467 -2.921 1.00 24.11 N ATOM 469 CA ARG A 31 -5.710 -13.882 -4.303 1.00 30.14 C ATOM 470 C ARG A 31 -5.051 -12.916 -5.318 1.00 3.31 C ATOM 471 O ARG A 31 -5.468 -11.763 -5.445 1.00 21.12 O ATOM 472 CB ARG A 31 -7.253 -13.922 -4.491 1.00 70.41 C ATOM 473 CG ARG A 31 -7.739 -14.441 -5.866 1.00 23.31 C ATOM 474 CD ARG A 31 -7.303 -15.894 -6.163 1.00 41.21 C ATOM 475 NE ARG A 31 -7.774 -16.855 -5.142 1.00 61.33 N ATOM 476 CZ ARG A 31 -7.890 -18.159 -5.311 1.00 75.34 C ATOM 477 NH1 ARG A 31 -7.678 -18.712 -6.462 1.00 4.40 N ATOM 478 NH2 ARG A 31 -8.231 -18.905 -4.315 1.00 33.24 N ATOM 0 H ARG A 31 -5.791 -12.573 -2.654 1.00 24.11 H new ATOM 0 HA ARG A 31 -5.319 -14.884 -4.482 1.00 30.14 H new ATOM 0 HB2 ARG A 31 -7.681 -14.552 -3.711 1.00 70.41 H new ATOM 0 HB3 ARG A 31 -7.647 -12.917 -4.341 1.00 70.41 H new ATOM 0 HG2 ARG A 31 -8.827 -14.381 -5.905 1.00 23.31 H new ATOM 0 HG3 ARG A 31 -7.355 -13.787 -6.649 1.00 23.31 H new ATOM 0 HD2 ARG A 31 -7.687 -16.191 -7.139 1.00 41.21 H new ATOM 0 HD3 ARG A 31 -6.215 -15.937 -6.221 1.00 41.21 H new ATOM 0 HE ARG A 31 -8.031 -16.478 -4.230 1.00 61.33 H new ATOM 0 HH11 ARG A 31 -7.415 -18.138 -7.263 1.00 4.40 H new ATOM 0 HH12 ARG A 31 -7.774 -19.722 -6.568 1.00 4.40 H new ATOM 0 HH21 ARG A 31 -8.410 -18.487 -3.402 1.00 33.24 H new ATOM 0 HH22 ARG A 31 -8.322 -19.913 -4.441 1.00 33.24 H new ATOM 492 N GLU A 32 -4.016 -13.411 -6.025 1.00 63.24 N ATOM 493 CA GLU A 32 -3.243 -12.633 -7.042 1.00 61.13 C ATOM 494 C GLU A 32 -4.127 -12.135 -8.214 1.00 52.32 C ATOM 495 O GLU A 32 -3.836 -11.108 -8.834 1.00 25.32 O ATOM 496 CB GLU A 32 -2.051 -13.478 -7.597 1.00 13.31 C ATOM 497 CG GLU A 32 -2.408 -14.686 -8.502 1.00 32.01 C ATOM 498 CD GLU A 32 -3.238 -15.768 -7.794 1.00 32.54 C ATOM 499 OE1 GLU A 32 -2.665 -16.537 -6.996 1.00 53.02 O ATOM 500 OE2 GLU A 32 -4.471 -15.823 -7.993 1.00 52.21 O ATOM 0 H GLU A 32 -3.682 -14.368 -5.913 1.00 63.24 H new ATOM 0 HA GLU A 32 -2.857 -11.752 -6.529 1.00 61.13 H new ATOM 0 HB2 GLU A 32 -1.398 -12.813 -8.161 1.00 13.31 H new ATOM 0 HB3 GLU A 32 -1.474 -13.848 -6.750 1.00 13.31 H new ATOM 0 HG2 GLU A 32 -2.961 -14.327 -9.370 1.00 32.01 H new ATOM 0 HG3 GLU A 32 -1.487 -15.134 -8.874 1.00 32.01 H new ATOM 507 N ASP A 33 -5.198 -12.896 -8.500 1.00 32.12 N ATOM 508 CA ASP A 33 -6.173 -12.585 -9.564 1.00 61.10 C ATOM 509 C ASP A 33 -7.019 -11.314 -9.237 1.00 73.11 C ATOM 510 O ASP A 33 -7.599 -10.697 -10.137 1.00 61.11 O ATOM 511 CB ASP A 33 -7.076 -13.828 -9.784 1.00 32.30 C ATOM 512 CG ASP A 33 -8.021 -13.696 -10.990 1.00 74.24 C ATOM 513 OD1 ASP A 33 -7.529 -13.710 -12.140 1.00 32.11 O ATOM 514 OD2 ASP A 33 -9.255 -13.572 -10.801 1.00 21.33 O ATOM 0 H ASP A 33 -5.415 -13.755 -7.994 1.00 32.12 H new ATOM 0 HA ASP A 33 -5.633 -12.355 -10.483 1.00 61.10 H new ATOM 0 HB2 ASP A 33 -6.445 -14.706 -9.922 1.00 32.30 H new ATOM 0 HB3 ASP A 33 -7.669 -14.000 -8.886 1.00 32.30 H new ATOM 519 N ALA A 34 -7.075 -10.921 -7.947 1.00 34.12 N ATOM 520 CA ALA A 34 -7.797 -9.702 -7.494 1.00 12.12 C ATOM 521 C ALA A 34 -6.864 -8.766 -6.669 1.00 42.33 C ATOM 522 O ALA A 34 -6.861 -8.821 -5.432 1.00 54.44 O ATOM 523 CB ALA A 34 -9.056 -10.099 -6.699 1.00 42.52 C ATOM 0 H ALA A 34 -6.625 -11.434 -7.189 1.00 34.12 H new ATOM 0 HA ALA A 34 -8.113 -9.138 -8.371 1.00 12.12 H new ATOM 0 HB1 ALA A 34 -9.578 -9.200 -6.371 1.00 42.52 H new ATOM 0 HB2 ALA A 34 -9.716 -10.691 -7.334 1.00 42.52 H new ATOM 0 HB3 ALA A 34 -8.766 -10.688 -5.829 1.00 42.52 H new ATOM 529 N PRO A 35 -6.025 -7.906 -7.352 1.00 70.23 N ATOM 530 CA PRO A 35 -5.086 -6.960 -6.674 1.00 3.44 C ATOM 531 C PRO A 35 -5.790 -5.685 -6.121 1.00 64.44 C ATOM 532 O PRO A 35 -6.994 -5.489 -6.327 1.00 10.25 O ATOM 533 CB PRO A 35 -4.055 -6.613 -7.797 1.00 71.53 C ATOM 534 CG PRO A 35 -4.430 -7.468 -8.984 1.00 23.20 C ATOM 535 CD PRO A 35 -5.897 -7.783 -8.822 1.00 54.10 C ATOM 0 HA PRO A 35 -4.630 -7.402 -5.788 1.00 3.44 H new ATOM 0 HB2 PRO A 35 -4.096 -5.554 -8.051 1.00 71.53 H new ATOM 0 HB3 PRO A 35 -3.037 -6.824 -7.470 1.00 71.53 H new ATOM 0 HG2 PRO A 35 -4.245 -6.940 -9.919 1.00 23.20 H new ATOM 0 HG3 PRO A 35 -3.835 -8.381 -9.011 1.00 23.20 H new ATOM 0 HD2 PRO A 35 -6.531 -6.992 -9.222 1.00 54.10 H new ATOM 0 HD3 PRO A 35 -6.176 -8.704 -9.334 1.00 54.10 H new ATOM 543 N VAL A 36 -5.024 -4.806 -5.426 1.00 34.20 N ATOM 544 CA VAL A 36 -5.603 -3.618 -4.737 1.00 43.04 C ATOM 545 C VAL A 36 -5.566 -2.352 -5.630 1.00 72.33 C ATOM 546 O VAL A 36 -4.796 -2.259 -6.596 1.00 75.43 O ATOM 547 CB VAL A 36 -4.904 -3.329 -3.337 1.00 51.22 C ATOM 548 CG1 VAL A 36 -4.549 -4.643 -2.607 1.00 51.25 C ATOM 549 CG2 VAL A 36 -3.662 -2.407 -3.460 1.00 31.14 C ATOM 0 H VAL A 36 -4.013 -4.894 -5.327 1.00 34.20 H new ATOM 0 HA VAL A 36 -6.647 -3.865 -4.542 1.00 43.04 H new ATOM 0 HB VAL A 36 -5.634 -2.787 -2.736 1.00 51.22 H new ATOM 0 HG11 VAL A 36 -4.073 -4.413 -1.654 1.00 51.25 H new ATOM 0 HG12 VAL A 36 -5.458 -5.217 -2.429 1.00 51.25 H new ATOM 0 HG13 VAL A 36 -3.865 -5.228 -3.222 1.00 51.25 H new ATOM 0 HG21 VAL A 36 -3.229 -2.247 -2.473 1.00 31.14 H new ATOM 0 HG22 VAL A 36 -2.923 -2.877 -4.109 1.00 31.14 H new ATOM 0 HG23 VAL A 36 -3.961 -1.449 -3.885 1.00 31.14 H new ATOM 559 N ARG A 37 -6.424 -1.389 -5.270 1.00 12.00 N ATOM 560 CA ARG A 37 -6.517 -0.056 -5.900 1.00 10.21 C ATOM 561 C ARG A 37 -6.168 1.023 -4.847 1.00 31.52 C ATOM 562 O ARG A 37 -6.790 1.069 -3.783 1.00 2.24 O ATOM 563 CB ARG A 37 -7.961 0.142 -6.441 1.00 62.41 C ATOM 564 CG ARG A 37 -8.335 -0.800 -7.615 1.00 23.02 C ATOM 565 CD ARG A 37 -9.857 -0.926 -7.840 1.00 24.14 C ATOM 566 NE ARG A 37 -10.486 -1.817 -6.848 1.00 13.41 N ATOM 567 CZ ARG A 37 -11.780 -1.977 -6.670 1.00 32.30 C ATOM 568 NH1 ARG A 37 -12.652 -1.243 -7.293 1.00 44.03 N ATOM 569 NH2 ARG A 37 -12.191 -2.880 -5.852 1.00 43.34 N ATOM 0 H ARG A 37 -7.094 -1.514 -4.511 1.00 12.00 H new ATOM 0 HA ARG A 37 -5.816 0.029 -6.731 1.00 10.21 H new ATOM 0 HB2 ARG A 37 -8.667 -0.014 -5.625 1.00 62.41 H new ATOM 0 HB3 ARG A 37 -8.076 1.175 -6.768 1.00 62.41 H new ATOM 0 HG2 ARG A 37 -7.870 -0.431 -8.529 1.00 23.02 H new ATOM 0 HG3 ARG A 37 -7.921 -1.790 -7.423 1.00 23.02 H new ATOM 0 HD2 ARG A 37 -10.316 0.061 -7.784 1.00 24.14 H new ATOM 0 HD3 ARG A 37 -10.046 -1.309 -8.843 1.00 24.14 H new ATOM 0 HE ARG A 37 -9.863 -2.357 -6.247 1.00 13.41 H new ATOM 0 HH11 ARG A 37 -12.340 -0.519 -7.941 1.00 44.03 H new ATOM 0 HH12 ARG A 37 -13.649 -1.390 -7.135 1.00 44.03 H new ATOM 0 HH21 ARG A 37 -11.517 -3.460 -5.352 1.00 43.34 H new ATOM 0 HH22 ARG A 37 -13.191 -3.016 -5.703 1.00 43.34 H new ATOM 583 N TRP A 38 -5.176 1.879 -5.145 1.00 34.11 N ATOM 584 CA TRP A 38 -4.677 2.906 -4.194 1.00 70.44 C ATOM 585 C TRP A 38 -5.500 4.216 -4.289 1.00 34.41 C ATOM 586 O TRP A 38 -5.836 4.668 -5.385 1.00 22.14 O ATOM 587 CB TRP A 38 -3.171 3.193 -4.449 1.00 43.13 C ATOM 588 CG TRP A 38 -2.253 2.064 -4.046 1.00 13.15 C ATOM 589 CD1 TRP A 38 -1.866 0.995 -4.804 1.00 63.31 C ATOM 590 CD2 TRP A 38 -1.617 1.899 -2.769 1.00 52.33 C ATOM 591 NE1 TRP A 38 -1.018 0.189 -4.084 1.00 14.45 N ATOM 592 CE2 TRP A 38 -0.857 0.719 -2.830 1.00 42.35 C ATOM 593 CE3 TRP A 38 -1.622 2.640 -1.580 1.00 30.20 C ATOM 594 CZ2 TRP A 38 -0.107 0.261 -1.751 1.00 61.14 C ATOM 595 CZ3 TRP A 38 -0.879 2.185 -0.510 1.00 73.22 C ATOM 596 CH2 TRP A 38 -0.130 1.002 -0.602 1.00 52.52 C ATOM 0 H TRP A 38 -4.695 1.885 -6.044 1.00 34.11 H new ATOM 0 HA TRP A 38 -4.796 2.511 -3.185 1.00 70.44 H new ATOM 0 HB2 TRP A 38 -3.026 3.404 -5.509 1.00 43.13 H new ATOM 0 HB3 TRP A 38 -2.886 4.092 -3.903 1.00 43.13 H new ATOM 0 HD1 TRP A 38 -2.181 0.811 -5.821 1.00 63.31 H new ATOM 0 HE1 TRP A 38 -0.579 -0.666 -4.427 1.00 14.45 H new ATOM 0 HE3 TRP A 38 -2.197 3.551 -1.502 1.00 30.20 H new ATOM 0 HZ2 TRP A 38 0.473 -0.648 -1.819 1.00 61.14 H new ATOM 0 HZ3 TRP A 38 -0.874 2.748 0.412 1.00 73.22 H new ATOM 0 HH2 TRP A 38 0.440 0.670 0.253 1.00 52.52 H new ATOM 607 N TYR A 39 -5.831 4.798 -3.115 1.00 22.31 N ATOM 608 CA TYR A 39 -6.625 6.049 -2.987 1.00 34.42 C ATOM 609 C TYR A 39 -6.009 6.965 -1.901 1.00 32.21 C ATOM 610 O TYR A 39 -5.730 6.508 -0.799 1.00 32.14 O ATOM 611 CB TYR A 39 -8.106 5.734 -2.625 1.00 40.45 C ATOM 612 CG TYR A 39 -8.847 4.916 -3.691 1.00 62.42 C ATOM 613 CD1 TYR A 39 -9.388 5.532 -4.822 1.00 62.20 C ATOM 614 CD2 TYR A 39 -8.964 3.527 -3.595 1.00 71.11 C ATOM 615 CE1 TYR A 39 -10.021 4.799 -5.803 1.00 13.14 C ATOM 616 CE2 TYR A 39 -9.588 2.793 -4.586 1.00 3.14 C ATOM 617 CZ TYR A 39 -10.112 3.432 -5.684 1.00 73.54 C ATOM 618 OH TYR A 39 -10.716 2.694 -6.683 1.00 32.13 O ATOM 0 H TYR A 39 -5.552 4.409 -2.214 1.00 22.31 H new ATOM 0 HA TYR A 39 -6.603 6.562 -3.949 1.00 34.42 H new ATOM 0 HB2 TYR A 39 -8.131 5.189 -1.681 1.00 40.45 H new ATOM 0 HB3 TYR A 39 -8.638 6.672 -2.466 1.00 40.45 H new ATOM 0 HD1 TYR A 39 -9.309 6.604 -4.930 1.00 62.20 H new ATOM 0 HD2 TYR A 39 -8.560 3.018 -2.732 1.00 71.11 H new ATOM 0 HE1 TYR A 39 -10.444 5.297 -6.663 1.00 13.14 H new ATOM 0 HE2 TYR A 39 -9.664 1.719 -4.498 1.00 3.14 H new ATOM 0 HH TYR A 39 -10.462 3.057 -7.557 1.00 32.13 H new ATOM 628 N LYS A 40 -5.793 8.251 -2.230 1.00 24.42 N ATOM 629 CA LYS A 40 -5.248 9.262 -1.293 1.00 4.23 C ATOM 630 C LYS A 40 -6.325 10.319 -0.933 1.00 73.25 C ATOM 631 O LYS A 40 -6.646 11.196 -1.751 1.00 34.31 O ATOM 632 CB LYS A 40 -3.999 9.936 -1.925 1.00 20.14 C ATOM 633 CG LYS A 40 -3.406 11.123 -1.128 1.00 34.13 C ATOM 634 CD LYS A 40 -2.103 11.674 -1.764 1.00 31.40 C ATOM 635 CE LYS A 40 -1.645 13.010 -1.157 1.00 72.43 C ATOM 636 NZ LYS A 40 -1.463 12.936 0.314 1.00 65.23 N ATOM 0 H LYS A 40 -5.991 8.625 -3.158 1.00 24.42 H new ATOM 0 HA LYS A 40 -4.952 8.766 -0.369 1.00 4.23 H new ATOM 0 HB2 LYS A 40 -3.223 9.180 -2.048 1.00 20.14 H new ATOM 0 HB3 LYS A 40 -4.263 10.287 -2.923 1.00 20.14 H new ATOM 0 HG2 LYS A 40 -4.145 11.923 -1.070 1.00 34.13 H new ATOM 0 HG3 LYS A 40 -3.201 10.804 -0.106 1.00 34.13 H new ATOM 0 HD2 LYS A 40 -1.309 10.937 -1.643 1.00 31.40 H new ATOM 0 HD3 LYS A 40 -2.257 11.804 -2.835 1.00 31.40 H new ATOM 0 HE2 LYS A 40 -0.706 13.313 -1.621 1.00 72.43 H new ATOM 0 HE3 LYS A 40 -2.379 13.781 -1.390 1.00 72.43 H new ATOM 0 HZ1 LYS A 40 -0.921 13.762 0.639 1.00 65.23 H new ATOM 0 HZ2 LYS A 40 -2.393 12.928 0.779 1.00 65.23 H new ATOM 0 HZ3 LYS A 40 -0.947 12.066 0.557 1.00 65.23 H new ATOM 650 N ASP A 41 -6.904 10.172 0.280 1.00 14.25 N ATOM 651 CA ASP A 41 -7.828 11.154 0.918 1.00 73.25 C ATOM 652 C ASP A 41 -9.074 11.507 0.031 1.00 11.34 C ATOM 653 O ASP A 41 -9.710 12.553 0.208 1.00 24.24 O ATOM 654 CB ASP A 41 -7.006 12.416 1.332 1.00 42.32 C ATOM 655 CG ASP A 41 -7.702 13.305 2.378 1.00 22.32 C ATOM 656 OD1 ASP A 41 -7.770 12.895 3.557 1.00 43.40 O ATOM 657 OD2 ASP A 41 -8.173 14.418 2.041 1.00 21.23 O ATOM 0 H ASP A 41 -6.742 9.350 0.861 1.00 14.25 H new ATOM 0 HA ASP A 41 -8.259 10.696 1.808 1.00 73.25 H new ATOM 0 HB2 ASP A 41 -6.042 12.095 1.727 1.00 42.32 H new ATOM 0 HB3 ASP A 41 -6.803 13.012 0.442 1.00 42.32 H new ATOM 662 N GLY A 42 -9.442 10.593 -0.888 1.00 34.21 N ATOM 663 CA GLY A 42 -10.580 10.793 -1.807 1.00 22.21 C ATOM 664 C GLY A 42 -10.220 10.551 -3.273 1.00 24.23 C ATOM 665 O GLY A 42 -11.016 9.973 -4.024 1.00 34.54 O ATOM 0 H GLY A 42 -8.963 9.701 -1.014 1.00 34.21 H new ATOM 0 HA2 GLY A 42 -11.390 10.122 -1.523 1.00 22.21 H new ATOM 0 HA3 GLY A 42 -10.955 11.810 -1.695 1.00 22.21 H new ATOM 669 N GLN A 43 -9.006 10.981 -3.673 1.00 72.44 N ATOM 670 CA GLN A 43 -8.499 10.825 -5.065 1.00 14.43 C ATOM 671 C GLN A 43 -7.944 9.397 -5.281 1.00 55.22 C ATOM 672 O GLN A 43 -7.629 8.709 -4.318 1.00 2.44 O ATOM 673 CB GLN A 43 -7.372 11.862 -5.387 1.00 23.25 C ATOM 674 CG GLN A 43 -7.732 13.358 -5.184 1.00 20.30 C ATOM 675 CD GLN A 43 -7.654 13.820 -3.723 1.00 24.02 C ATOM 676 OE1 GLN A 43 -8.748 13.730 -2.995 1.00 75.34 O flip ATOM 677 NE2 GLN A 43 -6.608 14.257 -3.255 1.00 52.23 N flip ATOM 0 H GLN A 43 -8.347 11.445 -3.048 1.00 72.44 H new ATOM 0 HA GLN A 43 -9.340 11.002 -5.736 1.00 14.43 H new ATOM 0 HB2 GLN A 43 -6.507 11.631 -4.765 1.00 23.25 H new ATOM 0 HB3 GLN A 43 -7.065 11.722 -6.423 1.00 23.25 H new ATOM 0 HG2 GLN A 43 -7.059 13.969 -5.785 1.00 20.30 H new ATOM 0 HG3 GLN A 43 -8.741 13.533 -5.558 1.00 20.30 H new ATOM 0 HE21 GLN A 43 -5.774 14.317 -3.839 1.00 52.23 H new ATOM 0 HE22 GLN A 43 -6.572 14.560 -2.282 1.00 52.23 H new ATOM 686 N GLU A 44 -7.833 8.958 -6.551 1.00 51.03 N ATOM 687 CA GLU A 44 -7.193 7.666 -6.898 1.00 11.00 C ATOM 688 C GLU A 44 -5.706 7.890 -7.258 1.00 71.24 C ATOM 689 O GLU A 44 -5.389 8.724 -8.117 1.00 3.20 O ATOM 690 CB GLU A 44 -7.954 6.981 -8.065 1.00 33.31 C ATOM 691 CG GLU A 44 -7.491 5.543 -8.380 1.00 73.50 C ATOM 692 CD GLU A 44 -8.379 4.844 -9.422 1.00 4.32 C ATOM 693 OE1 GLU A 44 -9.480 4.376 -9.059 1.00 45.21 O ATOM 694 OE2 GLU A 44 -7.993 4.774 -10.609 1.00 11.44 O ATOM 0 H GLU A 44 -8.178 9.478 -7.357 1.00 51.03 H new ATOM 0 HA GLU A 44 -7.239 7.004 -6.033 1.00 11.00 H new ATOM 0 HB2 GLU A 44 -9.017 6.962 -7.826 1.00 33.31 H new ATOM 0 HB3 GLU A 44 -7.840 7.590 -8.962 1.00 33.31 H new ATOM 0 HG2 GLU A 44 -6.464 5.569 -8.744 1.00 73.50 H new ATOM 0 HG3 GLU A 44 -7.489 4.958 -7.461 1.00 73.50 H new ATOM 701 N VAL A 45 -4.806 7.145 -6.593 1.00 21.44 N ATOM 702 CA VAL A 45 -3.345 7.299 -6.767 1.00 31.42 C ATOM 703 C VAL A 45 -2.851 6.614 -8.068 1.00 15.45 C ATOM 704 O VAL A 45 -2.997 5.400 -8.234 1.00 13.42 O ATOM 705 CB VAL A 45 -2.548 6.710 -5.544 1.00 72.52 C ATOM 706 CG1 VAL A 45 -1.022 6.910 -5.710 1.00 75.13 C ATOM 707 CG2 VAL A 45 -3.041 7.300 -4.203 1.00 51.12 C ATOM 0 H VAL A 45 -5.066 6.422 -5.922 1.00 21.44 H new ATOM 0 HA VAL A 45 -3.155 8.370 -6.832 1.00 31.42 H new ATOM 0 HB VAL A 45 -2.743 5.638 -5.524 1.00 72.52 H new ATOM 0 HG11 VAL A 45 -0.504 6.491 -4.847 1.00 75.13 H new ATOM 0 HG12 VAL A 45 -0.685 6.405 -6.615 1.00 75.13 H new ATOM 0 HG13 VAL A 45 -0.801 7.975 -5.784 1.00 75.13 H new ATOM 0 HG21 VAL A 45 -2.467 6.869 -3.383 1.00 51.12 H new ATOM 0 HG22 VAL A 45 -2.907 8.382 -4.210 1.00 51.12 H new ATOM 0 HG23 VAL A 45 -4.097 7.066 -4.069 1.00 51.12 H new ATOM 717 N GLU A 46 -2.276 7.413 -8.979 1.00 5.05 N ATOM 718 CA GLU A 46 -1.614 6.912 -10.207 1.00 72.20 C ATOM 719 C GLU A 46 -0.111 7.277 -10.199 1.00 10.14 C ATOM 720 O GLU A 46 0.340 8.106 -9.390 1.00 23.21 O ATOM 721 CB GLU A 46 -2.322 7.490 -11.459 1.00 75.21 C ATOM 722 CG GLU A 46 -2.298 9.028 -11.558 1.00 3.21 C ATOM 723 CD GLU A 46 -3.054 9.555 -12.784 1.00 42.35 C ATOM 724 OE1 GLU A 46 -2.446 9.663 -13.874 1.00 33.11 O ATOM 725 OE2 GLU A 46 -4.265 9.843 -12.674 1.00 52.34 O ATOM 0 H GLU A 46 -2.253 8.429 -8.891 1.00 5.05 H new ATOM 0 HA GLU A 46 -1.693 5.825 -10.237 1.00 72.20 H new ATOM 0 HB2 GLU A 46 -1.852 7.074 -12.350 1.00 75.21 H new ATOM 0 HB3 GLU A 46 -3.359 7.155 -11.460 1.00 75.21 H new ATOM 0 HG2 GLU A 46 -2.737 9.453 -10.655 1.00 3.21 H new ATOM 0 HG3 GLU A 46 -1.264 9.369 -11.600 1.00 3.21 H new ATOM 732 N GLU A 47 0.659 6.653 -11.104 1.00 4.35 N ATOM 733 CA GLU A 47 2.114 6.890 -11.223 1.00 34.55 C ATOM 734 C GLU A 47 2.388 8.190 -12.009 1.00 21.31 C ATOM 735 O GLU A 47 2.334 8.206 -13.245 1.00 30.44 O ATOM 736 CB GLU A 47 2.801 5.680 -11.897 1.00 0.14 C ATOM 737 CG GLU A 47 2.541 4.348 -11.180 1.00 12.41 C ATOM 738 CD GLU A 47 3.239 3.160 -11.849 1.00 35.21 C ATOM 739 OE1 GLU A 47 2.681 2.593 -12.812 1.00 33.25 O ATOM 740 OE2 GLU A 47 4.356 2.805 -11.427 1.00 3.45 O ATOM 0 H GLU A 47 0.297 5.973 -11.772 1.00 4.35 H new ATOM 0 HA GLU A 47 2.532 7.006 -10.223 1.00 34.55 H new ATOM 0 HB2 GLU A 47 2.453 5.603 -12.927 1.00 0.14 H new ATOM 0 HB3 GLU A 47 3.876 5.858 -11.936 1.00 0.14 H new ATOM 0 HG2 GLU A 47 2.880 4.426 -10.147 1.00 12.41 H new ATOM 0 HG3 GLU A 47 1.467 4.162 -11.150 1.00 12.41 H new ATOM 747 N SER A 48 2.648 9.280 -11.266 1.00 5.34 N ATOM 748 CA SER A 48 2.861 10.636 -11.834 1.00 44.24 C ATOM 749 C SER A 48 3.745 11.490 -10.902 1.00 12.31 C ATOM 750 O SER A 48 3.776 11.252 -9.690 1.00 22.42 O ATOM 751 CB SER A 48 1.504 11.363 -12.062 1.00 21.13 C ATOM 752 OG SER A 48 0.695 10.664 -12.995 1.00 1.41 O ATOM 0 H SER A 48 2.718 9.252 -10.249 1.00 5.34 H new ATOM 0 HA SER A 48 3.366 10.513 -12.792 1.00 44.24 H new ATOM 0 HB2 SER A 48 0.974 11.454 -11.114 1.00 21.13 H new ATOM 0 HB3 SER A 48 1.687 12.375 -12.423 1.00 21.13 H new ATOM 0 HG SER A 48 -0.151 11.143 -13.117 1.00 1.41 H new ATOM 758 N ASP A 49 4.438 12.495 -11.492 1.00 24.41 N ATOM 759 CA ASP A 49 5.310 13.469 -10.776 1.00 25.03 C ATOM 760 C ASP A 49 6.558 12.800 -10.132 1.00 53.22 C ATOM 761 O ASP A 49 7.683 12.952 -10.621 1.00 74.32 O ATOM 762 CB ASP A 49 4.505 14.287 -9.723 1.00 43.31 C ATOM 763 CG ASP A 49 3.335 15.052 -10.356 1.00 50.41 C ATOM 764 OD1 ASP A 49 3.570 16.141 -10.913 1.00 24.15 O ATOM 765 OD2 ASP A 49 2.188 14.555 -10.321 1.00 55.12 O ATOM 0 H ASP A 49 4.408 12.657 -12.499 1.00 24.41 H new ATOM 0 HA ASP A 49 5.681 14.161 -11.532 1.00 25.03 H new ATOM 0 HB2 ASP A 49 4.124 13.613 -8.956 1.00 43.31 H new ATOM 0 HB3 ASP A 49 5.171 14.992 -9.226 1.00 43.31 H new ATOM 770 N PHE A 50 6.337 12.090 -9.014 1.00 71.21 N ATOM 771 CA PHE A 50 7.385 11.334 -8.277 1.00 14.25 C ATOM 772 C PHE A 50 6.789 10.070 -7.600 1.00 22.40 C ATOM 773 O PHE A 50 7.528 9.225 -7.088 1.00 41.25 O ATOM 774 CB PHE A 50 8.099 12.263 -7.239 1.00 65.20 C ATOM 775 CG PHE A 50 7.153 13.078 -6.348 1.00 44.13 C ATOM 776 CD1 PHE A 50 6.703 14.342 -6.749 1.00 43.30 C ATOM 777 CD2 PHE A 50 6.704 12.586 -5.124 1.00 22.51 C ATOM 778 CE1 PHE A 50 5.843 15.077 -5.958 1.00 75.32 C ATOM 779 CE2 PHE A 50 5.845 13.327 -4.335 1.00 22.24 C ATOM 780 CZ PHE A 50 5.416 14.570 -4.754 1.00 50.31 C ATOM 0 H PHE A 50 5.415 12.018 -8.583 1.00 71.21 H new ATOM 0 HA PHE A 50 8.134 10.993 -8.992 1.00 14.25 H new ATOM 0 HB2 PHE A 50 8.737 11.650 -6.602 1.00 65.20 H new ATOM 0 HB3 PHE A 50 8.752 12.951 -7.777 1.00 65.20 H new ATOM 0 HD1 PHE A 50 7.034 14.749 -7.693 1.00 43.30 H new ATOM 0 HD2 PHE A 50 7.031 11.613 -4.788 1.00 22.51 H new ATOM 0 HE1 PHE A 50 5.506 16.050 -6.285 1.00 75.32 H new ATOM 0 HE2 PHE A 50 5.508 12.932 -3.388 1.00 22.24 H new ATOM 0 HZ PHE A 50 4.744 15.145 -4.135 1.00 50.31 H new ATOM 790 N VAL A 51 5.446 9.950 -7.625 1.00 74.10 N ATOM 791 CA VAL A 51 4.713 8.801 -7.051 1.00 34.41 C ATOM 792 C VAL A 51 4.824 7.568 -7.986 1.00 13.14 C ATOM 793 O VAL A 51 4.513 7.672 -9.175 1.00 15.12 O ATOM 794 CB VAL A 51 3.186 9.145 -6.842 1.00 2.53 C ATOM 795 CG1 VAL A 51 2.455 8.009 -6.079 1.00 63.01 C ATOM 796 CG2 VAL A 51 3.008 10.516 -6.135 1.00 34.21 C ATOM 0 H VAL A 51 4.836 10.651 -8.046 1.00 74.10 H new ATOM 0 HA VAL A 51 5.163 8.576 -6.084 1.00 34.41 H new ATOM 0 HB VAL A 51 2.725 9.226 -7.827 1.00 2.53 H new ATOM 0 HG11 VAL A 51 1.406 8.274 -5.950 1.00 63.01 H new ATOM 0 HG12 VAL A 51 2.528 7.083 -6.649 1.00 63.01 H new ATOM 0 HG13 VAL A 51 2.917 7.871 -5.102 1.00 63.01 H new ATOM 0 HG21 VAL A 51 1.946 10.724 -6.006 1.00 34.21 H new ATOM 0 HG22 VAL A 51 3.493 10.488 -5.159 1.00 34.21 H new ATOM 0 HG23 VAL A 51 3.460 11.300 -6.743 1.00 34.21 H new ATOM 806 N VAL A 52 5.276 6.411 -7.450 1.00 65.04 N ATOM 807 CA VAL A 52 5.377 5.142 -8.225 1.00 61.21 C ATOM 808 C VAL A 52 4.634 3.989 -7.508 1.00 22.41 C ATOM 809 O VAL A 52 4.539 3.958 -6.272 1.00 74.41 O ATOM 810 CB VAL A 52 6.878 4.737 -8.510 1.00 62.52 C ATOM 811 CG1 VAL A 52 7.589 5.820 -9.352 1.00 63.51 C ATOM 812 CG2 VAL A 52 7.669 4.449 -7.208 1.00 21.42 C ATOM 0 H VAL A 52 5.579 6.325 -6.480 1.00 65.04 H new ATOM 0 HA VAL A 52 4.896 5.321 -9.186 1.00 61.21 H new ATOM 0 HB VAL A 52 6.853 3.809 -9.081 1.00 62.52 H new ATOM 0 HG11 VAL A 52 8.621 5.519 -9.535 1.00 63.51 H new ATOM 0 HG12 VAL A 52 7.071 5.939 -10.304 1.00 63.51 H new ATOM 0 HG13 VAL A 52 7.578 6.767 -8.812 1.00 63.51 H new ATOM 0 HG21 VAL A 52 8.694 4.175 -7.458 1.00 21.42 H new ATOM 0 HG22 VAL A 52 7.674 5.340 -6.581 1.00 21.42 H new ATOM 0 HG23 VAL A 52 7.196 3.629 -6.669 1.00 21.42 H new ATOM 822 N LEU A 53 4.098 3.048 -8.303 1.00 41.15 N ATOM 823 CA LEU A 53 3.336 1.884 -7.805 1.00 31.43 C ATOM 824 C LEU A 53 4.032 0.579 -8.255 1.00 3.44 C ATOM 825 O LEU A 53 4.111 0.290 -9.454 1.00 23.32 O ATOM 826 CB LEU A 53 1.876 1.930 -8.342 1.00 32.41 C ATOM 827 CG LEU A 53 1.022 3.171 -7.917 1.00 34.45 C ATOM 828 CD1 LEU A 53 -0.346 3.195 -8.635 1.00 72.32 C ATOM 829 CD2 LEU A 53 0.849 3.225 -6.383 1.00 72.31 C ATOM 0 H LEU A 53 4.181 3.072 -9.319 1.00 41.15 H new ATOM 0 HA LEU A 53 3.305 1.914 -6.716 1.00 31.43 H new ATOM 0 HB2 LEU A 53 1.910 1.894 -9.431 1.00 32.41 H new ATOM 0 HB3 LEU A 53 1.360 1.029 -8.010 1.00 32.41 H new ATOM 0 HG LEU A 53 1.565 4.064 -8.226 1.00 34.45 H new ATOM 0 HD11 LEU A 53 -0.910 4.071 -8.314 1.00 72.32 H new ATOM 0 HD12 LEU A 53 -0.190 3.238 -9.713 1.00 72.32 H new ATOM 0 HD13 LEU A 53 -0.904 2.293 -8.385 1.00 72.32 H new ATOM 0 HD21 LEU A 53 0.252 4.097 -6.115 1.00 72.31 H new ATOM 0 HD22 LEU A 53 0.345 2.321 -6.042 1.00 72.31 H new ATOM 0 HD23 LEU A 53 1.828 3.296 -5.909 1.00 72.31 H new ATOM 841 N GLU A 54 4.521 -0.209 -7.289 1.00 11.01 N ATOM 842 CA GLU A 54 5.267 -1.456 -7.560 1.00 72.53 C ATOM 843 C GLU A 54 4.300 -2.658 -7.497 1.00 54.22 C ATOM 844 O GLU A 54 3.612 -2.851 -6.491 1.00 22.32 O ATOM 845 CB GLU A 54 6.404 -1.615 -6.511 1.00 62.30 C ATOM 846 CG GLU A 54 7.299 -0.365 -6.329 1.00 54.12 C ATOM 847 CD GLU A 54 8.089 0.040 -7.588 1.00 0.54 C ATOM 848 OE1 GLU A 54 9.157 -0.561 -7.845 1.00 51.52 O ATOM 849 OE2 GLU A 54 7.650 0.953 -8.326 1.00 1.23 O ATOM 0 H GLU A 54 4.413 -0.005 -6.296 1.00 11.01 H new ATOM 0 HA GLU A 54 5.710 -1.415 -8.555 1.00 72.53 H new ATOM 0 HB2 GLU A 54 5.959 -1.869 -5.549 1.00 62.30 H new ATOM 0 HB3 GLU A 54 7.033 -2.456 -6.803 1.00 62.30 H new ATOM 0 HG2 GLU A 54 6.674 0.473 -6.022 1.00 54.12 H new ATOM 0 HG3 GLU A 54 8.003 -0.552 -5.518 1.00 54.12 H new ATOM 856 N ASN A 55 4.242 -3.460 -8.577 1.00 12.31 N ATOM 857 CA ASN A 55 3.281 -4.581 -8.691 1.00 2.33 C ATOM 858 C ASN A 55 3.965 -5.876 -9.178 1.00 44.21 C ATOM 859 O ASN A 55 4.920 -5.830 -9.958 1.00 11.41 O ATOM 860 CB ASN A 55 2.083 -4.217 -9.614 1.00 24.34 C ATOM 861 CG ASN A 55 2.445 -3.962 -11.090 1.00 71.22 C ATOM 862 OD1 ASN A 55 3.493 -3.207 -11.358 1.00 10.25 O flip ATOM 863 ND2 ASN A 55 1.737 -4.399 -11.993 1.00 42.20 N flip ATOM 0 H ASN A 55 4.851 -3.354 -9.388 1.00 12.31 H new ATOM 0 HA ASN A 55 2.893 -4.764 -7.689 1.00 2.33 H new ATOM 0 HB2 ASN A 55 1.353 -5.025 -9.570 1.00 24.34 H new ATOM 0 HB3 ASN A 55 1.597 -3.326 -9.217 1.00 24.34 H new ATOM 0 HD21 ASN A 55 0.930 -4.982 -11.771 1.00 42.20 H new ATOM 0 HD22 ASN A 55 1.956 -4.179 -12.965 1.00 42.20 H new ATOM 870 N GLU A 56 3.439 -7.023 -8.704 1.00 20.33 N ATOM 871 CA GLU A 56 3.932 -8.375 -9.059 1.00 1.11 C ATOM 872 C GLU A 56 2.938 -9.438 -8.533 1.00 33.04 C ATOM 873 O GLU A 56 3.056 -9.897 -7.395 1.00 64.00 O ATOM 874 CB GLU A 56 5.360 -8.608 -8.476 1.00 74.42 C ATOM 875 CG GLU A 56 5.978 -9.998 -8.744 1.00 0.44 C ATOM 876 CD GLU A 56 7.352 -10.172 -8.077 1.00 54.23 C ATOM 877 OE1 GLU A 56 7.411 -10.188 -6.827 1.00 41.12 O ATOM 878 OE2 GLU A 56 8.374 -10.285 -8.788 1.00 61.12 O ATOM 0 H GLU A 56 2.651 -7.040 -8.057 1.00 20.33 H new ATOM 0 HA GLU A 56 4.000 -8.461 -10.143 1.00 1.11 H new ATOM 0 HB2 GLU A 56 6.027 -7.850 -8.886 1.00 74.42 H new ATOM 0 HB3 GLU A 56 5.322 -8.450 -7.398 1.00 74.42 H new ATOM 0 HG2 GLU A 56 5.300 -10.770 -8.378 1.00 0.44 H new ATOM 0 HG3 GLU A 56 6.079 -10.146 -9.819 1.00 0.44 H new ATOM 885 N GLY A 57 1.933 -9.787 -9.354 1.00 10.00 N ATOM 886 CA GLY A 57 0.856 -10.702 -8.936 1.00 10.33 C ATOM 887 C GLY A 57 -0.036 -10.118 -7.817 1.00 23.13 C ATOM 888 O GLY A 57 -0.814 -9.193 -8.085 1.00 60.14 O ATOM 0 H GLY A 57 1.844 -9.449 -10.312 1.00 10.00 H new ATOM 0 HA2 GLY A 57 0.235 -10.941 -9.799 1.00 10.33 H new ATOM 0 HA3 GLY A 57 1.296 -11.638 -8.591 1.00 10.33 H new ATOM 892 N PRO A 58 0.055 -10.623 -6.539 1.00 64.13 N ATOM 893 CA PRO A 58 -0.665 -10.017 -5.390 1.00 71.25 C ATOM 894 C PRO A 58 0.070 -8.786 -4.788 1.00 41.13 C ATOM 895 O PRO A 58 -0.515 -8.046 -3.988 1.00 52.42 O ATOM 896 CB PRO A 58 -0.729 -11.187 -4.387 1.00 42.44 C ATOM 897 CG PRO A 58 0.545 -11.940 -4.620 1.00 61.25 C ATOM 898 CD PRO A 58 0.828 -11.832 -6.113 1.00 52.12 C ATOM 0 HA PRO A 58 -1.640 -9.618 -5.671 1.00 71.25 H new ATOM 0 HB2 PRO A 58 -0.797 -10.828 -3.360 1.00 42.44 H new ATOM 0 HB3 PRO A 58 -1.602 -11.816 -4.564 1.00 42.44 H new ATOM 0 HG2 PRO A 58 1.362 -11.516 -4.036 1.00 61.25 H new ATOM 0 HG3 PRO A 58 0.444 -12.982 -4.316 1.00 61.25 H new ATOM 0 HD2 PRO A 58 1.894 -11.715 -6.310 1.00 52.12 H new ATOM 0 HD3 PRO A 58 0.501 -12.724 -6.647 1.00 52.12 H new ATOM 906 N HIS A 59 1.350 -8.577 -5.191 1.00 44.20 N ATOM 907 CA HIS A 59 2.202 -7.479 -4.673 1.00 53.32 C ATOM 908 C HIS A 59 1.697 -6.113 -5.183 1.00 74.44 C ATOM 909 O HIS A 59 1.588 -5.913 -6.391 1.00 14.10 O ATOM 910 CB HIS A 59 3.686 -7.669 -5.100 1.00 34.34 C ATOM 911 CG HIS A 59 4.364 -8.909 -4.570 1.00 61.04 C ATOM 912 ND1 HIS A 59 3.922 -10.179 -4.408 1.00 71.43 N flip ATOM 913 CD2 HIS A 59 5.671 -8.917 -4.148 1.00 63.21 C flip ATOM 914 CE1 HIS A 59 4.960 -10.908 -3.900 1.00 30.02 C flip ATOM 915 NE2 HIS A 59 6.000 -10.122 -3.751 1.00 44.04 N flip ATOM 0 H HIS A 59 1.818 -9.164 -5.882 1.00 44.20 H new ATOM 0 HA HIS A 59 2.143 -7.505 -3.585 1.00 53.32 H new ATOM 0 HB2 HIS A 59 3.732 -7.689 -6.189 1.00 34.34 H new ATOM 0 HB3 HIS A 59 4.254 -6.798 -4.773 1.00 34.34 H new ATOM 0 HD2 HIS A 59 6.328 -8.060 -4.144 1.00 63.21 H new ATOM 0 HE1 HIS A 59 4.929 -11.961 -3.660 1.00 30.02 H new ATOM 0 HE2 HIS A 59 6.911 -10.402 -3.387 1.00 44.04 H new ATOM 924 N ARG A 60 1.355 -5.204 -4.250 1.00 21.11 N ATOM 925 CA ARG A 60 0.973 -3.802 -4.550 1.00 72.34 C ATOM 926 C ARG A 60 1.561 -2.875 -3.459 1.00 40.50 C ATOM 927 O ARG A 60 0.945 -2.659 -2.414 1.00 53.45 O ATOM 928 CB ARG A 60 -0.576 -3.650 -4.613 1.00 64.33 C ATOM 929 CG ARG A 60 -1.275 -4.334 -5.807 1.00 54.01 C ATOM 930 CD ARG A 60 -0.923 -3.673 -7.148 1.00 2.30 C ATOM 931 NE ARG A 60 -1.690 -4.250 -8.263 1.00 33.21 N ATOM 932 CZ ARG A 60 -2.309 -3.561 -9.207 1.00 43.12 C ATOM 933 NH1 ARG A 60 -2.318 -2.267 -9.200 1.00 22.10 N ATOM 934 NH2 ARG A 60 -2.937 -4.185 -10.145 1.00 33.32 N ATOM 0 H ARG A 60 1.335 -5.421 -3.253 1.00 21.11 H new ATOM 0 HA ARG A 60 1.374 -3.523 -5.524 1.00 72.34 H new ATOM 0 HB2 ARG A 60 -0.998 -4.051 -3.692 1.00 64.33 H new ATOM 0 HB3 ARG A 60 -0.816 -2.587 -4.637 1.00 64.33 H new ATOM 0 HG2 ARG A 60 -0.990 -5.386 -5.838 1.00 54.01 H new ATOM 0 HG3 ARG A 60 -2.355 -4.300 -5.661 1.00 54.01 H new ATOM 0 HD2 ARG A 60 -1.120 -2.603 -7.088 1.00 2.30 H new ATOM 0 HD3 ARG A 60 0.143 -3.791 -7.342 1.00 2.30 H new ATOM 0 HE ARG A 60 -1.749 -5.267 -8.312 1.00 33.21 H new ATOM 0 HH11 ARG A 60 -1.841 -1.758 -8.456 1.00 22.10 H new ATOM 0 HH12 ARG A 60 -2.802 -1.756 -9.939 1.00 22.10 H new ATOM 0 HH21 ARG A 60 -2.954 -5.205 -10.156 1.00 33.32 H new ATOM 0 HH22 ARG A 60 -3.416 -3.659 -10.876 1.00 33.32 H new ATOM 948 N ARG A 61 2.782 -2.365 -3.687 1.00 35.43 N ATOM 949 CA ARG A 61 3.504 -1.529 -2.702 1.00 22.24 C ATOM 950 C ARG A 61 3.845 -0.140 -3.296 1.00 12.30 C ATOM 951 O ARG A 61 4.579 -0.039 -4.278 1.00 21.30 O ATOM 952 CB ARG A 61 4.781 -2.276 -2.206 1.00 41.25 C ATOM 953 CG ARG A 61 4.488 -3.659 -1.558 1.00 74.14 C ATOM 954 CD ARG A 61 5.700 -4.288 -0.849 1.00 63.14 C ATOM 955 NE ARG A 61 5.339 -5.577 -0.214 1.00 53.52 N ATOM 956 CZ ARG A 61 5.485 -5.883 1.063 1.00 10.41 C ATOM 957 NH1 ARG A 61 6.025 -5.063 1.894 1.00 15.43 N ATOM 958 NH2 ARG A 61 5.094 -7.026 1.503 1.00 51.11 N ATOM 0 H ARG A 61 3.298 -2.517 -4.554 1.00 35.43 H new ATOM 0 HA ARG A 61 2.856 -1.357 -1.842 1.00 22.24 H new ATOM 0 HB2 ARG A 61 5.459 -2.416 -3.048 1.00 41.25 H new ATOM 0 HB3 ARG A 61 5.299 -1.648 -1.481 1.00 41.25 H new ATOM 0 HG2 ARG A 61 3.677 -3.547 -0.838 1.00 74.14 H new ATOM 0 HG3 ARG A 61 4.137 -4.343 -2.330 1.00 74.14 H new ATOM 0 HD2 ARG A 61 6.504 -4.446 -1.568 1.00 63.14 H new ATOM 0 HD3 ARG A 61 6.080 -3.601 -0.093 1.00 63.14 H new ATOM 0 HE ARG A 61 4.941 -6.295 -0.819 1.00 53.52 H new ATOM 0 HH11 ARG A 61 6.352 -4.152 1.572 1.00 15.43 H new ATOM 0 HH12 ARG A 61 6.126 -5.324 2.875 1.00 15.43 H new ATOM 0 HH21 ARG A 61 4.670 -7.700 0.866 1.00 51.11 H new ATOM 0 HH22 ARG A 61 5.208 -7.259 2.489 1.00 51.11 H new ATOM 972 N LEU A 62 3.277 0.922 -2.693 1.00 42.23 N ATOM 973 CA LEU A 62 3.506 2.324 -3.114 1.00 32.32 C ATOM 974 C LEU A 62 4.855 2.813 -2.540 1.00 35.23 C ATOM 975 O LEU A 62 5.029 2.867 -1.324 1.00 61.03 O ATOM 976 CB LEU A 62 2.309 3.206 -2.615 1.00 75.52 C ATOM 977 CG LEU A 62 2.122 4.652 -3.223 1.00 62.50 C ATOM 978 CD1 LEU A 62 0.738 5.233 -2.843 1.00 4.34 C ATOM 979 CD2 LEU A 62 3.234 5.641 -2.805 1.00 3.21 C ATOM 0 H LEU A 62 2.644 0.835 -1.898 1.00 42.23 H new ATOM 0 HA LEU A 62 3.556 2.399 -4.200 1.00 32.32 H new ATOM 0 HB2 LEU A 62 1.390 2.649 -2.799 1.00 75.52 H new ATOM 0 HB3 LEU A 62 2.406 3.313 -1.535 1.00 75.52 H new ATOM 0 HG LEU A 62 2.189 4.532 -4.304 1.00 62.50 H new ATOM 0 HD11 LEU A 62 0.631 6.229 -3.272 1.00 4.34 H new ATOM 0 HD12 LEU A 62 -0.048 4.585 -3.231 1.00 4.34 H new ATOM 0 HD13 LEU A 62 0.655 5.295 -1.758 1.00 4.34 H new ATOM 0 HD21 LEU A 62 3.044 6.614 -3.257 1.00 3.21 H new ATOM 0 HD22 LEU A 62 3.243 5.741 -1.720 1.00 3.21 H new ATOM 0 HD23 LEU A 62 4.200 5.266 -3.143 1.00 3.21 H new ATOM 991 N VAL A 63 5.807 3.155 -3.420 1.00 70.52 N ATOM 992 CA VAL A 63 7.083 3.778 -3.004 1.00 41.23 C ATOM 993 C VAL A 63 7.038 5.300 -3.280 1.00 12.52 C ATOM 994 O VAL A 63 6.716 5.744 -4.394 1.00 3.51 O ATOM 995 CB VAL A 63 8.325 3.114 -3.715 1.00 11.43 C ATOM 996 CG1 VAL A 63 9.662 3.769 -3.272 1.00 60.50 C ATOM 997 CG2 VAL A 63 8.349 1.585 -3.467 1.00 5.31 C ATOM 0 H VAL A 63 5.722 3.013 -4.426 1.00 70.52 H new ATOM 0 HA VAL A 63 7.206 3.611 -1.934 1.00 41.23 H new ATOM 0 HB VAL A 63 8.219 3.287 -4.786 1.00 11.43 H new ATOM 0 HG11 VAL A 63 10.492 3.283 -3.784 1.00 60.50 H new ATOM 0 HG12 VAL A 63 9.649 4.829 -3.526 1.00 60.50 H new ATOM 0 HG13 VAL A 63 9.784 3.655 -2.195 1.00 60.50 H new ATOM 0 HG21 VAL A 63 9.214 1.149 -3.967 1.00 5.31 H new ATOM 0 HG22 VAL A 63 8.413 1.391 -2.396 1.00 5.31 H new ATOM 0 HG23 VAL A 63 7.437 1.138 -3.863 1.00 5.31 H new ATOM 1007 N LEU A 64 7.328 6.094 -2.238 1.00 60.12 N ATOM 1008 CA LEU A 64 7.331 7.571 -2.309 1.00 0.24 C ATOM 1009 C LEU A 64 8.753 8.087 -1.927 1.00 41.23 C ATOM 1010 O LEU A 64 9.139 8.005 -0.755 1.00 74.33 O ATOM 1011 CB LEU A 64 6.213 8.155 -1.366 1.00 1.45 C ATOM 1012 CG LEU A 64 5.505 9.475 -1.829 1.00 3.11 C ATOM 1013 CD1 LEU A 64 6.497 10.627 -2.045 1.00 53.45 C ATOM 1014 CD2 LEU A 64 4.653 9.228 -3.089 1.00 74.32 C ATOM 0 H LEU A 64 7.569 5.732 -1.315 1.00 60.12 H new ATOM 0 HA LEU A 64 7.105 7.908 -3.321 1.00 0.24 H new ATOM 0 HB2 LEU A 64 5.448 7.390 -1.234 1.00 1.45 H new ATOM 0 HB3 LEU A 64 6.657 8.335 -0.387 1.00 1.45 H new ATOM 0 HG LEU A 64 4.841 9.782 -1.021 1.00 3.11 H new ATOM 0 HD11 LEU A 64 5.956 11.518 -2.365 1.00 53.45 H new ATOM 0 HD12 LEU A 64 7.021 10.836 -1.112 1.00 53.45 H new ATOM 0 HD13 LEU A 64 7.219 10.346 -2.812 1.00 53.45 H new ATOM 0 HD21 LEU A 64 4.172 10.158 -3.391 1.00 74.32 H new ATOM 0 HD22 LEU A 64 5.292 8.871 -3.896 1.00 74.32 H new ATOM 0 HD23 LEU A 64 3.891 8.479 -2.872 1.00 74.32 H new ATOM 1026 N PRO A 65 9.562 8.609 -2.915 1.00 52.50 N ATOM 1027 CA PRO A 65 10.944 9.099 -2.647 1.00 53.22 C ATOM 1028 C PRO A 65 10.997 10.386 -1.767 1.00 52.52 C ATOM 1029 O PRO A 65 11.646 10.403 -0.716 1.00 34.24 O ATOM 1030 CB PRO A 65 11.519 9.342 -4.070 1.00 13.42 C ATOM 1031 CG PRO A 65 10.317 9.585 -4.935 1.00 24.43 C ATOM 1032 CD PRO A 65 9.217 8.713 -4.365 1.00 51.01 C ATOM 0 HA PRO A 65 11.519 8.381 -2.062 1.00 53.22 H new ATOM 0 HB2 PRO A 65 12.194 10.197 -4.083 1.00 13.42 H new ATOM 0 HB3 PRO A 65 12.089 8.481 -4.418 1.00 13.42 H new ATOM 0 HG2 PRO A 65 10.030 10.636 -4.920 1.00 24.43 H new ATOM 0 HG3 PRO A 65 10.523 9.326 -5.973 1.00 24.43 H new ATOM 0 HD2 PRO A 65 8.234 9.161 -4.511 1.00 51.01 H new ATOM 0 HD3 PRO A 65 9.195 7.733 -4.842 1.00 51.01 H new ATOM 1040 N ALA A 66 10.308 11.457 -2.202 1.00 62.45 N ATOM 1041 CA ALA A 66 10.310 12.761 -1.506 1.00 31.02 C ATOM 1042 C ALA A 66 8.885 13.130 -1.041 1.00 13.14 C ATOM 1043 O ALA A 66 8.124 13.771 -1.779 1.00 44.03 O ATOM 1044 CB ALA A 66 10.906 13.842 -2.426 1.00 13.50 C ATOM 0 H ALA A 66 9.734 11.445 -3.045 1.00 62.45 H new ATOM 0 HA ALA A 66 10.934 12.692 -0.615 1.00 31.02 H new ATOM 0 HB1 ALA A 66 10.905 14.801 -1.908 1.00 13.50 H new ATOM 0 HB2 ALA A 66 11.929 13.572 -2.689 1.00 13.50 H new ATOM 0 HB3 ALA A 66 10.306 13.919 -3.333 1.00 13.50 H new ATOM 1050 N THR A 67 8.514 12.676 0.173 1.00 51.42 N ATOM 1051 CA THR A 67 7.151 12.882 0.731 1.00 54.54 C ATOM 1052 C THR A 67 7.011 14.276 1.381 1.00 30.43 C ATOM 1053 O THR A 67 7.432 14.493 2.528 1.00 54.13 O ATOM 1054 CB THR A 67 6.781 11.766 1.771 1.00 4.32 C ATOM 1055 OG1 THR A 67 7.112 10.471 1.236 1.00 13.32 O ATOM 1056 CG2 THR A 67 5.282 11.778 2.147 1.00 11.44 C ATOM 0 H THR A 67 9.139 12.161 0.793 1.00 51.42 H new ATOM 0 HA THR A 67 6.454 12.819 -0.105 1.00 54.54 H new ATOM 0 HB THR A 67 7.356 11.972 2.673 1.00 4.32 H new ATOM 0 HG1 THR A 67 8.033 10.241 1.481 1.00 13.32 H new ATOM 0 HG21 THR A 67 5.082 10.986 2.869 1.00 11.44 H new ATOM 0 HG22 THR A 67 5.025 12.742 2.585 1.00 11.44 H new ATOM 0 HG23 THR A 67 4.681 11.614 1.252 1.00 11.44 H new ATOM 1064 N GLN A 68 6.445 15.218 0.616 1.00 22.44 N ATOM 1065 CA GLN A 68 6.148 16.587 1.089 1.00 64.53 C ATOM 1066 C GLN A 68 4.972 16.569 2.124 1.00 13.34 C ATOM 1067 O GLN A 68 4.267 15.554 2.232 1.00 61.42 O ATOM 1068 CB GLN A 68 5.816 17.480 -0.146 1.00 63.23 C ATOM 1069 CG GLN A 68 6.961 17.608 -1.174 1.00 72.50 C ATOM 1070 CD GLN A 68 6.566 18.401 -2.426 1.00 75.05 C ATOM 1071 OE1 GLN A 68 6.126 17.843 -3.429 1.00 51.31 O ATOM 1072 NE2 GLN A 68 6.702 19.714 -2.374 1.00 63.35 N ATOM 0 H GLN A 68 6.177 15.056 -0.355 1.00 22.44 H new ATOM 0 HA GLN A 68 7.015 17.002 1.602 1.00 64.53 H new ATOM 0 HB2 GLN A 68 4.939 17.071 -0.648 1.00 63.23 H new ATOM 0 HB3 GLN A 68 5.547 18.476 0.205 1.00 63.23 H new ATOM 0 HG2 GLN A 68 7.814 18.093 -0.699 1.00 72.50 H new ATOM 0 HG3 GLN A 68 7.286 16.611 -1.471 1.00 72.50 H new ATOM 0 HE21 GLN A 68 7.069 20.156 -1.531 1.00 63.35 H new ATOM 0 HE22 GLN A 68 6.440 20.286 -3.177 1.00 63.35 H new ATOM 1081 N PRO A 69 4.733 17.673 2.916 1.00 63.43 N ATOM 1082 CA PRO A 69 3.578 17.738 3.862 1.00 41.32 C ATOM 1083 C PRO A 69 2.183 17.604 3.175 1.00 30.40 C ATOM 1084 O PRO A 69 1.191 17.319 3.846 1.00 31.22 O ATOM 1085 CB PRO A 69 3.750 19.117 4.561 1.00 1.42 C ATOM 1086 CG PRO A 69 4.629 19.907 3.641 1.00 3.54 C ATOM 1087 CD PRO A 69 5.565 18.906 3.003 1.00 2.21 C ATOM 0 HA PRO A 69 3.589 16.897 4.555 1.00 41.32 H new ATOM 0 HB2 PRO A 69 2.788 19.609 4.708 1.00 1.42 H new ATOM 0 HB3 PRO A 69 4.205 19.007 5.545 1.00 1.42 H new ATOM 0 HG2 PRO A 69 4.038 20.426 2.886 1.00 3.54 H new ATOM 0 HG3 PRO A 69 5.185 20.668 4.189 1.00 3.54 H new ATOM 0 HD2 PRO A 69 5.899 19.237 2.020 1.00 2.21 H new ATOM 0 HD3 PRO A 69 6.458 18.748 3.607 1.00 2.21 H new ATOM 1095 N SER A 70 2.115 17.810 1.840 1.00 3.23 N ATOM 1096 CA SER A 70 0.868 17.590 1.054 1.00 2.43 C ATOM 1097 C SER A 70 0.728 16.127 0.562 1.00 1.04 C ATOM 1098 O SER A 70 -0.340 15.732 0.083 1.00 52.11 O ATOM 1099 CB SER A 70 0.823 18.552 -0.151 1.00 12.15 C ATOM 1100 OG SER A 70 0.831 19.908 0.275 1.00 64.53 O ATOM 0 H SER A 70 2.906 18.128 1.280 1.00 3.23 H new ATOM 0 HA SER A 70 0.030 17.792 1.721 1.00 2.43 H new ATOM 0 HB2 SER A 70 1.679 18.367 -0.800 1.00 12.15 H new ATOM 0 HB3 SER A 70 -0.073 18.358 -0.741 1.00 12.15 H new ATOM 0 HG SER A 70 0.804 20.497 -0.508 1.00 64.53 H new ATOM 1106 N ASP A 71 1.812 15.333 0.663 1.00 71.22 N ATOM 1107 CA ASP A 71 1.836 13.909 0.220 1.00 21.31 C ATOM 1108 C ASP A 71 1.637 12.908 1.383 1.00 52.11 C ATOM 1109 O ASP A 71 1.662 11.687 1.167 1.00 35.22 O ATOM 1110 CB ASP A 71 3.141 13.627 -0.557 1.00 3.02 C ATOM 1111 CG ASP A 71 3.201 14.444 -1.851 1.00 51.20 C ATOM 1112 OD1 ASP A 71 2.668 13.978 -2.882 1.00 31.41 O ATOM 1113 OD2 ASP A 71 3.723 15.575 -1.825 1.00 20.33 O ATOM 0 H ASP A 71 2.699 15.652 1.052 1.00 71.22 H new ATOM 0 HA ASP A 71 0.985 13.757 -0.443 1.00 21.31 H new ATOM 0 HB2 ASP A 71 4.000 13.869 0.069 1.00 3.02 H new ATOM 0 HB3 ASP A 71 3.206 12.564 -0.791 1.00 3.02 H new ATOM 1118 N GLY A 72 1.405 13.429 2.597 1.00 1.22 N ATOM 1119 CA GLY A 72 1.019 12.600 3.750 1.00 33.43 C ATOM 1120 C GLY A 72 -0.475 12.245 3.750 1.00 24.32 C ATOM 1121 O GLY A 72 -1.018 11.836 2.716 1.00 54.23 O ATOM 0 H GLY A 72 1.478 14.425 2.807 1.00 1.22 H new ATOM 0 HA2 GLY A 72 1.607 11.682 3.745 1.00 33.43 H new ATOM 0 HA3 GLY A 72 1.263 13.130 4.671 1.00 33.43 H new ATOM 1125 N GLY A 73 -1.142 12.388 4.908 1.00 44.11 N ATOM 1126 CA GLY A 73 -2.596 12.191 4.995 1.00 52.04 C ATOM 1127 C GLY A 73 -3.035 10.719 4.991 1.00 21.14 C ATOM 1128 O GLY A 73 -2.231 9.815 5.255 1.00 22.12 O ATOM 0 H GLY A 73 -0.698 12.638 5.792 1.00 44.11 H new ATOM 0 HA2 GLY A 73 -2.961 12.665 5.906 1.00 52.04 H new ATOM 0 HA3 GLY A 73 -3.071 12.702 4.158 1.00 52.04 H new ATOM 1132 N GLU A 74 -4.325 10.483 4.683 1.00 4.42 N ATOM 1133 CA GLU A 74 -4.932 9.131 4.685 1.00 43.12 C ATOM 1134 C GLU A 74 -4.849 8.460 3.293 1.00 62.10 C ATOM 1135 O GLU A 74 -5.202 9.065 2.278 1.00 22.11 O ATOM 1136 CB GLU A 74 -6.409 9.220 5.149 1.00 4.31 C ATOM 1137 CG GLU A 74 -6.577 9.751 6.585 1.00 64.54 C ATOM 1138 CD GLU A 74 -8.048 9.863 7.022 1.00 4.51 C ATOM 1139 OE1 GLU A 74 -8.701 10.874 6.681 1.00 54.44 O ATOM 1140 OE2 GLU A 74 -8.558 8.941 7.700 1.00 73.41 O ATOM 0 H GLU A 74 -4.979 11.222 4.425 1.00 4.42 H new ATOM 0 HA GLU A 74 -4.366 8.511 5.381 1.00 43.12 H new ATOM 0 HB2 GLU A 74 -6.957 9.868 4.465 1.00 4.31 H new ATOM 0 HB3 GLU A 74 -6.862 8.231 5.082 1.00 4.31 H new ATOM 0 HG2 GLU A 74 -6.050 9.091 7.274 1.00 64.54 H new ATOM 0 HG3 GLU A 74 -6.107 10.731 6.660 1.00 64.54 H new ATOM 1147 N PHE A 75 -4.341 7.213 3.264 1.00 13.42 N ATOM 1148 CA PHE A 75 -4.347 6.343 2.063 1.00 51.41 C ATOM 1149 C PHE A 75 -5.287 5.131 2.275 1.00 13.52 C ATOM 1150 O PHE A 75 -5.659 4.802 3.408 1.00 44.33 O ATOM 1151 CB PHE A 75 -2.911 5.867 1.715 1.00 44.12 C ATOM 1152 CG PHE A 75 -1.958 6.986 1.297 1.00 34.20 C ATOM 1153 CD1 PHE A 75 -1.318 7.784 2.249 1.00 50.12 C ATOM 1154 CD2 PHE A 75 -1.701 7.238 -0.053 1.00 11.40 C ATOM 1155 CE1 PHE A 75 -0.452 8.789 1.865 1.00 30.23 C ATOM 1156 CE2 PHE A 75 -0.833 8.244 -0.433 1.00 73.33 C ATOM 1157 CZ PHE A 75 -0.211 9.020 0.524 1.00 10.30 C ATOM 0 H PHE A 75 -3.911 6.774 4.078 1.00 13.42 H new ATOM 0 HA PHE A 75 -4.721 6.928 1.223 1.00 51.41 H new ATOM 0 HB2 PHE A 75 -2.492 5.354 2.581 1.00 44.12 H new ATOM 0 HB3 PHE A 75 -2.969 5.136 0.909 1.00 44.12 H new ATOM 0 HD1 PHE A 75 -1.503 7.613 3.299 1.00 50.12 H new ATOM 0 HD2 PHE A 75 -2.187 6.639 -0.809 1.00 11.40 H new ATOM 0 HE1 PHE A 75 0.037 9.395 2.613 1.00 30.23 H new ATOM 0 HE2 PHE A 75 -0.641 8.423 -1.481 1.00 73.33 H new ATOM 0 HZ PHE A 75 0.464 9.808 0.225 1.00 10.30 H new ATOM 1167 N GLN A 76 -5.660 4.484 1.163 1.00 70.42 N ATOM 1168 CA GLN A 76 -6.623 3.360 1.143 1.00 4.31 C ATOM 1169 C GLN A 76 -6.269 2.359 0.013 1.00 24.04 C ATOM 1170 O GLN A 76 -5.821 2.767 -1.058 1.00 13.31 O ATOM 1171 CB GLN A 76 -8.055 3.923 0.953 1.00 13.51 C ATOM 1172 CG GLN A 76 -9.178 2.865 0.948 1.00 71.21 C ATOM 1173 CD GLN A 76 -10.581 3.440 0.717 1.00 12.14 C ATOM 1174 OE1 GLN A 76 -10.704 4.479 -0.096 1.00 2.25 O flip ATOM 1175 NE2 GLN A 76 -11.562 2.919 1.233 1.00 34.22 N flip ATOM 0 H GLN A 76 -5.301 4.724 0.239 1.00 70.42 H new ATOM 0 HA GLN A 76 -6.572 2.821 2.089 1.00 4.31 H new ATOM 0 HB2 GLN A 76 -8.256 4.640 1.749 1.00 13.51 H new ATOM 0 HB3 GLN A 76 -8.091 4.473 0.013 1.00 13.51 H new ATOM 0 HG2 GLN A 76 -8.966 2.130 0.171 1.00 71.21 H new ATOM 0 HG3 GLN A 76 -9.167 2.335 1.900 1.00 71.21 H new ATOM 0 HE21 GLN A 76 -11.446 2.120 1.856 1.00 34.22 H new ATOM 0 HE22 GLN A 76 -12.494 3.284 1.040 1.00 34.22 H new ATOM 1184 N CYS A 77 -6.479 1.050 0.261 1.00 71.14 N ATOM 1185 CA CYS A 77 -6.194 -0.024 -0.723 1.00 22.44 C ATOM 1186 C CYS A 77 -7.403 -0.962 -0.885 1.00 61.25 C ATOM 1187 O CYS A 77 -7.573 -1.900 -0.107 1.00 64.51 O ATOM 1188 CB CYS A 77 -4.954 -0.818 -0.282 1.00 53.45 C ATOM 1189 SG CYS A 77 -3.440 0.147 -0.307 1.00 4.53 S ATOM 0 H CYS A 77 -6.850 0.704 1.146 1.00 71.14 H new ATOM 0 HA CYS A 77 -5.998 0.437 -1.691 1.00 22.44 H new ATOM 0 HB2 CYS A 77 -5.116 -1.199 0.726 1.00 53.45 H new ATOM 0 HB3 CYS A 77 -4.835 -1.683 -0.935 1.00 53.45 H new ATOM 0 HG CYS A 77 -2.786 -0.044 0.800 1.00 4.53 H new ATOM 1195 N VAL A 78 -8.223 -0.714 -1.919 1.00 61.31 N ATOM 1196 CA VAL A 78 -9.470 -1.475 -2.171 1.00 63.51 C ATOM 1197 C VAL A 78 -9.210 -2.627 -3.171 1.00 64.52 C ATOM 1198 O VAL A 78 -9.010 -2.388 -4.364 1.00 72.03 O ATOM 1199 CB VAL A 78 -10.609 -0.533 -2.719 1.00 64.50 C ATOM 1200 CG1 VAL A 78 -11.952 -1.283 -2.865 1.00 61.04 C ATOM 1201 CG2 VAL A 78 -10.771 0.723 -1.832 1.00 4.44 C ATOM 0 H VAL A 78 -8.046 0.018 -2.607 1.00 61.31 H new ATOM 0 HA VAL A 78 -9.800 -1.897 -1.222 1.00 63.51 H new ATOM 0 HB VAL A 78 -10.306 -0.207 -3.714 1.00 64.50 H new ATOM 0 HG11 VAL A 78 -12.711 -0.599 -3.245 1.00 61.04 H new ATOM 0 HG12 VAL A 78 -11.831 -2.114 -3.560 1.00 61.04 H new ATOM 0 HG13 VAL A 78 -12.263 -1.666 -1.893 1.00 61.04 H new ATOM 0 HG21 VAL A 78 -11.564 1.353 -2.235 1.00 4.44 H new ATOM 0 HG22 VAL A 78 -11.029 0.421 -0.817 1.00 4.44 H new ATOM 0 HG23 VAL A 78 -9.835 1.282 -1.818 1.00 4.44 H new ATOM 1211 N ALA A 79 -9.206 -3.874 -2.668 1.00 4.42 N ATOM 1212 CA ALA A 79 -8.932 -5.076 -3.489 1.00 11.14 C ATOM 1213 C ALA A 79 -10.167 -5.475 -4.338 1.00 72.31 C ATOM 1214 O ALA A 79 -10.256 -5.143 -5.528 1.00 33.43 O ATOM 1215 CB ALA A 79 -8.472 -6.232 -2.579 1.00 64.51 C ATOM 0 H ALA A 79 -9.391 -4.081 -1.687 1.00 4.42 H new ATOM 0 HA ALA A 79 -8.130 -4.846 -4.190 1.00 11.14 H new ATOM 0 HB1 ALA A 79 -8.271 -7.115 -3.186 1.00 64.51 H new ATOM 0 HB2 ALA A 79 -7.564 -5.940 -2.051 1.00 64.51 H new ATOM 0 HB3 ALA A 79 -9.255 -6.459 -1.856 1.00 64.51 H new ATOM 1221 N GLY A 80 -11.130 -6.139 -3.688 1.00 24.50 N ATOM 1222 CA GLY A 80 -12.350 -6.636 -4.344 1.00 41.24 C ATOM 1223 C GLY A 80 -13.286 -7.324 -3.344 1.00 54.20 C ATOM 1224 O GLY A 80 -14.065 -8.207 -3.714 1.00 35.32 O ATOM 0 H GLY A 80 -11.087 -6.348 -2.691 1.00 24.50 H new ATOM 0 HA2 GLY A 80 -12.872 -5.806 -4.820 1.00 41.24 H new ATOM 0 HA3 GLY A 80 -12.080 -7.338 -5.133 1.00 41.24 H new ATOM 1228 N ASP A 81 -13.202 -6.875 -2.070 1.00 64.02 N ATOM 1229 CA ASP A 81 -13.874 -7.489 -0.898 1.00 42.22 C ATOM 1230 C ASP A 81 -13.465 -6.711 0.380 1.00 64.42 C ATOM 1231 O ASP A 81 -14.307 -6.156 1.099 1.00 33.41 O ATOM 1232 CB ASP A 81 -13.486 -8.992 -0.765 1.00 55.23 C ATOM 1233 CG ASP A 81 -14.112 -9.717 0.439 1.00 3.14 C ATOM 1234 OD1 ASP A 81 -15.358 -9.742 0.540 1.00 44.23 O ATOM 1235 OD2 ASP A 81 -13.372 -10.273 1.278 1.00 40.45 O ATOM 0 H ASP A 81 -12.651 -6.054 -1.821 1.00 64.02 H new ATOM 0 HA ASP A 81 -14.954 -7.434 -1.032 1.00 42.22 H new ATOM 0 HB2 ASP A 81 -13.781 -9.511 -1.677 1.00 55.23 H new ATOM 0 HB3 ASP A 81 -12.401 -9.067 -0.692 1.00 55.23 H new ATOM 1240 N GLU A 82 -12.143 -6.680 0.639 1.00 70.10 N ATOM 1241 CA GLU A 82 -11.537 -5.952 1.784 1.00 75.33 C ATOM 1242 C GLU A 82 -10.822 -4.654 1.319 1.00 34.42 C ATOM 1243 O GLU A 82 -10.549 -4.473 0.123 1.00 11.53 O ATOM 1244 CB GLU A 82 -10.530 -6.881 2.518 1.00 4.11 C ATOM 1245 CG GLU A 82 -11.142 -8.173 3.104 1.00 24.03 C ATOM 1246 CD GLU A 82 -12.123 -7.914 4.259 1.00 31.04 C ATOM 1247 OE1 GLU A 82 -11.664 -7.613 5.384 1.00 23.52 O ATOM 1248 OE2 GLU A 82 -13.352 -8.017 4.057 1.00 11.21 O ATOM 0 H GLU A 82 -11.456 -7.161 0.058 1.00 70.10 H new ATOM 0 HA GLU A 82 -12.337 -5.664 2.466 1.00 75.33 H new ATOM 0 HB2 GLU A 82 -9.738 -7.155 1.822 1.00 4.11 H new ATOM 0 HB3 GLU A 82 -10.063 -6.319 3.327 1.00 4.11 H new ATOM 0 HG2 GLU A 82 -11.660 -8.713 2.311 1.00 24.03 H new ATOM 0 HG3 GLU A 82 -10.338 -8.819 3.457 1.00 24.03 H new ATOM 1255 N CYS A 83 -10.517 -3.757 2.287 1.00 72.12 N ATOM 1256 CA CYS A 83 -9.758 -2.509 2.027 1.00 62.24 C ATOM 1257 C CYS A 83 -8.864 -2.117 3.229 1.00 12.44 C ATOM 1258 O CYS A 83 -9.326 -2.084 4.376 1.00 43.44 O ATOM 1259 CB CYS A 83 -10.707 -1.344 1.649 1.00 41.24 C ATOM 1260 SG CYS A 83 -11.926 -0.913 2.910 1.00 51.20 S ATOM 0 H CYS A 83 -10.788 -3.876 3.263 1.00 72.12 H new ATOM 0 HA CYS A 83 -9.102 -2.705 1.179 1.00 62.24 H new ATOM 0 HB2 CYS A 83 -10.106 -0.462 1.430 1.00 41.24 H new ATOM 0 HB3 CYS A 83 -11.233 -1.607 0.731 1.00 41.24 H new ATOM 0 HG CYS A 83 -11.447 -1.186 4.087 1.00 51.20 H new ATOM 1266 N ALA A 84 -7.574 -1.814 2.942 1.00 35.52 N ATOM 1267 CA ALA A 84 -6.574 -1.416 3.964 1.00 13.20 C ATOM 1268 C ALA A 84 -6.501 0.118 4.104 1.00 2.04 C ATOM 1269 O ALA A 84 -6.872 0.849 3.182 1.00 32.24 O ATOM 1270 CB ALA A 84 -5.189 -1.982 3.601 1.00 50.04 C ATOM 0 H ALA A 84 -7.197 -1.839 1.994 1.00 35.52 H new ATOM 0 HA ALA A 84 -6.888 -1.829 4.923 1.00 13.20 H new ATOM 0 HB1 ALA A 84 -4.464 -1.683 4.358 1.00 50.04 H new ATOM 0 HB2 ALA A 84 -5.241 -3.070 3.557 1.00 50.04 H new ATOM 0 HB3 ALA A 84 -4.880 -1.594 2.630 1.00 50.04 H new ATOM 1276 N TYR A 85 -6.024 0.602 5.272 1.00 75.13 N ATOM 1277 CA TYR A 85 -5.931 2.056 5.574 1.00 55.34 C ATOM 1278 C TYR A 85 -4.533 2.442 6.127 1.00 25.42 C ATOM 1279 O TYR A 85 -3.974 1.761 6.997 1.00 71.43 O ATOM 1280 CB TYR A 85 -7.042 2.480 6.572 1.00 24.53 C ATOM 1281 CG TYR A 85 -8.467 2.271 6.029 1.00 4.32 C ATOM 1282 CD1 TYR A 85 -9.038 3.193 5.146 1.00 53.42 C ATOM 1283 CD2 TYR A 85 -9.229 1.151 6.385 1.00 22.35 C ATOM 1284 CE1 TYR A 85 -10.309 3.001 4.638 1.00 32.41 C ATOM 1285 CE2 TYR A 85 -10.496 0.962 5.874 1.00 54.11 C ATOM 1286 CZ TYR A 85 -11.030 1.891 5.011 1.00 61.01 C ATOM 1287 OH TYR A 85 -12.301 1.707 4.522 1.00 42.43 O ATOM 0 H TYR A 85 -5.694 0.005 6.030 1.00 75.13 H new ATOM 0 HA TYR A 85 -6.075 2.592 4.636 1.00 55.34 H new ATOM 0 HB2 TYR A 85 -6.926 1.912 7.495 1.00 24.53 H new ATOM 0 HB3 TYR A 85 -6.909 3.532 6.826 1.00 24.53 H new ATOM 0 HD1 TYR A 85 -8.477 4.069 4.856 1.00 53.42 H new ATOM 0 HD2 TYR A 85 -8.818 0.424 7.070 1.00 22.35 H new ATOM 0 HE1 TYR A 85 -10.734 3.719 3.952 1.00 32.41 H new ATOM 0 HE2 TYR A 85 -11.067 0.088 6.150 1.00 54.11 H new ATOM 0 HH TYR A 85 -12.365 0.825 4.101 1.00 42.43 H new ATOM 1297 N PHE A 86 -3.986 3.552 5.592 1.00 55.04 N ATOM 1298 CA PHE A 86 -2.652 4.093 5.951 1.00 65.30 C ATOM 1299 C PHE A 86 -2.801 5.560 6.431 1.00 54.42 C ATOM 1300 O PHE A 86 -3.715 6.267 6.002 1.00 30.21 O ATOM 1301 CB PHE A 86 -1.693 4.045 4.723 1.00 20.04 C ATOM 1302 CG PHE A 86 -1.543 2.669 4.065 1.00 23.41 C ATOM 1303 CD1 PHE A 86 -2.556 2.143 3.253 1.00 44.22 C ATOM 1304 CD2 PHE A 86 -0.396 1.901 4.250 1.00 52.25 C ATOM 1305 CE1 PHE A 86 -2.421 0.904 2.664 1.00 15.23 C ATOM 1306 CE2 PHE A 86 -0.263 0.664 3.657 1.00 50.41 C ATOM 1307 CZ PHE A 86 -1.276 0.165 2.866 1.00 74.41 C ATOM 0 H PHE A 86 -4.465 4.110 4.885 1.00 55.04 H new ATOM 0 HA PHE A 86 -2.231 3.482 6.750 1.00 65.30 H new ATOM 0 HB2 PHE A 86 -2.052 4.751 3.974 1.00 20.04 H new ATOM 0 HB3 PHE A 86 -0.708 4.389 5.038 1.00 20.04 H new ATOM 0 HD1 PHE A 86 -3.456 2.716 3.086 1.00 44.22 H new ATOM 0 HD2 PHE A 86 0.403 2.281 4.869 1.00 52.25 H new ATOM 0 HE1 PHE A 86 -3.214 0.512 2.044 1.00 15.23 H new ATOM 0 HE2 PHE A 86 0.635 0.085 3.812 1.00 50.41 H new ATOM 0 HZ PHE A 86 -1.172 -0.806 2.404 1.00 74.41 H new ATOM 1317 N THR A 87 -1.894 6.007 7.308 1.00 54.11 N ATOM 1318 CA THR A 87 -1.859 7.399 7.818 1.00 52.01 C ATOM 1319 C THR A 87 -0.397 7.878 7.900 1.00 53.12 C ATOM 1320 O THR A 87 0.345 7.494 8.809 1.00 43.41 O ATOM 1321 CB THR A 87 -2.544 7.530 9.232 1.00 34.31 C ATOM 1322 OG1 THR A 87 -3.950 7.238 9.128 1.00 42.35 O ATOM 1323 CG2 THR A 87 -2.361 8.932 9.864 1.00 64.04 C ATOM 0 H THR A 87 -1.156 5.416 7.691 1.00 54.11 H new ATOM 0 HA THR A 87 -2.421 8.023 7.124 1.00 52.01 H new ATOM 0 HB THR A 87 -2.051 6.810 9.885 1.00 34.31 H new ATOM 0 HG1 THR A 87 -4.367 7.320 10.011 1.00 42.35 H new ATOM 0 HG21 THR A 87 -2.854 8.960 10.836 1.00 64.04 H new ATOM 0 HG22 THR A 87 -1.298 9.138 9.990 1.00 64.04 H new ATOM 0 HG23 THR A 87 -2.802 9.686 9.211 1.00 64.04 H new ATOM 1331 N VAL A 88 0.019 8.696 6.924 1.00 2.32 N ATOM 1332 CA VAL A 88 1.376 9.274 6.884 1.00 3.14 C ATOM 1333 C VAL A 88 1.365 10.689 7.515 1.00 2.54 C ATOM 1334 O VAL A 88 0.727 11.598 6.984 1.00 64.55 O ATOM 1335 CB VAL A 88 1.930 9.335 5.411 1.00 21.04 C ATOM 1336 CG1 VAL A 88 3.380 9.892 5.368 1.00 24.34 C ATOM 1337 CG2 VAL A 88 1.839 7.944 4.736 1.00 72.35 C ATOM 0 H VAL A 88 -0.571 8.977 6.141 1.00 2.32 H new ATOM 0 HA VAL A 88 2.038 8.629 7.461 1.00 3.14 H new ATOM 0 HB VAL A 88 1.305 10.027 4.847 1.00 21.04 H new ATOM 0 HG11 VAL A 88 3.729 9.919 4.336 1.00 24.34 H new ATOM 0 HG12 VAL A 88 3.395 10.900 5.783 1.00 24.34 H new ATOM 0 HG13 VAL A 88 4.035 9.248 5.955 1.00 24.34 H new ATOM 0 HG21 VAL A 88 2.226 8.007 3.719 1.00 72.35 H new ATOM 0 HG22 VAL A 88 2.428 7.224 5.305 1.00 72.35 H new ATOM 0 HG23 VAL A 88 0.799 7.620 4.708 1.00 72.35 H new ATOM 1347 N THR A 89 2.049 10.855 8.661 1.00 4.01 N ATOM 1348 CA THR A 89 2.146 12.157 9.369 1.00 72.21 C ATOM 1349 C THR A 89 3.552 12.772 9.168 1.00 21.31 C ATOM 1350 O THR A 89 4.563 12.174 9.561 1.00 3.20 O ATOM 1351 CB THR A 89 1.842 11.998 10.900 1.00 34.02 C ATOM 1352 OG1 THR A 89 0.557 11.370 11.080 1.00 41.22 O ATOM 1353 CG2 THR A 89 1.850 13.349 11.650 1.00 21.20 C ATOM 0 H THR A 89 2.550 10.098 9.126 1.00 4.01 H new ATOM 0 HA THR A 89 1.398 12.826 8.944 1.00 72.21 H new ATOM 0 HB THR A 89 2.636 11.379 11.319 1.00 34.02 H new ATOM 0 HG1 THR A 89 0.372 11.271 12.037 1.00 41.22 H new ATOM 0 HG21 THR A 89 1.634 13.181 12.705 1.00 21.20 H new ATOM 0 HG22 THR A 89 2.830 13.815 11.550 1.00 21.20 H new ATOM 0 HG23 THR A 89 1.091 14.006 11.225 1.00 21.20 H new ATOM 1361 N ILE A 90 3.603 13.964 8.545 1.00 60.11 N ATOM 1362 CA ILE A 90 4.864 14.692 8.265 1.00 20.32 C ATOM 1363 C ILE A 90 5.150 15.748 9.358 1.00 43.20 C ATOM 1364 O ILE A 90 5.022 15.491 10.559 1.00 4.45 O ATOM 1365 CB ILE A 90 4.801 15.388 6.849 1.00 61.44 C ATOM 1366 CG1 ILE A 90 4.528 14.349 5.708 1.00 41.11 C ATOM 1367 CG2 ILE A 90 6.080 16.211 6.546 1.00 51.54 C ATOM 1368 CD1 ILE A 90 5.605 13.292 5.522 1.00 21.51 C ATOM 0 H ILE A 90 2.770 14.455 8.219 1.00 60.11 H new ATOM 0 HA ILE A 90 5.675 13.964 8.266 1.00 20.32 H new ATOM 0 HB ILE A 90 3.963 16.084 6.881 1.00 61.44 H new ATOM 0 HG12 ILE A 90 3.582 13.848 5.914 1.00 41.11 H new ATOM 0 HG13 ILE A 90 4.405 14.889 4.769 1.00 41.11 H new ATOM 0 HG21 ILE A 90 5.992 16.671 5.562 1.00 51.54 H new ATOM 0 HG22 ILE A 90 6.200 16.988 7.301 1.00 51.54 H new ATOM 0 HG23 ILE A 90 6.949 15.553 6.562 1.00 51.54 H new ATOM 0 HD11 ILE A 90 5.322 12.623 4.710 1.00 21.51 H new ATOM 0 HD12 ILE A 90 6.551 13.776 5.280 1.00 21.51 H new ATOM 0 HD13 ILE A 90 5.715 12.719 6.443 1.00 21.51 H new TER 1380 ILE A 90