USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 832 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 67 TYR OH : rot -154:sc= 1.08 USER MOD Set 1.2: A 80 MET CE :methyl -177:sc= -0.402 (180deg=-0.425) USER MOD Set 2.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 53 LYS NZ :NH3+ 157:sc= -0.0432 (180deg=-0.332) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -134:sc= -0.029 (180deg=-0.419) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 135:sc= 0.672 USER MOD Single : A 15 SER OG : rot -136:sc= 0.178 USER MOD Single : A 16 GLN :FLIP amide:sc= -1.08 F(o=-2.1!,f=-1.1) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.035 USER MOD Single : A 18 HIS : no HE2:sc= -6.03! C(o=-6!,f=-9.9!) USER MOD Single : A 19 THR OG1 : rot 54:sc= 0.0299 USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0358) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -4.14! C(o=-4.1!,f=-9.6!) USER MOD Single : A 33 HIS :FLIP no HE2:sc= 0.00114 F(o=-0.82,f=0.0011) USER MOD Single : A 39 LYS NZ :NH3+ -110:sc= 0.414 (180deg=-0.135) USER MOD Single : A 40 THR OG1 : rot 163:sc= 0.282 USER MOD Single : A 42 GLN : amide:sc= -0.725 K(o=-0.73,f=-1.4) USER MOD Single : A 46 TYR OH : rot 0:sc= -1.26 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.998 USER MOD Single : A 52 ASN : amide:sc= -8.01! C(o=-8!,f=-16!) USER MOD Single : A 54 ASN : amide:sc= 0.31 X(o=0.31,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0.73 (180deg=0.73) USER MOD Single : A 63 THR OG1 : rot -120:sc= -1.14 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0394 K(o=-0.039,f=-1.4!) USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= -0.103 (180deg=-0.625) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0563) USER MOD Single : A 74 TYR OH : rot 150:sc= -0.76 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0614 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 174:sc= -11.5! (180deg=-11.8!) USER MOD Single : A 100 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000597) USER MOD Single : A 102 THR OG1 : rot 10:sc= -1.8! USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.449 0.889 -0.133 1.00 73.12 N ATOM 2 CA GLY A 1 1.997 0.898 -1.479 1.00 23.12 C ATOM 3 C GLY A 1 2.274 -0.526 -1.968 1.00 15.10 C ATOM 4 O GLY A 1 3.395 -0.845 -2.358 1.00 23.01 O ATOM 0 H1 GLY A 1 1.270 1.866 0.175 1.00 73.12 H new ATOM 0 H2 GLY A 1 0.557 0.354 -0.125 1.00 73.12 H new ATOM 0 H3 GLY A 1 2.127 0.440 0.515 1.00 73.12 H new ATOM 0 HA2 GLY A 1 1.299 1.390 -2.156 1.00 23.12 H new ATOM 0 HA3 GLY A 1 2.920 1.478 -1.496 1.00 23.12 H new ATOM 8 N ASP A 2 1.230 -1.342 -1.932 1.00 31.34 N ATOM 9 CA ASP A 2 1.346 -2.723 -2.366 1.00 62.51 C ATOM 10 C ASP A 2 1.711 -2.758 -3.852 1.00 14.32 C ATOM 11 O ASP A 2 0.981 -2.221 -4.686 1.00 25.10 O ATOM 12 CB ASP A 2 0.024 -3.470 -2.187 1.00 74.02 C ATOM 13 CG ASP A 2 -0.219 -4.028 -0.783 1.00 73.22 C ATOM 14 OD1 ASP A 2 -0.438 -5.236 -0.605 1.00 54.32 O ATOM 15 OD2 ASP A 2 -0.175 -3.155 0.166 1.00 63.02 O1- ATOM 0 H ASP A 2 0.301 -1.073 -1.609 1.00 31.34 H new ATOM 0 HA ASP A 2 2.116 -3.202 -1.761 1.00 62.51 H new ATOM 0 HB2 ASP A 2 -0.794 -2.796 -2.440 1.00 74.02 H new ATOM 0 HB3 ASP A 2 -0.010 -4.294 -2.900 1.00 74.02 H new ATOM 21 N VAL A 3 2.838 -3.392 -4.138 1.00 32.11 N ATOM 22 CA VAL A 3 3.307 -3.503 -5.509 1.00 21.23 C ATOM 23 C VAL A 3 2.545 -4.626 -6.215 1.00 32.03 C ATOM 24 O VAL A 3 2.230 -4.518 -7.399 1.00 72.34 O ATOM 25 CB VAL A 3 4.823 -3.705 -5.527 1.00 43.02 C ATOM 26 CG1 VAL A 3 5.535 -2.586 -4.767 1.00 11.15 C ATOM 27 CG2 VAL A 3 5.200 -5.077 -4.964 1.00 25.11 C ATOM 0 H VAL A 3 3.440 -3.834 -3.444 1.00 32.11 H new ATOM 0 HA VAL A 3 3.108 -2.582 -6.057 1.00 21.23 H new ATOM 0 HB VAL A 3 5.153 -3.666 -6.565 1.00 43.02 H new ATOM 0 HG11 VAL A 3 6.612 -2.755 -4.796 1.00 11.15 H new ATOM 0 HG12 VAL A 3 5.305 -1.627 -5.232 1.00 11.15 H new ATOM 0 HG13 VAL A 3 5.197 -2.577 -3.731 1.00 11.15 H new ATOM 0 HG21 VAL A 3 6.283 -5.195 -4.988 1.00 25.11 H new ATOM 0 HG22 VAL A 3 4.849 -5.157 -3.935 1.00 25.11 H new ATOM 0 HG23 VAL A 3 4.736 -5.858 -5.567 1.00 25.11 H new ATOM 37 N GLU A 4 2.272 -5.679 -5.459 1.00 73.22 N ATOM 38 CA GLU A 4 1.553 -6.821 -5.997 1.00 63.21 C ATOM 39 C GLU A 4 0.215 -6.375 -6.591 1.00 2.11 C ATOM 40 O GLU A 4 -0.031 -6.556 -7.782 1.00 24.52 O ATOM 41 CB GLU A 4 1.347 -7.894 -4.927 1.00 11.11 C ATOM 42 CG GLU A 4 1.040 -9.252 -5.562 1.00 4.20 C ATOM 43 CD GLU A 4 2.218 -9.740 -6.408 1.00 44.00 C ATOM 44 OE1 GLU A 4 2.051 -10.644 -7.241 1.00 12.45 O ATOM 45 OE2 GLU A 4 3.338 -9.145 -6.177 1.00 23.24 O1- ATOM 0 H GLU A 4 2.536 -5.765 -4.478 1.00 73.22 H new ATOM 0 HA GLU A 4 2.154 -7.260 -6.794 1.00 63.21 H new ATOM 0 HB2 GLU A 4 2.241 -7.972 -4.309 1.00 11.11 H new ATOM 0 HB3 GLU A 4 0.528 -7.603 -4.269 1.00 11.11 H new ATOM 0 HG2 GLU A 4 0.821 -9.981 -4.782 1.00 4.20 H new ATOM 0 HG3 GLU A 4 0.149 -9.173 -6.184 1.00 4.20 H new ATOM 53 N LYS A 5 -0.613 -5.799 -5.733 1.00 75.34 N ATOM 54 CA LYS A 5 -1.920 -5.325 -6.157 1.00 44.05 C ATOM 55 C LYS A 5 -1.747 -4.319 -7.297 1.00 71.23 C ATOM 56 O LYS A 5 -2.276 -4.517 -8.390 1.00 12.12 O ATOM 57 CB LYS A 5 -2.703 -4.774 -4.964 1.00 52.33 C ATOM 58 CG LYS A 5 -2.935 -5.860 -3.912 1.00 25.44 C ATOM 59 CD LYS A 5 -3.772 -7.007 -4.480 1.00 53.34 C ATOM 60 CE LYS A 5 -2.887 -8.191 -4.873 1.00 54.44 C ATOM 61 NZ LYS A 5 -2.725 -9.119 -3.732 1.00 55.34 N1+ ATOM 0 H LYS A 5 -0.405 -5.649 -4.746 1.00 75.34 H new ATOM 0 HA LYS A 5 -2.517 -6.150 -6.547 1.00 44.05 H new ATOM 0 HB2 LYS A 5 -2.157 -3.942 -4.519 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -3.661 -4.381 -5.304 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -1.976 -6.243 -3.563 1.00 25.44 H new ATOM 0 HG3 LYS A 5 -3.440 -5.431 -3.047 1.00 25.44 H new ATOM 0 HD2 LYS A 5 -4.506 -7.327 -3.740 1.00 53.34 H new ATOM 0 HD3 LYS A 5 -4.328 -6.659 -5.351 1.00 53.34 H new ATOM 0 HE2 LYS A 5 -3.329 -8.718 -5.718 1.00 54.44 H new ATOM 0 HE3 LYS A 5 -1.911 -7.831 -5.198 1.00 54.44 H new ATOM 0 HZ1 LYS A 5 -2.121 -9.917 -4.016 1.00 55.34 H new ATOM 0 HZ2 LYS A 5 -2.283 -8.617 -2.936 1.00 55.34 H new ATOM 0 HZ3 LYS A 5 -3.657 -9.477 -3.440 1.00 55.34 H new ATOM 74 N GLY A 6 -1.004 -3.262 -7.003 1.00 50.24 N ATOM 75 CA GLY A 6 -0.755 -2.225 -7.990 1.00 73.13 C ATOM 76 C GLY A 6 -0.296 -2.831 -9.318 1.00 54.42 C ATOM 77 O GLY A 6 -0.617 -2.310 -10.385 1.00 0.33 O ATOM 0 H GLY A 6 -0.567 -3.101 -6.096 1.00 50.24 H new ATOM 0 HA2 GLY A 6 -1.662 -1.642 -8.147 1.00 73.13 H new ATOM 0 HA3 GLY A 6 0.005 -1.538 -7.617 1.00 73.13 H new ATOM 81 N LYS A 7 0.448 -3.922 -9.209 1.00 72.11 N ATOM 82 CA LYS A 7 0.954 -4.604 -10.388 1.00 33.13 C ATOM 83 C LYS A 7 -0.214 -5.238 -11.145 1.00 72.23 C ATOM 84 O LYS A 7 -0.444 -4.927 -12.312 1.00 11.22 O ATOM 85 CB LYS A 7 2.050 -5.598 -10.002 1.00 21.32 C ATOM 86 CG LYS A 7 2.399 -6.513 -11.177 1.00 61.52 C ATOM 87 CD LYS A 7 3.791 -7.124 -11.003 1.00 32.11 C ATOM 88 CE LYS A 7 4.451 -7.382 -12.359 1.00 14.32 C ATOM 89 NZ LYS A 7 5.924 -7.342 -12.234 1.00 44.20 N1+ ATOM 0 H LYS A 7 0.713 -4.351 -8.322 1.00 72.11 H new ATOM 0 HA LYS A 7 1.426 -3.894 -11.067 1.00 33.13 H new ATOM 0 HB2 LYS A 7 2.940 -5.057 -9.681 1.00 21.32 H new ATOM 0 HB3 LYS A 7 1.719 -6.199 -9.155 1.00 21.32 H new ATOM 0 HG2 LYS A 7 1.657 -7.307 -11.257 1.00 61.52 H new ATOM 0 HG3 LYS A 7 2.361 -5.946 -12.107 1.00 61.52 H new ATOM 0 HD2 LYS A 7 4.415 -6.453 -10.413 1.00 32.11 H new ATOM 0 HD3 LYS A 7 3.715 -8.059 -10.448 1.00 32.11 H new ATOM 0 HE2 LYS A 7 4.139 -8.353 -12.743 1.00 14.32 H new ATOM 0 HE3 LYS A 7 4.121 -6.633 -13.079 1.00 14.32 H new ATOM 0 HZ1 LYS A 7 6.356 -7.519 -13.163 1.00 44.20 H new ATOM 0 HZ2 LYS A 7 6.218 -6.406 -11.888 1.00 44.20 H new ATOM 0 HZ3 LYS A 7 6.235 -8.073 -11.563 1.00 44.20 H new ATOM 102 N LYS A 8 -0.920 -6.118 -10.450 1.00 14.31 N ATOM 103 CA LYS A 8 -2.058 -6.800 -11.042 1.00 71.23 C ATOM 104 C LYS A 8 -2.942 -5.778 -11.760 1.00 33.24 C ATOM 105 O LYS A 8 -3.468 -6.054 -12.837 1.00 33.30 O ATOM 106 CB LYS A 8 -2.801 -7.621 -9.986 1.00 4.10 C ATOM 107 CG LYS A 8 -3.774 -8.604 -10.640 1.00 33.13 C ATOM 108 CD LYS A 8 -4.256 -9.650 -9.632 1.00 22.11 C ATOM 109 CE LYS A 8 -5.413 -9.109 -8.791 1.00 14.34 C ATOM 110 NZ LYS A 8 -5.869 -10.128 -7.819 1.00 11.43 N1+ ATOM 0 H LYS A 8 -0.726 -6.374 -9.482 1.00 14.31 H new ATOM 0 HA LYS A 8 -1.724 -7.517 -11.792 1.00 71.23 H new ATOM 0 HB2 LYS A 8 -2.083 -8.167 -9.374 1.00 4.10 H new ATOM 0 HB3 LYS A 8 -3.346 -6.954 -9.319 1.00 4.10 H new ATOM 0 HG2 LYS A 8 -4.629 -8.061 -11.043 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -3.286 -9.100 -11.479 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -4.575 -10.549 -10.160 1.00 22.11 H new ATOM 0 HD3 LYS A 8 -3.432 -9.939 -8.980 1.00 22.11 H new ATOM 0 HE2 LYS A 8 -5.097 -8.210 -8.262 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -6.240 -8.822 -9.441 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -6.655 -9.744 -7.256 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -6.190 -10.975 -8.329 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -5.083 -10.382 -7.187 1.00 11.43 H new ATOM 123 N ILE A 9 -3.079 -4.619 -11.134 1.00 15.44 N ATOM 124 CA ILE A 9 -3.890 -3.554 -11.699 1.00 60.11 C ATOM 125 C ILE A 9 -3.219 -3.027 -12.969 1.00 15.22 C ATOM 126 O ILE A 9 -3.765 -3.156 -14.063 1.00 74.43 O ATOM 127 CB ILE A 9 -4.161 -2.472 -10.652 1.00 1.54 C ATOM 128 CG1 ILE A 9 -4.691 -3.085 -9.353 1.00 64.24 C ATOM 129 CG2 ILE A 9 -5.099 -1.396 -11.203 1.00 30.43 C ATOM 130 CD1 ILE A 9 -4.284 -2.242 -8.143 1.00 25.42 C ATOM 0 H ILE A 9 -2.642 -4.394 -10.240 1.00 15.44 H new ATOM 0 HA ILE A 9 -4.869 -3.935 -11.990 1.00 60.11 H new ATOM 0 HB ILE A 9 -3.216 -1.983 -10.415 1.00 1.54 H new ATOM 0 HG12 ILE A 9 -5.777 -3.161 -9.399 1.00 64.24 H new ATOM 0 HG13 ILE A 9 -4.305 -4.098 -9.241 1.00 64.24 H new ATOM 0 HG21 ILE A 9 -5.274 -0.640 -10.438 1.00 30.43 H new ATOM 0 HG22 ILE A 9 -4.644 -0.929 -12.077 1.00 30.43 H new ATOM 0 HG23 ILE A 9 -6.048 -1.851 -11.487 1.00 30.43 H new ATOM 0 HD11 ILE A 9 -4.673 -2.699 -7.233 1.00 25.42 H new ATOM 0 HD12 ILE A 9 -3.197 -2.189 -8.086 1.00 25.42 H new ATOM 0 HD13 ILE A 9 -4.692 -1.236 -8.246 1.00 25.42 H new ATOM 142 N PHE A 10 -2.045 -2.443 -12.781 1.00 13.32 N ATOM 143 CA PHE A 10 -1.294 -1.895 -13.898 1.00 72.43 C ATOM 144 C PHE A 10 -1.122 -2.936 -15.006 1.00 75.11 C ATOM 145 O PHE A 10 -0.851 -2.587 -16.154 1.00 2.34 O ATOM 146 CB PHE A 10 0.085 -1.507 -13.361 1.00 70.22 C ATOM 147 CG PHE A 10 0.686 -0.268 -14.028 1.00 44.23 C ATOM 148 CD1 PHE A 10 1.350 -0.386 -15.210 1.00 11.20 C ATOM 149 CD2 PHE A 10 0.556 0.951 -13.440 1.00 42.21 C ATOM 150 CE1 PHE A 10 1.907 0.764 -15.828 1.00 43.23 C ATOM 151 CE2 PHE A 10 1.114 2.101 -14.059 1.00 53.34 C ATOM 152 CZ PHE A 10 1.777 1.983 -15.240 1.00 42.41 C ATOM 0 H PHE A 10 -1.595 -2.337 -11.872 1.00 13.32 H new ATOM 0 HA PHE A 10 -1.823 -1.040 -14.319 1.00 72.43 H new ATOM 0 HB2 PHE A 10 0.009 -1.329 -12.288 1.00 70.22 H new ATOM 0 HB3 PHE A 10 0.766 -2.347 -13.497 1.00 70.22 H new ATOM 0 HD1 PHE A 10 1.453 -1.354 -15.678 1.00 11.20 H new ATOM 0 HD2 PHE A 10 0.028 1.045 -12.502 1.00 42.21 H new ATOM 0 HE1 PHE A 10 2.434 0.671 -16.766 1.00 43.23 H new ATOM 0 HE2 PHE A 10 1.012 3.069 -13.592 1.00 53.34 H new ATOM 0 HZ PHE A 10 2.200 2.858 -15.711 1.00 42.41 H new ATOM 162 N ILE A 11 -1.289 -4.194 -14.623 1.00 62.12 N ATOM 163 CA ILE A 11 -1.157 -5.288 -15.571 1.00 45.21 C ATOM 164 C ILE A 11 -2.410 -5.353 -16.446 1.00 24.11 C ATOM 165 O ILE A 11 -2.330 -5.690 -17.627 1.00 4.32 O ATOM 166 CB ILE A 11 -0.848 -6.595 -14.839 1.00 64.23 C ATOM 167 CG1 ILE A 11 0.632 -6.675 -14.460 1.00 24.22 C ATOM 168 CG2 ILE A 11 -1.294 -7.804 -15.665 1.00 33.21 C ATOM 169 CD1 ILE A 11 0.890 -7.840 -13.500 1.00 43.25 C ATOM 0 H ILE A 11 -1.514 -4.480 -13.670 1.00 62.12 H new ATOM 0 HA ILE A 11 -0.312 -5.116 -16.238 1.00 45.21 H new ATOM 0 HB ILE A 11 -1.419 -6.610 -13.911 1.00 64.23 H new ATOM 0 HG12 ILE A 11 1.235 -6.800 -15.359 1.00 24.22 H new ATOM 0 HG13 ILE A 11 0.943 -5.740 -13.995 1.00 24.22 H new ATOM 0 HG21 ILE A 11 -1.063 -8.721 -15.122 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -2.368 -7.748 -15.842 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -0.769 -7.806 -16.620 1.00 33.21 H new ATOM 0 HD11 ILE A 11 1.950 -7.875 -13.246 1.00 43.25 H new ATOM 0 HD12 ILE A 11 0.304 -7.700 -12.592 1.00 43.25 H new ATOM 0 HD13 ILE A 11 0.601 -8.776 -13.978 1.00 43.25 H new ATOM 181 N MET A 12 -3.538 -5.027 -15.834 1.00 20.04 N ATOM 182 CA MET A 12 -4.806 -5.045 -16.543 1.00 73.11 C ATOM 183 C MET A 12 -5.494 -3.680 -16.471 1.00 2.53 C ATOM 184 O MET A 12 -6.719 -3.593 -16.539 1.00 61.15 O ATOM 185 CB MET A 12 -5.719 -6.109 -15.930 1.00 10.44 C ATOM 186 CG MET A 12 -6.230 -5.668 -14.557 1.00 20.33 C ATOM 187 SD MET A 12 -7.451 -6.825 -13.960 1.00 23.32 S ATOM 188 CE MET A 12 -8.845 -6.354 -14.969 1.00 74.43 C ATOM 0 H MET A 12 -3.601 -4.749 -14.855 1.00 20.04 H new ATOM 0 HA MET A 12 -4.612 -5.279 -17.590 1.00 73.11 H new ATOM 0 HB2 MET A 12 -6.563 -6.295 -16.594 1.00 10.44 H new ATOM 0 HB3 MET A 12 -5.175 -7.049 -15.835 1.00 10.44 H new ATOM 0 HG2 MET A 12 -5.400 -5.607 -13.853 1.00 20.33 H new ATOM 0 HG3 MET A 12 -6.664 -4.671 -14.625 1.00 20.33 H new ATOM 0 HE1 MET A 12 -9.735 -6.275 -14.345 1.00 74.43 H new ATOM 0 HE2 MET A 12 -8.645 -5.392 -15.440 1.00 74.43 H new ATOM 0 HE3 MET A 12 -9.008 -7.108 -15.739 1.00 74.43 H new ATOM 198 N LYS A 13 -4.676 -2.647 -16.334 1.00 3.23 N ATOM 199 CA LYS A 13 -5.189 -1.290 -16.252 1.00 42.12 C ATOM 200 C LYS A 13 -4.516 -0.430 -17.324 1.00 34.24 C ATOM 201 O LYS A 13 -5.112 -0.148 -18.362 1.00 23.10 O ATOM 202 CB LYS A 13 -5.030 -0.742 -14.833 1.00 13.54 C ATOM 203 CG LYS A 13 -5.873 0.520 -14.635 1.00 61.54 C ATOM 204 CD LYS A 13 -7.277 0.168 -14.140 1.00 54.44 C ATOM 205 CE LYS A 13 -8.158 -0.318 -15.292 1.00 54.34 C ATOM 206 NZ LYS A 13 -9.580 -0.002 -15.027 1.00 20.13 N1+ ATOM 0 H LYS A 13 -3.660 -2.723 -16.278 1.00 3.23 H new ATOM 0 HA LYS A 13 -6.260 -1.274 -16.456 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -5.330 -1.501 -14.110 1.00 13.54 H new ATOM 0 HB3 LYS A 13 -3.981 -0.517 -14.642 1.00 13.54 H new ATOM 0 HG2 LYS A 13 -5.385 1.179 -13.917 1.00 61.54 H new ATOM 0 HG3 LYS A 13 -5.941 1.067 -15.575 1.00 61.54 H new ATOM 0 HD2 LYS A 13 -7.213 -0.605 -13.375 1.00 54.44 H new ATOM 0 HD3 LYS A 13 -7.732 1.042 -13.673 1.00 54.44 H new ATOM 0 HE2 LYS A 13 -7.842 0.153 -16.223 1.00 54.34 H new ATOM 0 HE3 LYS A 13 -8.036 -1.393 -15.422 1.00 54.34 H new ATOM 0 HZ1 LYS A 13 -10.164 -0.339 -15.819 1.00 20.13 H new ATOM 0 HZ2 LYS A 13 -9.882 -0.472 -14.150 1.00 20.13 H new ATOM 0 HZ3 LYS A 13 -9.694 1.027 -14.926 1.00 20.13 H new ATOM 219 N CYS A 14 -3.285 -0.036 -17.034 1.00 0.42 N ATOM 220 CA CYS A 14 -2.525 0.788 -17.959 1.00 73.31 C ATOM 221 C CYS A 14 -1.833 -0.134 -18.965 1.00 61.22 C ATOM 222 O CYS A 14 -1.788 0.164 -20.157 1.00 3.21 O ATOM 223 CB CYS A 14 -1.527 1.687 -17.228 1.00 23.12 C ATOM 224 SG CYS A 14 -2.109 2.327 -15.615 1.00 24.50 S ATOM 0 H CYS A 14 -2.795 -0.272 -16.171 1.00 0.42 H new ATOM 0 HA CYS A 14 -3.199 1.462 -18.488 1.00 73.31 H new ATOM 0 HB2 CYS A 14 -0.604 1.128 -17.070 1.00 23.12 H new ATOM 0 HB3 CYS A 14 -1.282 2.532 -17.871 1.00 23.12 H new ATOM 0 HG CYS A 14 -1.161 2.209 -14.734 1.00 24.50 H new ATOM 229 N SER A 15 -1.311 -1.236 -18.447 1.00 53.01 N ATOM 230 CA SER A 15 -0.623 -2.204 -19.284 1.00 44.23 C ATOM 231 C SER A 15 -1.361 -2.361 -20.616 1.00 0.15 C ATOM 232 O SER A 15 -0.739 -2.608 -21.649 1.00 13.43 O ATOM 233 CB SER A 15 -0.505 -3.557 -18.580 1.00 10.33 C ATOM 234 OG SER A 15 -0.344 -4.629 -19.505 1.00 53.25 O ATOM 0 H SER A 15 -1.351 -1.480 -17.457 1.00 53.01 H new ATOM 0 HA SER A 15 0.385 -1.836 -19.475 1.00 44.23 H new ATOM 0 HB2 SER A 15 0.344 -3.537 -17.897 1.00 10.33 H new ATOM 0 HB3 SER A 15 -1.396 -3.730 -17.976 1.00 10.33 H new ATOM 0 HG SER A 15 -0.924 -5.375 -19.245 1.00 53.25 H new ATOM 240 N GLN A 16 -2.675 -2.213 -20.548 1.00 52.31 N ATOM 241 CA GLN A 16 -3.504 -2.335 -21.736 1.00 24.53 C ATOM 242 C GLN A 16 -2.825 -1.661 -22.929 1.00 24.04 C ATOM 243 O GLN A 16 -2.702 -2.258 -23.997 1.00 52.22 O ATOM 244 CB GLN A 16 -4.896 -1.750 -21.495 1.00 34.30 C ATOM 245 CG GLN A 16 -5.724 -1.755 -22.781 1.00 64.14 C ATOM 246 CD GLN A 16 -5.622 -3.105 -23.494 1.00 25.22 C ATOM 247 OE1 GLN A 16 -5.020 -3.049 -24.678 1.00 33.12 O flip ATOM 248 NE2 GLN A 16 -6.060 -4.132 -23.001 1.00 5.30 N flip ATOM 0 H GLN A 16 -3.187 -2.010 -19.689 1.00 52.31 H new ATOM 0 HA GLN A 16 -3.625 -3.394 -21.963 1.00 24.53 H new ATOM 0 HB2 GLN A 16 -5.409 -2.328 -20.726 1.00 34.30 H new ATOM 0 HB3 GLN A 16 -4.806 -0.730 -21.121 1.00 34.30 H new ATOM 0 HG2 GLN A 16 -6.767 -1.541 -22.547 1.00 64.14 H new ATOM 0 HG3 GLN A 16 -5.377 -0.962 -23.444 1.00 64.14 H new ATOM 0 HE21 GLN A 16 -6.512 -4.107 -22.087 1.00 5.30 H new ATOM 0 HE22 GLN A 16 -5.974 -5.016 -23.503 1.00 5.30 H new ATOM 257 N CYS A 17 -2.402 -0.425 -22.708 1.00 3.32 N ATOM 258 CA CYS A 17 -1.738 0.337 -23.752 1.00 24.21 C ATOM 259 C CYS A 17 -0.273 0.528 -23.351 1.00 61.52 C ATOM 260 O CYS A 17 0.632 0.147 -24.092 1.00 14.11 O ATOM 261 CB CYS A 17 -2.438 1.673 -24.009 1.00 30.04 C ATOM 262 SG CYS A 17 -4.215 1.705 -23.571 1.00 4.14 S ATOM 0 H CYS A 17 -2.506 0.068 -21.821 1.00 3.32 H new ATOM 0 HA CYS A 17 -1.787 -0.211 -24.693 1.00 24.21 H new ATOM 0 HB2 CYS A 17 -1.925 2.451 -23.444 1.00 30.04 H new ATOM 0 HB3 CYS A 17 -2.334 1.925 -25.064 1.00 30.04 H new ATOM 0 HG CYS A 17 -4.704 2.882 -23.827 1.00 4.14 H new ATOM 267 N HIS A 18 -0.086 1.117 -22.179 1.00 62.50 N ATOM 268 CA HIS A 18 1.252 1.362 -21.670 1.00 4.04 C ATOM 269 C HIS A 18 2.033 0.047 -21.623 1.00 22.22 C ATOM 270 O HIS A 18 1.469 -1.022 -21.848 1.00 62.34 O ATOM 271 CB HIS A 18 1.197 2.067 -20.313 1.00 40.31 C ATOM 272 CG HIS A 18 0.749 3.507 -20.388 1.00 54.33 C ATOM 273 ND1 HIS A 18 1.549 4.517 -20.894 1.00 50.21 N ATOM 274 CD2 HIS A 18 -0.425 4.096 -20.016 1.00 25.02 C ATOM 275 CE1 HIS A 18 0.878 5.658 -20.824 1.00 64.43 C ATOM 276 NE2 HIS A 18 -0.344 5.394 -20.280 1.00 53.31 N ATOM 0 H HIS A 18 -0.839 1.432 -21.567 1.00 62.50 H new ATOM 0 HA HIS A 18 1.782 2.036 -22.343 1.00 4.04 H new ATOM 0 HB2 HIS A 18 0.519 1.520 -19.658 1.00 40.31 H new ATOM 0 HB3 HIS A 18 2.185 2.028 -19.854 1.00 40.31 H new ATOM 0 HD1 HIS A 18 2.495 4.403 -21.259 1.00 50.21 H new ATOM 0 HD2 HIS A 18 -1.275 3.591 -19.581 1.00 25.02 H new ATOM 0 HE1 HIS A 18 1.236 6.626 -21.142 1.00 64.43 H new ATOM 284 N THR A 19 3.319 0.169 -21.329 1.00 13.43 N ATOM 285 CA THR A 19 4.183 -0.996 -21.249 1.00 60.21 C ATOM 286 C THR A 19 5.418 -0.688 -20.401 1.00 32.10 C ATOM 287 O THR A 19 6.307 0.043 -20.835 1.00 32.41 O ATOM 288 CB THR A 19 4.521 -1.433 -22.676 1.00 74.25 C ATOM 289 OG1 THR A 19 4.703 -0.208 -23.381 1.00 32.15 O ATOM 290 CG2 THR A 19 3.334 -2.094 -23.382 1.00 61.22 C ATOM 0 H THR A 19 3.784 1.058 -21.143 1.00 13.43 H new ATOM 0 HA THR A 19 3.682 -1.825 -20.749 1.00 60.21 H new ATOM 0 HB THR A 19 5.363 -2.125 -22.653 1.00 74.25 H new ATOM 0 HG1 THR A 19 5.362 0.345 -22.912 1.00 32.15 H new ATOM 0 HG21 THR A 19 3.627 -2.385 -24.391 1.00 61.22 H new ATOM 0 HG22 THR A 19 3.025 -2.978 -22.824 1.00 61.22 H new ATOM 0 HG23 THR A 19 2.504 -1.390 -23.434 1.00 61.22 H new ATOM 298 N VAL A 20 5.434 -1.260 -19.206 1.00 73.30 N ATOM 299 CA VAL A 20 6.545 -1.055 -18.293 1.00 62.41 C ATOM 300 C VAL A 20 7.627 -2.101 -18.570 1.00 42.31 C ATOM 301 O VAL A 20 8.072 -2.796 -17.659 1.00 23.32 O ATOM 302 CB VAL A 20 6.046 -1.083 -16.846 1.00 73.02 C ATOM 303 CG1 VAL A 20 4.787 -0.227 -16.685 1.00 11.15 C ATOM 304 CG2 VAL A 20 5.797 -2.518 -16.379 1.00 54.03 C ATOM 0 H VAL A 20 4.695 -1.866 -18.849 1.00 73.30 H new ATOM 0 HA VAL A 20 6.992 -0.073 -18.451 1.00 62.41 H new ATOM 0 HB VAL A 20 6.825 -0.657 -16.214 1.00 73.02 H new ATOM 0 HG11 VAL A 20 4.452 -0.263 -15.648 1.00 11.15 H new ATOM 0 HG12 VAL A 20 5.011 0.804 -16.958 1.00 11.15 H new ATOM 0 HG13 VAL A 20 4.000 -0.612 -17.334 1.00 11.15 H new ATOM 0 HG21 VAL A 20 5.443 -2.509 -15.348 1.00 54.03 H new ATOM 0 HG22 VAL A 20 5.045 -2.983 -17.017 1.00 54.03 H new ATOM 0 HG23 VAL A 20 6.725 -3.086 -16.439 1.00 54.03 H new ATOM 314 N GLU A 21 8.019 -2.179 -19.834 1.00 2.20 N ATOM 315 CA GLU A 21 9.040 -3.127 -20.244 1.00 22.52 C ATOM 316 C GLU A 21 10.166 -2.407 -20.990 1.00 34.35 C ATOM 317 O GLU A 21 9.916 -1.708 -21.970 1.00 52.54 O ATOM 318 CB GLU A 21 8.441 -4.242 -21.101 1.00 61.35 C ATOM 319 CG GLU A 21 7.456 -3.677 -22.128 1.00 1.24 C ATOM 320 CD GLU A 21 7.232 -4.664 -23.274 1.00 73.45 C ATOM 321 OE1 GLU A 21 7.822 -4.506 -24.353 1.00 31.11 O ATOM 322 OE2 GLU A 21 6.411 -5.624 -23.014 1.00 44.15 O1- ATOM 0 H GLU A 21 7.647 -1.601 -20.587 1.00 2.20 H new ATOM 0 HA GLU A 21 9.460 -3.587 -19.349 1.00 22.52 H new ATOM 0 HB2 GLU A 21 9.239 -4.779 -21.614 1.00 61.35 H new ATOM 0 HB3 GLU A 21 7.931 -4.963 -20.462 1.00 61.35 H new ATOM 0 HG2 GLU A 21 6.505 -3.457 -21.642 1.00 1.24 H new ATOM 0 HG3 GLU A 21 7.838 -2.736 -22.524 1.00 1.24 H new ATOM 330 N LYS A 22 11.380 -2.602 -20.497 1.00 34.22 N ATOM 331 CA LYS A 22 12.543 -1.980 -21.103 1.00 44.40 C ATOM 332 C LYS A 22 12.410 -2.037 -22.627 1.00 4.32 C ATOM 333 O LYS A 22 12.423 -3.118 -23.214 1.00 2.32 O ATOM 334 CB LYS A 22 13.830 -2.616 -20.574 1.00 74.13 C ATOM 335 CG LYS A 22 15.064 -1.897 -21.122 1.00 50.22 C ATOM 336 CD LYS A 22 16.250 -2.038 -20.166 1.00 63.22 C ATOM 337 CE LYS A 22 17.280 -0.932 -20.404 1.00 63.42 C ATOM 338 NZ LYS A 22 17.870 -1.056 -21.755 1.00 43.00 N1+ ATOM 0 H LYS A 22 11.583 -3.183 -19.684 1.00 34.22 H new ATOM 0 HA LYS A 22 12.599 -0.927 -20.826 1.00 44.40 H new ATOM 0 HB2 LYS A 22 13.837 -2.578 -19.485 1.00 74.13 H new ATOM 0 HB3 LYS A 22 13.863 -3.668 -20.857 1.00 74.13 H new ATOM 0 HG2 LYS A 22 15.327 -2.309 -22.096 1.00 50.22 H new ATOM 0 HG3 LYS A 22 14.837 -0.842 -21.273 1.00 50.22 H new ATOM 0 HD2 LYS A 22 15.898 -1.996 -19.135 1.00 63.22 H new ATOM 0 HD3 LYS A 22 16.719 -3.012 -20.304 1.00 63.22 H new ATOM 0 HE2 LYS A 22 16.806 0.044 -20.296 1.00 63.42 H new ATOM 0 HE3 LYS A 22 18.066 -0.990 -19.651 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 18.626 -0.351 -21.870 1.00 43.00 H new ATOM 0 HZ2 LYS A 22 18.265 -2.011 -21.875 1.00 43.00 H new ATOM 0 HZ3 LYS A 22 17.134 -0.893 -22.472 1.00 43.00 H new ATOM 351 N GLY A 23 12.286 -0.861 -23.223 1.00 52.14 N ATOM 352 CA GLY A 23 12.151 -0.764 -24.667 1.00 30.32 C ATOM 353 C GLY A 23 10.758 -1.209 -25.118 1.00 2.14 C ATOM 354 O GLY A 23 10.625 -1.964 -26.080 1.00 23.14 O ATOM 0 H GLY A 23 12.276 0.033 -22.733 1.00 52.14 H new ATOM 0 HA2 GLY A 23 12.329 0.263 -24.984 1.00 30.32 H new ATOM 0 HA3 GLY A 23 12.908 -1.382 -25.149 1.00 30.32 H new ATOM 358 N GLY A 24 9.755 -0.722 -24.403 1.00 32.53 N ATOM 359 CA GLY A 24 8.378 -1.061 -24.718 1.00 33.34 C ATOM 360 C GLY A 24 8.017 -0.621 -26.138 1.00 72.53 C ATOM 361 O GLY A 24 8.898 -0.342 -26.948 1.00 13.20 O ATOM 0 H GLY A 24 9.868 -0.095 -23.606 1.00 32.53 H new ATOM 0 HA2 GLY A 24 8.233 -2.137 -24.619 1.00 33.34 H new ATOM 0 HA3 GLY A 24 7.709 -0.581 -24.004 1.00 33.34 H new ATOM 365 N LYS A 25 6.718 -0.576 -26.396 1.00 11.42 N ATOM 366 CA LYS A 25 6.228 -0.175 -27.705 1.00 2.02 C ATOM 367 C LYS A 25 5.468 1.147 -27.578 1.00 31.52 C ATOM 368 O LYS A 25 4.969 1.479 -26.503 1.00 72.44 O ATOM 369 CB LYS A 25 5.406 -1.300 -28.336 1.00 24.30 C ATOM 370 CG LYS A 25 6.159 -2.630 -28.274 1.00 22.43 C ATOM 371 CD LYS A 25 6.949 -2.876 -29.562 1.00 53.42 C ATOM 372 CE LYS A 25 6.037 -3.406 -30.671 1.00 11.53 C ATOM 373 NZ LYS A 25 6.742 -3.392 -31.972 1.00 63.31 N1+ ATOM 0 H LYS A 25 5.990 -0.810 -25.721 1.00 11.42 H new ATOM 0 HA LYS A 25 7.060 0.001 -28.386 1.00 2.02 H new ATOM 0 HB2 LYS A 25 4.452 -1.393 -27.817 1.00 24.30 H new ATOM 0 HB3 LYS A 25 5.181 -1.053 -29.374 1.00 24.30 H new ATOM 0 HG2 LYS A 25 6.838 -2.627 -27.422 1.00 22.43 H new ATOM 0 HG3 LYS A 25 5.452 -3.445 -28.116 1.00 22.43 H new ATOM 0 HD2 LYS A 25 7.421 -1.949 -29.886 1.00 53.42 H new ATOM 0 HD3 LYS A 25 7.749 -3.591 -29.371 1.00 53.42 H new ATOM 0 HE2 LYS A 25 5.719 -4.421 -30.434 1.00 11.53 H new ATOM 0 HE3 LYS A 25 5.136 -2.795 -30.732 1.00 11.53 H new ATOM 0 HZ1 LYS A 25 6.109 -3.755 -32.714 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 7.024 -2.418 -32.203 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 7.589 -3.993 -31.915 1.00 63.31 H new ATOM 386 N HIS A 26 5.402 1.864 -28.689 1.00 25.51 N ATOM 387 CA HIS A 26 4.711 3.142 -28.716 1.00 74.44 C ATOM 388 C HIS A 26 3.254 2.928 -29.135 1.00 45.22 C ATOM 389 O HIS A 26 2.673 3.766 -29.823 1.00 2.22 O ATOM 390 CB HIS A 26 5.446 4.139 -29.613 1.00 11.11 C ATOM 391 CG HIS A 26 6.745 4.645 -29.033 1.00 12.42 C ATOM 392 ND1 HIS A 26 6.937 4.830 -27.674 1.00 62.23 N ATOM 393 CD2 HIS A 26 7.913 5.001 -29.639 1.00 45.21 C ATOM 394 CE1 HIS A 26 8.170 5.279 -27.484 1.00 75.04 C ATOM 395 NE2 HIS A 26 8.772 5.385 -28.702 1.00 43.14 N ATOM 0 H HIS A 26 5.816 1.584 -29.578 1.00 25.51 H new ATOM 0 HA HIS A 26 4.706 3.578 -27.717 1.00 74.44 H new ATOM 0 HB2 HIS A 26 5.649 3.666 -30.574 1.00 11.11 H new ATOM 0 HB3 HIS A 26 4.791 4.989 -29.807 1.00 11.11 H new ATOM 0 HD2 HIS A 26 8.107 4.975 -30.701 1.00 45.21 H new ATOM 0 HE1 HIS A 26 8.619 5.519 -26.531 1.00 75.04 H new ATOM 0 HE2 HIS A 26 9.726 5.707 -28.867 1.00 43.14 H new ATOM 403 N LYS A 27 2.707 1.801 -28.704 1.00 44.03 N ATOM 404 CA LYS A 27 1.331 1.466 -29.027 1.00 53.42 C ATOM 405 C LYS A 27 0.407 2.566 -28.501 1.00 34.44 C ATOM 406 O LYS A 27 0.861 3.665 -28.184 1.00 33.44 O ATOM 407 CB LYS A 27 0.983 0.070 -28.508 1.00 74.10 C ATOM 408 CG LYS A 27 1.950 -0.978 -29.062 1.00 42.43 C ATOM 409 CD LYS A 27 1.555 -1.392 -30.481 1.00 54.03 C ATOM 410 CE LYS A 27 0.283 -2.242 -30.471 1.00 14.52 C ATOM 411 NZ LYS A 27 0.620 -3.681 -30.549 1.00 5.14 N1+ ATOM 0 H LYS A 27 3.192 1.108 -28.134 1.00 44.03 H new ATOM 0 HA LYS A 27 1.193 1.422 -30.107 1.00 53.42 H new ATOM 0 HB2 LYS A 27 1.019 0.064 -27.419 1.00 74.10 H new ATOM 0 HB3 LYS A 27 -0.038 -0.184 -28.794 1.00 74.10 H new ATOM 0 HG2 LYS A 27 2.964 -0.577 -29.065 1.00 42.43 H new ATOM 0 HG3 LYS A 27 1.955 -1.853 -28.412 1.00 42.43 H new ATOM 0 HD2 LYS A 27 1.398 -0.503 -31.092 1.00 54.03 H new ATOM 0 HD3 LYS A 27 2.369 -1.954 -30.939 1.00 54.03 H new ATOM 0 HE2 LYS A 27 -0.286 -2.045 -29.563 1.00 14.52 H new ATOM 0 HE3 LYS A 27 -0.353 -1.965 -31.312 1.00 14.52 H new ATOM 0 HZ1 LYS A 27 -0.255 -4.243 -30.541 1.00 5.14 H new ATOM 0 HZ2 LYS A 27 1.144 -3.868 -31.428 1.00 5.14 H new ATOM 0 HZ3 LYS A 27 1.208 -3.945 -29.733 1.00 5.14 H new ATOM 424 N THR A 28 -0.873 2.233 -28.423 1.00 74.51 N ATOM 425 CA THR A 28 -1.866 3.178 -27.940 1.00 2.42 C ATOM 426 C THR A 28 -1.297 4.003 -26.784 1.00 41.14 C ATOM 427 O THR A 28 -1.679 5.157 -26.594 1.00 32.05 O ATOM 428 CB THR A 28 -3.124 2.393 -27.566 1.00 52.12 C ATOM 429 OG1 THR A 28 -3.708 2.055 -28.821 1.00 43.31 O ATOM 430 CG2 THR A 28 -4.180 3.269 -26.888 1.00 32.01 C ATOM 0 H THR A 28 -1.246 1.321 -28.686 1.00 74.51 H new ATOM 0 HA THR A 28 -2.135 3.899 -28.712 1.00 2.42 H new ATOM 0 HB THR A 28 -2.855 1.570 -26.904 1.00 52.12 H new ATOM 0 HG1 THR A 28 -4.530 1.542 -28.672 1.00 43.31 H new ATOM 0 HG21 THR A 28 -5.053 2.663 -26.643 1.00 32.01 H new ATOM 0 HG22 THR A 28 -3.767 3.696 -25.974 1.00 32.01 H new ATOM 0 HG23 THR A 28 -4.474 4.073 -27.563 1.00 32.01 H new ATOM 438 N GLY A 29 -0.394 3.380 -26.042 1.00 64.54 N ATOM 439 CA GLY A 29 0.231 4.041 -24.909 1.00 55.30 C ATOM 440 C GLY A 29 1.754 3.934 -24.984 1.00 1.42 C ATOM 441 O GLY A 29 2.289 2.901 -25.383 1.00 41.14 O ATOM 0 H GLY A 29 -0.080 2.423 -26.203 1.00 64.54 H new ATOM 0 HA2 GLY A 29 -0.063 5.090 -24.888 1.00 55.30 H new ATOM 0 HA3 GLY A 29 -0.123 3.592 -23.981 1.00 55.30 H new ATOM 445 N PRO A 30 2.430 5.045 -24.582 1.00 74.54 N ATOM 446 CA PRO A 30 3.882 5.085 -24.599 1.00 74.11 C ATOM 447 C PRO A 30 4.466 4.270 -23.444 1.00 24.32 C ATOM 448 O PRO A 30 3.740 3.853 -22.543 1.00 24.23 O ATOM 449 CB PRO A 30 4.235 6.561 -24.522 1.00 41.30 C ATOM 450 CG PRO A 30 2.991 7.261 -23.998 1.00 54.01 C ATOM 451 CD PRO A 30 1.830 6.286 -24.102 1.00 12.13 C ATOM 0 HA PRO A 30 4.305 4.634 -25.497 1.00 74.11 H new ATOM 0 HB2 PRO A 30 5.084 6.725 -23.859 1.00 41.30 H new ATOM 0 HB3 PRO A 30 4.517 6.947 -25.502 1.00 41.30 H new ATOM 0 HG2 PRO A 30 3.136 7.574 -22.964 1.00 54.01 H new ATOM 0 HG3 PRO A 30 2.787 8.161 -24.577 1.00 54.01 H new ATOM 0 HD2 PRO A 30 1.345 6.144 -23.136 1.00 12.13 H new ATOM 0 HD3 PRO A 30 1.068 6.650 -24.791 1.00 12.13 H new ATOM 459 N ASN A 31 5.774 4.066 -23.509 1.00 21.33 N ATOM 460 CA ASN A 31 6.466 3.308 -22.481 1.00 33.24 C ATOM 461 C ASN A 31 6.474 4.112 -21.179 1.00 11.33 C ATOM 462 O ASN A 31 6.581 5.338 -21.203 1.00 70.42 O ATOM 463 CB ASN A 31 7.917 3.036 -22.877 1.00 44.34 C ATOM 464 CG ASN A 31 8.662 2.299 -21.763 1.00 45.33 C ATOM 465 OD1 ASN A 31 9.379 2.884 -20.968 1.00 35.40 O ATOM 466 ND2 ASN A 31 8.455 0.985 -21.751 1.00 71.13 N ATOM 0 H ASN A 31 6.373 4.413 -24.258 1.00 21.33 H new ATOM 0 HA ASN A 31 5.944 2.359 -22.355 1.00 33.24 H new ATOM 0 HB2 ASN A 31 7.943 2.442 -23.791 1.00 44.34 H new ATOM 0 HB3 ASN A 31 8.421 3.978 -23.094 1.00 44.34 H new ATOM 0 HD21 ASN A 31 8.909 0.404 -21.047 1.00 71.13 H new ATOM 0 HD22 ASN A 31 7.842 0.559 -22.446 1.00 71.13 H new ATOM 473 N LEU A 32 6.359 3.391 -20.074 1.00 25.52 N ATOM 474 CA LEU A 32 6.352 4.021 -18.765 1.00 3.12 C ATOM 475 C LEU A 32 7.598 3.588 -17.988 1.00 43.31 C ATOM 476 O LEU A 32 7.853 4.085 -16.892 1.00 21.41 O ATOM 477 CB LEU A 32 5.040 3.728 -18.035 1.00 53.22 C ATOM 478 CG LEU A 32 3.766 4.230 -18.719 1.00 2.33 C ATOM 479 CD1 LEU A 32 2.540 3.987 -17.838 1.00 33.31 C ATOM 480 CD2 LEU A 32 3.902 5.702 -19.117 1.00 64.04 C ATOM 0 H LEU A 32 6.270 2.375 -20.058 1.00 25.52 H new ATOM 0 HA LEU A 32 6.399 5.105 -18.865 1.00 3.12 H new ATOM 0 HB2 LEU A 32 4.955 2.650 -17.900 1.00 53.22 H new ATOM 0 HB3 LEU A 32 5.094 4.171 -17.041 1.00 53.22 H new ATOM 0 HG LEU A 32 3.622 3.659 -19.636 1.00 2.33 H new ATOM 0 HD11 LEU A 32 1.648 4.353 -18.347 1.00 33.31 H new ATOM 0 HD12 LEU A 32 2.436 2.919 -17.646 1.00 33.31 H new ATOM 0 HD13 LEU A 32 2.661 4.516 -16.893 1.00 33.31 H new ATOM 0 HD21 LEU A 32 2.984 6.034 -19.601 1.00 64.04 H new ATOM 0 HD22 LEU A 32 4.082 6.305 -18.227 1.00 64.04 H new ATOM 0 HD23 LEU A 32 4.738 5.817 -19.807 1.00 64.04 H new ATOM 492 N HIS A 33 8.339 2.668 -18.587 1.00 23.30 N ATOM 493 CA HIS A 33 9.552 2.163 -17.964 1.00 74.15 C ATOM 494 C HIS A 33 10.610 3.267 -17.932 1.00 20.01 C ATOM 495 O HIS A 33 11.584 3.220 -18.682 1.00 41.10 O ATOM 496 CB HIS A 33 10.037 0.896 -18.672 1.00 31.34 C ATOM 497 CG HIS A 33 10.943 0.031 -17.828 1.00 51.32 C ATOM 498 ND1 HIS A 33 10.669 -1.056 -17.053 1.00 11.24 N flip ATOM 499 CD2 HIS A 33 12.305 0.253 -17.721 1.00 72.42 C flip ATOM 500 CE1 HIS A 33 11.801 -1.478 -16.503 1.00 33.45 C flip ATOM 501 NE2 HIS A 33 12.817 -0.666 -16.916 1.00 33.01 N flip ATOM 0 H HIS A 33 8.124 2.259 -19.496 1.00 23.30 H new ATOM 0 HA HIS A 33 9.345 1.877 -16.933 1.00 74.15 H new ATOM 0 HB2 HIS A 33 9.171 0.308 -18.977 1.00 31.34 H new ATOM 0 HB3 HIS A 33 10.566 1.180 -19.582 1.00 31.34 H new ATOM 0 HD1 HIS A 33 9.749 -1.475 -16.918 1.00 11.24 H new ATOM 0 HD2 HIS A 33 12.857 1.042 -18.211 1.00 72.42 H new ATOM 0 HE1 HIS A 33 11.901 -2.324 -15.839 1.00 33.45 H new ATOM 509 N GLY A 34 10.383 4.234 -17.056 1.00 13.14 N ATOM 510 CA GLY A 34 11.305 5.349 -16.916 1.00 20.04 C ATOM 511 C GLY A 34 10.621 6.674 -17.260 1.00 32.42 C ATOM 512 O GLY A 34 11.154 7.469 -18.031 1.00 44.34 O ATOM 0 H GLY A 34 9.574 4.269 -16.436 1.00 13.14 H new ATOM 0 HA2 GLY A 34 11.684 5.386 -15.895 1.00 20.04 H new ATOM 0 HA3 GLY A 34 12.164 5.199 -17.570 1.00 20.04 H new ATOM 516 N LEU A 35 9.450 6.868 -16.672 1.00 32.24 N ATOM 517 CA LEU A 35 8.688 8.083 -16.907 1.00 31.25 C ATOM 518 C LEU A 35 8.872 9.033 -15.721 1.00 52.04 C ATOM 519 O LEU A 35 8.521 10.209 -15.804 1.00 22.11 O ATOM 520 CB LEU A 35 7.225 7.747 -17.204 1.00 41.23 C ATOM 521 CG LEU A 35 6.249 8.926 -17.184 1.00 31.03 C ATOM 522 CD1 LEU A 35 6.412 9.795 -18.431 1.00 5.42 C ATOM 523 CD2 LEU A 35 4.808 8.441 -17.007 1.00 1.05 C ATOM 0 H LEU A 35 9.010 6.205 -16.034 1.00 32.24 H new ATOM 0 HA LEU A 35 9.059 8.601 -17.791 1.00 31.25 H new ATOM 0 HB2 LEU A 35 7.173 7.275 -18.185 1.00 41.23 H new ATOM 0 HB3 LEU A 35 6.887 7.009 -16.476 1.00 41.23 H new ATOM 0 HG LEU A 35 6.487 9.552 -16.324 1.00 31.03 H new ATOM 0 HD11 LEU A 35 5.707 10.625 -18.391 1.00 5.42 H new ATOM 0 HD12 LEU A 35 7.429 10.185 -18.472 1.00 5.42 H new ATOM 0 HD13 LEU A 35 6.217 9.196 -19.320 1.00 5.42 H new ATOM 0 HD21 LEU A 35 4.134 9.298 -16.996 1.00 1.05 H new ATOM 0 HD22 LEU A 35 4.542 7.781 -17.833 1.00 1.05 H new ATOM 0 HD23 LEU A 35 4.720 7.898 -16.066 1.00 1.05 H new ATOM 535 N PHE A 36 9.422 8.487 -14.647 1.00 20.52 N ATOM 536 CA PHE A 36 9.657 9.272 -13.446 1.00 73.41 C ATOM 537 C PHE A 36 11.079 9.833 -13.428 1.00 62.01 C ATOM 538 O PHE A 36 12.047 9.080 -13.331 1.00 45.32 O ATOM 539 CB PHE A 36 9.477 8.328 -12.254 1.00 3.55 C ATOM 540 CG PHE A 36 8.051 7.801 -12.087 1.00 31.21 C ATOM 541 CD1 PHE A 36 7.530 6.947 -13.008 1.00 55.31 C ATOM 542 CD2 PHE A 36 7.305 8.186 -11.018 1.00 21.25 C ATOM 543 CE1 PHE A 36 6.206 6.457 -12.852 1.00 43.54 C ATOM 544 CE2 PHE A 36 5.981 7.696 -10.862 1.00 11.12 C ATOM 545 CZ PHE A 36 5.460 6.842 -11.783 1.00 24.50 C ATOM 0 H PHE A 36 9.712 7.511 -14.583 1.00 20.52 H new ATOM 0 HA PHE A 36 8.964 10.112 -13.408 1.00 73.41 H new ATOM 0 HB2 PHE A 36 10.155 7.482 -12.368 1.00 3.55 H new ATOM 0 HB3 PHE A 36 9.769 8.850 -11.343 1.00 3.55 H new ATOM 0 HD1 PHE A 36 8.123 6.641 -13.858 1.00 55.31 H new ATOM 0 HD2 PHE A 36 7.719 8.865 -10.287 1.00 21.25 H new ATOM 0 HE1 PHE A 36 5.792 5.778 -13.583 1.00 43.54 H new ATOM 0 HE2 PHE A 36 5.388 8.002 -10.012 1.00 11.12 H new ATOM 0 HZ PHE A 36 4.453 6.470 -11.665 1.00 24.50 H new ATOM 555 N GLY A 37 11.162 11.152 -13.522 1.00 72.03 N ATOM 556 CA GLY A 37 12.451 11.823 -13.518 1.00 54.23 C ATOM 557 C GLY A 37 12.544 12.839 -14.658 1.00 11.10 C ATOM 558 O GLY A 37 13.414 13.708 -14.651 1.00 34.13 O ATOM 0 H GLY A 37 10.358 11.774 -13.601 1.00 72.03 H new ATOM 0 HA2 GLY A 37 12.599 12.328 -12.563 1.00 54.23 H new ATOM 0 HA3 GLY A 37 13.249 11.087 -13.616 1.00 54.23 H new ATOM 562 N ARG A 38 11.634 12.696 -15.612 1.00 20.32 N ATOM 563 CA ARG A 38 11.603 13.590 -16.757 1.00 21.31 C ATOM 564 C ARG A 38 10.186 14.125 -16.974 1.00 12.13 C ATOM 565 O ARG A 38 9.212 13.499 -16.557 1.00 64.01 O ATOM 566 CB ARG A 38 12.071 12.875 -18.026 1.00 72.11 C ATOM 567 CG ARG A 38 11.113 11.743 -18.402 1.00 4.21 C ATOM 568 CD ARG A 38 11.557 10.419 -17.776 1.00 70.22 C ATOM 569 NE ARG A 38 12.618 9.800 -18.601 1.00 24.34 N ATOM 570 CZ ARG A 38 12.388 9.115 -19.742 1.00 4.41 C ATOM 571 NH1 ARG A 38 11.130 8.957 -20.204 1.00 32.22 N ATOM 572 NH2 ARG A 38 13.413 8.604 -20.398 1.00 41.32 N1+ ATOM 0 H ARG A 38 10.913 11.974 -15.615 1.00 20.32 H new ATOM 0 HA ARG A 38 12.280 14.419 -16.550 1.00 21.31 H new ATOM 0 HB2 ARG A 38 12.136 13.589 -18.847 1.00 72.11 H new ATOM 0 HB3 ARG A 38 13.073 12.473 -17.873 1.00 72.11 H new ATOM 0 HG2 ARG A 38 10.105 11.988 -18.067 1.00 4.21 H new ATOM 0 HG3 ARG A 38 11.072 11.641 -19.486 1.00 4.21 H new ATOM 0 HD2 ARG A 38 11.925 10.591 -16.765 1.00 70.22 H new ATOM 0 HD3 ARG A 38 10.706 9.742 -17.695 1.00 70.22 H new ATOM 0 HE ARG A 38 13.584 9.897 -18.288 1.00 24.34 H new ATOM 0 HH11 ARG A 38 10.344 9.356 -19.691 1.00 32.22 H new ATOM 0 HH12 ARG A 38 10.965 8.438 -21.067 1.00 32.22 H new ATOM 0 HH21 ARG A 38 14.360 8.729 -20.041 1.00 41.32 H new ATOM 0 HH22 ARG A 38 13.258 8.084 -21.261 1.00 41.32 H new ATOM 585 N LYS A 39 10.116 15.276 -17.624 1.00 13.22 N ATOM 586 CA LYS A 39 8.835 15.903 -17.901 1.00 74.33 C ATOM 587 C LYS A 39 8.037 15.019 -18.862 1.00 3.51 C ATOM 588 O LYS A 39 8.453 13.906 -19.177 1.00 62.53 O ATOM 589 CB LYS A 39 9.035 17.333 -18.405 1.00 1.41 C ATOM 590 CG LYS A 39 9.827 18.165 -17.393 1.00 54.01 C ATOM 591 CD LYS A 39 10.570 19.310 -18.085 1.00 44.05 C ATOM 592 CE LYS A 39 10.948 20.403 -17.084 1.00 41.14 C ATOM 593 NZ LYS A 39 9.757 21.197 -16.710 1.00 34.23 N1+ ATOM 0 H LYS A 39 10.926 15.792 -17.967 1.00 13.22 H new ATOM 0 HA LYS A 39 8.249 15.992 -16.986 1.00 74.33 H new ATOM 0 HB2 LYS A 39 9.562 17.316 -19.359 1.00 1.41 H new ATOM 0 HB3 LYS A 39 8.066 17.798 -18.585 1.00 1.41 H new ATOM 0 HG2 LYS A 39 9.150 18.569 -16.640 1.00 54.01 H new ATOM 0 HG3 LYS A 39 10.540 17.527 -16.871 1.00 54.01 H new ATOM 0 HD2 LYS A 39 11.469 18.926 -18.566 1.00 44.05 H new ATOM 0 HD3 LYS A 39 9.944 19.732 -18.871 1.00 44.05 H new ATOM 0 HE2 LYS A 39 11.387 19.953 -16.193 1.00 41.14 H new ATOM 0 HE3 LYS A 39 11.706 21.055 -17.518 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 9.835 22.151 -17.116 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 8.901 20.733 -17.077 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 9.697 21.265 -15.674 1.00 34.23 H new ATOM 606 N THR A 40 6.904 15.549 -19.301 1.00 65.31 N ATOM 607 CA THR A 40 6.045 14.822 -20.220 1.00 31.43 C ATOM 608 C THR A 40 6.645 14.823 -21.626 1.00 44.43 C ATOM 609 O THR A 40 7.618 15.529 -21.890 1.00 33.44 O ATOM 610 CB THR A 40 4.649 15.445 -20.154 1.00 11.21 C ATOM 611 OG1 THR A 40 4.794 16.691 -20.831 1.00 13.44 O ATOM 612 CG2 THR A 40 4.249 15.839 -18.731 1.00 70.11 C ATOM 0 H THR A 40 6.562 16.473 -19.037 1.00 65.31 H new ATOM 0 HA THR A 40 5.963 13.772 -19.938 1.00 31.43 H new ATOM 0 HB THR A 40 3.919 14.742 -20.554 1.00 11.21 H new ATOM 0 HG1 THR A 40 3.910 17.035 -21.076 1.00 13.44 H new ATOM 0 HG21 THR A 40 3.250 16.276 -18.742 1.00 70.11 H new ATOM 0 HG22 THR A 40 4.251 14.954 -18.094 1.00 70.11 H new ATOM 0 HG23 THR A 40 4.960 16.568 -18.342 1.00 70.11 H new ATOM 620 N GLY A 41 6.043 14.023 -22.493 1.00 74.22 N ATOM 621 CA GLY A 41 6.506 13.923 -23.867 1.00 71.51 C ATOM 622 C GLY A 41 8.033 13.981 -23.935 1.00 41.34 C ATOM 623 O GLY A 41 8.600 14.973 -24.390 1.00 43.02 O ATOM 0 H GLY A 41 5.238 13.437 -22.271 1.00 74.22 H new ATOM 0 HA2 GLY A 41 6.154 12.990 -24.306 1.00 71.51 H new ATOM 0 HA3 GLY A 41 6.081 14.734 -24.458 1.00 71.51 H new ATOM 627 N GLN A 42 8.655 12.905 -23.477 1.00 44.12 N ATOM 628 CA GLN A 42 10.106 12.820 -23.482 1.00 73.11 C ATOM 629 C GLN A 42 10.572 11.738 -24.457 1.00 50.22 C ATOM 630 O GLN A 42 11.734 11.721 -24.863 1.00 50.14 O ATOM 631 CB GLN A 42 10.644 12.558 -22.073 1.00 52.53 C ATOM 632 CG GLN A 42 10.476 13.791 -21.184 1.00 41.42 C ATOM 633 CD GLN A 42 11.484 14.879 -21.560 1.00 13.22 C ATOM 634 OE1 GLN A 42 12.587 14.946 -21.042 1.00 42.03 O ATOM 635 NE2 GLN A 42 11.044 15.727 -22.487 1.00 33.53 N ATOM 0 H GLN A 42 8.181 12.084 -23.100 1.00 44.12 H new ATOM 0 HA GLN A 42 10.505 13.778 -23.816 1.00 73.11 H new ATOM 0 HB2 GLN A 42 10.118 11.712 -21.631 1.00 52.53 H new ATOM 0 HB3 GLN A 42 11.698 12.285 -22.127 1.00 52.53 H new ATOM 0 HG2 GLN A 42 9.462 14.180 -21.283 1.00 41.42 H new ATOM 0 HG3 GLN A 42 10.610 13.511 -20.139 1.00 41.42 H new ATOM 0 HE21 GLN A 42 10.109 15.614 -22.879 1.00 33.53 H new ATOM 0 HE22 GLN A 42 11.642 16.490 -22.805 1.00 33.53 H new ATOM 644 N ALA A 43 9.643 10.860 -24.806 1.00 21.43 N ATOM 645 CA ALA A 43 9.944 9.776 -25.726 1.00 13.43 C ATOM 646 C ALA A 43 10.060 10.337 -27.146 1.00 25.42 C ATOM 647 O ALA A 43 9.286 11.208 -27.539 1.00 21.44 O ATOM 648 CB ALA A 43 8.868 8.696 -25.612 1.00 52.04 C ATOM 0 H ALA A 43 8.681 10.877 -24.468 1.00 21.43 H new ATOM 0 HA ALA A 43 10.898 9.312 -25.475 1.00 13.43 H new ATOM 0 HB1 ALA A 43 9.094 7.883 -26.302 1.00 52.04 H new ATOM 0 HB2 ALA A 43 8.846 8.311 -24.593 1.00 52.04 H new ATOM 0 HB3 ALA A 43 7.896 9.123 -25.860 1.00 52.04 H new ATOM 654 N PRO A 44 11.060 9.799 -27.895 1.00 54.23 N ATOM 655 CA PRO A 44 11.287 10.236 -29.263 1.00 32.32 C ATOM 656 C PRO A 44 10.225 9.664 -30.204 1.00 45.34 C ATOM 657 O PRO A 44 9.327 8.945 -29.770 1.00 73.41 O ATOM 658 CB PRO A 44 12.693 9.765 -29.596 1.00 53.35 C ATOM 659 CG PRO A 44 13.024 8.686 -28.580 1.00 23.34 C ATOM 660 CD PRO A 44 11.996 8.766 -27.463 1.00 50.12 C ATOM 0 HA PRO A 44 11.205 11.317 -29.380 1.00 32.32 H new ATOM 0 HB2 PRO A 44 12.743 9.373 -30.612 1.00 53.35 H new ATOM 0 HB3 PRO A 44 13.405 10.588 -29.537 1.00 53.35 H new ATOM 0 HG2 PRO A 44 13.003 7.702 -29.048 1.00 23.34 H new ATOM 0 HG3 PRO A 44 14.029 8.830 -28.184 1.00 23.34 H new ATOM 0 HD2 PRO A 44 11.492 7.810 -27.319 1.00 50.12 H new ATOM 0 HD3 PRO A 44 12.463 9.027 -26.513 1.00 50.12 H new ATOM 668 N GLY A 45 10.364 10.004 -31.477 1.00 22.12 N ATOM 669 CA GLY A 45 9.429 9.534 -32.484 1.00 73.44 C ATOM 670 C GLY A 45 7.983 9.714 -32.017 1.00 55.25 C ATOM 671 O GLY A 45 7.396 10.780 -32.201 1.00 72.31 O ATOM 0 H GLY A 45 11.111 10.600 -31.834 1.00 22.12 H new ATOM 0 HA2 GLY A 45 9.585 10.081 -33.414 1.00 73.44 H new ATOM 0 HA3 GLY A 45 9.618 8.482 -32.698 1.00 73.44 H new ATOM 675 N TYR A 46 7.450 8.657 -31.422 1.00 11.53 N ATOM 676 CA TYR A 46 6.084 8.686 -30.927 1.00 1.24 C ATOM 677 C TYR A 46 5.743 10.057 -30.337 1.00 3.31 C ATOM 678 O TYR A 46 6.115 10.359 -29.204 1.00 11.32 O ATOM 679 CB TYR A 46 6.016 7.636 -29.816 1.00 41.13 C ATOM 680 CG TYR A 46 4.780 7.756 -28.922 1.00 1.24 C ATOM 681 CD1 TYR A 46 3.610 7.114 -29.271 1.00 44.14 C ATOM 682 CD2 TYR A 46 4.837 8.506 -27.765 1.00 52.02 C ATOM 683 CE1 TYR A 46 2.447 7.227 -28.429 1.00 65.11 C ATOM 684 CE2 TYR A 46 3.675 8.619 -26.923 1.00 32.21 C ATOM 685 CZ TYR A 46 2.537 7.974 -27.297 1.00 34.24 C ATOM 686 OH TYR A 46 1.439 8.080 -26.501 1.00 1.12 O ATOM 0 H TYR A 46 7.939 7.775 -31.271 1.00 11.53 H new ATOM 0 HA TYR A 46 5.379 8.488 -31.734 1.00 1.24 H new ATOM 0 HB2 TYR A 46 6.031 6.644 -30.267 1.00 41.13 H new ATOM 0 HB3 TYR A 46 6.909 7.719 -29.197 1.00 41.13 H new ATOM 0 HD1 TYR A 46 3.566 6.526 -30.176 1.00 44.14 H new ATOM 0 HD2 TYR A 46 5.753 9.008 -27.491 1.00 52.02 H new ATOM 0 HE1 TYR A 46 1.525 6.730 -28.691 1.00 65.11 H new ATOM 0 HE2 TYR A 46 3.706 9.203 -26.015 1.00 32.21 H new ATOM 0 HH TYR A 46 0.701 7.567 -26.892 1.00 1.12 H new ATOM 696 N SER A 47 5.040 10.849 -31.133 1.00 12.14 N ATOM 697 CA SER A 47 4.646 12.181 -30.703 1.00 63.25 C ATOM 698 C SER A 47 3.396 12.098 -29.825 1.00 53.23 C ATOM 699 O SER A 47 2.400 11.486 -30.211 1.00 5.24 O ATOM 700 CB SER A 47 4.391 13.093 -31.905 1.00 53.34 C ATOM 701 OG SER A 47 3.998 14.403 -31.506 1.00 2.34 O ATOM 0 H SER A 47 4.733 10.595 -32.072 1.00 12.14 H new ATOM 0 HA SER A 47 5.462 12.610 -30.122 1.00 63.25 H new ATOM 0 HB2 SER A 47 5.294 13.154 -32.512 1.00 53.34 H new ATOM 0 HB3 SER A 47 3.614 12.657 -32.533 1.00 53.34 H new ATOM 0 HG SER A 47 3.846 14.955 -32.301 1.00 2.34 H new ATOM 707 N TYR A 48 3.488 12.722 -28.660 1.00 51.45 N ATOM 708 CA TYR A 48 2.378 12.727 -27.723 1.00 53.45 C ATOM 709 C TYR A 48 1.286 13.702 -28.172 1.00 22.32 C ATOM 710 O TYR A 48 1.369 14.275 -29.257 1.00 41.51 O ATOM 711 CB TYR A 48 2.953 13.204 -26.389 1.00 50.11 C ATOM 712 CG TYR A 48 3.839 12.171 -25.688 1.00 52.33 C ATOM 713 CD1 TYR A 48 5.121 11.940 -26.144 1.00 33.34 C ATOM 714 CD2 TYR A 48 3.355 11.471 -24.602 1.00 54.41 C ATOM 715 CE1 TYR A 48 5.954 10.968 -25.484 1.00 74.44 C ATOM 716 CE2 TYR A 48 4.188 10.499 -23.943 1.00 15.30 C ATOM 717 CZ TYR A 48 5.447 10.296 -24.416 1.00 60.15 C ATOM 718 OH TYR A 48 6.233 9.377 -23.794 1.00 3.35 O ATOM 0 H TYR A 48 4.315 13.228 -28.344 1.00 51.45 H new ATOM 0 HA TYR A 48 1.930 11.736 -27.654 1.00 53.45 H new ATOM 0 HB2 TYR A 48 3.534 14.110 -26.559 1.00 50.11 H new ATOM 0 HB3 TYR A 48 2.131 13.472 -25.726 1.00 50.11 H new ATOM 0 HD1 TYR A 48 5.499 12.487 -26.995 1.00 33.34 H new ATOM 0 HD2 TYR A 48 2.351 11.652 -24.246 1.00 54.41 H new ATOM 0 HE1 TYR A 48 6.959 10.777 -25.830 1.00 74.44 H new ATOM 0 HE2 TYR A 48 3.821 9.944 -23.092 1.00 15.30 H new ATOM 0 HH TYR A 48 5.740 8.976 -23.048 1.00 3.35 H new ATOM 728 N THR A 49 0.289 13.859 -27.314 1.00 35.11 N ATOM 729 CA THR A 49 -0.818 14.754 -27.608 1.00 64.22 C ATOM 730 C THR A 49 -0.440 16.197 -27.269 1.00 54.14 C ATOM 731 O THR A 49 0.518 16.437 -26.535 1.00 75.51 O ATOM 732 CB THR A 49 -2.046 14.252 -26.848 1.00 13.11 C ATOM 733 OG1 THR A 49 -1.647 14.289 -25.480 1.00 51.35 O ATOM 734 CG2 THR A 49 -2.336 12.774 -27.112 1.00 63.01 C ATOM 0 H THR A 49 0.224 13.382 -26.415 1.00 35.11 H new ATOM 0 HA THR A 49 -1.055 14.755 -28.672 1.00 64.22 H new ATOM 0 HB THR A 49 -2.915 14.847 -27.130 1.00 13.11 H new ATOM 0 HG1 THR A 49 -2.386 13.980 -24.915 1.00 51.35 H new ATOM 0 HG21 THR A 49 -3.218 12.470 -26.548 1.00 63.01 H new ATOM 0 HG22 THR A 49 -2.516 12.623 -28.176 1.00 63.01 H new ATOM 0 HG23 THR A 49 -1.481 12.174 -26.800 1.00 63.01 H new ATOM 742 N ALA A 50 -1.213 17.122 -27.821 1.00 24.34 N ATOM 743 CA ALA A 50 -0.972 18.536 -27.586 1.00 24.32 C ATOM 744 C ALA A 50 -1.298 18.869 -26.128 1.00 54.32 C ATOM 745 O ALA A 50 -0.879 19.906 -25.616 1.00 62.11 O ATOM 746 CB ALA A 50 -1.795 19.365 -28.572 1.00 42.13 C ATOM 0 H ALA A 50 -2.006 16.920 -28.430 1.00 24.34 H new ATOM 0 HA ALA A 50 0.077 18.780 -27.753 1.00 24.32 H new ATOM 0 HB1 ALA A 50 -1.614 20.425 -28.396 1.00 42.13 H new ATOM 0 HB2 ALA A 50 -1.504 19.112 -29.592 1.00 42.13 H new ATOM 0 HB3 ALA A 50 -2.854 19.150 -28.433 1.00 42.13 H new ATOM 752 N ALA A 51 -2.045 17.971 -25.503 1.00 13.53 N ATOM 753 CA ALA A 51 -2.434 18.158 -24.115 1.00 20.33 C ATOM 754 C ALA A 51 -1.520 17.320 -23.217 1.00 71.23 C ATOM 755 O ALA A 51 -1.735 17.241 -22.009 1.00 42.11 O ATOM 756 CB ALA A 51 -3.910 17.796 -23.945 1.00 31.52 C ATOM 0 H ALA A 51 -2.391 17.113 -25.931 1.00 13.53 H new ATOM 0 HA ALA A 51 -2.319 19.201 -23.821 1.00 20.33 H new ATOM 0 HB1 ALA A 51 -4.201 17.936 -22.904 1.00 31.52 H new ATOM 0 HB2 ALA A 51 -4.518 18.439 -24.582 1.00 31.52 H new ATOM 0 HB3 ALA A 51 -4.064 16.755 -24.228 1.00 31.52 H new ATOM 762 N ASN A 52 -0.522 16.715 -23.845 1.00 33.55 N ATOM 763 CA ASN A 52 0.425 15.886 -23.117 1.00 3.30 C ATOM 764 C ASN A 52 1.671 16.711 -22.788 1.00 32.21 C ATOM 765 O ASN A 52 2.064 16.810 -21.627 1.00 0.33 O ATOM 766 CB ASN A 52 0.862 14.684 -23.957 1.00 62.11 C ATOM 767 CG ASN A 52 2.077 13.993 -23.334 1.00 74.35 C ATOM 768 OD1 ASN A 52 3.175 14.013 -23.866 1.00 73.55 O ATOM 769 ND2 ASN A 52 1.819 13.383 -22.181 1.00 24.25 N ATOM 0 H ASN A 52 -0.349 16.782 -24.848 1.00 33.55 H new ATOM 0 HA ASN A 52 -0.063 15.534 -22.208 1.00 3.30 H new ATOM 0 HB2 ASN A 52 0.038 13.975 -24.040 1.00 62.11 H new ATOM 0 HB3 ASN A 52 1.104 15.011 -24.968 1.00 62.11 H new ATOM 0 HD21 ASN A 52 2.564 12.893 -21.686 1.00 24.25 H new ATOM 0 HD22 ASN A 52 0.876 13.406 -21.792 1.00 24.25 H new ATOM 776 N LYS A 53 2.257 17.280 -23.830 1.00 51.52 N ATOM 777 CA LYS A 53 3.450 18.094 -23.666 1.00 63.12 C ATOM 778 C LYS A 53 3.057 19.460 -23.101 1.00 71.04 C ATOM 779 O LYS A 53 3.911 20.207 -22.626 1.00 34.03 O ATOM 780 CB LYS A 53 4.230 18.172 -24.980 1.00 51.14 C ATOM 781 CG LYS A 53 4.182 16.838 -25.727 1.00 72.33 C ATOM 782 CD LYS A 53 3.244 16.918 -26.934 1.00 61.33 C ATOM 783 CE LYS A 53 4.019 17.256 -28.209 1.00 25.12 C ATOM 784 NZ LYS A 53 4.861 16.111 -28.622 1.00 11.21 N1+ ATOM 0 H LYS A 53 1.928 17.194 -24.792 1.00 51.52 H new ATOM 0 HA LYS A 53 4.128 17.635 -22.947 1.00 63.12 H new ATOM 0 HB2 LYS A 53 3.813 18.960 -25.608 1.00 51.14 H new ATOM 0 HB3 LYS A 53 5.266 18.442 -24.776 1.00 51.14 H new ATOM 0 HG2 LYS A 53 5.184 16.567 -26.058 1.00 72.33 H new ATOM 0 HG3 LYS A 53 3.845 16.051 -25.052 1.00 72.33 H new ATOM 0 HD2 LYS A 53 2.726 15.967 -27.060 1.00 61.33 H new ATOM 0 HD3 LYS A 53 2.481 17.676 -26.756 1.00 61.33 H new ATOM 0 HE2 LYS A 53 3.323 17.510 -29.008 1.00 25.12 H new ATOM 0 HE3 LYS A 53 4.644 18.133 -28.040 1.00 25.12 H new ATOM 0 HZ1 LYS A 53 5.066 16.180 -29.639 1.00 11.21 H new ATOM 0 HZ2 LYS A 53 5.753 16.125 -28.087 1.00 11.21 H new ATOM 0 HZ3 LYS A 53 4.357 15.222 -28.430 1.00 11.21 H new ATOM 797 N ASN A 54 1.765 19.745 -23.173 1.00 23.11 N ATOM 798 CA ASN A 54 1.249 21.009 -22.674 1.00 62.43 C ATOM 799 C ASN A 54 1.692 21.198 -21.222 1.00 74.05 C ATOM 800 O ASN A 54 2.364 22.175 -20.897 1.00 24.23 O ATOM 801 CB ASN A 54 -0.280 21.030 -22.708 1.00 40.12 C ATOM 802 CG ASN A 54 -0.802 22.440 -22.997 1.00 73.51 C ATOM 803 OD1 ASN A 54 -0.875 23.293 -22.127 1.00 23.41 O ATOM 804 ND2 ASN A 54 -1.160 22.636 -24.263 1.00 32.23 N ATOM 0 H ASN A 54 1.060 19.123 -23.569 1.00 23.11 H new ATOM 0 HA ASN A 54 1.635 21.806 -23.309 1.00 62.43 H new ATOM 0 HB2 ASN A 54 -0.640 20.341 -23.472 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -0.674 20.681 -21.753 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -1.521 23.544 -24.556 1.00 32.23 H new ATOM 0 HD22 ASN A 54 -1.073 21.879 -24.941 1.00 32.23 H new ATOM 811 N LYS A 55 1.297 20.248 -20.387 1.00 72.24 N ATOM 812 CA LYS A 55 1.644 20.298 -18.978 1.00 1.14 C ATOM 813 C LYS A 55 3.091 20.773 -18.830 1.00 53.42 C ATOM 814 O LYS A 55 3.337 21.918 -18.453 1.00 12.22 O ATOM 815 CB LYS A 55 1.369 18.949 -18.309 1.00 73.04 C ATOM 816 CG LYS A 55 1.002 19.133 -16.835 1.00 64.50 C ATOM 817 CD LYS A 55 -0.515 19.191 -16.652 1.00 75.50 C ATOM 818 CE LYS A 55 -0.901 20.237 -15.603 1.00 64.34 C ATOM 819 NZ LYS A 55 -2.195 19.887 -14.973 1.00 3.42 N1+ ATOM 0 H LYS A 55 0.739 19.439 -20.660 1.00 72.24 H new ATOM 0 HA LYS A 55 1.015 21.020 -18.457 1.00 1.14 H new ATOM 0 HB2 LYS A 55 0.557 18.440 -18.829 1.00 73.04 H new ATOM 0 HB3 LYS A 55 2.250 18.312 -18.392 1.00 73.04 H new ATOM 0 HG2 LYS A 55 1.412 18.310 -16.249 1.00 64.50 H new ATOM 0 HG3 LYS A 55 1.453 20.050 -16.456 1.00 64.50 H new ATOM 0 HD2 LYS A 55 -0.991 19.431 -17.603 1.00 75.50 H new ATOM 0 HD3 LYS A 55 -0.886 18.212 -16.348 1.00 75.50 H new ATOM 0 HE2 LYS A 55 -0.124 20.300 -14.841 1.00 64.34 H new ATOM 0 HE3 LYS A 55 -0.971 21.220 -16.069 1.00 64.34 H new ATOM 0 HZ1 LYS A 55 -2.442 20.607 -14.264 1.00 3.42 H new ATOM 0 HZ2 LYS A 55 -2.937 19.849 -15.701 1.00 3.42 H new ATOM 0 HZ3 LYS A 55 -2.116 18.959 -14.511 1.00 3.42 H new ATOM 832 N GLY A 56 4.011 19.870 -19.135 1.00 41.10 N ATOM 833 CA GLY A 56 5.426 20.184 -19.042 1.00 23.55 C ATOM 834 C GLY A 56 5.918 20.076 -17.596 1.00 73.03 C ATOM 835 O GLY A 56 6.857 20.766 -17.203 1.00 71.12 O ATOM 0 H GLY A 56 3.804 18.921 -19.447 1.00 41.10 H new ATOM 0 HA2 GLY A 56 5.995 19.504 -19.675 1.00 23.55 H new ATOM 0 HA3 GLY A 56 5.604 21.192 -19.416 1.00 23.55 H new ATOM 839 N ILE A 57 5.259 19.206 -16.845 1.00 34.25 N ATOM 840 CA ILE A 57 5.616 19.000 -15.451 1.00 4.20 C ATOM 841 C ILE A 57 6.441 17.717 -15.325 1.00 44.42 C ATOM 842 O ILE A 57 6.429 16.876 -16.224 1.00 10.04 O ATOM 843 CB ILE A 57 4.366 19.016 -14.570 1.00 10.34 C ATOM 844 CG1 ILE A 57 3.472 17.810 -14.863 1.00 23.30 C ATOM 845 CG2 ILE A 57 3.611 20.338 -14.715 1.00 35.13 C ATOM 846 CD1 ILE A 57 4.110 16.517 -14.348 1.00 51.13 C ATOM 0 H ILE A 57 4.480 18.636 -17.175 1.00 34.25 H new ATOM 0 HA ILE A 57 6.241 19.818 -15.093 1.00 4.20 H new ATOM 0 HB ILE A 57 4.681 18.937 -13.529 1.00 10.34 H new ATOM 0 HG12 ILE A 57 2.499 17.952 -14.393 1.00 23.30 H new ATOM 0 HG13 ILE A 57 3.300 17.732 -15.937 1.00 23.30 H new ATOM 0 HG21 ILE A 57 2.726 20.324 -14.078 1.00 35.13 H new ATOM 0 HG22 ILE A 57 4.259 21.162 -14.417 1.00 35.13 H new ATOM 0 HG23 ILE A 57 3.308 20.472 -15.754 1.00 35.13 H new ATOM 0 HD11 ILE A 57 3.454 15.675 -14.569 1.00 51.13 H new ATOM 0 HD12 ILE A 57 5.072 16.366 -14.837 1.00 51.13 H new ATOM 0 HD13 ILE A 57 4.258 16.589 -13.271 1.00 51.13 H new ATOM 858 N ILE A 58 7.139 17.608 -14.204 1.00 31.21 N ATOM 859 CA ILE A 58 7.967 16.441 -13.949 1.00 43.43 C ATOM 860 C ILE A 58 7.132 15.371 -13.245 1.00 60.14 C ATOM 861 O ILE A 58 6.914 15.443 -12.037 1.00 21.20 O ATOM 862 CB ILE A 58 9.229 16.839 -13.181 1.00 45.12 C ATOM 863 CG1 ILE A 58 9.977 17.964 -13.900 1.00 53.42 C ATOM 864 CG2 ILE A 58 10.126 15.624 -12.932 1.00 60.01 C ATOM 865 CD1 ILE A 58 11.428 18.051 -13.423 1.00 11.43 C ATOM 0 H ILE A 58 7.148 18.308 -13.462 1.00 31.21 H new ATOM 0 HA ILE A 58 8.314 16.008 -14.887 1.00 43.43 H new ATOM 0 HB ILE A 58 8.928 17.223 -12.206 1.00 45.12 H new ATOM 0 HG12 ILE A 58 9.954 17.791 -14.976 1.00 53.42 H new ATOM 0 HG13 ILE A 58 9.474 18.914 -13.719 1.00 53.42 H new ATOM 0 HG21 ILE A 58 11.016 15.935 -12.385 1.00 60.01 H new ATOM 0 HG22 ILE A 58 9.581 14.883 -12.348 1.00 60.01 H new ATOM 0 HG23 ILE A 58 10.421 15.188 -13.886 1.00 60.01 H new ATOM 0 HD11 ILE A 58 11.936 18.858 -13.950 1.00 11.43 H new ATOM 0 HD12 ILE A 58 11.447 18.248 -12.351 1.00 11.43 H new ATOM 0 HD13 ILE A 58 11.935 17.108 -13.628 1.00 11.43 H new ATOM 877 N TRP A 59 6.684 14.403 -14.032 1.00 42.03 N ATOM 878 CA TRP A 59 5.877 13.318 -13.499 1.00 53.42 C ATOM 879 C TRP A 59 6.557 12.803 -12.229 1.00 35.14 C ATOM 880 O TRP A 59 7.775 12.896 -12.091 1.00 11.40 O ATOM 881 CB TRP A 59 5.665 12.227 -14.549 1.00 61.43 C ATOM 882 CG TRP A 59 4.854 12.680 -15.765 1.00 4.33 C ATOM 883 CD1 TRP A 59 5.279 12.838 -17.026 1.00 71.34 C ATOM 884 CD2 TRP A 59 3.455 13.032 -15.783 1.00 13.24 C ATOM 885 NE1 TRP A 59 4.258 13.263 -17.853 1.00 20.21 N ATOM 886 CE2 TRP A 59 3.115 13.385 -17.073 1.00 13.32 C ATOM 887 CE3 TRP A 59 2.509 13.052 -14.744 1.00 30.40 C ATOM 888 CZ2 TRP A 59 1.825 13.783 -17.443 1.00 41.54 C ATOM 889 CZ3 TRP A 59 1.224 13.451 -15.131 1.00 15.13 C ATOM 890 CH2 TRP A 59 0.864 13.810 -16.425 1.00 21.05 C ATOM 0 H TRP A 59 6.865 14.348 -15.034 1.00 42.03 H new ATOM 0 HA TRP A 59 4.878 13.670 -13.240 1.00 53.42 H new ATOM 0 HB2 TRP A 59 6.637 11.869 -14.887 1.00 61.43 H new ATOM 0 HB3 TRP A 59 5.159 11.382 -14.082 1.00 61.43 H new ATOM 0 HD1 TRP A 59 6.292 12.656 -17.354 1.00 71.34 H new ATOM 0 HE1 TRP A 59 4.330 13.452 -18.853 1.00 20.21 H new ATOM 0 HE3 TRP A 59 2.754 12.781 -13.728 1.00 30.40 H new ATOM 0 HZ2 TRP A 59 1.584 14.055 -18.460 1.00 41.54 H new ATOM 0 HZ3 TRP A 59 0.458 13.482 -14.370 1.00 15.13 H new ATOM 0 HH2 TRP A 59 -0.151 14.108 -16.644 1.00 21.05 H new ATOM 901 N GLY A 60 5.739 12.271 -11.333 1.00 53.12 N ATOM 902 CA GLY A 60 6.245 11.741 -10.078 1.00 65.12 C ATOM 903 C GLY A 60 5.115 11.142 -9.239 1.00 54.35 C ATOM 904 O GLY A 60 4.304 10.367 -9.746 1.00 52.13 O ATOM 0 H GLY A 60 4.729 12.195 -11.451 1.00 53.12 H new ATOM 0 HA2 GLY A 60 6.997 10.978 -10.279 1.00 65.12 H new ATOM 0 HA3 GLY A 60 6.738 12.535 -9.517 1.00 65.12 H new ATOM 908 N GLU A 61 5.095 11.524 -7.971 1.00 1.21 N ATOM 909 CA GLU A 61 4.078 11.036 -7.057 1.00 74.52 C ATOM 910 C GLU A 61 2.858 11.961 -7.076 1.00 21.13 C ATOM 911 O GLU A 61 1.736 11.510 -7.299 1.00 72.12 O ATOM 912 CB GLU A 61 4.635 10.893 -5.639 1.00 44.23 C ATOM 913 CG GLU A 61 5.817 9.921 -5.611 1.00 1.31 C ATOM 914 CD GLU A 61 6.808 10.297 -4.508 1.00 23.15 C ATOM 915 OE1 GLU A 61 6.787 9.694 -3.424 1.00 64.15 O ATOM 916 OE2 GLU A 61 7.623 11.251 -4.807 1.00 43.33 O1- ATOM 0 H GLU A 61 5.768 12.167 -7.555 1.00 1.21 H new ATOM 0 HA GLU A 61 3.765 10.046 -7.390 1.00 74.52 H new ATOM 0 HB2 GLU A 61 4.952 11.868 -5.269 1.00 44.23 H new ATOM 0 HB3 GLU A 61 3.851 10.538 -4.970 1.00 44.23 H new ATOM 0 HG2 GLU A 61 5.454 8.906 -5.449 1.00 1.31 H new ATOM 0 HG3 GLU A 61 6.322 9.929 -6.577 1.00 1.31 H new ATOM 924 N ASP A 62 3.121 13.237 -6.838 1.00 52.34 N ATOM 925 CA ASP A 62 2.059 14.230 -6.826 1.00 22.22 C ATOM 926 C ASP A 62 1.417 14.302 -8.212 1.00 44.15 C ATOM 927 O ASP A 62 0.237 13.993 -8.371 1.00 22.13 O ATOM 928 CB ASP A 62 2.607 15.617 -6.486 1.00 1.41 C ATOM 929 CG ASP A 62 2.897 15.852 -5.002 1.00 52.20 C ATOM 930 OD1 ASP A 62 3.743 16.683 -4.640 1.00 2.01 O ATOM 931 OD2 ASP A 62 2.201 15.131 -4.190 1.00 21.24 O1- ATOM 0 H ASP A 62 4.053 13.607 -6.652 1.00 52.34 H new ATOM 0 HA ASP A 62 1.330 13.935 -6.071 1.00 22.22 H new ATOM 0 HB2 ASP A 62 3.526 15.776 -7.050 1.00 1.41 H new ATOM 0 HB3 ASP A 62 1.892 16.367 -6.824 1.00 1.41 H new ATOM 937 N THR A 63 2.223 14.711 -9.182 1.00 72.52 N ATOM 938 CA THR A 63 1.747 14.827 -10.550 1.00 21.51 C ATOM 939 C THR A 63 0.805 13.670 -10.888 1.00 21.32 C ATOM 940 O THR A 63 -0.314 13.890 -11.349 1.00 40.52 O ATOM 941 CB THR A 63 2.968 14.903 -11.469 1.00 0.41 C ATOM 942 OG1 THR A 63 3.895 13.987 -10.893 1.00 52.45 O ATOM 943 CG2 THR A 63 3.680 16.256 -11.386 1.00 31.44 C ATOM 0 H THR A 63 3.201 14.966 -9.047 1.00 72.52 H new ATOM 0 HA THR A 63 1.159 15.734 -10.688 1.00 21.51 H new ATOM 0 HB THR A 63 2.659 14.717 -12.498 1.00 0.41 H new ATOM 0 HG1 THR A 63 4.715 14.463 -10.646 1.00 52.45 H new ATOM 0 HG21 THR A 63 4.539 16.257 -12.057 1.00 31.44 H new ATOM 0 HG22 THR A 63 2.991 17.048 -11.678 1.00 31.44 H new ATOM 0 HG23 THR A 63 4.018 16.427 -10.364 1.00 31.44 H new ATOM 951 N LEU A 64 1.291 12.461 -10.644 1.00 13.22 N ATOM 952 CA LEU A 64 0.506 11.270 -10.915 1.00 63.53 C ATOM 953 C LEU A 64 -0.786 11.318 -10.096 1.00 64.34 C ATOM 954 O LEU A 64 -1.878 11.377 -10.658 1.00 55.10 O ATOM 955 CB LEU A 64 1.341 10.011 -10.673 1.00 44.42 C ATOM 956 CG LEU A 64 2.091 9.461 -11.889 1.00 60.21 C ATOM 957 CD1 LEU A 64 3.184 10.430 -12.343 1.00 64.04 C ATOM 958 CD2 LEU A 64 2.647 8.063 -11.603 1.00 52.11 C ATOM 0 H LEU A 64 2.219 12.282 -10.261 1.00 13.22 H new ATOM 0 HA LEU A 64 0.217 11.236 -11.965 1.00 63.53 H new ATOM 0 HB2 LEU A 64 2.067 10.226 -9.889 1.00 44.42 H new ATOM 0 HB3 LEU A 64 0.683 9.230 -10.293 1.00 44.42 H new ATOM 0 HG LEU A 64 1.384 9.365 -12.713 1.00 60.21 H new ATOM 0 HD11 LEU A 64 3.701 10.015 -13.208 1.00 64.04 H new ATOM 0 HD12 LEU A 64 2.734 11.385 -12.613 1.00 64.04 H new ATOM 0 HD13 LEU A 64 3.896 10.581 -11.532 1.00 64.04 H new ATOM 0 HD21 LEU A 64 3.175 7.695 -12.482 1.00 52.11 H new ATOM 0 HD22 LEU A 64 3.336 8.111 -10.760 1.00 52.11 H new ATOM 0 HD23 LEU A 64 1.826 7.387 -11.363 1.00 52.11 H new ATOM 970 N MET A 65 -0.617 11.288 -8.783 1.00 33.24 N ATOM 971 CA MET A 65 -1.755 11.327 -7.881 1.00 54.13 C ATOM 972 C MET A 65 -2.776 12.376 -8.331 1.00 25.33 C ATOM 973 O MET A 65 -3.963 12.261 -8.030 1.00 22.02 O ATOM 974 CB MET A 65 -1.275 11.655 -6.466 1.00 42.51 C ATOM 975 CG MET A 65 -0.748 10.404 -5.761 1.00 50.02 C ATOM 976 SD MET A 65 -1.011 10.537 -4.001 1.00 13.13 S ATOM 977 CE MET A 65 -2.366 9.393 -3.802 1.00 15.21 C ATOM 0 H MET A 65 0.291 11.237 -8.322 1.00 33.24 H new ATOM 0 HA MET A 65 -2.237 10.350 -7.892 1.00 54.13 H new ATOM 0 HB2 MET A 65 -0.490 12.409 -6.511 1.00 42.51 H new ATOM 0 HB3 MET A 65 -2.096 12.083 -5.890 1.00 42.51 H new ATOM 0 HG2 MET A 65 -1.254 9.519 -6.147 1.00 50.02 H new ATOM 0 HG3 MET A 65 0.315 10.280 -5.970 1.00 50.02 H new ATOM 0 HE1 MET A 65 -2.658 9.354 -2.753 1.00 15.21 H new ATOM 0 HE2 MET A 65 -3.213 9.724 -4.402 1.00 15.21 H new ATOM 0 HE3 MET A 65 -2.055 8.401 -4.129 1.00 15.21 H new ATOM 987 N GLU A 66 -2.274 13.374 -9.043 1.00 74.14 N ATOM 988 CA GLU A 66 -3.127 14.442 -9.537 1.00 73.33 C ATOM 989 C GLU A 66 -3.758 14.043 -10.873 1.00 2.43 C ATOM 990 O GLU A 66 -4.925 14.336 -11.125 1.00 72.31 O ATOM 991 CB GLU A 66 -2.346 15.751 -9.668 1.00 53.20 C ATOM 992 CG GLU A 66 -3.293 16.936 -9.873 1.00 12.14 C ATOM 993 CD GLU A 66 -2.606 18.254 -9.511 1.00 45.11 C ATOM 994 OE1 GLU A 66 -1.421 18.256 -9.144 1.00 41.11 O ATOM 995 OE2 GLU A 66 -3.347 19.304 -9.623 1.00 22.52 O1- ATOM 0 H GLU A 66 -1.289 13.466 -9.290 1.00 74.14 H new ATOM 0 HA GLU A 66 -3.927 14.605 -8.815 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -1.745 15.911 -8.773 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -1.655 15.684 -10.508 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -3.624 16.967 -10.911 1.00 12.14 H new ATOM 0 HG3 GLU A 66 -4.184 16.805 -9.259 1.00 12.14 H new ATOM 1003 N TYR A 67 -2.957 13.381 -11.695 1.00 23.00 N ATOM 1004 CA TYR A 67 -3.422 12.939 -12.999 1.00 3.25 C ATOM 1005 C TYR A 67 -4.384 11.758 -12.866 1.00 54.14 C ATOM 1006 O TYR A 67 -5.533 11.837 -13.301 1.00 20.25 O ATOM 1007 CB TYR A 67 -2.174 12.482 -13.758 1.00 71.14 C ATOM 1008 CG TYR A 67 -2.450 12.037 -15.196 1.00 24.31 C ATOM 1009 CD1 TYR A 67 -3.467 12.627 -15.918 1.00 64.21 C ATOM 1010 CD2 TYR A 67 -1.681 11.044 -15.769 1.00 40.42 C ATOM 1011 CE1 TYR A 67 -3.726 12.207 -17.271 1.00 44.34 C ATOM 1012 CE2 TYR A 67 -1.941 10.625 -17.123 1.00 20.05 C ATOM 1013 CZ TYR A 67 -2.950 11.227 -17.807 1.00 2.03 C ATOM 1014 OH TYR A 67 -3.194 10.831 -19.084 1.00 60.35 O ATOM 0 H TYR A 67 -1.989 13.140 -11.483 1.00 23.00 H new ATOM 0 HA TYR A 67 -3.952 13.742 -13.511 1.00 3.25 H new ATOM 0 HB2 TYR A 67 -1.451 13.298 -13.773 1.00 71.14 H new ATOM 0 HB3 TYR A 67 -1.713 11.657 -13.215 1.00 71.14 H new ATOM 0 HD1 TYR A 67 -4.069 13.403 -15.469 1.00 64.21 H new ATOM 0 HD2 TYR A 67 -0.886 10.582 -15.203 1.00 40.42 H new ATOM 0 HE1 TYR A 67 -4.519 12.660 -17.847 1.00 44.34 H new ATOM 0 HE2 TYR A 67 -1.347 9.850 -17.584 1.00 20.05 H new ATOM 0 HH TYR A 67 -2.898 9.904 -19.201 1.00 60.35 H new ATOM 1024 N LEU A 68 -3.882 10.691 -12.264 1.00 23.24 N ATOM 1025 CA LEU A 68 -4.684 9.494 -12.069 1.00 1.14 C ATOM 1026 C LEU A 68 -6.099 9.898 -11.649 1.00 70.03 C ATOM 1027 O LEU A 68 -7.075 9.278 -12.070 1.00 54.01 O ATOM 1028 CB LEU A 68 -3.998 8.545 -11.084 1.00 71.15 C ATOM 1029 CG LEU A 68 -2.585 8.094 -11.460 1.00 40.05 C ATOM 1030 CD1 LEU A 68 -2.210 6.802 -10.732 1.00 22.43 C ATOM 1031 CD2 LEU A 68 -2.439 7.959 -12.978 1.00 54.34 C ATOM 0 H LEU A 68 -2.930 10.629 -11.904 1.00 23.24 H new ATOM 0 HA LEU A 68 -4.774 8.938 -13.002 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -3.955 9.033 -10.110 1.00 71.15 H new ATOM 0 HB3 LEU A 68 -4.622 7.659 -10.969 1.00 71.15 H new ATOM 0 HG LEU A 68 -1.883 8.862 -11.135 1.00 40.05 H new ATOM 0 HD11 LEU A 68 -1.201 6.503 -11.017 1.00 22.43 H new ATOM 0 HD12 LEU A 68 -2.249 6.967 -9.655 1.00 22.43 H new ATOM 0 HD13 LEU A 68 -2.912 6.014 -11.004 1.00 22.43 H new ATOM 0 HD21 LEU A 68 -1.426 7.637 -13.219 1.00 54.34 H new ATOM 0 HD22 LEU A 68 -3.151 7.222 -13.348 1.00 54.34 H new ATOM 0 HD23 LEU A 68 -2.636 8.922 -13.450 1.00 54.34 H new ATOM 1043 N GLU A 69 -6.166 10.933 -10.827 1.00 20.13 N ATOM 1044 CA GLU A 69 -7.446 11.426 -10.346 1.00 44.21 C ATOM 1045 C GLU A 69 -8.351 11.790 -11.525 1.00 21.20 C ATOM 1046 O GLU A 69 -9.402 11.181 -11.716 1.00 32.34 O ATOM 1047 CB GLU A 69 -7.257 12.622 -9.411 1.00 23.33 C ATOM 1048 CG GLU A 69 -8.605 13.233 -9.023 1.00 33.31 C ATOM 1049 CD GLU A 69 -8.533 13.887 -7.641 1.00 75.21 C ATOM 1050 OE1 GLU A 69 -8.633 13.190 -6.620 1.00 44.32 O ATOM 1051 OE2 GLU A 69 -8.366 15.166 -7.651 1.00 54.32 O1- ATOM 0 H GLU A 69 -5.355 11.445 -10.481 1.00 20.13 H new ATOM 0 HA GLU A 69 -7.927 10.632 -9.774 1.00 44.21 H new ATOM 0 HB2 GLU A 69 -6.725 12.306 -8.514 1.00 23.33 H new ATOM 0 HB3 GLU A 69 -6.639 13.376 -9.899 1.00 23.33 H new ATOM 0 HG2 GLU A 69 -8.899 13.975 -9.765 1.00 33.31 H new ATOM 0 HG3 GLU A 69 -9.373 12.459 -9.024 1.00 33.31 H new ATOM 1059 N ASN A 70 -7.909 12.781 -12.285 1.00 12.20 N ATOM 1060 CA ASN A 70 -8.666 13.232 -13.441 1.00 10.35 C ATOM 1061 C ASN A 70 -7.713 13.444 -14.618 1.00 50.13 C ATOM 1062 O ASN A 70 -7.187 14.539 -14.807 1.00 4.21 O ATOM 1063 CB ASN A 70 -9.365 14.563 -13.154 1.00 54.31 C ATOM 1064 CG ASN A 70 -10.557 14.365 -12.215 1.00 33.25 C ATOM 1065 OD1 ASN A 70 -11.186 13.320 -12.179 1.00 62.01 O ATOM 1066 ND2 ASN A 70 -10.832 15.424 -11.458 1.00 64.01 N ATOM 0 H ASN A 70 -7.037 13.284 -12.123 1.00 12.20 H new ATOM 0 HA ASN A 70 -9.413 12.473 -13.673 1.00 10.35 H new ATOM 0 HB2 ASN A 70 -8.657 15.261 -12.707 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -9.704 15.009 -14.089 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -11.609 15.391 -10.798 1.00 64.01 H new ATOM 0 HD22 ASN A 70 -10.266 16.269 -11.537 1.00 64.01 H new ATOM 1073 N PRO A 71 -7.515 12.349 -15.401 1.00 2.03 N ATOM 1074 CA PRO A 71 -6.634 12.404 -16.555 1.00 62.33 C ATOM 1075 C PRO A 71 -7.295 13.154 -17.714 1.00 21.13 C ATOM 1076 O PRO A 71 -6.682 13.347 -18.762 1.00 13.34 O ATOM 1077 CB PRO A 71 -6.328 10.951 -16.885 1.00 51.50 C ATOM 1078 CG PRO A 71 -7.410 10.132 -16.202 1.00 20.32 C ATOM 1079 CD PRO A 71 -8.121 11.035 -15.206 1.00 43.43 C ATOM 0 HA PRO A 71 -5.715 12.956 -16.358 1.00 62.33 H new ATOM 0 HB2 PRO A 71 -6.334 10.785 -17.962 1.00 51.50 H new ATOM 0 HB3 PRO A 71 -5.339 10.669 -16.525 1.00 51.50 H new ATOM 0 HG2 PRO A 71 -8.116 9.744 -16.937 1.00 20.32 H new ATOM 0 HG3 PRO A 71 -6.974 9.272 -15.694 1.00 20.32 H new ATOM 0 HD2 PRO A 71 -9.195 11.062 -15.392 1.00 43.43 H new ATOM 0 HD3 PRO A 71 -7.984 10.683 -14.184 1.00 43.43 H new ATOM 1087 N LYS A 72 -8.536 13.556 -17.484 1.00 52.22 N ATOM 1088 CA LYS A 72 -9.287 14.282 -18.495 1.00 43.01 C ATOM 1089 C LYS A 72 -9.203 15.781 -18.208 1.00 54.30 C ATOM 1090 O LYS A 72 -9.212 16.596 -19.129 1.00 52.53 O ATOM 1091 CB LYS A 72 -10.719 13.750 -18.584 1.00 3.34 C ATOM 1092 CG LYS A 72 -11.645 14.511 -17.634 1.00 13.21 C ATOM 1093 CD LYS A 72 -13.092 14.035 -17.781 1.00 21.22 C ATOM 1094 CE LYS A 72 -13.296 12.685 -17.092 1.00 74.53 C ATOM 1095 NZ LYS A 72 -13.104 12.814 -15.630 1.00 65.43 N1+ ATOM 0 H LYS A 72 -9.041 13.393 -16.613 1.00 52.22 H new ATOM 0 HA LYS A 72 -8.852 14.122 -19.481 1.00 43.01 H new ATOM 0 HB2 LYS A 72 -11.083 13.845 -19.607 1.00 3.34 H new ATOM 0 HB3 LYS A 72 -10.732 12.688 -18.338 1.00 3.34 H new ATOM 0 HG2 LYS A 72 -11.314 14.368 -16.605 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -11.587 15.579 -17.842 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -13.767 14.774 -17.349 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -13.345 13.950 -18.838 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -14.298 12.311 -17.301 1.00 74.53 H new ATOM 0 HE3 LYS A 72 -12.593 11.955 -17.494 1.00 74.53 H new ATOM 0 HZ1 LYS A 72 -13.618 12.052 -15.144 1.00 65.43 H new ATOM 0 HZ2 LYS A 72 -12.091 12.746 -15.406 1.00 65.43 H new ATOM 0 HZ3 LYS A 72 -13.468 13.735 -15.312 1.00 65.43 H new ATOM 1108 N LYS A 73 -9.125 16.102 -16.924 1.00 54.43 N ATOM 1109 CA LYS A 73 -9.040 17.490 -16.504 1.00 14.10 C ATOM 1110 C LYS A 73 -7.576 17.933 -16.508 1.00 65.14 C ATOM 1111 O LYS A 73 -7.241 18.980 -17.061 1.00 73.42 O ATOM 1112 CB LYS A 73 -9.737 17.684 -15.155 1.00 44.31 C ATOM 1113 CG LYS A 73 -11.239 17.416 -15.269 1.00 44.45 C ATOM 1114 CD LYS A 73 -12.019 18.205 -14.216 1.00 21.13 C ATOM 1115 CE LYS A 73 -13.454 17.688 -14.096 1.00 32.30 C ATOM 1116 NZ LYS A 73 -14.174 17.853 -15.378 1.00 11.51 N1+ ATOM 0 H LYS A 73 -9.119 15.424 -16.162 1.00 54.43 H new ATOM 0 HA LYS A 73 -9.569 18.133 -17.207 1.00 14.10 H new ATOM 0 HB2 LYS A 73 -9.300 17.013 -14.416 1.00 44.31 H new ATOM 0 HB3 LYS A 73 -9.572 18.701 -14.799 1.00 44.31 H new ATOM 0 HG2 LYS A 73 -11.586 17.691 -16.265 1.00 44.45 H new ATOM 0 HG3 LYS A 73 -11.432 16.350 -15.147 1.00 44.45 H new ATOM 0 HD2 LYS A 73 -11.518 18.125 -13.251 1.00 21.13 H new ATOM 0 HD3 LYS A 73 -12.030 19.262 -14.483 1.00 21.13 H new ATOM 0 HE2 LYS A 73 -13.445 16.636 -13.810 1.00 32.30 H new ATOM 0 HE3 LYS A 73 -13.977 18.228 -13.307 1.00 32.30 H new ATOM 0 HZ1 LYS A 73 -15.188 17.674 -15.232 1.00 11.51 H new ATOM 0 HZ2 LYS A 73 -14.040 18.823 -15.729 1.00 11.51 H new ATOM 0 HZ3 LYS A 73 -13.800 17.178 -16.075 1.00 11.51 H new ATOM 1129 N TYR A 74 -6.742 17.112 -15.888 1.00 0.35 N ATOM 1130 CA TYR A 74 -5.320 17.405 -15.814 1.00 13.35 C ATOM 1131 C TYR A 74 -4.687 17.407 -17.207 1.00 21.32 C ATOM 1132 O TYR A 74 -3.839 18.245 -17.505 1.00 50.24 O ATOM 1133 CB TYR A 74 -4.700 16.279 -14.985 1.00 41.13 C ATOM 1134 CG TYR A 74 -3.266 16.559 -14.528 1.00 75.44 C ATOM 1135 CD1 TYR A 74 -3.024 17.520 -13.568 1.00 53.12 C ATOM 1136 CD2 TYR A 74 -2.217 15.850 -15.076 1.00 25.24 C ATOM 1137 CE1 TYR A 74 -1.676 17.783 -13.138 1.00 44.42 C ATOM 1138 CE2 TYR A 74 -0.868 16.113 -14.646 1.00 2.04 C ATOM 1139 CZ TYR A 74 -0.663 17.067 -13.698 1.00 54.11 C ATOM 1140 OH TYR A 74 0.610 17.317 -13.292 1.00 35.30 O ATOM 0 H TYR A 74 -7.023 16.244 -15.432 1.00 0.35 H new ATOM 0 HA TYR A 74 -5.153 18.388 -15.374 1.00 13.35 H new ATOM 0 HB2 TYR A 74 -5.322 16.103 -14.108 1.00 41.13 H new ATOM 0 HB3 TYR A 74 -4.710 15.361 -15.573 1.00 41.13 H new ATOM 0 HD1 TYR A 74 -3.846 18.075 -13.139 1.00 53.12 H new ATOM 0 HD2 TYR A 74 -2.407 15.098 -15.827 1.00 25.24 H new ATOM 0 HE1 TYR A 74 -1.473 18.532 -12.387 1.00 44.42 H new ATOM 0 HE2 TYR A 74 -0.038 15.565 -15.067 1.00 2.04 H new ATOM 0 HH TYR A 74 1.144 16.499 -13.367 1.00 35.30 H new ATOM 1150 N ILE A 75 -5.124 16.457 -18.020 1.00 53.34 N ATOM 1151 CA ILE A 75 -4.611 16.339 -19.374 1.00 45.04 C ATOM 1152 C ILE A 75 -5.781 16.340 -20.361 1.00 31.42 C ATOM 1153 O ILE A 75 -6.129 15.300 -20.918 1.00 1.32 O ATOM 1154 CB ILE A 75 -3.704 15.112 -19.499 1.00 12.32 C ATOM 1155 CG1 ILE A 75 -2.865 14.921 -18.233 1.00 74.51 C ATOM 1156 CG2 ILE A 75 -2.835 15.197 -20.755 1.00 35.11 C ATOM 1157 CD1 ILE A 75 -1.711 13.949 -18.483 1.00 44.21 C ATOM 0 H ILE A 75 -5.827 15.762 -17.768 1.00 53.34 H new ATOM 0 HA ILE A 75 -3.985 17.197 -19.619 1.00 45.04 H new ATOM 0 HB ILE A 75 -4.335 14.230 -19.605 1.00 12.32 H new ATOM 0 HG12 ILE A 75 -2.471 15.883 -17.905 1.00 74.51 H new ATOM 0 HG13 ILE A 75 -3.495 14.544 -17.428 1.00 74.51 H new ATOM 0 HG21 ILE A 75 -2.201 14.313 -20.819 1.00 35.11 H new ATOM 0 HG22 ILE A 75 -3.474 15.250 -21.637 1.00 35.11 H new ATOM 0 HG23 ILE A 75 -2.210 16.089 -20.706 1.00 35.11 H new ATOM 0 HD11 ILE A 75 -1.130 13.831 -17.568 1.00 44.21 H new ATOM 0 HD12 ILE A 75 -2.110 12.981 -18.787 1.00 44.21 H new ATOM 0 HD13 ILE A 75 -1.069 14.341 -19.272 1.00 44.21 H new ATOM 1169 N PRO A 76 -6.371 17.551 -20.551 1.00 61.33 N ATOM 1170 CA PRO A 76 -7.494 17.702 -21.460 1.00 71.30 C ATOM 1171 C PRO A 76 -7.030 17.661 -22.918 1.00 33.42 C ATOM 1172 O PRO A 76 -6.329 18.561 -23.375 1.00 1.33 O ATOM 1173 CB PRO A 76 -8.135 19.026 -21.078 1.00 24.03 C ATOM 1174 CG PRO A 76 -7.081 19.785 -20.288 1.00 10.34 C ATOM 1175 CD PRO A 76 -5.985 18.804 -19.907 1.00 71.25 C ATOM 0 HA PRO A 76 -8.214 16.888 -21.377 1.00 71.30 H new ATOM 0 HB2 PRO A 76 -8.437 19.584 -21.964 1.00 24.03 H new ATOM 0 HB3 PRO A 76 -9.033 18.868 -20.480 1.00 24.03 H new ATOM 0 HG2 PRO A 76 -6.672 20.601 -20.884 1.00 10.34 H new ATOM 0 HG3 PRO A 76 -7.521 20.231 -19.396 1.00 10.34 H new ATOM 0 HD2 PRO A 76 -5.010 19.144 -20.255 1.00 71.25 H new ATOM 0 HD3 PRO A 76 -5.915 18.689 -18.825 1.00 71.25 H new ATOM 1183 N GLY A 77 -7.440 16.606 -23.606 1.00 72.13 N ATOM 1184 CA GLY A 77 -7.075 16.435 -25.003 1.00 33.14 C ATOM 1185 C GLY A 77 -6.356 15.102 -25.223 1.00 34.12 C ATOM 1186 O GLY A 77 -6.099 14.713 -26.360 1.00 30.24 O ATOM 0 H GLY A 77 -8.021 15.861 -23.223 1.00 72.13 H new ATOM 0 HA2 GLY A 77 -7.970 16.476 -25.624 1.00 33.14 H new ATOM 0 HA3 GLY A 77 -6.431 17.256 -25.317 1.00 33.14 H new ATOM 1190 N THR A 78 -6.053 14.441 -24.115 1.00 72.54 N ATOM 1191 CA THR A 78 -5.370 13.160 -24.173 1.00 22.21 C ATOM 1192 C THR A 78 -6.345 12.052 -24.577 1.00 2.52 C ATOM 1193 O THR A 78 -7.522 12.096 -24.223 1.00 4.33 O ATOM 1194 CB THR A 78 -4.703 12.917 -22.817 1.00 14.31 C ATOM 1195 OG1 THR A 78 -4.034 11.670 -22.977 1.00 2.22 O ATOM 1196 CG2 THR A 78 -5.720 12.656 -21.703 1.00 64.23 C ATOM 0 H THR A 78 -6.268 14.768 -23.173 1.00 72.54 H new ATOM 0 HA THR A 78 -4.594 13.161 -24.938 1.00 22.21 H new ATOM 0 HB THR A 78 -4.090 13.779 -22.554 1.00 14.31 H new ATOM 0 HG1 THR A 78 -3.573 11.437 -22.144 1.00 2.22 H new ATOM 0 HG21 THR A 78 -5.195 12.490 -20.762 1.00 64.23 H new ATOM 0 HG22 THR A 78 -6.379 13.518 -21.603 1.00 64.23 H new ATOM 0 HG23 THR A 78 -6.311 11.774 -21.949 1.00 64.23 H new ATOM 1204 N LYS A 79 -5.819 11.084 -25.313 1.00 44.33 N ATOM 1205 CA LYS A 79 -6.628 9.967 -25.769 1.00 42.52 C ATOM 1206 C LYS A 79 -6.748 8.937 -24.644 1.00 41.14 C ATOM 1207 O LYS A 79 -7.606 8.057 -24.693 1.00 0.42 O ATOM 1208 CB LYS A 79 -6.064 9.392 -27.071 1.00 10.55 C ATOM 1209 CG LYS A 79 -4.704 8.732 -26.835 1.00 62.22 C ATOM 1210 CD LYS A 79 -3.914 8.622 -28.140 1.00 44.22 C ATOM 1211 CE LYS A 79 -2.947 9.799 -28.296 1.00 74.45 C ATOM 1212 NZ LYS A 79 -2.739 10.110 -29.728 1.00 73.00 N1+ ATOM 0 H LYS A 79 -4.842 11.050 -25.605 1.00 44.33 H new ATOM 0 HA LYS A 79 -7.638 10.301 -26.006 1.00 42.52 H new ATOM 0 HB2 LYS A 79 -6.761 8.661 -27.482 1.00 10.55 H new ATOM 0 HB3 LYS A 79 -5.963 10.187 -27.810 1.00 10.55 H new ATOM 0 HG2 LYS A 79 -4.135 9.313 -26.109 1.00 62.22 H new ATOM 0 HG3 LYS A 79 -4.847 7.740 -26.407 1.00 62.22 H new ATOM 0 HD2 LYS A 79 -3.357 7.685 -28.155 1.00 44.22 H new ATOM 0 HD3 LYS A 79 -4.602 8.597 -28.985 1.00 44.22 H new ATOM 0 HE2 LYS A 79 -3.343 10.674 -27.781 1.00 74.45 H new ATOM 0 HE3 LYS A 79 -1.993 9.558 -27.827 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 -2.081 10.910 -29.817 1.00 73.00 H new ATOM 0 HZ2 LYS A 79 -2.341 9.279 -30.209 1.00 73.00 H new ATOM 0 HZ3 LYS A 79 -3.649 10.360 -30.165 1.00 73.00 H new ATOM 1225 N MET A 80 -5.874 9.081 -23.659 1.00 72.20 N ATOM 1226 CA MET A 80 -5.872 8.173 -22.523 1.00 50.41 C ATOM 1227 C MET A 80 -7.217 8.203 -21.795 1.00 72.11 C ATOM 1228 O MET A 80 -7.385 8.936 -20.822 1.00 14.12 O ATOM 1229 CB MET A 80 -4.758 8.572 -21.554 1.00 3.55 C ATOM 1230 CG MET A 80 -4.831 7.748 -20.267 1.00 30.15 C ATOM 1231 SD MET A 80 -3.379 8.042 -19.271 1.00 1.13 S ATOM 1232 CE MET A 80 -4.105 7.991 -17.641 1.00 62.42 C ATOM 0 H MET A 80 -5.163 9.811 -23.623 1.00 72.20 H new ATOM 0 HA MET A 80 -5.702 7.161 -22.890 1.00 50.41 H new ATOM 0 HB2 MET A 80 -3.788 8.426 -22.029 1.00 3.55 H new ATOM 0 HB3 MET A 80 -4.840 9.633 -21.316 1.00 3.55 H new ATOM 0 HG2 MET A 80 -5.727 8.013 -19.706 1.00 30.15 H new ATOM 0 HG3 MET A 80 -4.908 6.688 -20.508 1.00 30.15 H new ATOM 0 HE1 MET A 80 -3.341 8.210 -16.895 1.00 62.42 H new ATOM 0 HE2 MET A 80 -4.901 8.733 -17.574 1.00 62.42 H new ATOM 0 HE3 MET A 80 -4.517 6.999 -17.457 1.00 62.42 H new ATOM 1242 N ILE A 81 -8.142 7.396 -22.295 1.00 13.21 N ATOM 1243 CA ILE A 81 -9.468 7.321 -21.704 1.00 23.44 C ATOM 1244 C ILE A 81 -9.419 6.424 -20.465 1.00 45.24 C ATOM 1245 O ILE A 81 -9.308 5.205 -20.582 1.00 72.32 O ATOM 1246 CB ILE A 81 -10.494 6.874 -22.747 1.00 15.12 C ATOM 1247 CG1 ILE A 81 -10.888 8.036 -23.662 1.00 34.32 C ATOM 1248 CG2 ILE A 81 -11.712 6.233 -22.078 1.00 72.31 C ATOM 1249 CD1 ILE A 81 -11.565 9.154 -22.866 1.00 54.13 C ATOM 0 H ILE A 81 -8.000 6.789 -23.102 1.00 13.21 H new ATOM 0 HA ILE A 81 -9.794 8.307 -21.372 1.00 23.44 H new ATOM 0 HB ILE A 81 -10.033 6.112 -23.375 1.00 15.12 H new ATOM 0 HG12 ILE A 81 -10.002 8.426 -24.163 1.00 34.32 H new ATOM 0 HG13 ILE A 81 -11.562 7.679 -24.440 1.00 34.32 H new ATOM 0 HG21 ILE A 81 -12.426 5.924 -22.842 1.00 72.31 H new ATOM 0 HG22 ILE A 81 -11.395 5.362 -21.504 1.00 72.31 H new ATOM 0 HG23 ILE A 81 -12.183 6.955 -21.412 1.00 72.31 H new ATOM 0 HD11 ILE A 81 -11.835 9.968 -23.539 1.00 54.13 H new ATOM 0 HD12 ILE A 81 -12.464 8.766 -22.386 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -10.879 9.525 -22.105 1.00 54.13 H new ATOM 1261 N PHE A 82 -9.503 7.063 -19.308 1.00 75.01 N ATOM 1262 CA PHE A 82 -9.471 6.338 -18.048 1.00 45.32 C ATOM 1263 C PHE A 82 -10.502 6.896 -17.067 1.00 15.33 C ATOM 1264 O PHE A 82 -10.448 8.071 -16.706 1.00 42.22 O ATOM 1265 CB PHE A 82 -8.071 6.525 -17.461 1.00 14.43 C ATOM 1266 CG PHE A 82 -7.789 5.655 -16.235 1.00 45.43 C ATOM 1267 CD1 PHE A 82 -8.272 4.385 -16.177 1.00 71.04 C ATOM 1268 CD2 PHE A 82 -7.053 6.150 -15.204 1.00 11.34 C ATOM 1269 CE1 PHE A 82 -8.010 3.577 -15.039 1.00 71.25 C ATOM 1270 CE2 PHE A 82 -6.791 5.342 -14.067 1.00 13.13 C ATOM 1271 CZ PHE A 82 -7.275 4.073 -14.008 1.00 22.42 C ATOM 0 H PHE A 82 -9.593 8.075 -19.216 1.00 75.01 H new ATOM 0 HA PHE A 82 -9.704 5.287 -18.218 1.00 45.32 H new ATOM 0 HB2 PHE A 82 -7.333 6.300 -18.231 1.00 14.43 H new ATOM 0 HB3 PHE A 82 -7.939 7.572 -17.189 1.00 14.43 H new ATOM 0 HD1 PHE A 82 -8.855 3.991 -16.996 1.00 71.04 H new ATOM 0 HD2 PHE A 82 -6.668 7.158 -15.250 1.00 11.34 H new ATOM 0 HE1 PHE A 82 -8.394 2.569 -14.992 1.00 71.25 H new ATOM 0 HE2 PHE A 82 -6.207 5.735 -13.248 1.00 13.13 H new ATOM 0 HZ PHE A 82 -7.076 3.459 -13.142 1.00 22.42 H new ATOM 1281 N VAL A 83 -11.419 6.029 -16.662 1.00 43.41 N ATOM 1282 CA VAL A 83 -12.461 6.421 -15.729 1.00 44.03 C ATOM 1283 C VAL A 83 -11.818 6.981 -14.459 1.00 4.21 C ATOM 1284 O VAL A 83 -12.468 7.685 -13.689 1.00 54.11 O ATOM 1285 CB VAL A 83 -13.392 5.238 -15.457 1.00 25.21 C ATOM 1286 CG1 VAL A 83 -14.667 5.695 -14.746 1.00 45.31 C ATOM 1287 CG2 VAL A 83 -13.721 4.491 -16.751 1.00 35.41 C ATOM 0 H VAL A 83 -11.461 5.056 -16.964 1.00 43.41 H new ATOM 0 HA VAL A 83 -13.079 7.211 -16.156 1.00 44.03 H new ATOM 0 HB VAL A 83 -12.871 4.546 -14.795 1.00 25.21 H new ATOM 0 HG11 VAL A 83 -15.311 4.834 -14.565 1.00 45.31 H new ATOM 0 HG12 VAL A 83 -14.407 6.160 -13.795 1.00 45.31 H new ATOM 0 HG13 VAL A 83 -15.193 6.417 -15.371 1.00 45.31 H new ATOM 0 HG21 VAL A 83 -14.384 3.655 -16.530 1.00 35.41 H new ATOM 0 HG22 VAL A 83 -14.213 5.170 -17.448 1.00 35.41 H new ATOM 0 HG23 VAL A 83 -12.801 4.116 -17.198 1.00 35.41 H new ATOM 1297 N GLY A 84 -10.549 6.648 -14.281 1.00 4.04 N ATOM 1298 CA GLY A 84 -9.810 7.110 -13.117 1.00 52.24 C ATOM 1299 C GLY A 84 -9.870 6.081 -11.986 1.00 70.24 C ATOM 1300 O GLY A 84 -10.472 5.019 -12.140 1.00 15.11 O ATOM 0 H GLY A 84 -10.013 6.064 -14.923 1.00 4.04 H new ATOM 0 HA2 GLY A 84 -8.771 7.295 -13.391 1.00 52.24 H new ATOM 0 HA3 GLY A 84 -10.222 8.059 -12.773 1.00 52.24 H new ATOM 1304 N ILE A 85 -9.238 6.432 -10.877 1.00 33.41 N ATOM 1305 CA ILE A 85 -9.212 5.552 -9.719 1.00 44.34 C ATOM 1306 C ILE A 85 -9.860 6.262 -8.530 1.00 34.42 C ATOM 1307 O ILE A 85 -9.237 7.109 -7.894 1.00 13.31 O ATOM 1308 CB ILE A 85 -7.786 5.069 -9.446 1.00 61.04 C ATOM 1309 CG1 ILE A 85 -7.322 4.089 -10.526 1.00 21.04 C ATOM 1310 CG2 ILE A 85 -7.669 4.471 -8.042 1.00 53.31 C ATOM 1311 CD1 ILE A 85 -5.796 4.081 -10.638 1.00 62.43 C ATOM 0 H ILE A 85 -8.740 7.313 -10.754 1.00 33.41 H new ATOM 0 HA ILE A 85 -9.797 4.652 -9.910 1.00 44.34 H new ATOM 0 HB ILE A 85 -7.120 5.931 -9.486 1.00 61.04 H new ATOM 0 HG12 ILE A 85 -7.678 3.086 -10.290 1.00 21.04 H new ATOM 0 HG13 ILE A 85 -7.759 4.365 -11.485 1.00 21.04 H new ATOM 0 HG21 ILE A 85 -6.646 4.135 -7.874 1.00 53.31 H new ATOM 0 HG22 ILE A 85 -7.929 5.227 -7.302 1.00 53.31 H new ATOM 0 HG23 ILE A 85 -8.348 3.624 -7.950 1.00 53.31 H new ATOM 0 HD11 ILE A 85 -5.492 3.377 -11.412 1.00 62.43 H new ATOM 0 HD12 ILE A 85 -5.445 5.080 -10.898 1.00 62.43 H new ATOM 0 HD13 ILE A 85 -5.363 3.781 -9.684 1.00 62.43 H new ATOM 1323 N LYS A 86 -11.104 5.888 -8.264 1.00 65.04 N ATOM 1324 CA LYS A 86 -11.844 6.478 -7.162 1.00 4.54 C ATOM 1325 C LYS A 86 -11.095 6.218 -5.854 1.00 23.40 C ATOM 1326 O LYS A 86 -10.748 7.154 -5.135 1.00 42.24 O ATOM 1327 CB LYS A 86 -13.288 5.974 -7.155 1.00 51.42 C ATOM 1328 CG LYS A 86 -13.337 4.453 -6.993 1.00 2.32 C ATOM 1329 CD LYS A 86 -14.672 3.892 -7.486 1.00 43.02 C ATOM 1330 CE LYS A 86 -15.074 2.652 -6.687 1.00 63.30 C ATOM 1331 NZ LYS A 86 -16.448 2.230 -7.039 1.00 13.13 N1+ ATOM 0 H LYS A 86 -11.617 5.183 -8.793 1.00 65.04 H new ATOM 0 HA LYS A 86 -11.910 7.559 -7.283 1.00 4.54 H new ATOM 0 HB2 LYS A 86 -13.838 6.448 -6.342 1.00 51.42 H new ATOM 0 HB3 LYS A 86 -13.782 6.261 -8.084 1.00 51.42 H new ATOM 0 HG2 LYS A 86 -12.519 3.998 -7.551 1.00 2.32 H new ATOM 0 HG3 LYS A 86 -13.193 4.190 -5.945 1.00 2.32 H new ATOM 0 HD2 LYS A 86 -15.446 4.654 -7.396 1.00 43.02 H new ATOM 0 HD3 LYS A 86 -14.596 3.639 -8.543 1.00 43.02 H new ATOM 0 HE2 LYS A 86 -14.375 1.840 -6.889 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -15.015 2.865 -5.620 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -16.704 1.387 -6.487 1.00 13.13 H new ATOM 0 HZ2 LYS A 86 -17.113 3.000 -6.824 1.00 13.13 H new ATOM 0 HZ3 LYS A 86 -16.493 2.006 -8.054 1.00 13.13 H new ATOM 1344 N LYS A 87 -10.867 4.940 -5.584 1.00 14.22 N ATOM 1345 CA LYS A 87 -10.165 4.544 -4.374 1.00 74.32 C ATOM 1346 C LYS A 87 -8.741 5.102 -4.410 1.00 52.11 C ATOM 1347 O LYS A 87 -7.983 4.821 -5.336 1.00 61.33 O ATOM 1348 CB LYS A 87 -10.227 3.026 -4.193 1.00 24.34 C ATOM 1349 CG LYS A 87 -11.676 2.536 -4.154 1.00 3.32 C ATOM 1350 CD LYS A 87 -12.483 3.296 -3.101 1.00 34.24 C ATOM 1351 CE LYS A 87 -13.694 2.479 -2.642 1.00 64.11 C ATOM 1352 NZ LYS A 87 -14.123 2.903 -1.291 1.00 73.24 N1+ ATOM 0 H LYS A 87 -11.156 4.166 -6.182 1.00 14.22 H new ATOM 0 HA LYS A 87 -10.651 4.967 -3.495 1.00 74.32 H new ATOM 0 HB2 LYS A 87 -9.696 2.537 -5.010 1.00 24.34 H new ATOM 0 HB3 LYS A 87 -9.720 2.745 -3.270 1.00 24.34 H new ATOM 0 HG2 LYS A 87 -12.135 2.668 -5.134 1.00 3.32 H new ATOM 0 HG3 LYS A 87 -11.697 1.469 -3.933 1.00 3.32 H new ATOM 0 HD2 LYS A 87 -11.848 3.523 -2.245 1.00 34.24 H new ATOM 0 HD3 LYS A 87 -12.817 4.249 -3.512 1.00 34.24 H new ATOM 0 HE2 LYS A 87 -14.515 2.607 -3.348 1.00 64.11 H new ATOM 0 HE3 LYS A 87 -13.443 1.418 -2.634 1.00 64.11 H new ATOM 0 HZ1 LYS A 87 -14.945 2.339 -0.995 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -13.343 2.758 -0.618 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -14.382 3.910 -1.309 1.00 73.24 H new ATOM 1365 N LYS A 88 -8.422 5.884 -3.389 1.00 3.10 N ATOM 1366 CA LYS A 88 -7.102 6.485 -3.291 1.00 50.44 C ATOM 1367 C LYS A 88 -6.085 5.411 -2.902 1.00 62.35 C ATOM 1368 O LYS A 88 -4.927 5.468 -3.313 1.00 5.43 O ATOM 1369 CB LYS A 88 -7.127 7.682 -2.340 1.00 32.15 C ATOM 1370 CG LYS A 88 -5.721 8.255 -2.142 1.00 53.14 C ATOM 1371 CD LYS A 88 -5.678 9.195 -0.936 1.00 21.14 C ATOM 1372 CE LYS A 88 -6.499 10.459 -1.196 1.00 11.43 C ATOM 1373 NZ LYS A 88 -6.264 11.458 -0.129 1.00 32.04 N1+ ATOM 0 H LYS A 88 -9.054 6.115 -2.623 1.00 3.10 H new ATOM 0 HA LYS A 88 -6.792 6.883 -4.257 1.00 50.44 H new ATOM 0 HB2 LYS A 88 -7.785 8.454 -2.739 1.00 32.15 H new ATOM 0 HB3 LYS A 88 -7.538 7.378 -1.378 1.00 32.15 H new ATOM 0 HG2 LYS A 88 -5.010 7.442 -1.999 1.00 53.14 H new ATOM 0 HG3 LYS A 88 -5.414 8.793 -3.039 1.00 53.14 H new ATOM 0 HD2 LYS A 88 -6.064 8.681 -0.056 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -4.645 9.466 -0.719 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -6.230 10.882 -2.164 1.00 11.43 H new ATOM 0 HE3 LYS A 88 -7.559 10.209 -1.241 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 -6.829 12.310 -0.321 1.00 32.04 H new ATOM 0 HZ2 LYS A 88 -6.543 11.057 0.789 1.00 32.04 H new ATOM 0 HZ3 LYS A 88 -5.255 11.710 -0.105 1.00 32.04 H new ATOM 1386 N GLU A 89 -6.554 4.454 -2.114 1.00 24.00 N ATOM 1387 CA GLU A 89 -5.700 3.368 -1.665 1.00 53.30 C ATOM 1388 C GLU A 89 -5.363 2.439 -2.833 1.00 33.12 C ATOM 1389 O GLU A 89 -4.555 1.524 -2.690 1.00 21.33 O ATOM 1390 CB GLU A 89 -6.355 2.593 -0.520 1.00 23.22 C ATOM 1391 CG GLU A 89 -6.735 3.530 0.629 1.00 22.23 C ATOM 1392 CD GLU A 89 -6.896 2.754 1.939 1.00 40.42 C ATOM 1393 OE1 GLU A 89 -7.866 1.999 2.096 1.00 70.43 O ATOM 1394 OE2 GLU A 89 -5.966 2.957 2.810 1.00 40.44 O1- ATOM 0 H GLU A 89 -7.515 4.409 -1.775 1.00 24.00 H new ATOM 0 HA GLU A 89 -4.771 3.795 -1.287 1.00 53.30 H new ATOM 0 HB2 GLU A 89 -7.245 2.080 -0.885 1.00 23.22 H new ATOM 0 HB3 GLU A 89 -5.671 1.826 -0.157 1.00 23.22 H new ATOM 0 HG2 GLU A 89 -5.968 4.296 0.747 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -7.666 4.045 0.390 1.00 22.23 H new ATOM 1402 N GLU A 90 -6.000 2.707 -3.963 1.00 72.24 N ATOM 1403 CA GLU A 90 -5.779 1.906 -5.156 1.00 0.45 C ATOM 1404 C GLU A 90 -4.633 2.493 -5.982 1.00 42.01 C ATOM 1405 O GLU A 90 -3.531 1.946 -5.999 1.00 73.10 O ATOM 1406 CB GLU A 90 -7.057 1.799 -5.989 1.00 22.42 C ATOM 1407 CG GLU A 90 -7.884 0.581 -5.570 1.00 43.23 C ATOM 1408 CD GLU A 90 -7.095 -0.713 -5.775 1.00 20.55 C ATOM 1409 OE1 GLU A 90 -7.154 -1.311 -6.859 1.00 5.43 O ATOM 1410 OE2 GLU A 90 -6.401 -1.095 -4.756 1.00 12.21 O1- ATOM 0 H GLU A 90 -6.670 3.468 -4.078 1.00 72.24 H new ATOM 0 HA GLU A 90 -5.501 0.898 -4.848 1.00 0.45 H new ATOM 0 HB2 GLU A 90 -7.651 2.705 -5.869 1.00 22.42 H new ATOM 0 HB3 GLU A 90 -6.801 1.723 -7.046 1.00 22.42 H new ATOM 0 HG2 GLU A 90 -8.171 0.674 -4.523 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -8.806 0.545 -6.151 1.00 43.23 H new ATOM 1418 N ARG A 91 -4.932 3.598 -6.650 1.00 31.04 N ATOM 1419 CA ARG A 91 -3.940 4.264 -7.477 1.00 55.13 C ATOM 1420 C ARG A 91 -2.681 4.562 -6.661 1.00 34.33 C ATOM 1421 O ARG A 91 -1.566 4.432 -7.162 1.00 24.42 O ATOM 1422 CB ARG A 91 -4.490 5.572 -8.050 1.00 21.11 C ATOM 1423 CG ARG A 91 -4.538 6.663 -6.978 1.00 71.31 C ATOM 1424 CD ARG A 91 -5.099 7.967 -7.548 1.00 2.23 C ATOM 1425 NE ARG A 91 -5.385 8.917 -6.451 1.00 24.12 N ATOM 1426 CZ ARG A 91 -6.552 8.963 -5.774 1.00 72.21 C ATOM 1427 NH1 ARG A 91 -7.554 8.110 -6.078 1.00 52.41 N ATOM 1428 NH2 ARG A 91 -6.699 9.853 -4.811 1.00 72.51 N1+ ATOM 0 H ARG A 91 -5.847 4.049 -6.635 1.00 31.04 H new ATOM 0 HA ARG A 91 -3.692 3.595 -8.301 1.00 55.13 H new ATOM 0 HB2 ARG A 91 -3.865 5.900 -8.881 1.00 21.11 H new ATOM 0 HB3 ARG A 91 -5.490 5.406 -8.450 1.00 21.11 H new ATOM 0 HG2 ARG A 91 -5.156 6.331 -6.144 1.00 71.31 H new ATOM 0 HG3 ARG A 91 -3.536 6.835 -6.584 1.00 71.31 H new ATOM 0 HD2 ARG A 91 -4.384 8.407 -8.244 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -6.010 7.765 -8.112 1.00 2.23 H new ATOM 0 HE ARG A 91 -4.654 9.579 -6.190 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -7.432 7.425 -6.824 1.00 52.41 H new ATOM 0 HH12 ARG A 91 -8.433 8.151 -5.562 1.00 52.41 H new ATOM 0 HH21 ARG A 91 -5.937 10.493 -4.588 1.00 72.51 H new ATOM 0 HH22 ARG A 91 -7.575 9.901 -4.290 1.00 72.51 H new ATOM 1441 N ALA A 92 -2.902 4.957 -5.415 1.00 44.03 N ATOM 1442 CA ALA A 92 -1.800 5.275 -4.524 1.00 4.24 C ATOM 1443 C ALA A 92 -0.755 4.159 -4.594 1.00 44.10 C ATOM 1444 O ALA A 92 0.445 4.429 -4.612 1.00 25.42 O ATOM 1445 CB ALA A 92 -2.334 5.485 -3.106 1.00 24.15 C ATOM 0 H ALA A 92 -3.829 5.064 -5.002 1.00 44.03 H new ATOM 0 HA ALA A 92 -1.314 6.202 -4.830 1.00 4.24 H new ATOM 0 HB1 ALA A 92 -1.507 5.724 -2.437 1.00 24.15 H new ATOM 0 HB2 ALA A 92 -3.050 6.307 -3.105 1.00 24.15 H new ATOM 0 HB3 ALA A 92 -2.826 4.574 -2.764 1.00 24.15 H new ATOM 1451 N ASP A 93 -1.249 2.930 -4.633 1.00 13.32 N ATOM 1452 CA ASP A 93 -0.373 1.773 -4.700 1.00 41.32 C ATOM 1453 C ASP A 93 0.012 1.516 -6.159 1.00 30.23 C ATOM 1454 O ASP A 93 1.136 1.106 -6.444 1.00 20.11 O ATOM 1455 CB ASP A 93 -1.073 0.521 -4.168 1.00 51.12 C ATOM 1456 CG ASP A 93 -1.584 0.628 -2.731 1.00 14.42 C ATOM 1457 OD1 ASP A 93 -1.823 1.732 -2.218 1.00 11.21 O ATOM 1458 OD2 ASP A 93 -1.740 -0.498 -2.122 1.00 61.21 O1- ATOM 0 H ASP A 93 -2.245 2.711 -4.619 1.00 13.32 H new ATOM 0 HA ASP A 93 0.507 1.980 -4.091 1.00 41.32 H new ATOM 0 HB2 ASP A 93 -1.915 0.289 -4.821 1.00 51.12 H new ATOM 0 HB3 ASP A 93 -0.380 -0.318 -4.230 1.00 51.12 H new ATOM 1464 N LEU A 94 -0.942 1.767 -7.043 1.00 1.20 N ATOM 1465 CA LEU A 94 -0.716 1.568 -8.464 1.00 74.05 C ATOM 1466 C LEU A 94 0.572 2.280 -8.876 1.00 42.32 C ATOM 1467 O LEU A 94 1.305 1.797 -9.739 1.00 60.31 O ATOM 1468 CB LEU A 94 -1.944 2.002 -9.268 1.00 54.11 C ATOM 1469 CG LEU A 94 -1.990 1.540 -10.725 1.00 72.20 C ATOM 1470 CD1 LEU A 94 -1.465 0.109 -10.864 1.00 35.13 C ATOM 1471 CD2 LEU A 94 -3.398 1.692 -11.305 1.00 30.44 C ATOM 0 H LEU A 94 -1.873 2.106 -6.803 1.00 1.20 H new ATOM 0 HA LEU A 94 -0.579 0.509 -8.683 1.00 74.05 H new ATOM 0 HB2 LEU A 94 -2.835 1.630 -8.762 1.00 54.11 H new ATOM 0 HB3 LEU A 94 -1.998 3.091 -9.251 1.00 54.11 H new ATOM 0 HG LEU A 94 -1.330 2.183 -11.307 1.00 72.20 H new ATOM 0 HD11 LEU A 94 -1.509 -0.195 -11.910 1.00 35.13 H new ATOM 0 HD12 LEU A 94 -0.433 0.065 -10.516 1.00 35.13 H new ATOM 0 HD13 LEU A 94 -2.079 -0.564 -10.265 1.00 35.13 H new ATOM 0 HD21 LEU A 94 -3.403 1.356 -12.342 1.00 30.44 H new ATOM 0 HD22 LEU A 94 -4.097 1.089 -10.725 1.00 30.44 H new ATOM 0 HD23 LEU A 94 -3.699 2.739 -11.261 1.00 30.44 H new ATOM 1483 N ILE A 95 0.811 3.418 -8.242 1.00 14.42 N ATOM 1484 CA ILE A 95 1.998 4.204 -8.532 1.00 64.13 C ATOM 1485 C ILE A 95 3.210 3.551 -7.865 1.00 4.02 C ATOM 1486 O ILE A 95 4.231 3.322 -8.512 1.00 25.25 O ATOM 1487 CB ILE A 95 1.788 5.665 -8.131 1.00 34.32 C ATOM 1488 CG1 ILE A 95 0.528 6.237 -8.786 1.00 4.41 C ATOM 1489 CG2 ILE A 95 3.028 6.504 -8.442 1.00 33.12 C ATOM 1490 CD1 ILE A 95 0.230 7.643 -8.263 1.00 42.01 C ATOM 0 H ILE A 95 0.202 3.815 -7.527 1.00 14.42 H new ATOM 0 HA ILE A 95 2.192 4.219 -9.605 1.00 64.13 H new ATOM 0 HB ILE A 95 1.637 5.705 -7.052 1.00 34.32 H new ATOM 0 HG12 ILE A 95 0.658 6.267 -9.868 1.00 4.41 H new ATOM 0 HG13 ILE A 95 -0.320 5.583 -8.585 1.00 4.41 H new ATOM 0 HG21 ILE A 95 2.851 7.538 -8.147 1.00 33.12 H new ATOM 0 HG22 ILE A 95 3.882 6.110 -7.890 1.00 33.12 H new ATOM 0 HG23 ILE A 95 3.237 6.462 -9.511 1.00 33.12 H new ATOM 0 HD11 ILE A 95 -0.670 8.027 -8.744 1.00 42.01 H new ATOM 0 HD12 ILE A 95 0.077 7.605 -7.184 1.00 42.01 H new ATOM 0 HD13 ILE A 95 1.070 8.300 -8.488 1.00 42.01 H new ATOM 1502 N ALA A 96 3.058 3.270 -6.580 1.00 33.14 N ATOM 1503 CA ALA A 96 4.128 2.648 -5.817 1.00 12.15 C ATOM 1504 C ALA A 96 4.703 1.477 -6.615 1.00 53.11 C ATOM 1505 O ALA A 96 5.914 1.266 -6.629 1.00 25.00 O ATOM 1506 CB ALA A 96 3.595 2.217 -4.448 1.00 44.52 C ATOM 0 H ALA A 96 2.210 3.461 -6.047 1.00 33.14 H new ATOM 0 HA ALA A 96 4.938 3.356 -5.643 1.00 12.15 H new ATOM 0 HB1 ALA A 96 4.397 1.751 -3.876 1.00 44.52 H new ATOM 0 HB2 ALA A 96 3.226 3.090 -3.910 1.00 44.52 H new ATOM 0 HB3 ALA A 96 2.782 1.503 -4.582 1.00 44.52 H new ATOM 1512 N TYR A 97 3.806 0.745 -7.261 1.00 1.44 N ATOM 1513 CA TYR A 97 4.209 -0.399 -8.059 1.00 62.31 C ATOM 1514 C TYR A 97 5.207 0.013 -9.144 1.00 21.40 C ATOM 1515 O TYR A 97 6.209 -0.668 -9.361 1.00 22.13 O ATOM 1516 CB TYR A 97 2.935 -0.918 -8.727 1.00 54.22 C ATOM 1517 CG TYR A 97 3.183 -1.707 -10.014 1.00 33.23 C ATOM 1518 CD1 TYR A 97 3.856 -2.911 -9.965 1.00 70.44 C ATOM 1519 CD2 TYR A 97 2.733 -1.216 -11.223 1.00 73.34 C ATOM 1520 CE1 TYR A 97 4.090 -3.654 -11.176 1.00 61.32 C ATOM 1521 CE2 TYR A 97 2.967 -1.960 -12.433 1.00 72.22 C ATOM 1522 CZ TYR A 97 3.634 -3.143 -12.351 1.00 14.22 C ATOM 1523 OH TYR A 97 3.854 -3.845 -13.494 1.00 3.20 O ATOM 0 H TYR A 97 2.802 0.923 -7.247 1.00 1.44 H new ATOM 0 HA TYR A 97 4.690 -1.152 -7.434 1.00 62.31 H new ATOM 0 HB2 TYR A 97 2.400 -1.553 -8.021 1.00 54.22 H new ATOM 0 HB3 TYR A 97 2.285 -0.073 -8.951 1.00 54.22 H new ATOM 0 HD1 TYR A 97 4.207 -3.296 -9.019 1.00 70.44 H new ATOM 0 HD2 TYR A 97 2.206 -0.274 -11.261 1.00 73.34 H new ATOM 0 HE1 TYR A 97 4.616 -4.597 -11.152 1.00 61.32 H new ATOM 0 HE2 TYR A 97 2.620 -1.587 -13.386 1.00 72.22 H new ATOM 0 HH TYR A 97 3.472 -3.360 -14.255 1.00 3.20 H new ATOM 1533 N LEU A 98 4.900 1.124 -9.795 1.00 55.30 N ATOM 1534 CA LEU A 98 5.757 1.634 -10.851 1.00 10.43 C ATOM 1535 C LEU A 98 7.141 1.942 -10.274 1.00 50.54 C ATOM 1536 O LEU A 98 8.157 1.657 -10.906 1.00 71.33 O ATOM 1537 CB LEU A 98 5.099 2.830 -11.544 1.00 25.13 C ATOM 1538 CG LEU A 98 3.763 2.553 -12.235 1.00 4.11 C ATOM 1539 CD1 LEU A 98 3.031 3.858 -12.554 1.00 43.25 C ATOM 1540 CD2 LEU A 98 3.959 1.686 -13.481 1.00 11.03 C ATOM 0 H LEU A 98 4.069 1.686 -9.612 1.00 55.30 H new ATOM 0 HA LEU A 98 5.895 0.881 -11.627 1.00 10.43 H new ATOM 0 HB2 LEU A 98 4.946 3.615 -10.803 1.00 25.13 H new ATOM 0 HB3 LEU A 98 5.795 3.223 -12.286 1.00 25.13 H new ATOM 0 HG LEU A 98 3.133 1.989 -11.547 1.00 4.11 H new ATOM 0 HD11 LEU A 98 2.084 3.633 -13.045 1.00 43.25 H new ATOM 0 HD12 LEU A 98 2.840 4.403 -11.630 1.00 43.25 H new ATOM 0 HD13 LEU A 98 3.647 4.468 -13.215 1.00 43.25 H new ATOM 0 HD21 LEU A 98 2.994 1.504 -13.953 1.00 11.03 H new ATOM 0 HD22 LEU A 98 4.615 2.201 -14.183 1.00 11.03 H new ATOM 0 HD23 LEU A 98 4.408 0.735 -13.195 1.00 11.03 H new ATOM 1552 N LYS A 99 7.135 2.520 -9.083 1.00 73.11 N ATOM 1553 CA LYS A 99 8.377 2.869 -8.414 1.00 1.31 C ATOM 1554 C LYS A 99 9.150 1.592 -8.084 1.00 71.25 C ATOM 1555 O LYS A 99 10.325 1.648 -7.723 1.00 53.02 O ATOM 1556 CB LYS A 99 8.099 3.753 -7.197 1.00 31.34 C ATOM 1557 CG LYS A 99 8.163 5.235 -7.569 1.00 15.41 C ATOM 1558 CD LYS A 99 6.788 5.751 -8.001 1.00 1.10 C ATOM 1559 CE LYS A 99 6.682 7.263 -7.799 1.00 13.50 C ATOM 1560 NZ LYS A 99 5.287 7.647 -7.483 1.00 12.44 N1+ ATOM 0 H LYS A 99 6.290 2.756 -8.563 1.00 73.11 H new ATOM 0 HA LYS A 99 9.011 3.463 -9.072 1.00 1.31 H new ATOM 0 HB2 LYS A 99 7.115 3.519 -6.790 1.00 31.34 H new ATOM 0 HB3 LYS A 99 8.827 3.539 -6.414 1.00 31.34 H new ATOM 0 HG2 LYS A 99 8.521 5.813 -6.717 1.00 15.41 H new ATOM 0 HG3 LYS A 99 8.880 5.380 -8.377 1.00 15.41 H new ATOM 0 HD2 LYS A 99 6.617 5.508 -9.050 1.00 1.10 H new ATOM 0 HD3 LYS A 99 6.010 5.248 -7.426 1.00 1.10 H new ATOM 0 HE2 LYS A 99 7.343 7.575 -6.991 1.00 13.50 H new ATOM 0 HE3 LYS A 99 7.013 7.780 -8.700 1.00 13.50 H new ATOM 0 HZ1 LYS A 99 5.250 8.660 -7.249 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 4.680 7.459 -8.307 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 4.950 7.092 -6.671 1.00 12.44 H new ATOM 1573 N LYS A 100 8.460 0.469 -8.219 1.00 63.15 N ATOM 1574 CA LYS A 100 9.067 -0.821 -7.939 1.00 72.41 C ATOM 1575 C LYS A 100 9.141 -1.636 -9.232 1.00 64.54 C ATOM 1576 O LYS A 100 9.763 -2.697 -9.267 1.00 30.00 O ATOM 1577 CB LYS A 100 8.320 -1.531 -6.807 1.00 4.54 C ATOM 1578 CG LYS A 100 8.800 -2.976 -6.655 1.00 42.24 C ATOM 1579 CD LYS A 100 10.309 -3.030 -6.407 1.00 15.32 C ATOM 1580 CE LYS A 100 10.696 -4.306 -5.658 1.00 64.41 C ATOM 1581 NZ LYS A 100 10.487 -5.494 -6.517 1.00 13.11 N1+ ATOM 0 H LYS A 100 7.486 0.426 -8.519 1.00 63.15 H new ATOM 0 HA LYS A 100 10.089 -0.692 -7.583 1.00 72.41 H new ATOM 0 HB2 LYS A 100 8.473 -0.993 -5.872 1.00 4.54 H new ATOM 0 HB3 LYS A 100 7.249 -1.519 -7.010 1.00 4.54 H new ATOM 0 HG2 LYS A 100 8.275 -3.452 -5.827 1.00 42.24 H new ATOM 0 HG3 LYS A 100 8.555 -3.541 -7.555 1.00 42.24 H new ATOM 0 HD2 LYS A 100 10.839 -2.988 -7.358 1.00 15.32 H new ATOM 0 HD3 LYS A 100 10.618 -2.158 -5.831 1.00 15.32 H new ATOM 0 HE2 LYS A 100 11.740 -4.252 -5.350 1.00 64.41 H new ATOM 0 HE3 LYS A 100 10.100 -4.397 -4.750 1.00 64.41 H new ATOM 0 HZ1 LYS A 100 10.770 -6.351 -6.000 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 9.482 -5.563 -6.776 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 11.062 -5.404 -7.379 1.00 13.11 H new ATOM 1594 N ALA A 101 8.497 -1.110 -10.263 1.00 71.41 N ATOM 1595 CA ALA A 101 8.481 -1.776 -11.555 1.00 62.32 C ATOM 1596 C ALA A 101 9.479 -1.090 -12.489 1.00 15.30 C ATOM 1597 O ALA A 101 10.579 -1.594 -12.708 1.00 73.54 O ATOM 1598 CB ALA A 101 7.058 -1.770 -12.115 1.00 63.13 C ATOM 0 H ALA A 101 7.982 -0.230 -10.230 1.00 71.41 H new ATOM 0 HA ALA A 101 8.786 -2.817 -11.454 1.00 62.32 H new ATOM 0 HB1 ALA A 101 7.046 -2.269 -13.084 1.00 63.13 H new ATOM 0 HB2 ALA A 101 6.394 -2.295 -11.428 1.00 63.13 H new ATOM 0 HB3 ALA A 101 6.718 -0.741 -12.233 1.00 63.13 H new ATOM 1604 N THR A 102 9.059 0.052 -13.015 1.00 2.02 N ATOM 1605 CA THR A 102 9.903 0.814 -13.921 1.00 71.34 C ATOM 1606 C THR A 102 11.220 1.185 -13.238 1.00 12.43 C ATOM 1607 O THR A 102 12.182 1.566 -13.902 1.00 41.24 O ATOM 1608 CB THR A 102 9.104 2.026 -14.403 1.00 15.35 C ATOM 1609 OG1 THR A 102 10.089 2.886 -14.971 1.00 54.52 O ATOM 1610 CG2 THR A 102 8.522 2.842 -13.246 1.00 62.44 C ATOM 0 H THR A 102 8.146 0.468 -12.831 1.00 2.02 H new ATOM 0 HA THR A 102 10.182 0.223 -14.793 1.00 71.34 H new ATOM 0 HB THR A 102 8.297 1.693 -15.055 1.00 15.35 H new ATOM 0 HG1 THR A 102 10.941 2.407 -15.040 1.00 54.52 H new ATOM 0 HG21 THR A 102 7.965 3.690 -13.643 1.00 62.44 H new ATOM 0 HG22 THR A 102 7.855 2.213 -12.657 1.00 62.44 H new ATOM 0 HG23 THR A 102 9.332 3.204 -12.613 1.00 62.44 H new ATOM 1618 N ASN A 103 11.220 1.062 -11.918 1.00 4.21 N ATOM 1619 CA ASN A 103 12.404 1.381 -11.138 1.00 22.31 C ATOM 1620 C ASN A 103 13.420 0.245 -11.273 1.00 72.30 C ATOM 1621 O ASN A 103 14.473 0.419 -11.883 1.00 23.40 O ATOM 1622 CB ASN A 103 12.060 1.534 -9.655 1.00 0.14 C ATOM 1623 CG ASN A 103 13.323 1.765 -8.820 1.00 54.24 C ATOM 1624 OD1 ASN A 103 13.906 0.849 -8.266 1.00 3.22 O ATOM 1625 ND2 ASN A 103 13.708 3.037 -8.764 1.00 60.01 N ATOM 0 H ASN A 103 10.420 0.746 -11.370 1.00 4.21 H new ATOM 0 HA ASN A 103 12.813 2.319 -11.513 1.00 22.31 H new ATOM 0 HB2 ASN A 103 11.373 2.370 -9.522 1.00 0.14 H new ATOM 0 HB3 ASN A 103 11.546 0.640 -9.303 1.00 0.14 H new ATOM 0 HD21 ASN A 103 14.539 3.295 -8.232 1.00 60.01 H new ATOM 0 HD22 ASN A 103 13.172 3.754 -9.253 1.00 60.01 H new ATOM 1632 N GLU A 104 13.067 -0.893 -10.694 1.00 33.11 N ATOM 1633 CA GLU A 104 13.934 -2.058 -10.741 1.00 43.24 C ATOM 1634 C GLU A 104 14.535 -2.215 -12.139 1.00 2.51 C ATOM 1635 O GLU A 104 15.277 -3.161 -12.398 1.00 22.34 O ATOM 1636 CB GLU A 104 13.180 -3.322 -10.324 1.00 32.13 C ATOM 1637 CG GLU A 104 11.990 -3.581 -11.252 1.00 20.34 C ATOM 1638 CD GLU A 104 11.573 -5.053 -11.207 1.00 3.30 C ATOM 1639 OE1 GLU A 104 11.339 -5.662 -12.262 1.00 3.03 O ATOM 1640 OE2 GLU A 104 11.495 -5.563 -10.025 1.00 64.02 O1- ATOM 0 H GLU A 104 12.192 -1.033 -10.189 1.00 33.11 H new ATOM 0 HA GLU A 104 14.747 -1.910 -10.030 1.00 43.24 H new ATOM 0 HB2 GLU A 104 13.856 -4.177 -10.346 1.00 32.13 H new ATOM 0 HB3 GLU A 104 12.829 -3.219 -9.297 1.00 32.13 H new ATOM 0 HG2 GLU A 104 11.150 -2.952 -10.957 1.00 20.34 H new ATOM 0 HG3 GLU A 104 12.253 -3.304 -12.273 1.00 20.34 H new