USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 943 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 75 THR OG1 : rot 80:sc= 1.49 USER MOD Set 1.2: A 88 HIS : no HE2:sc= -0.867 X(o=0.63,f=0.38) USER MOD Set 2.1: A 31 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-0.28) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0859 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 160:sc= -0.161 USER MOD Single : A 13 MET CE :methyl 136:sc= -3.64 (180deg=-9.22!) USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0244) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.38! K(o=-3.4!,f=-0.35) USER MOD Single : A 35 LYS NZ :NH3+ 138:sc= -0.865 (180deg=-3.86!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 121:sc= 1.01 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -142:sc= 0.0176 USER MOD Single : A 56 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.021) USER MOD Single : A 59 THR OG1 : rot -179:sc= 2.04 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 50:sc= 0.542 USER MOD Single : A 70 LYS NZ :NH3+ -128:sc= 1.22 (180deg=-0.169) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 93:sc= 0.176 USER MOD Single : A 78 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.813 K(o=-0.81,f=-1.6) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.385 K(o=0.38,f=-3.2!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -126:sc= 0.733 USER MOD Single : A 110 MET CE :methyl -162:sc= -0.354 (180deg=-1.28) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 30:sc= -0.0039 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl 162:sc= -1.97 (180deg=-3.63!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0.28 K(o=0.28,f=-0.98) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.188 -13.374 -0.057 1.00 74.13 N ATOM 2 CA GLY A 1 -2.673 -12.098 -0.549 1.00 34.14 C ATOM 3 C GLY A 1 -1.679 -11.418 -1.469 1.00 1.51 C ATOM 4 O GLY A 1 -0.628 -11.967 -1.799 1.00 72.31 O ATOM 0 H1 GLY A 1 -2.895 -14.112 -0.250 1.00 74.13 H new ATOM 0 H2 GLY A 1 -1.297 -13.615 -0.536 1.00 74.13 H new ATOM 0 H3 GLY A 1 -2.024 -13.311 0.968 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -3.612 -12.250 -1.082 1.00 34.14 H new ATOM 0 HA3 GLY A 1 -2.888 -11.444 0.296 1.00 34.14 H new ATOM 8 N PRO A 2 -2.010 -10.192 -1.901 1.00 21.03 N ATOM 9 CA PRO A 2 -1.152 -9.409 -2.796 1.00 2.31 C ATOM 10 C PRO A 2 0.120 -8.929 -2.106 1.00 61.30 C ATOM 11 O PRO A 2 1.209 -8.985 -2.679 1.00 14.21 O ATOM 12 CB PRO A 2 -2.034 -8.218 -3.180 1.00 23.42 C ATOM 13 CG PRO A 2 -2.998 -8.080 -2.052 1.00 33.11 C ATOM 14 CD PRO A 2 -3.247 -9.475 -1.548 1.00 34.03 C ATOM 0 HA PRO A 2 -0.809 -9.995 -3.648 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -1.442 -7.312 -3.308 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -2.551 -8.396 -4.123 1.00 23.42 H new ATOM 0 HG2 PRO A 2 -2.589 -7.447 -1.264 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -3.925 -7.614 -2.386 1.00 33.11 H new ATOM 0 HD2 PRO A 2 -3.426 -9.488 -0.473 1.00 34.03 H new ATOM 0 HD3 PRO A 2 -4.120 -9.923 -2.022 1.00 34.03 H new ATOM 22 N THR A 3 -0.024 -8.455 -0.871 1.00 23.42 N ATOM 23 CA THR A 3 1.114 -7.965 -0.104 1.00 41.32 C ATOM 24 C THR A 3 1.283 -8.751 1.192 1.00 20.13 C ATOM 25 O THR A 3 0.457 -9.599 1.527 1.00 54.11 O ATOM 26 CB THR A 3 0.962 -6.470 0.232 1.00 33.42 C ATOM 27 OG1 THR A 3 -0.169 -6.272 1.088 1.00 11.12 O ATOM 28 CG2 THR A 3 0.797 -5.645 -1.035 1.00 11.31 C ATOM 0 H THR A 3 -0.917 -8.401 -0.382 1.00 23.42 H new ATOM 0 HA THR A 3 1.998 -8.102 -0.727 1.00 41.32 H new ATOM 0 HB THR A 3 1.866 -6.142 0.745 1.00 33.42 H new ATOM 0 HG1 THR A 3 -0.257 -5.319 1.298 1.00 11.12 H new ATOM 0 HG21 THR A 3 0.691 -4.592 -0.773 1.00 11.31 H new ATOM 0 HG22 THR A 3 1.673 -5.774 -1.670 1.00 11.31 H new ATOM 0 HG23 THR A 3 -0.092 -5.976 -1.572 1.00 11.31 H new ATOM 36 N GLY A 4 2.359 -8.462 1.918 1.00 1.33 N ATOM 37 CA GLY A 4 2.615 -9.150 3.170 1.00 1.34 C ATOM 38 C GLY A 4 3.593 -8.401 4.053 1.00 45.41 C ATOM 39 O GLY A 4 4.321 -7.525 3.584 1.00 60.11 O ATOM 0 H GLY A 4 3.057 -7.764 1.662 1.00 1.33 H new ATOM 0 HA2 GLY A 4 1.675 -9.284 3.706 1.00 1.34 H new ATOM 0 HA3 GLY A 4 3.008 -10.145 2.961 1.00 1.34 H new ATOM 43 N THR A 5 3.610 -8.744 5.338 1.00 12.54 N ATOM 44 CA THR A 5 4.504 -8.097 6.289 1.00 74.23 C ATOM 45 C THR A 5 5.089 -9.107 7.270 1.00 64.14 C ATOM 46 O THR A 5 4.754 -10.290 7.231 1.00 14.45 O ATOM 47 CB THR A 5 3.776 -6.993 7.081 1.00 71.41 C ATOM 48 OG1 THR A 5 2.539 -7.496 7.599 1.00 32.23 O ATOM 49 CG2 THR A 5 3.508 -5.782 6.200 1.00 53.45 C ATOM 0 H THR A 5 3.014 -9.466 5.743 1.00 12.54 H new ATOM 0 HA THR A 5 5.311 -7.649 5.709 1.00 74.23 H new ATOM 0 HB THR A 5 4.417 -6.686 7.907 1.00 71.41 H new ATOM 0 HG1 THR A 5 2.084 -6.789 8.102 1.00 32.23 H new ATOM 0 HG21 THR A 5 2.994 -5.016 6.781 1.00 53.45 H new ATOM 0 HG22 THR A 5 4.453 -5.384 5.831 1.00 53.45 H new ATOM 0 HG23 THR A 5 2.885 -6.077 5.356 1.00 53.45 H new ATOM 57 N GLY A 6 5.966 -8.632 8.148 1.00 24.13 N ATOM 58 CA GLY A 6 6.585 -9.508 9.127 1.00 71.40 C ATOM 59 C GLY A 6 8.064 -9.229 9.301 1.00 43.52 C ATOM 60 O GLY A 6 8.813 -9.190 8.327 1.00 52.21 O ATOM 0 H GLY A 6 6.259 -7.656 8.200 1.00 24.13 H new ATOM 0 HA2 GLY A 6 6.081 -9.390 10.086 1.00 71.40 H new ATOM 0 HA3 GLY A 6 6.448 -10.545 8.820 1.00 71.40 H new ATOM 64 N GLU A 7 8.485 -9.035 10.548 1.00 62.41 N ATOM 65 CA GLU A 7 9.885 -8.756 10.845 1.00 61.05 C ATOM 66 C GLU A 7 10.757 -9.974 10.551 1.00 62.33 C ATOM 67 O GLU A 7 10.405 -11.101 10.898 1.00 20.21 O ATOM 68 CB GLU A 7 10.046 -8.343 12.309 1.00 41.31 C ATOM 69 CG GLU A 7 9.893 -9.495 13.288 1.00 34.13 C ATOM 70 CD GLU A 7 9.863 -9.033 14.732 1.00 31.31 C ATOM 71 OE1 GLU A 7 10.632 -8.112 15.076 1.00 35.02 O1- ATOM 72 OE2 GLU A 7 9.071 -9.595 15.517 1.00 50.32 O ATOM 0 H GLU A 7 7.877 -9.066 11.367 1.00 62.41 H new ATOM 0 HA GLU A 7 10.209 -7.935 10.205 1.00 61.05 H new ATOM 0 HB2 GLU A 7 11.029 -7.891 12.444 1.00 41.31 H new ATOM 0 HB3 GLU A 7 9.307 -7.577 12.545 1.00 41.31 H new ATOM 0 HG2 GLU A 7 8.974 -10.037 13.065 1.00 34.13 H new ATOM 0 HG3 GLU A 7 10.717 -10.195 13.151 1.00 34.13 H new ATOM 79 N SER A 8 11.895 -9.737 9.907 1.00 11.13 N ATOM 80 CA SER A 8 12.816 -10.814 9.561 1.00 73.41 C ATOM 81 C SER A 8 14.219 -10.519 10.085 1.00 2.22 C ATOM 82 O SER A 8 14.579 -9.363 10.312 1.00 44.50 O ATOM 83 CB SER A 8 12.857 -11.011 8.045 1.00 62.10 C ATOM 84 OG SER A 8 13.624 -9.998 7.418 1.00 14.33 O ATOM 0 H SER A 8 12.202 -8.809 9.614 1.00 11.13 H new ATOM 0 HA SER A 8 12.457 -11.730 10.030 1.00 73.41 H new ATOM 0 HB2 SER A 8 13.281 -11.988 7.814 1.00 62.10 H new ATOM 0 HB3 SER A 8 11.842 -11.002 7.647 1.00 62.10 H new ATOM 0 HG SER A 8 13.635 -10.148 6.450 1.00 14.33 H new ATOM 90 N LYS A 9 15.006 -11.572 10.275 1.00 44.32 N ATOM 91 CA LYS A 9 16.369 -11.429 10.770 1.00 23.33 C ATOM 92 C LYS A 9 17.380 -11.609 9.642 1.00 33.34 C ATOM 93 O LYS A 9 18.375 -10.887 9.566 1.00 14.24 O ATOM 94 CB LYS A 9 16.640 -12.448 11.880 1.00 44.14 C ATOM 95 CG LYS A 9 15.710 -12.310 13.073 1.00 44.04 C ATOM 96 CD LYS A 9 16.035 -13.327 14.154 1.00 2.52 C ATOM 97 CE LYS A 9 15.676 -14.739 13.717 1.00 53.35 C ATOM 98 NZ LYS A 9 16.136 -15.757 14.702 1.00 32.34 N1+ ATOM 0 H LYS A 9 14.723 -12.535 10.093 1.00 44.32 H new ATOM 0 HA LYS A 9 16.478 -10.423 11.174 1.00 23.33 H new ATOM 0 HB2 LYS A 9 16.544 -13.453 11.470 1.00 44.14 H new ATOM 0 HB3 LYS A 9 17.670 -12.338 12.219 1.00 44.14 H new ATOM 0 HG2 LYS A 9 15.790 -11.303 13.483 1.00 44.04 H new ATOM 0 HG3 LYS A 9 14.678 -12.441 12.748 1.00 44.04 H new ATOM 0 HD2 LYS A 9 17.097 -13.278 14.393 1.00 2.52 H new ATOM 0 HD3 LYS A 9 15.491 -13.078 15.065 1.00 2.52 H new ATOM 0 HE2 LYS A 9 14.596 -14.817 13.591 1.00 53.35 H new ATOM 0 HE3 LYS A 9 16.126 -14.944 12.745 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 15.873 -16.706 14.369 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 17.169 -15.700 14.803 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 15.687 -15.577 15.623 1.00 32.34 H new ATOM 112 N CYS A 10 17.119 -12.575 8.769 1.00 72.52 N ATOM 113 CA CYS A 10 18.005 -12.849 7.644 1.00 50.34 C ATOM 114 C CYS A 10 18.297 -11.576 6.858 1.00 44.02 C ATOM 115 O CYS A 10 17.526 -10.616 6.876 1.00 44.02 O ATOM 116 CB CYS A 10 17.385 -13.901 6.722 1.00 33.40 C ATOM 117 SG CYS A 10 15.673 -13.552 6.253 1.00 22.45 S ATOM 0 H CYS A 10 16.301 -13.182 8.819 1.00 72.52 H new ATOM 0 HA CYS A 10 18.945 -13.233 8.041 1.00 50.34 H new ATOM 0 HB2 CYS A 10 17.990 -13.979 5.818 1.00 33.40 H new ATOM 0 HB3 CYS A 10 17.425 -14.871 7.217 1.00 33.40 H new ATOM 0 HG CYS A 10 15.373 -14.219 5.178 1.00 22.45 H new ATOM 123 N PRO A 11 19.438 -11.563 6.151 1.00 41.21 N ATOM 124 CA PRO A 11 19.858 -10.413 5.347 1.00 32.44 C ATOM 125 C PRO A 11 18.979 -10.213 4.117 1.00 33.11 C ATOM 126 O PRO A 11 18.830 -9.094 3.622 1.00 40.40 O ATOM 127 CB PRO A 11 21.286 -10.774 4.930 1.00 52.53 C ATOM 128 CG PRO A 11 21.327 -12.262 4.970 1.00 50.33 C ATOM 129 CD PRO A 11 20.403 -12.673 6.083 1.00 12.12 C ATOM 0 HA PRO A 11 19.785 -9.479 5.904 1.00 32.44 H new ATOM 0 HB2 PRO A 11 21.514 -10.398 3.933 1.00 52.53 H new ATOM 0 HB3 PRO A 11 22.019 -10.339 5.610 1.00 52.53 H new ATOM 0 HG2 PRO A 11 21.005 -12.687 4.019 1.00 50.33 H new ATOM 0 HG3 PRO A 11 22.340 -12.620 5.152 1.00 50.33 H new ATOM 0 HD2 PRO A 11 19.911 -13.621 5.867 1.00 12.12 H new ATOM 0 HD3 PRO A 11 20.938 -12.799 7.024 1.00 12.12 H new ATOM 137 N LEU A 12 18.398 -11.303 3.627 1.00 24.44 N ATOM 138 CA LEU A 12 17.532 -11.247 2.455 1.00 13.33 C ATOM 139 C LEU A 12 16.406 -12.270 2.560 1.00 62.23 C ATOM 140 O LEU A 12 16.652 -13.464 2.727 1.00 61.54 O ATOM 141 CB LEU A 12 18.346 -11.498 1.184 1.00 1.41 C ATOM 142 CG LEU A 12 17.795 -10.874 -0.100 1.00 23.13 C ATOM 143 CD1 LEU A 12 18.930 -10.492 -1.036 1.00 43.24 C ATOM 144 CD2 LEU A 12 16.833 -11.832 -0.788 1.00 3.34 C ATOM 0 H LEU A 12 18.511 -12.236 4.023 1.00 24.44 H new ATOM 0 HA LEU A 12 17.090 -10.252 2.407 1.00 13.33 H new ATOM 0 HB2 LEU A 12 19.356 -11.121 1.343 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.427 -12.575 1.035 1.00 1.41 H new ATOM 0 HG LEU A 12 17.248 -9.969 0.164 1.00 23.13 H new ATOM 0 HD11 LEU A 12 18.520 -10.050 -1.944 1.00 43.24 H new ATOM 0 HD12 LEU A 12 19.581 -9.770 -0.543 1.00 43.24 H new ATOM 0 HD13 LEU A 12 19.504 -11.382 -1.293 1.00 43.24 H new ATOM 0 HD21 LEU A 12 16.451 -11.372 -1.699 1.00 3.34 H new ATOM 0 HD22 LEU A 12 17.356 -12.755 -1.039 1.00 3.34 H new ATOM 0 HD23 LEU A 12 16.002 -12.056 -0.119 1.00 3.34 H new ATOM 156 N MET A 13 15.169 -11.793 2.461 1.00 42.14 N ATOM 157 CA MET A 13 14.004 -12.667 2.542 1.00 33.41 C ATOM 158 C MET A 13 13.495 -13.024 1.150 1.00 40.04 C ATOM 159 O MET A 13 13.420 -12.169 0.268 1.00 53.03 O ATOM 160 CB MET A 13 12.891 -11.995 3.349 1.00 72.22 C ATOM 161 CG MET A 13 11.867 -12.972 3.903 1.00 31.44 C ATOM 162 SD MET A 13 10.262 -12.206 4.192 1.00 1.33 S ATOM 163 CE MET A 13 9.224 -13.167 3.094 1.00 15.23 C ATOM 0 H MET A 13 14.948 -10.807 2.325 1.00 42.14 H new ATOM 0 HA MET A 13 14.304 -13.586 3.046 1.00 33.41 H new ATOM 0 HB2 MET A 13 13.336 -11.441 4.175 1.00 72.22 H new ATOM 0 HB3 MET A 13 12.382 -11.268 2.716 1.00 72.22 H new ATOM 0 HG2 MET A 13 11.749 -13.802 3.207 1.00 31.44 H new ATOM 0 HG3 MET A 13 12.239 -13.391 4.838 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.298 -13.430 3.606 1.00 15.23 H new ATOM 0 HE2 MET A 13 8.993 -12.580 2.205 1.00 15.23 H new ATOM 0 HE3 MET A 13 9.748 -14.077 2.801 1.00 15.23 H new ATOM 173 N VAL A 14 13.145 -14.292 0.960 1.00 0.34 N ATOM 174 CA VAL A 14 12.642 -14.762 -0.326 1.00 54.11 C ATOM 175 C VAL A 14 11.187 -15.204 -0.217 1.00 75.31 C ATOM 176 O VAL A 14 10.863 -16.141 0.513 1.00 44.51 O ATOM 177 CB VAL A 14 13.483 -15.934 -0.864 1.00 71.42 C ATOM 178 CG1 VAL A 14 13.041 -16.307 -2.271 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.963 -15.582 -0.838 1.00 54.20 C ATOM 0 H VAL A 14 13.200 -15.012 1.680 1.00 0.34 H new ATOM 0 HA VAL A 14 12.715 -13.924 -1.020 1.00 54.11 H new ATOM 0 HB VAL A 14 13.326 -16.798 -0.218 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.647 -17.137 -2.635 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.992 -16.602 -2.257 1.00 65.25 H new ATOM 0 HG13 VAL A 14 13.167 -15.449 -2.931 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.543 -16.421 -1.221 1.00 54.20 H new ATOM 0 HG22 VAL A 14 15.139 -14.704 -1.460 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.268 -15.368 0.186 1.00 54.20 H new ATOM 189 N LYS A 15 10.311 -14.522 -0.949 1.00 45.14 N ATOM 190 CA LYS A 15 8.889 -14.845 -0.938 1.00 34.42 C ATOM 191 C LYS A 15 8.471 -15.507 -2.247 1.00 3.44 C ATOM 192 O LYS A 15 8.492 -14.880 -3.306 1.00 33.44 O ATOM 193 CB LYS A 15 8.060 -13.580 -0.706 1.00 23.14 C ATOM 194 CG LYS A 15 6.608 -13.859 -0.357 1.00 20.51 C ATOM 195 CD LYS A 15 6.396 -13.914 1.146 1.00 21.44 C ATOM 196 CE LYS A 15 6.169 -12.526 1.728 1.00 61.00 C ATOM 197 NZ LYS A 15 4.739 -12.120 1.651 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.561 -13.742 -1.557 1.00 45.14 H new ATOM 0 HA LYS A 15 8.707 -15.546 -0.123 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.513 -13.001 0.099 1.00 23.14 H new ATOM 0 HB3 LYS A 15 8.097 -12.962 -1.603 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.974 -13.083 -0.786 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.301 -14.805 -0.803 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.539 -14.549 1.371 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.264 -14.371 1.621 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.496 -12.510 2.768 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.782 -11.802 1.191 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.644 -11.127 1.946 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.401 -12.224 0.673 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 4.172 -12.724 2.280 1.00 31.20 H new ATOM 211 N VAL A 16 8.089 -16.778 -2.166 1.00 43.13 N ATOM 212 CA VAL A 16 7.664 -17.525 -3.345 1.00 14.13 C ATOM 213 C VAL A 16 6.149 -17.690 -3.371 1.00 22.53 C ATOM 214 O VAL A 16 5.593 -18.529 -2.661 1.00 43.30 O ATOM 215 CB VAL A 16 8.323 -18.916 -3.396 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.910 -19.656 -4.658 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.837 -18.792 -3.313 1.00 0.34 C ATOM 0 H VAL A 16 8.065 -17.312 -1.297 1.00 43.13 H new ATOM 0 HA VAL A 16 7.980 -16.951 -4.216 1.00 14.13 H new ATOM 0 HB VAL A 16 7.981 -19.492 -2.536 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.385 -20.637 -4.677 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.827 -19.777 -4.671 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.221 -19.085 -5.533 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.286 -19.785 -3.350 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.200 -18.198 -4.152 1.00 0.34 H new ATOM 0 HG23 VAL A 16 10.111 -18.305 -2.377 1.00 0.34 H new ATOM 227 N LEU A 17 5.486 -16.888 -4.197 1.00 52.23 N ATOM 228 CA LEU A 17 4.033 -16.946 -4.319 1.00 52.32 C ATOM 229 C LEU A 17 3.622 -17.451 -5.697 1.00 63.31 C ATOM 230 O LEU A 17 4.387 -17.357 -6.657 1.00 71.44 O ATOM 231 CB LEU A 17 3.425 -15.565 -4.067 1.00 44.04 C ATOM 232 CG LEU A 17 2.757 -15.362 -2.707 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.337 -14.148 -2.002 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.250 -15.219 -2.870 1.00 53.44 C ATOM 0 H LEU A 17 5.931 -16.190 -4.792 1.00 52.23 H new ATOM 0 HA LEU A 17 3.658 -17.644 -3.570 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.212 -14.819 -4.178 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.687 -15.368 -4.845 1.00 44.04 H new ATOM 0 HG LEU A 17 2.954 -16.240 -2.092 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.849 -14.020 -1.036 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.407 -14.291 -1.852 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.172 -13.260 -2.612 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.790 -15.075 -1.892 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.033 -14.359 -3.503 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.847 -16.120 -3.331 1.00 53.44 H new ATOM 246 N ASP A 18 2.410 -17.987 -5.787 1.00 52.03 N ATOM 247 CA ASP A 18 1.894 -18.504 -7.050 1.00 1.53 C ATOM 248 C ASP A 18 0.966 -17.493 -7.714 1.00 31.30 C ATOM 249 O ASP A 18 0.066 -16.948 -7.076 1.00 2.31 O ATOM 250 CB ASP A 18 1.152 -19.822 -6.820 1.00 21.40 C ATOM 251 CG ASP A 18 1.168 -20.717 -8.044 1.00 31.11 C ATOM 252 OD1 ASP A 18 1.173 -20.179 -9.171 1.00 53.44 O ATOM 253 OD2 ASP A 18 1.173 -21.953 -7.875 1.00 31.41 O1- ATOM 0 H ASP A 18 1.766 -18.075 -5.001 1.00 52.03 H new ATOM 0 HA ASP A 18 2.740 -18.682 -7.714 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.606 -20.350 -5.982 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.120 -19.611 -6.542 1.00 21.40 H new ATOM 258 N ALA A 19 1.193 -17.245 -9.000 1.00 54.11 N ATOM 259 CA ALA A 19 0.376 -16.299 -9.751 1.00 4.04 C ATOM 260 C ALA A 19 -0.909 -16.954 -10.243 1.00 72.45 C ATOM 261 O ALA A 19 -1.909 -16.277 -10.487 1.00 54.10 O ATOM 262 CB ALA A 19 1.166 -15.734 -10.923 1.00 64.31 C ATOM 0 H ALA A 19 1.935 -17.686 -9.543 1.00 54.11 H new ATOM 0 HA ALA A 19 0.103 -15.482 -9.083 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.544 -15.029 -11.475 1.00 64.31 H new ATOM 0 HB2 ALA A 19 2.053 -15.221 -10.551 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.468 -16.547 -11.584 1.00 64.31 H new ATOM 268 N VAL A 20 -0.877 -18.275 -10.390 1.00 1.32 N ATOM 269 CA VAL A 20 -2.040 -19.021 -10.853 1.00 4.11 C ATOM 270 C VAL A 20 -2.968 -19.369 -9.695 1.00 34.21 C ATOM 271 O VAL A 20 -4.190 -19.361 -9.840 1.00 24.34 O ATOM 272 CB VAL A 20 -1.625 -20.319 -11.572 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.845 -21.174 -11.880 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.852 -20.001 -12.842 1.00 1.33 C ATOM 0 H VAL A 20 -0.058 -18.850 -10.195 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.568 -18.377 -11.556 1.00 4.11 H new ATOM 0 HB VAL A 20 -0.972 -20.887 -10.909 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.531 -22.086 -12.388 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.352 -21.432 -10.950 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.527 -20.617 -12.523 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.567 -20.930 -13.337 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.478 -19.411 -13.511 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.044 -19.434 -12.590 1.00 1.33 H new ATOM 284 N ARG A 21 -2.378 -19.675 -8.544 1.00 70.43 N ATOM 285 CA ARG A 21 -3.151 -20.027 -7.359 1.00 40.24 C ATOM 286 C ARG A 21 -3.372 -18.805 -6.471 1.00 25.13 C ATOM 287 O ARG A 21 -4.307 -18.766 -5.673 1.00 25.45 O ATOM 288 CB ARG A 21 -2.440 -21.125 -6.566 1.00 54.04 C ATOM 289 CG ARG A 21 -1.875 -22.235 -7.437 1.00 23.13 C ATOM 290 CD ARG A 21 -1.270 -23.349 -6.596 1.00 70.24 C ATOM 291 NE ARG A 21 -2.186 -23.810 -5.557 1.00 32.25 N ATOM 292 CZ ARG A 21 -3.231 -24.596 -5.793 1.00 13.33 C ATOM 293 NH1 ARG A 21 -3.489 -25.008 -7.027 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -4.019 -24.973 -4.794 1.00 42.11 N ATOM 0 H ARG A 21 -1.367 -19.686 -8.407 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.122 -20.397 -7.687 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.630 -20.679 -5.990 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.140 -21.556 -5.851 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.665 -22.642 -8.068 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.115 -21.826 -8.102 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -1.003 -24.186 -7.241 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.348 -22.995 -6.135 1.00 70.24 H new ATOM 0 HE ARG A 21 -2.014 -23.512 -4.597 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -2.885 -24.722 -7.797 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -4.292 -25.611 -7.206 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.823 -24.659 -3.843 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -4.821 -25.576 -4.977 1.00 42.11 H new ATOM 308 N GLY A 22 -2.502 -17.810 -6.617 1.00 14.01 N ATOM 309 CA GLY A 22 -2.619 -16.601 -5.821 1.00 71.33 C ATOM 310 C GLY A 22 -2.291 -16.835 -4.360 1.00 55.30 C ATOM 311 O GLY A 22 -2.742 -16.092 -3.489 1.00 35.44 O ATOM 0 H GLY A 22 -1.719 -17.819 -7.271 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -1.951 -15.839 -6.223 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.634 -16.211 -5.905 1.00 71.33 H new ATOM 315 N SER A 23 -1.504 -17.872 -4.090 1.00 52.31 N ATOM 316 CA SER A 23 -1.121 -18.205 -2.724 1.00 31.20 C ATOM 317 C SER A 23 0.350 -18.605 -2.654 1.00 73.43 C ATOM 318 O SER A 23 0.968 -18.969 -3.655 1.00 43.22 O ATOM 319 CB SER A 23 -1.996 -19.340 -2.188 1.00 51.44 C ATOM 320 OG SER A 23 -3.167 -18.833 -1.571 1.00 24.23 O ATOM 0 H SER A 23 -1.120 -18.496 -4.800 1.00 52.31 H new ATOM 0 HA SER A 23 -1.269 -17.319 -2.106 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.271 -20.008 -3.004 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.429 -19.932 -1.469 1.00 51.44 H new ATOM 0 HG SER A 23 -3.710 -19.578 -1.238 1.00 24.23 H new ATOM 326 N PRO A 24 0.924 -18.537 -1.443 1.00 13.40 N ATOM 327 CA PRO A 24 2.328 -18.889 -1.213 1.00 34.35 C ATOM 328 C PRO A 24 2.583 -20.386 -1.358 1.00 53.53 C ATOM 329 O PRO A 24 1.833 -21.206 -0.828 1.00 40.42 O ATOM 330 CB PRO A 24 2.573 -18.442 0.230 1.00 12.41 C ATOM 331 CG PRO A 24 1.228 -18.478 0.871 1.00 62.31 C ATOM 332 CD PRO A 24 0.247 -18.112 -0.207 1.00 53.31 C ATOM 0 HA PRO A 24 2.990 -18.417 -1.939 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.271 -19.107 0.737 1.00 12.41 H new ATOM 0 HB3 PRO A 24 3.003 -17.441 0.267 1.00 12.41 H new ATOM 0 HG2 PRO A 24 1.014 -19.468 1.274 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.173 -17.776 1.703 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.706 -18.625 -0.074 1.00 53.31 H new ATOM 0 HD3 PRO A 24 0.036 -17.043 -0.212 1.00 53.31 H new ATOM 340 N ALA A 25 3.644 -20.734 -2.078 1.00 24.51 N ATOM 341 CA ALA A 25 3.997 -22.132 -2.290 1.00 10.44 C ATOM 342 C ALA A 25 4.689 -22.716 -1.062 1.00 33.45 C ATOM 343 O ALA A 25 5.403 -22.012 -0.348 1.00 43.13 O ATOM 344 CB ALA A 25 4.888 -22.271 -3.516 1.00 61.41 C ATOM 0 H ALA A 25 4.274 -20.067 -2.524 1.00 24.51 H new ATOM 0 HA ALA A 25 3.077 -22.692 -2.457 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.144 -23.320 -3.663 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.359 -21.900 -4.394 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.800 -21.692 -3.371 1.00 61.41 H new ATOM 350 N ILE A 26 4.472 -24.005 -0.823 1.00 22.35 N ATOM 351 CA ILE A 26 5.075 -24.682 0.318 1.00 34.21 C ATOM 352 C ILE A 26 6.168 -25.646 -0.130 1.00 14.43 C ATOM 353 O ILE A 26 6.051 -26.293 -1.170 1.00 25.11 O ATOM 354 CB ILE A 26 4.023 -25.457 1.132 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.095 -24.486 1.866 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.703 -26.396 2.118 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.039 -25.175 2.701 1.00 11.52 C ATOM 0 H ILE A 26 3.883 -24.601 -1.404 1.00 22.35 H new ATOM 0 HA ILE A 26 5.513 -23.909 0.949 1.00 34.21 H new ATOM 0 HB ILE A 26 3.422 -26.054 0.446 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.693 -23.842 2.510 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.606 -23.841 1.136 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.946 -26.937 2.686 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.325 -27.107 1.574 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.325 -25.818 2.801 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.418 -24.426 3.192 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.417 -25.798 2.059 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.520 -25.798 3.455 1.00 11.52 H new ATOM 369 N ASN A 27 7.230 -25.738 0.665 1.00 12.42 N ATOM 370 CA ASN A 27 8.344 -26.625 0.350 1.00 73.32 C ATOM 371 C ASN A 27 8.960 -26.268 -0.999 1.00 13.34 C ATOM 372 O ASN A 27 9.154 -27.133 -1.853 1.00 65.22 O ATOM 373 CB ASN A 27 7.876 -28.082 0.342 1.00 73.52 C ATOM 374 CG ASN A 27 7.745 -28.655 1.740 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.029 -29.831 1.969 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.314 -27.826 2.682 1.00 31.42 N ATOM 0 H ASN A 27 7.342 -25.210 1.530 1.00 12.42 H new ATOM 0 HA ASN A 27 9.105 -26.499 1.120 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.914 -28.149 -0.167 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.582 -28.684 -0.230 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.206 -28.156 3.641 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.090 -26.859 2.447 1.00 31.42 H new ATOM 383 N VAL A 28 9.265 -24.988 -1.184 1.00 10.34 N ATOM 384 CA VAL A 28 9.860 -24.516 -2.429 1.00 3.15 C ATOM 385 C VAL A 28 11.382 -24.501 -2.339 1.00 50.12 C ATOM 386 O VAL A 28 11.972 -23.573 -1.787 1.00 52.30 O ATOM 387 CB VAL A 28 9.363 -23.104 -2.789 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.125 -22.558 -3.987 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.867 -23.118 -3.061 1.00 33.20 C ATOM 0 H VAL A 28 9.110 -24.259 -0.488 1.00 10.34 H new ATOM 0 HA VAL A 28 9.552 -25.211 -3.211 1.00 3.15 H new ATOM 0 HB VAL A 28 9.549 -22.446 -1.940 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.760 -21.559 -4.226 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.188 -22.508 -3.750 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.974 -23.214 -4.844 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.534 -22.111 -3.314 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.655 -23.790 -3.892 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.339 -23.463 -2.172 1.00 33.20 H new ATOM 399 N ALA A 29 12.012 -25.535 -2.886 1.00 21.11 N ATOM 400 CA ALA A 29 13.465 -25.639 -2.870 1.00 13.43 C ATOM 401 C ALA A 29 14.112 -24.393 -3.464 1.00 73.30 C ATOM 402 O ALA A 29 14.047 -24.163 -4.671 1.00 24.22 O ATOM 403 CB ALA A 29 13.915 -26.880 -3.627 1.00 1.22 C ATOM 0 H ALA A 29 11.538 -26.313 -3.346 1.00 21.11 H new ATOM 0 HA ALA A 29 13.786 -25.724 -1.832 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.003 -26.944 -3.606 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.490 -27.767 -3.157 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.575 -26.819 -4.661 1.00 1.22 H new ATOM 409 N VAL A 30 14.735 -23.589 -2.607 1.00 52.51 N ATOM 410 CA VAL A 30 15.394 -22.365 -3.048 1.00 62.05 C ATOM 411 C VAL A 30 16.878 -22.384 -2.699 1.00 64.44 C ATOM 412 O VAL A 30 17.273 -22.881 -1.644 1.00 3.33 O ATOM 413 CB VAL A 30 14.745 -21.120 -2.415 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.382 -19.851 -2.960 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.243 -21.119 -2.659 1.00 50.55 C ATOM 0 H VAL A 30 14.797 -23.763 -1.604 1.00 52.51 H new ATOM 0 HA VAL A 30 15.279 -22.315 -4.131 1.00 62.05 H new ATOM 0 HB VAL A 30 14.915 -21.151 -1.339 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.911 -18.982 -2.502 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.447 -19.850 -2.729 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.245 -19.810 -4.041 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.801 -20.232 -2.205 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.049 -21.112 -3.732 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.802 -22.012 -2.216 1.00 50.55 H new ATOM 425 N HIS A 31 17.697 -21.839 -3.594 1.00 4.33 N ATOM 426 CA HIS A 31 19.139 -21.792 -3.381 1.00 20.44 C ATOM 427 C HIS A 31 19.682 -20.390 -3.642 1.00 70.41 C ATOM 428 O HIS A 31 19.138 -19.646 -4.457 1.00 62.13 O ATOM 429 CB HIS A 31 19.844 -22.801 -4.287 1.00 42.03 C ATOM 430 CG HIS A 31 19.129 -24.113 -4.392 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.945 -24.777 -5.587 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.553 -24.886 -3.442 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.284 -25.900 -5.367 1.00 63.14 C ATOM 434 NE2 HIS A 31 18.034 -25.990 -4.073 1.00 23.04 N ATOM 0 H HIS A 31 17.387 -21.424 -4.473 1.00 4.33 H new ATOM 0 HA HIS A 31 19.335 -22.051 -2.341 1.00 20.44 H new ATOM 0 HB2 HIS A 31 19.947 -22.372 -5.284 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.851 -22.975 -3.909 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.510 -24.674 -2.384 1.00 21.01 H new ATOM 0 HE1 HIS A 31 17.997 -26.622 -6.118 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.537 -26.755 -3.617 1.00 23.04 H new ATOM 442 N VAL A 32 20.756 -20.037 -2.944 1.00 33.14 N ATOM 443 CA VAL A 32 21.372 -18.724 -3.101 1.00 13.25 C ATOM 444 C VAL A 32 22.878 -18.845 -3.301 1.00 62.02 C ATOM 445 O VAL A 32 23.569 -19.501 -2.521 1.00 63.22 O ATOM 446 CB VAL A 32 21.098 -17.826 -1.881 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.480 -16.384 -2.182 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.637 -17.922 -1.466 1.00 30.45 C ATOM 0 H VAL A 32 21.218 -20.641 -2.264 1.00 33.14 H new ATOM 0 HA VAL A 32 20.926 -18.269 -3.985 1.00 13.25 H new ATOM 0 HB VAL A 32 21.712 -18.174 -1.051 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.279 -15.764 -1.308 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.541 -16.332 -2.428 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.894 -16.021 -3.026 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.461 -17.281 -0.602 1.00 30.45 H new ATOM 0 HG22 VAL A 32 19.002 -17.600 -2.292 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.400 -18.954 -1.206 1.00 30.45 H new ATOM 458 N PHE A 33 23.384 -18.206 -4.351 1.00 14.51 N ATOM 459 CA PHE A 33 24.810 -18.242 -4.654 1.00 10.33 C ATOM 460 C PHE A 33 25.376 -16.830 -4.773 1.00 51.44 C ATOM 461 O PHE A 33 24.634 -15.866 -4.963 1.00 61.13 O ATOM 462 CB PHE A 33 25.058 -19.014 -5.952 1.00 54.22 C ATOM 463 CG PHE A 33 24.659 -20.460 -5.874 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.322 -20.824 -5.884 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.620 -21.455 -5.792 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.951 -22.154 -5.813 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.255 -22.786 -5.721 1.00 51.24 C ATOM 468 CZ PHE A 33 23.918 -23.135 -5.731 1.00 15.51 C ATOM 0 H PHE A 33 22.828 -17.657 -5.006 1.00 14.51 H new ATOM 0 HA PHE A 33 25.318 -18.751 -3.834 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.506 -18.536 -6.761 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.116 -18.950 -6.207 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.561 -20.060 -5.948 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.666 -21.187 -5.783 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.906 -22.425 -5.822 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.014 -23.552 -5.658 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.630 -24.174 -5.675 1.00 15.51 H new ATOM 478 N ARG A 34 26.696 -16.716 -4.659 1.00 32.15 N ATOM 479 CA ARG A 34 27.362 -15.423 -4.753 1.00 13.44 C ATOM 480 C ARG A 34 28.381 -15.417 -5.888 1.00 21.02 C ATOM 481 O ARG A 34 29.000 -16.439 -6.188 1.00 3.34 O ATOM 482 CB ARG A 34 28.054 -15.086 -3.431 1.00 72.25 C ATOM 483 CG ARG A 34 29.363 -15.827 -3.222 1.00 3.34 C ATOM 484 CD ARG A 34 29.941 -15.560 -1.841 1.00 53.42 C ATOM 485 NE ARG A 34 31.401 -15.523 -1.856 1.00 31.04 N ATOM 486 CZ ARG A 34 32.105 -14.474 -2.265 1.00 34.30 C ATOM 487 NH1 ARG A 34 31.487 -13.380 -2.689 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 33.431 -14.516 -2.249 1.00 2.43 N ATOM 0 H ARG A 34 27.325 -17.504 -4.501 1.00 32.15 H new ATOM 0 HA ARG A 34 26.605 -14.667 -4.963 1.00 13.44 H new ATOM 0 HB2 ARG A 34 28.244 -14.013 -3.393 1.00 72.25 H new ATOM 0 HB3 ARG A 34 27.379 -15.319 -2.608 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.200 -16.897 -3.349 1.00 3.34 H new ATOM 0 HG3 ARG A 34 30.081 -15.521 -3.983 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.558 -14.611 -1.465 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.605 -16.335 -1.152 1.00 53.42 H new ATOM 0 HE ARG A 34 31.908 -16.348 -1.535 1.00 31.04 H new ATOM 0 HH11 ARG A 34 30.468 -13.342 -2.702 1.00 44.53 H new ATOM 0 HH12 ARG A 34 32.031 -12.576 -3.002 1.00 44.53 H new ATOM 0 HH21 ARG A 34 33.911 -15.355 -1.922 1.00 2.43 H new ATOM 0 HH22 ARG A 34 33.971 -13.710 -2.563 1.00 2.43 H new ATOM 502 N LYS A 35 28.551 -14.259 -6.518 1.00 54.20 N ATOM 503 CA LYS A 35 29.494 -14.118 -7.620 1.00 73.31 C ATOM 504 C LYS A 35 30.922 -13.977 -7.100 1.00 71.34 C ATOM 505 O LYS A 35 31.283 -12.952 -6.522 1.00 63.22 O ATOM 506 CB LYS A 35 29.131 -12.904 -8.478 1.00 24.12 C ATOM 507 CG LYS A 35 30.221 -12.504 -9.457 1.00 14.42 C ATOM 508 CD LYS A 35 30.598 -13.654 -10.374 1.00 34.13 C ATOM 509 CE LYS A 35 29.593 -13.820 -11.503 1.00 42.22 C ATOM 510 NZ LYS A 35 29.629 -15.192 -12.081 1.00 53.31 N1+ ATOM 0 H LYS A 35 28.047 -13.404 -6.283 1.00 54.20 H new ATOM 0 HA LYS A 35 29.435 -15.018 -8.232 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.218 -13.121 -9.032 1.00 24.12 H new ATOM 0 HB3 LYS A 35 28.914 -12.059 -7.824 1.00 24.12 H new ATOM 0 HG2 LYS A 35 29.882 -11.658 -10.054 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.102 -12.173 -8.907 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.589 -13.478 -10.791 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.654 -14.577 -9.797 1.00 34.13 H new ATOM 0 HE2 LYS A 35 28.591 -13.609 -11.131 1.00 42.22 H new ATOM 0 HE3 LYS A 35 29.802 -13.091 -12.286 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.658 -15.522 -12.253 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 30.153 -15.177 -12.979 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.101 -15.837 -11.415 1.00 53.31 H new ATOM 524 N ALA A 36 31.729 -15.012 -7.309 1.00 33.44 N ATOM 525 CA ALA A 36 33.116 -15.000 -6.864 1.00 70.02 C ATOM 526 C ALA A 36 33.963 -14.074 -7.730 1.00 20.11 C ATOM 527 O ALA A 36 33.448 -13.395 -8.616 1.00 35.22 O ATOM 528 CB ALA A 36 33.687 -16.411 -6.881 1.00 3.22 C ATOM 0 H ALA A 36 31.446 -15.869 -7.784 1.00 33.44 H new ATOM 0 HA ALA A 36 33.141 -14.621 -5.842 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.724 -16.388 -6.546 1.00 3.22 H new ATOM 0 HB2 ALA A 36 33.105 -17.047 -6.214 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.642 -16.810 -7.894 1.00 3.22 H new ATOM 534 N ALA A 37 35.265 -14.052 -7.466 1.00 24.23 N ATOM 535 CA ALA A 37 36.183 -13.209 -8.223 1.00 41.33 C ATOM 536 C ALA A 37 36.620 -13.894 -9.514 1.00 62.24 C ATOM 537 O ALA A 37 37.341 -13.311 -10.324 1.00 15.13 O ATOM 538 CB ALA A 37 37.397 -12.857 -7.374 1.00 20.34 C ATOM 0 H ALA A 37 35.708 -14.608 -6.734 1.00 24.23 H new ATOM 0 HA ALA A 37 35.659 -12.291 -8.489 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.074 -12.227 -7.951 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.074 -12.320 -6.482 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.913 -13.771 -7.080 1.00 20.34 H new ATOM 544 N ASP A 38 36.178 -15.133 -9.699 1.00 62.14 N ATOM 545 CA ASP A 38 36.522 -15.897 -10.893 1.00 4.12 C ATOM 546 C ASP A 38 35.341 -15.963 -11.856 1.00 0.42 C ATOM 547 O ASP A 38 35.252 -16.868 -12.684 1.00 23.13 O ATOM 548 CB ASP A 38 36.963 -17.310 -10.510 1.00 0.10 C ATOM 549 CG ASP A 38 37.956 -17.894 -11.496 1.00 65.21 C ATOM 550 OD1 ASP A 38 37.513 -18.500 -12.495 1.00 5.41 O ATOM 551 OD2 ASP A 38 39.175 -17.747 -11.270 1.00 40.31 O1- ATOM 0 H ASP A 38 35.581 -15.630 -9.038 1.00 62.14 H new ATOM 0 HA ASP A 38 37.347 -15.390 -11.393 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.411 -17.291 -9.516 1.00 0.10 H new ATOM 0 HB3 ASP A 38 36.088 -17.958 -10.453 1.00 0.10 H new ATOM 556 N ASP A 39 34.436 -14.997 -11.739 1.00 22.23 N ATOM 557 CA ASP A 39 33.259 -14.946 -12.599 1.00 13.11 C ATOM 558 C ASP A 39 32.419 -16.210 -12.449 1.00 31.25 C ATOM 559 O ASP A 39 31.807 -16.681 -13.408 1.00 44.13 O ATOM 560 CB ASP A 39 33.676 -14.766 -14.059 1.00 2.13 C ATOM 561 CG ASP A 39 34.388 -13.450 -14.301 1.00 55.52 C ATOM 562 OD1 ASP A 39 33.752 -12.389 -14.124 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 35.582 -13.479 -14.665 1.00 22.43 O ATOM 0 H ASP A 39 34.495 -14.240 -11.058 1.00 22.23 H new ATOM 0 HA ASP A 39 32.654 -14.092 -12.294 1.00 13.11 H new ATOM 0 HB2 ASP A 39 34.330 -15.588 -14.351 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.793 -14.820 -14.695 1.00 2.13 H new ATOM 568 N THR A 40 32.396 -16.758 -11.238 1.00 30.11 N ATOM 569 CA THR A 40 31.634 -17.969 -10.962 1.00 25.33 C ATOM 570 C THR A 40 30.648 -17.751 -9.819 1.00 51.15 C ATOM 571 O THR A 40 30.710 -16.740 -9.119 1.00 63.30 O ATOM 572 CB THR A 40 32.561 -19.148 -10.607 1.00 62.55 C ATOM 573 OG1 THR A 40 33.274 -18.863 -9.398 1.00 73.04 O ATOM 574 CG2 THR A 40 33.547 -19.418 -11.732 1.00 33.22 C ATOM 0 H THR A 40 32.897 -16.382 -10.433 1.00 30.11 H new ATOM 0 HA THR A 40 31.084 -18.210 -11.872 1.00 25.33 H new ATOM 0 HB THR A 40 31.945 -20.036 -10.464 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.860 -19.617 -9.178 1.00 73.04 H new ATOM 0 HG21 THR A 40 34.191 -20.254 -11.459 1.00 33.22 H new ATOM 0 HG22 THR A 40 33.001 -19.663 -12.643 1.00 33.22 H new ATOM 0 HG23 THR A 40 34.157 -18.531 -11.902 1.00 33.22 H new ATOM 582 N TRP A 41 29.741 -18.703 -9.638 1.00 51.02 N ATOM 583 CA TRP A 41 28.742 -18.614 -8.578 1.00 63.44 C ATOM 584 C TRP A 41 29.009 -19.648 -7.490 1.00 42.43 C ATOM 585 O TRP A 41 28.932 -20.852 -7.733 1.00 72.23 O ATOM 586 CB TRP A 41 27.339 -18.812 -9.155 1.00 61.33 C ATOM 587 CG TRP A 41 27.001 -17.840 -10.244 1.00 74.13 C ATOM 588 CD1 TRP A 41 27.020 -18.077 -11.589 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.596 -16.477 -10.080 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.651 -16.942 -12.271 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.385 -15.947 -11.368 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.389 -15.652 -8.971 1.00 51.42 C ATOM 593 CZ2 TRP A 41 25.979 -14.632 -11.575 1.00 72.03 C ATOM 594 CZ3 TRP A 41 25.986 -14.347 -9.177 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.784 -13.847 -10.470 1.00 4.00 C ATOM 0 H TRP A 41 29.676 -19.545 -10.210 1.00 51.02 H new ATOM 0 HA TRP A 41 28.808 -17.621 -8.132 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.254 -19.827 -9.544 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.607 -18.716 -8.353 1.00 61.33 H new ATOM 0 HD1 TRP A 41 27.286 -19.017 -12.049 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.586 -16.855 -13.285 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.542 -16.028 -7.970 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.823 -14.245 -12.571 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 25.824 -13.701 -8.327 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.468 -12.822 -10.598 1.00 4.00 H new ATOM 606 N GLU A 42 29.321 -19.170 -6.289 1.00 14.31 N ATOM 607 CA GLU A 42 29.600 -20.055 -5.164 1.00 22.31 C ATOM 608 C GLU A 42 28.368 -20.213 -4.279 1.00 30.22 C ATOM 609 O GLU A 42 27.458 -19.384 -4.283 1.00 23.11 O ATOM 610 CB GLU A 42 30.769 -19.515 -4.339 1.00 42.11 C ATOM 611 CG GLU A 42 32.132 -19.916 -4.877 1.00 72.32 C ATOM 612 CD GLU A 42 33.116 -20.259 -3.776 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.489 -19.347 -3.008 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 33.514 -21.440 -3.681 1.00 22.45 O ATOM 0 H GLU A 42 29.387 -18.176 -6.070 1.00 14.31 H new ATOM 0 HA GLU A 42 29.868 -21.034 -5.562 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.707 -18.427 -4.306 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.674 -19.871 -3.313 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.019 -20.775 -5.539 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.535 -19.101 -5.478 1.00 72.32 H new ATOM 621 N PRO A 43 28.335 -21.306 -3.500 1.00 55.32 N ATOM 622 CA PRO A 43 27.221 -21.599 -2.595 1.00 0.45 C ATOM 623 C PRO A 43 27.163 -20.636 -1.414 1.00 61.23 C ATOM 624 O PRO A 43 28.112 -20.537 -0.636 1.00 55.41 O ATOM 625 CB PRO A 43 27.520 -23.021 -2.112 1.00 61.34 C ATOM 626 CG PRO A 43 28.997 -23.163 -2.249 1.00 40.42 C ATOM 627 CD PRO A 43 29.384 -22.337 -3.444 1.00 75.22 C ATOM 0 HA PRO A 43 26.256 -21.497 -3.091 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.202 -23.164 -1.079 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.993 -23.762 -2.713 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.507 -22.814 -1.351 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.277 -24.207 -2.389 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.374 -21.897 -3.325 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.409 -22.935 -4.355 1.00 75.22 H new ATOM 635 N PHE A 44 26.046 -19.930 -1.286 1.00 1.12 N ATOM 636 CA PHE A 44 25.865 -18.974 -0.199 1.00 62.35 C ATOM 637 C PHE A 44 24.901 -19.518 0.850 1.00 72.22 C ATOM 638 O PHE A 44 25.237 -19.608 2.030 1.00 41.04 O ATOM 639 CB PHE A 44 25.346 -17.642 -0.744 1.00 22.21 C ATOM 640 CG PHE A 44 25.180 -16.586 0.311 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.283 -16.060 0.964 1.00 54.50 C ATOM 642 CD2 PHE A 44 23.920 -16.121 0.651 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.133 -15.090 1.935 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.764 -15.149 1.623 1.00 23.30 C ATOM 645 CZ PHE A 44 24.872 -14.632 2.264 1.00 2.44 C ATOM 0 H PHE A 44 25.251 -20.001 -1.921 1.00 1.12 H new ATOM 0 HA PHE A 44 26.834 -18.812 0.274 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.035 -17.278 -1.506 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.387 -17.808 -1.234 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.272 -16.413 0.710 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.050 -16.522 0.152 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.001 -14.689 2.437 1.00 13.33 H new ATOM 0 HE2 PHE A 44 22.777 -14.795 1.880 1.00 23.30 H new ATOM 0 HZ PHE A 44 24.753 -13.871 3.021 1.00 2.44 H new ATOM 655 N ALA A 45 23.701 -19.880 0.409 1.00 74.54 N ATOM 656 CA ALA A 45 22.687 -20.417 1.309 1.00 71.13 C ATOM 657 C ALA A 45 21.639 -21.217 0.542 1.00 63.11 C ATOM 658 O ALA A 45 21.676 -21.287 -0.687 1.00 0.42 O ATOM 659 CB ALA A 45 22.026 -19.292 2.092 1.00 14.12 C ATOM 0 H ALA A 45 23.407 -19.811 -0.565 1.00 74.54 H new ATOM 0 HA ALA A 45 23.180 -21.091 2.009 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.271 -19.708 2.760 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.779 -18.766 2.679 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.553 -18.595 1.399 1.00 14.12 H new ATOM 665 N SER A 46 20.706 -21.816 1.273 1.00 60.52 N ATOM 666 CA SER A 46 19.650 -22.614 0.660 1.00 52.32 C ATOM 667 C SER A 46 18.565 -22.953 1.678 1.00 40.50 C ATOM 668 O SER A 46 18.831 -23.058 2.874 1.00 65.02 O ATOM 669 CB SER A 46 20.231 -23.901 0.071 1.00 70.12 C ATOM 670 OG SER A 46 19.296 -24.964 0.146 1.00 13.53 O ATOM 0 H SER A 46 20.659 -21.764 2.291 1.00 60.52 H new ATOM 0 HA SER A 46 19.202 -22.025 -0.141 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.514 -23.734 -0.968 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.139 -24.173 0.609 1.00 70.12 H new ATOM 0 HG SER A 46 19.691 -25.775 -0.238 1.00 13.53 H new ATOM 676 N GLY A 47 17.338 -23.121 1.192 1.00 11.14 N ATOM 677 CA GLY A 47 16.230 -23.445 2.072 1.00 1.53 C ATOM 678 C GLY A 47 14.914 -23.560 1.328 1.00 63.12 C ATOM 679 O GLY A 47 14.849 -23.313 0.124 1.00 62.23 O ATOM 0 H GLY A 47 17.092 -23.039 0.206 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.439 -24.385 2.583 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.144 -22.677 2.841 1.00 1.53 H new ATOM 683 N LYS A 48 13.862 -23.937 2.047 1.00 51.41 N ATOM 684 CA LYS A 48 12.540 -24.086 1.448 1.00 3.33 C ATOM 685 C LYS A 48 11.547 -23.114 2.077 1.00 14.54 C ATOM 686 O LYS A 48 11.779 -22.591 3.167 1.00 53.10 O ATOM 687 CB LYS A 48 12.041 -25.523 1.615 1.00 54.50 C ATOM 688 CG LYS A 48 12.881 -26.548 0.873 1.00 35.21 C ATOM 689 CD LYS A 48 12.415 -27.965 1.165 1.00 13.00 C ATOM 690 CE LYS A 48 13.371 -28.996 0.583 1.00 55.05 C ATOM 691 NZ LYS A 48 13.093 -30.364 1.102 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.899 -24.145 3.045 1.00 51.41 H new ATOM 0 HA LYS A 48 12.621 -23.858 0.385 1.00 3.33 H new ATOM 0 HB2 LYS A 48 12.030 -25.774 2.676 1.00 54.50 H new ATOM 0 HB3 LYS A 48 11.012 -25.585 1.262 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.825 -26.359 -0.199 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.927 -26.441 1.161 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.335 -28.108 2.243 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.419 -28.115 0.749 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.288 -28.996 -0.504 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.397 -28.717 0.824 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.765 -31.038 0.682 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.197 -30.370 2.137 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.123 -30.640 0.850 1.00 60.34 H new ATOM 705 N THR A 49 10.437 -22.878 1.383 1.00 35.43 N ATOM 706 CA THR A 49 9.408 -21.971 1.874 1.00 51.31 C ATOM 707 C THR A 49 8.356 -22.718 2.685 1.00 3.20 C ATOM 708 O THR A 49 8.321 -23.949 2.688 1.00 55.41 O ATOM 709 CB THR A 49 8.715 -21.229 0.715 1.00 40.10 C ATOM 710 OG1 THR A 49 8.005 -22.162 -0.108 1.00 34.44 O ATOM 711 CG2 THR A 49 9.730 -20.470 -0.127 1.00 72.54 C ATOM 0 H THR A 49 10.229 -23.303 0.479 1.00 35.43 H new ATOM 0 HA THR A 49 9.907 -21.245 2.515 1.00 51.31 H new ATOM 0 HB THR A 49 8.013 -20.512 1.140 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.055 -21.921 -0.131 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.217 -19.954 -0.939 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.247 -19.741 0.496 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.454 -21.170 -0.543 1.00 72.54 H new ATOM 719 N SER A 50 7.500 -21.968 3.371 1.00 13.14 N ATOM 720 CA SER A 50 6.449 -22.561 4.189 1.00 23.01 C ATOM 721 C SER A 50 5.071 -22.108 3.715 1.00 61.40 C ATOM 722 O SER A 50 4.933 -21.540 2.633 1.00 4.13 O ATOM 723 CB SER A 50 6.644 -22.184 5.660 1.00 14.25 C ATOM 724 OG SER A 50 8.019 -22.042 5.972 1.00 22.21 O ATOM 0 H SER A 50 7.514 -20.948 3.377 1.00 13.14 H new ATOM 0 HA SER A 50 6.511 -23.644 4.087 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.122 -21.251 5.872 1.00 14.25 H new ATOM 0 HB3 SER A 50 6.201 -22.949 6.297 1.00 14.25 H new ATOM 0 HG SER A 50 8.117 -21.799 6.916 1.00 22.21 H new ATOM 730 N GLU A 51 4.057 -22.366 4.535 1.00 40.23 N ATOM 731 CA GLU A 51 2.689 -21.986 4.199 1.00 60.32 C ATOM 732 C GLU A 51 2.581 -20.478 3.982 1.00 42.55 C ATOM 733 O GLU A 51 1.633 -19.997 3.364 1.00 73.13 O ATOM 734 CB GLU A 51 1.728 -22.423 5.305 1.00 71.34 C ATOM 735 CG GLU A 51 2.228 -22.106 6.706 1.00 5.20 C ATOM 736 CD GLU A 51 1.188 -21.392 7.547 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.095 -21.959 7.750 1.00 12.23 O ATOM 738 OE2 GLU A 51 1.470 -20.264 8.004 1.00 51.42 O1- ATOM 0 H GLU A 51 4.156 -22.836 5.435 1.00 40.23 H new ATOM 0 HA GLU A 51 2.417 -22.490 3.272 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.766 -21.935 5.153 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.557 -23.496 5.223 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.519 -23.032 7.203 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.122 -21.487 6.637 1.00 5.20 H new ATOM 745 N SER A 52 3.561 -19.741 4.496 1.00 0.31 N ATOM 746 CA SER A 52 3.573 -18.289 4.364 1.00 24.21 C ATOM 747 C SER A 52 4.322 -17.865 3.102 1.00 24.50 C ATOM 748 O SER A 52 4.216 -16.723 2.659 1.00 12.24 O ATOM 749 CB SER A 52 4.221 -17.650 5.593 1.00 63.01 C ATOM 750 OG SER A 52 4.098 -16.238 5.559 1.00 15.33 O ATOM 0 H SER A 52 4.356 -20.125 5.007 1.00 0.31 H new ATOM 0 HA SER A 52 2.541 -17.947 4.287 1.00 24.21 H new ATOM 0 HB2 SER A 52 3.752 -18.037 6.498 1.00 63.01 H new ATOM 0 HB3 SER A 52 5.275 -17.925 5.637 1.00 63.01 H new ATOM 0 HG SER A 52 4.920 -15.830 5.902 1.00 15.33 H new ATOM 756 N GLY A 53 5.078 -18.797 2.530 1.00 45.14 N ATOM 757 CA GLY A 53 5.834 -18.502 1.327 1.00 60.22 C ATOM 758 C GLY A 53 7.134 -17.781 1.620 1.00 74.10 C ATOM 759 O GLY A 53 7.907 -17.488 0.708 1.00 12.51 O ATOM 0 H GLY A 53 5.180 -19.750 2.878 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.049 -19.432 0.800 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.226 -17.891 0.660 1.00 60.22 H new ATOM 763 N GLU A 54 7.374 -17.492 2.895 1.00 43.33 N ATOM 764 CA GLU A 54 8.590 -16.798 3.305 1.00 51.21 C ATOM 765 C GLU A 54 9.692 -17.793 3.657 1.00 32.34 C ATOM 766 O GLU A 54 9.425 -18.867 4.198 1.00 45.34 O ATOM 767 CB GLU A 54 8.305 -15.890 4.502 1.00 52.21 C ATOM 768 CG GLU A 54 8.029 -16.647 5.790 1.00 3.13 C ATOM 769 CD GLU A 54 7.687 -15.728 6.946 1.00 12.04 C ATOM 770 OE1 GLU A 54 6.842 -14.828 6.757 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 8.261 -15.909 8.040 1.00 3.21 O ATOM 0 H GLU A 54 6.743 -17.727 3.661 1.00 43.33 H new ATOM 0 HA GLU A 54 8.930 -16.188 2.468 1.00 51.21 H new ATOM 0 HB2 GLU A 54 9.157 -15.228 4.656 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.447 -15.258 4.271 1.00 52.21 H new ATOM 0 HG2 GLU A 54 7.206 -17.343 5.628 1.00 3.13 H new ATOM 0 HG3 GLU A 54 8.904 -17.243 6.051 1.00 3.13 H new ATOM 778 N LEU A 55 10.931 -17.428 3.348 1.00 2.41 N ATOM 779 CA LEU A 55 12.075 -18.287 3.631 1.00 22.44 C ATOM 780 C LEU A 55 13.193 -17.501 4.307 1.00 75.42 C ATOM 781 O LEU A 55 13.892 -16.716 3.664 1.00 42.00 O ATOM 782 CB LEU A 55 12.593 -18.923 2.339 1.00 1.43 C ATOM 783 CG LEU A 55 13.934 -19.650 2.439 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.908 -20.664 3.573 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.271 -20.332 1.121 1.00 12.22 C ATOM 0 H LEU A 55 11.169 -16.543 2.901 1.00 2.41 H new ATOM 0 HA LEU A 55 11.747 -19.074 4.310 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.845 -19.630 1.981 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.681 -18.142 1.583 1.00 1.43 H new ATOM 0 HG LEU A 55 14.709 -18.914 2.653 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.871 -21.172 3.629 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.713 -20.152 4.515 1.00 65.40 H new ATOM 0 HD13 LEU A 55 13.122 -21.396 3.388 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.229 -20.844 1.211 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.494 -21.056 0.877 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.332 -19.585 0.330 1.00 12.22 H new ATOM 797 N HIS A 56 13.358 -17.717 5.609 1.00 62.22 N ATOM 798 CA HIS A 56 14.393 -17.030 6.373 1.00 52.21 C ATOM 799 C HIS A 56 15.320 -18.031 7.054 1.00 65.14 C ATOM 800 O HIS A 56 15.073 -19.236 7.031 1.00 61.43 O ATOM 801 CB HIS A 56 13.760 -16.110 7.417 1.00 44.24 C ATOM 802 CG HIS A 56 12.631 -16.745 8.169 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.780 -17.303 9.421 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.328 -16.907 7.839 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.619 -17.782 9.828 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.721 -17.554 8.887 1.00 75.35 N ATOM 0 H HIS A 56 12.788 -18.362 6.156 1.00 62.22 H new ATOM 0 HA HIS A 56 14.983 -16.429 5.681 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.527 -15.796 8.126 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.395 -15.210 6.923 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.854 -16.587 6.923 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.435 -18.276 10.770 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.736 -17.816 8.931 1.00 75.35 H new ATOM 814 N GLY A 57 16.388 -17.523 7.661 1.00 54.50 N ATOM 815 CA GLY A 57 17.336 -18.388 8.340 1.00 51.11 C ATOM 816 C GLY A 57 18.419 -18.902 7.412 1.00 44.14 C ATOM 817 O GLY A 57 19.094 -19.886 7.720 1.00 3.50 O ATOM 0 H GLY A 57 16.614 -16.529 7.695 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.796 -17.842 9.163 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.804 -19.233 8.776 1.00 51.11 H new ATOM 821 N LEU A 58 18.584 -18.240 6.273 1.00 1.11 N ATOM 822 CA LEU A 58 19.592 -18.637 5.295 1.00 53.45 C ATOM 823 C LEU A 58 20.994 -18.295 5.789 1.00 62.15 C ATOM 824 O LEU A 58 21.852 -19.170 5.910 1.00 35.35 O ATOM 825 CB LEU A 58 19.329 -17.949 3.955 1.00 64.24 C ATOM 826 CG LEU A 58 18.286 -18.612 3.054 1.00 4.24 C ATOM 827 CD1 LEU A 58 18.086 -17.801 1.783 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.700 -20.037 2.719 1.00 62.04 C ATOM 0 H LEU A 58 18.033 -17.425 6.003 1.00 1.11 H new ATOM 0 HA LEU A 58 19.528 -19.717 5.161 1.00 53.45 H new ATOM 0 HB2 LEU A 58 19.012 -16.925 4.151 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.270 -17.892 3.407 1.00 64.24 H new ATOM 0 HG LEU A 58 17.338 -18.647 3.592 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.341 -18.288 1.154 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.744 -16.799 2.041 1.00 55.53 H new ATOM 0 HD13 LEU A 58 19.030 -17.734 1.242 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.946 -20.494 2.077 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.659 -20.025 2.201 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.792 -20.615 3.639 1.00 62.04 H new ATOM 840 N THR A 59 21.220 -17.017 6.075 1.00 11.10 N ATOM 841 CA THR A 59 22.516 -16.559 6.557 1.00 32.02 C ATOM 842 C THR A 59 22.367 -15.358 7.485 1.00 65.34 C ATOM 843 O THR A 59 21.254 -14.914 7.768 1.00 12.31 O ATOM 844 CB THR A 59 23.447 -16.178 5.390 1.00 50.44 C ATOM 845 OG1 THR A 59 22.738 -15.372 4.442 1.00 55.13 O ATOM 846 CG2 THR A 59 23.988 -17.422 4.701 1.00 44.44 C ATOM 0 H THR A 59 20.521 -16.280 5.981 1.00 11.10 H new ATOM 0 HA THR A 59 22.957 -17.389 7.110 1.00 32.02 H new ATOM 0 HB THR A 59 24.286 -15.611 5.793 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.330 -15.152 3.692 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.643 -17.128 3.881 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.551 -18.019 5.418 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.158 -18.011 4.310 1.00 44.44 H new ATOM 854 N THR A 60 23.495 -14.836 7.956 1.00 54.44 N ATOM 855 CA THR A 60 23.488 -13.687 8.853 1.00 13.13 C ATOM 856 C THR A 60 24.008 -12.438 8.150 1.00 21.15 C ATOM 857 O THR A 60 24.482 -12.505 7.015 1.00 14.52 O ATOM 858 CB THR A 60 24.343 -13.949 10.108 1.00 25.41 C ATOM 859 OG1 THR A 60 25.658 -14.366 9.726 1.00 64.13 O ATOM 860 CG2 THR A 60 23.702 -15.012 10.985 1.00 52.01 C ATOM 0 H THR A 60 24.425 -15.190 7.731 1.00 54.44 H new ATOM 0 HA THR A 60 22.453 -13.527 9.154 1.00 13.13 H new ATOM 0 HB THR A 60 24.408 -13.022 10.678 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.196 -14.529 10.529 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.323 -15.181 11.865 1.00 52.01 H new ATOM 0 HG22 THR A 60 22.713 -14.678 11.297 1.00 52.01 H new ATOM 0 HG23 THR A 60 23.610 -15.941 10.422 1.00 52.01 H new ATOM 868 N GLU A 61 23.916 -11.300 8.829 1.00 22.20 N ATOM 869 CA GLU A 61 24.377 -10.036 8.269 1.00 34.44 C ATOM 870 C GLU A 61 25.902 -9.967 8.263 1.00 75.15 C ATOM 871 O GLU A 61 26.500 -9.298 7.421 1.00 20.20 O ATOM 872 CB GLU A 61 23.806 -8.860 9.064 1.00 63.34 C ATOM 873 CG GLU A 61 23.644 -7.591 8.243 1.00 15.31 C ATOM 874 CD GLU A 61 22.786 -7.799 7.011 1.00 74.31 C ATOM 875 OE1 GLU A 61 21.552 -7.638 7.111 1.00 53.10 O1- ATOM 876 OE2 GLU A 61 23.350 -8.124 5.943 1.00 31.33 O ATOM 0 H GLU A 61 23.526 -11.227 9.769 1.00 22.20 H new ATOM 0 HA GLU A 61 24.023 -9.975 7.240 1.00 34.44 H new ATOM 0 HB2 GLU A 61 22.836 -9.145 9.472 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.460 -8.653 9.911 1.00 63.34 H new ATOM 0 HG2 GLU A 61 23.198 -6.815 8.865 1.00 15.31 H new ATOM 0 HG3 GLU A 61 24.627 -7.231 7.940 1.00 15.31 H new ATOM 883 N GLU A 62 26.524 -10.664 9.210 1.00 42.53 N ATOM 884 CA GLU A 62 27.977 -10.680 9.315 1.00 43.33 C ATOM 885 C GLU A 62 28.591 -11.571 8.238 1.00 65.32 C ATOM 886 O GLU A 62 29.739 -11.378 7.839 1.00 62.24 O ATOM 887 CB GLU A 62 28.406 -11.168 10.701 1.00 54.13 C ATOM 888 CG GLU A 62 27.621 -10.536 11.837 1.00 32.32 C ATOM 889 CD GLU A 62 28.518 -9.938 12.904 1.00 63.21 C ATOM 890 OE1 GLU A 62 29.263 -8.987 12.588 1.00 12.42 O ATOM 891 OE2 GLU A 62 28.474 -10.422 14.055 1.00 22.34 O1- ATOM 0 H GLU A 62 26.044 -11.224 9.914 1.00 42.53 H new ATOM 0 HA GLU A 62 28.337 -9.662 9.169 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.289 -12.251 10.748 1.00 54.13 H new ATOM 0 HB3 GLU A 62 29.466 -10.955 10.840 1.00 54.13 H new ATOM 0 HG2 GLU A 62 26.971 -9.758 11.436 1.00 32.32 H new ATOM 0 HG3 GLU A 62 26.975 -11.288 12.290 1.00 32.32 H new ATOM 898 N GLU A 63 27.816 -12.546 7.774 1.00 72.05 N ATOM 899 CA GLU A 63 28.283 -13.467 6.744 1.00 4.24 C ATOM 900 C GLU A 63 27.866 -12.989 5.355 1.00 63.22 C ATOM 901 O GLU A 63 28.552 -13.247 4.367 1.00 24.32 O ATOM 902 CB GLU A 63 27.734 -14.872 6.998 1.00 2.20 C ATOM 903 CG GLU A 63 28.037 -15.855 5.880 1.00 63.03 C ATOM 904 CD GLU A 63 29.523 -16.021 5.634 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.304 -15.861 6.595 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 29.906 -16.309 4.480 1.00 13.21 O ATOM 0 H GLU A 63 26.863 -12.719 8.094 1.00 72.05 H new ATOM 0 HA GLU A 63 29.372 -13.497 6.787 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.153 -15.254 7.929 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.654 -14.812 7.135 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.603 -16.824 6.126 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.557 -15.515 4.963 1.00 63.03 H new ATOM 913 N PHE A 64 26.737 -12.292 5.291 1.00 65.55 N ATOM 914 CA PHE A 64 26.226 -11.779 4.026 1.00 2.44 C ATOM 915 C PHE A 64 27.094 -10.633 3.514 1.00 64.41 C ATOM 916 O PHE A 64 26.923 -9.482 3.917 1.00 23.03 O ATOM 917 CB PHE A 64 24.780 -11.306 4.188 1.00 11.52 C ATOM 918 CG PHE A 64 24.097 -11.007 2.885 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.353 -9.825 2.209 1.00 2.21 C ATOM 920 CD2 PHE A 64 23.197 -11.907 2.336 1.00 23.14 C ATOM 921 CE1 PHE A 64 23.726 -9.546 1.009 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.568 -11.633 1.136 1.00 23.23 C ATOM 923 CZ PHE A 64 22.832 -10.451 0.472 1.00 20.10 C ATOM 0 H PHE A 64 26.158 -12.069 6.101 1.00 65.55 H new ATOM 0 HA PHE A 64 26.255 -12.588 3.297 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.213 -12.071 4.719 1.00 11.52 H new ATOM 0 HB3 PHE A 64 24.767 -10.411 4.810 1.00 11.52 H new ATOM 0 HD1 PHE A 64 25.051 -9.113 2.625 1.00 2.21 H new ATOM 0 HD2 PHE A 64 22.985 -12.832 2.851 1.00 23.14 H new ATOM 0 HE1 PHE A 64 23.935 -8.621 0.492 1.00 22.10 H new ATOM 0 HE2 PHE A 64 21.870 -12.343 0.718 1.00 23.23 H new ATOM 0 HZ PHE A 64 22.340 -10.235 -0.465 1.00 20.10 H new ATOM 933 N VAL A 65 28.026 -10.956 2.622 1.00 21.05 N ATOM 934 CA VAL A 65 28.919 -9.955 2.054 1.00 15.40 C ATOM 935 C VAL A 65 28.249 -9.207 0.907 1.00 44.42 C ATOM 936 O VAL A 65 27.098 -9.477 0.567 1.00 15.41 O ATOM 937 CB VAL A 65 30.225 -10.593 1.543 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.994 -11.227 2.692 1.00 44.35 C ATOM 939 CG2 VAL A 65 29.928 -11.619 0.461 1.00 3.14 C ATOM 0 H VAL A 65 28.181 -11.904 2.278 1.00 21.05 H new ATOM 0 HA VAL A 65 29.155 -9.252 2.853 1.00 15.40 H new ATOM 0 HB VAL A 65 30.846 -9.810 1.109 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.913 -11.673 2.312 1.00 44.35 H new ATOM 0 HG12 VAL A 65 31.239 -10.464 3.431 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.382 -11.999 3.157 1.00 44.35 H new ATOM 0 HG21 VAL A 65 30.862 -12.060 0.111 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.287 -12.401 0.868 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.422 -11.132 -0.373 1.00 3.14 H new ATOM 949 N GLU A 66 28.979 -8.267 0.314 1.00 71.12 N ATOM 950 CA GLU A 66 28.455 -7.480 -0.796 1.00 72.12 C ATOM 951 C GLU A 66 28.819 -8.116 -2.133 1.00 23.14 C ATOM 952 O GLU A 66 29.709 -8.962 -2.210 1.00 1.30 O ATOM 953 CB GLU A 66 28.992 -6.050 -0.735 1.00 3.54 C ATOM 954 CG GLU A 66 30.450 -5.929 -1.148 1.00 73.15 C ATOM 955 CD GLU A 66 30.985 -4.518 -0.998 1.00 11.41 C ATOM 956 OE1 GLU A 66 30.192 -3.564 -1.141 1.00 4.44 O1- ATOM 957 OE2 GLU A 66 32.197 -4.369 -0.736 1.00 63.51 O ATOM 0 H GLU A 66 29.934 -8.032 0.584 1.00 71.12 H new ATOM 0 HA GLU A 66 27.369 -7.455 -0.709 1.00 72.12 H new ATOM 0 HB2 GLU A 66 28.386 -5.415 -1.382 1.00 3.54 H new ATOM 0 HB3 GLU A 66 28.878 -5.671 0.281 1.00 3.54 H new ATOM 0 HG2 GLU A 66 31.052 -6.608 -0.544 1.00 73.15 H new ATOM 0 HG3 GLU A 66 30.557 -6.246 -2.186 1.00 73.15 H new ATOM 964 N GLY A 67 28.123 -7.702 -3.189 1.00 24.52 N ATOM 965 CA GLY A 67 28.388 -8.241 -4.509 1.00 43.11 C ATOM 966 C GLY A 67 27.134 -8.760 -5.185 1.00 53.01 C ATOM 967 O GLY A 67 26.020 -8.438 -4.772 1.00 30.33 O ATOM 0 H GLY A 67 27.381 -7.003 -3.152 1.00 24.52 H new ATOM 0 HA2 GLY A 67 28.839 -7.467 -5.131 1.00 43.11 H new ATOM 0 HA3 GLY A 67 29.115 -9.049 -4.429 1.00 43.11 H new ATOM 971 N ILE A 68 27.315 -9.565 -6.226 1.00 63.14 N ATOM 972 CA ILE A 68 26.190 -10.130 -6.961 1.00 74.20 C ATOM 973 C ILE A 68 25.827 -11.513 -6.432 1.00 31.45 C ATOM 974 O ILE A 68 26.696 -12.277 -6.015 1.00 12.54 O ATOM 975 CB ILE A 68 26.494 -10.231 -8.467 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.062 -8.909 -8.985 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.237 -10.613 -9.236 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.574 -8.865 -8.998 1.00 72.12 C ATOM 0 H ILE A 68 28.231 -9.841 -6.580 1.00 63.14 H new ATOM 0 HA ILE A 68 25.347 -9.455 -6.815 1.00 74.20 H new ATOM 0 HB ILE A 68 27.241 -11.010 -8.621 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.693 -8.735 -9.996 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.688 -8.094 -8.365 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.467 -10.681 -10.299 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.873 -11.577 -8.882 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.470 -9.855 -9.079 1.00 20.00 H new ATOM 0 HD11 ILE A 68 28.907 -7.899 -9.377 1.00 72.12 H new ATOM 0 HD12 ILE A 68 28.951 -9.007 -7.985 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.956 -9.658 -9.641 1.00 72.12 H new ATOM 990 N TYR A 69 24.536 -11.829 -6.452 1.00 70.53 N ATOM 991 CA TYR A 69 24.057 -13.120 -5.974 1.00 5.55 C ATOM 992 C TYR A 69 23.043 -13.718 -6.945 1.00 31.10 C ATOM 993 O TYR A 69 22.294 -12.996 -7.603 1.00 43.33 O ATOM 994 CB TYR A 69 23.427 -12.972 -4.589 1.00 75.15 C ATOM 995 CG TYR A 69 24.432 -12.693 -3.494 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.905 -11.406 -3.269 1.00 43.05 C ATOM 997 CD2 TYR A 69 24.907 -13.717 -2.683 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.824 -11.147 -2.270 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.824 -13.466 -1.680 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.280 -12.180 -1.479 1.00 12.51 C ATOM 1001 OH TYR A 69 27.193 -11.926 -0.482 1.00 52.05 O ATOM 0 H TYR A 69 23.803 -11.208 -6.794 1.00 70.53 H new ATOM 0 HA TYR A 69 24.911 -13.794 -5.907 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.697 -12.163 -4.616 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.883 -13.885 -4.347 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.548 -10.594 -3.885 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.554 -14.726 -2.839 1.00 31.25 H new ATOM 0 HE1 TYR A 69 26.183 -10.141 -2.110 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.182 -14.272 -1.057 1.00 72.34 H new ATOM 0 HH TYR A 69 26.878 -11.179 0.068 1.00 52.05 H new ATOM 1011 N LYS A 70 23.026 -15.044 -7.029 1.00 53.33 N ATOM 1012 CA LYS A 70 22.104 -15.743 -7.917 1.00 53.10 C ATOM 1013 C LYS A 70 21.180 -16.664 -7.126 1.00 14.23 C ATOM 1014 O LYS A 70 21.639 -17.509 -6.357 1.00 71.33 O ATOM 1015 CB LYS A 70 22.881 -16.553 -8.958 1.00 4.23 C ATOM 1016 CG LYS A 70 22.009 -17.108 -10.071 1.00 73.02 C ATOM 1017 CD LYS A 70 22.732 -18.187 -10.859 1.00 24.44 C ATOM 1018 CE LYS A 70 22.772 -19.502 -10.099 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.184 -20.636 -10.971 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.640 -15.657 -6.493 1.00 53.33 H new ATOM 0 HA LYS A 70 21.495 -14.997 -8.427 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.654 -15.921 -9.395 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.388 -17.379 -8.459 1.00 4.23 H new ATOM 0 HG2 LYS A 70 21.093 -17.518 -9.647 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.716 -16.301 -10.742 1.00 73.02 H new ATOM 0 HD2 LYS A 70 22.233 -18.335 -11.817 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.749 -17.860 -11.076 1.00 24.44 H new ATOM 0 HE2 LYS A 70 23.466 -19.417 -9.263 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.788 -19.707 -9.677 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 22.490 -21.407 -10.889 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.230 -20.315 -11.959 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.120 -20.980 -10.675 1.00 5.14 H new ATOM 1033 N VAL A 71 19.876 -16.496 -7.322 1.00 73.11 N ATOM 1034 CA VAL A 71 18.887 -17.313 -6.628 1.00 34.45 C ATOM 1035 C VAL A 71 18.197 -18.273 -7.590 1.00 63.22 C ATOM 1036 O VAL A 71 17.803 -17.888 -8.691 1.00 63.42 O ATOM 1037 CB VAL A 71 17.823 -16.442 -5.937 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.743 -17.312 -5.312 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.466 -15.544 -4.892 1.00 13.51 C ATOM 0 H VAL A 71 19.480 -15.802 -7.956 1.00 73.11 H new ATOM 0 HA VAL A 71 19.424 -17.884 -5.871 1.00 34.45 H new ATOM 0 HB VAL A 71 17.354 -15.808 -6.689 1.00 32.41 H new ATOM 0 HG11 VAL A 71 16.000 -16.678 -4.828 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.262 -17.908 -6.087 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.192 -17.974 -4.572 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.699 -14.935 -4.414 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.963 -16.158 -4.141 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.198 -14.894 -5.371 1.00 13.51 H new ATOM 1049 N GLU A 72 18.054 -19.525 -7.168 1.00 52.24 N ATOM 1050 CA GLU A 72 17.411 -20.541 -7.992 1.00 34.02 C ATOM 1051 C GLU A 72 16.222 -21.162 -7.264 1.00 45.41 C ATOM 1052 O GLU A 72 16.366 -21.697 -6.164 1.00 32.53 O ATOM 1053 CB GLU A 72 18.414 -21.630 -8.375 1.00 24.24 C ATOM 1054 CG GLU A 72 19.444 -21.179 -9.396 1.00 50.22 C ATOM 1055 CD GLU A 72 19.889 -22.302 -10.312 1.00 65.25 C ATOM 1056 OE1 GLU A 72 19.013 -23.008 -10.855 1.00 13.41 O ATOM 1057 OE2 GLU A 72 21.114 -22.474 -10.486 1.00 24.10 O1- ATOM 0 H GLU A 72 18.375 -19.860 -6.260 1.00 52.24 H new ATOM 0 HA GLU A 72 17.047 -20.058 -8.899 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.930 -21.969 -7.477 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.872 -22.487 -8.773 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.026 -20.371 -9.996 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.312 -20.774 -8.876 1.00 50.22 H new ATOM 1064 N ILE A 73 15.049 -21.086 -7.884 1.00 61.12 N ATOM 1065 CA ILE A 73 13.837 -21.641 -7.295 1.00 75.21 C ATOM 1066 C ILE A 73 13.393 -22.899 -8.033 1.00 61.50 C ATOM 1067 O ILE A 73 13.429 -22.955 -9.263 1.00 61.15 O ATOM 1068 CB ILE A 73 12.686 -20.618 -7.309 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.165 -19.271 -6.764 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.508 -21.135 -6.497 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.101 -18.195 -6.790 1.00 64.32 C ATOM 0 H ILE A 73 14.913 -20.646 -8.794 1.00 61.12 H new ATOM 0 HA ILE A 73 14.075 -21.894 -6.262 1.00 75.21 H new ATOM 0 HB ILE A 73 12.358 -20.476 -8.339 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.510 -19.405 -5.739 1.00 2.24 H new ATOM 0 HG13 ILE A 73 14.023 -18.937 -7.347 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.703 -20.401 -6.516 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.155 -22.073 -6.925 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.822 -21.302 -5.467 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.511 -17.268 -6.389 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.773 -18.033 -7.817 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.252 -18.508 -6.183 1.00 64.32 H new ATOM 1083 N ASP A 74 12.973 -23.906 -7.275 1.00 20.43 N ATOM 1084 CA ASP A 74 12.519 -25.163 -7.857 1.00 51.21 C ATOM 1085 C ASP A 74 10.996 -25.253 -7.835 1.00 25.22 C ATOM 1086 O ASP A 74 10.411 -25.873 -6.947 1.00 75.54 O ATOM 1087 CB ASP A 74 13.123 -26.348 -7.100 1.00 1.22 C ATOM 1088 CG ASP A 74 13.280 -27.575 -7.977 1.00 72.00 C ATOM 1089 OD1 ASP A 74 13.373 -27.414 -9.210 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 13.310 -28.696 -7.427 1.00 5.22 O ATOM 0 H ASP A 74 12.938 -23.876 -6.256 1.00 20.43 H new ATOM 0 HA ASP A 74 12.852 -25.196 -8.894 1.00 51.21 H new ATOM 0 HB2 ASP A 74 14.097 -26.063 -6.701 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.489 -26.593 -6.248 1.00 1.22 H new ATOM 1095 N THR A 75 10.357 -24.630 -8.822 1.00 25.23 N ATOM 1096 CA THR A 75 8.904 -24.637 -8.915 1.00 73.01 C ATOM 1097 C THR A 75 8.384 -26.016 -9.308 1.00 65.31 C ATOM 1098 O THR A 75 7.249 -26.373 -8.998 1.00 53.44 O ATOM 1099 CB THR A 75 8.402 -23.601 -9.939 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.616 -24.085 -11.270 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.114 -22.270 -9.757 1.00 30.20 C ATOM 0 H THR A 75 10.825 -24.115 -9.568 1.00 25.23 H new ATOM 0 HA THR A 75 8.523 -24.376 -7.928 1.00 73.01 H new ATOM 0 HB THR A 75 7.335 -23.448 -9.775 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.912 -24.726 -11.502 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.742 -21.555 -10.491 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.925 -21.890 -8.753 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.186 -22.409 -9.896 1.00 30.20 H new ATOM 1109 N LYS A 76 9.224 -26.786 -9.990 1.00 33.31 N ATOM 1110 CA LYS A 76 8.852 -28.127 -10.424 1.00 53.53 C ATOM 1111 C LYS A 76 8.355 -28.961 -9.247 1.00 52.22 C ATOM 1112 O LYS A 76 7.439 -29.772 -9.392 1.00 33.40 O ATOM 1113 CB LYS A 76 10.045 -28.821 -11.086 1.00 42.11 C ATOM 1114 CG LYS A 76 11.193 -29.098 -10.132 1.00 35.11 C ATOM 1115 CD LYS A 76 11.148 -30.523 -9.604 1.00 64.45 C ATOM 1116 CE LYS A 76 12.544 -31.110 -9.462 1.00 4.34 C ATOM 1117 NZ LYS A 76 12.543 -32.349 -8.638 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.168 -26.504 -10.254 1.00 33.31 H new ATOM 0 HA LYS A 76 8.044 -28.036 -11.150 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.711 -29.762 -11.522 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.407 -28.200 -11.906 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.141 -28.928 -10.643 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.151 -28.398 -9.297 1.00 35.11 H new ATOM 0 HD2 LYS A 76 10.646 -30.538 -8.637 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.558 -31.144 -10.279 1.00 64.45 H new ATOM 0 HE2 LYS A 76 12.947 -31.331 -10.450 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.204 -30.372 -9.007 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 13.513 -32.718 -8.565 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 12.182 -32.133 -7.687 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 11.934 -33.063 -9.086 1.00 11.00 H new ATOM 1131 N SER A 77 8.963 -28.755 -8.084 1.00 50.35 N ATOM 1132 CA SER A 77 8.583 -29.490 -6.882 1.00 24.21 C ATOM 1133 C SER A 77 7.188 -29.083 -6.416 1.00 74.33 C ATOM 1134 O SER A 77 6.450 -29.892 -5.850 1.00 24.13 O ATOM 1135 CB SER A 77 9.598 -29.244 -5.765 1.00 2.11 C ATOM 1136 OG SER A 77 10.832 -29.882 -6.048 1.00 64.04 O ATOM 0 H SER A 77 9.721 -28.086 -7.948 1.00 50.35 H new ATOM 0 HA SER A 77 8.572 -30.553 -7.124 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.758 -28.173 -5.644 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.201 -29.615 -4.820 1.00 2.11 H new ATOM 0 HG SER A 77 11.426 -29.255 -6.511 1.00 64.04 H new ATOM 1142 N TYR A 78 6.834 -27.825 -6.655 1.00 62.35 N ATOM 1143 CA TYR A 78 5.530 -27.309 -6.257 1.00 72.42 C ATOM 1144 C TYR A 78 4.471 -27.639 -7.305 1.00 51.41 C ATOM 1145 O TYR A 78 3.287 -27.758 -6.991 1.00 23.54 O ATOM 1146 CB TYR A 78 5.600 -25.797 -6.045 1.00 12.14 C ATOM 1147 CG TYR A 78 4.340 -25.210 -5.449 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.755 -25.772 -4.320 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.734 -24.094 -6.014 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.604 -25.240 -3.772 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.584 -23.555 -5.471 1.00 34.34 C ATOM 1152 CZ TYR A 78 2.023 -24.131 -4.351 1.00 21.50 C ATOM 1153 OH TYR A 78 0.876 -23.597 -3.808 1.00 72.23 O ATOM 0 H TYR A 78 7.432 -27.144 -7.123 1.00 62.35 H new ATOM 0 HA TYR A 78 5.249 -27.788 -5.319 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.442 -25.569 -5.391 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.799 -25.313 -7.001 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.208 -26.640 -3.864 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.170 -23.641 -6.892 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.162 -25.690 -2.895 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.127 -22.687 -5.922 1.00 34.34 H new ATOM 0 HH TYR A 78 0.729 -22.699 -4.173 1.00 72.23 H new ATOM 1163 N TRP A 79 4.907 -27.786 -8.551 1.00 73.24 N ATOM 1164 CA TRP A 79 3.998 -28.104 -9.647 1.00 62.55 C ATOM 1165 C TRP A 79 3.652 -29.588 -9.655 1.00 11.32 C ATOM 1166 O TRP A 79 2.604 -29.989 -10.161 1.00 34.45 O ATOM 1167 CB TRP A 79 4.620 -27.704 -10.986 1.00 35.20 C ATOM 1168 CG TRP A 79 4.832 -26.227 -11.125 1.00 34.11 C ATOM 1169 CD1 TRP A 79 5.987 -25.596 -11.493 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.865 -25.197 -10.895 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.795 -24.236 -11.507 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.501 -23.965 -11.146 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.523 -25.194 -10.506 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.840 -22.746 -11.016 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.869 -23.985 -10.377 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.527 -22.774 -10.633 1.00 2.41 C ATOM 0 H TRP A 79 5.884 -27.690 -8.828 1.00 73.24 H new ATOM 0 HA TRP A 79 3.079 -27.538 -9.499 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.577 -28.213 -11.101 1.00 35.20 H new ATOM 0 HB3 TRP A 79 3.976 -28.049 -11.795 1.00 35.20 H new ATOM 0 HD1 TRP A 79 6.914 -26.093 -11.737 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.501 -23.540 -11.747 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.006 -26.122 -10.310 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.346 -21.812 -11.211 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.833 -23.972 -10.074 1.00 34.34 H new ATOM 0 HH2 TRP A 79 1.987 -21.845 -10.526 1.00 2.41 H new ATOM 1187 N LYS A 80 4.539 -30.401 -9.091 1.00 14.35 N ATOM 1188 CA LYS A 80 4.328 -31.842 -9.032 1.00 74.13 C ATOM 1189 C LYS A 80 3.373 -32.207 -7.900 1.00 72.35 C ATOM 1190 O LYS A 80 2.776 -33.282 -7.901 1.00 42.42 O ATOM 1191 CB LYS A 80 5.663 -32.567 -8.840 1.00 2.35 C ATOM 1192 CG LYS A 80 6.180 -32.522 -7.413 1.00 11.13 C ATOM 1193 CD LYS A 80 6.018 -33.864 -6.719 1.00 4.54 C ATOM 1194 CE LYS A 80 7.307 -34.671 -6.761 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.154 -35.996 -6.100 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.412 -30.086 -8.668 1.00 14.35 H new ATOM 0 HA LYS A 80 3.882 -32.157 -9.976 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.549 -33.608 -9.143 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.407 -32.122 -9.501 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.232 -32.237 -7.415 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.643 -31.755 -6.854 1.00 11.13 H new ATOM 0 HD2 LYS A 80 5.720 -33.705 -5.683 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.218 -34.429 -7.198 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.611 -34.815 -7.798 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.103 -34.110 -6.270 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 8.054 -36.515 -6.150 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 6.888 -35.858 -5.104 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 6.413 -36.542 -6.584 1.00 15.12 H new ATOM 1209 N ALA A 81 3.231 -31.301 -6.937 1.00 25.24 N ATOM 1210 CA ALA A 81 2.345 -31.526 -5.802 1.00 60.14 C ATOM 1211 C ALA A 81 0.889 -31.596 -6.248 1.00 25.04 C ATOM 1212 O ALA A 81 0.100 -32.372 -5.706 1.00 75.40 O ATOM 1213 CB ALA A 81 2.530 -30.429 -4.763 1.00 62.23 C ATOM 0 H ALA A 81 3.718 -30.405 -6.921 1.00 25.24 H new ATOM 0 HA ALA A 81 2.606 -32.484 -5.353 1.00 60.14 H new ATOM 0 HB1 ALA A 81 1.862 -30.609 -3.921 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.563 -30.429 -4.414 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.298 -29.462 -5.209 1.00 62.23 H new ATOM 1219 N LEU A 82 0.537 -30.780 -7.235 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.826 -30.749 -7.753 1.00 42.14 C ATOM 1221 C LEU A 82 -0.896 -31.379 -9.140 1.00 63.11 C ATOM 1222 O LEU A 82 -1.955 -31.827 -9.577 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.339 -29.309 -7.807 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.273 -28.214 -7.746 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.601 -28.249 -8.990 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.922 -26.847 -7.587 1.00 52.23 C ATOM 0 H LEU A 82 1.177 -30.131 -7.693 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.458 -31.328 -7.080 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.910 -29.182 -8.727 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -2.032 -29.160 -6.979 1.00 1.31 H new ATOM 0 HG LEU A 82 0.360 -28.398 -6.878 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.353 -27.463 -8.928 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.094 -29.218 -9.061 1.00 30.23 H new ATOM 0 HD13 LEU A 82 -0.017 -28.091 -9.874 1.00 30.23 H new ATOM 0 HD21 LEU A 82 -0.149 -26.080 -7.545 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.578 -26.655 -8.436 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.504 -26.826 -6.666 1.00 52.23 H new ATOM 1238 N GLY A 83 0.241 -31.410 -9.829 1.00 74.15 N ATOM 1239 CA GLY A 83 0.288 -31.990 -11.158 1.00 24.44 C ATOM 1240 C GLY A 83 0.051 -30.961 -12.247 1.00 53.33 C ATOM 1241 O GLY A 83 -0.731 -31.194 -13.170 1.00 44.53 O ATOM 0 H GLY A 83 1.130 -31.044 -9.490 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.259 -32.461 -11.312 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.463 -32.776 -11.235 1.00 24.44 H new ATOM 1245 N ILE A 84 0.725 -29.821 -12.139 1.00 11.52 N ATOM 1246 CA ILE A 84 0.583 -28.754 -13.122 1.00 73.53 C ATOM 1247 C ILE A 84 1.578 -28.924 -14.265 1.00 73.31 C ATOM 1248 O ILE A 84 2.725 -29.313 -14.050 1.00 12.13 O ATOM 1249 CB ILE A 84 0.786 -27.368 -12.481 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.567 -26.709 -12.201 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.634 -26.486 -13.384 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.534 -27.605 -11.459 1.00 31.45 C ATOM 0 H ILE A 84 1.375 -29.613 -11.381 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.432 -28.819 -13.514 1.00 73.53 H new ATOM 0 HB ILE A 84 1.310 -27.495 -11.534 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.406 -25.801 -11.619 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -1.017 -26.406 -13.146 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.768 -25.510 -12.917 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.607 -26.952 -13.538 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.135 -26.363 -14.345 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.471 -27.073 -11.295 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.725 -28.502 -12.048 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -1.104 -27.887 -10.498 1.00 31.45 H new ATOM 1264 N SER A 85 1.130 -28.627 -15.480 1.00 52.21 N ATOM 1265 CA SER A 85 1.981 -28.748 -16.659 1.00 24.12 C ATOM 1266 C SER A 85 3.288 -27.986 -16.466 1.00 3.33 C ATOM 1267 O SER A 85 3.322 -26.755 -16.448 1.00 53.24 O ATOM 1268 CB SER A 85 1.249 -28.225 -17.897 1.00 54.52 C ATOM 1269 OG SER A 85 1.890 -28.653 -19.086 1.00 23.32 O ATOM 0 H SER A 85 0.183 -28.301 -15.675 1.00 52.21 H new ATOM 0 HA SER A 85 2.215 -29.803 -16.802 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.217 -28.577 -17.889 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.215 -27.136 -17.870 1.00 54.52 H new ATOM 0 HG SER A 85 1.403 -28.308 -19.863 1.00 23.32 H new ATOM 1275 N PRO A 86 4.391 -28.734 -16.318 1.00 42.12 N ATOM 1276 CA PRO A 86 5.723 -28.152 -16.125 1.00 71.24 C ATOM 1277 C PRO A 86 6.241 -27.460 -17.381 1.00 40.35 C ATOM 1278 O PRO A 86 6.607 -28.116 -18.355 1.00 12.43 O ATOM 1279 CB PRO A 86 6.593 -29.364 -15.783 1.00 45.12 C ATOM 1280 CG PRO A 86 5.893 -30.521 -16.406 1.00 24.31 C ATOM 1281 CD PRO A 86 4.424 -30.206 -16.329 1.00 65.12 C ATOM 0 HA PRO A 86 5.723 -27.380 -15.356 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.602 -29.252 -16.180 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.687 -29.492 -14.705 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.209 -30.658 -17.440 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.122 -31.446 -15.878 1.00 24.31 H new ATOM 0 HD2 PRO A 86 3.880 -30.614 -17.181 1.00 65.12 H new ATOM 0 HD3 PRO A 86 3.970 -30.625 -15.431 1.00 65.12 H new ATOM 1289 N MET A 87 6.270 -26.131 -17.350 1.00 43.33 N ATOM 1290 CA MET A 87 6.745 -25.352 -18.487 1.00 1.42 C ATOM 1291 C MET A 87 8.198 -24.930 -18.287 1.00 55.04 C ATOM 1292 O MET A 87 8.951 -24.783 -19.250 1.00 10.13 O ATOM 1293 CB MET A 87 5.867 -24.116 -18.689 1.00 20.04 C ATOM 1294 CG MET A 87 4.457 -24.443 -19.154 1.00 72.24 C ATOM 1295 SD MET A 87 4.330 -24.567 -20.948 1.00 22.31 S ATOM 1296 CE MET A 87 2.551 -24.555 -21.163 1.00 35.42 C ATOM 0 H MET A 87 5.971 -25.572 -16.551 1.00 43.33 H new ATOM 0 HA MET A 87 6.685 -25.980 -19.376 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.813 -23.562 -17.752 1.00 20.04 H new ATOM 0 HB3 MET A 87 6.339 -23.460 -19.420 1.00 20.04 H new ATOM 0 HG2 MET A 87 4.139 -25.384 -18.705 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.773 -23.673 -18.797 1.00 72.24 H new ATOM 0 HE1 MET A 87 2.312 -24.626 -22.224 1.00 35.42 H new ATOM 0 HE2 MET A 87 2.115 -25.403 -20.636 1.00 35.42 H new ATOM 0 HE3 MET A 87 2.142 -23.628 -20.760 1.00 35.42 H new ATOM 1306 N HIS A 88 8.586 -24.735 -17.030 1.00 0.52 N ATOM 1307 CA HIS A 88 9.947 -24.331 -16.704 1.00 51.21 C ATOM 1308 C HIS A 88 10.507 -25.174 -15.563 1.00 23.12 C ATOM 1309 O HIS A 88 9.930 -25.225 -14.477 1.00 50.35 O ATOM 1310 CB HIS A 88 9.985 -22.849 -16.325 1.00 24.12 C ATOM 1311 CG HIS A 88 8.924 -22.455 -15.344 1.00 62.11 C ATOM 1312 ND1 HIS A 88 9.181 -22.227 -14.009 1.00 74.54 N ATOM 1313 CD2 HIS A 88 7.597 -22.247 -15.512 1.00 20.22 C ATOM 1314 CE1 HIS A 88 8.056 -21.897 -13.398 1.00 21.10 C ATOM 1315 NE2 HIS A 88 7.081 -21.901 -14.288 1.00 3.14 N ATOM 0 H HIS A 88 7.976 -24.851 -16.221 1.00 0.52 H new ATOM 0 HA HIS A 88 10.567 -24.489 -17.586 1.00 51.21 H new ATOM 0 HB2 HIS A 88 10.963 -22.615 -15.904 1.00 24.12 H new ATOM 0 HB3 HIS A 88 9.875 -22.248 -17.228 1.00 24.12 H new ATOM 0 HD1 HIS A 88 10.095 -22.301 -13.563 1.00 74.54 H new ATOM 0 HD2 HIS A 88 7.047 -22.337 -16.437 1.00 20.22 H new ATOM 0 HE1 HIS A 88 7.952 -21.664 -12.349 1.00 21.10 H new ATOM 1323 N GLU A 89 11.633 -25.833 -15.817 1.00 53.32 N ATOM 1324 CA GLU A 89 12.268 -26.676 -14.811 1.00 13.34 C ATOM 1325 C GLU A 89 12.465 -25.910 -13.506 1.00 2.34 C ATOM 1326 O GLU A 89 12.141 -26.406 -12.426 1.00 33.31 O ATOM 1327 CB GLU A 89 13.615 -27.192 -15.321 1.00 13.54 C ATOM 1328 CG GLU A 89 14.525 -26.095 -15.849 1.00 22.51 C ATOM 1329 CD GLU A 89 15.745 -26.643 -16.564 1.00 44.10 C ATOM 1330 OE1 GLU A 89 16.402 -27.548 -16.007 1.00 63.34 O ATOM 1331 OE2 GLU A 89 16.042 -26.170 -17.681 1.00 31.10 O1- ATOM 0 H GLU A 89 12.124 -25.799 -16.710 1.00 53.32 H new ATOM 0 HA GLU A 89 11.612 -27.525 -14.619 1.00 13.34 H new ATOM 0 HB2 GLU A 89 14.124 -27.717 -14.512 1.00 13.54 H new ATOM 0 HB3 GLU A 89 13.440 -27.920 -16.113 1.00 13.54 H new ATOM 0 HG2 GLU A 89 13.963 -25.459 -16.533 1.00 22.51 H new ATOM 0 HG3 GLU A 89 14.847 -25.465 -15.020 1.00 22.51 H new ATOM 1338 N HIS A 90 13.000 -24.698 -13.613 1.00 12.33 N ATOM 1339 CA HIS A 90 13.241 -23.862 -12.442 1.00 64.04 C ATOM 1340 C HIS A 90 13.365 -22.394 -12.839 1.00 64.34 C ATOM 1341 O HIS A 90 13.451 -22.066 -14.022 1.00 61.10 O ATOM 1342 CB HIS A 90 14.508 -24.316 -11.717 1.00 14.33 C ATOM 1343 CG HIS A 90 15.668 -24.557 -12.634 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.288 -25.783 -12.757 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.319 -23.722 -13.476 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.271 -25.691 -13.633 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.312 -24.450 -14.085 1.00 64.31 N ATOM 0 H HIS A 90 13.275 -24.273 -14.498 1.00 12.33 H new ATOM 0 HA HIS A 90 12.390 -23.967 -11.769 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.787 -23.561 -10.982 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.294 -25.232 -11.167 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.099 -22.677 -13.639 1.00 24.13 H new ATOM 0 HE1 HIS A 90 17.930 -26.494 -13.930 1.00 42.11 H new ATOM 0 HE2 HIS A 90 17.973 -24.091 -14.774 1.00 64.31 H new ATOM 1355 N ALA A 91 13.374 -21.515 -11.841 1.00 30.43 N ATOM 1356 CA ALA A 91 13.488 -20.083 -12.087 1.00 4.31 C ATOM 1357 C ALA A 91 14.747 -19.515 -11.439 1.00 13.54 C ATOM 1358 O ALA A 91 14.904 -19.565 -10.219 1.00 55.12 O ATOM 1359 CB ALA A 91 12.254 -19.358 -11.571 1.00 53.12 C ATOM 0 H ALA A 91 13.304 -21.770 -10.856 1.00 30.43 H new ATOM 0 HA ALA A 91 13.562 -19.929 -13.163 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.353 -18.289 -11.762 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.369 -19.737 -12.082 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.154 -19.527 -10.499 1.00 53.12 H new ATOM 1365 N GLU A 92 15.640 -18.975 -12.263 1.00 71.53 N ATOM 1366 CA GLU A 92 16.884 -18.399 -11.769 1.00 22.11 C ATOM 1367 C GLU A 92 16.930 -16.896 -12.030 1.00 21.04 C ATOM 1368 O GLU A 92 16.592 -16.433 -13.120 1.00 35.42 O ATOM 1369 CB GLU A 92 18.085 -19.079 -12.430 1.00 20.12 C ATOM 1370 CG GLU A 92 17.973 -20.593 -12.485 1.00 3.34 C ATOM 1371 CD GLU A 92 19.219 -21.251 -13.044 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.269 -20.577 -13.107 1.00 51.43 O ATOM 1373 OE2 GLU A 92 19.145 -22.440 -13.417 1.00 1.44 O1- ATOM 0 H GLU A 92 15.524 -18.925 -13.275 1.00 71.53 H new ATOM 0 HA GLU A 92 16.928 -18.565 -10.693 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.197 -18.694 -13.444 1.00 20.12 H new ATOM 0 HB3 GLU A 92 18.990 -18.810 -11.885 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.783 -20.976 -11.482 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.115 -20.868 -13.099 1.00 3.34 H new ATOM 1380 N VAL A 93 17.349 -16.138 -11.021 1.00 13.33 N ATOM 1381 CA VAL A 93 17.440 -14.689 -11.141 1.00 70.50 C ATOM 1382 C VAL A 93 18.717 -14.163 -10.495 1.00 3.53 C ATOM 1383 O VAL A 93 19.112 -14.613 -9.420 1.00 12.13 O ATOM 1384 CB VAL A 93 16.226 -13.995 -10.492 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.318 -12.486 -10.665 1.00 23.41 C ATOM 1386 CG2 VAL A 93 14.930 -14.530 -11.081 1.00 45.53 C ATOM 0 H VAL A 93 17.631 -16.504 -10.112 1.00 13.33 H new ATOM 0 HA VAL A 93 17.454 -14.460 -12.207 1.00 70.50 H new ATOM 0 HB VAL A 93 16.231 -14.215 -9.424 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.453 -12.013 -10.201 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.229 -12.120 -10.191 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.338 -12.242 -11.727 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.083 -14.029 -10.612 1.00 45.53 H new ATOM 0 HG22 VAL A 93 14.913 -14.342 -12.155 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.863 -15.603 -10.900 1.00 45.53 H new ATOM 1396 N VAL A 94 19.358 -13.205 -11.158 1.00 2.22 N ATOM 1397 CA VAL A 94 20.590 -12.616 -10.649 1.00 2.02 C ATOM 1398 C VAL A 94 20.337 -11.229 -10.069 1.00 12.31 C ATOM 1399 O VAL A 94 19.641 -10.410 -10.671 1.00 50.11 O ATOM 1400 CB VAL A 94 21.661 -12.512 -11.752 1.00 14.01 C ATOM 1401 CG1 VAL A 94 22.926 -11.867 -11.208 1.00 20.21 C ATOM 1402 CG2 VAL A 94 21.960 -13.886 -12.333 1.00 30.43 C ATOM 0 H VAL A 94 19.044 -12.821 -12.049 1.00 2.22 H new ATOM 0 HA VAL A 94 20.954 -13.276 -9.861 1.00 2.02 H new ATOM 0 HB VAL A 94 21.275 -11.880 -12.552 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.671 -11.802 -12.001 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.696 -10.866 -10.843 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.319 -12.470 -10.390 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.718 -13.795 -13.111 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.326 -14.543 -11.544 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.050 -14.306 -12.761 1.00 30.43 H new ATOM 1412 N PHE A 95 20.908 -10.969 -8.897 1.00 1.21 N ATOM 1413 CA PHE A 95 20.744 -9.681 -8.236 1.00 71.43 C ATOM 1414 C PHE A 95 22.100 -9.060 -7.910 1.00 71.25 C ATOM 1415 O PHE A 95 22.981 -9.718 -7.356 1.00 40.21 O ATOM 1416 CB PHE A 95 19.924 -9.842 -6.954 1.00 71.11 C ATOM 1417 CG PHE A 95 18.676 -10.655 -7.139 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.718 -12.039 -7.070 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.460 -10.037 -7.384 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.570 -12.789 -7.242 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.309 -10.783 -7.555 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.364 -12.161 -7.483 1.00 23.11 C ATOM 0 H PHE A 95 21.488 -11.634 -8.386 1.00 1.21 H new ATOM 0 HA PHE A 95 20.213 -9.016 -8.918 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.545 -10.313 -6.192 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.653 -8.855 -6.579 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.658 -12.536 -6.880 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.411 -8.960 -7.442 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.616 -13.867 -7.188 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.368 -10.289 -7.745 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.466 -12.746 -7.615 1.00 23.11 H new ATOM 1432 N THR A 96 22.261 -7.788 -8.261 1.00 53.44 N ATOM 1433 CA THR A 96 23.508 -7.077 -8.009 1.00 53.12 C ATOM 1434 C THR A 96 23.369 -6.121 -6.832 1.00 30.54 C ATOM 1435 O THR A 96 22.372 -5.408 -6.715 1.00 64.13 O ATOM 1436 CB THR A 96 23.963 -6.284 -9.250 1.00 32.55 C ATOM 1437 OG1 THR A 96 23.987 -7.141 -10.397 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.344 -5.684 -9.031 1.00 22.52 C ATOM 0 H THR A 96 21.543 -7.229 -8.721 1.00 53.44 H new ATOM 0 HA THR A 96 24.259 -7.831 -7.773 1.00 53.12 H new ATOM 0 HB THR A 96 23.253 -5.474 -9.417 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.275 -6.629 -11.182 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.645 -5.129 -9.920 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.316 -5.010 -8.174 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.062 -6.482 -8.842 1.00 22.52 H new ATOM 1446 N ALA A 97 24.373 -6.109 -5.962 1.00 62.01 N ATOM 1447 CA ALA A 97 24.362 -5.236 -4.794 1.00 43.35 C ATOM 1448 C ALA A 97 24.772 -3.816 -5.166 1.00 12.42 C ATOM 1449 O ALA A 97 25.411 -3.593 -6.194 1.00 52.21 O ATOM 1450 CB ALA A 97 25.283 -5.788 -3.715 1.00 10.43 C ATOM 0 H ALA A 97 25.205 -6.694 -6.044 1.00 62.01 H new ATOM 0 HA ALA A 97 23.344 -5.202 -4.406 1.00 43.35 H new ATOM 0 HB1 ALA A 97 25.266 -5.127 -2.849 1.00 10.43 H new ATOM 0 HB2 ALA A 97 24.944 -6.781 -3.420 1.00 10.43 H new ATOM 0 HB3 ALA A 97 26.300 -5.852 -4.102 1.00 10.43 H new ATOM 1456 N ASN A 98 24.399 -2.858 -4.324 1.00 22.42 N ATOM 1457 CA ASN A 98 24.726 -1.457 -4.566 1.00 70.24 C ATOM 1458 C ASN A 98 25.587 -0.897 -3.438 1.00 0.21 C ATOM 1459 O ASN A 98 25.927 -1.608 -2.492 1.00 44.32 O ATOM 1460 CB ASN A 98 23.448 -0.629 -4.707 1.00 53.32 C ATOM 1461 CG ASN A 98 23.613 0.531 -5.670 1.00 65.42 C ATOM 1462 OD1 ASN A 98 24.072 1.608 -5.290 1.00 61.01 O ATOM 1463 ND2 ASN A 98 23.238 0.315 -6.926 1.00 50.32 N ATOM 0 H ASN A 98 23.870 -3.026 -3.468 1.00 22.42 H new ATOM 0 HA ASN A 98 25.292 -1.398 -5.495 1.00 70.24 H new ATOM 0 HB2 ASN A 98 22.638 -1.272 -5.052 1.00 53.32 H new ATOM 0 HB3 ASN A 98 23.156 -0.247 -3.729 1.00 53.32 H new ATOM 0 HD21 ASN A 98 23.326 1.058 -7.619 1.00 50.32 H new ATOM 0 HD22 ASN A 98 22.863 -0.594 -7.197 1.00 50.32 H new ATOM 1470 N ASP A 99 25.934 0.380 -3.544 1.00 15.12 N ATOM 1471 CA ASP A 99 26.752 1.037 -2.532 1.00 4.24 C ATOM 1472 C ASP A 99 26.095 0.947 -1.159 1.00 73.21 C ATOM 1473 O ASP A 99 24.984 0.435 -1.024 1.00 53.11 O ATOM 1474 CB ASP A 99 26.984 2.502 -2.905 1.00 62.12 C ATOM 1475 CG ASP A 99 28.320 3.023 -2.409 1.00 13.14 C ATOM 1476 OD1 ASP A 99 29.299 2.248 -2.421 1.00 55.13 O ATOM 1477 OD2 ASP A 99 28.385 4.203 -2.007 1.00 52.50 O1- ATOM 0 H ASP A 99 25.661 0.982 -4.321 1.00 15.12 H new ATOM 0 HA ASP A 99 27.713 0.525 -2.489 1.00 4.24 H new ATOM 0 HB2 ASP A 99 26.935 2.610 -3.989 1.00 62.12 H new ATOM 0 HB3 ASP A 99 26.182 3.111 -2.488 1.00 62.12 H new ATOM 1482 N SER A 100 26.790 1.446 -0.141 1.00 64.11 N ATOM 1483 CA SER A 100 26.277 1.418 1.223 1.00 51.44 C ATOM 1484 C SER A 100 26.100 -0.018 1.706 1.00 2.13 C ATOM 1485 O SER A 100 25.176 -0.323 2.460 1.00 24.13 O ATOM 1486 CB SER A 100 24.942 2.163 1.304 1.00 72.33 C ATOM 1487 OG SER A 100 24.725 2.679 2.606 1.00 61.25 O ATOM 0 H SER A 100 27.711 1.875 -0.236 1.00 64.11 H new ATOM 0 HA SER A 100 27.002 1.914 1.868 1.00 51.44 H new ATOM 0 HB2 SER A 100 24.932 2.978 0.580 1.00 72.33 H new ATOM 0 HB3 SER A 100 24.129 1.489 1.036 1.00 72.33 H new ATOM 0 HG SER A 100 23.867 3.152 2.632 1.00 61.25 H new ATOM 1493 N GLY A 101 26.994 -0.899 1.267 1.00 42.21 N ATOM 1494 CA GLY A 101 26.920 -2.293 1.664 1.00 53.22 C ATOM 1495 C GLY A 101 25.563 -2.905 1.381 1.00 10.13 C ATOM 1496 O GLY A 101 24.735 -2.332 0.674 1.00 41.01 O ATOM 0 H GLY A 101 27.768 -0.672 0.643 1.00 42.21 H new ATOM 0 HA2 GLY A 101 27.688 -2.859 1.136 1.00 53.22 H new ATOM 0 HA3 GLY A 101 27.138 -2.376 2.729 1.00 53.22 H new ATOM 1500 N PRO A 102 25.320 -4.099 1.942 1.00 72.31 N ATOM 1501 CA PRO A 102 24.055 -4.816 1.760 1.00 62.41 C ATOM 1502 C PRO A 102 22.893 -4.134 2.476 1.00 55.41 C ATOM 1503 O PRO A 102 23.038 -3.031 3.002 1.00 30.03 O ATOM 1504 CB PRO A 102 24.332 -6.188 2.379 1.00 3.05 C ATOM 1505 CG PRO A 102 25.416 -5.944 3.372 1.00 21.03 C ATOM 1506 CD PRO A 102 26.261 -4.841 2.798 1.00 22.35 C ATOM 0 HA PRO A 102 23.758 -4.858 0.712 1.00 62.41 H new ATOM 0 HB2 PRO A 102 23.441 -6.594 2.858 1.00 3.05 H new ATOM 0 HB3 PRO A 102 24.643 -6.908 1.622 1.00 3.05 H new ATOM 0 HG2 PRO A 102 25.003 -5.656 4.339 1.00 21.03 H new ATOM 0 HG3 PRO A 102 26.007 -6.845 3.534 1.00 21.03 H new ATOM 0 HD2 PRO A 102 26.679 -4.207 3.580 1.00 22.35 H new ATOM 0 HD3 PRO A 102 27.100 -5.235 2.225 1.00 22.35 H new ATOM 1514 N ARG A 103 21.742 -4.798 2.490 1.00 52.42 N ATOM 1515 CA ARG A 103 20.555 -4.254 3.140 1.00 64.24 C ATOM 1516 C ARG A 103 19.521 -5.350 3.388 1.00 1.20 C ATOM 1517 O ARG A 103 19.467 -6.341 2.660 1.00 43.01 O ATOM 1518 CB ARG A 103 19.942 -3.143 2.286 1.00 21.14 C ATOM 1519 CG ARG A 103 18.889 -2.325 3.014 1.00 71.15 C ATOM 1520 CD ARG A 103 19.498 -1.520 4.151 1.00 40.02 C ATOM 1521 NE ARG A 103 20.477 -0.548 3.672 1.00 23.44 N ATOM 1522 CZ ARG A 103 21.318 0.102 4.469 1.00 72.30 C ATOM 1523 NH1 ARG A 103 21.299 -0.115 5.776 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 22.180 0.971 3.957 1.00 23.55 N ATOM 0 H ARG A 103 21.606 -5.713 2.059 1.00 52.42 H new ATOM 0 HA ARG A 103 20.857 -3.838 4.101 1.00 64.24 H new ATOM 0 HB2 ARG A 103 20.736 -2.478 1.946 1.00 21.14 H new ATOM 0 HB3 ARG A 103 19.495 -3.586 1.396 1.00 21.14 H new ATOM 0 HG2 ARG A 103 18.400 -1.651 2.311 1.00 71.15 H new ATOM 0 HG3 ARG A 103 18.119 -2.989 3.408 1.00 71.15 H new ATOM 0 HD2 ARG A 103 18.707 -1.001 4.692 1.00 40.02 H new ATOM 0 HD3 ARG A 103 19.976 -2.197 4.859 1.00 40.02 H new ATOM 0 HE ARG A 103 20.517 -0.358 2.671 1.00 23.44 H new ATOM 0 HH11 ARG A 103 20.638 -0.783 6.173 1.00 12.31 H new ATOM 0 HH12 ARG A 103 21.946 0.385 6.386 1.00 12.31 H new ATOM 0 HH21 ARG A 103 22.197 1.140 2.951 1.00 23.55 H new ATOM 0 HH22 ARG A 103 22.826 1.470 4.569 1.00 23.55 H new ATOM 1538 N ARG A 104 18.704 -5.162 4.419 1.00 42.23 N ATOM 1539 CA ARG A 104 17.674 -6.134 4.763 1.00 3.34 C ATOM 1540 C ARG A 104 16.365 -5.818 4.045 1.00 11.24 C ATOM 1541 O ARG A 104 15.676 -4.856 4.384 1.00 3.33 O ATOM 1542 CB ARG A 104 17.445 -6.152 6.276 1.00 1.21 C ATOM 1543 CG ARG A 104 17.028 -7.512 6.813 1.00 52.32 C ATOM 1544 CD ARG A 104 16.147 -7.378 8.045 1.00 23.35 C ATOM 1545 NE ARG A 104 16.734 -6.488 9.043 1.00 23.43 N ATOM 1546 CZ ARG A 104 17.800 -6.802 9.771 1.00 61.22 C ATOM 1547 NH1 ARG A 104 18.393 -7.977 9.611 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 18.276 -5.938 10.659 1.00 61.40 N ATOM 0 H ARG A 104 18.735 -4.346 5.030 1.00 42.23 H new ATOM 0 HA ARG A 104 18.017 -7.117 4.441 1.00 3.34 H new ATOM 0 HB2 ARG A 104 18.361 -5.838 6.777 1.00 1.21 H new ATOM 0 HB3 ARG A 104 16.677 -5.420 6.527 1.00 1.21 H new ATOM 0 HG2 ARG A 104 16.492 -8.061 6.039 1.00 52.32 H new ATOM 0 HG3 ARG A 104 17.915 -8.094 7.061 1.00 52.32 H new ATOM 0 HD2 ARG A 104 15.168 -6.998 7.751 1.00 23.35 H new ATOM 0 HD3 ARG A 104 15.988 -8.362 8.486 1.00 23.35 H new ATOM 0 HE ARG A 104 16.302 -5.576 9.189 1.00 23.43 H new ATOM 0 HH11 ARG A 104 18.031 -8.642 8.928 1.00 21.23 H new ATOM 0 HH12 ARG A 104 19.211 -8.216 10.171 1.00 21.23 H new ATOM 0 HH21 ARG A 104 17.823 -5.032 10.783 1.00 61.40 H new ATOM 0 HH22 ARG A 104 19.094 -6.180 11.218 1.00 61.40 H new ATOM 1562 N TYR A 105 16.031 -6.632 3.050 1.00 64.52 N ATOM 1563 CA TYR A 105 14.808 -6.437 2.280 1.00 43.23 C ATOM 1564 C TYR A 105 14.245 -7.773 1.807 1.00 12.34 C ATOM 1565 O TYR A 105 14.965 -8.767 1.712 1.00 73.32 O ATOM 1566 CB TYR A 105 15.074 -5.528 1.080 1.00 4.01 C ATOM 1567 CG TYR A 105 16.238 -5.979 0.226 1.00 12.10 C ATOM 1568 CD1 TYR A 105 16.121 -7.075 -0.620 1.00 32.04 C ATOM 1569 CD2 TYR A 105 17.455 -5.308 0.264 1.00 71.31 C ATOM 1570 CE1 TYR A 105 17.183 -7.490 -1.401 1.00 72.42 C ATOM 1571 CE2 TYR A 105 18.520 -5.716 -0.514 1.00 24.24 C ATOM 1572 CZ TYR A 105 18.379 -6.807 -1.345 1.00 22.41 C ATOM 1573 OH TYR A 105 19.438 -7.218 -2.123 1.00 41.31 O ATOM 0 H TYR A 105 16.590 -7.433 2.758 1.00 64.52 H new ATOM 0 HA TYR A 105 14.072 -5.962 2.929 1.00 43.23 H new ATOM 0 HB2 TYR A 105 14.177 -5.483 0.463 1.00 4.01 H new ATOM 0 HB3 TYR A 105 15.266 -4.516 1.437 1.00 4.01 H new ATOM 0 HD1 TYR A 105 15.185 -7.611 -0.668 1.00 32.04 H new ATOM 0 HD2 TYR A 105 17.569 -4.453 0.913 1.00 71.31 H new ATOM 0 HE1 TYR A 105 17.076 -8.345 -2.052 1.00 72.42 H new ATOM 0 HE2 TYR A 105 19.459 -5.183 -0.472 1.00 24.24 H new ATOM 0 HH TYR A 105 20.206 -6.630 -1.967 1.00 41.31 H new ATOM 1583 N THR A 106 12.948 -7.789 1.508 1.00 61.33 N ATOM 1584 CA THR A 106 12.286 -9.001 1.044 1.00 12.11 C ATOM 1585 C THR A 106 12.016 -8.941 -0.454 1.00 32.31 C ATOM 1586 O THR A 106 11.691 -7.883 -0.994 1.00 11.53 O ATOM 1587 CB THR A 106 10.956 -9.233 1.785 1.00 42.34 C ATOM 1588 OG1 THR A 106 11.194 -9.370 3.190 1.00 34.34 O ATOM 1589 CG2 THR A 106 10.254 -10.477 1.262 1.00 20.22 C ATOM 0 H THR A 106 12.337 -6.976 1.579 1.00 61.33 H new ATOM 0 HA THR A 106 12.961 -9.830 1.255 1.00 12.11 H new ATOM 0 HB THR A 106 10.313 -8.371 1.608 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.798 -10.208 3.509 1.00 34.34 H new ATOM 0 HG21 THR A 106 9.317 -10.620 1.801 1.00 20.22 H new ATOM 0 HG22 THR A 106 10.046 -10.358 0.199 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.895 -11.346 1.411 1.00 20.22 H new ATOM 1597 N ILE A 107 12.153 -10.082 -1.123 1.00 71.42 N ATOM 1598 CA ILE A 107 11.922 -10.157 -2.560 1.00 74.04 C ATOM 1599 C ILE A 107 10.625 -10.898 -2.869 1.00 33.14 C ATOM 1600 O ILE A 107 10.477 -12.074 -2.539 1.00 43.14 O ATOM 1601 CB ILE A 107 13.087 -10.861 -3.281 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.399 -10.118 -3.021 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.809 -10.950 -4.774 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.367 -8.668 -3.448 1.00 2.32 C ATOM 0 H ILE A 107 12.423 -10.966 -0.692 1.00 71.42 H new ATOM 0 HA ILE A 107 11.848 -9.132 -2.923 1.00 74.04 H new ATOM 0 HB ILE A 107 13.180 -11.873 -2.888 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.632 -10.170 -1.957 1.00 62.44 H new ATOM 0 HG13 ILE A 107 15.206 -10.626 -3.549 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.641 -11.450 -5.270 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.893 -11.518 -4.940 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.693 -9.946 -5.183 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.330 -8.204 -3.234 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.165 -8.608 -4.517 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.583 -8.145 -2.901 1.00 2.32 H new ATOM 1616 N ALA A 108 9.690 -10.201 -3.507 1.00 44.40 N ATOM 1617 CA ALA A 108 8.407 -10.794 -3.866 1.00 61.41 C ATOM 1618 C ALA A 108 8.431 -11.330 -5.294 1.00 62.14 C ATOM 1619 O ALA A 108 8.598 -10.572 -6.249 1.00 70.45 O ATOM 1620 CB ALA A 108 7.291 -9.774 -3.700 1.00 74.04 C ATOM 0 H ALA A 108 9.797 -9.226 -3.786 1.00 44.40 H new ATOM 0 HA ALA A 108 8.220 -11.632 -3.195 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.339 -10.229 -3.971 1.00 74.04 H new ATOM 0 HB2 ALA A 108 7.252 -9.443 -2.662 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.481 -8.918 -4.347 1.00 74.04 H new ATOM 1626 N ALA A 109 8.262 -12.641 -5.431 1.00 63.14 N ATOM 1627 CA ALA A 109 8.261 -13.277 -6.742 1.00 74.21 C ATOM 1628 C ALA A 109 7.011 -14.127 -6.940 1.00 35.54 C ATOM 1629 O ALA A 109 6.558 -14.805 -6.019 1.00 62.10 O ATOM 1630 CB ALA A 109 9.511 -14.128 -6.916 1.00 25.13 C ATOM 0 H ALA A 109 8.124 -13.283 -4.650 1.00 63.14 H new ATOM 0 HA ALA A 109 8.259 -12.492 -7.498 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.498 -14.597 -7.900 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.396 -13.498 -6.827 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.536 -14.899 -6.146 1.00 25.13 H new ATOM 1636 N MET A 110 6.457 -14.085 -8.147 1.00 70.32 N ATOM 1637 CA MET A 110 5.258 -14.851 -8.465 1.00 45.12 C ATOM 1638 C MET A 110 5.569 -15.955 -9.471 1.00 15.33 C ATOM 1639 O MET A 110 6.411 -15.785 -10.354 1.00 41.41 O ATOM 1640 CB MET A 110 4.170 -13.930 -9.022 1.00 74.03 C ATOM 1641 CG MET A 110 3.387 -13.196 -7.946 1.00 13.10 C ATOM 1642 SD MET A 110 1.642 -13.014 -8.358 1.00 31.04 S ATOM 1643 CE MET A 110 0.880 -13.923 -7.014 1.00 0.14 C ATOM 0 H MET A 110 6.819 -13.528 -8.921 1.00 70.32 H new ATOM 0 HA MET A 110 4.898 -15.312 -7.545 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.629 -13.199 -9.688 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.479 -14.520 -9.624 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.479 -13.736 -7.003 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.825 -12.210 -7.793 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.145 -14.178 -7.282 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.444 -14.837 -6.827 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.877 -13.308 -6.114 1.00 0.14 H new ATOM 1653 N LEU A 111 4.886 -17.086 -9.332 1.00 31.10 N ATOM 1654 CA LEU A 111 5.090 -18.219 -10.229 1.00 3.04 C ATOM 1655 C LEU A 111 3.941 -18.338 -11.225 1.00 63.32 C ATOM 1656 O LEU A 111 2.786 -18.508 -10.838 1.00 10.01 O ATOM 1657 CB LEU A 111 5.220 -19.513 -9.426 1.00 34.42 C ATOM 1658 CG LEU A 111 6.646 -19.990 -9.146 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.515 -18.829 -8.687 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.643 -21.101 -8.106 1.00 11.55 C ATOM 0 H LEU A 111 4.186 -17.243 -8.607 1.00 31.10 H new ATOM 0 HA LEU A 111 6.012 -18.050 -10.785 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.710 -19.378 -8.472 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.693 -20.303 -9.960 1.00 34.42 H new ATOM 0 HG LEU A 111 7.064 -20.388 -10.071 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.526 -19.186 -8.492 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.543 -18.066 -9.465 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.099 -18.402 -7.775 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.666 -21.428 -7.920 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.206 -20.730 -7.179 1.00 11.55 H new ATOM 0 HD23 LEU A 111 6.055 -21.942 -8.474 1.00 11.55 H new ATOM 1672 N SER A 112 4.267 -18.248 -12.511 1.00 73.51 N ATOM 1673 CA SER A 112 3.263 -18.345 -13.563 1.00 51.32 C ATOM 1674 C SER A 112 3.862 -18.941 -14.833 1.00 24.21 C ATOM 1675 O SER A 112 4.435 -18.241 -15.668 1.00 14.52 O ATOM 1676 CB SER A 112 2.673 -16.965 -13.862 1.00 2.41 C ATOM 1677 OG SER A 112 1.340 -17.071 -14.331 1.00 5.42 O ATOM 0 H SER A 112 5.219 -18.108 -12.849 1.00 73.51 H new ATOM 0 HA SER A 112 2.468 -19.004 -13.214 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.697 -16.353 -12.961 1.00 2.41 H new ATOM 0 HB3 SER A 112 3.285 -16.458 -14.608 1.00 2.41 H new ATOM 0 HG SER A 112 0.985 -16.176 -14.513 1.00 5.42 H new ATOM 1683 N PRO A 113 3.727 -20.266 -14.984 1.00 54.43 N ATOM 1684 CA PRO A 113 4.247 -20.987 -16.150 1.00 23.13 C ATOM 1685 C PRO A 113 3.474 -20.665 -17.424 1.00 42.52 C ATOM 1686 O PRO A 113 4.013 -20.753 -18.527 1.00 32.13 O ATOM 1687 CB PRO A 113 4.061 -22.459 -15.769 1.00 11.42 C ATOM 1688 CG PRO A 113 2.940 -22.457 -14.788 1.00 14.31 C ATOM 1689 CD PRO A 113 3.055 -21.164 -14.030 1.00 11.21 C ATOM 0 HA PRO A 113 5.280 -20.716 -16.369 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.822 -23.067 -16.642 1.00 11.42 H new ATOM 0 HB3 PRO A 113 4.970 -22.873 -15.331 1.00 11.42 H new ATOM 0 HG2 PRO A 113 1.978 -22.528 -15.295 1.00 14.31 H new ATOM 0 HG3 PRO A 113 3.009 -23.311 -14.115 1.00 14.31 H new ATOM 0 HD2 PRO A 113 2.077 -20.781 -13.739 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.635 -21.285 -13.115 1.00 11.21 H new ATOM 1697 N TYR A 114 2.209 -20.292 -17.264 1.00 23.21 N ATOM 1698 CA TYR A 114 1.361 -19.958 -18.402 1.00 4.41 C ATOM 1699 C TYR A 114 1.623 -18.532 -18.877 1.00 5.12 C ATOM 1700 O TYR A 114 2.047 -18.311 -20.011 1.00 62.34 O ATOM 1701 CB TYR A 114 -0.113 -20.122 -18.032 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.411 -21.398 -17.278 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.740 -22.566 -17.955 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.363 -21.437 -15.891 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -1.012 -23.735 -17.271 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.632 -22.602 -15.199 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.957 -23.748 -15.893 1.00 23.21 C ATOM 1708 OH TYR A 114 -1.228 -24.910 -15.207 1.00 44.10 O ATOM 0 H TYR A 114 1.748 -20.213 -16.357 1.00 23.21 H new ATOM 0 HA TYR A 114 1.602 -20.642 -19.215 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.423 -19.271 -17.426 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.712 -20.100 -18.942 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.784 -22.560 -19.034 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.111 -20.541 -15.343 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -1.266 -24.634 -17.813 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.588 -22.615 -14.120 1.00 70.43 H new ATOM 0 HH TYR A 114 -0.974 -25.681 -15.756 1.00 44.10 H new ATOM 1718 N SER A 115 1.367 -17.566 -17.999 1.00 54.30 N ATOM 1719 CA SER A 115 1.571 -16.160 -18.328 1.00 50.32 C ATOM 1720 C SER A 115 3.002 -15.732 -18.016 1.00 24.11 C ATOM 1721 O SER A 115 3.818 -16.535 -17.562 1.00 43.12 O ATOM 1722 CB SER A 115 0.584 -15.285 -17.553 1.00 73.32 C ATOM 1723 OG SER A 115 -0.746 -15.743 -17.724 1.00 23.24 O ATOM 0 H SER A 115 1.018 -17.732 -17.055 1.00 54.30 H new ATOM 0 HA SER A 115 1.397 -16.033 -19.396 1.00 50.32 H new ATOM 0 HB2 SER A 115 0.841 -15.292 -16.494 1.00 73.32 H new ATOM 0 HB3 SER A 115 0.663 -14.253 -17.894 1.00 73.32 H new ATOM 0 HG SER A 115 -1.357 -15.168 -17.218 1.00 23.24 H new ATOM 1729 N TYR A 116 3.298 -14.461 -18.261 1.00 51.11 N ATOM 1730 CA TYR A 116 4.630 -13.925 -18.009 1.00 44.22 C ATOM 1731 C TYR A 116 4.947 -13.930 -16.517 1.00 31.31 C ATOM 1732 O TYR A 116 4.122 -13.533 -15.695 1.00 23.43 O ATOM 1733 CB TYR A 116 4.744 -12.502 -18.560 1.00 65.40 C ATOM 1734 CG TYR A 116 3.858 -11.505 -17.848 1.00 71.35 C ATOM 1735 CD1 TYR A 116 2.530 -11.337 -18.218 1.00 11.14 C ATOM 1736 CD2 TYR A 116 4.351 -10.731 -16.804 1.00 61.42 C ATOM 1737 CE1 TYR A 116 1.718 -10.426 -17.570 1.00 2.33 C ATOM 1738 CE2 TYR A 116 3.545 -9.819 -16.150 1.00 43.15 C ATOM 1739 CZ TYR A 116 2.230 -9.669 -16.538 1.00 73.22 C ATOM 1740 OH TYR A 116 1.424 -8.762 -15.888 1.00 0.32 O ATOM 0 H TYR A 116 2.634 -13.783 -18.634 1.00 51.11 H new ATOM 0 HA TYR A 116 5.352 -14.564 -18.518 1.00 44.22 H new ATOM 0 HB2 TYR A 116 5.781 -12.174 -18.484 1.00 65.40 H new ATOM 0 HB3 TYR A 116 4.489 -12.510 -19.620 1.00 65.40 H new ATOM 0 HD1 TYR A 116 2.125 -11.928 -19.026 1.00 11.14 H new ATOM 0 HD2 TYR A 116 5.381 -10.844 -16.499 1.00 61.42 H new ATOM 0 HE1 TYR A 116 0.687 -10.308 -17.871 1.00 2.33 H new ATOM 0 HE2 TYR A 116 3.943 -9.227 -15.339 1.00 43.15 H new ATOM 0 HH TYR A 116 1.938 -8.312 -15.186 1.00 0.32 H new ATOM 1750 N SER A 117 6.150 -14.381 -16.175 1.00 62.40 N ATOM 1751 CA SER A 117 6.576 -14.443 -14.782 1.00 41.11 C ATOM 1752 C SER A 117 6.679 -13.042 -14.184 1.00 1.43 C ATOM 1753 O SER A 117 6.738 -12.048 -14.907 1.00 74.14 O ATOM 1754 CB SER A 117 7.923 -15.158 -14.669 1.00 43.31 C ATOM 1755 OG SER A 117 7.946 -16.329 -15.467 1.00 60.44 O ATOM 0 H SER A 117 6.847 -14.709 -16.844 1.00 62.40 H new ATOM 0 HA SER A 117 5.828 -15.005 -14.223 1.00 41.11 H new ATOM 0 HB2 SER A 117 8.723 -14.486 -14.980 1.00 43.31 H new ATOM 0 HB3 SER A 117 8.114 -15.419 -13.628 1.00 43.31 H new ATOM 0 HG SER A 117 8.818 -16.768 -15.379 1.00 60.44 H new ATOM 1761 N THR A 118 6.702 -12.973 -12.856 1.00 44.23 N ATOM 1762 CA THR A 118 6.798 -11.697 -12.160 1.00 62.12 C ATOM 1763 C THR A 118 7.851 -11.749 -11.060 1.00 51.22 C ATOM 1764 O THR A 118 7.903 -12.700 -10.281 1.00 52.03 O ATOM 1765 CB THR A 118 5.446 -11.291 -11.542 1.00 41.11 C ATOM 1766 OG1 THR A 118 4.379 -11.984 -12.200 1.00 53.34 O ATOM 1767 CG2 THR A 118 5.228 -9.790 -11.653 1.00 30.23 C ATOM 0 H THR A 118 6.655 -13.786 -12.242 1.00 44.23 H new ATOM 0 HA THR A 118 7.088 -10.953 -12.902 1.00 62.12 H new ATOM 0 HB THR A 118 5.458 -11.562 -10.486 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.523 -11.722 -11.801 1.00 53.34 H new ATOM 0 HG21 THR A 118 4.267 -9.528 -11.210 1.00 30.23 H new ATOM 0 HG22 THR A 118 6.026 -9.267 -11.126 1.00 30.23 H new ATOM 0 HG23 THR A 118 5.235 -9.498 -12.703 1.00 30.23 H new ATOM 1775 N MET A 119 8.690 -10.718 -11.000 1.00 51.10 N ATOM 1776 CA MET A 119 9.742 -10.647 -9.993 1.00 43.42 C ATOM 1777 C MET A 119 9.983 -9.203 -9.562 1.00 2.14 C ATOM 1778 O MET A 119 10.397 -8.367 -10.363 1.00 61.44 O ATOM 1779 CB MET A 119 11.037 -11.253 -10.534 1.00 20.41 C ATOM 1780 CG MET A 119 12.214 -11.125 -9.580 1.00 61.24 C ATOM 1781 SD MET A 119 11.985 -12.073 -8.063 1.00 43.35 S ATOM 1782 CE MET A 119 13.080 -13.459 -8.363 1.00 1.53 C ATOM 0 H MET A 119 8.661 -9.922 -11.637 1.00 51.10 H new ATOM 0 HA MET A 119 9.418 -11.219 -9.123 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.871 -12.308 -10.753 1.00 20.41 H new ATOM 0 HB3 MET A 119 11.290 -10.767 -11.477 1.00 20.41 H new ATOM 0 HG2 MET A 119 13.121 -11.462 -10.081 1.00 61.24 H new ATOM 0 HG3 MET A 119 12.360 -10.075 -9.329 1.00 61.24 H new ATOM 0 HE1 MET A 119 13.300 -13.959 -7.420 1.00 1.53 H new ATOM 0 HE2 MET A 119 12.599 -14.162 -9.043 1.00 1.53 H new ATOM 0 HE3 MET A 119 14.008 -13.100 -8.809 1.00 1.53 H new ATOM 1792 N ALA A 120 9.722 -8.919 -8.290 1.00 51.45 N ATOM 1793 CA ALA A 120 9.913 -7.578 -7.753 1.00 71.34 C ATOM 1794 C ALA A 120 11.216 -7.482 -6.966 1.00 72.32 C ATOM 1795 O ALA A 120 11.575 -8.398 -6.227 1.00 32.22 O ATOM 1796 CB ALA A 120 8.734 -7.189 -6.873 1.00 12.35 C ATOM 0 H ALA A 120 9.378 -9.600 -7.613 1.00 51.45 H new ATOM 0 HA ALA A 120 9.973 -6.883 -8.591 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.890 -6.185 -6.479 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.818 -7.209 -7.463 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.649 -7.894 -6.046 1.00 12.35 H new ATOM 1802 N VAL A 121 11.922 -6.367 -7.132 1.00 53.02 N ATOM 1803 CA VAL A 121 13.184 -6.151 -6.437 1.00 21.22 C ATOM 1804 C VAL A 121 13.163 -4.846 -5.651 1.00 45.24 C ATOM 1805 O VAL A 121 12.555 -3.863 -6.073 1.00 55.42 O ATOM 1806 CB VAL A 121 14.369 -6.126 -7.421 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.690 -6.092 -6.667 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.310 -7.325 -8.356 1.00 33.42 C ATOM 0 H VAL A 121 11.640 -5.600 -7.742 1.00 53.02 H new ATOM 0 HA VAL A 121 13.312 -6.985 -5.747 1.00 21.22 H new ATOM 0 HB VAL A 121 14.299 -5.220 -8.023 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.515 -6.075 -7.379 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.730 -5.199 -6.043 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.773 -6.978 -6.038 1.00 73.31 H new ATOM 0 HG21 VAL A 121 15.154 -7.291 -9.044 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.354 -8.244 -7.772 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.379 -7.299 -8.922 1.00 33.42 H new ATOM 1818 N VAL A 122 13.833 -4.842 -4.502 1.00 24.04 N ATOM 1819 CA VAL A 122 13.893 -3.657 -3.656 1.00 52.24 C ATOM 1820 C VAL A 122 15.307 -3.089 -3.603 1.00 2.02 C ATOM 1821 O VAL A 122 16.227 -3.730 -3.094 1.00 64.54 O ATOM 1822 CB VAL A 122 13.422 -3.965 -2.222 1.00 41.24 C ATOM 1823 CG1 VAL A 122 13.314 -2.685 -1.408 1.00 71.54 C ATOM 1824 CG2 VAL A 122 12.094 -4.705 -2.246 1.00 53.13 C ATOM 0 H VAL A 122 14.342 -5.647 -4.136 1.00 24.04 H new ATOM 0 HA VAL A 122 13.224 -2.919 -4.100 1.00 52.24 H new ATOM 0 HB VAL A 122 14.162 -4.608 -1.745 1.00 41.24 H new ATOM 0 HG11 VAL A 122 12.980 -2.923 -0.398 1.00 71.54 H new ATOM 0 HG12 VAL A 122 14.289 -2.199 -1.363 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.596 -2.014 -1.879 1.00 71.54 H new ATOM 0 HG21 VAL A 122 11.776 -4.915 -1.225 1.00 53.13 H new ATOM 0 HG22 VAL A 122 11.343 -4.089 -2.741 1.00 53.13 H new ATOM 0 HG23 VAL A 122 12.210 -5.643 -2.790 1.00 53.13 H new ATOM 1834 N THR A 123 15.475 -1.882 -4.134 1.00 65.41 N ATOM 1835 CA THR A 123 16.778 -1.228 -4.149 1.00 45.23 C ATOM 1836 C THR A 123 17.112 -0.638 -2.784 1.00 73.22 C ATOM 1837 O THR A 123 16.220 -0.280 -2.017 1.00 50.41 O ATOM 1838 CB THR A 123 16.832 -0.110 -5.206 1.00 11.34 C ATOM 1839 OG1 THR A 123 16.065 1.018 -4.767 1.00 23.43 O ATOM 1840 CG2 THR A 123 16.300 -0.601 -6.543 1.00 1.51 C ATOM 0 H THR A 123 14.725 -1.337 -4.559 1.00 65.41 H new ATOM 0 HA THR A 123 17.513 -1.992 -4.401 1.00 45.23 H new ATOM 0 HB THR A 123 17.873 0.186 -5.334 1.00 11.34 H new ATOM 0 HG1 THR A 123 16.106 1.725 -5.444 1.00 23.43 H new ATOM 0 HG21 THR A 123 16.349 0.207 -7.273 1.00 1.51 H new ATOM 0 HG22 THR A 123 16.904 -1.440 -6.889 1.00 1.51 H new ATOM 0 HG23 THR A 123 15.265 -0.923 -6.427 1.00 1.51 H new ATOM 1848 N ASN A 124 18.404 -0.540 -2.488 1.00 2.14 N ATOM 1849 CA ASN A 124 18.856 0.007 -1.213 1.00 14.35 C ATOM 1850 C ASN A 124 18.255 1.388 -0.970 1.00 21.24 C ATOM 1851 O ASN A 124 17.792 2.062 -1.891 1.00 34.35 O ATOM 1852 CB ASN A 124 20.384 0.092 -1.184 1.00 43.11 C ATOM 1853 CG ASN A 124 21.024 -1.187 -0.679 1.00 33.41 C ATOM 1854 OD1 ASN A 124 20.400 -2.249 -0.678 1.00 65.11 O ATOM 1855 ND2 ASN A 124 22.275 -1.091 -0.244 1.00 53.22 N ATOM 0 H ASN A 124 19.156 -0.832 -3.113 1.00 2.14 H new ATOM 0 HA ASN A 124 18.520 -0.661 -0.420 1.00 14.35 H new ATOM 0 HB2 ASN A 124 20.752 0.308 -2.187 1.00 43.11 H new ATOM 0 HB3 ASN A 124 20.687 0.923 -0.547 1.00 43.11 H new ATOM 0 HD21 ASN A 124 22.757 -1.918 0.109 1.00 53.22 H new ATOM 0 HD22 ASN A 124 22.754 -0.191 -0.263 1.00 53.22 H new ATOM 1862 N PRO A 125 18.262 1.822 0.299 1.00 1.24 N ATOM 1863 CA PRO A 125 17.723 3.126 0.693 1.00 4.12 C ATOM 1864 C PRO A 125 18.579 4.284 0.190 1.00 22.32 C ATOM 1865 O PRO A 125 19.542 4.687 0.843 1.00 40.34 O ATOM 1866 CB PRO A 125 17.743 3.072 2.222 1.00 23.43 C ATOM 1867 CG PRO A 125 18.816 2.092 2.552 1.00 21.31 C ATOM 1868 CD PRO A 125 18.798 1.071 1.447 1.00 10.43 C ATOM 0 HA PRO A 125 16.733 3.301 0.272 1.00 4.12 H new ATOM 0 HB2 PRO A 125 17.956 4.052 2.650 1.00 23.43 H new ATOM 0 HB3 PRO A 125 16.780 2.753 2.620 1.00 23.43 H new ATOM 0 HG2 PRO A 125 19.787 2.583 2.614 1.00 21.31 H new ATOM 0 HG3 PRO A 125 18.633 1.624 3.519 1.00 21.31 H new ATOM 0 HD2 PRO A 125 19.796 0.682 1.243 1.00 10.43 H new ATOM 0 HD3 PRO A 125 18.168 0.217 1.698 1.00 10.43 H new ATOM 1876 N LYS A 126 18.222 4.815 -0.975 1.00 1.50 N ATOM 1877 CA LYS A 126 18.956 5.928 -1.566 1.00 65.42 C ATOM 1878 C LYS A 126 19.106 7.071 -0.567 1.00 33.33 C ATOM 1879 O LYS A 126 20.075 7.828 -0.619 1.00 12.21 O ATOM 1880 CB LYS A 126 18.241 6.426 -2.824 1.00 4.33 C ATOM 1881 CG LYS A 126 16.988 7.234 -2.533 1.00 21.32 C ATOM 1882 CD LYS A 126 15.861 6.350 -2.026 1.00 73.25 C ATOM 1883 CE LYS A 126 14.534 7.094 -2.013 1.00 21.43 C ATOM 1884 NZ LYS A 126 13.410 6.214 -1.589 1.00 72.12 N1+ ATOM 0 H LYS A 126 17.428 4.492 -1.529 1.00 1.50 H new ATOM 0 HA LYS A 126 19.950 5.573 -1.837 1.00 65.42 H new ATOM 0 HB2 LYS A 126 18.931 7.038 -3.405 1.00 4.33 H new ATOM 0 HB3 LYS A 126 17.975 5.570 -3.443 1.00 4.33 H new ATOM 0 HG2 LYS A 126 17.212 8.001 -1.791 1.00 21.32 H new ATOM 0 HG3 LYS A 126 16.668 7.750 -3.438 1.00 21.32 H new ATOM 0 HD2 LYS A 126 15.778 5.466 -2.658 1.00 73.25 H new ATOM 0 HD3 LYS A 126 16.094 6.002 -1.020 1.00 73.25 H new ATOM 0 HE2 LYS A 126 14.602 7.947 -1.338 1.00 21.43 H new ATOM 0 HE3 LYS A 126 14.330 7.490 -3.008 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 12.523 6.757 -1.593 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 13.328 5.413 -2.248 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 13.592 5.856 -0.630 1.00 72.12 H new ATOM 1898 N GLU A 127 18.142 7.189 0.340 1.00 63.52 N ATOM 1899 CA GLU A 127 18.170 8.242 1.350 1.00 4.22 C ATOM 1900 C GLU A 127 19.366 8.070 2.283 1.00 54.22 C ATOM 1901 O GLU A 127 20.068 7.062 2.226 1.00 33.32 O ATOM 1902 CB GLU A 127 16.871 8.235 2.161 1.00 12.12 C ATOM 1903 CG GLU A 127 16.499 6.864 2.701 1.00 23.42 C ATOM 1904 CD GLU A 127 15.660 6.943 3.962 1.00 72.31 C ATOM 1905 OE1 GLU A 127 15.187 8.051 4.293 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 15.478 5.896 4.618 1.00 54.12 O ATOM 0 H GLU A 127 17.333 6.570 0.397 1.00 63.52 H new ATOM 0 HA GLU A 127 18.266 9.199 0.838 1.00 4.22 H new ATOM 0 HB2 GLU A 127 16.969 8.930 2.995 1.00 12.12 H new ATOM 0 HB3 GLU A 127 16.059 8.602 1.534 1.00 12.12 H new ATOM 0 HG2 GLU A 127 15.950 6.313 1.937 1.00 23.42 H new ATOM 0 HG3 GLU A 127 17.408 6.300 2.909 1.00 23.42 H new TER 1913 GLU A 127