USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 719 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 77 ASN : amide:sc= 0.032 K(o=0.32,f=-1.1) USER MOD Set 1.2: A 81 LYS NZ :NH3+ 176:sc= 0.29 (180deg=0) USER MOD Set 2.1: A 70 ASN : amide:sc= -1.37 K(o=-2.1,f=-6.8!) USER MOD Set 2.2: A 73 GLN : amide:sc= -0.714 X(o=-2.1,f=-1.9) USER MOD Set 3.1: A 2 SER OG : rot -85:sc= 0.00376 USER MOD Set 3.2: A 4 ASN : amide:sc= 0.0684 K(o=0.072,f=-4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -31:sc= 0.175 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 56:sc= 1.07 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -155:sc= -0.0883 (180deg=-0.458) USER MOD Single : A 62 THR OG1 : rot 170:sc= -0.258 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0786 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.275 (180deg=-0.563) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.87 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot -120:sc= -0.83 USER MOD Single : A 84 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.900 -3.264 0.627 1.00 5.34 N ATOM 2 CA MET A 1 7.402 -4.166 -0.404 1.00 50.35 C ATOM 3 C MET A 1 5.980 -3.793 -0.812 1.00 0.13 C ATOM 4 O MET A 1 5.010 -4.338 -0.284 1.00 43.42 O ATOM 5 CB MET A 1 7.440 -5.613 0.091 1.00 43.30 C ATOM 6 CG MET A 1 8.603 -6.416 -0.468 1.00 43.15 C ATOM 7 SD MET A 1 9.581 -7.213 0.820 1.00 13.23 S ATOM 8 CE MET A 1 9.903 -8.805 0.065 1.00 2.41 C ATOM 0 H1 MET A 1 8.869 -3.537 0.889 1.00 5.34 H new ATOM 0 H2 MET A 1 7.901 -2.289 0.265 1.00 5.34 H new ATOM 0 H3 MET A 1 7.286 -3.321 1.464 1.00 5.34 H new ATOM 0 HA MET A 1 8.048 -4.072 -1.277 1.00 50.35 H new ATOM 0 HB2 MET A 1 7.498 -5.615 1.179 1.00 43.30 H new ATOM 0 HB3 MET A 1 6.506 -6.105 -0.179 1.00 43.30 H new ATOM 0 HG2 MET A 1 8.220 -7.175 -1.150 1.00 43.15 H new ATOM 0 HG3 MET A 1 9.246 -5.758 -1.052 1.00 43.15 H new ATOM 0 HE1 MET A 1 10.500 -9.415 0.743 1.00 2.41 H new ATOM 0 HE2 MET A 1 8.958 -9.309 -0.139 1.00 2.41 H new ATOM 0 HE3 MET A 1 10.447 -8.662 -0.869 1.00 2.41 H new ATOM 18 N SER A 2 5.864 -2.861 -1.753 1.00 34.44 N ATOM 19 CA SER A 2 4.560 -2.413 -2.227 1.00 73.13 C ATOM 20 C SER A 2 4.567 -2.227 -3.742 1.00 24.04 C ATOM 21 O SER A 2 5.558 -1.778 -4.317 1.00 3.03 O ATOM 22 CB SER A 2 4.167 -1.102 -1.543 1.00 63.20 C ATOM 23 OG SER A 2 3.507 -0.233 -2.446 1.00 74.25 O ATOM 0 H SER A 2 6.657 -2.402 -2.202 1.00 34.44 H new ATOM 0 HA SER A 2 3.827 -3.179 -1.975 1.00 73.13 H new ATOM 0 HB2 SER A 2 3.516 -1.312 -0.694 1.00 63.20 H new ATOM 0 HB3 SER A 2 5.058 -0.613 -1.148 1.00 63.20 H new ATOM 0 HG SER A 2 4.172 0.276 -2.955 1.00 74.25 H new ATOM 29 N GLN A 3 3.455 -2.576 -4.380 1.00 1.01 N ATOM 30 CA GLN A 3 3.334 -2.448 -5.827 1.00 75.44 C ATOM 31 C GLN A 3 2.617 -1.155 -6.202 1.00 34.34 C ATOM 32 O GLN A 3 1.481 -1.178 -6.673 1.00 73.32 O ATOM 33 CB GLN A 3 2.581 -3.648 -6.405 1.00 32.31 C ATOM 34 CG GLN A 3 3.337 -4.961 -6.275 1.00 11.31 C ATOM 35 CD GLN A 3 3.720 -5.549 -7.619 1.00 1.14 C ATOM 36 OE1 GLN A 3 4.596 -5.028 -8.310 1.00 75.13 O ATOM 37 NE2 GLN A 3 3.065 -6.641 -7.996 1.00 10.34 N ATOM 0 H GLN A 3 2.626 -2.949 -3.918 1.00 1.01 H new ATOM 0 HA GLN A 3 4.339 -2.420 -6.249 1.00 75.44 H new ATOM 0 HB2 GLN A 3 1.619 -3.740 -5.900 1.00 32.31 H new ATOM 0 HB3 GLN A 3 2.371 -3.462 -7.458 1.00 32.31 H new ATOM 0 HG2 GLN A 3 4.238 -4.800 -5.683 1.00 11.31 H new ATOM 0 HG3 GLN A 3 2.722 -5.678 -5.731 1.00 11.31 H new ATOM 0 HE21 GLN A 3 2.346 -7.039 -7.391 1.00 10.34 H new ATOM 0 HE22 GLN A 3 3.281 -7.082 -8.890 1.00 10.34 H new ATOM 46 N ASN A 4 3.288 -0.029 -5.987 1.00 44.33 N ATOM 47 CA ASN A 4 2.715 1.275 -6.301 1.00 73.24 C ATOM 48 C ASN A 4 3.553 2.000 -7.350 1.00 30.22 C ATOM 49 O ASN A 4 4.756 1.767 -7.466 1.00 74.10 O ATOM 50 CB ASN A 4 2.611 2.128 -5.036 1.00 3.14 C ATOM 51 CG ASN A 4 3.969 2.565 -4.521 1.00 1.25 C ATOM 52 OD1 ASN A 4 4.942 1.813 -4.586 1.00 14.31 O ATOM 53 ND2 ASN A 4 4.041 3.787 -4.004 1.00 73.34 N ATOM 0 H ASN A 4 4.230 0.007 -5.596 1.00 44.33 H new ATOM 0 HA ASN A 4 1.716 1.116 -6.707 1.00 73.24 H new ATOM 0 HB2 ASN A 4 2.003 3.009 -5.244 1.00 3.14 H new ATOM 0 HB3 ASN A 4 2.096 1.561 -4.260 1.00 3.14 H new ATOM 0 HD21 ASN A 4 4.928 4.136 -3.641 1.00 73.34 H new ATOM 0 HD22 ASN A 4 3.209 4.376 -3.970 1.00 73.34 H new ATOM 60 N GLU A 5 2.909 2.880 -8.110 1.00 34.21 N ATOM 61 CA GLU A 5 3.595 3.638 -9.149 1.00 4.43 C ATOM 62 C GLU A 5 2.680 4.709 -9.735 1.00 41.34 C ATOM 63 O GLU A 5 2.933 5.904 -9.588 1.00 42.53 O ATOM 64 CB GLU A 5 4.081 2.703 -10.258 1.00 54.01 C ATOM 65 CG GLU A 5 4.894 3.404 -11.333 1.00 52.21 C ATOM 66 CD GLU A 5 5.641 2.433 -12.226 1.00 61.20 C ATOM 67 OE1 GLU A 5 5.196 1.271 -12.341 1.00 4.31 O ATOM 68 OE2 GLU A 5 6.670 2.833 -12.809 1.00 51.33 O ATOM 0 H GLU A 5 1.913 3.085 -8.026 1.00 34.21 H new ATOM 0 HA GLU A 5 4.456 4.129 -8.696 1.00 4.43 H new ATOM 0 HB2 GLU A 5 4.686 1.912 -9.815 1.00 54.01 H new ATOM 0 HB3 GLU A 5 3.219 2.224 -10.721 1.00 54.01 H new ATOM 0 HG2 GLU A 5 4.230 4.016 -11.944 1.00 52.21 H new ATOM 0 HG3 GLU A 5 5.607 4.080 -10.861 1.00 52.21 H new ATOM 75 N GLU A 6 1.616 4.270 -10.401 1.00 43.51 N ATOM 76 CA GLU A 6 0.664 5.191 -11.011 1.00 45.32 C ATOM 77 C GLU A 6 -0.563 4.444 -11.525 1.00 22.10 C ATOM 78 O GLU A 6 -0.444 3.395 -12.157 1.00 30.53 O ATOM 79 CB GLU A 6 1.326 5.957 -12.159 1.00 10.53 C ATOM 80 CG GLU A 6 0.572 7.211 -12.568 1.00 13.52 C ATOM 81 CD GLU A 6 0.628 7.465 -14.062 1.00 4.03 C ATOM 82 OE1 GLU A 6 1.642 7.091 -14.688 1.00 71.33 O ATOM 83 OE2 GLU A 6 -0.340 8.038 -14.604 1.00 64.51 O ATOM 0 H GLU A 6 1.392 3.283 -10.532 1.00 43.51 H new ATOM 0 HA GLU A 6 0.343 5.900 -10.248 1.00 45.32 H new ATOM 0 HB2 GLU A 6 2.339 6.232 -11.865 1.00 10.53 H new ATOM 0 HB3 GLU A 6 1.413 5.297 -13.022 1.00 10.53 H new ATOM 0 HG2 GLU A 6 -0.469 7.122 -12.257 1.00 13.52 H new ATOM 0 HG3 GLU A 6 0.989 8.069 -12.042 1.00 13.52 H new ATOM 90 N ALA A 7 -1.741 4.993 -11.248 1.00 72.52 N ATOM 91 CA ALA A 7 -2.990 4.380 -11.683 1.00 31.40 C ATOM 92 C ALA A 7 -3.277 4.696 -13.147 1.00 4.11 C ATOM 93 O ALA A 7 -2.737 5.643 -13.719 1.00 63.04 O ATOM 94 CB ALA A 7 -4.141 4.847 -10.805 1.00 13.22 C ATOM 0 H ALA A 7 -1.857 5.861 -10.725 1.00 72.52 H new ATOM 0 HA ALA A 7 -2.888 3.299 -11.585 1.00 31.40 H new ATOM 0 HB1 ALA A 7 -5.067 4.381 -11.141 1.00 13.22 H new ATOM 0 HB2 ALA A 7 -3.947 4.564 -9.770 1.00 13.22 H new ATOM 0 HB3 ALA A 7 -4.234 5.931 -10.873 1.00 13.22 H new ATOM 100 N PRO A 8 -4.146 3.886 -13.769 1.00 62.02 N ATOM 101 CA PRO A 8 -4.523 4.060 -15.175 1.00 13.21 C ATOM 102 C PRO A 8 -5.375 5.306 -15.396 1.00 61.54 C ATOM 103 O PRO A 8 -5.234 5.993 -16.407 1.00 55.22 O ATOM 104 CB PRO A 8 -5.332 2.798 -15.484 1.00 64.32 C ATOM 105 CG PRO A 8 -5.868 2.359 -14.165 1.00 61.35 C ATOM 106 CD PRO A 8 -4.827 2.738 -13.148 1.00 74.23 C ATOM 0 HA PRO A 8 -3.652 4.193 -15.817 1.00 13.21 H new ATOM 0 HB2 PRO A 8 -6.137 3.006 -16.189 1.00 64.32 H new ATOM 0 HB3 PRO A 8 -4.706 2.027 -15.934 1.00 64.32 H new ATOM 0 HG2 PRO A 8 -6.820 2.845 -13.949 1.00 61.35 H new ATOM 0 HG3 PRO A 8 -6.050 1.284 -14.156 1.00 61.35 H new ATOM 0 HD2 PRO A 8 -5.278 3.007 -12.193 1.00 74.23 H new ATOM 0 HD3 PRO A 8 -4.136 1.917 -12.955 1.00 74.23 H new ATOM 114 N ALA A 9 -6.258 5.590 -14.445 1.00 22.04 N ATOM 115 CA ALA A 9 -7.130 6.754 -14.535 1.00 52.21 C ATOM 116 C ALA A 9 -7.888 6.771 -15.858 1.00 74.51 C ATOM 117 O ALA A 9 -8.101 7.829 -16.449 1.00 51.24 O ATOM 118 CB ALA A 9 -6.322 8.033 -14.372 1.00 12.12 C ATOM 0 H ALA A 9 -6.388 5.030 -13.603 1.00 22.04 H new ATOM 0 HA ALA A 9 -7.860 6.693 -13.728 1.00 52.21 H new ATOM 0 HB1 ALA A 9 -6.986 8.894 -14.441 1.00 12.12 H new ATOM 0 HB2 ALA A 9 -5.830 8.031 -13.399 1.00 12.12 H new ATOM 0 HB3 ALA A 9 -5.570 8.091 -15.159 1.00 12.12 H new ATOM 124 N ARG A 10 -8.293 5.591 -16.317 1.00 71.14 N ATOM 125 CA ARG A 10 -9.026 5.470 -17.572 1.00 10.11 C ATOM 126 C ARG A 10 -10.364 4.770 -17.354 1.00 71.35 C ATOM 127 O ARG A 10 -11.386 5.177 -17.906 1.00 53.22 O ATOM 128 CB ARG A 10 -8.196 4.699 -18.600 1.00 41.30 C ATOM 129 CG ARG A 10 -7.105 5.534 -19.251 1.00 22.32 C ATOM 130 CD ARG A 10 -5.937 4.670 -19.702 1.00 12.04 C ATOM 131 NE ARG A 10 -5.432 5.073 -21.011 1.00 61.02 N ATOM 132 CZ ARG A 10 -6.099 4.888 -22.145 1.00 11.40 C ATOM 133 NH1 ARG A 10 -7.292 4.311 -22.129 1.00 74.23 N ATOM 134 NH2 ARG A 10 -5.573 5.283 -23.298 1.00 21.54 N ATOM 0 H ARG A 10 -8.126 4.706 -15.839 1.00 71.14 H new ATOM 0 HA ARG A 10 -9.218 6.474 -17.950 1.00 10.11 H new ATOM 0 HB2 ARG A 10 -7.740 3.837 -18.114 1.00 41.30 H new ATOM 0 HB3 ARG A 10 -8.859 4.314 -19.375 1.00 41.30 H new ATOM 0 HG2 ARG A 10 -7.516 6.068 -20.108 1.00 22.32 H new ATOM 0 HG3 ARG A 10 -6.752 6.286 -18.546 1.00 22.32 H new ATOM 0 HD2 ARG A 10 -5.134 4.734 -18.968 1.00 12.04 H new ATOM 0 HD3 ARG A 10 -6.251 3.627 -19.740 1.00 12.04 H new ATOM 0 HE ARG A 10 -4.517 5.521 -21.058 1.00 61.02 H new ATOM 0 HH11 ARG A 10 -7.700 4.008 -21.245 1.00 74.23 H new ATOM 0 HH12 ARG A 10 -7.802 4.170 -23.001 1.00 74.23 H new ATOM 0 HH21 ARG A 10 -4.656 5.729 -23.314 1.00 21.54 H new ATOM 0 HH22 ARG A 10 -6.086 5.140 -24.168 1.00 21.54 H new ATOM 148 N SER A 11 -10.349 3.714 -16.547 1.00 72.34 N ATOM 149 CA SER A 11 -11.560 2.954 -16.260 1.00 73.24 C ATOM 150 C SER A 11 -12.365 3.615 -15.146 1.00 13.21 C ATOM 151 O SER A 11 -11.823 4.360 -14.331 1.00 24.45 O ATOM 152 CB SER A 11 -11.206 1.519 -15.866 1.00 62.44 C ATOM 153 OG SER A 11 -10.771 0.774 -16.991 1.00 20.33 O ATOM 0 H SER A 11 -9.512 3.365 -16.080 1.00 72.34 H new ATOM 0 HA SER A 11 -12.170 2.935 -17.163 1.00 73.24 H new ATOM 0 HB2 SER A 11 -10.423 1.529 -15.108 1.00 62.44 H new ATOM 0 HB3 SER A 11 -12.075 1.036 -15.420 1.00 62.44 H new ATOM 0 HG SER A 11 -10.549 -0.139 -16.713 1.00 20.33 H new ATOM 159 N GLY A 12 -13.665 3.337 -15.118 1.00 53.11 N ATOM 160 CA GLY A 12 -14.525 3.912 -14.101 1.00 13.44 C ATOM 161 C GLY A 12 -14.981 5.315 -14.452 1.00 24.05 C ATOM 162 O GLY A 12 -15.833 5.500 -15.319 1.00 71.41 O ATOM 0 H GLY A 12 -14.138 2.724 -15.782 1.00 53.11 H new ATOM 0 HA2 GLY A 12 -15.398 3.273 -13.964 1.00 13.44 H new ATOM 0 HA3 GLY A 12 -13.993 3.933 -13.150 1.00 13.44 H new ATOM 166 N GLY A 13 -14.412 6.307 -13.774 1.00 5.42 N ATOM 167 CA GLY A 13 -14.778 7.688 -14.032 1.00 31.32 C ATOM 168 C GLY A 13 -13.626 8.646 -13.802 1.00 15.11 C ATOM 169 O GLY A 13 -12.462 8.249 -13.835 1.00 23.44 O ATOM 0 H GLY A 13 -13.704 6.179 -13.051 1.00 5.42 H new ATOM 0 HA2 GLY A 13 -15.125 7.782 -15.061 1.00 31.32 H new ATOM 0 HA3 GLY A 13 -15.612 7.966 -13.388 1.00 31.32 H new ATOM 173 N LYS A 14 -13.951 9.914 -13.570 1.00 61.51 N ATOM 174 CA LYS A 14 -12.935 10.933 -13.334 1.00 75.12 C ATOM 175 C LYS A 14 -13.403 11.933 -12.282 1.00 0.40 C ATOM 176 O LYS A 14 -14.560 12.355 -12.282 1.00 63.12 O ATOM 177 CB LYS A 14 -12.605 11.664 -14.637 1.00 51.23 C ATOM 178 CG LYS A 14 -11.399 12.581 -14.531 1.00 52.42 C ATOM 179 CD LYS A 14 -11.574 13.833 -15.375 1.00 74.21 C ATOM 180 CE LYS A 14 -10.255 14.564 -15.568 1.00 43.14 C ATOM 181 NZ LYS A 14 -10.176 15.222 -16.902 1.00 5.53 N ATOM 0 H LYS A 14 -14.910 10.260 -13.540 1.00 61.51 H new ATOM 0 HA LYS A 14 -12.037 10.438 -12.965 1.00 75.12 H new ATOM 0 HB2 LYS A 14 -12.424 10.928 -15.421 1.00 51.23 H new ATOM 0 HB3 LYS A 14 -13.471 12.250 -14.944 1.00 51.23 H new ATOM 0 HG2 LYS A 14 -11.245 12.862 -13.489 1.00 52.42 H new ATOM 0 HG3 LYS A 14 -10.505 12.047 -14.852 1.00 52.42 H new ATOM 0 HD2 LYS A 14 -11.987 13.563 -16.347 1.00 74.21 H new ATOM 0 HD3 LYS A 14 -12.293 14.498 -14.897 1.00 74.21 H new ATOM 0 HE2 LYS A 14 -10.137 15.314 -14.786 1.00 43.14 H new ATOM 0 HE3 LYS A 14 -9.430 13.859 -15.461 1.00 43.14 H new ATOM 0 HZ1 LYS A 14 -9.262 15.710 -16.995 1.00 5.53 H new ATOM 0 HZ2 LYS A 14 -10.263 14.504 -17.649 1.00 5.53 H new ATOM 0 HZ3 LYS A 14 -10.948 15.913 -16.995 1.00 5.53 H new ATOM 195 N VAL A 15 -12.496 12.311 -11.387 1.00 20.05 N ATOM 196 CA VAL A 15 -12.815 13.264 -10.330 1.00 50.14 C ATOM 197 C VAL A 15 -11.575 14.036 -9.894 1.00 1.12 C ATOM 198 O VAL A 15 -10.482 13.477 -9.801 1.00 23.41 O ATOM 199 CB VAL A 15 -13.426 12.560 -9.104 1.00 62.24 C ATOM 200 CG1 VAL A 15 -12.499 11.464 -8.601 1.00 5.33 C ATOM 201 CG2 VAL A 15 -13.721 13.567 -8.004 1.00 12.52 C ATOM 0 H VAL A 15 -11.534 11.972 -11.373 1.00 20.05 H new ATOM 0 HA VAL A 15 -13.547 13.959 -10.741 1.00 50.14 H new ATOM 0 HB VAL A 15 -14.367 12.098 -9.403 1.00 62.24 H new ATOM 0 HG11 VAL A 15 -12.947 10.978 -7.735 1.00 5.33 H new ATOM 0 HG12 VAL A 15 -12.344 10.728 -9.390 1.00 5.33 H new ATOM 0 HG13 VAL A 15 -11.541 11.900 -8.317 1.00 5.33 H new ATOM 0 HG21 VAL A 15 -14.152 13.052 -7.145 1.00 12.52 H new ATOM 0 HG22 VAL A 15 -12.796 14.060 -7.704 1.00 12.52 H new ATOM 0 HG23 VAL A 15 -14.426 14.312 -8.372 1.00 12.52 H new ATOM 211 N THR A 16 -11.751 15.326 -9.626 1.00 14.22 N ATOM 212 CA THR A 16 -10.647 16.176 -9.199 1.00 51.34 C ATOM 213 C THR A 16 -10.955 16.851 -7.868 1.00 32.04 C ATOM 214 O THR A 16 -12.077 17.301 -7.633 1.00 20.32 O ATOM 215 CB THR A 16 -10.333 17.258 -10.250 1.00 12.54 C ATOM 216 OG1 THR A 16 -9.979 16.645 -11.494 1.00 54.23 O ATOM 217 CG2 THR A 16 -9.198 18.156 -9.780 1.00 30.54 C ATOM 0 H THR A 16 -12.649 15.805 -9.697 1.00 14.22 H new ATOM 0 HA THR A 16 -9.777 15.529 -9.082 1.00 51.34 H new ATOM 0 HB THR A 16 -11.225 17.869 -10.388 1.00 12.54 H new ATOM 0 HG1 THR A 16 -9.783 17.340 -12.157 1.00 54.23 H new ATOM 0 HG21 THR A 16 -8.994 18.912 -10.538 1.00 30.54 H new ATOM 0 HG22 THR A 16 -9.483 18.644 -8.848 1.00 30.54 H new ATOM 0 HG23 THR A 16 -8.303 17.556 -9.616 1.00 30.54 H new ATOM 225 N PHE A 17 -9.952 16.919 -6.998 1.00 54.12 N ATOM 226 CA PHE A 17 -10.117 17.539 -5.689 1.00 3.33 C ATOM 227 C PHE A 17 -9.197 18.748 -5.540 1.00 72.01 C ATOM 228 O PHE A 17 -8.150 18.827 -6.183 1.00 11.43 O ATOM 229 CB PHE A 17 -9.827 16.525 -4.580 1.00 73.14 C ATOM 230 CG PHE A 17 -10.664 15.281 -4.673 1.00 20.01 C ATOM 231 CD1 PHE A 17 -12.031 15.332 -4.456 1.00 55.21 C ATOM 232 CD2 PHE A 17 -10.083 14.060 -4.976 1.00 42.22 C ATOM 233 CE1 PHE A 17 -12.804 14.189 -4.541 1.00 15.52 C ATOM 234 CE2 PHE A 17 -10.851 12.914 -5.063 1.00 3.43 C ATOM 235 CZ PHE A 17 -12.213 12.979 -4.843 1.00 61.25 C ATOM 0 H PHE A 17 -9.017 16.552 -7.176 1.00 54.12 H new ATOM 0 HA PHE A 17 -11.150 17.877 -5.603 1.00 3.33 H new ATOM 0 HB2 PHE A 17 -8.773 16.248 -4.618 1.00 73.14 H new ATOM 0 HB3 PHE A 17 -9.998 16.997 -3.613 1.00 73.14 H new ATOM 0 HD1 PHE A 17 -12.499 16.276 -4.218 1.00 55.21 H new ATOM 0 HD2 PHE A 17 -9.018 14.003 -5.146 1.00 42.22 H new ATOM 0 HE1 PHE A 17 -13.869 14.243 -4.371 1.00 15.52 H new ATOM 0 HE2 PHE A 17 -10.387 11.969 -5.303 1.00 3.43 H new ATOM 0 HZ PHE A 17 -12.815 12.084 -4.907 1.00 61.25 H new ATOM 245 N ARG A 18 -9.597 19.687 -4.689 1.00 11.01 N ATOM 246 CA ARG A 18 -8.811 20.893 -4.457 1.00 21.43 C ATOM 247 C ARG A 18 -8.556 21.097 -2.966 1.00 53.02 C ATOM 248 O ARG A 18 -9.491 21.124 -2.165 1.00 21.41 O ATOM 249 CB ARG A 18 -9.528 22.114 -5.035 1.00 11.03 C ATOM 250 CG ARG A 18 -10.945 22.292 -4.513 1.00 63.22 C ATOM 251 CD ARG A 18 -11.034 23.443 -3.524 1.00 42.52 C ATOM 252 NE ARG A 18 -11.039 24.741 -4.194 1.00 45.12 N ATOM 253 CZ ARG A 18 -12.098 25.242 -4.819 1.00 74.31 C ATOM 254 NH1 ARG A 18 -13.233 24.557 -4.859 1.00 52.01 N ATOM 255 NH2 ARG A 18 -12.025 26.430 -5.405 1.00 63.24 N ATOM 0 H ARG A 18 -10.461 19.636 -4.149 1.00 11.01 H new ATOM 0 HA ARG A 18 -7.851 20.773 -4.959 1.00 21.43 H new ATOM 0 HB2 ARG A 18 -8.949 23.008 -4.803 1.00 11.03 H new ATOM 0 HB3 ARG A 18 -9.558 22.027 -6.121 1.00 11.03 H new ATOM 0 HG2 ARG A 18 -11.621 22.475 -5.348 1.00 63.22 H new ATOM 0 HG3 ARG A 18 -11.275 21.371 -4.032 1.00 63.22 H new ATOM 0 HD2 ARG A 18 -11.941 23.339 -2.928 1.00 42.52 H new ATOM 0 HD3 ARG A 18 -10.191 23.394 -2.834 1.00 42.52 H new ATOM 0 HE ARG A 18 -10.181 25.293 -4.181 1.00 45.12 H new ATOM 0 HH11 ARG A 18 -13.294 23.644 -4.409 1.00 52.01 H new ATOM 0 HH12 ARG A 18 -14.045 24.944 -5.340 1.00 52.01 H new ATOM 0 HH21 ARG A 18 -11.154 26.960 -5.376 1.00 63.24 H new ATOM 0 HH22 ARG A 18 -12.840 26.813 -5.885 1.00 63.24 H new ATOM 269 N ILE A 19 -7.286 21.240 -2.602 1.00 54.24 N ATOM 270 CA ILE A 19 -6.910 21.443 -1.209 1.00 23.41 C ATOM 271 C ILE A 19 -6.108 22.729 -1.037 1.00 72.53 C ATOM 272 O ILE A 19 -5.155 22.980 -1.775 1.00 4.44 O ATOM 273 CB ILE A 19 -6.082 20.260 -0.672 1.00 33.21 C ATOM 274 CG1 ILE A 19 -6.777 18.935 -0.994 1.00 50.23 C ATOM 275 CG2 ILE A 19 -5.868 20.401 0.828 1.00 73.33 C ATOM 276 CD1 ILE A 19 -6.029 18.090 -2.002 1.00 12.32 C ATOM 0 H ILE A 19 -6.501 21.219 -3.252 1.00 54.24 H new ATOM 0 HA ILE A 19 -7.837 21.517 -0.640 1.00 23.41 H new ATOM 0 HB ILE A 19 -5.108 20.266 -1.161 1.00 33.21 H new ATOM 0 HG12 ILE A 19 -6.899 18.365 -0.073 1.00 50.23 H new ATOM 0 HG13 ILE A 19 -7.777 19.142 -1.376 1.00 50.23 H new ATOM 0 HG21 ILE A 19 -5.281 19.558 1.193 1.00 73.33 H new ATOM 0 HG22 ILE A 19 -5.335 21.330 1.034 1.00 73.33 H new ATOM 0 HG23 ILE A 19 -6.834 20.417 1.333 1.00 73.33 H new ATOM 0 HD11 ILE A 19 -6.579 17.166 -2.182 1.00 12.32 H new ATOM 0 HD12 ILE A 19 -5.930 18.642 -2.937 1.00 12.32 H new ATOM 0 HD13 ILE A 19 -5.038 17.852 -1.614 1.00 12.32 H new ATOM 288 N ILE A 20 -6.500 23.538 -0.059 1.00 75.50 N ATOM 289 CA ILE A 20 -5.817 24.796 0.211 1.00 4.03 C ATOM 290 C ILE A 20 -4.871 24.663 1.400 1.00 2.41 C ATOM 291 O ILE A 20 -5.307 24.476 2.537 1.00 41.32 O ATOM 292 CB ILE A 20 -6.818 25.932 0.491 1.00 50.23 C ATOM 293 CG1 ILE A 20 -7.646 26.231 -0.761 1.00 1.01 C ATOM 294 CG2 ILE A 20 -6.085 27.181 0.958 1.00 34.14 C ATOM 295 CD1 ILE A 20 -8.808 25.283 -0.957 1.00 52.11 C ATOM 0 H ILE A 20 -7.287 23.344 0.560 1.00 75.50 H new ATOM 0 HA ILE A 20 -5.243 25.041 -0.682 1.00 4.03 H new ATOM 0 HB ILE A 20 -7.494 25.613 1.284 1.00 50.23 H new ATOM 0 HG12 ILE A 20 -8.026 27.251 -0.701 1.00 1.01 H new ATOM 0 HG13 ILE A 20 -6.997 26.184 -1.636 1.00 1.01 H new ATOM 0 HG21 ILE A 20 -6.806 27.975 1.152 1.00 34.14 H new ATOM 0 HG22 ILE A 20 -5.535 26.959 1.872 1.00 34.14 H new ATOM 0 HG23 ILE A 20 -5.388 27.505 0.185 1.00 34.14 H new ATOM 0 HD11 ILE A 20 -9.350 25.554 -1.863 1.00 52.11 H new ATOM 0 HD12 ILE A 20 -8.434 24.263 -1.050 1.00 52.11 H new ATOM 0 HD13 ILE A 20 -9.478 25.347 -0.100 1.00 52.11 H new ATOM 307 N LEU A 21 -3.574 24.763 1.131 1.00 42.20 N ATOM 308 CA LEU A 21 -2.564 24.656 2.179 1.00 55.41 C ATOM 309 C LEU A 21 -2.101 26.037 2.631 1.00 11.44 C ATOM 310 O LEU A 21 -1.596 26.828 1.833 1.00 30.33 O ATOM 311 CB LEU A 21 -1.369 23.842 1.682 1.00 43.33 C ATOM 312 CG LEU A 21 -0.103 23.917 2.537 1.00 53.42 C ATOM 313 CD1 LEU A 21 -0.331 23.256 3.887 1.00 73.52 C ATOM 314 CD2 LEU A 21 1.068 23.269 1.814 1.00 62.12 C ATOM 0 H LEU A 21 -3.197 24.918 0.196 1.00 42.20 H new ATOM 0 HA LEU A 21 -3.013 24.146 3.032 1.00 55.41 H new ATOM 0 HB2 LEU A 21 -1.672 22.798 1.608 1.00 43.33 H new ATOM 0 HB3 LEU A 21 -1.123 24.175 0.674 1.00 43.33 H new ATOM 0 HG LEU A 21 0.137 24.967 2.706 1.00 53.42 H new ATOM 0 HD11 LEU A 21 0.580 23.319 4.482 1.00 73.52 H new ATOM 0 HD12 LEU A 21 -1.141 23.765 4.409 1.00 73.52 H new ATOM 0 HD13 LEU A 21 -0.596 22.209 3.739 1.00 73.52 H new ATOM 0 HD21 LEU A 21 1.960 23.332 2.437 1.00 62.12 H new ATOM 0 HD22 LEU A 21 0.838 22.223 1.614 1.00 62.12 H new ATOM 0 HD23 LEU A 21 1.246 23.788 0.872 1.00 62.12 H new ATOM 326 N THR A 22 -2.274 26.322 3.918 1.00 33.05 N ATOM 327 CA THR A 22 -1.873 27.607 4.478 1.00 72.41 C ATOM 328 C THR A 22 -0.355 27.720 4.562 1.00 74.11 C ATOM 329 O THR A 22 0.191 28.820 4.647 1.00 73.22 O ATOM 330 CB THR A 22 -2.471 27.819 5.882 1.00 40.25 C ATOM 331 OG1 THR A 22 -1.992 29.049 6.437 1.00 52.33 O ATOM 332 CG2 THR A 22 -2.109 26.665 6.804 1.00 3.55 C ATOM 0 H THR A 22 -2.689 25.680 4.593 1.00 33.05 H new ATOM 0 HA THR A 22 -2.255 28.377 3.808 1.00 72.41 H new ATOM 0 HB THR A 22 -3.556 27.861 5.789 1.00 40.25 H new ATOM 0 HG1 THR A 22 -2.378 29.178 7.329 1.00 52.33 H new ATOM 0 HG21 THR A 22 -2.542 26.837 7.789 1.00 3.55 H new ATOM 0 HG22 THR A 22 -2.500 25.734 6.393 1.00 3.55 H new ATOM 0 HG23 THR A 22 -1.025 26.595 6.891 1.00 3.55 H new ATOM 340 N SER A 23 0.321 26.576 4.537 1.00 1.00 N ATOM 341 CA SER A 23 1.777 26.547 4.613 1.00 1.25 C ATOM 342 C SER A 23 2.399 26.854 3.254 1.00 34.43 C ATOM 343 O SER A 23 3.615 26.999 3.135 1.00 14.43 O ATOM 344 CB SER A 23 2.256 25.182 5.110 1.00 72.52 C ATOM 345 OG SER A 23 3.639 25.207 5.416 1.00 22.50 O ATOM 0 H SER A 23 -0.116 25.657 4.465 1.00 1.00 H new ATOM 0 HA SER A 23 2.094 27.314 5.319 1.00 1.25 H new ATOM 0 HB2 SER A 23 1.690 24.895 5.996 1.00 72.52 H new ATOM 0 HB3 SER A 23 2.062 24.426 4.349 1.00 72.52 H new ATOM 0 HG SER A 23 4.094 25.842 4.824 1.00 22.50 H new ATOM 351 N GLU A 24 1.554 26.949 2.232 1.00 11.33 N ATOM 352 CA GLU A 24 2.020 27.237 0.881 1.00 2.40 C ATOM 353 C GLU A 24 1.423 28.544 0.366 1.00 35.31 C ATOM 354 O GLU A 24 0.529 28.538 -0.481 1.00 1.51 O ATOM 355 CB GLU A 24 1.656 26.090 -0.063 1.00 61.05 C ATOM 356 CG GLU A 24 2.099 26.319 -1.499 1.00 14.42 C ATOM 357 CD GLU A 24 2.666 25.069 -2.141 1.00 71.45 C ATOM 358 OE1 GLU A 24 1.870 24.245 -2.640 1.00 11.14 O ATOM 359 OE2 GLU A 24 3.905 24.913 -2.146 1.00 72.12 O ATOM 0 H GLU A 24 0.544 26.831 2.314 1.00 11.33 H new ATOM 0 HA GLU A 24 3.105 27.341 0.913 1.00 2.40 H new ATOM 0 HB2 GLU A 24 2.109 25.170 0.306 1.00 61.05 H new ATOM 0 HB3 GLU A 24 0.576 25.944 -0.044 1.00 61.05 H new ATOM 0 HG2 GLU A 24 1.250 26.671 -2.085 1.00 14.42 H new ATOM 0 HG3 GLU A 24 2.851 27.108 -1.522 1.00 14.42 H new ATOM 366 N ARG A 25 1.922 29.661 0.884 1.00 20.15 N ATOM 367 CA ARG A 25 1.437 30.975 0.479 1.00 31.42 C ATOM 368 C ARG A 25 1.745 31.238 -0.992 1.00 31.21 C ATOM 369 O ARG A 25 1.063 32.026 -1.648 1.00 23.42 O ATOM 370 CB ARG A 25 2.069 32.065 1.347 1.00 73.05 C ATOM 371 CG ARG A 25 3.585 32.117 1.251 1.00 53.22 C ATOM 372 CD ARG A 25 4.190 32.883 2.417 1.00 65.41 C ATOM 373 NE ARG A 25 5.410 32.250 2.912 1.00 44.31 N ATOM 374 CZ ARG A 25 6.157 32.756 3.887 1.00 13.53 C ATOM 375 NH1 ARG A 25 5.809 33.896 4.469 1.00 21.24 N ATOM 376 NH2 ARG A 25 7.253 32.122 4.283 1.00 41.24 N ATOM 0 H ARG A 25 2.662 29.683 1.585 1.00 20.15 H new ATOM 0 HA ARG A 25 0.356 30.994 0.615 1.00 31.42 H new ATOM 0 HB2 ARG A 25 1.661 33.033 1.054 1.00 73.05 H new ATOM 0 HB3 ARG A 25 1.785 31.901 2.386 1.00 73.05 H new ATOM 0 HG2 ARG A 25 3.985 31.103 1.234 1.00 53.22 H new ATOM 0 HG3 ARG A 25 3.875 32.590 0.313 1.00 53.22 H new ATOM 0 HD2 ARG A 25 4.412 33.903 2.105 1.00 65.41 H new ATOM 0 HD3 ARG A 25 3.462 32.948 3.225 1.00 65.41 H new ATOM 0 HE ARG A 25 5.704 31.371 2.486 1.00 44.31 H new ATOM 0 HH11 ARG A 25 4.966 34.386 4.168 1.00 21.24 H new ATOM 0 HH12 ARG A 25 6.384 34.283 5.217 1.00 21.24 H new ATOM 0 HH21 ARG A 25 7.523 31.245 3.839 1.00 41.24 H new ATOM 0 HH22 ARG A 25 7.825 32.512 5.032 1.00 41.24 H new ATOM 390 N SER A 26 2.776 30.573 -1.503 1.00 42.44 N ATOM 391 CA SER A 26 3.177 30.739 -2.896 1.00 24.44 C ATOM 392 C SER A 26 2.030 30.385 -3.837 1.00 42.02 C ATOM 393 O SER A 26 1.886 30.978 -4.906 1.00 12.13 O ATOM 394 CB SER A 26 4.394 29.864 -3.205 1.00 41.30 C ATOM 395 OG SER A 26 5.582 30.443 -2.693 1.00 13.32 O ATOM 0 H SER A 26 3.349 29.915 -0.974 1.00 42.44 H new ATOM 0 HA SER A 26 3.441 31.785 -3.051 1.00 24.44 H new ATOM 0 HB2 SER A 26 4.253 28.873 -2.772 1.00 41.30 H new ATOM 0 HB3 SER A 26 4.486 29.731 -4.283 1.00 41.30 H new ATOM 0 HG SER A 26 6.345 29.864 -2.902 1.00 13.32 H new ATOM 401 N GLN A 27 1.218 29.415 -3.431 1.00 73.44 N ATOM 402 CA GLN A 27 0.084 28.981 -4.239 1.00 15.12 C ATOM 403 C GLN A 27 -0.769 27.969 -3.481 1.00 22.41 C ATOM 404 O GLN A 27 -0.761 26.772 -3.772 1.00 51.43 O ATOM 405 CB GLN A 27 0.571 28.372 -5.555 1.00 15.12 C ATOM 406 CG GLN A 27 -0.556 27.932 -6.475 1.00 74.12 C ATOM 407 CD GLN A 27 -0.292 26.585 -7.118 1.00 71.33 C ATOM 408 OE1 GLN A 27 -0.059 25.591 -6.430 1.00 64.43 O ATOM 409 NE2 GLN A 27 -0.328 26.545 -8.445 1.00 62.41 N ATOM 0 H GLN A 27 1.324 28.915 -2.548 1.00 73.44 H new ATOM 0 HA GLN A 27 -0.530 29.855 -4.457 1.00 15.12 H new ATOM 0 HB2 GLN A 27 1.190 29.102 -6.076 1.00 15.12 H new ATOM 0 HB3 GLN A 27 1.206 27.514 -5.336 1.00 15.12 H new ATOM 0 HG2 GLN A 27 -1.485 27.884 -5.907 1.00 74.12 H new ATOM 0 HG3 GLN A 27 -0.697 28.681 -7.254 1.00 74.12 H new ATOM 0 HE21 GLN A 27 -0.525 27.394 -8.976 1.00 62.41 H new ATOM 0 HE22 GLN A 27 -0.159 25.666 -8.934 1.00 62.41 H new ATOM 418 N PRO A 28 -1.522 28.457 -2.484 1.00 61.41 N ATOM 419 CA PRO A 28 -2.394 27.611 -1.664 1.00 30.23 C ATOM 420 C PRO A 28 -3.594 27.086 -2.445 1.00 0.13 C ATOM 421 O PRO A 28 -4.711 27.580 -2.292 1.00 12.50 O ATOM 422 CB PRO A 28 -2.853 28.552 -0.547 1.00 42.12 C ATOM 423 CG PRO A 28 -2.748 29.917 -1.135 1.00 75.25 C ATOM 424 CD PRO A 28 -1.580 29.872 -2.081 1.00 74.24 C ATOM 0 HA PRO A 28 -1.877 26.721 -1.305 1.00 30.23 H new ATOM 0 HB2 PRO A 28 -3.875 28.331 -0.238 1.00 42.12 H new ATOM 0 HB3 PRO A 28 -2.224 28.453 0.338 1.00 42.12 H new ATOM 0 HG2 PRO A 28 -3.665 30.188 -1.659 1.00 75.25 H new ATOM 0 HG3 PRO A 28 -2.592 30.666 -0.358 1.00 75.25 H new ATOM 0 HD2 PRO A 28 -1.732 30.528 -2.938 1.00 74.24 H new ATOM 0 HD3 PRO A 28 -0.657 30.190 -1.596 1.00 74.24 H new ATOM 432 N PHE A 29 -3.356 26.081 -3.281 1.00 51.55 N ATOM 433 CA PHE A 29 -4.418 25.490 -4.087 1.00 61.30 C ATOM 434 C PHE A 29 -3.887 24.323 -4.915 1.00 43.41 C ATOM 435 O PHE A 29 -3.594 24.473 -6.102 1.00 34.14 O ATOM 436 CB PHE A 29 -5.036 26.544 -5.008 1.00 31.21 C ATOM 437 CG PHE A 29 -6.058 25.986 -5.957 1.00 21.32 C ATOM 438 CD1 PHE A 29 -7.270 25.507 -5.487 1.00 73.12 C ATOM 439 CD2 PHE A 29 -5.806 25.939 -7.319 1.00 3.45 C ATOM 440 CE1 PHE A 29 -8.213 24.993 -6.358 1.00 21.02 C ATOM 441 CE2 PHE A 29 -6.745 25.427 -8.194 1.00 4.12 C ATOM 442 CZ PHE A 29 -7.949 24.952 -7.713 1.00 11.22 C ATOM 0 H PHE A 29 -2.438 25.659 -3.418 1.00 51.55 H new ATOM 0 HA PHE A 29 -5.186 25.114 -3.411 1.00 61.30 H new ATOM 0 HB2 PHE A 29 -5.502 27.319 -4.399 1.00 31.21 H new ATOM 0 HB3 PHE A 29 -4.243 27.024 -5.582 1.00 31.21 H new ATOM 0 HD1 PHE A 29 -7.481 25.535 -4.428 1.00 73.12 H new ATOM 0 HD2 PHE A 29 -4.865 26.307 -7.701 1.00 3.45 H new ATOM 0 HE1 PHE A 29 -9.155 24.624 -5.979 1.00 21.02 H new ATOM 0 HE2 PHE A 29 -6.537 25.398 -9.253 1.00 4.12 H new ATOM 0 HZ PHE A 29 -8.683 24.549 -8.395 1.00 11.22 H new ATOM 452 N ARG A 30 -3.764 23.162 -4.280 1.00 41.32 N ATOM 453 CA ARG A 30 -3.266 21.971 -4.957 1.00 33.54 C ATOM 454 C ARG A 30 -4.419 21.135 -5.504 1.00 75.24 C ATOM 455 O ARG A 30 -5.303 20.712 -4.758 1.00 41.04 O ATOM 456 CB ARG A 30 -2.423 21.129 -3.997 1.00 62.55 C ATOM 457 CG ARG A 30 -1.811 19.897 -4.645 1.00 42.22 C ATOM 458 CD ARG A 30 -0.965 20.266 -5.854 1.00 70.11 C ATOM 459 NE ARG A 30 0.162 21.121 -5.493 1.00 42.41 N ATOM 460 CZ ARG A 30 1.051 21.575 -6.370 1.00 54.30 C ATOM 461 NH1 ARG A 30 0.943 21.257 -7.653 1.00 1.43 N ATOM 462 NH2 ARG A 30 2.049 22.350 -5.965 1.00 21.55 N ATOM 0 H ARG A 30 -4.002 23.021 -3.298 1.00 41.32 H new ATOM 0 HA ARG A 30 -2.643 22.291 -5.792 1.00 33.54 H new ATOM 0 HB2 ARG A 30 -1.625 21.749 -3.588 1.00 62.55 H new ATOM 0 HB3 ARG A 30 -3.045 20.817 -3.158 1.00 62.55 H new ATOM 0 HG2 ARG A 30 -1.196 19.369 -3.916 1.00 42.22 H new ATOM 0 HG3 ARG A 30 -2.603 19.213 -4.949 1.00 42.22 H new ATOM 0 HD2 ARG A 30 -0.593 19.357 -6.327 1.00 70.11 H new ATOM 0 HD3 ARG A 30 -1.587 20.777 -6.589 1.00 70.11 H new ATOM 0 HE ARG A 30 0.273 21.384 -4.514 1.00 42.41 H new ATOM 0 HH11 ARG A 30 0.176 20.663 -7.968 1.00 1.43 H new ATOM 0 HH12 ARG A 30 1.627 21.607 -8.324 1.00 1.43 H new ATOM 0 HH21 ARG A 30 2.134 22.598 -4.979 1.00 21.55 H new ATOM 0 HH22 ARG A 30 2.731 22.698 -6.639 1.00 21.55 H new ATOM 476 N VAL A 31 -4.405 20.901 -6.813 1.00 22.12 N ATOM 477 CA VAL A 31 -5.448 20.116 -7.461 1.00 34.41 C ATOM 478 C VAL A 31 -4.942 18.725 -7.827 1.00 34.11 C ATOM 479 O VAL A 31 -3.873 18.579 -8.420 1.00 32.40 O ATOM 480 CB VAL A 31 -5.967 20.812 -8.733 1.00 10.42 C ATOM 481 CG1 VAL A 31 -6.771 22.052 -8.372 1.00 55.05 C ATOM 482 CG2 VAL A 31 -4.810 21.167 -9.655 1.00 32.11 C ATOM 0 H VAL A 31 -3.682 21.244 -7.445 1.00 22.12 H new ATOM 0 HA VAL A 31 -6.266 20.026 -6.746 1.00 34.41 H new ATOM 0 HB VAL A 31 -6.625 20.122 -9.262 1.00 10.42 H new ATOM 0 HG11 VAL A 31 -7.130 22.531 -9.283 1.00 55.05 H new ATOM 0 HG12 VAL A 31 -7.622 21.767 -7.753 1.00 55.05 H new ATOM 0 HG13 VAL A 31 -6.139 22.748 -7.821 1.00 55.05 H new ATOM 0 HG21 VAL A 31 -5.195 21.658 -10.549 1.00 32.11 H new ATOM 0 HG22 VAL A 31 -4.126 21.839 -9.138 1.00 32.11 H new ATOM 0 HG23 VAL A 31 -4.280 20.258 -9.940 1.00 32.11 H new ATOM 492 N ILE A 32 -5.718 17.706 -7.470 1.00 44.40 N ATOM 493 CA ILE A 32 -5.348 16.327 -7.763 1.00 15.05 C ATOM 494 C ILE A 32 -6.380 15.662 -8.668 1.00 0.14 C ATOM 495 O ILE A 32 -7.580 15.705 -8.395 1.00 44.32 O ATOM 496 CB ILE A 32 -5.203 15.498 -6.473 1.00 61.40 C ATOM 497 CG1 ILE A 32 -6.412 15.716 -5.561 1.00 71.32 C ATOM 498 CG2 ILE A 32 -3.915 15.863 -5.751 1.00 0.45 C ATOM 499 CD1 ILE A 32 -6.416 14.824 -4.339 1.00 51.22 C ATOM 0 H ILE A 32 -6.606 17.810 -6.978 1.00 44.40 H new ATOM 0 HA ILE A 32 -4.386 16.359 -8.275 1.00 15.05 H new ATOM 0 HB ILE A 32 -5.160 14.442 -6.740 1.00 61.40 H new ATOM 0 HG12 ILE A 32 -6.432 16.758 -5.241 1.00 71.32 H new ATOM 0 HG13 ILE A 32 -7.324 15.541 -6.132 1.00 71.32 H new ATOM 0 HG21 ILE A 32 -3.827 15.269 -4.841 1.00 0.45 H new ATOM 0 HG22 ILE A 32 -3.064 15.660 -6.401 1.00 0.45 H new ATOM 0 HG23 ILE A 32 -3.930 16.922 -5.493 1.00 0.45 H new ATOM 0 HD11 ILE A 32 -7.301 15.033 -3.739 1.00 51.22 H new ATOM 0 HD12 ILE A 32 -6.428 13.780 -4.651 1.00 51.22 H new ATOM 0 HD13 ILE A 32 -5.522 15.016 -3.746 1.00 51.22 H new ATOM 511 N SER A 33 -5.904 15.046 -9.745 1.00 32.42 N ATOM 512 CA SER A 33 -6.785 14.372 -10.692 1.00 12.41 C ATOM 513 C SER A 33 -6.694 12.857 -10.536 1.00 41.45 C ATOM 514 O SER A 33 -5.621 12.271 -10.684 1.00 12.11 O ATOM 515 CB SER A 33 -6.429 14.772 -12.125 1.00 63.21 C ATOM 516 OG SER A 33 -7.273 14.123 -13.060 1.00 50.23 O ATOM 0 H SER A 33 -4.913 15.000 -9.984 1.00 32.42 H new ATOM 0 HA SER A 33 -7.809 14.680 -10.480 1.00 12.41 H new ATOM 0 HB2 SER A 33 -6.519 15.852 -12.237 1.00 63.21 H new ATOM 0 HB3 SER A 33 -5.389 14.516 -12.330 1.00 63.21 H new ATOM 0 HG SER A 33 -7.026 14.397 -13.968 1.00 50.23 H new ATOM 522 N ILE A 34 -7.827 12.230 -10.238 1.00 3.42 N ATOM 523 CA ILE A 34 -7.876 10.784 -10.063 1.00 45.13 C ATOM 524 C ILE A 34 -9.244 10.230 -10.446 1.00 2.21 C ATOM 525 O ILE A 34 -10.254 10.926 -10.354 1.00 14.23 O ATOM 526 CB ILE A 34 -7.559 10.381 -8.611 1.00 0.31 C ATOM 527 CG1 ILE A 34 -8.587 10.989 -7.654 1.00 73.24 C ATOM 528 CG2 ILE A 34 -6.152 10.821 -8.234 1.00 12.22 C ATOM 529 CD1 ILE A 34 -8.405 10.556 -6.217 1.00 5.15 C ATOM 0 H ILE A 34 -8.723 12.701 -10.113 1.00 3.42 H new ATOM 0 HA ILE A 34 -7.118 10.361 -10.722 1.00 45.13 H new ATOM 0 HB ILE A 34 -7.613 9.295 -8.531 1.00 0.31 H new ATOM 0 HG12 ILE A 34 -8.523 12.076 -7.708 1.00 73.24 H new ATOM 0 HG13 ILE A 34 -9.588 10.711 -7.985 1.00 73.24 H new ATOM 0 HG21 ILE A 34 -5.943 10.529 -7.205 1.00 12.22 H new ATOM 0 HG22 ILE A 34 -5.432 10.346 -8.900 1.00 12.22 H new ATOM 0 HG23 ILE A 34 -6.072 11.904 -8.327 1.00 12.22 H new ATOM 0 HD11 ILE A 34 -9.168 11.025 -5.596 1.00 5.15 H new ATOM 0 HD12 ILE A 34 -8.498 9.472 -6.149 1.00 5.15 H new ATOM 0 HD13 ILE A 34 -7.417 10.858 -5.868 1.00 5.15 H new ATOM 541 N ALA A 35 -9.268 8.972 -10.874 1.00 51.32 N ATOM 542 CA ALA A 35 -10.513 8.323 -11.267 1.00 44.01 C ATOM 543 C ALA A 35 -11.454 8.175 -10.077 1.00 11.03 C ATOM 544 O ALA A 35 -11.011 8.020 -8.939 1.00 41.23 O ATOM 545 CB ALA A 35 -10.226 6.964 -11.888 1.00 24.23 C ATOM 0 H ALA A 35 -8.440 8.382 -10.957 1.00 51.32 H new ATOM 0 HA ALA A 35 -11.004 8.953 -12.009 1.00 44.01 H new ATOM 0 HB1 ALA A 35 -11.164 6.490 -12.177 1.00 24.23 H new ATOM 0 HB2 ALA A 35 -9.598 7.092 -12.770 1.00 24.23 H new ATOM 0 HB3 ALA A 35 -9.710 6.334 -11.163 1.00 24.23 H new ATOM 551 N GLU A 36 -12.755 8.224 -10.347 1.00 42.41 N ATOM 552 CA GLU A 36 -13.758 8.097 -9.297 1.00 11.24 C ATOM 553 C GLU A 36 -13.643 6.747 -8.595 1.00 74.34 C ATOM 554 O GLU A 36 -14.076 6.590 -7.454 1.00 55.14 O ATOM 555 CB GLU A 36 -15.163 8.264 -9.879 1.00 60.15 C ATOM 556 CG GLU A 36 -15.897 9.488 -9.358 1.00 31.33 C ATOM 557 CD GLU A 36 -17.403 9.360 -9.478 1.00 73.15 C ATOM 558 OE1 GLU A 36 -18.110 9.767 -8.533 1.00 12.21 O ATOM 559 OE2 GLU A 36 -17.875 8.853 -10.518 1.00 21.15 O ATOM 0 H GLU A 36 -13.138 8.351 -11.284 1.00 42.41 H new ATOM 0 HA GLU A 36 -13.581 8.884 -8.564 1.00 11.24 H new ATOM 0 HB2 GLU A 36 -15.092 8.328 -10.965 1.00 60.15 H new ATOM 0 HB3 GLU A 36 -15.750 7.374 -9.650 1.00 60.15 H new ATOM 0 HG2 GLU A 36 -15.632 9.649 -8.313 1.00 31.33 H new ATOM 0 HG3 GLU A 36 -15.566 10.368 -9.910 1.00 31.33 H new ATOM 566 N GLU A 37 -13.057 5.775 -9.288 1.00 34.12 N ATOM 567 CA GLU A 37 -12.887 4.438 -8.732 1.00 73.50 C ATOM 568 C GLU A 37 -11.408 4.104 -8.560 1.00 72.25 C ATOM 569 O GLU A 37 -11.049 2.969 -8.249 1.00 72.54 O ATOM 570 CB GLU A 37 -13.555 3.397 -9.634 1.00 42.42 C ATOM 571 CG GLU A 37 -14.437 2.416 -8.882 1.00 32.42 C ATOM 572 CD GLU A 37 -14.070 0.971 -9.158 1.00 63.31 C ATOM 573 OE1 GLU A 37 -14.783 0.319 -9.949 1.00 33.51 O ATOM 574 OE2 GLU A 37 -13.069 0.492 -8.584 1.00 54.01 O ATOM 0 H GLU A 37 -12.693 5.889 -10.234 1.00 34.12 H new ATOM 0 HA GLU A 37 -13.363 4.417 -7.752 1.00 73.50 H new ATOM 0 HB2 GLU A 37 -14.156 3.911 -10.384 1.00 42.42 H new ATOM 0 HB3 GLU A 37 -12.783 2.843 -10.168 1.00 42.42 H new ATOM 0 HG2 GLU A 37 -14.358 2.609 -7.812 1.00 32.42 H new ATOM 0 HG3 GLU A 37 -15.478 2.582 -9.160 1.00 32.42 H new ATOM 581 N ALA A 38 -10.555 5.102 -8.766 1.00 62.54 N ATOM 582 CA ALA A 38 -9.115 4.915 -8.633 1.00 52.25 C ATOM 583 C ALA A 38 -8.676 5.054 -7.180 1.00 4.21 C ATOM 584 O ALA A 38 -9.343 5.688 -6.362 1.00 41.33 O ATOM 585 CB ALA A 38 -8.371 5.912 -9.510 1.00 21.04 C ATOM 0 H ALA A 38 -10.836 6.048 -9.025 1.00 62.54 H new ATOM 0 HA ALA A 38 -8.872 3.905 -8.963 1.00 52.25 H new ATOM 0 HB1 ALA A 38 -7.297 5.762 -9.401 1.00 21.04 H new ATOM 0 HB2 ALA A 38 -8.655 5.763 -10.552 1.00 21.04 H new ATOM 0 HB3 ALA A 38 -8.628 6.927 -9.206 1.00 21.04 H new ATOM 591 N PRO A 39 -7.526 4.447 -6.848 1.00 14.41 N ATOM 592 CA PRO A 39 -6.972 4.489 -5.491 1.00 53.33 C ATOM 593 C PRO A 39 -6.462 5.876 -5.116 1.00 53.51 C ATOM 594 O PRO A 39 -6.145 6.689 -5.986 1.00 21.21 O ATOM 595 CB PRO A 39 -5.813 3.491 -5.551 1.00 12.43 C ATOM 596 CG PRO A 39 -5.415 3.458 -6.986 1.00 32.01 C ATOM 597 CD PRO A 39 -6.679 3.674 -7.771 1.00 51.23 C ATOM 0 HA PRO A 39 -7.721 4.249 -4.737 1.00 53.33 H new ATOM 0 HB2 PRO A 39 -4.984 3.808 -4.918 1.00 12.43 H new ATOM 0 HB3 PRO A 39 -6.121 2.505 -5.203 1.00 12.43 H new ATOM 0 HG2 PRO A 39 -4.682 4.234 -7.206 1.00 32.01 H new ATOM 0 HG3 PRO A 39 -4.955 2.503 -7.242 1.00 32.01 H new ATOM 0 HD2 PRO A 39 -6.490 4.220 -8.695 1.00 51.23 H new ATOM 0 HD3 PRO A 39 -7.146 2.729 -8.049 1.00 51.23 H new ATOM 605 N LEU A 40 -6.385 6.142 -3.817 1.00 34.23 N ATOM 606 CA LEU A 40 -5.913 7.432 -3.326 1.00 21.21 C ATOM 607 C LEU A 40 -4.440 7.637 -3.665 1.00 21.13 C ATOM 608 O LEU A 40 -3.953 8.767 -3.710 1.00 0.21 O ATOM 609 CB LEU A 40 -6.119 7.531 -1.813 1.00 64.43 C ATOM 610 CG LEU A 40 -5.064 6.842 -0.946 1.00 71.21 C ATOM 611 CD1 LEU A 40 -4.185 7.873 -0.256 1.00 24.43 C ATOM 612 CD2 LEU A 40 -5.727 5.932 0.078 1.00 51.12 C ATOM 0 H LEU A 40 -6.643 5.481 -3.084 1.00 34.23 H new ATOM 0 HA LEU A 40 -6.492 8.214 -3.817 1.00 21.21 H new ATOM 0 HB2 LEU A 40 -6.153 8.586 -1.539 1.00 64.43 H new ATOM 0 HB3 LEU A 40 -7.093 7.107 -1.570 1.00 64.43 H new ATOM 0 HG LEU A 40 -4.433 6.230 -1.591 1.00 71.21 H new ATOM 0 HD11 LEU A 40 -3.440 7.365 0.356 1.00 24.43 H new ATOM 0 HD12 LEU A 40 -3.682 8.483 -1.006 1.00 24.43 H new ATOM 0 HD13 LEU A 40 -4.801 8.511 0.377 1.00 24.43 H new ATOM 0 HD21 LEU A 40 -4.961 5.450 0.686 1.00 51.12 H new ATOM 0 HD22 LEU A 40 -6.382 6.522 0.719 1.00 51.12 H new ATOM 0 HD23 LEU A 40 -6.313 5.171 -0.437 1.00 51.12 H new ATOM 624 N THR A 41 -3.734 6.536 -3.905 1.00 11.04 N ATOM 625 CA THR A 41 -2.317 6.595 -4.241 1.00 32.43 C ATOM 626 C THR A 41 -2.064 7.565 -5.389 1.00 10.13 C ATOM 627 O THR A 41 -1.028 8.228 -5.436 1.00 54.14 O ATOM 628 CB THR A 41 -1.774 5.206 -4.628 1.00 2.32 C ATOM 629 OG1 THR A 41 -2.057 4.262 -3.589 1.00 1.30 O ATOM 630 CG2 THR A 41 -0.274 5.262 -4.874 1.00 63.25 C ATOM 0 H THR A 41 -4.121 5.593 -3.873 1.00 11.04 H new ATOM 0 HA THR A 41 -1.795 6.946 -3.351 1.00 32.43 H new ATOM 0 HB THR A 41 -2.266 4.891 -5.548 1.00 2.32 H new ATOM 0 HG1 THR A 41 -1.710 3.382 -3.844 1.00 1.30 H new ATOM 0 HG21 THR A 41 0.087 4.270 -5.146 1.00 63.25 H new ATOM 0 HG22 THR A 41 -0.064 5.960 -5.685 1.00 63.25 H new ATOM 0 HG23 THR A 41 0.231 5.596 -3.968 1.00 63.25 H new ATOM 638 N ALA A 42 -3.017 7.644 -6.312 1.00 21.22 N ATOM 639 CA ALA A 42 -2.898 8.536 -7.458 1.00 63.24 C ATOM 640 C ALA A 42 -2.762 9.988 -7.013 1.00 32.24 C ATOM 641 O ALA A 42 -1.929 10.731 -7.530 1.00 64.42 O ATOM 642 CB ALA A 42 -4.098 8.374 -8.380 1.00 1.44 C ATOM 0 H ALA A 42 -3.880 7.101 -6.288 1.00 21.22 H new ATOM 0 HA ALA A 42 -1.995 8.266 -8.005 1.00 63.24 H new ATOM 0 HB1 ALA A 42 -3.996 9.046 -9.232 1.00 1.44 H new ATOM 0 HB2 ALA A 42 -4.148 7.344 -8.734 1.00 1.44 H new ATOM 0 HB3 ALA A 42 -5.011 8.615 -7.835 1.00 1.44 H new ATOM 648 N ALA A 43 -3.587 10.386 -6.050 1.00 75.10 N ATOM 649 CA ALA A 43 -3.558 11.749 -5.534 1.00 73.20 C ATOM 650 C ALA A 43 -2.364 11.960 -4.609 1.00 53.44 C ATOM 651 O ALA A 43 -1.857 13.075 -4.478 1.00 53.34 O ATOM 652 CB ALA A 43 -4.856 12.065 -4.805 1.00 23.14 C ATOM 0 H ALA A 43 -4.284 9.784 -5.611 1.00 75.10 H new ATOM 0 HA ALA A 43 -3.454 12.429 -6.379 1.00 73.20 H new ATOM 0 HB1 ALA A 43 -4.821 13.086 -4.425 1.00 23.14 H new ATOM 0 HB2 ALA A 43 -5.694 11.963 -5.494 1.00 23.14 H new ATOM 0 HB3 ALA A 43 -4.984 11.372 -3.973 1.00 23.14 H new ATOM 658 N LEU A 44 -1.920 10.885 -3.970 1.00 23.55 N ATOM 659 CA LEU A 44 -0.785 10.952 -3.056 1.00 3.44 C ATOM 660 C LEU A 44 0.400 11.656 -3.710 1.00 70.10 C ATOM 661 O LEU A 44 1.201 12.302 -3.035 1.00 0.43 O ATOM 662 CB LEU A 44 -0.376 9.546 -2.613 1.00 13.31 C ATOM 663 CG LEU A 44 0.524 9.466 -1.380 1.00 31.15 C ATOM 664 CD1 LEU A 44 -0.296 9.144 -0.140 1.00 13.20 C ATOM 665 CD2 LEU A 44 1.616 8.426 -1.583 1.00 41.13 C ATOM 0 H LEU A 44 -2.328 9.955 -4.067 1.00 23.55 H new ATOM 0 HA LEU A 44 -1.089 11.527 -2.181 1.00 3.44 H new ATOM 0 HB2 LEU A 44 -1.281 8.971 -2.415 1.00 13.31 H new ATOM 0 HB3 LEU A 44 0.135 9.059 -3.444 1.00 13.31 H new ATOM 0 HG LEU A 44 0.997 10.438 -1.236 1.00 31.15 H new ATOM 0 HD11 LEU A 44 0.362 9.091 0.728 1.00 13.20 H new ATOM 0 HD12 LEU A 44 -1.041 9.924 0.016 1.00 13.20 H new ATOM 0 HD13 LEU A 44 -0.797 8.185 -0.274 1.00 13.20 H new ATOM 0 HD21 LEU A 44 2.247 8.383 -0.695 1.00 41.13 H new ATOM 0 HD22 LEU A 44 1.162 7.450 -1.753 1.00 41.13 H new ATOM 0 HD23 LEU A 44 2.223 8.699 -2.446 1.00 41.13 H new ATOM 677 N ARG A 45 0.503 11.527 -5.029 1.00 3.12 N ATOM 678 CA ARG A 45 1.589 12.151 -5.775 1.00 4.44 C ATOM 679 C ARG A 45 1.707 13.633 -5.427 1.00 34.50 C ATOM 680 O ARG A 45 2.759 14.097 -4.989 1.00 25.30 O ATOM 681 CB ARG A 45 1.365 11.986 -7.279 1.00 34.23 C ATOM 682 CG ARG A 45 2.553 12.416 -8.123 1.00 40.01 C ATOM 683 CD ARG A 45 3.063 11.275 -8.989 1.00 25.11 C ATOM 684 NE ARG A 45 3.394 10.093 -8.198 1.00 33.25 N ATOM 685 CZ ARG A 45 4.044 9.041 -8.683 1.00 52.25 C ATOM 686 NH1 ARG A 45 4.431 9.025 -9.951 1.00 45.13 N ATOM 687 NH2 ARG A 45 4.308 8.003 -7.901 1.00 34.15 N ATOM 0 H ARG A 45 -0.152 10.996 -5.603 1.00 3.12 H new ATOM 0 HA ARG A 45 2.519 11.655 -5.497 1.00 4.44 H new ATOM 0 HB2 ARG A 45 1.139 10.941 -7.491 1.00 34.23 H new ATOM 0 HB3 ARG A 45 0.491 12.568 -7.574 1.00 34.23 H new ATOM 0 HG2 ARG A 45 2.266 13.255 -8.757 1.00 40.01 H new ATOM 0 HG3 ARG A 45 3.354 12.767 -7.473 1.00 40.01 H new ATOM 0 HD2 ARG A 45 2.306 11.015 -9.729 1.00 25.11 H new ATOM 0 HD3 ARG A 45 3.946 11.603 -9.538 1.00 25.11 H new ATOM 0 HE ARG A 45 3.110 10.074 -7.218 1.00 33.25 H new ATOM 0 HH11 ARG A 45 4.230 9.821 -10.556 1.00 45.13 H new ATOM 0 HH12 ARG A 45 4.930 8.216 -10.322 1.00 45.13 H new ATOM 0 HH21 ARG A 45 4.012 8.011 -6.925 1.00 34.15 H new ATOM 0 HH22 ARG A 45 4.807 7.196 -8.276 1.00 34.15 H new ATOM 701 N PHE A 46 0.619 14.370 -5.626 1.00 32.52 N ATOM 702 CA PHE A 46 0.600 15.798 -5.335 1.00 12.40 C ATOM 703 C PHE A 46 0.244 16.051 -3.873 1.00 13.11 C ATOM 704 O PHE A 46 0.582 17.093 -3.312 1.00 21.33 O ATOM 705 CB PHE A 46 -0.401 16.513 -6.246 1.00 63.41 C ATOM 706 CG PHE A 46 0.183 16.931 -7.565 1.00 52.23 C ATOM 707 CD1 PHE A 46 -0.307 16.409 -8.752 1.00 15.55 C ATOM 708 CD2 PHE A 46 1.222 17.846 -7.619 1.00 40.10 C ATOM 709 CE1 PHE A 46 0.227 16.793 -9.967 1.00 71.12 C ATOM 710 CE2 PHE A 46 1.760 18.234 -8.832 1.00 20.53 C ATOM 711 CZ PHE A 46 1.263 17.705 -10.007 1.00 52.41 C ATOM 0 H PHE A 46 -0.261 14.001 -5.988 1.00 32.52 H new ATOM 0 HA PHE A 46 1.598 16.194 -5.522 1.00 12.40 H new ATOM 0 HB2 PHE A 46 -1.251 15.855 -6.426 1.00 63.41 H new ATOM 0 HB3 PHE A 46 -0.784 17.394 -5.731 1.00 63.41 H new ATOM 0 HD1 PHE A 46 -1.116 15.694 -8.727 1.00 15.55 H new ATOM 0 HD2 PHE A 46 1.616 18.261 -6.703 1.00 40.10 H new ATOM 0 HE1 PHE A 46 -0.166 16.380 -10.885 1.00 71.12 H new ATOM 0 HE2 PHE A 46 2.568 18.950 -8.861 1.00 20.53 H new ATOM 0 HZ PHE A 46 1.684 18.004 -10.956 1.00 52.41 H new ATOM 721 N ALA A 47 -0.442 15.090 -3.263 1.00 11.25 N ATOM 722 CA ALA A 47 -0.843 15.207 -1.866 1.00 73.01 C ATOM 723 C ALA A 47 0.369 15.399 -0.961 1.00 32.51 C ATOM 724 O ALA A 47 0.285 16.060 0.073 1.00 14.41 O ATOM 725 CB ALA A 47 -1.634 13.979 -1.440 1.00 11.13 C ATOM 0 H ALA A 47 -0.732 14.222 -3.714 1.00 11.25 H new ATOM 0 HA ALA A 47 -1.479 16.087 -1.768 1.00 73.01 H new ATOM 0 HB1 ALA A 47 -1.927 14.079 -0.395 1.00 11.13 H new ATOM 0 HB2 ALA A 47 -2.526 13.888 -2.060 1.00 11.13 H new ATOM 0 HB3 ALA A 47 -1.016 13.089 -1.560 1.00 11.13 H new ATOM 731 N ALA A 48 1.495 14.814 -1.356 1.00 41.44 N ATOM 732 CA ALA A 48 2.725 14.922 -0.581 1.00 53.21 C ATOM 733 C ALA A 48 3.245 16.356 -0.573 1.00 72.42 C ATOM 734 O ALA A 48 3.921 16.775 0.366 1.00 74.41 O ATOM 735 CB ALA A 48 3.782 13.978 -1.134 1.00 51.12 C ATOM 0 H ALA A 48 1.581 14.260 -2.208 1.00 41.44 H new ATOM 0 HA ALA A 48 2.503 14.638 0.448 1.00 53.21 H new ATOM 0 HB1 ALA A 48 4.695 14.069 -0.546 1.00 51.12 H new ATOM 0 HB2 ALA A 48 3.417 12.952 -1.081 1.00 51.12 H new ATOM 0 HB3 ALA A 48 3.992 14.235 -2.172 1.00 51.12 H new ATOM 741 N GLU A 49 2.926 17.102 -1.626 1.00 14.00 N ATOM 742 CA GLU A 49 3.363 18.488 -1.739 1.00 50.44 C ATOM 743 C GLU A 49 2.436 19.417 -0.960 1.00 23.23 C ATOM 744 O GLU A 49 2.892 20.321 -0.261 1.00 23.03 O ATOM 745 CB GLU A 49 3.410 18.913 -3.209 1.00 10.03 C ATOM 746 CG GLU A 49 3.864 17.808 -4.147 1.00 75.35 C ATOM 747 CD GLU A 49 3.999 18.280 -5.582 1.00 62.21 C ATOM 748 OE1 GLU A 49 4.168 19.500 -5.791 1.00 64.50 O ATOM 749 OE2 GLU A 49 3.936 17.431 -6.495 1.00 61.43 O ATOM 0 H GLU A 49 2.367 16.770 -2.412 1.00 14.00 H new ATOM 0 HA GLU A 49 4.364 18.562 -1.314 1.00 50.44 H new ATOM 0 HB2 GLU A 49 2.419 19.252 -3.513 1.00 10.03 H new ATOM 0 HB3 GLU A 49 4.083 19.764 -3.311 1.00 10.03 H new ATOM 0 HG2 GLU A 49 4.822 17.417 -3.805 1.00 75.35 H new ATOM 0 HG3 GLU A 49 3.151 16.985 -4.105 1.00 75.35 H new ATOM 756 N GLU A 50 1.133 19.186 -1.087 1.00 23.25 N ATOM 757 CA GLU A 50 0.143 20.002 -0.395 1.00 54.40 C ATOM 758 C GLU A 50 0.246 19.819 1.116 1.00 10.44 C ATOM 759 O GLU A 50 -0.203 20.668 1.888 1.00 61.52 O ATOM 760 CB GLU A 50 -1.267 19.643 -0.868 1.00 74.41 C ATOM 761 CG GLU A 50 -1.866 18.448 -0.144 1.00 50.32 C ATOM 762 CD GLU A 50 -2.821 18.855 0.961 1.00 75.11 C ATOM 763 OE1 GLU A 50 -2.809 20.042 1.348 1.00 4.14 O ATOM 764 OE2 GLU A 50 -3.581 17.987 1.438 1.00 34.32 O ATOM 0 H GLU A 50 0.739 18.441 -1.662 1.00 23.25 H new ATOM 0 HA GLU A 50 0.343 21.047 -0.631 1.00 54.40 H new ATOM 0 HB2 GLU A 50 -1.919 20.506 -0.729 1.00 74.41 H new ATOM 0 HB3 GLU A 50 -1.240 19.433 -1.937 1.00 74.41 H new ATOM 0 HG2 GLU A 50 -2.393 17.820 -0.862 1.00 50.32 H new ATOM 0 HG3 GLU A 50 -1.063 17.844 0.279 1.00 50.32 H new ATOM 771 N PHE A 51 0.840 18.706 1.532 1.00 21.14 N ATOM 772 CA PHE A 51 1.002 18.410 2.951 1.00 34.41 C ATOM 773 C PHE A 51 2.458 18.566 3.377 1.00 4.10 C ATOM 774 O PHE A 51 2.754 18.768 4.554 1.00 43.41 O ATOM 775 CB PHE A 51 0.519 16.990 3.255 1.00 22.24 C ATOM 776 CG PHE A 51 -0.837 16.943 3.900 1.00 25.43 C ATOM 777 CD1 PHE A 51 -1.106 17.694 5.033 1.00 72.03 C ATOM 778 CD2 PHE A 51 -1.841 16.146 3.374 1.00 11.42 C ATOM 779 CE1 PHE A 51 -2.353 17.653 5.628 1.00 2.24 C ATOM 780 CE2 PHE A 51 -3.090 16.102 3.965 1.00 24.23 C ATOM 781 CZ PHE A 51 -3.345 16.855 5.094 1.00 14.14 C ATOM 0 H PHE A 51 1.217 17.994 0.907 1.00 21.14 H new ATOM 0 HA PHE A 51 0.399 19.121 3.516 1.00 34.41 H new ATOM 0 HB2 PHE A 51 0.491 16.418 2.328 1.00 22.24 H new ATOM 0 HB3 PHE A 51 1.241 16.502 3.909 1.00 22.24 H new ATOM 0 HD1 PHE A 51 -0.333 18.318 5.456 1.00 72.03 H new ATOM 0 HD2 PHE A 51 -1.646 15.553 2.493 1.00 11.42 H new ATOM 0 HE1 PHE A 51 -2.551 18.245 6.510 1.00 2.24 H new ATOM 0 HE2 PHE A 51 -3.866 15.479 3.544 1.00 24.23 H new ATOM 0 HZ PHE A 51 -4.319 16.820 5.559 1.00 14.14 H new ATOM 791 N GLY A 52 3.365 18.470 2.409 1.00 4.24 N ATOM 792 CA GLY A 52 4.780 18.603 2.703 1.00 24.42 C ATOM 793 C GLY A 52 5.383 17.320 3.242 1.00 1.52 C ATOM 794 O GLY A 52 6.587 17.249 3.489 1.00 23.02 O ATOM 0 H GLY A 52 3.145 18.303 1.427 1.00 4.24 H new ATOM 0 HA2 GLY A 52 5.310 18.898 1.797 1.00 24.42 H new ATOM 0 HA3 GLY A 52 4.923 19.402 3.430 1.00 24.42 H new ATOM 798 N ILE A 53 4.545 16.306 3.426 1.00 13.35 N ATOM 799 CA ILE A 53 5.002 15.021 3.940 1.00 2.33 C ATOM 800 C ILE A 53 3.952 13.937 3.723 1.00 63.01 C ATOM 801 O ILE A 53 2.860 14.207 3.224 1.00 3.21 O ATOM 802 CB ILE A 53 5.337 15.102 5.441 1.00 2.24 C ATOM 803 CG1 ILE A 53 4.509 16.200 6.113 1.00 61.14 C ATOM 804 CG2 ILE A 53 6.824 15.357 5.639 1.00 30.13 C ATOM 805 CD1 ILE A 53 4.355 16.013 7.606 1.00 41.13 C ATOM 0 H ILE A 53 3.546 16.349 3.227 1.00 13.35 H new ATOM 0 HA ILE A 53 5.906 14.764 3.388 1.00 2.33 H new ATOM 0 HB ILE A 53 5.086 14.148 5.906 1.00 2.24 H new ATOM 0 HG12 ILE A 53 4.978 17.165 5.922 1.00 61.14 H new ATOM 0 HG13 ILE A 53 3.520 16.230 5.655 1.00 61.14 H new ATOM 0 HG21 ILE A 53 7.045 15.412 6.705 1.00 30.13 H new ATOM 0 HG22 ILE A 53 7.395 14.544 5.191 1.00 30.13 H new ATOM 0 HG23 ILE A 53 7.098 16.298 5.163 1.00 30.13 H new ATOM 0 HD11 ILE A 53 3.757 16.828 8.015 1.00 41.13 H new ATOM 0 HD12 ILE A 53 3.858 15.063 7.804 1.00 41.13 H new ATOM 0 HD13 ILE A 53 5.338 16.013 8.076 1.00 41.13 H new ATOM 817 N ALA A 54 4.290 12.709 4.103 1.00 45.05 N ATOM 818 CA ALA A 54 3.376 11.584 3.953 1.00 53.12 C ATOM 819 C ALA A 54 3.437 10.662 5.166 1.00 75.12 C ATOM 820 O ALA A 54 4.067 9.605 5.123 1.00 12.43 O ATOM 821 CB ALA A 54 3.695 10.810 2.682 1.00 34.04 C ATOM 0 H ALA A 54 5.191 12.468 4.517 1.00 45.05 H new ATOM 0 HA ALA A 54 2.362 11.978 3.880 1.00 53.12 H new ATOM 0 HB1 ALA A 54 3.004 9.973 2.583 1.00 34.04 H new ATOM 0 HB2 ALA A 54 3.593 11.469 1.820 1.00 34.04 H new ATOM 0 HB3 ALA A 54 4.717 10.434 2.732 1.00 34.04 H new ATOM 827 N SER A 55 2.778 11.069 6.246 1.00 21.14 N ATOM 828 CA SER A 55 2.761 10.281 7.473 1.00 23.22 C ATOM 829 C SER A 55 1.940 10.976 8.554 1.00 14.23 C ATOM 830 O SER A 55 0.766 10.663 8.756 1.00 3.14 O ATOM 831 CB SER A 55 4.188 10.046 7.973 1.00 21.10 C ATOM 832 OG SER A 55 4.666 8.773 7.573 1.00 54.14 O ATOM 0 H SER A 55 2.249 11.940 6.296 1.00 21.14 H new ATOM 0 HA SER A 55 2.298 9.320 7.251 1.00 23.22 H new ATOM 0 HB2 SER A 55 4.846 10.823 7.584 1.00 21.10 H new ATOM 0 HB3 SER A 55 4.213 10.122 9.060 1.00 21.10 H new ATOM 0 HG SER A 55 4.596 8.688 6.599 1.00 54.14 H new ATOM 838 N VAL A 56 2.565 11.923 9.247 1.00 22.53 N ATOM 839 CA VAL A 56 1.893 12.664 10.308 1.00 42.24 C ATOM 840 C VAL A 56 0.864 13.632 9.734 1.00 4.22 C ATOM 841 O VAL A 56 -0.170 13.891 10.350 1.00 41.34 O ATOM 842 CB VAL A 56 2.900 13.452 11.167 1.00 62.14 C ATOM 843 CG1 VAL A 56 3.875 12.505 11.849 1.00 4.13 C ATOM 844 CG2 VAL A 56 3.642 14.472 10.316 1.00 13.22 C ATOM 0 H VAL A 56 3.536 12.195 9.093 1.00 22.53 H new ATOM 0 HA VAL A 56 1.388 11.930 10.936 1.00 42.24 H new ATOM 0 HB VAL A 56 2.350 13.989 11.940 1.00 62.14 H new ATOM 0 HG11 VAL A 56 4.579 13.079 12.451 1.00 4.13 H new ATOM 0 HG12 VAL A 56 3.325 11.817 12.491 1.00 4.13 H new ATOM 0 HG13 VAL A 56 4.421 11.939 11.094 1.00 4.13 H new ATOM 0 HG21 VAL A 56 4.349 15.020 10.939 1.00 13.22 H new ATOM 0 HG22 VAL A 56 4.181 13.958 9.520 1.00 13.22 H new ATOM 0 HG23 VAL A 56 2.928 15.170 9.879 1.00 13.22 H new ATOM 854 N ASP A 57 1.155 14.164 8.552 1.00 61.51 N ATOM 855 CA ASP A 57 0.254 15.103 7.893 1.00 23.53 C ATOM 856 C ASP A 57 -0.931 14.372 7.270 1.00 41.23 C ATOM 857 O ASP A 57 -1.850 14.998 6.741 1.00 31.35 O ATOM 858 CB ASP A 57 1.004 15.894 6.820 1.00 33.22 C ATOM 859 CG ASP A 57 1.165 17.356 7.186 1.00 2.22 C ATOM 860 OD1 ASP A 57 2.261 17.909 6.953 1.00 55.23 O ATOM 861 OD2 ASP A 57 0.196 17.948 7.705 1.00 31.13 O ATOM 0 H ASP A 57 2.008 13.961 8.030 1.00 61.51 H new ATOM 0 HA ASP A 57 -0.124 15.795 8.645 1.00 23.53 H new ATOM 0 HB2 ASP A 57 1.988 15.450 6.667 1.00 33.22 H new ATOM 0 HB3 ASP A 57 0.468 15.816 5.874 1.00 33.22 H new ATOM 866 N SER A 58 -0.902 13.045 7.334 1.00 30.20 N ATOM 867 CA SER A 58 -1.972 12.229 6.771 1.00 25.23 C ATOM 868 C SER A 58 -3.311 12.567 7.419 1.00 22.31 C ATOM 869 O SER A 58 -4.371 12.273 6.867 1.00 0.15 O ATOM 870 CB SER A 58 -1.661 10.743 6.960 1.00 32.34 C ATOM 871 OG SER A 58 -2.733 9.936 6.504 1.00 60.20 O ATOM 0 H SER A 58 -0.150 12.512 7.770 1.00 30.20 H new ATOM 0 HA SER A 58 -2.039 12.446 5.705 1.00 25.23 H new ATOM 0 HB2 SER A 58 -0.752 10.486 6.416 1.00 32.34 H new ATOM 0 HB3 SER A 58 -1.471 10.539 8.014 1.00 32.34 H new ATOM 0 HG SER A 58 -2.509 8.991 6.634 1.00 60.20 H new ATOM 877 N MET A 59 -3.253 13.186 8.594 1.00 74.14 N ATOM 878 CA MET A 59 -4.461 13.565 9.317 1.00 55.40 C ATOM 879 C MET A 59 -4.381 15.014 9.787 1.00 10.24 C ATOM 880 O MET A 59 -4.260 15.283 10.982 1.00 21.32 O ATOM 881 CB MET A 59 -4.676 12.639 10.515 1.00 32.04 C ATOM 882 CG MET A 59 -3.441 12.475 11.386 1.00 42.11 C ATOM 883 SD MET A 59 -2.732 10.820 11.282 1.00 51.45 S ATOM 884 CE MET A 59 -4.049 9.842 12.000 1.00 12.12 C ATOM 0 H MET A 59 -2.383 13.435 9.065 1.00 74.14 H new ATOM 0 HA MET A 59 -5.307 13.468 8.637 1.00 55.40 H new ATOM 0 HB2 MET A 59 -5.491 13.030 11.124 1.00 32.04 H new ATOM 0 HB3 MET A 59 -4.989 11.659 10.155 1.00 32.04 H new ATOM 0 HG2 MET A 59 -2.691 13.207 11.087 1.00 42.11 H new ATOM 0 HG3 MET A 59 -3.701 12.690 12.422 1.00 42.11 H new ATOM 0 HE1 MET A 59 -3.635 8.922 12.413 1.00 12.12 H new ATOM 0 HE2 MET A 59 -4.533 10.411 12.794 1.00 12.12 H new ATOM 0 HE3 MET A 59 -4.781 9.597 11.231 1.00 12.12 H new ATOM 894 N ALA A 60 -4.449 15.944 8.840 1.00 21.11 N ATOM 895 CA ALA A 60 -4.385 17.365 9.158 1.00 34.14 C ATOM 896 C ALA A 60 -5.207 18.186 8.171 1.00 74.13 C ATOM 897 O ALA A 60 -4.657 18.911 7.343 1.00 70.25 O ATOM 898 CB ALA A 60 -2.940 17.840 9.168 1.00 61.41 C ATOM 0 H ALA A 60 -4.548 15.739 7.846 1.00 21.11 H new ATOM 0 HA ALA A 60 -4.809 17.509 10.152 1.00 34.14 H new ATOM 0 HB1 ALA A 60 -2.908 18.903 9.407 1.00 61.41 H new ATOM 0 HB2 ALA A 60 -2.379 17.282 9.918 1.00 61.41 H new ATOM 0 HB3 ALA A 60 -2.496 17.675 8.186 1.00 61.41 H new ATOM 904 N ALA A 61 -6.528 18.067 8.264 1.00 62.41 N ATOM 905 CA ALA A 61 -7.425 18.799 7.379 1.00 33.12 C ATOM 906 C ALA A 61 -8.841 18.839 7.944 1.00 10.35 C ATOM 907 O ALA A 61 -9.243 17.959 8.706 1.00 63.41 O ATOM 908 CB ALA A 61 -7.426 18.173 5.992 1.00 33.14 C ATOM 0 H ALA A 61 -7.000 17.470 8.944 1.00 62.41 H new ATOM 0 HA ALA A 61 -7.063 19.824 7.302 1.00 33.12 H new ATOM 0 HB1 ALA A 61 -8.100 18.730 5.342 1.00 33.14 H new ATOM 0 HB2 ALA A 61 -6.418 18.202 5.579 1.00 33.14 H new ATOM 0 HB3 ALA A 61 -7.761 17.138 6.060 1.00 33.14 H new ATOM 914 N THR A 62 -9.595 19.868 7.568 1.00 64.11 N ATOM 915 CA THR A 62 -10.965 20.024 8.039 1.00 40.13 C ATOM 916 C THR A 62 -11.905 20.368 6.889 1.00 35.33 C ATOM 917 O THR A 62 -11.536 21.095 5.966 1.00 30.34 O ATOM 918 CB THR A 62 -11.067 21.120 9.116 1.00 53.40 C ATOM 919 OG1 THR A 62 -10.760 22.398 8.546 1.00 71.50 O ATOM 920 CG2 THR A 62 -10.120 20.834 10.271 1.00 31.13 C ATOM 0 H THR A 62 -9.279 20.606 6.938 1.00 64.11 H new ATOM 0 HA THR A 62 -11.261 19.069 8.474 1.00 40.13 H new ATOM 0 HB THR A 62 -12.088 21.129 9.498 1.00 53.40 H new ATOM 0 HG1 THR A 62 -10.982 23.104 9.188 1.00 71.50 H new ATOM 0 HG21 THR A 62 -10.210 21.622 11.019 1.00 31.13 H new ATOM 0 HG22 THR A 62 -10.375 19.875 10.722 1.00 31.13 H new ATOM 0 HG23 THR A 62 -9.095 20.800 9.901 1.00 31.13 H new ATOM 928 N THR A 63 -13.125 19.841 6.951 1.00 43.04 N ATOM 929 CA THR A 63 -14.118 20.092 5.914 1.00 35.35 C ATOM 930 C THR A 63 -14.949 21.329 6.237 1.00 63.13 C ATOM 931 O THR A 63 -14.953 21.809 7.370 1.00 5.04 O ATOM 932 CB THR A 63 -15.061 18.887 5.737 1.00 33.40 C ATOM 933 OG1 THR A 63 -15.877 19.070 4.574 1.00 21.24 O ATOM 934 CG2 THR A 63 -15.947 18.708 6.961 1.00 61.31 C ATOM 0 H THR A 63 -13.448 19.238 7.708 1.00 43.04 H new ATOM 0 HA THR A 63 -13.571 20.257 4.985 1.00 35.35 H new ATOM 0 HB THR A 63 -14.451 17.992 5.616 1.00 33.40 H new ATOM 0 HG1 THR A 63 -16.472 18.299 4.468 1.00 21.24 H new ATOM 0 HG21 THR A 63 -16.604 17.851 6.812 1.00 61.31 H new ATOM 0 HG22 THR A 63 -15.324 18.540 7.840 1.00 61.31 H new ATOM 0 HG23 THR A 63 -16.548 19.605 7.109 1.00 61.31 H new ATOM 942 N LYS A 64 -15.652 21.841 5.233 1.00 53.41 N ATOM 943 CA LYS A 64 -16.489 23.022 5.409 1.00 11.40 C ATOM 944 C LYS A 64 -17.622 22.745 6.392 1.00 22.02 C ATOM 945 O LYS A 64 -18.124 23.657 7.049 1.00 50.43 O ATOM 946 CB LYS A 64 -17.065 23.470 4.064 1.00 73.33 C ATOM 947 CG LYS A 64 -16.033 23.536 2.952 1.00 41.43 C ATOM 948 CD LYS A 64 -14.873 24.445 3.322 1.00 64.02 C ATOM 949 CE LYS A 64 -13.572 23.666 3.444 1.00 42.21 C ATOM 950 NZ LYS A 64 -12.399 24.474 3.010 1.00 4.53 N ATOM 0 H LYS A 64 -15.659 21.457 4.288 1.00 53.41 H new ATOM 0 HA LYS A 64 -15.867 23.820 5.815 1.00 11.40 H new ATOM 0 HB2 LYS A 64 -17.859 22.783 3.771 1.00 73.33 H new ATOM 0 HB3 LYS A 64 -17.522 24.452 4.183 1.00 73.33 H new ATOM 0 HG2 LYS A 64 -15.659 22.534 2.742 1.00 41.43 H new ATOM 0 HG3 LYS A 64 -16.504 23.899 2.038 1.00 41.43 H new ATOM 0 HD2 LYS A 64 -14.763 25.223 2.566 1.00 64.02 H new ATOM 0 HD3 LYS A 64 -15.088 24.946 4.266 1.00 64.02 H new ATOM 0 HE2 LYS A 64 -13.433 23.351 4.478 1.00 42.21 H new ATOM 0 HE3 LYS A 64 -13.633 22.761 2.840 1.00 42.21 H new ATOM 0 HZ1 LYS A 64 -11.523 24.019 3.339 1.00 4.53 H new ATOM 0 HZ2 LYS A 64 -12.387 24.539 1.972 1.00 4.53 H new ATOM 0 HZ3 LYS A 64 -12.466 25.429 3.416 1.00 4.53 H new ATOM 964 N ASP A 65 -18.018 21.481 6.489 1.00 32.24 N ATOM 965 CA ASP A 65 -19.090 21.083 7.395 1.00 40.02 C ATOM 966 C ASP A 65 -18.591 21.024 8.835 1.00 23.31 C ATOM 967 O ASP A 65 -19.374 21.118 9.779 1.00 73.42 O ATOM 968 CB ASP A 65 -19.657 19.724 6.982 1.00 20.21 C ATOM 969 CG ASP A 65 -21.173 19.701 6.994 1.00 42.25 C ATOM 970 OD1 ASP A 65 -21.784 20.472 6.224 1.00 61.03 O ATOM 971 OD2 ASP A 65 -21.748 18.912 7.772 1.00 51.24 O ATOM 0 H ASP A 65 -17.613 20.714 5.952 1.00 32.24 H new ATOM 0 HA ASP A 65 -19.880 21.831 7.334 1.00 40.02 H new ATOM 0 HB2 ASP A 65 -19.301 19.473 5.983 1.00 20.21 H new ATOM 0 HB3 ASP A 65 -19.280 18.956 7.657 1.00 20.21 H new ATOM 976 N GLY A 66 -17.280 20.866 8.996 1.00 13.00 N ATOM 977 CA GLY A 66 -16.699 20.796 10.324 1.00 71.51 C ATOM 978 C GLY A 66 -15.424 19.977 10.356 1.00 62.10 C ATOM 979 O GLY A 66 -14.364 20.446 9.938 1.00 15.03 O ATOM 0 H GLY A 66 -16.611 20.785 8.231 1.00 13.00 H new ATOM 0 HA2 GLY A 66 -16.488 21.805 10.679 1.00 71.51 H new ATOM 0 HA3 GLY A 66 -17.424 20.361 11.012 1.00 71.51 H new ATOM 983 N THR A 67 -15.523 18.749 10.855 1.00 71.52 N ATOM 984 CA THR A 67 -14.368 17.864 10.943 1.00 74.43 C ATOM 985 C THR A 67 -14.081 17.200 9.601 1.00 71.40 C ATOM 986 O THR A 67 -14.977 16.641 8.969 1.00 22.35 O ATOM 987 CB THR A 67 -14.577 16.772 12.009 1.00 74.42 C ATOM 988 OG1 THR A 67 -15.318 17.301 13.114 1.00 51.21 O ATOM 989 CG2 THR A 67 -13.243 16.231 12.499 1.00 45.22 C ATOM 0 H THR A 67 -16.392 18.344 11.205 1.00 71.52 H new ATOM 0 HA THR A 67 -13.517 18.482 11.229 1.00 74.43 H new ATOM 0 HB THR A 67 -15.137 15.955 11.555 1.00 74.42 H new ATOM 0 HG1 THR A 67 -15.448 16.600 13.786 1.00 51.21 H new ATOM 0 HG21 THR A 67 -13.417 15.461 13.251 1.00 45.22 H new ATOM 0 HG22 THR A 67 -12.694 15.802 11.661 1.00 45.22 H new ATOM 0 HG23 THR A 67 -12.660 17.041 12.937 1.00 45.22 H new ATOM 997 N GLY A 68 -12.825 17.264 9.171 1.00 44.22 N ATOM 998 CA GLY A 68 -12.442 16.664 7.906 1.00 2.20 C ATOM 999 C GLY A 68 -11.500 15.490 8.083 1.00 61.11 C ATOM 1000 O GLY A 68 -10.280 15.659 8.081 1.00 71.50 O ATOM 0 H GLY A 68 -12.065 17.721 9.676 1.00 44.22 H new ATOM 0 HA2 GLY A 68 -13.337 16.332 7.379 1.00 2.20 H new ATOM 0 HA3 GLY A 68 -11.965 17.418 7.280 1.00 2.20 H new ATOM 1004 N ILE A 69 -12.066 14.298 8.238 1.00 63.33 N ATOM 1005 CA ILE A 69 -11.268 13.091 8.417 1.00 5.43 C ATOM 1006 C ILE A 69 -11.276 12.234 7.157 1.00 74.44 C ATOM 1007 O ILE A 69 -12.322 11.739 6.738 1.00 61.32 O ATOM 1008 CB ILE A 69 -11.779 12.249 9.601 1.00 4.22 C ATOM 1009 CG1 ILE A 69 -11.727 13.064 10.895 1.00 5.21 C ATOM 1010 CG2 ILE A 69 -10.958 10.975 9.738 1.00 54.20 C ATOM 1011 CD1 ILE A 69 -12.671 12.562 11.964 1.00 32.52 C ATOM 0 H ILE A 69 -13.074 14.142 8.243 1.00 63.33 H new ATOM 0 HA ILE A 69 -10.248 13.415 8.625 1.00 5.43 H new ATOM 0 HB ILE A 69 -12.816 11.972 9.410 1.00 4.22 H new ATOM 0 HG12 ILE A 69 -10.709 13.048 11.284 1.00 5.21 H new ATOM 0 HG13 ILE A 69 -11.966 14.103 10.670 1.00 5.21 H new ATOM 0 HG21 ILE A 69 -11.331 10.390 10.579 1.00 54.20 H new ATOM 0 HG22 ILE A 69 -11.041 10.388 8.823 1.00 54.20 H new ATOM 0 HG23 ILE A 69 -9.913 11.232 9.910 1.00 54.20 H new ATOM 0 HD11 ILE A 69 -12.580 13.187 12.852 1.00 32.52 H new ATOM 0 HD12 ILE A 69 -13.695 12.604 11.594 1.00 32.52 H new ATOM 0 HD13 ILE A 69 -12.419 11.532 12.218 1.00 32.52 H new ATOM 1023 N ASN A 70 -10.103 12.061 6.557 1.00 60.32 N ATOM 1024 CA ASN A 70 -9.975 11.261 5.344 1.00 40.11 C ATOM 1025 C ASN A 70 -9.240 9.955 5.629 1.00 74.44 C ATOM 1026 O ASN A 70 -8.037 9.827 5.399 1.00 14.24 O ATOM 1027 CB ASN A 70 -9.234 12.051 4.263 1.00 22.02 C ATOM 1028 CG ASN A 70 -7.872 12.529 4.728 1.00 22.21 C ATOM 1029 OD1 ASN A 70 -7.482 12.306 5.874 1.00 5.44 O ATOM 1030 ND2 ASN A 70 -7.141 13.190 3.838 1.00 72.23 N ATOM 0 H ASN A 70 -9.227 12.464 6.891 1.00 60.32 H new ATOM 0 HA ASN A 70 -10.977 11.023 4.988 1.00 40.11 H new ATOM 0 HB2 ASN A 70 -9.114 11.426 3.378 1.00 22.02 H new ATOM 0 HB3 ASN A 70 -9.836 12.910 3.967 1.00 22.02 H new ATOM 0 HD21 ASN A 70 -6.216 13.536 4.094 1.00 72.23 H new ATOM 0 HD22 ASN A 70 -7.504 13.352 2.899 1.00 72.23 H new ATOM 1037 N PRO A 71 -9.980 8.959 6.140 1.00 41.31 N ATOM 1038 CA PRO A 71 -9.420 7.644 6.466 1.00 52.20 C ATOM 1039 C PRO A 71 -9.038 6.852 5.220 1.00 31.14 C ATOM 1040 O PRO A 71 -7.936 6.311 5.131 1.00 12.41 O ATOM 1041 CB PRO A 71 -10.561 6.949 7.213 1.00 21.41 C ATOM 1042 CG PRO A 71 -11.799 7.613 6.717 1.00 21.34 C ATOM 1043 CD PRO A 71 -11.420 9.041 6.439 1.00 65.23 C ATOM 0 HA PRO A 71 -8.500 7.724 7.045 1.00 52.20 H new ATOM 0 HB2 PRO A 71 -10.576 5.879 7.006 1.00 21.41 H new ATOM 0 HB3 PRO A 71 -10.455 7.064 8.292 1.00 21.41 H new ATOM 0 HG2 PRO A 71 -12.169 7.125 5.815 1.00 21.34 H new ATOM 0 HG3 PRO A 71 -12.595 7.558 7.459 1.00 21.34 H new ATOM 0 HD2 PRO A 71 -11.982 9.450 5.599 1.00 65.23 H new ATOM 0 HD3 PRO A 71 -11.616 9.683 7.297 1.00 65.23 H new ATOM 1051 N ALA A 72 -9.955 6.788 4.261 1.00 35.40 N ATOM 1052 CA ALA A 72 -9.713 6.063 3.020 1.00 40.45 C ATOM 1053 C ALA A 72 -9.114 6.979 1.958 1.00 52.44 C ATOM 1054 O ALA A 72 -8.384 6.527 1.076 1.00 4.44 O ATOM 1055 CB ALA A 72 -11.004 5.438 2.513 1.00 70.24 C ATOM 0 H ALA A 72 -10.873 7.230 4.320 1.00 35.40 H new ATOM 0 HA ALA A 72 -8.995 5.269 3.226 1.00 40.45 H new ATOM 0 HB1 ALA A 72 -10.808 4.900 1.586 1.00 70.24 H new ATOM 0 HB2 ALA A 72 -11.391 4.745 3.260 1.00 70.24 H new ATOM 0 HB3 ALA A 72 -11.740 6.221 2.330 1.00 70.24 H new ATOM 1061 N GLN A 73 -9.429 8.267 2.048 1.00 53.42 N ATOM 1062 CA GLN A 73 -8.923 9.246 1.093 1.00 63.02 C ATOM 1063 C GLN A 73 -9.230 8.819 -0.339 1.00 2.12 C ATOM 1064 O GLN A 73 -8.534 9.209 -1.277 1.00 74.25 O ATOM 1065 CB GLN A 73 -7.415 9.430 1.270 1.00 24.34 C ATOM 1066 CG GLN A 73 -6.978 9.505 2.725 1.00 61.34 C ATOM 1067 CD GLN A 73 -5.472 9.586 2.878 1.00 21.32 C ATOM 1068 OE1 GLN A 73 -4.772 8.577 2.786 1.00 63.02 O ATOM 1069 NE2 GLN A 73 -4.964 10.790 3.114 1.00 35.11 N ATOM 0 H GLN A 73 -10.032 8.657 2.772 1.00 53.42 H new ATOM 0 HA GLN A 73 -9.423 10.195 1.285 1.00 63.02 H new ATOM 0 HB2 GLN A 73 -6.897 8.602 0.786 1.00 24.34 H new ATOM 0 HB3 GLN A 73 -7.106 10.342 0.759 1.00 24.34 H new ATOM 0 HG2 GLN A 73 -7.434 10.377 3.193 1.00 61.34 H new ATOM 0 HG3 GLN A 73 -7.347 8.628 3.257 1.00 61.34 H new ATOM 0 HE21 GLN A 73 -5.581 11.599 3.183 1.00 35.11 H new ATOM 0 HE22 GLN A 73 -3.957 10.905 3.227 1.00 35.11 H new ATOM 1078 N THR A 74 -10.276 8.015 -0.500 1.00 33.01 N ATOM 1079 CA THR A 74 -10.675 7.534 -1.817 1.00 22.35 C ATOM 1080 C THR A 74 -11.456 8.598 -2.578 1.00 12.42 C ATOM 1081 O THR A 74 -11.973 9.545 -1.985 1.00 45.22 O ATOM 1082 CB THR A 74 -11.533 6.259 -1.713 1.00 14.15 C ATOM 1083 OG1 THR A 74 -11.151 5.504 -0.558 1.00 30.43 O ATOM 1084 CG2 THR A 74 -11.381 5.401 -2.959 1.00 73.14 C ATOM 0 H THR A 74 -10.863 7.683 0.266 1.00 33.01 H new ATOM 0 HA THR A 74 -9.758 7.303 -2.360 1.00 22.35 H new ATOM 0 HB THR A 74 -12.577 6.557 -1.622 1.00 14.15 H new ATOM 0 HG1 THR A 74 -11.702 4.696 -0.498 1.00 30.43 H new ATOM 0 HG21 THR A 74 -11.996 4.506 -2.862 1.00 73.14 H new ATOM 0 HG22 THR A 74 -11.701 5.969 -3.833 1.00 73.14 H new ATOM 0 HG23 THR A 74 -10.337 5.112 -3.077 1.00 73.14 H new ATOM 1092 N ALA A 75 -11.539 8.436 -3.894 1.00 55.53 N ATOM 1093 CA ALA A 75 -12.261 9.383 -4.736 1.00 63.22 C ATOM 1094 C ALA A 75 -13.741 9.423 -4.373 1.00 12.41 C ATOM 1095 O ALA A 75 -14.321 10.496 -4.210 1.00 32.01 O ATOM 1096 CB ALA A 75 -12.085 9.023 -6.204 1.00 53.42 C ATOM 0 H ALA A 75 -11.116 7.658 -4.401 1.00 55.53 H new ATOM 0 HA ALA A 75 -11.845 10.376 -4.564 1.00 63.22 H new ATOM 0 HB1 ALA A 75 -12.629 9.738 -6.822 1.00 53.42 H new ATOM 0 HB2 ALA A 75 -11.026 9.053 -6.462 1.00 53.42 H new ATOM 0 HB3 ALA A 75 -12.474 8.020 -6.382 1.00 53.42 H new ATOM 1102 N GLY A 76 -14.348 8.247 -4.248 1.00 22.30 N ATOM 1103 CA GLY A 76 -15.756 8.171 -3.906 1.00 30.24 C ATOM 1104 C GLY A 76 -16.039 8.667 -2.502 1.00 1.34 C ATOM 1105 O GLY A 76 -17.060 9.308 -2.257 1.00 32.12 O ATOM 0 H GLY A 76 -13.889 7.345 -4.378 1.00 22.30 H new ATOM 0 HA2 GLY A 76 -16.332 8.760 -4.619 1.00 30.24 H new ATOM 0 HA3 GLY A 76 -16.094 7.139 -3.998 1.00 30.24 H new ATOM 1109 N ASN A 77 -15.132 8.370 -1.576 1.00 73.44 N ATOM 1110 CA ASN A 77 -15.291 8.788 -0.188 1.00 42.54 C ATOM 1111 C ASN A 77 -15.082 10.293 -0.047 1.00 41.11 C ATOM 1112 O ASN A 77 -15.957 11.009 0.440 1.00 3.24 O ATOM 1113 CB ASN A 77 -14.303 8.039 0.708 1.00 34.32 C ATOM 1114 CG ASN A 77 -14.864 6.722 1.211 1.00 45.13 C ATOM 1115 OD1 ASN A 77 -14.856 6.449 2.411 1.00 1.32 O ATOM 1116 ND2 ASN A 77 -15.353 5.898 0.291 1.00 0.24 N ATOM 0 H ASN A 77 -14.280 7.842 -1.762 1.00 73.44 H new ATOM 0 HA ASN A 77 -16.308 8.549 0.124 1.00 42.54 H new ATOM 0 HB2 ASN A 77 -13.384 7.851 0.153 1.00 34.32 H new ATOM 0 HB3 ASN A 77 -14.039 8.667 1.559 1.00 34.32 H new ATOM 0 HD21 ASN A 77 -15.743 4.997 0.569 1.00 0.24 H new ATOM 0 HD22 ASN A 77 -15.339 6.166 -0.693 1.00 0.24 H new ATOM 1123 N VAL A 78 -13.917 10.766 -0.477 1.00 44.45 N ATOM 1124 CA VAL A 78 -13.593 12.186 -0.401 1.00 23.11 C ATOM 1125 C VAL A 78 -14.626 13.026 -1.143 1.00 0.21 C ATOM 1126 O VAL A 78 -14.972 14.126 -0.712 1.00 53.44 O ATOM 1127 CB VAL A 78 -12.197 12.475 -0.984 1.00 40.43 C ATOM 1128 CG1 VAL A 78 -11.900 13.967 -0.945 1.00 33.33 C ATOM 1129 CG2 VAL A 78 -11.132 11.691 -0.232 1.00 14.52 C ATOM 0 H VAL A 78 -13.181 10.187 -0.882 1.00 44.45 H new ATOM 0 HA VAL A 78 -13.600 12.456 0.655 1.00 23.11 H new ATOM 0 HB VAL A 78 -12.184 12.153 -2.025 1.00 40.43 H new ATOM 0 HG11 VAL A 78 -10.910 14.152 -1.361 1.00 33.33 H new ATOM 0 HG12 VAL A 78 -12.646 14.502 -1.533 1.00 33.33 H new ATOM 0 HG13 VAL A 78 -11.931 14.317 0.087 1.00 33.33 H new ATOM 0 HG21 VAL A 78 -10.152 11.908 -0.658 1.00 14.52 H new ATOM 0 HG22 VAL A 78 -11.143 11.979 0.819 1.00 14.52 H new ATOM 0 HG23 VAL A 78 -11.337 10.624 -0.318 1.00 14.52 H new ATOM 1139 N PHE A 79 -15.116 12.500 -2.261 1.00 3.32 N ATOM 1140 CA PHE A 79 -16.110 13.202 -3.064 1.00 40.12 C ATOM 1141 C PHE A 79 -17.319 13.588 -2.217 1.00 51.54 C ATOM 1142 O PHE A 79 -17.874 14.677 -2.369 1.00 24.45 O ATOM 1143 CB PHE A 79 -16.554 12.330 -4.240 1.00 74.12 C ATOM 1144 CG PHE A 79 -17.696 12.915 -5.022 1.00 65.54 C ATOM 1145 CD1 PHE A 79 -19.004 12.558 -4.736 1.00 45.31 C ATOM 1146 CD2 PHE A 79 -17.460 13.820 -6.044 1.00 72.05 C ATOM 1147 CE1 PHE A 79 -20.056 13.095 -5.454 1.00 30.42 C ATOM 1148 CE2 PHE A 79 -18.509 14.360 -6.765 1.00 64.12 C ATOM 1149 CZ PHE A 79 -19.808 13.996 -6.470 1.00 60.14 C ATOM 0 H PHE A 79 -14.841 11.590 -2.631 1.00 3.32 H new ATOM 0 HA PHE A 79 -15.653 14.113 -3.449 1.00 40.12 H new ATOM 0 HB2 PHE A 79 -15.707 12.177 -4.909 1.00 74.12 H new ATOM 0 HB3 PHE A 79 -16.846 11.349 -3.865 1.00 74.12 H new ATOM 0 HD1 PHE A 79 -19.204 11.852 -3.943 1.00 45.31 H new ATOM 0 HD2 PHE A 79 -16.446 14.107 -6.280 1.00 72.05 H new ATOM 0 HE1 PHE A 79 -21.071 12.810 -5.220 1.00 30.42 H new ATOM 0 HE2 PHE A 79 -18.313 15.066 -7.558 1.00 64.12 H new ATOM 0 HZ PHE A 79 -20.628 14.416 -7.033 1.00 60.14 H new ATOM 1159 N MET A 80 -17.722 12.688 -1.327 1.00 12.22 N ATOM 1160 CA MET A 80 -18.865 12.935 -0.455 1.00 72.42 C ATOM 1161 C MET A 80 -18.415 13.519 0.880 1.00 22.50 C ATOM 1162 O MET A 80 -19.215 14.089 1.622 1.00 50.35 O ATOM 1163 CB MET A 80 -19.644 11.639 -0.222 1.00 34.13 C ATOM 1164 CG MET A 80 -20.734 11.391 -1.252 1.00 60.12 C ATOM 1165 SD MET A 80 -20.812 9.668 -1.780 1.00 10.44 S ATOM 1166 CE MET A 80 -21.558 9.844 -3.399 1.00 24.43 C ATOM 0 H MET A 80 -17.275 11.782 -1.190 1.00 12.22 H new ATOM 0 HA MET A 80 -19.516 13.659 -0.946 1.00 72.42 H new ATOM 0 HB2 MET A 80 -18.948 10.800 -0.232 1.00 34.13 H new ATOM 0 HB3 MET A 80 -20.093 11.668 0.771 1.00 34.13 H new ATOM 0 HG2 MET A 80 -21.697 11.683 -0.833 1.00 60.12 H new ATOM 0 HG3 MET A 80 -20.559 12.026 -2.121 1.00 60.12 H new ATOM 0 HE1 MET A 80 -21.673 8.861 -3.856 1.00 24.43 H new ATOM 0 HE2 MET A 80 -22.536 10.314 -3.300 1.00 24.43 H new ATOM 0 HE3 MET A 80 -20.920 10.464 -4.028 1.00 24.43 H new ATOM 1176 N LYS A 81 -17.129 13.372 1.181 1.00 30.12 N ATOM 1177 CA LYS A 81 -16.571 13.885 2.427 1.00 51.33 C ATOM 1178 C LYS A 81 -16.394 15.399 2.361 1.00 71.15 C ATOM 1179 O LYS A 81 -16.929 16.133 3.192 1.00 63.01 O ATOM 1180 CB LYS A 81 -15.226 13.216 2.721 1.00 15.31 C ATOM 1181 CG LYS A 81 -15.143 12.602 4.108 1.00 53.41 C ATOM 1182 CD LYS A 81 -16.108 11.439 4.261 1.00 33.24 C ATOM 1183 CE LYS A 81 -15.762 10.299 3.316 1.00 23.20 C ATOM 1184 NZ LYS A 81 -15.457 9.041 4.052 1.00 23.14 N ATOM 0 H LYS A 81 -16.453 12.902 0.579 1.00 30.12 H new ATOM 0 HA LYS A 81 -17.269 13.653 3.231 1.00 51.33 H new ATOM 0 HB2 LYS A 81 -15.046 12.440 1.978 1.00 15.31 H new ATOM 0 HB3 LYS A 81 -14.431 13.954 2.611 1.00 15.31 H new ATOM 0 HG2 LYS A 81 -14.125 12.259 4.295 1.00 53.41 H new ATOM 0 HG3 LYS A 81 -15.366 13.362 4.857 1.00 53.41 H new ATOM 0 HD2 LYS A 81 -16.086 11.080 5.290 1.00 33.24 H new ATOM 0 HD3 LYS A 81 -17.124 11.780 4.064 1.00 33.24 H new ATOM 0 HE2 LYS A 81 -16.595 10.128 2.634 1.00 23.20 H new ATOM 0 HE3 LYS A 81 -14.903 10.580 2.707 1.00 23.20 H new ATOM 0 HZ1 LYS A 81 -15.293 8.272 3.372 1.00 23.14 H new ATOM 0 HZ2 LYS A 81 -14.606 9.177 4.634 1.00 23.14 H new ATOM 0 HZ3 LYS A 81 -16.260 8.795 4.666 1.00 23.14 H new ATOM 1198 N TYR A 82 -15.642 15.859 1.367 1.00 54.03 N ATOM 1199 CA TYR A 82 -15.395 17.285 1.193 1.00 43.30 C ATOM 1200 C TYR A 82 -15.940 17.774 -0.145 1.00 54.03 C ATOM 1201 O TYR A 82 -16.300 18.941 -0.293 1.00 55.11 O ATOM 1202 CB TYR A 82 -13.896 17.579 1.283 1.00 32.31 C ATOM 1203 CG TYR A 82 -13.173 16.728 2.302 1.00 23.32 C ATOM 1204 CD1 TYR A 82 -13.679 16.567 3.586 1.00 24.14 C ATOM 1205 CD2 TYR A 82 -11.983 16.085 1.982 1.00 53.44 C ATOM 1206 CE1 TYR A 82 -13.021 15.791 4.521 1.00 22.11 C ATOM 1207 CE2 TYR A 82 -11.320 15.306 2.909 1.00 4.44 C ATOM 1208 CZ TYR A 82 -11.842 15.162 4.178 1.00 51.43 C ATOM 1209 OH TYR A 82 -11.183 14.388 5.105 1.00 12.32 O ATOM 0 H TYR A 82 -15.193 15.265 0.670 1.00 54.03 H new ATOM 0 HA TYR A 82 -15.912 17.817 1.992 1.00 43.30 H new ATOM 0 HB2 TYR A 82 -13.444 17.421 0.304 1.00 32.31 H new ATOM 0 HB3 TYR A 82 -13.755 18.630 1.534 1.00 32.31 H new ATOM 0 HD1 TYR A 82 -14.602 17.057 3.858 1.00 24.14 H new ATOM 0 HD2 TYR A 82 -11.570 16.197 0.990 1.00 53.44 H new ATOM 0 HE1 TYR A 82 -13.428 15.677 5.515 1.00 22.11 H new ATOM 0 HE2 TYR A 82 -10.397 14.812 2.642 1.00 4.44 H new ATOM 0 HH TYR A 82 -10.285 14.751 5.256 1.00 12.32 H new ATOM 1219 N GLY A 83 -15.999 16.870 -1.119 1.00 0.21 N ATOM 1220 CA GLY A 83 -16.502 17.227 -2.433 1.00 31.44 C ATOM 1221 C GLY A 83 -15.836 18.468 -2.991 1.00 40.24 C ATOM 1222 O GLY A 83 -16.473 19.512 -3.131 1.00 30.21 O ATOM 0 H GLY A 83 -15.708 15.897 -1.021 1.00 0.21 H new ATOM 0 HA2 GLY A 83 -16.343 16.394 -3.118 1.00 31.44 H new ATOM 0 HA3 GLY A 83 -17.578 17.391 -2.375 1.00 31.44 H new ATOM 1226 N GLN A 84 -14.551 18.356 -3.310 1.00 64.31 N ATOM 1227 CA GLN A 84 -13.798 19.480 -3.854 1.00 62.43 C ATOM 1228 C GLN A 84 -13.953 20.716 -2.975 1.00 20.24 C ATOM 1229 O GLN A 84 -14.359 21.777 -3.446 1.00 41.24 O ATOM 1230 CB GLN A 84 -14.263 19.791 -5.278 1.00 22.40 C ATOM 1231 CG GLN A 84 -14.248 18.582 -6.201 1.00 3.55 C ATOM 1232 CD GLN A 84 -15.578 17.857 -6.234 1.00 34.01 C ATOM 1233 OE1 GLN A 84 -15.698 16.733 -5.746 1.00 61.43 O ATOM 1234 NE2 GLN A 84 -16.588 18.498 -6.811 1.00 31.12 N ATOM 0 H GLN A 84 -14.009 17.499 -3.201 1.00 64.31 H new ATOM 0 HA GLN A 84 -12.744 19.202 -3.876 1.00 62.43 H new ATOM 0 HB2 GLN A 84 -15.274 20.197 -5.241 1.00 22.40 H new ATOM 0 HB3 GLN A 84 -13.624 20.567 -5.699 1.00 22.40 H new ATOM 0 HG2 GLN A 84 -13.988 18.903 -7.210 1.00 3.55 H new ATOM 0 HG3 GLN A 84 -13.470 17.891 -5.876 1.00 3.55 H new ATOM 0 HE21 GLN A 84 -16.444 19.429 -7.203 1.00 31.12 H new ATOM 0 HE22 GLN A 84 -17.508 18.060 -6.862 1.00 31.12 H new ATOM 1243 N GLU A 85 -13.627 20.569 -1.694 1.00 54.50 N ATOM 1244 CA GLU A 85 -13.732 21.675 -0.749 1.00 33.22 C ATOM 1245 C GLU A 85 -13.200 21.270 0.623 1.00 50.11 C ATOM 1246 O GLU A 85 -13.966 20.899 1.513 1.00 52.42 O ATOM 1247 CB GLU A 85 -15.186 22.136 -0.628 1.00 74.41 C ATOM 1248 CG GLU A 85 -15.331 23.598 -0.242 1.00 34.14 C ATOM 1249 CD GLU A 85 -15.002 24.539 -1.384 1.00 73.23 C ATOM 1250 OE1 GLU A 85 -13.860 25.041 -1.428 1.00 65.21 O ATOM 1251 OE2 GLU A 85 -15.887 24.773 -2.234 1.00 44.30 O ATOM 0 H GLU A 85 -13.289 19.697 -1.288 1.00 54.50 H new ATOM 0 HA GLU A 85 -13.127 22.500 -1.126 1.00 33.22 H new ATOM 0 HB2 GLU A 85 -15.692 21.968 -1.579 1.00 74.41 H new ATOM 0 HB3 GLU A 85 -15.693 21.521 0.116 1.00 74.41 H new ATOM 0 HG2 GLU A 85 -16.352 23.782 0.092 1.00 34.14 H new ATOM 0 HG3 GLU A 85 -14.675 23.814 0.602 1.00 34.14 H new ATOM 1258 N ILE A 86 -11.883 21.344 0.785 1.00 33.42 N ATOM 1259 CA ILE A 86 -11.249 20.986 2.048 1.00 64.34 C ATOM 1260 C ILE A 86 -10.118 21.951 2.388 1.00 54.22 C ATOM 1261 O ILE A 86 -9.404 22.423 1.503 1.00 10.02 O ATOM 1262 CB ILE A 86 -10.689 19.551 2.010 1.00 53.23 C ATOM 1263 CG1 ILE A 86 -9.995 19.216 3.331 1.00 4.32 C ATOM 1264 CG2 ILE A 86 -9.727 19.389 0.843 1.00 64.21 C ATOM 1265 CD1 ILE A 86 -9.410 17.822 3.370 1.00 61.20 C ATOM 0 H ILE A 86 -11.235 21.648 0.058 1.00 33.42 H new ATOM 0 HA ILE A 86 -12.020 21.047 2.816 1.00 64.34 H new ATOM 0 HB ILE A 86 -11.518 18.857 1.871 1.00 53.23 H new ATOM 0 HG12 ILE A 86 -9.200 19.940 3.508 1.00 4.32 H new ATOM 0 HG13 ILE A 86 -10.711 19.324 4.146 1.00 4.32 H new ATOM 0 HG21 ILE A 86 -9.340 18.370 0.829 1.00 64.21 H new ATOM 0 HG22 ILE A 86 -10.251 19.590 -0.091 1.00 64.21 H new ATOM 0 HG23 ILE A 86 -8.900 20.090 0.953 1.00 64.21 H new ATOM 0 HD11 ILE A 86 -8.934 17.654 4.336 1.00 61.20 H new ATOM 0 HD12 ILE A 86 -10.204 17.090 3.225 1.00 61.20 H new ATOM 0 HD13 ILE A 86 -8.669 17.716 2.577 1.00 61.20 H new ATOM 1277 N ARG A 87 -9.961 22.239 3.676 1.00 53.33 N ATOM 1278 CA ARG A 87 -8.917 23.148 4.133 1.00 12.23 C ATOM 1279 C ARG A 87 -7.806 22.384 4.848 1.00 13.31 C ATOM 1280 O ARG A 87 -8.069 21.442 5.597 1.00 4.33 O ATOM 1281 CB ARG A 87 -9.506 24.206 5.068 1.00 12.22 C ATOM 1282 CG ARG A 87 -9.325 25.630 4.568 1.00 71.14 C ATOM 1283 CD ARG A 87 -7.857 26.025 4.532 1.00 12.41 C ATOM 1284 NE ARG A 87 -7.655 27.417 4.928 1.00 35.53 N ATOM 1285 CZ ARG A 87 -7.744 27.843 6.183 1.00 1.51 C ATOM 1286 NH1 ARG A 87 -8.029 26.991 7.158 1.00 5.53 N ATOM 1287 NH2 ARG A 87 -7.547 29.125 6.465 1.00 41.25 N ATOM 0 H ARG A 87 -10.543 21.856 4.421 1.00 53.33 H new ATOM 0 HA ARG A 87 -8.491 23.641 3.259 1.00 12.23 H new ATOM 0 HB2 ARG A 87 -10.570 24.009 5.201 1.00 12.22 H new ATOM 0 HB3 ARG A 87 -9.039 24.112 6.049 1.00 12.22 H new ATOM 0 HG2 ARG A 87 -9.753 25.723 3.570 1.00 71.14 H new ATOM 0 HG3 ARG A 87 -9.872 26.316 5.215 1.00 71.14 H new ATOM 0 HD2 ARG A 87 -7.290 25.373 5.196 1.00 12.41 H new ATOM 0 HD3 ARG A 87 -7.465 25.874 3.526 1.00 12.41 H new ATOM 0 HE ARG A 87 -7.434 28.098 4.202 1.00 35.53 H new ATOM 0 HH11 ARG A 87 -8.181 26.005 6.946 1.00 5.53 H new ATOM 0 HH12 ARG A 87 -8.097 27.322 8.121 1.00 5.53 H new ATOM 0 HH21 ARG A 87 -7.327 29.784 5.718 1.00 41.25 H new ATOM 0 HH22 ARG A 87 -7.615 29.452 7.429 1.00 41.25 H new ATOM 1301 N LEU A 88 -6.566 22.796 4.611 1.00 23.32 N ATOM 1302 CA LEU A 88 -5.414 22.150 5.232 1.00 40.23 C ATOM 1303 C LEU A 88 -5.089 22.793 6.576 1.00 24.44 C ATOM 1304 O LEU A 88 -4.798 23.987 6.651 1.00 73.15 O ATOM 1305 CB LEU A 88 -4.198 22.233 4.307 1.00 74.23 C ATOM 1306 CG LEU A 88 -3.270 21.018 4.309 1.00 44.22 C ATOM 1307 CD1 LEU A 88 -2.595 20.864 5.663 1.00 15.03 C ATOM 1308 CD2 LEU A 88 -4.040 19.757 3.948 1.00 34.30 C ATOM 0 H LEU A 88 -6.332 23.574 3.994 1.00 23.32 H new ATOM 0 HA LEU A 88 -5.663 21.103 5.402 1.00 40.23 H new ATOM 0 HB2 LEU A 88 -4.551 22.394 3.288 1.00 74.23 H new ATOM 0 HB3 LEU A 88 -3.615 23.111 4.584 1.00 74.23 H new ATOM 0 HG LEU A 88 -2.497 21.175 3.557 1.00 44.22 H new ATOM 0 HD11 LEU A 88 -1.938 19.994 5.645 1.00 15.03 H new ATOM 0 HD12 LEU A 88 -2.009 21.757 5.881 1.00 15.03 H new ATOM 0 HD13 LEU A 88 -3.353 20.731 6.435 1.00 15.03 H new ATOM 0 HD21 LEU A 88 -3.363 18.903 3.955 1.00 34.30 H new ATOM 0 HD22 LEU A 88 -4.835 19.595 4.676 1.00 34.30 H new ATOM 0 HD23 LEU A 88 -4.475 19.868 2.955 1.00 34.30 H new ATOM 1320 N ILE A 89 -5.137 21.992 7.636 1.00 52.12 N ATOM 1321 CA ILE A 89 -4.844 22.482 8.977 1.00 53.21 C ATOM 1322 C ILE A 89 -4.044 21.458 9.774 1.00 33.41 C ATOM 1323 O ILE A 89 -4.370 20.271 9.810 1.00 22.23 O ATOM 1324 CB ILE A 89 -6.135 22.821 9.747 1.00 65.03 C ATOM 1325 CG1 ILE A 89 -6.969 23.837 8.965 1.00 41.44 C ATOM 1326 CG2 ILE A 89 -5.800 23.355 11.131 1.00 13.34 C ATOM 1327 CD1 ILE A 89 -8.278 24.190 9.637 1.00 64.45 C ATOM 0 H ILE A 89 -5.376 21.001 7.592 1.00 52.12 H new ATOM 0 HA ILE A 89 -4.252 23.390 8.859 1.00 53.21 H new ATOM 0 HB ILE A 89 -6.722 21.910 9.863 1.00 65.03 H new ATOM 0 HG12 ILE A 89 -6.384 24.746 8.827 1.00 41.44 H new ATOM 0 HG13 ILE A 89 -7.176 23.438 7.972 1.00 41.44 H new ATOM 0 HG21 ILE A 89 -6.722 23.590 11.663 1.00 13.34 H new ATOM 0 HG22 ILE A 89 -5.242 22.601 11.687 1.00 13.34 H new ATOM 0 HG23 ILE A 89 -5.195 24.257 11.036 1.00 13.34 H new ATOM 0 HD11 ILE A 89 -8.816 24.915 9.027 1.00 64.45 H new ATOM 0 HD12 ILE A 89 -8.883 23.290 9.750 1.00 64.45 H new ATOM 0 HD13 ILE A 89 -8.079 24.619 10.619 1.00 64.45 H new ATOM 1339 N PRO A 90 -2.972 21.925 10.431 1.00 52.03 N ATOM 1340 CA PRO A 90 -2.104 21.066 11.242 1.00 13.30 C ATOM 1341 C PRO A 90 -2.793 20.581 12.513 1.00 52.01 C ATOM 1342 O PRO A 90 -2.724 21.233 13.555 1.00 30.41 O ATOM 1343 CB PRO A 90 -0.925 21.979 11.588 1.00 14.21 C ATOM 1344 CG PRO A 90 -1.481 23.360 11.514 1.00 64.44 C ATOM 1345 CD PRO A 90 -2.525 23.328 10.432 1.00 10.02 C ATOM 0 HA PRO A 90 -1.817 20.159 10.711 1.00 13.30 H new ATOM 0 HB2 PRO A 90 -0.535 21.762 12.582 1.00 14.21 H new ATOM 0 HB3 PRO A 90 -0.102 21.846 10.886 1.00 14.21 H new ATOM 0 HG2 PRO A 90 -1.917 23.657 12.468 1.00 64.44 H new ATOM 0 HG3 PRO A 90 -0.700 24.083 11.281 1.00 64.44 H new ATOM 0 HD2 PRO A 90 -3.347 24.011 10.646 1.00 10.02 H new ATOM 0 HD3 PRO A 90 -2.112 23.619 9.466 1.00 10.02 H new ATOM 1353 N ARG A 91 -3.457 19.433 12.419 1.00 10.54 N ATOM 1354 CA ARG A 91 -4.159 18.862 13.562 1.00 72.30 C ATOM 1355 C ARG A 91 -3.510 17.552 13.999 1.00 31.30 C ATOM 1356 O ARG A 91 -2.796 16.913 13.226 1.00 73.22 O ATOM 1357 CB ARG A 91 -5.630 18.624 13.217 1.00 54.03 C ATOM 1358 CG ARG A 91 -6.580 19.598 13.894 1.00 11.25 C ATOM 1359 CD ARG A 91 -7.499 18.888 14.877 1.00 45.50 C ATOM 1360 NE ARG A 91 -8.338 19.827 15.617 1.00 74.33 N ATOM 1361 CZ ARG A 91 -9.414 19.464 16.306 1.00 33.22 C ATOM 1362 NH1 ARG A 91 -9.779 18.190 16.351 1.00 62.14 N ATOM 1363 NH2 ARG A 91 -10.128 20.376 16.954 1.00 43.33 N ATOM 0 H ARG A 91 -3.523 18.881 11.564 1.00 10.54 H new ATOM 0 HA ARG A 91 -4.096 19.572 14.387 1.00 72.30 H new ATOM 0 HB2 ARG A 91 -5.757 18.697 12.137 1.00 54.03 H new ATOM 0 HB3 ARG A 91 -5.901 17.608 13.502 1.00 54.03 H new ATOM 0 HG2 ARG A 91 -6.006 20.363 14.418 1.00 11.25 H new ATOM 0 HG3 ARG A 91 -7.178 20.109 13.139 1.00 11.25 H new ATOM 0 HD2 ARG A 91 -8.132 18.183 14.338 1.00 45.50 H new ATOM 0 HD3 ARG A 91 -6.900 18.306 15.578 1.00 45.50 H new ATOM 0 HE ARG A 91 -8.084 20.815 15.604 1.00 74.33 H new ATOM 0 HH11 ARG A 91 -9.233 17.485 15.856 1.00 62.14 H new ATOM 0 HH12 ARG A 91 -10.606 17.915 16.881 1.00 62.14 H new ATOM 0 HH21 ARG A 91 -9.851 21.357 16.923 1.00 43.33 H new ATOM 0 HH22 ARG A 91 -10.954 20.096 17.483 1.00 43.33 H new ATOM 1377 N ASP A 92 -3.763 17.159 15.243 1.00 64.45 N ATOM 1378 CA ASP A 92 -3.204 15.925 15.783 1.00 64.33 C ATOM 1379 C ASP A 92 -1.679 15.956 15.744 1.00 41.14 C ATOM 1380 O ASP A 92 -1.030 14.917 15.621 1.00 2.20 O ATOM 1381 CB ASP A 92 -3.721 14.719 14.998 1.00 75.53 C ATOM 1382 CG ASP A 92 -4.258 13.626 15.902 1.00 42.20 C ATOM 1383 OD1 ASP A 92 -5.309 13.846 16.540 1.00 42.40 O ATOM 1384 OD2 ASP A 92 -3.627 12.551 15.971 1.00 71.20 O ATOM 0 H ASP A 92 -4.351 17.677 15.896 1.00 64.45 H new ATOM 0 HA ASP A 92 -3.522 15.836 16.822 1.00 64.33 H new ATOM 0 HB2 ASP A 92 -4.508 15.043 14.317 1.00 75.53 H new ATOM 0 HB3 ASP A 92 -2.915 14.316 14.385 1.00 75.53 H new ATOM 1389 N ARG A 93 -1.114 17.155 15.848 1.00 61.44 N ATOM 1390 CA ARG A 93 0.334 17.321 15.822 1.00 42.42 C ATOM 1391 C ARG A 93 0.741 18.639 16.475 1.00 43.25 C ATOM 1392 O ARG A 93 1.378 18.652 17.528 1.00 22.40 O ATOM 1393 CB ARG A 93 0.849 17.273 14.382 1.00 31.40 C ATOM 1394 CG ARG A 93 2.326 16.930 14.275 1.00 51.44 C ATOM 1395 CD ARG A 93 2.582 15.463 14.581 1.00 15.15 C ATOM 1396 NE ARG A 93 3.359 15.287 15.805 1.00 12.23 N ATOM 1397 CZ ARG A 93 3.605 14.104 16.356 1.00 72.30 C ATOM 1398 NH1 ARG A 93 3.137 12.997 15.794 1.00 3.43 N ATOM 1399 NH2 ARG A 93 4.320 14.025 17.471 1.00 45.04 N ATOM 0 H ARG A 93 -1.637 18.025 15.951 1.00 61.44 H new ATOM 0 HA ARG A 93 0.779 16.502 16.387 1.00 42.42 H new ATOM 0 HB2 ARG A 93 0.272 16.536 13.823 1.00 31.40 H new ATOM 0 HB3 ARG A 93 0.674 18.240 13.910 1.00 31.40 H new ATOM 0 HG2 ARG A 93 2.682 17.161 13.271 1.00 51.44 H new ATOM 0 HG3 ARG A 93 2.896 17.551 14.966 1.00 51.44 H new ATOM 0 HD2 ARG A 93 1.630 14.941 14.678 1.00 15.15 H new ATOM 0 HD3 ARG A 93 3.113 15.006 13.746 1.00 15.15 H new ATOM 0 HE ARG A 93 3.733 16.119 16.262 1.00 12.23 H new ATOM 0 HH11 ARG A 93 2.587 13.053 14.937 1.00 3.43 H new ATOM 0 HH12 ARG A 93 3.327 12.090 16.219 1.00 3.43 H new ATOM 0 HH21 ARG A 93 4.682 14.874 17.906 1.00 45.04 H new ATOM 0 HH22 ARG A 93 4.508 13.116 17.893 1.00 45.04 H new ATOM 1413 N VAL A 94 0.370 19.747 15.841 1.00 12.10 N ATOM 1414 CA VAL A 94 0.695 21.070 16.360 1.00 45.22 C ATOM 1415 C VAL A 94 -0.303 21.503 17.427 1.00 31.15 C ATOM 1416 O VAL A 94 0.064 22.137 18.416 1.00 65.23 O ATOM 1417 CB VAL A 94 0.718 22.124 15.236 1.00 30.34 C ATOM 1418 CG1 VAL A 94 1.112 23.485 15.789 1.00 44.04 C ATOM 1419 CG2 VAL A 94 1.664 21.696 14.124 1.00 34.13 C ATOM 0 H VAL A 94 -0.156 19.754 14.967 1.00 12.10 H new ATOM 0 HA VAL A 94 1.688 21.000 16.803 1.00 45.22 H new ATOM 0 HB VAL A 94 -0.285 22.206 14.817 1.00 30.34 H new ATOM 0 HG11 VAL A 94 1.123 24.217 14.981 1.00 44.04 H new ATOM 0 HG12 VAL A 94 0.392 23.792 16.547 1.00 44.04 H new ATOM 0 HG13 VAL A 94 2.104 23.423 16.236 1.00 44.04 H new ATOM 0 HG21 VAL A 94 1.668 22.452 13.339 1.00 34.13 H new ATOM 0 HG22 VAL A 94 2.671 21.585 14.526 1.00 34.13 H new ATOM 0 HG23 VAL A 94 1.332 20.744 13.710 1.00 34.13 H new ATOM 1429 N GLY A 95 -1.570 21.155 17.221 1.00 2.22 N ATOM 1430 CA GLY A 95 -2.603 21.516 18.175 1.00 63.42 C ATOM 1431 C GLY A 95 -3.234 22.858 17.865 1.00 13.44 C ATOM 1432 O GLY A 95 -3.174 23.782 18.677 1.00 44.02 O ATOM 0 H GLY A 95 -1.899 20.630 16.411 1.00 2.22 H new ATOM 0 HA2 GLY A 95 -3.375 20.747 18.178 1.00 63.42 H new ATOM 0 HA3 GLY A 95 -2.175 21.542 19.177 1.00 63.42 H new TER 1436 GLY A 95