USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 684 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 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0655 USER MOD Set 2.1: A 55 GLN :FLIP amide:sc= -0.573 X(o=-1.4,f=-1.2) USER MOD Set 2.2: A 56 HIS :FLIP no HD1:sc= -0.614 F(o=-1.7,f=-1.2) USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0.0803 USER MOD Set 3.2: A 17 SER OG : rot -121:sc= 1.7 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.082 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= -0.0144 (180deg=-0.126) USER MOD Single : A 4 THR OG1 : rot -70:sc= 0.693 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.024) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -15:sc= 0.436 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0893 USER MOD Single : A 32 SER OG : rot 77:sc= 0.467 USER MOD Single : A 37 ASN : amide:sc= -2.92 K(o=-2.9,f=-9.4!) USER MOD Single : A 41 SER OG : rot -45:sc= 0.0514 USER MOD Single : A 42 SER OG : rot -100:sc= -0.737 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.516 K(o=-0.52,f=-2.2!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -52:sc= 0.823 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 100:sc= -1.11 USER MOD Single : A 77 ASN : amide:sc= -0.921 K(o=-0.92,f=-4.5!) USER MOD Single : A 80 SER OG : rot 91:sc= 0.804 USER MOD Single : A 81 SER OG : rot 67:sc= 1.14 USER MOD Single : A 85 SER OG : rot 180:sc= -1.06 USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= -0.639 (180deg=-0.747) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0718 K(o=-0.072,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.316 -2.238 2.223 1.00 4.14 N ATOM 2 CA GLY A 1 7.134 -1.415 2.397 1.00 52.22 C ATOM 3 C GLY A 1 6.975 -0.389 1.292 1.00 14.25 C ATOM 4 O GLY A 1 7.780 -0.338 0.363 1.00 35.52 O ATOM 0 H1 GLY A 1 8.034 -3.234 2.123 1.00 4.14 H new ATOM 0 H2 GLY A 1 8.827 -1.936 1.369 1.00 4.14 H new ATOM 0 H3 GLY A 1 8.936 -2.135 3.052 1.00 4.14 H new ATOM 0 HA2 GLY A 1 6.251 -2.054 2.426 1.00 52.22 H new ATOM 0 HA3 GLY A 1 7.189 -0.904 3.358 1.00 52.22 H new ATOM 8 N GLU A 2 5.932 0.430 1.393 1.00 3.24 N ATOM 9 CA GLU A 2 5.670 1.458 0.393 1.00 75.00 C ATOM 10 C GLU A 2 5.564 2.835 1.042 1.00 22.12 C ATOM 11 O GLU A 2 5.813 2.991 2.238 1.00 51.21 O ATOM 12 CB GLU A 2 4.381 1.142 -0.369 1.00 61.44 C ATOM 13 CG GLU A 2 4.387 -0.225 -1.033 1.00 73.22 C ATOM 14 CD GLU A 2 3.180 -0.446 -1.925 1.00 1.42 C ATOM 15 OE1 GLU A 2 2.339 0.473 -2.021 1.00 60.44 O ATOM 16 OE2 GLU A 2 3.077 -1.535 -2.525 1.00 73.44 O ATOM 0 H GLU A 2 5.256 0.401 2.156 1.00 3.24 H new ATOM 0 HA GLU A 2 6.505 1.469 -0.307 1.00 75.00 H new ATOM 0 HB2 GLU A 2 3.538 1.198 0.320 1.00 61.44 H new ATOM 0 HB3 GLU A 2 4.222 1.906 -1.130 1.00 61.44 H new ATOM 0 HG2 GLU A 2 5.296 -0.333 -1.625 1.00 73.22 H new ATOM 0 HG3 GLU A 2 4.413 -0.998 -0.265 1.00 73.22 H new ATOM 23 N LYS A 3 5.194 3.832 0.245 1.00 23.42 N ATOM 24 CA LYS A 3 5.055 5.196 0.740 1.00 53.02 C ATOM 25 C LYS A 3 6.353 5.679 1.377 1.00 4.15 C ATOM 26 O LYS A 3 6.339 6.494 2.301 1.00 52.34 O ATOM 27 CB LYS A 3 3.914 5.278 1.756 1.00 33.34 C ATOM 28 CG LYS A 3 2.536 5.344 1.120 1.00 31.25 C ATOM 29 CD LYS A 3 1.952 3.957 0.909 1.00 63.10 C ATOM 30 CE LYS A 3 0.491 4.025 0.492 1.00 61.21 C ATOM 31 NZ LYS A 3 0.293 4.905 -0.693 1.00 13.14 N ATOM 0 H LYS A 3 4.985 3.720 -0.747 1.00 23.42 H new ATOM 0 HA LYS A 3 4.825 5.842 -0.108 1.00 53.02 H new ATOM 0 HB2 LYS A 3 3.960 4.409 2.413 1.00 33.34 H new ATOM 0 HB3 LYS A 3 4.059 6.159 2.382 1.00 33.34 H new ATOM 0 HG2 LYS A 3 1.869 5.928 1.754 1.00 31.25 H new ATOM 0 HG3 LYS A 3 2.600 5.862 0.163 1.00 31.25 H new ATOM 0 HD2 LYS A 3 2.525 3.432 0.145 1.00 63.10 H new ATOM 0 HD3 LYS A 3 2.042 3.379 1.829 1.00 63.10 H new ATOM 0 HE2 LYS A 3 0.131 3.022 0.263 1.00 61.21 H new ATOM 0 HE3 LYS A 3 -0.107 4.396 1.324 1.00 61.21 H new ATOM 0 HZ1 LYS A 3 -0.672 4.782 -1.060 1.00 13.14 H new ATOM 0 HZ2 LYS A 3 0.434 5.897 -0.416 1.00 13.14 H new ATOM 0 HZ3 LYS A 3 0.979 4.651 -1.432 1.00 13.14 H new ATOM 45 N THR A 4 7.477 5.172 0.879 1.00 53.43 N ATOM 46 CA THR A 4 8.784 5.552 1.399 1.00 11.43 C ATOM 47 C THR A 4 9.894 5.179 0.424 1.00 60.22 C ATOM 48 O THR A 4 9.767 4.222 -0.340 1.00 22.41 O ATOM 49 CB THR A 4 9.063 4.883 2.758 1.00 5.23 C ATOM 50 OG1 THR A 4 8.357 3.641 2.847 1.00 31.13 O ATOM 51 CG2 THR A 4 8.648 5.792 3.905 1.00 54.31 C ATOM 0 H THR A 4 7.508 4.497 0.115 1.00 53.43 H new ATOM 0 HA THR A 4 8.770 6.634 1.531 1.00 11.43 H new ATOM 0 HB THR A 4 10.134 4.697 2.833 1.00 5.23 H new ATOM 0 HG1 THR A 4 7.395 3.816 2.919 1.00 31.13 H new ATOM 0 HG21 THR A 4 8.855 5.298 4.854 1.00 54.31 H new ATOM 0 HG22 THR A 4 9.210 6.725 3.852 1.00 54.31 H new ATOM 0 HG23 THR A 4 7.582 6.006 3.832 1.00 54.31 H new ATOM 59 N VAL A 5 10.983 5.940 0.454 1.00 4.04 N ATOM 60 CA VAL A 5 12.118 5.687 -0.426 1.00 55.53 C ATOM 61 C VAL A 5 13.150 4.793 0.250 1.00 4.33 C ATOM 62 O VAL A 5 13.414 4.924 1.446 1.00 54.21 O ATOM 63 CB VAL A 5 12.796 7.001 -0.858 1.00 60.04 C ATOM 64 CG1 VAL A 5 13.110 7.864 0.354 1.00 23.22 C ATOM 65 CG2 VAL A 5 14.057 6.711 -1.658 1.00 23.21 C ATOM 0 H VAL A 5 11.104 6.737 1.079 1.00 4.04 H new ATOM 0 HA VAL A 5 11.727 5.181 -1.309 1.00 55.53 H new ATOM 0 HB VAL A 5 12.106 7.553 -1.497 1.00 60.04 H new ATOM 0 HG11 VAL A 5 13.589 8.788 0.029 1.00 23.22 H new ATOM 0 HG12 VAL A 5 12.186 8.100 0.882 1.00 23.22 H new ATOM 0 HG13 VAL A 5 13.781 7.323 1.022 1.00 23.22 H new ATOM 0 HG21 VAL A 5 14.523 7.650 -1.955 1.00 23.21 H new ATOM 0 HG22 VAL A 5 14.753 6.138 -1.045 1.00 23.21 H new ATOM 0 HG23 VAL A 5 13.799 6.136 -2.548 1.00 23.21 H new ATOM 75 N LYS A 6 13.734 3.884 -0.522 1.00 62.34 N ATOM 76 CA LYS A 6 14.741 2.967 0.000 1.00 12.43 C ATOM 77 C LYS A 6 16.125 3.314 -0.540 1.00 33.24 C ATOM 78 O LYS A 6 16.431 3.054 -1.704 1.00 52.42 O ATOM 79 CB LYS A 6 14.386 1.524 -0.365 1.00 54.44 C ATOM 80 CG LYS A 6 13.895 0.701 0.813 1.00 4.33 C ATOM 81 CD LYS A 6 13.934 -0.787 0.509 1.00 55.25 C ATOM 82 CE LYS A 6 12.558 -1.421 0.652 1.00 3.52 C ATOM 83 NZ LYS A 6 12.356 -2.005 2.007 1.00 72.12 N ATOM 0 H LYS A 6 13.527 3.762 -1.513 1.00 62.34 H new ATOM 0 HA LYS A 6 14.758 3.066 1.085 1.00 12.43 H new ATOM 0 HB2 LYS A 6 13.617 1.532 -1.137 1.00 54.44 H new ATOM 0 HB3 LYS A 6 15.263 1.041 -0.794 1.00 54.44 H new ATOM 0 HG2 LYS A 6 14.512 0.911 1.687 1.00 4.33 H new ATOM 0 HG3 LYS A 6 12.876 0.995 1.064 1.00 4.33 H new ATOM 0 HD2 LYS A 6 14.304 -0.943 -0.504 1.00 55.25 H new ATOM 0 HD3 LYS A 6 14.635 -1.279 1.184 1.00 55.25 H new ATOM 0 HE2 LYS A 6 11.791 -0.671 0.462 1.00 3.52 H new ATOM 0 HE3 LYS A 6 12.437 -2.200 -0.101 1.00 3.52 H new ATOM 0 HZ1 LYS A 6 11.407 -2.427 2.065 1.00 72.12 H new ATOM 0 HZ2 LYS A 6 13.073 -2.739 2.179 1.00 72.12 H new ATOM 0 HZ3 LYS A 6 12.447 -1.257 2.724 1.00 72.12 H new ATOM 97 N LEU A 7 16.958 3.899 0.313 1.00 12.54 N ATOM 98 CA LEU A 7 18.311 4.280 -0.078 1.00 13.12 C ATOM 99 C LEU A 7 19.248 3.078 -0.036 1.00 62.41 C ATOM 100 O LEU A 7 19.304 2.356 0.960 1.00 63.53 O ATOM 101 CB LEU A 7 18.837 5.384 0.841 1.00 21.34 C ATOM 102 CG LEU A 7 18.568 6.819 0.389 1.00 51.21 C ATOM 103 CD1 LEU A 7 17.074 7.100 0.366 1.00 55.34 C ATOM 104 CD2 LEU A 7 19.284 7.808 1.297 1.00 23.13 C ATOM 0 H LEU A 7 16.721 4.120 1.280 1.00 12.54 H new ATOM 0 HA LEU A 7 18.276 4.654 -1.101 1.00 13.12 H new ATOM 0 HB2 LEU A 7 18.397 5.247 1.829 1.00 21.34 H new ATOM 0 HB3 LEU A 7 19.914 5.255 0.951 1.00 21.34 H new ATOM 0 HG LEU A 7 18.956 6.939 -0.623 1.00 51.21 H new ATOM 0 HD11 LEU A 7 16.902 8.126 0.042 1.00 55.34 H new ATOM 0 HD12 LEU A 7 16.585 6.414 -0.326 1.00 55.34 H new ATOM 0 HD13 LEU A 7 16.662 6.961 1.366 1.00 55.34 H new ATOM 0 HD21 LEU A 7 19.081 8.824 0.960 1.00 23.13 H new ATOM 0 HD22 LEU A 7 18.927 7.687 2.320 1.00 23.13 H new ATOM 0 HD23 LEU A 7 20.357 7.622 1.263 1.00 23.13 H new ATOM 116 N TYR A 8 19.984 2.870 -1.122 1.00 71.23 N ATOM 117 CA TYR A 8 20.919 1.755 -1.210 1.00 63.21 C ATOM 118 C TYR A 8 22.356 2.256 -1.318 1.00 2.23 C ATOM 119 O TYR A 8 22.657 3.142 -2.117 1.00 21.00 O ATOM 120 CB TYR A 8 20.583 0.874 -2.414 1.00 63.54 C ATOM 121 CG TYR A 8 19.995 -0.468 -2.038 1.00 44.31 C ATOM 122 CD1 TYR A 8 20.776 -1.444 -1.431 1.00 75.54 C ATOM 123 CD2 TYR A 8 18.660 -0.759 -2.290 1.00 4.42 C ATOM 124 CE1 TYR A 8 20.243 -2.672 -1.086 1.00 50.44 C ATOM 125 CE2 TYR A 8 18.119 -1.982 -1.947 1.00 20.31 C ATOM 126 CZ TYR A 8 18.914 -2.936 -1.346 1.00 2.53 C ATOM 127 OH TYR A 8 18.379 -4.156 -1.004 1.00 21.31 O ATOM 0 H TYR A 8 19.951 3.459 -1.954 1.00 71.23 H new ATOM 0 HA TYR A 8 20.827 1.164 -0.299 1.00 63.21 H new ATOM 0 HB2 TYR A 8 19.878 1.403 -3.055 1.00 63.54 H new ATOM 0 HB3 TYR A 8 21.488 0.713 -3.000 1.00 63.54 H new ATOM 0 HD1 TYR A 8 21.816 -1.240 -1.225 1.00 75.54 H new ATOM 0 HD2 TYR A 8 18.035 -0.016 -2.762 1.00 4.42 H new ATOM 0 HE1 TYR A 8 20.863 -3.420 -0.616 1.00 50.44 H new ATOM 0 HE2 TYR A 8 17.079 -2.191 -2.148 1.00 20.31 H new ATOM 0 HH TYR A 8 17.432 -4.179 -1.254 1.00 21.31 H new ATOM 137 N GLU A 9 23.239 1.682 -0.507 1.00 31.44 N ATOM 138 CA GLU A 9 24.644 2.070 -0.510 1.00 64.01 C ATOM 139 C GLU A 9 25.385 1.421 -1.676 1.00 2.21 C ATOM 140 O GLU A 9 26.320 1.999 -2.230 1.00 5.33 O ATOM 141 CB GLU A 9 25.308 1.678 0.812 1.00 41.13 C ATOM 142 CG GLU A 9 25.579 0.188 0.938 1.00 4.54 C ATOM 143 CD GLU A 9 25.476 -0.304 2.369 1.00 45.30 C ATOM 144 OE1 GLU A 9 24.356 -0.292 2.921 1.00 40.44 O ATOM 145 OE2 GLU A 9 26.515 -0.700 2.937 1.00 64.43 O ATOM 0 H GLU A 9 23.006 0.947 0.160 1.00 31.44 H new ATOM 0 HA GLU A 9 24.695 3.153 -0.626 1.00 64.01 H new ATOM 0 HB2 GLU A 9 26.249 2.220 0.911 1.00 41.13 H new ATOM 0 HB3 GLU A 9 24.670 1.994 1.637 1.00 41.13 H new ATOM 0 HG2 GLU A 9 24.870 -0.360 0.317 1.00 4.54 H new ATOM 0 HG3 GLU A 9 26.575 -0.030 0.553 1.00 4.54 H new ATOM 152 N ASP A 10 24.960 0.217 -2.042 1.00 64.01 N ATOM 153 CA ASP A 10 25.582 -0.511 -3.142 1.00 22.31 C ATOM 154 C ASP A 10 24.759 -0.374 -4.419 1.00 1.31 C ATOM 155 O ASP A 10 23.529 -0.330 -4.377 1.00 1.45 O ATOM 156 CB ASP A 10 25.740 -1.989 -2.779 1.00 1.42 C ATOM 157 CG ASP A 10 27.184 -2.448 -2.836 1.00 52.13 C ATOM 158 OD1 ASP A 10 28.036 -1.808 -2.186 1.00 11.31 O ATOM 159 OD2 ASP A 10 27.462 -3.447 -3.532 1.00 73.14 O ATOM 0 H ASP A 10 24.188 -0.276 -1.593 1.00 64.01 H new ATOM 0 HA ASP A 10 26.568 -0.080 -3.318 1.00 22.31 H new ATOM 0 HB2 ASP A 10 25.347 -2.158 -1.776 1.00 1.42 H new ATOM 0 HB3 ASP A 10 25.142 -2.594 -3.461 1.00 1.42 H new ATOM 164 N THR A 11 25.446 -0.305 -5.555 1.00 71.22 N ATOM 165 CA THR A 11 24.779 -0.170 -6.844 1.00 62.22 C ATOM 166 C THR A 11 23.899 -1.380 -7.137 1.00 41.23 C ATOM 167 O THR A 11 24.049 -2.434 -6.518 1.00 52.23 O ATOM 168 CB THR A 11 25.797 -0.001 -7.988 1.00 51.10 C ATOM 169 OG1 THR A 11 26.442 -1.250 -8.259 1.00 21.33 O ATOM 170 CG2 THR A 11 26.840 1.048 -7.633 1.00 61.03 C ATOM 0 H THR A 11 26.464 -0.340 -5.608 1.00 71.22 H new ATOM 0 HA THR A 11 24.157 0.723 -6.786 1.00 62.22 H new ATOM 0 HB THR A 11 25.260 0.330 -8.877 1.00 51.10 H new ATOM 0 HG1 THR A 11 27.086 -1.134 -8.988 1.00 21.33 H new ATOM 0 HG21 THR A 11 27.548 1.150 -8.455 1.00 61.03 H new ATOM 0 HG22 THR A 11 26.348 2.005 -7.457 1.00 61.03 H new ATOM 0 HG23 THR A 11 27.372 0.742 -6.732 1.00 61.03 H new ATOM 178 N HIS A 12 22.981 -1.222 -8.085 1.00 52.14 N ATOM 179 CA HIS A 12 22.077 -2.303 -8.462 1.00 13.14 C ATOM 180 C HIS A 12 21.178 -2.691 -7.292 1.00 31.54 C ATOM 181 O HIS A 12 20.676 -3.814 -7.227 1.00 41.10 O ATOM 182 CB HIS A 12 22.872 -3.520 -8.935 1.00 50.11 C ATOM 183 CG HIS A 12 22.145 -4.355 -9.944 1.00 2.02 C ATOM 184 ND1 HIS A 12 22.712 -5.448 -10.565 1.00 31.03 N ATOM 185 CD2 HIS A 12 20.889 -4.253 -10.438 1.00 1.13 C ATOM 186 CE1 HIS A 12 21.837 -5.981 -11.398 1.00 75.12 C ATOM 187 NE2 HIS A 12 20.722 -5.275 -11.340 1.00 11.23 N ATOM 0 H HIS A 12 22.843 -0.356 -8.606 1.00 52.14 H new ATOM 0 HA HIS A 12 21.448 -1.950 -9.279 1.00 13.14 H new ATOM 0 HB2 HIS A 12 23.815 -3.183 -9.366 1.00 50.11 H new ATOM 0 HB3 HIS A 12 23.119 -4.140 -8.073 1.00 50.11 H new ATOM 0 HD2 HIS A 12 20.155 -3.507 -10.172 1.00 1.13 H new ATOM 0 HE1 HIS A 12 22.004 -6.847 -12.021 1.00 75.12 H new ATOM 0 HE2 HIS A 12 19.875 -5.459 -11.878 1.00 11.23 H new ATOM 195 N PHE A 13 20.980 -1.757 -6.368 1.00 53.41 N ATOM 196 CA PHE A 13 20.143 -2.002 -5.199 1.00 50.13 C ATOM 197 C PHE A 13 20.573 -3.277 -4.480 1.00 64.02 C ATOM 198 O PHE A 13 19.756 -4.156 -4.207 1.00 72.11 O ATOM 199 CB PHE A 13 18.673 -2.106 -5.611 1.00 30.42 C ATOM 200 CG PHE A 13 18.224 -0.997 -6.518 1.00 1.30 C ATOM 201 CD1 PHE A 13 18.165 0.310 -6.060 1.00 24.42 C ATOM 202 CD2 PHE A 13 17.860 -1.260 -7.829 1.00 2.02 C ATOM 203 CE1 PHE A 13 17.753 1.333 -6.892 1.00 41.31 C ATOM 204 CE2 PHE A 13 17.448 -0.240 -8.666 1.00 34.53 C ATOM 205 CZ PHE A 13 17.393 1.058 -8.196 1.00 73.55 C ATOM 0 H PHE A 13 21.388 -0.823 -6.406 1.00 53.41 H new ATOM 0 HA PHE A 13 20.263 -1.162 -4.515 1.00 50.13 H new ATOM 0 HB2 PHE A 13 18.511 -3.061 -6.111 1.00 30.42 H new ATOM 0 HB3 PHE A 13 18.052 -2.106 -4.715 1.00 30.42 H new ATOM 0 HD1 PHE A 13 18.444 0.531 -5.041 1.00 24.42 H new ATOM 0 HD2 PHE A 13 17.899 -2.273 -8.201 1.00 2.02 H new ATOM 0 HE1 PHE A 13 17.713 2.347 -6.523 1.00 41.31 H new ATOM 0 HE2 PHE A 13 17.169 -0.458 -9.686 1.00 34.53 H new ATOM 0 HZ PHE A 13 17.069 1.856 -8.848 1.00 73.55 H new ATOM 215 N LYS A 14 21.864 -3.371 -4.177 1.00 35.05 N ATOM 216 CA LYS A 14 22.405 -4.537 -3.489 1.00 2.03 C ATOM 217 C LYS A 14 22.924 -4.160 -2.105 1.00 4.11 C ATOM 218 O LYS A 14 23.193 -2.991 -1.829 1.00 61.43 O ATOM 219 CB LYS A 14 23.531 -5.164 -4.314 1.00 60.20 C ATOM 220 CG LYS A 14 23.360 -6.656 -4.542 1.00 33.13 C ATOM 221 CD LYS A 14 22.558 -6.940 -5.801 1.00 15.43 C ATOM 222 CE LYS A 14 21.234 -7.617 -5.478 1.00 3.41 C ATOM 223 NZ LYS A 14 21.284 -9.083 -5.735 1.00 1.40 N ATOM 0 H LYS A 14 22.555 -2.653 -4.397 1.00 35.05 H new ATOM 0 HA LYS A 14 21.601 -5.264 -3.371 1.00 2.03 H new ATOM 0 HB2 LYS A 14 23.586 -4.661 -5.280 1.00 60.20 H new ATOM 0 HB3 LYS A 14 24.481 -4.989 -3.809 1.00 60.20 H new ATOM 0 HG2 LYS A 14 24.340 -7.128 -4.620 1.00 33.13 H new ATOM 0 HG3 LYS A 14 22.859 -7.101 -3.682 1.00 33.13 H new ATOM 0 HD2 LYS A 14 22.371 -6.007 -6.332 1.00 15.43 H new ATOM 0 HD3 LYS A 14 23.140 -7.576 -6.468 1.00 15.43 H new ATOM 0 HE2 LYS A 14 20.981 -7.440 -4.433 1.00 3.41 H new ATOM 0 HE3 LYS A 14 20.441 -7.170 -6.078 1.00 3.41 H new ATOM 0 HZ1 LYS A 14 20.363 -9.508 -5.503 1.00 1.40 H new ATOM 0 HZ2 LYS A 14 21.500 -9.252 -6.738 1.00 1.40 H new ATOM 0 HZ3 LYS A 14 22.023 -9.514 -5.144 1.00 1.40 H new ATOM 237 N GLY A 15 23.065 -5.158 -1.238 1.00 35.22 N ATOM 238 CA GLY A 15 23.553 -4.910 0.106 1.00 35.42 C ATOM 239 C GLY A 15 22.434 -4.604 1.082 1.00 73.10 C ATOM 240 O GLY A 15 21.531 -5.418 1.278 1.00 62.31 O ATOM 0 H GLY A 15 22.850 -6.134 -1.442 1.00 35.22 H new ATOM 0 HA2 GLY A 15 24.107 -5.782 0.455 1.00 35.42 H new ATOM 0 HA3 GLY A 15 24.253 -4.074 0.087 1.00 35.42 H new ATOM 244 N TYR A 16 22.493 -3.428 1.697 1.00 73.12 N ATOM 245 CA TYR A 16 21.479 -3.018 2.661 1.00 73.01 C ATOM 246 C TYR A 16 20.720 -1.791 2.165 1.00 42.30 C ATOM 247 O TYR A 16 21.249 -0.990 1.394 1.00 73.13 O ATOM 248 CB TYR A 16 22.124 -2.720 4.015 1.00 13.24 C ATOM 249 CG TYR A 16 21.196 -2.937 5.189 1.00 15.21 C ATOM 250 CD1 TYR A 16 20.914 -4.217 5.650 1.00 64.21 C ATOM 251 CD2 TYR A 16 20.599 -1.862 5.836 1.00 31.15 C ATOM 252 CE1 TYR A 16 20.066 -4.421 6.721 1.00 4.44 C ATOM 253 CE2 TYR A 16 19.751 -2.056 6.910 1.00 51.14 C ATOM 254 CZ TYR A 16 19.488 -3.337 7.348 1.00 14.21 C ATOM 255 OH TYR A 16 18.642 -3.534 8.416 1.00 62.11 O ATOM 0 H TYR A 16 23.232 -2.742 1.545 1.00 73.12 H new ATOM 0 HA TYR A 16 20.771 -3.838 2.776 1.00 73.01 H new ATOM 0 HB2 TYR A 16 23.003 -3.353 4.136 1.00 13.24 H new ATOM 0 HB3 TYR A 16 22.471 -1.687 4.023 1.00 13.24 H new ATOM 0 HD1 TYR A 16 21.366 -5.068 5.162 1.00 64.21 H new ATOM 0 HD2 TYR A 16 20.801 -0.858 5.494 1.00 31.15 H new ATOM 0 HE1 TYR A 16 19.857 -5.423 7.065 1.00 4.44 H new ATOM 0 HE2 TYR A 16 19.297 -1.209 7.403 1.00 51.14 H new ATOM 0 HH TYR A 16 18.321 -2.668 8.743 1.00 62.11 H new ATOM 265 N SER A 17 19.477 -1.650 2.615 1.00 43.34 N ATOM 266 CA SER A 17 18.643 -0.522 2.215 1.00 22.31 C ATOM 267 C SER A 17 17.964 0.107 3.427 1.00 13.24 C ATOM 268 O SER A 17 17.558 -0.590 4.358 1.00 52.34 O ATOM 269 CB SER A 17 17.589 -0.974 1.203 1.00 71.03 C ATOM 270 OG SER A 17 17.520 -2.388 1.135 1.00 14.21 O ATOM 0 H SER A 17 19.025 -2.302 3.256 1.00 43.34 H new ATOM 0 HA SER A 17 19.285 0.227 1.750 1.00 22.31 H new ATOM 0 HB2 SER A 17 16.615 -0.572 1.484 1.00 71.03 H new ATOM 0 HB3 SER A 17 17.829 -0.571 0.219 1.00 71.03 H new ATOM 0 HG SER A 17 17.713 -2.681 0.220 1.00 14.21 H new ATOM 276 N VAL A 18 17.843 1.431 3.410 1.00 63.15 N ATOM 277 CA VAL A 18 17.212 2.156 4.506 1.00 43.12 C ATOM 278 C VAL A 18 15.980 2.914 4.026 1.00 74.11 C ATOM 279 O VAL A 18 16.003 3.555 2.976 1.00 62.53 O ATOM 280 CB VAL A 18 18.191 3.151 5.158 1.00 62.52 C ATOM 281 CG1 VAL A 18 18.506 4.293 4.204 1.00 22.12 C ATOM 282 CG2 VAL A 18 17.621 3.679 6.466 1.00 63.43 C ATOM 0 H VAL A 18 18.174 2.023 2.648 1.00 63.15 H new ATOM 0 HA VAL A 18 16.913 1.413 5.246 1.00 43.12 H new ATOM 0 HB VAL A 18 19.121 2.627 5.379 1.00 62.52 H new ATOM 0 HG11 VAL A 18 19.199 4.986 4.682 1.00 22.12 H new ATOM 0 HG12 VAL A 18 18.959 3.894 3.296 1.00 22.12 H new ATOM 0 HG13 VAL A 18 17.586 4.819 3.949 1.00 22.12 H new ATOM 0 HG21 VAL A 18 18.325 4.380 6.913 1.00 63.43 H new ATOM 0 HG22 VAL A 18 16.676 4.187 6.272 1.00 63.43 H new ATOM 0 HG23 VAL A 18 17.452 2.848 7.151 1.00 63.43 H new ATOM 292 N GLU A 19 14.904 2.836 4.803 1.00 10.03 N ATOM 293 CA GLU A 19 13.661 3.515 4.456 1.00 10.05 C ATOM 294 C GLU A 19 13.399 4.685 5.400 1.00 13.31 C ATOM 295 O GLU A 19 13.714 4.622 6.589 1.00 32.52 O ATOM 296 CB GLU A 19 12.488 2.534 4.504 1.00 14.23 C ATOM 297 CG GLU A 19 12.244 1.944 5.883 1.00 72.42 C ATOM 298 CD GLU A 19 13.118 0.737 6.164 1.00 62.15 C ATOM 299 OE1 GLU A 19 12.805 -0.356 5.648 1.00 62.25 O ATOM 300 OE2 GLU A 19 14.116 0.887 6.899 1.00 21.45 O ATOM 0 H GLU A 19 14.868 2.310 5.676 1.00 10.03 H new ATOM 0 HA GLU A 19 13.759 3.903 3.442 1.00 10.05 H new ATOM 0 HB2 GLU A 19 11.584 3.045 4.172 1.00 14.23 H new ATOM 0 HB3 GLU A 19 12.674 1.724 3.799 1.00 14.23 H new ATOM 0 HG2 GLU A 19 12.431 2.707 6.639 1.00 72.42 H new ATOM 0 HG3 GLU A 19 11.196 1.658 5.971 1.00 72.42 H new ATOM 307 N LEU A 20 12.821 5.753 4.862 1.00 54.31 N ATOM 308 CA LEU A 20 12.516 6.939 5.655 1.00 53.44 C ATOM 309 C LEU A 20 11.248 7.620 5.150 1.00 54.51 C ATOM 310 O LEU A 20 11.043 7.793 3.948 1.00 13.53 O ATOM 311 CB LEU A 20 13.688 7.921 5.611 1.00 53.42 C ATOM 312 CG LEU A 20 14.619 7.801 4.404 1.00 3.31 C ATOM 313 CD1 LEU A 20 15.159 9.167 4.009 1.00 62.24 C ATOM 314 CD2 LEU A 20 15.761 6.841 4.705 1.00 12.12 C ATOM 0 H LEU A 20 12.554 5.822 3.880 1.00 54.31 H new ATOM 0 HA LEU A 20 12.352 6.625 6.686 1.00 53.44 H new ATOM 0 HB2 LEU A 20 13.288 8.935 5.637 1.00 53.42 H new ATOM 0 HB3 LEU A 20 14.281 7.789 6.516 1.00 53.42 H new ATOM 0 HG LEU A 20 14.047 7.403 3.566 1.00 3.31 H new ATOM 0 HD11 LEU A 20 15.820 9.062 3.148 1.00 62.24 H new ATOM 0 HD12 LEU A 20 14.330 9.826 3.752 1.00 62.24 H new ATOM 0 HD13 LEU A 20 15.715 9.594 4.844 1.00 62.24 H new ATOM 0 HD21 LEU A 20 16.414 6.768 3.835 1.00 12.12 H new ATOM 0 HD22 LEU A 20 16.332 7.210 5.557 1.00 12.12 H new ATOM 0 HD23 LEU A 20 15.356 5.856 4.939 1.00 12.12 H new ATOM 326 N PRO A 21 10.376 8.019 6.088 1.00 20.13 N ATOM 327 CA PRO A 21 9.114 8.690 5.763 1.00 42.23 C ATOM 328 C PRO A 21 9.330 10.101 5.225 1.00 71.32 C ATOM 329 O PRO A 21 10.445 10.622 5.251 1.00 12.21 O ATOM 330 CB PRO A 21 8.380 8.736 7.105 1.00 3.42 C ATOM 331 CG PRO A 21 9.461 8.691 8.130 1.00 61.15 C ATOM 332 CD PRO A 21 10.555 7.845 7.540 1.00 45.25 C ATOM 0 HA PRO A 21 8.565 8.168 4.980 1.00 42.23 H new ATOM 0 HB2 PRO A 21 7.783 9.643 7.199 1.00 3.42 H new ATOM 0 HB3 PRO A 21 7.698 7.893 7.212 1.00 3.42 H new ATOM 0 HG2 PRO A 21 9.823 9.693 8.360 1.00 61.15 H new ATOM 0 HG3 PRO A 21 9.096 8.262 9.063 1.00 61.15 H new ATOM 0 HD2 PRO A 21 11.540 8.178 7.866 1.00 45.25 H new ATOM 0 HD3 PRO A 21 10.458 6.800 7.834 1.00 45.25 H new ATOM 340 N VAL A 22 8.256 10.714 4.737 1.00 20.04 N ATOM 341 CA VAL A 22 8.328 12.065 4.195 1.00 52.25 C ATOM 342 C VAL A 22 9.129 12.983 5.110 1.00 4.52 C ATOM 343 O VAL A 22 9.120 12.824 6.330 1.00 72.41 O ATOM 344 CB VAL A 22 6.923 12.663 3.989 1.00 61.34 C ATOM 345 CG1 VAL A 22 6.176 12.740 5.312 1.00 45.35 C ATOM 346 CG2 VAL A 22 7.018 14.035 3.339 1.00 3.14 C ATOM 0 H VAL A 22 7.326 10.296 4.706 1.00 20.04 H new ATOM 0 HA VAL A 22 8.829 11.992 3.230 1.00 52.25 H new ATOM 0 HB VAL A 22 6.363 12.009 3.321 1.00 61.34 H new ATOM 0 HG11 VAL A 22 5.186 13.165 5.147 1.00 45.35 H new ATOM 0 HG12 VAL A 22 6.076 11.739 5.732 1.00 45.35 H new ATOM 0 HG13 VAL A 22 6.730 13.371 6.007 1.00 45.35 H new ATOM 0 HG21 VAL A 22 6.016 14.442 3.201 1.00 3.14 H new ATOM 0 HG22 VAL A 22 7.596 14.702 3.979 1.00 3.14 H new ATOM 0 HG23 VAL A 22 7.510 13.945 2.370 1.00 3.14 H new ATOM 356 N GLY A 23 9.823 13.947 4.512 1.00 5.45 N ATOM 357 CA GLY A 23 10.621 14.878 5.289 1.00 2.04 C ATOM 358 C GLY A 23 12.022 15.044 4.735 1.00 41.11 C ATOM 359 O GLY A 23 12.435 14.305 3.841 1.00 21.23 O ATOM 0 H GLY A 23 9.847 14.100 3.504 1.00 5.45 H new ATOM 0 HA2 GLY A 23 10.124 15.848 5.309 1.00 2.04 H new ATOM 0 HA3 GLY A 23 10.680 14.529 6.320 1.00 2.04 H new ATOM 363 N ASP A 24 12.754 16.018 5.264 1.00 24.12 N ATOM 364 CA ASP A 24 14.117 16.280 4.816 1.00 23.42 C ATOM 365 C ASP A 24 15.130 15.822 5.861 1.00 21.31 C ATOM 366 O ASP A 24 14.864 15.873 7.062 1.00 22.32 O ATOM 367 CB ASP A 24 14.304 17.769 4.525 1.00 2.53 C ATOM 368 CG ASP A 24 15.662 18.076 3.924 1.00 55.13 C ATOM 369 OD1 ASP A 24 16.667 18.002 4.660 1.00 31.14 O ATOM 370 OD2 ASP A 24 15.718 18.391 2.716 1.00 4.24 O ATOM 0 H ASP A 24 12.427 16.639 6.004 1.00 24.12 H new ATOM 0 HA ASP A 24 14.287 15.715 3.899 1.00 23.42 H new ATOM 0 HB2 ASP A 24 13.524 18.103 3.841 1.00 2.53 H new ATOM 0 HB3 ASP A 24 14.183 18.335 5.449 1.00 2.53 H new ATOM 375 N TYR A 25 16.291 15.374 5.396 1.00 71.12 N ATOM 376 CA TYR A 25 17.342 14.903 6.290 1.00 43.52 C ATOM 377 C TYR A 25 18.682 15.545 5.941 1.00 53.14 C ATOM 378 O TYR A 25 18.987 15.774 4.771 1.00 74.00 O ATOM 379 CB TYR A 25 17.459 13.380 6.216 1.00 4.14 C ATOM 380 CG TYR A 25 16.137 12.663 6.371 1.00 42.11 C ATOM 381 CD1 TYR A 25 15.164 12.739 5.382 1.00 11.10 C ATOM 382 CD2 TYR A 25 15.861 11.911 7.506 1.00 73.44 C ATOM 383 CE1 TYR A 25 13.954 12.086 5.519 1.00 41.31 C ATOM 384 CE2 TYR A 25 14.654 11.253 7.650 1.00 3.33 C ATOM 385 CZ TYR A 25 13.704 11.344 6.654 1.00 2.35 C ATOM 386 OH TYR A 25 12.501 10.692 6.796 1.00 53.24 O ATOM 0 H TYR A 25 16.528 15.327 4.405 1.00 71.12 H new ATOM 0 HA TYR A 25 17.075 15.191 7.307 1.00 43.52 H new ATOM 0 HB2 TYR A 25 17.902 13.104 5.259 1.00 4.14 H new ATOM 0 HB3 TYR A 25 18.142 13.038 6.994 1.00 4.14 H new ATOM 0 HD1 TYR A 25 15.357 13.318 4.491 1.00 11.10 H new ATOM 0 HD2 TYR A 25 16.602 11.839 8.289 1.00 73.44 H new ATOM 0 HE1 TYR A 25 13.208 12.156 4.741 1.00 41.31 H new ATOM 0 HE2 TYR A 25 14.456 10.671 8.538 1.00 3.33 H new ATOM 0 HH TYR A 25 11.860 11.042 6.142 1.00 53.24 H new ATOM 396 N ASN A 26 19.478 15.832 6.965 1.00 11.14 N ATOM 397 CA ASN A 26 20.785 16.447 6.768 1.00 5.34 C ATOM 398 C ASN A 26 21.895 15.403 6.845 1.00 41.01 C ATOM 399 O ASN A 26 21.639 14.227 7.109 1.00 42.42 O ATOM 400 CB ASN A 26 21.022 17.537 7.816 1.00 44.22 C ATOM 401 CG ASN A 26 19.980 18.637 7.752 1.00 60.20 C ATOM 402 OD1 ASN A 26 18.918 18.538 8.367 1.00 24.53 O ATOM 403 ND2 ASN A 26 20.279 19.693 7.005 1.00 64.15 N ATOM 0 H ASN A 26 19.241 15.649 7.940 1.00 11.14 H new ATOM 0 HA ASN A 26 20.801 16.896 5.775 1.00 5.34 H new ATOM 0 HB2 ASN A 26 21.013 17.090 8.810 1.00 44.22 H new ATOM 0 HB3 ASN A 26 22.012 17.969 7.669 1.00 44.22 H new ATOM 0 HD21 ASN A 26 19.616 20.464 6.924 1.00 64.15 H new ATOM 0 HD22 ASN A 26 21.171 19.733 6.512 1.00 64.15 H new ATOM 410 N LEU A 27 23.128 15.840 6.613 1.00 31.01 N ATOM 411 CA LEU A 27 24.278 14.944 6.656 1.00 21.42 C ATOM 412 C LEU A 27 24.301 14.149 7.958 1.00 12.21 C ATOM 413 O LEU A 27 24.530 12.940 7.955 1.00 25.21 O ATOM 414 CB LEU A 27 25.576 15.740 6.509 1.00 71.24 C ATOM 415 CG LEU A 27 26.855 15.025 6.945 1.00 22.11 C ATOM 416 CD1 LEU A 27 27.999 15.353 5.998 1.00 23.43 C ATOM 417 CD2 LEU A 27 27.217 15.404 8.374 1.00 43.34 C ATOM 0 H LEU A 27 23.357 16.809 6.393 1.00 31.01 H new ATOM 0 HA LEU A 27 24.192 14.244 5.825 1.00 21.42 H new ATOM 0 HB2 LEU A 27 25.684 16.030 5.464 1.00 71.24 H new ATOM 0 HB3 LEU A 27 25.482 16.659 7.087 1.00 71.24 H new ATOM 0 HG LEU A 27 26.678 13.950 6.909 1.00 22.11 H new ATOM 0 HD11 LEU A 27 28.901 14.835 6.324 1.00 23.43 H new ATOM 0 HD12 LEU A 27 27.740 15.031 4.989 1.00 23.43 H new ATOM 0 HD13 LEU A 27 28.177 16.428 6.001 1.00 23.43 H new ATOM 0 HD21 LEU A 27 28.130 14.886 8.668 1.00 43.34 H new ATOM 0 HD22 LEU A 27 27.375 16.481 8.436 1.00 43.34 H new ATOM 0 HD23 LEU A 27 26.406 15.117 9.043 1.00 43.34 H new ATOM 429 N SER A 28 24.059 14.837 9.069 1.00 12.14 N ATOM 430 CA SER A 28 24.053 14.196 10.379 1.00 10.12 C ATOM 431 C SER A 28 22.861 13.254 10.518 1.00 54.41 C ATOM 432 O SER A 28 22.937 12.235 11.203 1.00 21.05 O ATOM 433 CB SER A 28 24.016 15.251 11.487 1.00 53.04 C ATOM 434 OG SER A 28 22.685 15.508 11.901 1.00 2.41 O ATOM 0 H SER A 28 23.865 15.838 9.088 1.00 12.14 H new ATOM 0 HA SER A 28 24.968 13.612 10.474 1.00 10.12 H new ATOM 0 HB2 SER A 28 24.606 14.910 12.338 1.00 53.04 H new ATOM 0 HB3 SER A 28 24.474 16.174 11.131 1.00 53.04 H new ATOM 0 HG SER A 28 22.688 16.184 12.611 1.00 2.41 H new ATOM 440 N SER A 29 21.759 13.604 9.862 1.00 51.24 N ATOM 441 CA SER A 29 20.548 12.793 9.914 1.00 40.41 C ATOM 442 C SER A 29 20.722 11.505 9.116 1.00 63.22 C ATOM 443 O SER A 29 20.114 10.480 9.428 1.00 4.03 O ATOM 444 CB SER A 29 19.355 13.584 9.373 1.00 45.41 C ATOM 445 OG SER A 29 18.137 12.906 9.624 1.00 21.41 O ATOM 0 H SER A 29 21.680 14.444 9.288 1.00 51.24 H new ATOM 0 HA SER A 29 20.360 12.532 10.955 1.00 40.41 H new ATOM 0 HB2 SER A 29 19.328 14.570 9.837 1.00 45.41 H new ATOM 0 HB3 SER A 29 19.474 13.739 8.301 1.00 45.41 H new ATOM 0 HG SER A 29 17.390 13.433 9.270 1.00 21.41 H new ATOM 451 N LEU A 30 21.557 11.564 8.084 1.00 55.02 N ATOM 452 CA LEU A 30 21.812 10.402 7.239 1.00 4.41 C ATOM 453 C LEU A 30 22.377 9.247 8.059 1.00 20.20 C ATOM 454 O LEU A 30 21.920 8.109 7.943 1.00 14.35 O ATOM 455 CB LEU A 30 22.784 10.768 6.116 1.00 51.24 C ATOM 456 CG LEU A 30 22.154 11.320 4.837 1.00 53.44 C ATOM 457 CD1 LEU A 30 23.154 12.177 4.076 1.00 54.04 C ATOM 458 CD2 LEU A 30 21.645 10.186 3.960 1.00 73.52 C ATOM 0 H LEU A 30 22.069 12.403 7.812 1.00 55.02 H new ATOM 0 HA LEU A 30 20.865 10.085 6.803 1.00 4.41 H new ATOM 0 HB2 LEU A 30 23.488 11.507 6.499 1.00 51.24 H new ATOM 0 HB3 LEU A 30 23.362 9.880 5.859 1.00 51.24 H new ATOM 0 HG LEU A 30 21.306 11.946 5.114 1.00 53.44 H new ATOM 0 HD11 LEU A 30 22.688 12.561 3.169 1.00 54.04 H new ATOM 0 HD12 LEU A 30 23.470 13.011 4.703 1.00 54.04 H new ATOM 0 HD13 LEU A 30 24.022 11.574 3.810 1.00 54.04 H new ATOM 0 HD21 LEU A 30 21.200 10.598 3.054 1.00 73.52 H new ATOM 0 HD22 LEU A 30 22.475 9.533 3.692 1.00 73.52 H new ATOM 0 HD23 LEU A 30 20.894 9.613 4.505 1.00 73.52 H new ATOM 470 N ILE A 31 23.371 9.547 8.888 1.00 63.42 N ATOM 471 CA ILE A 31 23.996 8.533 9.729 1.00 14.23 C ATOM 472 C ILE A 31 23.092 8.157 10.899 1.00 41.12 C ATOM 473 O ILE A 31 23.164 7.044 11.419 1.00 71.32 O ATOM 474 CB ILE A 31 25.352 9.014 10.277 1.00 2.23 C ATOM 475 CG1 ILE A 31 26.331 9.265 9.128 1.00 11.33 C ATOM 476 CG2 ILE A 31 25.921 7.994 11.252 1.00 45.11 C ATOM 477 CD1 ILE A 31 26.197 10.639 8.510 1.00 51.31 C ATOM 0 H ILE A 31 23.761 10.483 8.995 1.00 63.42 H new ATOM 0 HA ILE A 31 24.158 7.657 9.101 1.00 14.23 H new ATOM 0 HB ILE A 31 25.200 9.952 10.811 1.00 2.23 H new ATOM 0 HG12 ILE A 31 27.350 9.138 9.495 1.00 11.33 H new ATOM 0 HG13 ILE A 31 26.174 8.511 8.356 1.00 11.33 H new ATOM 0 HG21 ILE A 31 26.880 8.348 11.631 1.00 45.11 H new ATOM 0 HG22 ILE A 31 25.229 7.860 12.084 1.00 45.11 H new ATOM 0 HG23 ILE A 31 26.062 7.042 10.741 1.00 45.11 H new ATOM 0 HD11 ILE A 31 26.921 10.747 7.703 1.00 51.31 H new ATOM 0 HD12 ILE A 31 25.190 10.763 8.113 1.00 51.31 H new ATOM 0 HD13 ILE A 31 26.383 11.399 9.269 1.00 51.31 H new ATOM 489 N SER A 32 22.241 9.093 11.306 1.00 34.25 N ATOM 490 CA SER A 32 21.323 8.861 12.416 1.00 25.51 C ATOM 491 C SER A 32 20.422 7.663 12.134 1.00 31.51 C ATOM 492 O SER A 32 20.058 6.918 13.044 1.00 22.43 O ATOM 493 CB SER A 32 20.472 10.106 12.671 1.00 73.44 C ATOM 494 OG SER A 32 21.211 11.097 13.363 1.00 61.41 O ATOM 0 H SER A 32 22.168 10.019 10.884 1.00 34.25 H new ATOM 0 HA SER A 32 21.915 8.647 13.306 1.00 25.51 H new ATOM 0 HB2 SER A 32 20.118 10.509 11.722 1.00 73.44 H new ATOM 0 HB3 SER A 32 19.590 9.835 13.251 1.00 73.44 H new ATOM 0 HG SER A 32 21.823 11.543 12.741 1.00 61.41 H new ATOM 500 N ARG A 33 20.065 7.484 10.866 1.00 10.14 N ATOM 501 CA ARG A 33 19.205 6.378 10.463 1.00 30.03 C ATOM 502 C ARG A 33 20.036 5.172 10.033 1.00 54.51 C ATOM 503 O ARG A 33 19.529 4.254 9.390 1.00 13.02 O ATOM 504 CB ARG A 33 18.284 6.810 9.321 1.00 50.32 C ATOM 505 CG ARG A 33 16.807 6.745 9.672 1.00 75.24 C ATOM 506 CD ARG A 33 16.219 8.133 9.870 1.00 0.24 C ATOM 507 NE ARG A 33 15.055 8.114 10.753 1.00 63.04 N ATOM 508 CZ ARG A 33 15.127 7.885 12.059 1.00 4.52 C ATOM 509 NH1 ARG A 33 16.301 7.659 12.632 1.00 23.51 N ATOM 510 NH2 ARG A 33 14.024 7.884 12.796 1.00 55.34 N ATOM 0 H ARG A 33 20.358 8.091 10.100 1.00 10.14 H new ATOM 0 HA ARG A 33 18.598 6.091 11.321 1.00 30.03 H new ATOM 0 HB2 ARG A 33 18.535 7.830 9.029 1.00 50.32 H new ATOM 0 HB3 ARG A 33 18.471 6.175 8.455 1.00 50.32 H new ATOM 0 HG2 ARG A 33 16.266 6.229 8.879 1.00 75.24 H new ATOM 0 HG3 ARG A 33 16.674 6.159 10.581 1.00 75.24 H new ATOM 0 HD2 ARG A 33 16.980 8.793 10.287 1.00 0.24 H new ATOM 0 HD3 ARG A 33 15.934 8.547 8.903 1.00 0.24 H new ATOM 0 HE ARG A 33 14.137 8.286 10.344 1.00 63.04 H new ATOM 0 HH11 ARG A 33 17.152 7.661 12.069 1.00 23.51 H new ATOM 0 HH12 ARG A 33 16.353 7.483 13.635 1.00 23.51 H new ATOM 0 HH21 ARG A 33 13.119 8.059 12.360 1.00 55.34 H new ATOM 0 HH22 ARG A 33 14.081 7.708 13.799 1.00 55.34 H new ATOM 524 N GLY A 34 21.316 5.184 10.392 1.00 72.51 N ATOM 525 CA GLY A 34 22.196 4.087 10.034 1.00 61.21 C ATOM 526 C GLY A 34 22.526 4.068 8.555 1.00 65.44 C ATOM 527 O GLY A 34 22.510 3.012 7.922 1.00 50.42 O ATOM 0 H GLY A 34 21.759 5.933 10.924 1.00 72.51 H new ATOM 0 HA2 GLY A 34 23.119 4.164 10.608 1.00 61.21 H new ATOM 0 HA3 GLY A 34 21.726 3.143 10.310 1.00 61.21 H new ATOM 531 N ALA A 35 22.826 5.238 8.002 1.00 52.44 N ATOM 532 CA ALA A 35 23.162 5.352 6.588 1.00 75.23 C ATOM 533 C ALA A 35 24.485 6.084 6.395 1.00 64.32 C ATOM 534 O ALA A 35 25.106 6.530 7.360 1.00 1.34 O ATOM 535 CB ALA A 35 22.047 6.065 5.836 1.00 4.43 C ATOM 0 H ALA A 35 22.843 6.121 8.512 1.00 52.44 H new ATOM 0 HA ALA A 35 23.272 4.346 6.184 1.00 75.23 H new ATOM 0 HB1 ALA A 35 22.311 6.143 4.781 1.00 4.43 H new ATOM 0 HB2 ALA A 35 21.121 5.500 5.937 1.00 4.43 H new ATOM 0 HB3 ALA A 35 21.909 7.064 6.250 1.00 4.43 H new ATOM 541 N LEU A 36 24.913 6.203 5.143 1.00 61.32 N ATOM 542 CA LEU A 36 26.165 6.880 4.823 1.00 12.30 C ATOM 543 C LEU A 36 25.911 8.117 3.966 1.00 23.34 C ATOM 544 O LEU A 36 25.185 8.059 2.975 1.00 21.41 O ATOM 545 CB LEU A 36 27.112 5.926 4.094 1.00 44.21 C ATOM 546 CG LEU A 36 26.451 4.792 3.310 1.00 52.54 C ATOM 547 CD1 LEU A 36 25.695 5.343 2.111 1.00 52.25 C ATOM 548 CD2 LEU A 36 27.490 3.774 2.865 1.00 25.02 C ATOM 0 H LEU A 36 24.411 5.839 4.333 1.00 61.32 H new ATOM 0 HA LEU A 36 26.628 7.197 5.758 1.00 12.30 H new ATOM 0 HB2 LEU A 36 27.723 6.509 3.405 1.00 44.21 H new ATOM 0 HB3 LEU A 36 27.789 5.487 4.827 1.00 44.21 H new ATOM 0 HG LEU A 36 25.738 4.291 3.965 1.00 52.54 H new ATOM 0 HD11 LEU A 36 25.231 4.522 1.565 1.00 52.25 H new ATOM 0 HD12 LEU A 36 24.924 6.033 2.453 1.00 52.25 H new ATOM 0 HD13 LEU A 36 26.388 5.870 1.455 1.00 52.25 H new ATOM 0 HD21 LEU A 36 27.001 2.974 2.309 1.00 25.02 H new ATOM 0 HD22 LEU A 36 28.227 4.262 2.227 1.00 25.02 H new ATOM 0 HD23 LEU A 36 27.987 3.355 3.740 1.00 25.02 H new ATOM 560 N ASN A 37 26.517 9.234 4.355 1.00 10.02 N ATOM 561 CA ASN A 37 26.358 10.484 3.622 1.00 41.54 C ATOM 562 C ASN A 37 26.986 10.385 2.235 1.00 43.22 C ATOM 563 O ASN A 37 26.284 10.256 1.232 1.00 61.11 O ATOM 564 CB ASN A 37 26.991 11.640 4.399 1.00 5.02 C ATOM 565 CG ASN A 37 26.900 12.957 3.654 1.00 51.44 C ATOM 566 OD1 ASN A 37 25.938 13.709 3.815 1.00 62.04 O ATOM 567 ND2 ASN A 37 27.903 13.243 2.832 1.00 63.01 N ATOM 0 H ASN A 37 27.122 9.299 5.173 1.00 10.02 H new ATOM 0 HA ASN A 37 25.291 10.674 3.506 1.00 41.54 H new ATOM 0 HB2 ASN A 37 26.497 11.738 5.366 1.00 5.02 H new ATOM 0 HB3 ASN A 37 28.038 11.410 4.598 1.00 5.02 H new ATOM 0 HD21 ASN A 37 27.896 14.115 2.303 1.00 63.01 H new ATOM 0 HD22 ASN A 37 28.680 12.590 2.729 1.00 63.01 H new ATOM 574 N ASP A 38 28.312 10.446 2.187 1.00 64.05 N ATOM 575 CA ASP A 38 29.036 10.361 0.923 1.00 2.23 C ATOM 576 C ASP A 38 29.454 8.923 0.632 1.00 4.41 C ATOM 577 O ASP A 38 30.577 8.519 0.936 1.00 50.32 O ATOM 578 CB ASP A 38 30.268 11.267 0.955 1.00 0.30 C ATOM 579 CG ASP A 38 31.079 11.097 2.225 1.00 41.55 C ATOM 580 OD1 ASP A 38 30.703 11.697 3.253 1.00 40.30 O ATOM 581 OD2 ASP A 38 32.091 10.365 2.189 1.00 14.53 O ATOM 0 H ASP A 38 28.908 10.554 3.008 1.00 64.05 H new ATOM 0 HA ASP A 38 28.370 10.695 0.127 1.00 2.23 H new ATOM 0 HB2 ASP A 38 30.898 11.049 0.093 1.00 0.30 H new ATOM 0 HB3 ASP A 38 29.953 12.307 0.865 1.00 0.30 H new ATOM 586 N ASP A 39 28.544 8.156 0.043 1.00 62.11 N ATOM 587 CA ASP A 39 28.818 6.763 -0.289 1.00 63.45 C ATOM 588 C ASP A 39 27.656 6.150 -1.065 1.00 11.14 C ATOM 589 O ASP A 39 27.857 5.329 -1.960 1.00 62.32 O ATOM 590 CB ASP A 39 29.081 5.955 0.982 1.00 23.14 C ATOM 591 CG ASP A 39 29.546 4.543 0.686 1.00 64.24 C ATOM 592 OD1 ASP A 39 28.827 3.820 -0.035 1.00 73.21 O ATOM 593 OD2 ASP A 39 30.631 4.161 1.173 1.00 34.13 O ATOM 0 H ASP A 39 27.610 8.475 -0.214 1.00 62.11 H new ATOM 0 HA ASP A 39 29.707 6.734 -0.919 1.00 63.45 H new ATOM 0 HB2 ASP A 39 29.835 6.464 1.583 1.00 23.14 H new ATOM 0 HB3 ASP A 39 28.170 5.916 1.579 1.00 23.14 H new ATOM 598 N LEU A 40 26.440 6.554 -0.714 1.00 72.12 N ATOM 599 CA LEU A 40 25.244 6.044 -1.376 1.00 40.12 C ATOM 600 C LEU A 40 25.382 6.133 -2.893 1.00 35.12 C ATOM 601 O LEU A 40 25.790 7.162 -3.430 1.00 2.32 O ATOM 602 CB LEU A 40 24.011 6.825 -0.918 1.00 2.21 C ATOM 603 CG LEU A 40 23.001 6.049 -0.072 1.00 40.12 C ATOM 604 CD1 LEU A 40 22.723 6.780 1.232 1.00 1.30 C ATOM 605 CD2 LEU A 40 21.711 5.831 -0.849 1.00 52.20 C ATOM 0 H LEU A 40 26.256 7.233 0.025 1.00 72.12 H new ATOM 0 HA LEU A 40 25.125 4.996 -1.101 1.00 40.12 H new ATOM 0 HB2 LEU A 40 24.346 7.690 -0.346 1.00 2.21 H new ATOM 0 HB3 LEU A 40 23.498 7.206 -1.801 1.00 2.21 H new ATOM 0 HG LEU A 40 23.428 5.075 0.166 1.00 40.12 H new ATOM 0 HD11 LEU A 40 22.002 6.213 1.821 1.00 1.30 H new ATOM 0 HD12 LEU A 40 23.650 6.884 1.796 1.00 1.30 H new ATOM 0 HD13 LEU A 40 22.317 7.768 1.016 1.00 1.30 H new ATOM 0 HD21 LEU A 40 21.004 5.277 -0.232 1.00 52.20 H new ATOM 0 HD22 LEU A 40 21.281 6.796 -1.118 1.00 52.20 H new ATOM 0 HD23 LEU A 40 21.923 5.264 -1.755 1.00 52.20 H new ATOM 617 N SER A 41 25.035 5.048 -3.578 1.00 24.43 N ATOM 618 CA SER A 41 25.122 5.002 -5.033 1.00 13.23 C ATOM 619 C SER A 41 23.856 4.399 -5.633 1.00 72.43 C ATOM 620 O SER A 41 23.772 4.180 -6.842 1.00 0.02 O ATOM 621 CB SER A 41 26.343 4.190 -5.467 1.00 43.22 C ATOM 622 OG SER A 41 26.741 4.533 -6.783 1.00 64.54 O ATOM 0 H SER A 41 24.691 4.189 -3.149 1.00 24.43 H new ATOM 0 HA SER A 41 25.226 6.023 -5.399 1.00 13.23 H new ATOM 0 HB2 SER A 41 27.167 4.369 -4.776 1.00 43.22 H new ATOM 0 HB3 SER A 41 26.112 3.126 -5.419 1.00 43.22 H new ATOM 0 HG SER A 41 25.952 4.580 -7.362 1.00 64.54 H new ATOM 628 N SER A 42 22.873 4.131 -4.780 1.00 15.33 N ATOM 629 CA SER A 42 21.612 3.549 -5.224 1.00 54.21 C ATOM 630 C SER A 42 20.455 4.027 -4.351 1.00 23.53 C ATOM 631 O SER A 42 20.660 4.490 -3.229 1.00 43.35 O ATOM 632 CB SER A 42 21.692 2.022 -5.194 1.00 32.22 C ATOM 633 OG SER A 42 22.029 1.503 -6.469 1.00 1.42 O ATOM 0 H SER A 42 22.925 4.308 -3.777 1.00 15.33 H new ATOM 0 HA SER A 42 21.430 3.876 -6.248 1.00 54.21 H new ATOM 0 HB2 SER A 42 22.436 1.708 -4.462 1.00 32.22 H new ATOM 0 HB3 SER A 42 20.735 1.611 -4.872 1.00 32.22 H new ATOM 0 HG SER A 42 21.218 1.182 -6.916 1.00 1.42 H new ATOM 639 N ALA A 43 19.239 3.909 -4.874 1.00 22.12 N ATOM 640 CA ALA A 43 18.049 4.326 -4.142 1.00 64.14 C ATOM 641 C ALA A 43 16.785 4.055 -4.951 1.00 30.35 C ATOM 642 O ALA A 43 16.542 4.695 -5.973 1.00 75.15 O ATOM 643 CB ALA A 43 18.141 5.801 -3.782 1.00 44.31 C ATOM 0 H ALA A 43 19.052 3.528 -5.802 1.00 22.12 H new ATOM 0 HA ALA A 43 17.994 3.742 -3.223 1.00 64.14 H new ATOM 0 HB1 ALA A 43 17.246 6.099 -3.236 1.00 44.31 H new ATOM 0 HB2 ALA A 43 19.019 5.969 -3.159 1.00 44.31 H new ATOM 0 HB3 ALA A 43 18.224 6.393 -4.693 1.00 44.31 H new ATOM 649 N ARG A 44 15.984 3.102 -4.485 1.00 61.43 N ATOM 650 CA ARG A 44 14.745 2.745 -5.166 1.00 65.45 C ATOM 651 C ARG A 44 13.543 3.386 -4.480 1.00 41.21 C ATOM 652 O ARG A 44 13.480 3.457 -3.253 1.00 4.13 O ATOM 653 CB ARG A 44 14.576 1.225 -5.199 1.00 63.53 C ATOM 654 CG ARG A 44 13.330 0.766 -5.939 1.00 10.23 C ATOM 655 CD ARG A 44 12.320 0.137 -4.992 1.00 23.33 C ATOM 656 NE ARG A 44 11.469 -0.838 -5.668 1.00 64.53 N ATOM 657 CZ ARG A 44 11.861 -2.071 -5.971 1.00 63.02 C ATOM 658 NH1 ARG A 44 13.084 -2.477 -5.659 1.00 2.03 N ATOM 659 NH2 ARG A 44 11.029 -2.901 -6.587 1.00 40.45 N ATOM 0 H ARG A 44 16.171 2.564 -3.639 1.00 61.43 H new ATOM 0 HA ARG A 44 14.801 3.120 -6.188 1.00 65.45 H new ATOM 0 HB2 ARG A 44 15.453 0.781 -5.671 1.00 63.53 H new ATOM 0 HB3 ARG A 44 14.540 0.850 -4.176 1.00 63.53 H new ATOM 0 HG2 ARG A 44 12.874 1.615 -6.447 1.00 10.23 H new ATOM 0 HG3 ARG A 44 13.607 0.045 -6.708 1.00 10.23 H new ATOM 0 HD2 ARG A 44 12.847 -0.349 -4.171 1.00 23.33 H new ATOM 0 HD3 ARG A 44 11.699 0.918 -4.554 1.00 23.33 H new ATOM 0 HE ARG A 44 10.522 -0.557 -5.922 1.00 64.53 H new ATOM 0 HH11 ARG A 44 13.727 -1.842 -5.185 1.00 2.03 H new ATOM 0 HH12 ARG A 44 13.382 -3.424 -5.893 1.00 2.03 H new ATOM 0 HH21 ARG A 44 10.087 -2.593 -6.829 1.00 40.45 H new ATOM 0 HH22 ARG A 44 11.331 -3.847 -6.819 1.00 40.45 H new ATOM 673 N VAL A 45 12.590 3.853 -5.281 1.00 64.01 N ATOM 674 CA VAL A 45 11.390 4.488 -4.751 1.00 53.24 C ATOM 675 C VAL A 45 10.132 3.887 -5.369 1.00 0.03 C ATOM 676 O VAL A 45 10.108 3.501 -6.537 1.00 72.25 O ATOM 677 CB VAL A 45 11.399 6.007 -5.008 1.00 34.02 C ATOM 678 CG1 VAL A 45 12.691 6.627 -4.499 1.00 62.14 C ATOM 679 CG2 VAL A 45 11.204 6.298 -6.488 1.00 43.12 C ATOM 0 H VAL A 45 12.626 3.803 -6.299 1.00 64.01 H new ATOM 0 HA VAL A 45 11.385 4.309 -3.676 1.00 53.24 H new ATOM 0 HB VAL A 45 10.570 6.456 -4.461 1.00 34.02 H new ATOM 0 HG11 VAL A 45 12.679 7.700 -4.689 1.00 62.14 H new ATOM 0 HG12 VAL A 45 12.782 6.449 -3.427 1.00 62.14 H new ATOM 0 HG13 VAL A 45 13.539 6.176 -5.015 1.00 62.14 H new ATOM 0 HG21 VAL A 45 11.213 7.376 -6.651 1.00 43.12 H new ATOM 0 HG22 VAL A 45 12.011 5.838 -7.059 1.00 43.12 H new ATOM 0 HG23 VAL A 45 10.248 5.889 -6.816 1.00 43.12 H new ATOM 689 N PRO A 46 9.060 3.805 -4.567 1.00 2.45 N ATOM 690 CA PRO A 46 7.778 3.253 -5.013 1.00 33.03 C ATOM 691 C PRO A 46 7.077 4.157 -6.021 1.00 35.11 C ATOM 692 O PRO A 46 7.576 5.229 -6.360 1.00 44.42 O ATOM 693 CB PRO A 46 6.963 3.160 -3.720 1.00 53.04 C ATOM 694 CG PRO A 46 7.553 4.194 -2.825 1.00 40.00 C ATOM 695 CD PRO A 46 9.017 4.247 -3.162 1.00 65.43 C ATOM 0 HA PRO A 46 7.901 2.299 -5.525 1.00 33.03 H new ATOM 0 HB2 PRO A 46 5.906 3.352 -3.904 1.00 53.04 H new ATOM 0 HB3 PRO A 46 7.034 2.166 -3.278 1.00 53.04 H new ATOM 0 HG2 PRO A 46 7.081 5.163 -2.984 1.00 40.00 H new ATOM 0 HG3 PRO A 46 7.403 3.935 -1.777 1.00 40.00 H new ATOM 0 HD2 PRO A 46 9.420 5.253 -3.045 1.00 65.43 H new ATOM 0 HD3 PRO A 46 9.602 3.592 -2.517 1.00 65.43 H new ATOM 703 N SER A 47 5.916 3.717 -6.496 1.00 53.10 N ATOM 704 CA SER A 47 5.147 4.485 -7.468 1.00 42.54 C ATOM 705 C SER A 47 4.375 5.609 -6.784 1.00 55.23 C ATOM 706 O SER A 47 3.460 5.361 -6.000 1.00 23.25 O ATOM 707 CB SER A 47 4.180 3.571 -8.223 1.00 14.45 C ATOM 708 OG SER A 47 4.881 2.615 -8.997 1.00 62.54 O ATOM 0 H SER A 47 5.487 2.833 -6.223 1.00 53.10 H new ATOM 0 HA SER A 47 5.845 4.928 -8.178 1.00 42.54 H new ATOM 0 HB2 SER A 47 3.528 3.061 -7.514 1.00 14.45 H new ATOM 0 HB3 SER A 47 3.540 4.170 -8.871 1.00 14.45 H new ATOM 0 HG SER A 47 4.240 2.042 -9.468 1.00 62.54 H new ATOM 714 N GLY A 48 4.750 6.848 -7.089 1.00 31.11 N ATOM 715 CA GLY A 48 4.083 7.992 -6.496 1.00 0.15 C ATOM 716 C GLY A 48 4.881 8.605 -5.362 1.00 21.33 C ATOM 717 O GLY A 48 4.315 9.041 -4.359 1.00 12.13 O ATOM 0 H GLY A 48 5.504 7.079 -7.736 1.00 31.11 H new ATOM 0 HA2 GLY A 48 3.910 8.746 -7.264 1.00 0.15 H new ATOM 0 HA3 GLY A 48 3.105 7.686 -6.124 1.00 0.15 H new ATOM 721 N LEU A 49 6.200 8.636 -5.519 1.00 11.55 N ATOM 722 CA LEU A 49 7.078 9.199 -4.499 1.00 23.25 C ATOM 723 C LEU A 49 8.105 10.139 -5.122 1.00 54.31 C ATOM 724 O LEU A 49 8.734 9.809 -6.127 1.00 60.31 O ATOM 725 CB LEU A 49 7.791 8.079 -3.738 1.00 43.40 C ATOM 726 CG LEU A 49 8.415 8.470 -2.398 1.00 4.21 C ATOM 727 CD1 LEU A 49 8.681 7.234 -1.552 1.00 43.43 C ATOM 728 CD2 LEU A 49 9.700 9.256 -2.617 1.00 23.43 C ATOM 0 H LEU A 49 6.685 8.278 -6.342 1.00 11.55 H new ATOM 0 HA LEU A 49 6.465 9.771 -3.803 1.00 23.25 H new ATOM 0 HB2 LEU A 49 7.077 7.274 -3.563 1.00 43.40 H new ATOM 0 HB3 LEU A 49 8.576 7.675 -4.377 1.00 43.40 H new ATOM 0 HG LEU A 49 7.710 9.106 -1.863 1.00 4.21 H new ATOM 0 HD11 LEU A 49 9.125 7.532 -0.602 1.00 43.43 H new ATOM 0 HD12 LEU A 49 7.743 6.712 -1.366 1.00 43.43 H new ATOM 0 HD13 LEU A 49 9.366 6.572 -2.081 1.00 43.43 H new ATOM 0 HD21 LEU A 49 10.130 9.526 -1.653 1.00 23.43 H new ATOM 0 HD22 LEU A 49 10.410 8.644 -3.173 1.00 23.43 H new ATOM 0 HD23 LEU A 49 9.481 10.162 -3.183 1.00 23.43 H new ATOM 740 N ARG A 50 8.269 11.311 -4.518 1.00 3.52 N ATOM 741 CA ARG A 50 9.220 12.299 -5.013 1.00 41.42 C ATOM 742 C ARG A 50 10.305 12.577 -3.977 1.00 2.10 C ATOM 743 O ARG A 50 10.045 12.571 -2.773 1.00 22.20 O ATOM 744 CB ARG A 50 8.497 13.599 -5.371 1.00 43.33 C ATOM 745 CG ARG A 50 9.376 14.604 -6.098 1.00 52.32 C ATOM 746 CD ARG A 50 8.548 15.560 -6.943 1.00 34.12 C ATOM 747 NE ARG A 50 9.343 16.677 -7.445 1.00 64.42 N ATOM 748 CZ ARG A 50 8.861 17.621 -8.245 1.00 44.31 C ATOM 749 NH1 ARG A 50 7.593 17.585 -8.631 1.00 25.50 N ATOM 750 NH2 ARG A 50 9.648 18.606 -8.660 1.00 62.23 N ATOM 0 H ARG A 50 7.756 11.600 -3.685 1.00 3.52 H new ATOM 0 HA ARG A 50 9.692 11.895 -5.908 1.00 41.42 H new ATOM 0 HB2 ARG A 50 7.634 13.365 -5.995 1.00 43.33 H new ATOM 0 HB3 ARG A 50 8.116 14.056 -4.458 1.00 43.33 H new ATOM 0 HG2 ARG A 50 9.960 15.170 -5.372 1.00 52.32 H new ATOM 0 HG3 ARG A 50 10.085 14.075 -6.735 1.00 52.32 H new ATOM 0 HD2 ARG A 50 8.114 15.018 -7.783 1.00 34.12 H new ATOM 0 HD3 ARG A 50 7.719 15.944 -6.349 1.00 34.12 H new ATOM 0 HE ARG A 50 10.322 16.735 -7.166 1.00 64.42 H new ATOM 0 HH11 ARG A 50 6.984 16.831 -8.313 1.00 25.50 H new ATOM 0 HH12 ARG A 50 7.226 18.312 -9.246 1.00 25.50 H new ATOM 0 HH21 ARG A 50 10.624 18.638 -8.364 1.00 62.23 H new ATOM 0 HH22 ARG A 50 9.277 19.331 -9.274 1.00 62.23 H new ATOM 764 N LEU A 51 11.522 12.820 -4.452 1.00 74.34 N ATOM 765 CA LEU A 51 12.647 13.099 -3.568 1.00 3.35 C ATOM 766 C LEU A 51 13.631 14.062 -4.225 1.00 15.41 C ATOM 767 O LEU A 51 13.696 14.157 -5.450 1.00 61.40 O ATOM 768 CB LEU A 51 13.362 11.800 -3.193 1.00 31.31 C ATOM 769 CG LEU A 51 13.547 10.786 -4.323 1.00 23.05 C ATOM 770 CD1 LEU A 51 14.854 10.027 -4.149 1.00 75.33 C ATOM 771 CD2 LEU A 51 12.371 9.822 -4.373 1.00 13.24 C ATOM 0 H LEU A 51 11.754 12.829 -5.445 1.00 74.34 H new ATOM 0 HA LEU A 51 12.258 13.567 -2.664 1.00 3.35 H new ATOM 0 HB2 LEU A 51 14.344 12.052 -2.793 1.00 31.31 H new ATOM 0 HB3 LEU A 51 12.804 11.320 -2.389 1.00 31.31 H new ATOM 0 HG LEU A 51 13.587 11.327 -5.268 1.00 23.05 H new ATOM 0 HD11 LEU A 51 14.969 9.310 -4.962 1.00 75.33 H new ATOM 0 HD12 LEU A 51 15.687 10.729 -4.164 1.00 75.33 H new ATOM 0 HD13 LEU A 51 14.843 9.497 -3.196 1.00 75.33 H new ATOM 0 HD21 LEU A 51 12.520 9.108 -5.183 1.00 13.24 H new ATOM 0 HD22 LEU A 51 12.299 9.287 -3.426 1.00 13.24 H new ATOM 0 HD23 LEU A 51 11.451 10.380 -4.546 1.00 13.24 H new ATOM 783 N GLU A 52 14.394 14.774 -3.402 1.00 23.14 N ATOM 784 CA GLU A 52 15.375 15.729 -3.904 1.00 62.42 C ATOM 785 C GLU A 52 16.711 15.566 -3.184 1.00 50.14 C ATOM 786 O GLU A 52 16.783 15.654 -1.959 1.00 1.04 O ATOM 787 CB GLU A 52 14.862 17.160 -3.732 1.00 74.43 C ATOM 788 CG GLU A 52 13.565 17.434 -4.475 1.00 51.23 C ATOM 789 CD GLU A 52 13.161 18.895 -4.423 1.00 73.21 C ATOM 790 OE1 GLU A 52 13.434 19.549 -3.395 1.00 33.23 O ATOM 791 OE2 GLU A 52 12.572 19.384 -5.410 1.00 34.55 O ATOM 0 H GLU A 52 14.352 14.708 -2.385 1.00 23.14 H new ATOM 0 HA GLU A 52 15.527 15.531 -4.965 1.00 62.42 H new ATOM 0 HB2 GLU A 52 14.712 17.358 -2.671 1.00 74.43 H new ATOM 0 HB3 GLU A 52 15.625 17.855 -4.081 1.00 74.43 H new ATOM 0 HG2 GLU A 52 13.675 17.128 -5.515 1.00 51.23 H new ATOM 0 HG3 GLU A 52 12.769 16.825 -4.046 1.00 51.23 H new ATOM 798 N VAL A 53 17.767 15.328 -3.956 1.00 20.33 N ATOM 799 CA VAL A 53 19.101 15.153 -3.393 1.00 52.12 C ATOM 800 C VAL A 53 19.829 16.488 -3.281 1.00 33.15 C ATOM 801 O VAL A 53 19.748 17.329 -4.176 1.00 32.00 O ATOM 802 CB VAL A 53 19.948 14.189 -4.245 1.00 54.44 C ATOM 803 CG1 VAL A 53 21.284 13.916 -3.573 1.00 64.21 C ATOM 804 CG2 VAL A 53 19.191 12.893 -4.493 1.00 41.14 C ATOM 0 H VAL A 53 17.725 15.252 -4.972 1.00 20.33 H new ATOM 0 HA VAL A 53 18.971 14.728 -2.398 1.00 52.12 H new ATOM 0 HB VAL A 53 20.143 14.659 -5.209 1.00 54.44 H new ATOM 0 HG11 VAL A 53 21.869 13.233 -4.189 1.00 64.21 H new ATOM 0 HG12 VAL A 53 21.829 14.852 -3.452 1.00 64.21 H new ATOM 0 HG13 VAL A 53 21.114 13.466 -2.595 1.00 64.21 H new ATOM 0 HG21 VAL A 53 19.804 12.223 -5.096 1.00 41.14 H new ATOM 0 HG22 VAL A 53 18.964 12.416 -3.540 1.00 41.14 H new ATOM 0 HG23 VAL A 53 18.262 13.109 -5.021 1.00 41.14 H new ATOM 814 N PHE A 54 20.541 16.676 -2.174 1.00 74.22 N ATOM 815 CA PHE A 54 21.283 17.909 -1.943 1.00 45.34 C ATOM 816 C PHE A 54 22.723 17.609 -1.538 1.00 5.12 C ATOM 817 O PHE A 54 23.008 17.353 -0.368 1.00 65.54 O ATOM 818 CB PHE A 54 20.600 18.746 -0.860 1.00 23.13 C ATOM 819 CG PHE A 54 19.116 18.878 -1.051 1.00 23.45 C ATOM 820 CD1 PHE A 54 18.602 19.502 -2.175 1.00 73.23 C ATOM 821 CD2 PHE A 54 18.236 18.377 -0.105 1.00 12.43 C ATOM 822 CE1 PHE A 54 17.237 19.624 -2.354 1.00 54.42 C ATOM 823 CE2 PHE A 54 16.870 18.497 -0.278 1.00 71.44 C ATOM 824 CZ PHE A 54 16.370 19.122 -1.404 1.00 33.12 C ATOM 0 H PHE A 54 20.619 15.990 -1.423 1.00 74.22 H new ATOM 0 HA PHE A 54 21.296 18.475 -2.874 1.00 45.34 H new ATOM 0 HB2 PHE A 54 20.794 18.295 0.113 1.00 23.13 H new ATOM 0 HB3 PHE A 54 21.046 19.740 -0.845 1.00 23.13 H new ATOM 0 HD1 PHE A 54 19.276 19.898 -2.921 1.00 73.23 H new ATOM 0 HD2 PHE A 54 18.622 17.887 0.777 1.00 12.43 H new ATOM 0 HE1 PHE A 54 16.849 20.112 -3.236 1.00 54.42 H new ATOM 0 HE2 PHE A 54 16.194 18.103 0.466 1.00 71.44 H new ATOM 0 HZ PHE A 54 15.303 19.218 -1.541 1.00 33.12 H new ATOM 834 N GLN A 55 23.626 17.643 -2.513 1.00 31.21 N ATOM 835 CA GLN A 55 25.036 17.373 -2.258 1.00 10.11 C ATOM 836 C GLN A 55 25.555 18.231 -1.109 1.00 42.41 C ATOM 837 O GLN A 55 26.354 17.774 -0.291 1.00 12.34 O ATOM 838 CB GLN A 55 25.863 17.633 -3.518 1.00 72.24 C ATOM 839 CG GLN A 55 27.364 17.597 -3.280 1.00 34.44 C ATOM 840 CD GLN A 55 27.940 18.966 -2.978 1.00 52.04 C ATOM 841 OE1 GLN A 55 27.738 19.908 -3.893 1.00 60.44 O flip ATOM 842 NE2 GLN A 55 28.560 19.176 -1.935 1.00 31.25 N flip ATOM 0 H GLN A 55 23.406 17.855 -3.486 1.00 31.21 H new ATOM 0 HA GLN A 55 25.134 16.324 -1.978 1.00 10.11 H new ATOM 0 HB2 GLN A 55 25.605 16.889 -4.271 1.00 72.24 H new ATOM 0 HB3 GLN A 55 25.592 18.607 -3.926 1.00 72.24 H new ATOM 0 HG2 GLN A 55 27.580 16.925 -2.450 1.00 34.44 H new ATOM 0 HG3 GLN A 55 27.858 17.185 -4.160 1.00 34.44 H new ATOM 0 HE21 GLN A 55 28.692 18.423 -1.260 1.00 31.25 H new ATOM 0 HE22 GLN A 55 28.942 20.103 -1.747 1.00 31.25 H new ATOM 851 N HIS A 56 25.097 19.478 -1.054 1.00 40.02 N ATOM 852 CA HIS A 56 25.515 20.401 -0.005 1.00 24.21 C ATOM 853 C HIS A 56 24.395 20.615 1.009 1.00 64.32 C ATOM 854 O HIS A 56 23.219 20.434 0.696 1.00 44.22 O ATOM 855 CB HIS A 56 25.933 21.741 -0.612 1.00 31.35 C ATOM 856 CG HIS A 56 27.388 22.050 -0.437 1.00 70.20 C ATOM 857 ND1 HIS A 56 28.320 22.454 -1.331 1.00 31.22 N flip ATOM 858 CD2 HIS A 56 28.038 21.953 0.775 1.00 5.42 C flip ATOM 859 CE1 HIS A 56 29.504 22.594 -0.649 1.00 53.10 C flip ATOM 860 NE2 HIS A 56 29.307 22.286 0.620 1.00 43.31 N flip ATOM 0 H HIS A 56 24.436 19.872 -1.724 1.00 40.02 H new ATOM 0 HA HIS A 56 26.369 19.963 0.511 1.00 24.21 H new ATOM 0 HB2 HIS A 56 25.696 21.738 -1.676 1.00 31.35 H new ATOM 0 HB3 HIS A 56 25.344 22.537 -0.156 1.00 31.35 H new ATOM 0 HD2 HIS A 56 27.581 21.652 1.706 1.00 5.42 H new ATOM 0 HE1 HIS A 56 30.444 22.905 -1.081 1.00 53.10 H new ATOM 0 HE2 HIS A 56 30.014 22.302 1.355 1.00 43.31 H new ATOM 868 N ASN A 57 24.770 21.000 2.225 1.00 73.34 N ATOM 869 CA ASN A 57 23.796 21.237 3.285 1.00 65.14 C ATOM 870 C ASN A 57 23.341 22.693 3.290 1.00 44.15 C ATOM 871 O ASN A 57 23.977 23.555 2.684 1.00 61.54 O ATOM 872 CB ASN A 57 24.394 20.873 4.645 1.00 5.11 C ATOM 873 CG ASN A 57 25.753 21.509 4.868 1.00 0.02 C ATOM 874 OD1 ASN A 57 25.956 22.686 4.570 1.00 64.02 O ATOM 875 ND2 ASN A 57 26.691 20.731 5.395 1.00 30.34 N ATOM 0 H ASN A 57 25.740 21.154 2.501 1.00 73.34 H new ATOM 0 HA ASN A 57 22.928 20.605 3.096 1.00 65.14 H new ATOM 0 HB2 ASN A 57 23.713 21.190 5.435 1.00 5.11 H new ATOM 0 HB3 ASN A 57 24.486 19.790 4.720 1.00 5.11 H new ATOM 0 HD21 ASN A 57 27.625 21.104 5.568 1.00 30.34 H new ATOM 0 HD22 ASN A 57 26.478 19.761 5.627 1.00 30.34 H new ATOM 882 N ASN A 58 22.237 22.960 3.978 1.00 34.25 N ATOM 883 CA ASN A 58 21.696 24.312 4.063 1.00 70.33 C ATOM 884 C ASN A 58 21.275 24.816 2.686 1.00 71.12 C ATOM 885 O ASN A 58 21.177 26.022 2.458 1.00 74.23 O ATOM 886 CB ASN A 58 22.731 25.260 4.671 1.00 0.20 C ATOM 887 CG ASN A 58 22.113 26.238 5.652 1.00 62.02 C ATOM 888 OD1 ASN A 58 21.076 26.841 5.375 1.00 62.24 O ATOM 889 ND2 ASN A 58 22.750 26.400 6.806 1.00 33.41 N ATOM 0 H ASN A 58 21.698 22.258 4.485 1.00 34.25 H new ATOM 0 HA ASN A 58 20.816 24.285 4.706 1.00 70.33 H new ATOM 0 HB2 ASN A 58 23.500 24.677 5.179 1.00 0.20 H new ATOM 0 HB3 ASN A 58 23.226 25.814 3.873 1.00 0.20 H new ATOM 0 HD21 ASN A 58 22.382 27.045 7.505 1.00 33.41 H new ATOM 0 HD22 ASN A 58 23.607 25.879 6.993 1.00 33.41 H new ATOM 896 N PHE A 59 21.027 23.884 1.771 1.00 13.40 N ATOM 897 CA PHE A 59 20.616 24.234 0.416 1.00 23.30 C ATOM 898 C PHE A 59 21.577 25.247 -0.199 1.00 41.10 C ATOM 899 O PHE A 59 21.166 26.318 -0.647 1.00 71.54 O ATOM 900 CB PHE A 59 19.195 24.800 0.421 1.00 72.42 C ATOM 901 CG PHE A 59 18.128 23.742 0.397 1.00 5.02 C ATOM 902 CD1 PHE A 59 18.140 22.708 1.319 1.00 73.40 C ATOM 903 CD2 PHE A 59 17.115 23.783 -0.546 1.00 73.43 C ATOM 904 CE1 PHE A 59 17.160 21.733 1.299 1.00 62.22 C ATOM 905 CE2 PHE A 59 16.132 22.811 -0.571 1.00 61.21 C ATOM 906 CZ PHE A 59 16.154 21.785 0.353 1.00 5.14 C ATOM 0 H PHE A 59 21.103 22.882 1.943 1.00 13.40 H new ATOM 0 HA PHE A 59 20.636 23.327 -0.188 1.00 23.30 H new ATOM 0 HB2 PHE A 59 19.062 25.419 1.308 1.00 72.42 H new ATOM 0 HB3 PHE A 59 19.069 25.452 -0.444 1.00 72.42 H new ATOM 0 HD1 PHE A 59 18.923 22.663 2.061 1.00 73.40 H new ATOM 0 HD2 PHE A 59 17.092 24.584 -1.271 1.00 73.43 H new ATOM 0 HE1 PHE A 59 17.181 20.931 2.022 1.00 62.22 H new ATOM 0 HE2 PHE A 59 15.348 22.854 -1.312 1.00 61.21 H new ATOM 0 HZ PHE A 59 15.387 21.025 0.336 1.00 5.14 H new ATOM 916 N LYS A 60 22.860 24.902 -0.216 1.00 41.02 N ATOM 917 CA LYS A 60 23.881 25.779 -0.776 1.00 45.20 C ATOM 918 C LYS A 60 24.292 25.315 -2.170 1.00 5.52 C ATOM 919 O LYS A 60 24.485 26.128 -3.073 1.00 52.03 O ATOM 920 CB LYS A 60 25.106 25.821 0.141 1.00 71.40 C ATOM 921 CG LYS A 60 26.263 26.626 -0.425 1.00 33.11 C ATOM 922 CD LYS A 60 27.261 25.736 -1.147 1.00 11.41 C ATOM 923 CE LYS A 60 28.680 26.265 -1.008 1.00 65.24 C ATOM 924 NZ LYS A 60 28.911 27.464 -1.860 1.00 45.23 N ATOM 0 H LYS A 60 23.218 24.020 0.152 1.00 41.02 H new ATOM 0 HA LYS A 60 23.460 26.781 -0.855 1.00 45.20 H new ATOM 0 HB2 LYS A 60 24.815 26.245 1.102 1.00 71.40 H new ATOM 0 HB3 LYS A 60 25.442 24.802 0.331 1.00 71.40 H new ATOM 0 HG2 LYS A 60 25.881 27.379 -1.114 1.00 33.11 H new ATOM 0 HG3 LYS A 60 26.766 27.158 0.382 1.00 33.11 H new ATOM 0 HD2 LYS A 60 27.207 24.725 -0.744 1.00 11.41 H new ATOM 0 HD3 LYS A 60 26.997 25.673 -2.203 1.00 11.41 H new ATOM 0 HE2 LYS A 60 28.873 26.518 0.035 1.00 65.24 H new ATOM 0 HE3 LYS A 60 29.388 25.483 -1.282 1.00 65.24 H new ATOM 0 HZ1 LYS A 60 29.890 27.794 -1.737 1.00 45.23 H new ATOM 0 HZ2 LYS A 60 28.752 27.217 -2.858 1.00 45.23 H new ATOM 0 HZ3 LYS A 60 28.253 28.220 -1.581 1.00 45.23 H new ATOM 938 N GLY A 61 24.424 24.003 -2.337 1.00 60.03 N ATOM 939 CA GLY A 61 24.810 23.454 -3.624 1.00 50.32 C ATOM 940 C GLY A 61 23.615 23.148 -4.506 1.00 4.13 C ATOM 941 O GLY A 61 22.469 23.295 -4.083 1.00 14.31 O ATOM 0 H GLY A 61 24.271 23.310 -1.604 1.00 60.03 H new ATOM 0 HA2 GLY A 61 25.464 24.160 -4.136 1.00 50.32 H new ATOM 0 HA3 GLY A 61 25.386 22.542 -3.468 1.00 50.32 H new ATOM 945 N VAL A 62 23.883 22.722 -5.736 1.00 45.20 N ATOM 946 CA VAL A 62 22.822 22.395 -6.680 1.00 54.01 C ATOM 947 C VAL A 62 21.849 21.384 -6.084 1.00 70.53 C ATOM 948 O VAL A 62 22.233 20.542 -5.271 1.00 52.44 O ATOM 949 CB VAL A 62 23.393 21.829 -7.994 1.00 22.04 C ATOM 950 CG1 VAL A 62 24.307 22.846 -8.660 1.00 64.42 C ATOM 951 CG2 VAL A 62 24.132 20.525 -7.734 1.00 71.33 C ATOM 0 H VAL A 62 24.827 22.595 -6.102 1.00 45.20 H new ATOM 0 HA VAL A 62 22.292 23.323 -6.894 1.00 54.01 H new ATOM 0 HB VAL A 62 22.565 21.622 -8.672 1.00 22.04 H new ATOM 0 HG11 VAL A 62 24.701 22.429 -9.587 1.00 64.42 H new ATOM 0 HG12 VAL A 62 23.743 23.752 -8.881 1.00 64.42 H new ATOM 0 HG13 VAL A 62 25.133 23.087 -7.990 1.00 64.42 H new ATOM 0 HG21 VAL A 62 24.529 20.138 -8.673 1.00 71.33 H new ATOM 0 HG22 VAL A 62 24.953 20.704 -7.039 1.00 71.33 H new ATOM 0 HG23 VAL A 62 23.445 19.797 -7.304 1.00 71.33 H new ATOM 961 N ARG A 63 20.588 21.471 -6.494 1.00 51.05 N ATOM 962 CA ARG A 63 19.559 20.564 -6.001 1.00 22.43 C ATOM 963 C ARG A 63 19.091 19.620 -7.105 1.00 25.45 C ATOM 964 O ARG A 63 18.902 20.032 -8.249 1.00 1.21 O ATOM 965 CB ARG A 63 18.370 21.356 -5.454 1.00 71.34 C ATOM 966 CG ARG A 63 17.588 22.098 -6.526 1.00 63.43 C ATOM 967 CD ARG A 63 16.921 23.344 -5.967 1.00 3.42 C ATOM 968 NE ARG A 63 17.067 24.491 -6.860 1.00 30.31 N ATOM 969 CZ ARG A 63 16.383 25.621 -6.722 1.00 40.23 C ATOM 970 NH1 ARG A 63 15.511 25.756 -5.733 1.00 1.14 N ATOM 971 NH2 ARG A 63 16.571 26.620 -7.575 1.00 61.15 N ATOM 0 H ARG A 63 20.254 22.161 -7.167 1.00 51.05 H new ATOM 0 HA ARG A 63 19.991 19.968 -5.197 1.00 22.43 H new ATOM 0 HB2 ARG A 63 17.698 20.674 -4.933 1.00 71.34 H new ATOM 0 HB3 ARG A 63 18.730 22.073 -4.717 1.00 71.34 H new ATOM 0 HG2 ARG A 63 18.258 22.377 -7.339 1.00 63.43 H new ATOM 0 HG3 ARG A 63 16.831 21.437 -6.949 1.00 63.43 H new ATOM 0 HD2 ARG A 63 15.862 23.145 -5.802 1.00 3.42 H new ATOM 0 HD3 ARG A 63 17.355 23.583 -4.996 1.00 3.42 H new ATOM 0 HE ARG A 63 17.730 24.420 -7.632 1.00 30.31 H new ATOM 0 HH11 ARG A 63 15.364 24.991 -5.075 1.00 1.14 H new ATOM 0 HH12 ARG A 63 14.987 26.625 -5.630 1.00 1.14 H new ATOM 0 HH21 ARG A 63 17.241 26.520 -8.337 1.00 61.15 H new ATOM 0 HH22 ARG A 63 16.045 27.488 -7.468 1.00 61.15 H new ATOM 985 N ASP A 64 18.908 18.352 -6.753 1.00 71.20 N ATOM 986 CA ASP A 64 18.462 17.349 -7.713 1.00 71.03 C ATOM 987 C ASP A 64 17.067 16.843 -7.362 1.00 35.43 C ATOM 988 O ASP A 64 16.486 17.241 -6.352 1.00 4.14 O ATOM 989 CB ASP A 64 19.447 16.179 -7.756 1.00 53.51 C ATOM 990 CG ASP A 64 20.360 16.236 -8.965 1.00 23.23 C ATOM 991 OD1 ASP A 64 21.437 16.862 -8.867 1.00 34.15 O ATOM 992 OD2 ASP A 64 19.999 15.653 -10.008 1.00 44.13 O ATOM 0 H ASP A 64 19.062 17.994 -5.810 1.00 71.20 H new ATOM 0 HA ASP A 64 18.422 17.816 -8.697 1.00 71.03 H new ATOM 0 HB2 ASP A 64 20.050 16.182 -6.848 1.00 53.51 H new ATOM 0 HB3 ASP A 64 18.892 15.241 -7.767 1.00 53.51 H new ATOM 997 N PHE A 65 16.533 15.963 -8.203 1.00 33.25 N ATOM 998 CA PHE A 65 15.204 15.403 -7.982 1.00 2.32 C ATOM 999 C PHE A 65 15.059 14.055 -8.681 1.00 71.13 C ATOM 1000 O PHE A 65 15.345 13.927 -9.872 1.00 73.01 O ATOM 1001 CB PHE A 65 14.130 16.370 -8.485 1.00 44.03 C ATOM 1002 CG PHE A 65 14.276 16.725 -9.937 1.00 64.24 C ATOM 1003 CD1 PHE A 65 15.195 17.680 -10.342 1.00 24.40 C ATOM 1004 CD2 PHE A 65 13.494 16.104 -10.898 1.00 23.21 C ATOM 1005 CE1 PHE A 65 15.333 18.008 -11.678 1.00 14.24 C ATOM 1006 CE2 PHE A 65 13.627 16.428 -12.235 1.00 24.12 C ATOM 1007 CZ PHE A 65 14.547 17.382 -12.625 1.00 53.10 C ATOM 0 H PHE A 65 17.000 15.622 -9.043 1.00 33.25 H new ATOM 0 HA PHE A 65 15.074 15.252 -6.910 1.00 2.32 H new ATOM 0 HB2 PHE A 65 13.148 15.925 -8.325 1.00 44.03 H new ATOM 0 HB3 PHE A 65 14.167 17.283 -7.890 1.00 44.03 H new ATOM 0 HD1 PHE A 65 15.811 18.174 -9.605 1.00 24.40 H new ATOM 0 HD2 PHE A 65 12.772 15.358 -10.599 1.00 23.21 H new ATOM 0 HE1 PHE A 65 16.054 18.753 -11.980 1.00 14.24 H new ATOM 0 HE2 PHE A 65 13.012 15.936 -12.974 1.00 24.12 H new ATOM 0 HZ PHE A 65 14.651 17.638 -13.669 1.00 53.10 H new ATOM 1017 N TYR A 66 14.613 13.052 -7.933 1.00 4.12 N ATOM 1018 CA TYR A 66 14.433 11.712 -8.479 1.00 13.31 C ATOM 1019 C TYR A 66 13.021 11.200 -8.210 1.00 0.22 C ATOM 1020 O TYR A 66 12.357 11.637 -7.269 1.00 22.01 O ATOM 1021 CB TYR A 66 15.459 10.751 -7.878 1.00 23.04 C ATOM 1022 CG TYR A 66 16.586 10.400 -8.822 1.00 44.14 C ATOM 1023 CD1 TYR A 66 16.332 9.775 -10.037 1.00 23.12 C ATOM 1024 CD2 TYR A 66 17.906 10.695 -8.501 1.00 33.12 C ATOM 1025 CE1 TYR A 66 17.359 9.452 -10.903 1.00 21.14 C ATOM 1026 CE2 TYR A 66 18.939 10.377 -9.361 1.00 72.12 C ATOM 1027 CZ TYR A 66 18.660 9.755 -10.560 1.00 44.15 C ATOM 1028 OH TYR A 66 19.686 9.436 -11.421 1.00 10.21 O ATOM 0 H TYR A 66 14.369 13.142 -6.947 1.00 4.12 H new ATOM 0 HA TYR A 66 14.583 11.764 -9.557 1.00 13.31 H new ATOM 0 HB2 TYR A 66 15.878 11.198 -6.976 1.00 23.04 H new ATOM 0 HB3 TYR A 66 14.952 9.835 -7.574 1.00 23.04 H new ATOM 0 HD1 TYR A 66 15.314 9.538 -10.309 1.00 23.12 H new ATOM 0 HD2 TYR A 66 18.128 11.181 -7.563 1.00 33.12 H new ATOM 0 HE1 TYR A 66 17.144 8.965 -11.843 1.00 21.14 H new ATOM 0 HE2 TYR A 66 19.959 10.614 -9.096 1.00 72.12 H new ATOM 0 HH TYR A 66 20.540 9.718 -11.031 1.00 10.21 H new ATOM 1038 N THR A 67 12.567 10.269 -9.043 1.00 44.14 N ATOM 1039 CA THR A 67 11.235 9.696 -8.898 1.00 2.34 C ATOM 1040 C THR A 67 11.149 8.327 -9.563 1.00 5.43 C ATOM 1041 O THR A 67 10.129 7.978 -10.156 1.00 21.43 O ATOM 1042 CB THR A 67 10.159 10.617 -9.503 1.00 34.22 C ATOM 1043 OG1 THR A 67 8.855 10.089 -9.233 1.00 40.14 O ATOM 1044 CG2 THR A 67 10.352 10.762 -11.005 1.00 23.53 C ATOM 0 H THR A 67 13.103 9.895 -9.826 1.00 44.14 H new ATOM 0 HA THR A 67 11.052 9.589 -7.829 1.00 2.34 H new ATOM 0 HB THR A 67 10.255 11.601 -9.044 1.00 34.22 H new ATOM 0 HG1 THR A 67 8.818 9.150 -9.511 1.00 40.14 H new ATOM 0 HG21 THR A 67 9.580 11.417 -11.409 1.00 23.53 H new ATOM 0 HG22 THR A 67 11.334 11.191 -11.206 1.00 23.53 H new ATOM 0 HG23 THR A 67 10.281 9.782 -11.477 1.00 23.53 H new ATOM 1052 N SER A 68 12.227 7.556 -9.460 1.00 20.03 N ATOM 1053 CA SER A 68 12.274 6.225 -10.055 1.00 3.45 C ATOM 1054 C SER A 68 13.533 5.481 -9.621 1.00 22.24 C ATOM 1055 O SER A 68 14.432 6.061 -9.011 1.00 33.12 O ATOM 1056 CB SER A 68 12.227 6.324 -11.580 1.00 73.25 C ATOM 1057 OG SER A 68 13.475 6.744 -12.104 1.00 12.24 O ATOM 0 H SER A 68 13.079 7.830 -8.971 1.00 20.03 H new ATOM 0 HA SER A 68 11.405 5.667 -9.707 1.00 3.45 H new ATOM 0 HB2 SER A 68 11.960 5.355 -12.002 1.00 73.25 H new ATOM 0 HB3 SER A 68 11.449 7.027 -11.878 1.00 73.25 H new ATOM 0 HG SER A 68 13.418 6.797 -13.081 1.00 12.24 H new ATOM 1063 N ASP A 69 13.590 4.193 -9.940 1.00 22.55 N ATOM 1064 CA ASP A 69 14.739 3.367 -9.584 1.00 52.03 C ATOM 1065 C ASP A 69 16.039 4.017 -10.047 1.00 0.34 C ATOM 1066 O ASP A 69 16.320 4.084 -11.243 1.00 10.22 O ATOM 1067 CB ASP A 69 14.603 1.974 -10.201 1.00 41.25 C ATOM 1068 CG ASP A 69 13.213 1.395 -10.023 1.00 64.05 C ATOM 1069 OD1 ASP A 69 12.329 1.712 -10.846 1.00 62.22 O ATOM 1070 OD2 ASP A 69 13.010 0.625 -9.061 1.00 13.51 O ATOM 0 H ASP A 69 12.855 3.698 -10.444 1.00 22.55 H new ATOM 0 HA ASP A 69 14.767 3.274 -8.498 1.00 52.03 H new ATOM 0 HB2 ASP A 69 14.838 2.026 -11.264 1.00 41.25 H new ATOM 0 HB3 ASP A 69 15.333 1.305 -9.745 1.00 41.25 H new ATOM 1075 N ALA A 70 16.828 4.496 -9.090 1.00 71.11 N ATOM 1076 CA ALA A 70 18.099 5.140 -9.399 1.00 35.00 C ATOM 1077 C ALA A 70 19.273 4.305 -8.900 1.00 71.12 C ATOM 1078 O ALA A 70 19.351 3.971 -7.718 1.00 64.24 O ATOM 1079 CB ALA A 70 18.145 6.535 -8.792 1.00 74.52 C ATOM 0 H ALA A 70 16.609 4.450 -8.095 1.00 71.11 H new ATOM 0 HA ALA A 70 18.182 5.224 -10.483 1.00 35.00 H new ATOM 0 HB1 ALA A 70 19.099 7.004 -9.030 1.00 74.52 H new ATOM 0 HB2 ALA A 70 17.333 7.136 -9.200 1.00 74.52 H new ATOM 0 HB3 ALA A 70 18.036 6.465 -7.710 1.00 74.52 H new ATOM 1085 N ALA A 71 20.183 3.970 -9.809 1.00 3.43 N ATOM 1086 CA ALA A 71 21.354 3.175 -9.460 1.00 42.31 C ATOM 1087 C ALA A 71 22.605 4.044 -9.382 1.00 53.53 C ATOM 1088 O ALA A 71 23.722 3.556 -9.546 1.00 71.41 O ATOM 1089 CB ALA A 71 21.550 2.054 -10.470 1.00 4.12 C ATOM 0 H ALA A 71 20.132 4.237 -10.792 1.00 3.43 H new ATOM 0 HA ALA A 71 21.186 2.738 -8.476 1.00 42.31 H new ATOM 0 HB1 ALA A 71 22.428 1.468 -10.198 1.00 4.12 H new ATOM 0 HB2 ALA A 71 20.671 1.410 -10.474 1.00 4.12 H new ATOM 0 HB3 ALA A 71 21.692 2.480 -11.463 1.00 4.12 H new ATOM 1095 N GLU A 72 22.408 5.335 -9.132 1.00 41.31 N ATOM 1096 CA GLU A 72 23.521 6.272 -9.035 1.00 24.15 C ATOM 1097 C GLU A 72 23.037 7.648 -8.587 1.00 30.15 C ATOM 1098 O GLU A 72 22.284 8.315 -9.297 1.00 12.31 O ATOM 1099 CB GLU A 72 24.241 6.386 -10.380 1.00 73.42 C ATOM 1100 CG GLU A 72 25.739 6.147 -10.292 1.00 34.42 C ATOM 1101 CD GLU A 72 26.547 7.390 -10.606 1.00 44.04 C ATOM 1102 OE1 GLU A 72 26.089 8.499 -10.263 1.00 11.44 O ATOM 1103 OE2 GLU A 72 27.640 7.253 -11.197 1.00 34.05 O ATOM 0 H GLU A 72 21.489 5.755 -8.993 1.00 41.31 H new ATOM 0 HA GLU A 72 24.218 5.890 -8.289 1.00 24.15 H new ATOM 0 HB2 GLU A 72 23.808 5.668 -11.076 1.00 73.42 H new ATOM 0 HB3 GLU A 72 24.064 7.379 -10.794 1.00 73.42 H new ATOM 0 HG2 GLU A 72 25.989 5.799 -9.290 1.00 34.42 H new ATOM 0 HG3 GLU A 72 26.018 5.353 -10.984 1.00 34.42 H new ATOM 1110 N LEU A 73 23.474 8.066 -7.404 1.00 33.14 N ATOM 1111 CA LEU A 73 23.085 9.362 -6.859 1.00 41.30 C ATOM 1112 C LEU A 73 23.515 10.494 -7.787 1.00 61.10 C ATOM 1113 O LEU A 73 24.300 10.287 -8.712 1.00 62.13 O ATOM 1114 CB LEU A 73 23.702 9.561 -5.474 1.00 2.24 C ATOM 1115 CG LEU A 73 22.811 9.203 -4.284 1.00 31.40 C ATOM 1116 CD1 LEU A 73 23.532 9.480 -2.974 1.00 71.00 C ATOM 1117 CD2 LEU A 73 21.501 9.974 -4.348 1.00 12.05 C ATOM 0 H LEU A 73 24.098 7.526 -6.804 1.00 33.14 H new ATOM 0 HA LEU A 73 21.999 9.381 -6.772 1.00 41.30 H new ATOM 0 HB2 LEU A 73 24.611 8.963 -5.414 1.00 2.24 H new ATOM 0 HB3 LEU A 73 24.000 10.605 -5.378 1.00 2.24 H new ATOM 0 HG LEU A 73 22.585 8.138 -4.331 1.00 31.40 H new ATOM 0 HD11 LEU A 73 22.882 9.219 -2.139 1.00 71.00 H new ATOM 0 HD12 LEU A 73 24.442 8.882 -2.926 1.00 71.00 H new ATOM 0 HD13 LEU A 73 23.789 10.538 -2.917 1.00 71.00 H new ATOM 0 HD21 LEU A 73 20.879 9.707 -3.493 1.00 12.05 H new ATOM 0 HD22 LEU A 73 21.707 11.044 -4.326 1.00 12.05 H new ATOM 0 HD23 LEU A 73 20.977 9.724 -5.270 1.00 12.05 H new ATOM 1129 N SER A 74 22.997 11.691 -7.532 1.00 30.03 N ATOM 1130 CA SER A 74 23.326 12.856 -8.345 1.00 60.31 C ATOM 1131 C SER A 74 24.806 13.204 -8.222 1.00 23.32 C ATOM 1132 O SER A 74 25.399 13.777 -9.136 1.00 15.50 O ATOM 1133 CB SER A 74 22.472 14.054 -7.927 1.00 1.13 C ATOM 1134 OG SER A 74 21.093 13.729 -7.945 1.00 30.21 O ATOM 0 H SER A 74 22.347 11.880 -6.768 1.00 30.03 H new ATOM 0 HA SER A 74 23.113 12.613 -9.386 1.00 60.31 H new ATOM 0 HB2 SER A 74 22.759 14.378 -6.927 1.00 1.13 H new ATOM 0 HB3 SER A 74 22.660 14.891 -8.599 1.00 1.13 H new ATOM 0 HG SER A 74 20.791 13.535 -7.033 1.00 30.21 H new ATOM 1140 N ARG A 75 25.398 12.852 -7.085 1.00 15.34 N ATOM 1141 CA ARG A 75 26.808 13.128 -6.840 1.00 1.12 C ATOM 1142 C ARG A 75 27.487 11.936 -6.172 1.00 22.01 C ATOM 1143 O ARG A 75 27.160 11.576 -5.041 1.00 71.21 O ATOM 1144 CB ARG A 75 26.962 14.373 -5.964 1.00 33.21 C ATOM 1145 CG ARG A 75 27.877 15.429 -6.562 1.00 13.03 C ATOM 1146 CD ARG A 75 27.117 16.362 -7.492 1.00 64.22 C ATOM 1147 NE ARG A 75 28.012 17.262 -8.215 1.00 22.04 N ATOM 1148 CZ ARG A 75 27.588 18.229 -9.021 1.00 22.13 C ATOM 1149 NH1 ARG A 75 26.289 18.420 -9.206 1.00 44.00 N ATOM 1150 NH2 ARG A 75 28.464 19.007 -9.643 1.00 42.30 N ATOM 0 H ARG A 75 24.922 12.375 -6.319 1.00 15.34 H new ATOM 0 HA ARG A 75 27.289 13.307 -7.801 1.00 1.12 H new ATOM 0 HB2 ARG A 75 25.978 14.811 -5.794 1.00 33.21 H new ATOM 0 HB3 ARG A 75 27.352 14.076 -4.990 1.00 33.21 H new ATOM 0 HG2 ARG A 75 28.339 16.008 -5.762 1.00 13.03 H new ATOM 0 HG3 ARG A 75 28.684 14.944 -7.111 1.00 13.03 H new ATOM 0 HD2 ARG A 75 26.541 15.773 -8.206 1.00 64.22 H new ATOM 0 HD3 ARG A 75 26.403 16.948 -6.913 1.00 64.22 H new ATOM 0 HE ARG A 75 29.018 17.141 -8.094 1.00 22.04 H new ATOM 0 HH11 ARG A 75 25.613 17.824 -8.729 1.00 44.00 H new ATOM 0 HH12 ARG A 75 25.966 19.163 -9.825 1.00 44.00 H new ATOM 0 HH21 ARG A 75 29.464 18.863 -9.503 1.00 42.30 H new ATOM 0 HH22 ARG A 75 28.138 19.749 -10.262 1.00 42.30 H new ATOM 1164 N ASP A 76 28.433 11.328 -6.879 1.00 41.13 N ATOM 1165 CA ASP A 76 29.159 10.177 -6.355 1.00 71.12 C ATOM 1166 C ASP A 76 29.766 10.492 -4.991 1.00 74.24 C ATOM 1167 O ASP A 76 30.660 11.329 -4.878 1.00 21.44 O ATOM 1168 CB ASP A 76 30.258 9.753 -7.331 1.00 21.14 C ATOM 1169 CG ASP A 76 30.732 8.334 -7.087 1.00 63.31 C ATOM 1170 OD1 ASP A 76 30.619 7.859 -5.937 1.00 74.35 O ATOM 1171 OD2 ASP A 76 31.216 7.698 -8.046 1.00 63.53 O ATOM 0 H ASP A 76 28.715 11.613 -7.817 1.00 41.13 H new ATOM 0 HA ASP A 76 28.452 9.356 -6.237 1.00 71.12 H new ATOM 0 HB2 ASP A 76 29.886 9.838 -8.352 1.00 21.14 H new ATOM 0 HB3 ASP A 76 31.103 10.436 -7.241 1.00 21.14 H new ATOM 1176 N ASN A 77 29.271 9.816 -3.959 1.00 44.02 N ATOM 1177 CA ASN A 77 29.764 10.025 -2.602 1.00 52.14 C ATOM 1178 C ASN A 77 29.752 11.508 -2.242 1.00 64.50 C ATOM 1179 O ASN A 77 30.797 12.097 -1.964 1.00 53.43 O ATOM 1180 CB ASN A 77 31.180 9.465 -2.460 1.00 24.13 C ATOM 1181 CG ASN A 77 31.230 7.962 -2.654 1.00 70.31 C ATOM 1182 OD1 ASN A 77 30.323 7.370 -3.240 1.00 43.24 O ATOM 1183 ND2 ASN A 77 32.293 7.336 -2.161 1.00 53.32 N ATOM 0 H ASN A 77 28.530 9.120 -4.036 1.00 44.02 H new ATOM 0 HA ASN A 77 29.102 9.497 -1.916 1.00 52.14 H new ATOM 0 HB2 ASN A 77 31.832 9.945 -3.190 1.00 24.13 H new ATOM 0 HB3 ASN A 77 31.569 9.714 -1.473 1.00 24.13 H new ATOM 0 HD21 ASN A 77 32.381 6.325 -2.261 1.00 53.32 H new ATOM 0 HD22 ASN A 77 33.021 7.867 -1.683 1.00 53.32 H new ATOM 1190 N ASP A 78 28.565 12.103 -2.248 1.00 50.02 N ATOM 1191 CA ASP A 78 28.417 13.516 -1.920 1.00 54.23 C ATOM 1192 C ASP A 78 26.943 13.897 -1.811 1.00 24.11 C ATOM 1193 O ASP A 78 26.384 14.517 -2.715 1.00 33.14 O ATOM 1194 CB ASP A 78 29.103 14.382 -2.978 1.00 73.12 C ATOM 1195 CG ASP A 78 30.494 14.814 -2.559 1.00 62.24 C ATOM 1196 OD1 ASP A 78 30.649 15.285 -1.413 1.00 70.15 O ATOM 1197 OD2 ASP A 78 31.428 14.681 -3.378 1.00 5.42 O ATOM 0 H ASP A 78 27.691 11.629 -2.476 1.00 50.02 H new ATOM 0 HA ASP A 78 28.892 13.691 -0.955 1.00 54.23 H new ATOM 0 HB2 ASP A 78 29.165 13.827 -3.914 1.00 73.12 H new ATOM 0 HB3 ASP A 78 28.494 15.265 -3.171 1.00 73.12 H new ATOM 1202 N ALA A 79 26.321 13.520 -0.699 1.00 2.34 N ATOM 1203 CA ALA A 79 24.914 13.823 -0.471 1.00 33.12 C ATOM 1204 C ALA A 79 24.690 14.367 0.936 1.00 50.51 C ATOM 1205 O ALA A 79 24.260 13.641 1.832 1.00 51.11 O ATOM 1206 CB ALA A 79 24.063 12.582 -0.700 1.00 42.30 C ATOM 0 H ALA A 79 26.770 13.004 0.058 1.00 2.34 H new ATOM 0 HA ALA A 79 24.614 14.593 -1.182 1.00 33.12 H new ATOM 0 HB1 ALA A 79 23.014 12.823 -0.526 1.00 42.30 H new ATOM 0 HB2 ALA A 79 24.191 12.237 -1.726 1.00 42.30 H new ATOM 0 HB3 ALA A 79 24.374 11.796 -0.012 1.00 42.30 H new ATOM 1212 N SER A 80 24.985 15.650 1.123 1.00 23.10 N ATOM 1213 CA SER A 80 24.820 16.291 2.423 1.00 65.54 C ATOM 1214 C SER A 80 23.419 16.048 2.974 1.00 53.01 C ATOM 1215 O SER A 80 23.236 15.286 3.924 1.00 44.53 O ATOM 1216 CB SER A 80 25.084 17.793 2.311 1.00 0.40 C ATOM 1217 OG SER A 80 26.469 18.077 2.408 1.00 21.10 O ATOM 0 H SER A 80 25.339 16.266 0.391 1.00 23.10 H new ATOM 0 HA SER A 80 25.543 15.853 3.112 1.00 65.54 H new ATOM 0 HB2 SER A 80 24.700 18.163 1.360 1.00 0.40 H new ATOM 0 HB3 SER A 80 24.546 18.320 3.099 1.00 0.40 H new ATOM 0 HG SER A 80 26.866 18.077 1.512 1.00 21.10 H new ATOM 1223 N SER A 81 22.431 16.702 2.371 1.00 61.23 N ATOM 1224 CA SER A 81 21.045 16.561 2.803 1.00 45.34 C ATOM 1225 C SER A 81 20.184 15.984 1.684 1.00 34.30 C ATOM 1226 O SER A 81 20.555 16.031 0.511 1.00 30.52 O ATOM 1227 CB SER A 81 20.487 17.915 3.245 1.00 41.44 C ATOM 1228 OG SER A 81 19.070 17.897 3.276 1.00 4.10 O ATOM 0 H SER A 81 22.565 17.335 1.582 1.00 61.23 H new ATOM 0 HA SER A 81 21.021 15.873 3.648 1.00 45.34 H new ATOM 0 HB2 SER A 81 20.872 18.166 4.233 1.00 41.44 H new ATOM 0 HB3 SER A 81 20.829 18.693 2.563 1.00 41.44 H new ATOM 0 HG SER A 81 18.766 17.287 3.980 1.00 4.10 H new ATOM 1234 N VAL A 82 19.030 15.438 2.056 1.00 12.40 N ATOM 1235 CA VAL A 82 18.113 14.852 1.085 1.00 3.05 C ATOM 1236 C VAL A 82 16.663 15.151 1.449 1.00 62.13 C ATOM 1237 O VAL A 82 16.364 15.552 2.574 1.00 44.34 O ATOM 1238 CB VAL A 82 18.302 13.327 0.986 1.00 61.44 C ATOM 1239 CG1 VAL A 82 19.579 12.995 0.229 1.00 24.14 C ATOM 1240 CG2 VAL A 82 18.315 12.700 2.372 1.00 43.03 C ATOM 0 H VAL A 82 18.708 15.389 3.023 1.00 12.40 H new ATOM 0 HA VAL A 82 18.342 15.303 0.120 1.00 3.05 H new ATOM 0 HB VAL A 82 17.461 12.910 0.432 1.00 61.44 H new ATOM 0 HG11 VAL A 82 19.696 11.913 0.169 1.00 24.14 H new ATOM 0 HG12 VAL A 82 19.524 13.410 -0.777 1.00 24.14 H new ATOM 0 HG13 VAL A 82 20.434 13.424 0.752 1.00 24.14 H new ATOM 0 HG21 VAL A 82 18.449 11.622 2.282 1.00 43.03 H new ATOM 0 HG22 VAL A 82 19.135 13.121 2.954 1.00 43.03 H new ATOM 0 HG23 VAL A 82 17.370 12.907 2.874 1.00 43.03 H new ATOM 1250 N ARG A 83 15.765 14.952 0.489 1.00 5.20 N ATOM 1251 CA ARG A 83 14.346 15.201 0.708 1.00 53.15 C ATOM 1252 C ARG A 83 13.502 14.050 0.166 1.00 4.42 C ATOM 1253 O ARG A 83 13.751 13.546 -0.929 1.00 24.22 O ATOM 1254 CB ARG A 83 13.927 16.512 0.040 1.00 44.34 C ATOM 1255 CG ARG A 83 13.347 17.531 1.007 1.00 21.33 C ATOM 1256 CD ARG A 83 13.625 18.954 0.551 1.00 52.35 C ATOM 1257 NE ARG A 83 12.643 19.899 1.077 1.00 45.21 N ATOM 1258 CZ ARG A 83 12.412 21.093 0.542 1.00 73.45 C ATOM 1259 NH1 ARG A 83 13.087 21.485 -0.530 1.00 71.41 N ATOM 1260 NH2 ARG A 83 11.502 21.896 1.078 1.00 44.51 N ATOM 0 H ARG A 83 15.996 14.619 -0.447 1.00 5.20 H new ATOM 0 HA ARG A 83 14.178 15.278 1.782 1.00 53.15 H new ATOM 0 HB2 ARG A 83 14.792 16.949 -0.458 1.00 44.34 H new ATOM 0 HB3 ARG A 83 13.189 16.296 -0.733 1.00 44.34 H new ATOM 0 HG2 ARG A 83 12.271 17.380 1.094 1.00 21.33 H new ATOM 0 HG3 ARG A 83 13.772 17.376 1.999 1.00 21.33 H new ATOM 0 HD2 ARG A 83 14.623 19.250 0.875 1.00 52.35 H new ATOM 0 HD3 ARG A 83 13.619 18.993 -0.538 1.00 52.35 H new ATOM 0 HE ARG A 83 12.105 19.627 1.900 1.00 45.21 H new ATOM 0 HH11 ARG A 83 13.786 20.869 -0.946 1.00 71.41 H new ATOM 0 HH12 ARG A 83 12.907 22.402 -0.939 1.00 71.41 H new ATOM 0 HH21 ARG A 83 10.979 21.597 1.901 1.00 44.51 H new ATOM 0 HH22 ARG A 83 11.325 22.813 0.667 1.00 44.51 H new ATOM 1274 N VAL A 84 12.504 13.640 0.941 1.00 34.33 N ATOM 1275 CA VAL A 84 11.623 12.549 0.540 1.00 40.20 C ATOM 1276 C VAL A 84 10.163 12.892 0.815 1.00 42.25 C ATOM 1277 O VAL A 84 9.833 13.455 1.858 1.00 33.02 O ATOM 1278 CB VAL A 84 11.978 11.242 1.273 1.00 4.00 C ATOM 1279 CG1 VAL A 84 13.461 10.935 1.130 1.00 43.35 C ATOM 1280 CG2 VAL A 84 11.583 11.330 2.739 1.00 21.44 C ATOM 0 H VAL A 84 12.285 14.047 1.850 1.00 34.33 H new ATOM 0 HA VAL A 84 11.764 12.406 -0.531 1.00 40.20 H new ATOM 0 HB VAL A 84 11.417 10.426 0.817 1.00 4.00 H new ATOM 0 HG11 VAL A 84 13.693 10.008 1.654 1.00 43.35 H new ATOM 0 HG12 VAL A 84 13.710 10.827 0.074 1.00 43.35 H new ATOM 0 HG13 VAL A 84 14.044 11.750 1.559 1.00 43.35 H new ATOM 0 HG21 VAL A 84 11.841 10.398 3.242 1.00 21.44 H new ATOM 0 HG22 VAL A 84 12.115 12.156 3.210 1.00 21.44 H new ATOM 0 HG23 VAL A 84 10.509 11.499 2.817 1.00 21.44 H new ATOM 1290 N SER A 85 9.293 12.549 -0.129 1.00 73.25 N ATOM 1291 CA SER A 85 7.867 12.823 0.009 1.00 42.32 C ATOM 1292 C SER A 85 7.053 11.965 -0.954 1.00 33.30 C ATOM 1293 O SER A 85 7.595 11.371 -1.886 1.00 41.24 O ATOM 1294 CB SER A 85 7.584 14.305 -0.247 1.00 64.11 C ATOM 1295 OG SER A 85 8.598 15.122 0.312 1.00 24.32 O ATOM 0 H SER A 85 9.550 12.081 -0.998 1.00 73.25 H new ATOM 0 HA SER A 85 7.571 12.574 1.028 1.00 42.32 H new ATOM 0 HB2 SER A 85 7.517 14.486 -1.320 1.00 64.11 H new ATOM 0 HB3 SER A 85 6.619 14.573 0.182 1.00 64.11 H new ATOM 0 HG SER A 85 8.395 16.064 0.134 1.00 24.32 H new ATOM 1301 N LYS A 86 5.746 11.903 -0.721 1.00 40.43 N ATOM 1302 CA LYS A 86 4.854 11.119 -1.567 1.00 12.31 C ATOM 1303 C LYS A 86 4.145 12.009 -2.583 1.00 11.54 C ATOM 1304 O LYS A 86 3.386 12.905 -2.214 1.00 2.44 O ATOM 1305 CB LYS A 86 3.821 10.383 -0.710 1.00 5.22 C ATOM 1306 CG LYS A 86 4.402 9.782 0.559 1.00 54.13 C ATOM 1307 CD LYS A 86 5.488 8.766 0.248 1.00 1.22 C ATOM 1308 CE LYS A 86 6.775 9.080 0.996 1.00 51.33 C ATOM 1309 NZ LYS A 86 6.536 9.281 2.452 1.00 54.23 N ATOM 0 H LYS A 86 5.281 12.387 0.047 1.00 40.43 H new ATOM 0 HA LYS A 86 5.456 10.389 -2.108 1.00 12.31 H new ATOM 0 HB2 LYS A 86 3.023 11.076 -0.442 1.00 5.22 H new ATOM 0 HB3 LYS A 86 3.368 9.589 -1.304 1.00 5.22 H new ATOM 0 HG2 LYS A 86 4.813 10.575 1.183 1.00 54.13 H new ATOM 0 HG3 LYS A 86 3.608 9.303 1.133 1.00 54.13 H new ATOM 0 HD2 LYS A 86 5.143 7.768 0.519 1.00 1.22 H new ATOM 0 HD3 LYS A 86 5.682 8.756 -0.825 1.00 1.22 H new ATOM 0 HE2 LYS A 86 7.485 8.266 0.854 1.00 51.33 H new ATOM 0 HE3 LYS A 86 7.230 9.977 0.575 1.00 51.33 H new ATOM 0 HZ1 LYS A 86 7.447 9.307 2.953 1.00 54.23 H new ATOM 0 HZ2 LYS A 86 6.033 10.179 2.601 1.00 54.23 H new ATOM 0 HZ3 LYS A 86 5.960 8.497 2.821 1.00 54.23 H new ATOM 1323 N MET A 87 4.396 11.755 -3.863 1.00 4.54 N ATOM 1324 CA MET A 87 3.779 12.533 -4.931 1.00 65.11 C ATOM 1325 C MET A 87 2.533 11.833 -5.463 1.00 32.24 C ATOM 1326 O MET A 87 1.409 12.240 -5.169 1.00 24.32 O ATOM 1327 CB MET A 87 4.777 12.757 -6.069 1.00 41.01 C ATOM 1328 CG MET A 87 4.183 13.485 -7.264 1.00 14.22 C ATOM 1329 SD MET A 87 5.441 14.210 -8.332 1.00 4.42 S ATOM 1330 CE MET A 87 5.682 12.889 -9.517 1.00 11.20 C ATOM 0 H MET A 87 5.022 11.017 -4.186 1.00 4.54 H new ATOM 0 HA MET A 87 3.484 13.499 -4.520 1.00 65.11 H new ATOM 0 HB2 MET A 87 5.625 13.328 -5.691 1.00 41.01 H new ATOM 0 HB3 MET A 87 5.164 11.792 -6.397 1.00 41.01 H new ATOM 0 HG2 MET A 87 3.577 12.789 -7.844 1.00 14.22 H new ATOM 0 HG3 MET A 87 3.515 14.271 -6.911 1.00 14.22 H new ATOM 0 HE1 MET A 87 6.435 13.188 -10.247 1.00 11.20 H new ATOM 0 HE2 MET A 87 6.016 11.991 -8.998 1.00 11.20 H new ATOM 0 HE3 MET A 87 4.742 12.683 -10.029 1.00 11.20 H new ATOM 1340 N GLU A 88 2.740 10.779 -6.246 1.00 72.11 N ATOM 1341 CA GLU A 88 1.631 10.024 -6.819 1.00 4.22 C ATOM 1342 C GLU A 88 0.653 10.952 -7.533 1.00 41.04 C ATOM 1343 O GLU A 88 -0.500 11.092 -7.124 1.00 50.33 O ATOM 1344 CB GLU A 88 0.902 9.239 -5.727 1.00 13.23 C ATOM 1345 CG GLU A 88 -0.009 8.149 -6.266 1.00 51.10 C ATOM 1346 CD GLU A 88 -0.755 7.416 -5.168 1.00 52.11 C ATOM 1347 OE1 GLU A 88 -0.091 6.784 -4.320 1.00 3.51 O ATOM 1348 OE2 GLU A 88 -2.002 7.474 -5.157 1.00 74.50 O ATOM 0 H GLU A 88 3.664 10.429 -6.498 1.00 72.11 H new ATOM 0 HA GLU A 88 2.039 9.324 -7.548 1.00 4.22 H new ATOM 0 HB2 GLU A 88 1.639 8.789 -5.062 1.00 13.23 H new ATOM 0 HB3 GLU A 88 0.311 9.931 -5.127 1.00 13.23 H new ATOM 0 HG2 GLU A 88 -0.728 8.590 -6.956 1.00 51.10 H new ATOM 0 HG3 GLU A 88 0.584 7.434 -6.837 1.00 51.10 H new ATOM 1355 N THR A 89 1.122 11.585 -8.604 1.00 52.14 N ATOM 1356 CA THR A 89 0.291 12.501 -9.376 1.00 34.24 C ATOM 1357 C THR A 89 -0.848 11.760 -10.067 1.00 13.01 C ATOM 1358 O THR A 89 -2.009 12.161 -9.977 1.00 52.23 O ATOM 1359 CB THR A 89 1.117 13.252 -10.436 1.00 4.30 C ATOM 1360 OG1 THR A 89 2.210 12.437 -10.874 1.00 32.31 O ATOM 1361 CG2 THR A 89 1.649 14.564 -9.878 1.00 70.10 C ATOM 0 H THR A 89 2.073 11.480 -8.957 1.00 52.14 H new ATOM 0 HA THR A 89 -0.123 13.222 -8.671 1.00 34.24 H new ATOM 0 HB THR A 89 0.466 13.472 -11.282 1.00 4.30 H new ATOM 0 HG1 THR A 89 2.729 12.921 -11.549 1.00 32.31 H new ATOM 0 HG21 THR A 89 2.229 15.077 -10.645 1.00 70.10 H new ATOM 0 HG22 THR A 89 0.814 15.195 -9.572 1.00 70.10 H new ATOM 0 HG23 THR A 89 2.285 14.362 -9.016 1.00 70.10 H new ATOM 1369 N THR A 90 -0.510 10.675 -10.757 1.00 1.20 N ATOM 1370 CA THR A 90 -1.504 9.878 -11.464 1.00 52.22 C ATOM 1371 C THR A 90 -2.000 8.725 -10.600 1.00 34.22 C ATOM 1372 O THR A 90 -1.206 7.980 -10.027 1.00 13.45 O ATOM 1373 CB THR A 90 -0.938 9.312 -12.780 1.00 40.00 C ATOM 1374 OG1 THR A 90 0.156 10.119 -13.230 1.00 22.11 O ATOM 1375 CG2 THR A 90 -2.013 9.262 -13.855 1.00 14.12 C ATOM 0 H THR A 90 0.446 10.328 -10.841 1.00 1.20 H new ATOM 0 HA THR A 90 -2.338 10.542 -11.692 1.00 52.22 H new ATOM 0 HB THR A 90 -0.587 8.297 -12.592 1.00 40.00 H new ATOM 0 HG1 THR A 90 0.511 9.752 -14.066 1.00 22.11 H new ATOM 0 HG21 THR A 90 -1.589 8.859 -14.775 1.00 14.12 H new ATOM 0 HG22 THR A 90 -2.831 8.623 -13.522 1.00 14.12 H new ATOM 0 HG23 THR A 90 -2.390 10.268 -14.040 1.00 14.12 H new ATOM 1383 N ASN A 91 -3.319 8.582 -10.511 1.00 42.42 N ATOM 1384 CA ASN A 91 -3.921 7.518 -9.716 1.00 41.30 C ATOM 1385 C ASN A 91 -3.366 7.521 -8.295 1.00 14.03 C ATOM 1386 O ASN A 91 -3.602 8.454 -7.528 1.00 14.30 O ATOM 1387 CB ASN A 91 -3.669 6.159 -10.371 1.00 70.22 C ATOM 1388 CG ASN A 91 -4.648 5.100 -9.901 1.00 52.34 C ATOM 1389 OD1 ASN A 91 -4.915 4.972 -8.706 1.00 41.14 O ATOM 1390 ND2 ASN A 91 -5.189 4.335 -10.843 1.00 2.33 N ATOM 0 H ASN A 91 -3.991 9.190 -10.980 1.00 42.42 H new ATOM 0 HA ASN A 91 -4.995 7.697 -9.668 1.00 41.30 H new ATOM 0 HB2 ASN A 91 -3.741 6.262 -11.454 1.00 70.22 H new ATOM 0 HB3 ASN A 91 -2.652 5.834 -10.149 1.00 70.22 H new ATOM 0 HD21 ASN A 91 -5.855 3.606 -10.588 1.00 2.33 H new ATOM 0 HD22 ASN A 91 -4.938 4.477 -11.821 1.00 2.33 H new TER 1397 ASN A 91