USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 858 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 1 GLY N :NH3+ 148:sc= 1.29 (180deg=-0.00776) USER MOD Set 1.2: A 34 ASN : amide:sc= -1.73 K(o=-0.45,f=-5.8) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -160:sc= -0.0221 (180deg=-0.79) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 168:sc= 0 (180deg=-0.234) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.35 K(o=0.35,f=-0.29) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -173:sc= -2.02! (180deg=-2.17!) USER MOD Single : A 60 THR OG1 : rot 123:sc= 0.795 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00525 USER MOD Single : A 63 SER OG : rot -33:sc= 0.482 USER MOD Single : A 66 CYS SG : rot 180:sc= 0.0446 USER MOD Single : A 69 THR OG1 : rot 64:sc= 0.897 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -92:sc= 0.361 USER MOD Single : A 92 ASN : amide:sc= -3.87! C(o=-3.9!,f=-6!) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 103 LYS NZ :NH3+ -164:sc= -0.256 (180deg=-0.802) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.412 -1.484 4.649 1.00 2.34 N ATOM 2 CA GLY A 1 16.172 -2.580 3.996 1.00 12.45 C ATOM 3 C GLY A 1 15.691 -2.839 2.580 1.00 64.41 C ATOM 4 O GLY A 1 14.961 -2.023 2.016 1.00 13.45 O ATOM 0 H1 GLY A 1 15.346 -1.668 5.671 1.00 2.34 H new ATOM 0 H2 GLY A 1 15.901 -0.580 4.491 1.00 2.34 H new ATOM 0 H3 GLY A 1 14.455 -1.436 4.244 1.00 2.34 H new ATOM 0 HA2 GLY A 1 17.232 -2.326 3.978 1.00 12.45 H new ATOM 0 HA3 GLY A 1 16.073 -3.492 4.585 1.00 12.45 H new ATOM 10 N PRO A 2 16.096 -3.967 1.966 1.00 51.25 N ATOM 11 CA PRO A 2 15.651 -4.341 0.621 1.00 53.42 C ATOM 12 C PRO A 2 14.183 -4.774 0.612 1.00 72.22 C ATOM 13 O PRO A 2 13.872 -5.970 0.662 1.00 62.13 O ATOM 14 CB PRO A 2 16.587 -5.507 0.226 1.00 71.34 C ATOM 15 CG PRO A 2 17.648 -5.545 1.281 1.00 42.44 C ATOM 16 CD PRO A 2 17.025 -4.963 2.520 1.00 51.50 C ATOM 0 HA PRO A 2 15.705 -3.507 -0.079 1.00 53.42 H new ATOM 0 HB2 PRO A 2 16.042 -6.450 0.184 1.00 71.34 H new ATOM 0 HB3 PRO A 2 17.021 -5.345 -0.761 1.00 71.34 H new ATOM 0 HG2 PRO A 2 17.986 -6.566 1.457 1.00 42.44 H new ATOM 0 HG3 PRO A 2 18.521 -4.969 0.976 1.00 42.44 H new ATOM 0 HD2 PRO A 2 16.506 -5.720 3.108 1.00 51.50 H new ATOM 0 HD3 PRO A 2 17.769 -4.506 3.173 1.00 51.50 H new ATOM 24 N GLY A 3 13.287 -3.792 0.592 1.00 74.43 N ATOM 25 CA GLY A 3 11.863 -4.070 0.557 1.00 21.50 C ATOM 26 C GLY A 3 11.452 -4.811 -0.702 1.00 55.15 C ATOM 27 O GLY A 3 11.292 -4.203 -1.760 1.00 42.53 O ATOM 0 H GLY A 3 13.525 -2.800 0.600 1.00 74.43 H new ATOM 0 HA2 GLY A 3 11.589 -4.662 1.430 1.00 21.50 H new ATOM 0 HA3 GLY A 3 11.310 -3.133 0.621 1.00 21.50 H new ATOM 31 N SER A 4 11.302 -6.128 -0.586 1.00 65.14 N ATOM 32 CA SER A 4 10.910 -6.969 -1.709 1.00 51.53 C ATOM 33 C SER A 4 10.607 -8.384 -1.219 1.00 34.14 C ATOM 34 O SER A 4 11.519 -9.153 -0.891 1.00 33.23 O ATOM 35 CB SER A 4 12.018 -6.993 -2.775 1.00 33.11 C ATOM 36 OG SER A 4 11.629 -7.742 -3.916 1.00 31.32 O ATOM 0 H SER A 4 11.448 -6.638 0.285 1.00 65.14 H new ATOM 0 HA SER A 4 10.010 -6.554 -2.162 1.00 51.53 H new ATOM 0 HB2 SER A 4 12.259 -5.973 -3.074 1.00 33.11 H new ATOM 0 HB3 SER A 4 12.925 -7.423 -2.349 1.00 33.11 H new ATOM 0 HG SER A 4 12.355 -7.736 -4.574 1.00 31.32 H new ATOM 42 N MET A 5 9.320 -8.702 -1.129 1.00 2.43 N ATOM 43 CA MET A 5 8.856 -10.022 -0.703 1.00 21.33 C ATOM 44 C MET A 5 7.785 -10.532 -1.667 1.00 43.11 C ATOM 45 O MET A 5 7.833 -11.681 -2.109 1.00 74.52 O ATOM 46 CB MET A 5 8.290 -9.974 0.732 1.00 35.12 C ATOM 47 CG MET A 5 9.328 -9.684 1.815 1.00 73.12 C ATOM 48 SD MET A 5 10.003 -8.011 1.718 1.00 24.51 S ATOM 49 CE MET A 5 11.189 -8.039 3.064 1.00 11.42 C ATOM 0 H MET A 5 8.566 -8.052 -1.349 1.00 2.43 H new ATOM 0 HA MET A 5 9.707 -10.703 -0.712 1.00 21.33 H new ATOM 0 HB2 MET A 5 7.514 -9.210 0.777 1.00 35.12 H new ATOM 0 HB3 MET A 5 7.811 -10.928 0.952 1.00 35.12 H new ATOM 0 HG2 MET A 5 8.873 -9.830 2.795 1.00 73.12 H new ATOM 0 HG3 MET A 5 10.142 -10.404 1.732 1.00 73.12 H new ATOM 0 HE1 MET A 5 11.424 -7.018 3.364 1.00 11.42 H new ATOM 0 HE2 MET A 5 10.765 -8.577 3.912 1.00 11.42 H new ATOM 0 HE3 MET A 5 12.100 -8.539 2.736 1.00 11.42 H new ATOM 59 N SER A 6 6.834 -9.654 -1.989 1.00 72.13 N ATOM 60 CA SER A 6 5.723 -9.971 -2.885 1.00 42.32 C ATOM 61 C SER A 6 4.753 -8.790 -2.901 1.00 51.25 C ATOM 62 O SER A 6 3.900 -8.665 -2.020 1.00 12.52 O ATOM 63 CB SER A 6 4.993 -11.253 -2.443 1.00 23.24 C ATOM 64 OG SER A 6 4.067 -11.682 -3.427 1.00 4.24 O ATOM 0 H SER A 6 6.814 -8.698 -1.633 1.00 72.13 H new ATOM 0 HA SER A 6 6.116 -10.148 -3.886 1.00 42.32 H new ATOM 0 HB2 SER A 6 5.721 -12.043 -2.256 1.00 23.24 H new ATOM 0 HB3 SER A 6 4.471 -11.072 -1.503 1.00 23.24 H new ATOM 0 HG SER A 6 3.619 -12.498 -3.121 1.00 4.24 H new ATOM 70 N GLU A 7 4.909 -7.913 -3.888 1.00 23.42 N ATOM 71 CA GLU A 7 4.174 -6.656 -3.929 1.00 60.22 C ATOM 72 C GLU A 7 3.735 -6.300 -5.352 1.00 72.32 C ATOM 73 O GLU A 7 4.555 -5.946 -6.199 1.00 21.22 O ATOM 74 CB GLU A 7 5.030 -5.522 -3.321 1.00 41.41 C ATOM 75 CG GLU A 7 6.450 -5.401 -3.894 1.00 5.54 C ATOM 76 CD GLU A 7 7.339 -6.597 -3.560 1.00 14.54 C ATOM 77 OE1 GLU A 7 7.676 -7.381 -4.480 1.00 43.44 O ATOM 78 OE2 GLU A 7 7.680 -6.771 -2.373 1.00 0.33 O ATOM 0 H GLU A 7 5.543 -8.053 -4.675 1.00 23.42 H new ATOM 0 HA GLU A 7 3.269 -6.777 -3.334 1.00 60.22 H new ATOM 0 HB2 GLU A 7 4.512 -4.575 -3.472 1.00 41.41 H new ATOM 0 HB3 GLU A 7 5.101 -5.678 -2.245 1.00 41.41 H new ATOM 0 HG2 GLU A 7 6.390 -5.293 -4.977 1.00 5.54 H new ATOM 0 HG3 GLU A 7 6.914 -4.493 -3.509 1.00 5.54 H new ATOM 85 N THR A 8 2.427 -6.420 -5.599 1.00 64.25 N ATOM 86 CA THR A 8 1.803 -5.982 -6.851 1.00 74.14 C ATOM 87 C THR A 8 2.152 -6.908 -8.026 1.00 64.40 C ATOM 88 O THR A 8 3.238 -7.489 -8.085 1.00 14.32 O ATOM 89 CB THR A 8 2.192 -4.520 -7.188 1.00 23.01 C ATOM 90 OG1 THR A 8 1.963 -3.684 -6.041 1.00 62.01 O ATOM 91 CG2 THR A 8 1.389 -3.987 -8.371 1.00 52.31 C ATOM 0 H THR A 8 1.769 -6.825 -4.933 1.00 64.25 H new ATOM 0 HA THR A 8 0.725 -6.032 -6.698 1.00 74.14 H new ATOM 0 HB THR A 8 3.248 -4.506 -7.459 1.00 23.01 H new ATOM 0 HG1 THR A 8 2.211 -2.760 -6.255 1.00 62.01 H new ATOM 0 HG21 THR A 8 1.687 -2.960 -8.580 1.00 52.31 H new ATOM 0 HG22 THR A 8 1.579 -4.606 -9.248 1.00 52.31 H new ATOM 0 HG23 THR A 8 0.326 -4.015 -8.131 1.00 52.31 H new ATOM 99 N SER A 9 1.207 -7.053 -8.951 1.00 64.02 N ATOM 100 CA SER A 9 1.395 -7.883 -10.135 1.00 53.51 C ATOM 101 C SER A 9 1.308 -7.009 -11.388 1.00 12.44 C ATOM 102 O SER A 9 0.290 -6.357 -11.627 1.00 21.12 O ATOM 103 CB SER A 9 0.335 -8.999 -10.167 1.00 33.34 C ATOM 104 OG SER A 9 0.566 -9.913 -11.229 1.00 74.13 O ATOM 0 H SER A 9 0.294 -6.601 -8.901 1.00 64.02 H new ATOM 0 HA SER A 9 2.379 -8.351 -10.104 1.00 53.51 H new ATOM 0 HB2 SER A 9 0.342 -9.535 -9.218 1.00 33.34 H new ATOM 0 HB3 SER A 9 -0.655 -8.557 -10.276 1.00 33.34 H new ATOM 0 HG SER A 9 -0.124 -10.608 -11.218 1.00 74.13 H new ATOM 110 N ALA A 10 2.386 -6.987 -12.168 1.00 4.05 N ATOM 111 CA ALA A 10 2.466 -6.177 -13.382 1.00 24.32 C ATOM 112 C ALA A 10 3.711 -6.559 -14.179 1.00 42.23 C ATOM 113 O ALA A 10 4.609 -7.206 -13.632 1.00 70.01 O ATOM 114 CB ALA A 10 2.488 -4.687 -13.031 1.00 12.55 C ATOM 0 H ALA A 10 3.228 -7.530 -11.977 1.00 4.05 H new ATOM 0 HA ALA A 10 1.585 -6.369 -13.994 1.00 24.32 H new ATOM 0 HB1 ALA A 10 2.548 -4.098 -13.946 1.00 12.55 H new ATOM 0 HB2 ALA A 10 1.578 -4.427 -12.491 1.00 12.55 H new ATOM 0 HB3 ALA A 10 3.354 -4.473 -12.405 1.00 12.55 H new ATOM 120 N PRO A 11 3.781 -6.180 -15.477 1.00 24.41 N ATOM 121 CA PRO A 11 4.961 -6.430 -16.315 1.00 32.22 C ATOM 122 C PRO A 11 6.266 -6.108 -15.584 1.00 3.40 C ATOM 123 O PRO A 11 6.526 -4.951 -15.250 1.00 54.10 O ATOM 124 CB PRO A 11 4.756 -5.478 -17.495 1.00 62.35 C ATOM 125 CG PRO A 11 3.275 -5.343 -17.623 1.00 4.43 C ATOM 126 CD PRO A 11 2.708 -5.493 -16.231 1.00 73.12 C ATOM 0 HA PRO A 11 5.049 -7.477 -16.604 1.00 32.22 H new ATOM 0 HB2 PRO A 11 5.227 -4.512 -17.311 1.00 62.35 H new ATOM 0 HB3 PRO A 11 5.197 -5.879 -18.408 1.00 62.35 H new ATOM 0 HG2 PRO A 11 3.009 -4.375 -18.048 1.00 4.43 H new ATOM 0 HG3 PRO A 11 2.872 -6.105 -18.290 1.00 4.43 H new ATOM 0 HD2 PRO A 11 2.469 -4.525 -15.791 1.00 73.12 H new ATOM 0 HD3 PRO A 11 1.788 -6.077 -16.236 1.00 73.12 H new ATOM 134 N ALA A 12 7.080 -7.135 -15.349 1.00 10.04 N ATOM 135 CA ALA A 12 8.293 -7.018 -14.535 1.00 20.24 C ATOM 136 C ALA A 12 9.229 -5.908 -15.025 1.00 32.33 C ATOM 137 O ALA A 12 10.070 -5.421 -14.263 1.00 1.33 O ATOM 138 CB ALA A 12 9.031 -8.350 -14.510 1.00 40.22 C ATOM 0 H ALA A 12 6.919 -8.073 -15.717 1.00 10.04 H new ATOM 0 HA ALA A 12 7.979 -6.748 -13.527 1.00 20.24 H new ATOM 0 HB1 ALA A 12 9.932 -8.256 -13.903 1.00 40.22 H new ATOM 0 HB2 ALA A 12 8.384 -9.116 -14.083 1.00 40.22 H new ATOM 0 HB3 ALA A 12 9.306 -8.633 -15.526 1.00 40.22 H new ATOM 144 N GLU A 13 9.077 -5.506 -16.284 1.00 73.42 N ATOM 145 CA GLU A 13 9.953 -4.502 -16.880 1.00 24.25 C ATOM 146 C GLU A 13 9.669 -3.122 -16.287 1.00 51.42 C ATOM 147 O GLU A 13 10.574 -2.442 -15.800 1.00 74.13 O ATOM 148 CB GLU A 13 9.765 -4.447 -18.405 1.00 40.42 C ATOM 149 CG GLU A 13 10.040 -5.762 -19.137 1.00 33.14 C ATOM 150 CD GLU A 13 8.993 -6.839 -18.881 1.00 4.22 C ATOM 151 OE1 GLU A 13 9.336 -8.038 -18.941 1.00 23.33 O ATOM 152 OE2 GLU A 13 7.818 -6.494 -18.631 1.00 51.24 O ATOM 0 H GLU A 13 8.355 -5.860 -16.911 1.00 73.42 H new ATOM 0 HA GLU A 13 10.982 -4.786 -16.658 1.00 24.25 H new ATOM 0 HB2 GLU A 13 8.742 -4.136 -18.619 1.00 40.42 H new ATOM 0 HB3 GLU A 13 10.423 -3.678 -18.810 1.00 40.42 H new ATOM 0 HG2 GLU A 13 10.092 -5.567 -20.208 1.00 33.14 H new ATOM 0 HG3 GLU A 13 11.017 -6.139 -18.833 1.00 33.14 H new ATOM 159 N GLU A 14 8.402 -2.718 -16.331 1.00 2.21 N ATOM 160 CA GLU A 14 7.983 -1.428 -15.785 1.00 64.15 C ATOM 161 C GLU A 14 7.778 -1.522 -14.274 1.00 50.12 C ATOM 162 O GLU A 14 8.015 -0.559 -13.543 1.00 24.13 O ATOM 163 CB GLU A 14 6.705 -0.939 -16.485 1.00 23.54 C ATOM 164 CG GLU A 14 5.519 -1.886 -16.361 1.00 41.14 C ATOM 165 CD GLU A 14 4.346 -1.468 -17.234 1.00 20.13 C ATOM 166 OE1 GLU A 14 3.514 -0.650 -16.784 1.00 31.30 O ATOM 167 OE2 GLU A 14 4.254 -1.953 -18.381 1.00 45.53 O ATOM 0 H GLU A 14 7.645 -3.266 -16.740 1.00 2.21 H new ATOM 0 HA GLU A 14 8.773 -0.700 -15.971 1.00 64.15 H new ATOM 0 HB2 GLU A 14 6.426 0.030 -16.070 1.00 23.54 H new ATOM 0 HB3 GLU A 14 6.921 -0.783 -17.542 1.00 23.54 H new ATOM 0 HG2 GLU A 14 5.832 -2.893 -16.637 1.00 41.14 H new ATOM 0 HG3 GLU A 14 5.197 -1.926 -15.320 1.00 41.14 H new ATOM 174 N LEU A 15 7.373 -2.710 -13.818 1.00 10.25 N ATOM 175 CA LEU A 15 7.051 -2.944 -12.412 1.00 52.54 C ATOM 176 C LEU A 15 8.219 -2.538 -11.520 1.00 23.55 C ATOM 177 O LEU A 15 8.014 -1.998 -10.436 1.00 13.52 O ATOM 178 CB LEU A 15 6.673 -4.427 -12.199 1.00 11.11 C ATOM 179 CG LEU A 15 6.085 -4.819 -10.819 1.00 14.13 C ATOM 180 CD1 LEU A 15 7.177 -4.977 -9.758 1.00 42.32 C ATOM 181 CD2 LEU A 15 5.037 -3.802 -10.362 1.00 55.25 C ATOM 0 H LEU A 15 7.260 -3.532 -14.411 1.00 10.25 H new ATOM 0 HA LEU A 15 6.195 -2.328 -12.136 1.00 52.54 H new ATOM 0 HB2 LEU A 15 5.949 -4.704 -12.965 1.00 11.11 H new ATOM 0 HB3 LEU A 15 7.565 -5.030 -12.370 1.00 11.11 H new ATOM 0 HG LEU A 15 5.600 -5.788 -10.940 1.00 14.13 H new ATOM 0 HD11 LEU A 15 6.722 -5.252 -8.806 1.00 42.32 H new ATOM 0 HD12 LEU A 15 7.874 -5.757 -10.066 1.00 42.32 H new ATOM 0 HD13 LEU A 15 7.714 -4.035 -9.645 1.00 42.32 H new ATOM 0 HD21 LEU A 15 4.640 -4.100 -9.392 1.00 55.25 H new ATOM 0 HD22 LEU A 15 5.497 -2.817 -10.279 1.00 55.25 H new ATOM 0 HD23 LEU A 15 4.226 -3.763 -11.089 1.00 55.25 H new ATOM 193 N LEU A 16 9.442 -2.785 -11.988 1.00 14.32 N ATOM 194 CA LEU A 16 10.640 -2.410 -11.237 1.00 32.21 C ATOM 195 C LEU A 16 10.621 -0.910 -10.927 1.00 73.21 C ATOM 196 O LEU A 16 10.725 -0.497 -9.766 1.00 61.50 O ATOM 197 CB LEU A 16 11.908 -2.775 -12.026 1.00 43.53 C ATOM 198 CG LEU A 16 13.239 -2.436 -11.329 1.00 64.34 C ATOM 199 CD1 LEU A 16 13.365 -3.173 -9.997 1.00 2.34 C ATOM 200 CD2 LEU A 16 14.423 -2.759 -12.240 1.00 54.52 C ATOM 0 H LEU A 16 9.629 -3.242 -12.881 1.00 14.32 H new ATOM 0 HA LEU A 16 10.648 -2.963 -10.298 1.00 32.21 H new ATOM 0 HB2 LEU A 16 11.889 -3.844 -12.237 1.00 43.53 H new ATOM 0 HB3 LEU A 16 11.879 -2.260 -12.986 1.00 43.53 H new ATOM 0 HG LEU A 16 13.247 -1.366 -11.122 1.00 64.34 H new ATOM 0 HD11 LEU A 16 14.314 -2.915 -9.527 1.00 2.34 H new ATOM 0 HD12 LEU A 16 12.544 -2.882 -9.341 1.00 2.34 H new ATOM 0 HD13 LEU A 16 13.327 -4.248 -10.171 1.00 2.34 H new ATOM 0 HD21 LEU A 16 15.353 -2.512 -11.729 1.00 54.52 H new ATOM 0 HD22 LEU A 16 14.414 -3.821 -12.485 1.00 54.52 H new ATOM 0 HD23 LEU A 16 14.347 -2.174 -13.157 1.00 54.52 H new ATOM 212 N ALA A 17 10.450 -0.106 -11.969 1.00 14.44 N ATOM 213 CA ALA A 17 10.448 1.341 -11.824 1.00 65.13 C ATOM 214 C ALA A 17 9.280 1.794 -10.954 1.00 64.10 C ATOM 215 O ALA A 17 9.472 2.495 -9.963 1.00 11.30 O ATOM 216 CB ALA A 17 10.388 2.010 -13.195 1.00 41.21 C ATOM 0 H ALA A 17 10.311 -0.434 -12.925 1.00 14.44 H new ATOM 0 HA ALA A 17 11.373 1.640 -11.332 1.00 65.13 H new ATOM 0 HB1 ALA A 17 10.387 3.093 -13.072 1.00 41.21 H new ATOM 0 HB2 ALA A 17 11.256 1.713 -13.783 1.00 41.21 H new ATOM 0 HB3 ALA A 17 9.478 1.703 -13.710 1.00 41.21 H new ATOM 222 N ASP A 18 8.079 1.346 -11.305 1.00 12.13 N ATOM 223 CA ASP A 18 6.864 1.757 -10.601 1.00 52.21 C ATOM 224 C ASP A 18 6.923 1.392 -9.119 1.00 44.34 C ATOM 225 O ASP A 18 6.576 2.210 -8.258 1.00 63.14 O ATOM 226 CB ASP A 18 5.613 1.151 -11.259 1.00 14.03 C ATOM 227 CG ASP A 18 5.255 1.844 -12.564 1.00 62.53 C ATOM 228 OD1 ASP A 18 5.550 1.295 -13.643 1.00 0.51 O ATOM 229 OD2 ASP A 18 4.688 2.959 -12.514 1.00 21.43 O ATOM 0 H ASP A 18 7.918 0.696 -12.075 1.00 12.13 H new ATOM 0 HA ASP A 18 6.798 2.843 -10.674 1.00 52.21 H new ATOM 0 HB2 ASP A 18 5.782 0.091 -11.448 1.00 14.03 H new ATOM 0 HB3 ASP A 18 4.772 1.222 -10.570 1.00 14.03 H new ATOM 234 N VAL A 19 7.378 0.178 -8.811 1.00 5.33 N ATOM 235 CA VAL A 19 7.479 -0.246 -7.420 1.00 5.53 C ATOM 236 C VAL A 19 8.552 0.573 -6.708 1.00 44.00 C ATOM 237 O VAL A 19 8.382 0.951 -5.551 1.00 21.22 O ATOM 238 CB VAL A 19 7.778 -1.765 -7.260 1.00 62.21 C ATOM 239 CG1 VAL A 19 9.217 -2.110 -7.641 1.00 23.12 C ATOM 240 CG2 VAL A 19 7.474 -2.223 -5.834 1.00 1.22 C ATOM 0 H VAL A 19 7.677 -0.517 -9.495 1.00 5.33 H new ATOM 0 HA VAL A 19 6.504 -0.071 -6.966 1.00 5.53 H new ATOM 0 HB VAL A 19 7.125 -2.300 -7.949 1.00 62.21 H new ATOM 0 HG11 VAL A 19 9.380 -3.180 -7.514 1.00 23.12 H new ATOM 0 HG12 VAL A 19 9.393 -1.837 -8.681 1.00 23.12 H new ATOM 0 HG13 VAL A 19 9.905 -1.559 -7.000 1.00 23.12 H new ATOM 0 HG21 VAL A 19 7.689 -3.288 -5.740 1.00 1.22 H new ATOM 0 HG22 VAL A 19 8.094 -1.665 -5.133 1.00 1.22 H new ATOM 0 HG23 VAL A 19 6.422 -2.044 -5.611 1.00 1.22 H new ATOM 250 N GLU A 20 9.642 0.870 -7.417 1.00 22.04 N ATOM 251 CA GLU A 20 10.716 1.690 -6.866 1.00 75.33 C ATOM 252 C GLU A 20 10.201 3.093 -6.537 1.00 25.42 C ATOM 253 O GLU A 20 10.627 3.708 -5.558 1.00 31.41 O ATOM 254 CB GLU A 20 11.896 1.754 -7.843 1.00 31.21 C ATOM 255 CG GLU A 20 13.111 2.492 -7.294 1.00 75.41 C ATOM 256 CD GLU A 20 14.324 2.394 -8.206 1.00 50.51 C ATOM 257 OE1 GLU A 20 15.240 1.595 -7.908 1.00 1.02 O ATOM 258 OE2 GLU A 20 14.373 3.118 -9.220 1.00 12.20 O ATOM 0 H GLU A 20 9.802 0.554 -8.373 1.00 22.04 H new ATOM 0 HA GLU A 20 11.066 1.231 -5.941 1.00 75.33 H new ATOM 0 HB2 GLU A 20 12.190 0.739 -8.110 1.00 31.21 H new ATOM 0 HB3 GLU A 20 11.570 2.243 -8.761 1.00 31.21 H new ATOM 0 HG2 GLU A 20 12.857 3.542 -7.147 1.00 75.41 H new ATOM 0 HG3 GLU A 20 13.365 2.086 -6.315 1.00 75.41 H new ATOM 265 N GLU A 21 9.285 3.595 -7.364 1.00 35.02 N ATOM 266 CA GLU A 21 8.659 4.893 -7.124 1.00 70.24 C ATOM 267 C GLU A 21 7.797 4.842 -5.865 1.00 35.32 C ATOM 268 O GLU A 21 7.938 5.675 -4.969 1.00 43.30 O ATOM 269 CB GLU A 21 7.796 5.312 -8.325 1.00 1.21 C ATOM 270 CG GLU A 21 8.546 5.349 -9.648 1.00 25.24 C ATOM 271 CD GLU A 21 9.717 6.313 -9.639 1.00 1.44 C ATOM 272 OE1 GLU A 21 10.838 5.904 -9.268 1.00 23.52 O ATOM 273 OE2 GLU A 21 9.526 7.487 -10.014 1.00 61.34 O ATOM 0 H GLU A 21 8.960 3.121 -8.207 1.00 35.02 H new ATOM 0 HA GLU A 21 9.451 5.630 -6.987 1.00 70.24 H new ATOM 0 HB2 GLU A 21 6.958 4.621 -8.414 1.00 1.21 H new ATOM 0 HB3 GLU A 21 7.376 6.299 -8.130 1.00 1.21 H new ATOM 0 HG2 GLU A 21 8.908 4.348 -9.882 1.00 25.24 H new ATOM 0 HG3 GLU A 21 7.856 5.632 -10.443 1.00 25.24 H new ATOM 280 N ALA A 22 6.919 3.842 -5.795 1.00 53.42 N ATOM 281 CA ALA A 22 6.036 3.671 -4.640 1.00 55.12 C ATOM 282 C ALA A 22 6.853 3.493 -3.360 1.00 42.21 C ATOM 283 O ALA A 22 6.524 4.048 -2.315 1.00 65.13 O ATOM 284 CB ALA A 22 5.103 2.484 -4.855 1.00 33.54 C ATOM 0 H ALA A 22 6.800 3.138 -6.523 1.00 53.42 H new ATOM 0 HA ALA A 22 5.429 4.570 -4.533 1.00 55.12 H new ATOM 0 HB1 ALA A 22 4.453 2.370 -3.987 1.00 33.54 H new ATOM 0 HB2 ALA A 22 4.495 2.655 -5.744 1.00 33.54 H new ATOM 0 HB3 ALA A 22 5.693 1.577 -4.988 1.00 33.54 H new ATOM 290 N MET A 23 7.947 2.742 -3.472 1.00 52.31 N ATOM 291 CA MET A 23 8.847 2.486 -2.344 1.00 62.24 C ATOM 292 C MET A 23 9.412 3.783 -1.766 1.00 12.22 C ATOM 293 O MET A 23 10.025 3.768 -0.710 1.00 23.03 O ATOM 294 CB MET A 23 9.989 1.540 -2.757 1.00 72.51 C ATOM 295 CG MET A 23 9.556 0.087 -2.926 1.00 71.32 C ATOM 296 SD MET A 23 8.970 -0.649 -1.384 1.00 21.22 S ATOM 297 CE MET A 23 8.541 -2.301 -1.933 1.00 43.34 C ATOM 0 H MET A 23 8.236 2.295 -4.342 1.00 52.31 H new ATOM 0 HA MET A 23 8.259 2.003 -1.564 1.00 62.24 H new ATOM 0 HB2 MET A 23 10.419 1.892 -3.695 1.00 72.51 H new ATOM 0 HB3 MET A 23 10.778 1.589 -2.006 1.00 72.51 H new ATOM 0 HG2 MET A 23 8.765 0.033 -3.674 1.00 71.32 H new ATOM 0 HG3 MET A 23 10.395 -0.496 -3.306 1.00 71.32 H new ATOM 0 HE1 MET A 23 8.367 -2.939 -1.066 1.00 43.34 H new ATOM 0 HE2 MET A 23 7.637 -2.259 -2.540 1.00 43.34 H new ATOM 0 HE3 MET A 23 9.358 -2.711 -2.527 1.00 43.34 H new ATOM 307 N ARG A 24 9.246 4.896 -2.480 1.00 64.20 N ATOM 308 CA ARG A 24 9.736 6.196 -2.009 1.00 1.45 C ATOM 309 C ARG A 24 8.835 6.775 -0.913 1.00 33.34 C ATOM 310 O ARG A 24 9.300 7.559 -0.079 1.00 61.51 O ATOM 311 CB ARG A 24 9.827 7.182 -3.186 1.00 72.14 C ATOM 312 CG ARG A 24 10.464 8.535 -2.848 1.00 30.35 C ATOM 313 CD ARG A 24 11.982 8.442 -2.699 1.00 41.32 C ATOM 314 NE ARG A 24 12.387 7.650 -1.534 1.00 45.24 N ATOM 315 CZ ARG A 24 13.451 6.845 -1.511 1.00 72.11 C ATOM 316 NH1 ARG A 24 14.208 6.708 -2.594 1.00 22.53 N ATOM 317 NH2 ARG A 24 13.763 6.185 -0.405 1.00 33.22 N ATOM 0 H ARG A 24 8.777 4.926 -3.385 1.00 64.20 H new ATOM 0 HA ARG A 24 10.727 6.044 -1.583 1.00 1.45 H new ATOM 0 HB2 ARG A 24 10.401 6.717 -3.987 1.00 72.14 H new ATOM 0 HB3 ARG A 24 8.823 7.356 -3.573 1.00 72.14 H new ATOM 0 HG2 ARG A 24 10.222 9.254 -3.631 1.00 30.35 H new ATOM 0 HG3 ARG A 24 10.033 8.915 -1.922 1.00 30.35 H new ATOM 0 HD2 ARG A 24 12.405 7.998 -3.600 1.00 41.32 H new ATOM 0 HD3 ARG A 24 12.397 9.446 -2.613 1.00 41.32 H new ATOM 0 HE ARG A 24 11.820 7.718 -0.689 1.00 45.24 H new ATOM 0 HH11 ARG A 24 13.977 7.219 -3.446 1.00 22.53 H new ATOM 0 HH12 ARG A 24 15.021 6.092 -2.574 1.00 22.53 H new ATOM 0 HH21 ARG A 24 13.189 6.292 0.432 1.00 33.22 H new ATOM 0 HH22 ARG A 24 14.577 5.570 -0.390 1.00 33.22 H new ATOM 331 N ASP A 25 7.557 6.382 -0.894 1.00 3.00 N ATOM 332 CA ASP A 25 6.600 6.943 0.071 1.00 43.24 C ATOM 333 C ASP A 25 6.040 5.835 0.949 1.00 63.10 C ATOM 334 O ASP A 25 5.690 6.057 2.110 1.00 44.03 O ATOM 335 CB ASP A 25 5.467 7.723 -0.631 1.00 70.10 C ATOM 336 CG ASP A 25 4.766 6.943 -1.738 1.00 12.00 C ATOM 337 OD1 ASP A 25 5.031 7.234 -2.927 1.00 13.44 O ATOM 338 OD2 ASP A 25 3.946 6.062 -1.427 1.00 44.15 O ATOM 0 H ASP A 25 7.163 5.686 -1.527 1.00 3.00 H new ATOM 0 HA ASP A 25 7.132 7.657 0.700 1.00 43.24 H new ATOM 0 HB2 ASP A 25 4.728 8.018 0.114 1.00 70.10 H new ATOM 0 HB3 ASP A 25 5.879 8.640 -1.052 1.00 70.10 H new ATOM 343 N VAL A 26 6.015 4.636 0.393 1.00 30.34 N ATOM 344 CA VAL A 26 5.617 3.438 1.103 1.00 51.43 C ATOM 345 C VAL A 26 6.806 2.916 1.933 1.00 23.44 C ATOM 346 O VAL A 26 7.181 1.741 1.870 1.00 14.22 O ATOM 347 CB VAL A 26 5.136 2.380 0.073 1.00 15.41 C ATOM 348 CG1 VAL A 26 4.697 1.104 0.751 1.00 24.32 C ATOM 349 CG2 VAL A 26 4.003 2.939 -0.791 1.00 25.15 C ATOM 0 H VAL A 26 6.275 4.468 -0.579 1.00 30.34 H new ATOM 0 HA VAL A 26 4.797 3.653 1.788 1.00 51.43 H new ATOM 0 HB VAL A 26 5.983 2.143 -0.570 1.00 15.41 H new ATOM 0 HG11 VAL A 26 4.367 0.387 -0.001 1.00 24.32 H new ATOM 0 HG12 VAL A 26 5.532 0.684 1.311 1.00 24.32 H new ATOM 0 HG13 VAL A 26 3.874 1.319 1.433 1.00 24.32 H new ATOM 0 HG21 VAL A 26 3.682 2.181 -1.505 1.00 25.15 H new ATOM 0 HG22 VAL A 26 3.163 3.217 -0.154 1.00 25.15 H new ATOM 0 HG23 VAL A 26 4.356 3.818 -1.330 1.00 25.15 H new ATOM 359 N VAL A 27 7.393 3.809 2.725 1.00 2.31 N ATOM 360 CA VAL A 27 8.604 3.501 3.478 1.00 71.35 C ATOM 361 C VAL A 27 8.933 4.629 4.452 1.00 23.34 C ATOM 362 O VAL A 27 8.414 5.743 4.327 1.00 34.32 O ATOM 363 CB VAL A 27 9.816 3.318 2.519 1.00 72.24 C ATOM 364 CG1 VAL A 27 10.238 4.662 1.922 1.00 32.32 C ATOM 365 CG2 VAL A 27 10.995 2.646 3.219 1.00 22.42 C ATOM 0 H VAL A 27 7.046 4.758 2.862 1.00 2.31 H new ATOM 0 HA VAL A 27 8.422 2.577 4.026 1.00 71.35 H new ATOM 0 HB VAL A 27 9.498 2.661 1.710 1.00 72.24 H new ATOM 0 HG11 VAL A 27 11.087 4.513 1.254 1.00 32.32 H new ATOM 0 HG12 VAL A 27 9.406 5.089 1.362 1.00 32.32 H new ATOM 0 HG13 VAL A 27 10.522 5.343 2.724 1.00 32.32 H new ATOM 0 HG21 VAL A 27 11.821 2.536 2.516 1.00 22.42 H new ATOM 0 HG22 VAL A 27 11.315 3.259 4.062 1.00 22.42 H new ATOM 0 HG23 VAL A 27 10.692 1.663 3.579 1.00 22.42 H new ATOM 375 N ASP A 28 9.782 4.329 5.424 1.00 34.32 N ATOM 376 CA ASP A 28 10.439 5.355 6.220 1.00 34.04 C ATOM 377 C ASP A 28 11.912 5.365 5.826 1.00 31.00 C ATOM 378 O ASP A 28 12.715 4.604 6.374 1.00 3.22 O ATOM 379 CB ASP A 28 10.290 5.094 7.728 1.00 35.41 C ATOM 380 CG ASP A 28 10.920 6.200 8.576 1.00 61.42 C ATOM 381 OD1 ASP A 28 10.184 7.102 9.029 1.00 40.23 O ATOM 382 OD2 ASP A 28 12.153 6.172 8.786 1.00 35.44 O ATOM 0 H ASP A 28 10.034 3.375 5.682 1.00 34.32 H new ATOM 0 HA ASP A 28 9.974 6.321 6.025 1.00 34.04 H new ATOM 0 HB2 ASP A 28 9.232 5.008 7.976 1.00 35.41 H new ATOM 0 HB3 ASP A 28 10.755 4.140 7.977 1.00 35.41 H new ATOM 387 N PRO A 29 12.285 6.196 4.834 1.00 70.03 N ATOM 388 CA PRO A 29 13.642 6.209 4.303 1.00 33.15 C ATOM 389 C PRO A 29 14.589 7.008 5.191 1.00 1.24 C ATOM 390 O PRO A 29 15.792 7.082 4.931 1.00 65.32 O ATOM 391 CB PRO A 29 13.475 6.857 2.919 1.00 20.11 C ATOM 392 CG PRO A 29 12.243 7.706 3.009 1.00 73.25 C ATOM 393 CD PRO A 29 11.421 7.200 4.176 1.00 33.11 C ATOM 0 HA PRO A 29 14.086 5.215 4.254 1.00 33.15 H new ATOM 0 HB2 PRO A 29 14.346 7.459 2.662 1.00 20.11 H new ATOM 0 HB3 PRO A 29 13.371 6.099 2.143 1.00 20.11 H new ATOM 0 HG2 PRO A 29 12.509 8.753 3.154 1.00 73.25 H new ATOM 0 HG3 PRO A 29 11.670 7.648 2.084 1.00 73.25 H new ATOM 0 HD2 PRO A 29 11.163 8.009 4.859 1.00 33.11 H new ATOM 0 HD3 PRO A 29 10.484 6.756 3.838 1.00 33.11 H new ATOM 401 N GLU A 30 14.030 7.613 6.231 1.00 72.12 N ATOM 402 CA GLU A 30 14.804 8.388 7.189 1.00 34.34 C ATOM 403 C GLU A 30 15.695 7.463 8.012 1.00 22.14 C ATOM 404 O GLU A 30 16.920 7.616 8.037 1.00 20.43 O ATOM 405 CB GLU A 30 13.860 9.195 8.089 1.00 13.30 C ATOM 406 CG GLU A 30 12.795 9.963 7.309 1.00 63.45 C ATOM 407 CD GLU A 30 13.383 10.859 6.228 1.00 31.54 C ATOM 408 OE1 GLU A 30 13.578 10.383 5.088 1.00 74.22 O ATOM 409 OE2 GLU A 30 13.647 12.047 6.510 1.00 65.05 O ATOM 0 H GLU A 30 13.031 7.580 6.433 1.00 72.12 H new ATOM 0 HA GLU A 30 15.447 9.088 6.655 1.00 34.34 H new ATOM 0 HB2 GLU A 30 13.371 8.519 8.790 1.00 13.30 H new ATOM 0 HB3 GLU A 30 14.446 9.899 8.681 1.00 13.30 H new ATOM 0 HG2 GLU A 30 12.106 9.254 6.851 1.00 63.45 H new ATOM 0 HG3 GLU A 30 12.213 10.571 8.001 1.00 63.45 H new ATOM 416 N LEU A 31 15.066 6.502 8.683 1.00 50.41 N ATOM 417 CA LEU A 31 15.787 5.478 9.435 1.00 25.10 C ATOM 418 C LEU A 31 16.073 4.275 8.534 1.00 1.24 C ATOM 419 O LEU A 31 16.913 3.426 8.852 1.00 3.35 O ATOM 420 CB LEU A 31 14.993 5.043 10.682 1.00 73.55 C ATOM 421 CG LEU A 31 14.850 6.099 11.799 1.00 30.43 C ATOM 422 CD1 LEU A 31 16.217 6.613 12.243 1.00 1.11 C ATOM 423 CD2 LEU A 31 13.950 7.256 11.365 1.00 72.41 C ATOM 0 H LEU A 31 14.051 6.411 8.721 1.00 50.41 H new ATOM 0 HA LEU A 31 16.733 5.901 9.774 1.00 25.10 H new ATOM 0 HB2 LEU A 31 13.995 4.742 10.365 1.00 73.55 H new ATOM 0 HB3 LEU A 31 15.474 4.160 11.104 1.00 73.55 H new ATOM 0 HG LEU A 31 14.375 5.612 12.651 1.00 30.43 H new ATOM 0 HD11 LEU A 31 16.088 7.356 13.030 1.00 1.11 H new ATOM 0 HD12 LEU A 31 16.813 5.782 12.621 1.00 1.11 H new ATOM 0 HD13 LEU A 31 16.728 7.069 11.395 1.00 1.11 H new ATOM 0 HD21 LEU A 31 13.872 7.980 12.176 1.00 72.41 H new ATOM 0 HD22 LEU A 31 14.377 7.740 10.486 1.00 72.41 H new ATOM 0 HD23 LEU A 31 12.958 6.874 11.123 1.00 72.41 H new ATOM 435 N GLY A 32 15.357 4.205 7.414 1.00 11.44 N ATOM 436 CA GLY A 32 15.639 3.205 6.397 1.00 45.23 C ATOM 437 C GLY A 32 14.913 1.894 6.621 1.00 32.33 C ATOM 438 O GLY A 32 15.478 0.821 6.401 1.00 34.13 O ATOM 0 H GLY A 32 14.581 4.828 7.192 1.00 11.44 H new ATOM 0 HA2 GLY A 32 15.362 3.603 5.421 1.00 45.23 H new ATOM 0 HA3 GLY A 32 16.712 3.017 6.371 1.00 45.23 H new ATOM 442 N ILE A 33 13.652 1.966 7.037 1.00 2.22 N ATOM 443 CA ILE A 33 12.850 0.760 7.242 1.00 2.25 C ATOM 444 C ILE A 33 11.600 0.798 6.370 1.00 44.40 C ATOM 445 O ILE A 33 10.968 1.844 6.208 1.00 2.53 O ATOM 446 CB ILE A 33 12.446 0.530 8.729 1.00 55.12 C ATOM 447 CG1 ILE A 33 11.600 1.696 9.291 1.00 54.21 C ATOM 448 CG2 ILE A 33 13.689 0.295 9.585 1.00 73.32 C ATOM 449 CD1 ILE A 33 12.400 2.902 9.738 1.00 45.01 C ATOM 0 H ILE A 33 13.165 2.839 7.238 1.00 2.22 H new ATOM 0 HA ILE A 33 13.484 -0.078 6.953 1.00 2.25 H new ATOM 0 HB ILE A 33 11.819 -0.361 8.765 1.00 55.12 H new ATOM 0 HG12 ILE A 33 10.889 2.012 8.527 1.00 54.21 H new ATOM 0 HG13 ILE A 33 11.018 1.330 10.137 1.00 54.21 H new ATOM 0 HG21 ILE A 33 13.392 0.136 10.622 1.00 73.32 H new ATOM 0 HG22 ILE A 33 14.221 -0.584 9.221 1.00 73.32 H new ATOM 0 HG23 ILE A 33 14.342 1.165 9.524 1.00 73.32 H new ATOM 0 HD11 ILE A 33 11.723 3.668 10.117 1.00 45.01 H new ATOM 0 HD12 ILE A 33 13.092 2.607 10.527 1.00 45.01 H new ATOM 0 HD13 ILE A 33 12.961 3.300 8.893 1.00 45.01 H new ATOM 461 N ASN A 34 11.256 -0.352 5.815 1.00 22.42 N ATOM 462 CA ASN A 34 10.137 -0.478 4.884 1.00 61.42 C ATOM 463 C ASN A 34 9.065 -1.386 5.468 1.00 70.23 C ATOM 464 O ASN A 34 9.285 -2.575 5.635 1.00 42.24 O ATOM 465 CB ASN A 34 10.638 -1.023 3.534 1.00 43.44 C ATOM 466 CG ASN A 34 11.664 -2.137 3.693 1.00 24.31 C ATOM 467 OD1 ASN A 34 12.864 -1.878 3.777 1.00 74.35 O ATOM 468 ND2 ASN A 34 11.206 -3.377 3.753 1.00 23.42 N ATOM 0 H ASN A 34 11.744 -1.230 5.995 1.00 22.42 H new ATOM 0 HA ASN A 34 9.697 0.506 4.720 1.00 61.42 H new ATOM 0 HB2 ASN A 34 9.790 -1.396 2.960 1.00 43.44 H new ATOM 0 HB3 ASN A 34 11.079 -0.208 2.959 1.00 43.44 H new ATOM 0 HD21 ASN A 34 11.855 -4.155 3.872 1.00 23.42 H new ATOM 0 HD22 ASN A 34 10.204 -3.555 3.680 1.00 23.42 H new ATOM 475 N VAL A 35 7.893 -0.816 5.736 1.00 32.24 N ATOM 476 CA VAL A 35 6.808 -1.513 6.439 1.00 55.31 C ATOM 477 C VAL A 35 6.571 -2.934 5.894 1.00 64.24 C ATOM 478 O VAL A 35 6.218 -3.849 6.644 1.00 41.11 O ATOM 479 CB VAL A 35 5.490 -0.696 6.352 1.00 72.33 C ATOM 480 CG1 VAL A 35 4.363 -1.373 7.134 1.00 55.21 C ATOM 481 CG2 VAL A 35 5.713 0.736 6.849 1.00 4.33 C ATOM 0 H VAL A 35 7.664 0.143 5.474 1.00 32.24 H new ATOM 0 HA VAL A 35 7.117 -1.604 7.480 1.00 55.31 H new ATOM 0 HB VAL A 35 5.188 -0.656 5.305 1.00 72.33 H new ATOM 0 HG11 VAL A 35 3.455 -0.776 7.053 1.00 55.21 H new ATOM 0 HG12 VAL A 35 4.182 -2.367 6.724 1.00 55.21 H new ATOM 0 HG13 VAL A 35 4.648 -1.459 8.182 1.00 55.21 H new ATOM 0 HG21 VAL A 35 4.779 1.294 6.781 1.00 4.33 H new ATOM 0 HG22 VAL A 35 6.048 0.713 7.886 1.00 4.33 H new ATOM 0 HG23 VAL A 35 6.471 1.221 6.234 1.00 4.33 H new ATOM 491 N VAL A 36 6.797 -3.120 4.595 1.00 21.15 N ATOM 492 CA VAL A 36 6.564 -4.414 3.946 1.00 32.22 C ATOM 493 C VAL A 36 7.375 -5.547 4.599 1.00 32.54 C ATOM 494 O VAL A 36 6.974 -6.713 4.545 1.00 74.33 O ATOM 495 CB VAL A 36 6.882 -4.359 2.428 1.00 45.11 C ATOM 496 CG1 VAL A 36 5.981 -3.347 1.720 1.00 22.34 C ATOM 497 CG2 VAL A 36 8.357 -4.040 2.186 1.00 21.52 C ATOM 0 H VAL A 36 7.141 -2.392 3.969 1.00 21.15 H new ATOM 0 HA VAL A 36 5.504 -4.630 4.078 1.00 32.22 H new ATOM 0 HB VAL A 36 6.681 -5.344 2.007 1.00 45.11 H new ATOM 0 HG11 VAL A 36 6.222 -3.326 0.657 1.00 22.34 H new ATOM 0 HG12 VAL A 36 4.938 -3.635 1.850 1.00 22.34 H new ATOM 0 HG13 VAL A 36 6.140 -2.357 2.148 1.00 22.34 H new ATOM 0 HG21 VAL A 36 8.551 -4.008 1.114 1.00 21.52 H new ATOM 0 HG22 VAL A 36 8.597 -3.073 2.627 1.00 21.52 H new ATOM 0 HG23 VAL A 36 8.976 -4.812 2.644 1.00 21.52 H new ATOM 507 N ASP A 37 8.492 -5.199 5.247 1.00 22.05 N ATOM 508 CA ASP A 37 9.383 -6.200 5.845 1.00 12.13 C ATOM 509 C ASP A 37 8.746 -6.843 7.074 1.00 21.21 C ATOM 510 O ASP A 37 9.204 -7.889 7.541 1.00 62.25 O ATOM 511 CB ASP A 37 10.771 -5.610 6.191 1.00 61.41 C ATOM 512 CG ASP A 37 10.784 -4.615 7.353 1.00 1.44 C ATOM 513 OD1 ASP A 37 10.430 -4.997 8.486 1.00 52.23 O ATOM 514 OD2 ASP A 37 11.215 -3.456 7.150 1.00 33.21 O ATOM 0 H ASP A 37 8.800 -4.235 5.371 1.00 22.05 H new ATOM 0 HA ASP A 37 9.537 -6.975 5.095 1.00 12.13 H new ATOM 0 HB2 ASP A 37 11.448 -6.431 6.429 1.00 61.41 H new ATOM 0 HB3 ASP A 37 11.169 -5.115 5.305 1.00 61.41 H new ATOM 519 N LEU A 38 7.687 -6.220 7.598 1.00 52.44 N ATOM 520 CA LEU A 38 6.915 -6.817 8.690 1.00 22.13 C ATOM 521 C LEU A 38 6.262 -8.119 8.212 1.00 51.11 C ATOM 522 O LEU A 38 5.826 -8.945 9.013 1.00 31.54 O ATOM 523 CB LEU A 38 5.847 -5.837 9.211 1.00 71.45 C ATOM 524 CG LEU A 38 6.348 -4.745 10.182 1.00 55.32 C ATOM 525 CD1 LEU A 38 7.423 -3.871 9.539 1.00 72.15 C ATOM 526 CD2 LEU A 38 5.180 -3.888 10.671 1.00 53.44 C ATOM 0 H LEU A 38 7.347 -5.310 7.287 1.00 52.44 H new ATOM 0 HA LEU A 38 7.593 -7.040 9.514 1.00 22.13 H new ATOM 0 HB2 LEU A 38 5.382 -5.349 8.355 1.00 71.45 H new ATOM 0 HB3 LEU A 38 5.068 -6.412 9.712 1.00 71.45 H new ATOM 0 HG LEU A 38 6.799 -5.245 11.039 1.00 55.32 H new ATOM 0 HD11 LEU A 38 7.751 -3.114 10.252 1.00 72.15 H new ATOM 0 HD12 LEU A 38 8.272 -4.491 9.251 1.00 72.15 H new ATOM 0 HD13 LEU A 38 7.014 -3.383 8.654 1.00 72.15 H new ATOM 0 HD21 LEU A 38 5.551 -3.124 11.354 1.00 53.44 H new ATOM 0 HD22 LEU A 38 4.698 -3.410 9.818 1.00 53.44 H new ATOM 0 HD23 LEU A 38 4.458 -4.519 11.189 1.00 53.44 H new ATOM 538 N GLY A 39 6.200 -8.275 6.889 1.00 1.24 N ATOM 539 CA GLY A 39 5.684 -9.486 6.277 1.00 43.33 C ATOM 540 C GLY A 39 4.215 -9.727 6.563 1.00 11.03 C ATOM 541 O GLY A 39 3.736 -10.857 6.462 1.00 65.52 O ATOM 0 H GLY A 39 6.505 -7.567 6.221 1.00 1.24 H new ATOM 0 HA2 GLY A 39 5.832 -9.431 5.199 1.00 43.33 H new ATOM 0 HA3 GLY A 39 6.261 -10.339 6.635 1.00 43.33 H new ATOM 545 N LEU A 40 3.488 -8.665 6.893 1.00 3.12 N ATOM 546 CA LEU A 40 2.036 -8.740 7.017 1.00 14.11 C ATOM 547 C LEU A 40 1.427 -8.242 5.710 1.00 40.44 C ATOM 548 O LEU A 40 0.392 -8.734 5.259 1.00 74.43 O ATOM 549 CB LEU A 40 1.560 -7.908 8.229 1.00 14.02 C ATOM 550 CG LEU A 40 0.099 -8.123 8.696 1.00 71.23 C ATOM 551 CD1 LEU A 40 -0.897 -7.434 7.769 1.00 50.21 C ATOM 552 CD2 LEU A 40 -0.232 -9.610 8.812 1.00 33.21 C ATOM 0 H LEU A 40 3.880 -7.742 7.080 1.00 3.12 H new ATOM 0 HA LEU A 40 1.714 -9.766 7.193 1.00 14.11 H new ATOM 0 HB2 LEU A 40 2.220 -8.124 9.069 1.00 14.02 H new ATOM 0 HB3 LEU A 40 1.687 -6.853 7.987 1.00 14.02 H new ATOM 0 HG LEU A 40 0.012 -7.670 9.683 1.00 71.23 H new ATOM 0 HD11 LEU A 40 -1.911 -7.608 8.130 1.00 50.21 H new ATOM 0 HD12 LEU A 40 -0.697 -6.363 7.752 1.00 50.21 H new ATOM 0 HD13 LEU A 40 -0.796 -7.838 6.762 1.00 50.21 H new ATOM 0 HD21 LEU A 40 -1.264 -9.728 9.142 1.00 33.21 H new ATOM 0 HD22 LEU A 40 -0.104 -10.088 7.841 1.00 33.21 H new ATOM 0 HD23 LEU A 40 0.436 -10.076 9.536 1.00 33.21 H new ATOM 564 N VAL A 41 2.133 -7.305 5.074 1.00 41.23 N ATOM 565 CA VAL A 41 1.724 -6.746 3.785 1.00 42.31 C ATOM 566 C VAL A 41 1.737 -7.833 2.702 1.00 43.50 C ATOM 567 O VAL A 41 1.297 -7.616 1.574 1.00 62.24 O ATOM 568 CB VAL A 41 2.659 -5.576 3.372 1.00 63.45 C ATOM 569 CG1 VAL A 41 2.145 -4.863 2.116 1.00 62.41 C ATOM 570 CG2 VAL A 41 2.823 -4.583 4.525 1.00 31.24 C ATOM 0 H VAL A 41 3.002 -6.914 5.437 1.00 41.23 H new ATOM 0 HA VAL A 41 0.709 -6.361 3.888 1.00 42.31 H new ATOM 0 HB VAL A 41 3.635 -6.000 3.137 1.00 63.45 H new ATOM 0 HG11 VAL A 41 2.823 -4.050 1.856 1.00 62.41 H new ATOM 0 HG12 VAL A 41 2.095 -5.572 1.290 1.00 62.41 H new ATOM 0 HG13 VAL A 41 1.151 -4.459 2.308 1.00 62.41 H new ATOM 0 HG21 VAL A 41 3.481 -3.771 4.215 1.00 31.24 H new ATOM 0 HG22 VAL A 41 1.849 -4.176 4.796 1.00 31.24 H new ATOM 0 HG23 VAL A 41 3.256 -5.093 5.386 1.00 31.24 H new ATOM 580 N TYR A 42 2.252 -9.012 3.066 1.00 51.13 N ATOM 581 CA TYR A 42 2.221 -10.181 2.192 1.00 61.41 C ATOM 582 C TYR A 42 0.775 -10.495 1.804 1.00 43.05 C ATOM 583 O TYR A 42 0.517 -11.114 0.769 1.00 52.31 O ATOM 584 CB TYR A 42 2.866 -11.388 2.894 1.00 24.43 C ATOM 585 CG TYR A 42 2.910 -12.652 2.050 1.00 25.00 C ATOM 586 CD1 TYR A 42 3.947 -12.872 1.149 1.00 25.12 C ATOM 587 CD2 TYR A 42 1.919 -13.625 2.157 1.00 33.44 C ATOM 588 CE1 TYR A 42 3.996 -14.020 0.380 1.00 33.31 C ATOM 589 CE2 TYR A 42 1.962 -14.775 1.391 1.00 2.54 C ATOM 590 CZ TYR A 42 3.000 -14.968 0.506 1.00 3.01 C ATOM 591 OH TYR A 42 3.044 -16.115 -0.260 1.00 0.02 O ATOM 0 H TYR A 42 2.698 -9.179 3.968 1.00 51.13 H new ATOM 0 HA TYR A 42 2.791 -9.967 1.288 1.00 61.41 H new ATOM 0 HB2 TYR A 42 3.883 -11.124 3.185 1.00 24.43 H new ATOM 0 HB3 TYR A 42 2.316 -11.597 3.812 1.00 24.43 H new ATOM 0 HD1 TYR A 42 4.728 -12.133 1.048 1.00 25.12 H new ATOM 0 HD2 TYR A 42 1.104 -13.479 2.850 1.00 33.44 H new ATOM 0 HE1 TYR A 42 4.808 -14.174 -0.315 1.00 33.31 H new ATOM 0 HE2 TYR A 42 1.185 -15.519 1.486 1.00 2.54 H new ATOM 0 HH TYR A 42 2.270 -16.679 -0.050 1.00 0.02 H new ATOM 601 N GLY A 43 -0.161 -10.067 2.655 1.00 32.21 N ATOM 602 CA GLY A 43 -1.573 -10.171 2.334 1.00 2.13 C ATOM 603 C GLY A 43 -1.970 -9.157 1.281 1.00 25.34 C ATOM 604 O GLY A 43 -2.698 -8.201 1.556 1.00 35.43 O ATOM 0 H GLY A 43 0.039 -9.649 3.564 1.00 32.21 H new ATOM 0 HA2 GLY A 43 -1.795 -11.177 1.976 1.00 2.13 H new ATOM 0 HA3 GLY A 43 -2.166 -10.015 3.235 1.00 2.13 H new ATOM 608 N LEU A 44 -1.461 -9.352 0.073 1.00 22.13 N ATOM 609 CA LEU A 44 -1.707 -8.436 -1.029 1.00 61.50 C ATOM 610 C LEU A 44 -2.270 -9.214 -2.213 1.00 60.43 C ATOM 611 O LEU A 44 -1.635 -10.150 -2.711 1.00 2.24 O ATOM 612 CB LEU A 44 -0.396 -7.713 -1.407 1.00 3.01 C ATOM 613 CG LEU A 44 -0.529 -6.428 -2.254 1.00 53.13 C ATOM 614 CD1 LEU A 44 0.788 -5.654 -2.254 1.00 35.25 C ATOM 615 CD2 LEU A 44 -0.954 -6.746 -3.688 1.00 40.53 C ATOM 0 H LEU A 44 -0.869 -10.146 -0.169 1.00 22.13 H new ATOM 0 HA LEU A 44 -2.436 -7.681 -0.733 1.00 61.50 H new ATOM 0 HB2 LEU A 44 0.130 -7.460 -0.487 1.00 3.01 H new ATOM 0 HB3 LEU A 44 0.235 -8.415 -1.952 1.00 3.01 H new ATOM 0 HG LEU A 44 -1.306 -5.810 -1.803 1.00 53.13 H new ATOM 0 HD11 LEU A 44 0.679 -4.751 -2.855 1.00 35.25 H new ATOM 0 HD12 LEU A 44 1.049 -5.380 -1.232 1.00 35.25 H new ATOM 0 HD13 LEU A 44 1.576 -6.278 -2.676 1.00 35.25 H new ATOM 0 HD21 LEU A 44 -1.038 -5.820 -4.256 1.00 40.53 H new ATOM 0 HD22 LEU A 44 -0.209 -7.391 -4.154 1.00 40.53 H new ATOM 0 HD23 LEU A 44 -1.918 -7.254 -3.678 1.00 40.53 H new ATOM 627 N ASP A 45 -3.460 -8.826 -2.653 1.00 12.32 N ATOM 628 CA ASP A 45 -4.121 -9.461 -3.783 1.00 71.45 C ATOM 629 C ASP A 45 -4.831 -8.400 -4.613 1.00 71.33 C ATOM 630 O ASP A 45 -5.767 -7.756 -4.142 1.00 13.45 O ATOM 631 CB ASP A 45 -5.126 -10.519 -3.302 1.00 41.41 C ATOM 632 CG ASP A 45 -5.879 -11.173 -4.451 1.00 32.13 C ATOM 633 OD1 ASP A 45 -7.067 -10.847 -4.665 1.00 55.43 O ATOM 634 OD2 ASP A 45 -5.285 -12.022 -5.152 1.00 62.13 O ATOM 0 H ASP A 45 -3.993 -8.063 -2.236 1.00 12.32 H new ATOM 0 HA ASP A 45 -3.371 -9.961 -4.396 1.00 71.45 H new ATOM 0 HB2 ASP A 45 -4.598 -11.286 -2.735 1.00 41.41 H new ATOM 0 HB3 ASP A 45 -5.840 -10.054 -2.622 1.00 41.41 H new ATOM 639 N VAL A 46 -4.360 -8.181 -5.830 1.00 21.22 N ATOM 640 CA VAL A 46 -4.997 -7.230 -6.728 1.00 73.21 C ATOM 641 C VAL A 46 -5.818 -7.989 -7.764 1.00 1.12 C ATOM 642 O VAL A 46 -5.405 -9.050 -8.238 1.00 10.35 O ATOM 643 CB VAL A 46 -3.963 -6.307 -7.430 1.00 24.31 C ATOM 644 CG1 VAL A 46 -3.044 -5.654 -6.402 1.00 70.41 C ATOM 645 CG2 VAL A 46 -3.144 -7.067 -8.460 1.00 72.41 C ATOM 0 H VAL A 46 -3.540 -8.648 -6.219 1.00 21.22 H new ATOM 0 HA VAL A 46 -5.648 -6.587 -6.135 1.00 73.21 H new ATOM 0 HB VAL A 46 -4.519 -5.529 -7.953 1.00 24.31 H new ATOM 0 HG11 VAL A 46 -2.326 -5.011 -6.912 1.00 70.41 H new ATOM 0 HG12 VAL A 46 -3.638 -5.057 -5.710 1.00 70.41 H new ATOM 0 HG13 VAL A 46 -2.510 -6.427 -5.849 1.00 70.41 H new ATOM 0 HG21 VAL A 46 -2.432 -6.389 -8.930 1.00 72.41 H new ATOM 0 HG22 VAL A 46 -2.605 -7.877 -7.970 1.00 72.41 H new ATOM 0 HG23 VAL A 46 -3.808 -7.480 -9.220 1.00 72.41 H new ATOM 655 N GLN A 47 -6.989 -7.468 -8.087 1.00 35.44 N ATOM 656 CA GLN A 47 -7.883 -8.111 -9.038 1.00 1.52 C ATOM 657 C GLN A 47 -8.167 -7.179 -10.209 1.00 73.25 C ATOM 658 O GLN A 47 -8.690 -6.077 -10.026 1.00 74.43 O ATOM 659 CB GLN A 47 -9.190 -8.507 -8.333 1.00 40.12 C ATOM 660 CG GLN A 47 -8.995 -9.567 -7.255 1.00 34.23 C ATOM 661 CD GLN A 47 -10.233 -9.792 -6.406 1.00 71.54 C ATOM 662 OE1 GLN A 47 -11.364 -9.616 -6.866 1.00 22.21 O ATOM 663 NE2 GLN A 47 -10.022 -10.175 -5.155 1.00 64.23 N ATOM 0 H GLN A 47 -7.346 -6.594 -7.701 1.00 35.44 H new ATOM 0 HA GLN A 47 -7.406 -9.011 -9.426 1.00 1.52 H new ATOM 0 HB2 GLN A 47 -9.636 -7.620 -7.884 1.00 40.12 H new ATOM 0 HB3 GLN A 47 -9.897 -8.879 -9.075 1.00 40.12 H new ATOM 0 HG2 GLN A 47 -8.710 -10.507 -7.727 1.00 34.23 H new ATOM 0 HG3 GLN A 47 -8.168 -9.271 -6.609 1.00 34.23 H new ATOM 0 HE21 GLN A 47 -9.069 -10.309 -4.816 1.00 64.23 H new ATOM 0 HE22 GLN A 47 -10.812 -10.336 -4.531 1.00 64.23 H new ATOM 672 N ASP A 48 -7.813 -7.628 -11.407 1.00 25.35 N ATOM 673 CA ASP A 48 -8.098 -6.886 -12.627 1.00 52.33 C ATOM 674 C ASP A 48 -9.410 -7.375 -13.230 1.00 41.22 C ATOM 675 O ASP A 48 -9.441 -8.311 -14.031 1.00 4.05 O ATOM 676 CB ASP A 48 -6.935 -7.007 -13.630 1.00 33.14 C ATOM 677 CG ASP A 48 -6.571 -8.448 -13.977 1.00 44.45 C ATOM 678 OD1 ASP A 48 -6.091 -9.181 -13.083 1.00 1.45 O ATOM 679 OD2 ASP A 48 -6.736 -8.848 -15.151 1.00 3.45 O ATOM 0 H ASP A 48 -7.324 -8.510 -11.559 1.00 25.35 H new ATOM 0 HA ASP A 48 -8.203 -5.829 -12.384 1.00 52.33 H new ATOM 0 HB2 ASP A 48 -7.200 -6.478 -14.545 1.00 33.14 H new ATOM 0 HB3 ASP A 48 -6.058 -6.509 -13.217 1.00 33.14 H new ATOM 684 N GLY A 49 -10.502 -6.763 -12.790 1.00 40.41 N ATOM 685 CA GLY A 49 -11.821 -7.148 -13.248 1.00 42.33 C ATOM 686 C GLY A 49 -12.262 -6.334 -14.441 1.00 44.12 C ATOM 687 O GLY A 49 -11.747 -5.238 -14.678 1.00 50.13 O ATOM 0 H GLY A 49 -10.495 -5.998 -12.116 1.00 40.41 H new ATOM 0 HA2 GLY A 49 -11.820 -8.206 -13.511 1.00 42.33 H new ATOM 0 HA3 GLY A 49 -12.538 -7.022 -12.437 1.00 42.33 H new ATOM 691 N ASP A 50 -13.221 -6.862 -15.191 1.00 4.22 N ATOM 692 CA ASP A 50 -13.721 -6.202 -16.394 1.00 12.41 C ATOM 693 C ASP A 50 -14.453 -4.911 -16.037 1.00 74.31 C ATOM 694 O ASP A 50 -14.583 -4.010 -16.868 1.00 51.33 O ATOM 695 CB ASP A 50 -14.654 -7.140 -17.169 1.00 60.04 C ATOM 696 CG ASP A 50 -13.960 -8.423 -17.599 1.00 63.12 C ATOM 697 OD1 ASP A 50 -13.872 -9.365 -16.778 1.00 41.35 O ATOM 698 OD2 ASP A 50 -13.501 -8.505 -18.754 1.00 2.53 O ATOM 0 H ASP A 50 -13.673 -7.753 -14.986 1.00 4.22 H new ATOM 0 HA ASP A 50 -12.868 -5.953 -17.025 1.00 12.41 H new ATOM 0 HB2 ASP A 50 -15.515 -7.387 -16.548 1.00 60.04 H new ATOM 0 HB3 ASP A 50 -15.034 -6.623 -18.050 1.00 60.04 H new ATOM 703 N GLU A 51 -14.939 -4.832 -14.803 1.00 23.03 N ATOM 704 CA GLU A 51 -15.611 -3.632 -14.314 1.00 61.53 C ATOM 705 C GLU A 51 -14.583 -2.612 -13.825 1.00 43.21 C ATOM 706 O GLU A 51 -14.732 -1.409 -14.045 1.00 54.53 O ATOM 707 CB GLU A 51 -16.600 -3.993 -13.195 1.00 12.22 C ATOM 708 CG GLU A 51 -17.417 -2.807 -12.685 1.00 43.02 C ATOM 709 CD GLU A 51 -18.530 -3.217 -11.730 1.00 12.53 C ATOM 710 OE1 GLU A 51 -19.580 -3.697 -12.205 1.00 11.04 O ATOM 711 OE2 GLU A 51 -18.369 -3.048 -10.503 1.00 22.12 O ATOM 0 H GLU A 51 -14.880 -5.588 -14.120 1.00 23.03 H new ATOM 0 HA GLU A 51 -16.173 -3.184 -15.134 1.00 61.53 H new ATOM 0 HB2 GLU A 51 -17.282 -4.761 -13.560 1.00 12.22 H new ATOM 0 HB3 GLU A 51 -16.048 -4.427 -12.361 1.00 12.22 H new ATOM 0 HG2 GLU A 51 -16.753 -2.106 -12.180 1.00 43.02 H new ATOM 0 HG3 GLU A 51 -17.851 -2.280 -13.535 1.00 43.02 H new ATOM 718 N GLY A 52 -13.530 -3.105 -13.180 1.00 0.12 N ATOM 719 CA GLY A 52 -12.484 -2.234 -12.679 1.00 20.01 C ATOM 720 C GLY A 52 -11.337 -3.010 -12.062 1.00 53.35 C ATOM 721 O GLY A 52 -11.507 -4.165 -11.662 1.00 55.54 O ATOM 0 H GLY A 52 -13.383 -4.097 -12.995 1.00 0.12 H new ATOM 0 HA2 GLY A 52 -12.106 -1.617 -13.494 1.00 20.01 H new ATOM 0 HA3 GLY A 52 -12.903 -1.557 -11.935 1.00 20.01 H new ATOM 725 N THR A 53 -10.166 -2.383 -11.994 1.00 3.11 N ATOM 726 CA THR A 53 -8.989 -2.999 -11.393 1.00 1.33 C ATOM 727 C THR A 53 -8.781 -2.457 -9.976 1.00 64.24 C ATOM 728 O THR A 53 -8.600 -1.250 -9.784 1.00 61.53 O ATOM 729 CB THR A 53 -7.729 -2.731 -12.253 1.00 51.42 C ATOM 730 OG1 THR A 53 -8.015 -3.011 -13.630 1.00 42.34 O ATOM 731 CG2 THR A 53 -6.557 -3.592 -11.797 1.00 31.03 C ATOM 0 H THR A 53 -10.007 -1.441 -12.351 1.00 3.11 H new ATOM 0 HA THR A 53 -9.150 -4.076 -11.345 1.00 1.33 H new ATOM 0 HB THR A 53 -7.455 -1.683 -12.134 1.00 51.42 H new ATOM 0 HG1 THR A 53 -7.217 -2.839 -14.172 1.00 42.34 H new ATOM 0 HG21 THR A 53 -5.687 -3.382 -12.419 1.00 31.03 H new ATOM 0 HG22 THR A 53 -6.322 -3.366 -10.757 1.00 31.03 H new ATOM 0 HG23 THR A 53 -6.822 -4.645 -11.888 1.00 31.03 H new ATOM 739 N VAL A 54 -8.826 -3.349 -8.986 1.00 52.22 N ATOM 740 CA VAL A 54 -8.714 -2.960 -7.578 1.00 52.52 C ATOM 741 C VAL A 54 -7.550 -3.688 -6.909 1.00 71.42 C ATOM 742 O VAL A 54 -7.283 -4.850 -7.211 1.00 61.13 O ATOM 743 CB VAL A 54 -10.025 -3.270 -6.804 1.00 61.11 C ATOM 744 CG1 VAL A 54 -9.921 -2.835 -5.342 1.00 64.04 C ATOM 745 CG2 VAL A 54 -11.222 -2.605 -7.480 1.00 40.22 C ATOM 0 H VAL A 54 -8.940 -4.352 -9.134 1.00 52.22 H new ATOM 0 HA VAL A 54 -8.534 -1.885 -7.550 1.00 52.52 H new ATOM 0 HB VAL A 54 -10.175 -4.349 -6.822 1.00 61.11 H new ATOM 0 HG11 VAL A 54 -10.854 -3.065 -4.827 1.00 64.04 H new ATOM 0 HG12 VAL A 54 -9.100 -3.367 -4.862 1.00 64.04 H new ATOM 0 HG13 VAL A 54 -9.735 -1.762 -5.294 1.00 64.04 H new ATOM 0 HG21 VAL A 54 -12.129 -2.835 -6.922 1.00 40.22 H new ATOM 0 HG22 VAL A 54 -11.074 -1.525 -7.502 1.00 40.22 H new ATOM 0 HG23 VAL A 54 -11.318 -2.979 -8.499 1.00 40.22 H new ATOM 755 N ALA A 55 -6.859 -2.994 -6.010 1.00 42.42 N ATOM 756 CA ALA A 55 -5.751 -3.576 -5.256 1.00 10.43 C ATOM 757 C ALA A 55 -6.158 -3.787 -3.797 1.00 43.05 C ATOM 758 O ALA A 55 -6.503 -2.830 -3.100 1.00 32.42 O ATOM 759 CB ALA A 55 -4.529 -2.668 -5.333 1.00 34.43 C ATOM 0 H ALA A 55 -7.049 -2.018 -5.784 1.00 42.42 H new ATOM 0 HA ALA A 55 -5.500 -4.542 -5.693 1.00 10.43 H new ATOM 0 HB1 ALA A 55 -3.710 -3.112 -4.767 1.00 34.43 H new ATOM 0 HB2 ALA A 55 -4.229 -2.549 -6.374 1.00 34.43 H new ATOM 0 HB3 ALA A 55 -4.773 -1.693 -4.912 1.00 34.43 H new ATOM 765 N LEU A 56 -6.137 -5.036 -3.341 1.00 63.44 N ATOM 766 CA LEU A 56 -6.470 -5.355 -1.953 1.00 12.32 C ATOM 767 C LEU A 56 -5.186 -5.577 -1.159 1.00 20.21 C ATOM 768 O LEU A 56 -4.382 -6.440 -1.506 1.00 64.33 O ATOM 769 CB LEU A 56 -7.352 -6.613 -1.889 1.00 4.42 C ATOM 770 CG LEU A 56 -8.534 -6.627 -2.871 1.00 41.51 C ATOM 771 CD1 LEU A 56 -9.269 -7.965 -2.818 1.00 72.33 C ATOM 772 CD2 LEU A 56 -9.491 -5.465 -2.594 1.00 52.25 C ATOM 0 H LEU A 56 -5.893 -5.846 -3.912 1.00 63.44 H new ATOM 0 HA LEU A 56 -7.024 -4.522 -1.520 1.00 12.32 H new ATOM 0 HB2 LEU A 56 -6.728 -7.486 -2.082 1.00 4.42 H new ATOM 0 HB3 LEU A 56 -7.740 -6.716 -0.875 1.00 4.42 H new ATOM 0 HG LEU A 56 -8.137 -6.500 -3.878 1.00 41.51 H new ATOM 0 HD11 LEU A 56 -10.101 -7.951 -3.522 1.00 72.33 H new ATOM 0 HD12 LEU A 56 -8.582 -8.768 -3.085 1.00 72.33 H new ATOM 0 HD13 LEU A 56 -9.649 -8.132 -1.810 1.00 72.33 H new ATOM 0 HD21 LEU A 56 -10.318 -5.498 -3.303 1.00 52.25 H new ATOM 0 HD22 LEU A 56 -9.879 -5.548 -1.579 1.00 52.25 H new ATOM 0 HD23 LEU A 56 -8.958 -4.521 -2.703 1.00 52.25 H new ATOM 784 N ILE A 57 -4.987 -4.790 -0.109 1.00 53.24 N ATOM 785 CA ILE A 57 -3.792 -4.897 0.727 1.00 1.34 C ATOM 786 C ILE A 57 -4.196 -5.094 2.183 1.00 63.40 C ATOM 787 O ILE A 57 -5.143 -4.468 2.653 1.00 15.31 O ATOM 788 CB ILE A 57 -2.898 -3.633 0.609 1.00 32.44 C ATOM 789 CG1 ILE A 57 -2.535 -3.365 -0.862 1.00 0.54 C ATOM 790 CG2 ILE A 57 -1.633 -3.784 1.457 1.00 53.32 C ATOM 791 CD1 ILE A 57 -1.697 -2.121 -1.073 1.00 53.40 C ATOM 0 H ILE A 57 -5.641 -4.065 0.187 1.00 53.24 H new ATOM 0 HA ILE A 57 -3.218 -5.756 0.378 1.00 1.34 H new ATOM 0 HB ILE A 57 -3.461 -2.779 0.986 1.00 32.44 H new ATOM 0 HG12 ILE A 57 -1.994 -4.226 -1.255 1.00 0.54 H new ATOM 0 HG13 ILE A 57 -3.454 -3.274 -1.442 1.00 0.54 H new ATOM 0 HG21 ILE A 57 -1.021 -2.887 1.360 1.00 53.32 H new ATOM 0 HG22 ILE A 57 -1.910 -3.923 2.502 1.00 53.32 H new ATOM 0 HG23 ILE A 57 -1.066 -4.649 1.114 1.00 53.32 H new ATOM 0 HD11 ILE A 57 -1.483 -2.002 -2.135 1.00 53.40 H new ATOM 0 HD12 ILE A 57 -2.243 -1.249 -0.713 1.00 53.40 H new ATOM 0 HD13 ILE A 57 -0.761 -2.215 -0.523 1.00 53.40 H new ATOM 803 N ASP A 58 -3.497 -5.974 2.887 1.00 31.21 N ATOM 804 CA ASP A 58 -3.774 -6.235 4.297 1.00 51.21 C ATOM 805 C ASP A 58 -2.623 -5.731 5.158 1.00 42.14 C ATOM 806 O ASP A 58 -1.477 -6.149 4.982 1.00 62.50 O ATOM 807 CB ASP A 58 -4.009 -7.735 4.528 1.00 72.51 C ATOM 808 CG ASP A 58 -5.299 -8.218 3.881 1.00 43.21 C ATOM 809 OD1 ASP A 58 -5.254 -9.033 2.935 1.00 63.51 O ATOM 810 OD2 ASP A 58 -6.374 -7.767 4.306 1.00 42.20 O ATOM 0 H ASP A 58 -2.728 -6.524 2.503 1.00 31.21 H new ATOM 0 HA ASP A 58 -4.680 -5.701 4.583 1.00 51.21 H new ATOM 0 HB2 ASP A 58 -3.168 -8.300 4.125 1.00 72.51 H new ATOM 0 HB3 ASP A 58 -4.044 -7.936 5.599 1.00 72.51 H new ATOM 815 N MET A 59 -2.922 -4.809 6.075 1.00 75.41 N ATOM 816 CA MET A 59 -1.893 -4.207 6.930 1.00 15.22 C ATOM 817 C MET A 59 -2.401 -3.996 8.355 1.00 24.44 C ATOM 818 O MET A 59 -3.585 -4.192 8.648 1.00 34.40 O ATOM 819 CB MET A 59 -1.379 -2.873 6.357 1.00 14.21 C ATOM 820 CG MET A 59 -0.676 -2.998 5.006 1.00 65.13 C ATOM 821 SD MET A 59 0.509 -1.666 4.705 1.00 23.31 S ATOM 822 CE MET A 59 -0.502 -0.217 4.995 1.00 24.51 C ATOM 0 H MET A 59 -3.866 -4.462 6.246 1.00 75.41 H new ATOM 0 HA MET A 59 -1.062 -4.912 6.956 1.00 15.22 H new ATOM 0 HB2 MET A 59 -2.220 -2.187 6.254 1.00 14.21 H new ATOM 0 HB3 MET A 59 -0.689 -2.426 7.072 1.00 14.21 H new ATOM 0 HG2 MET A 59 -0.158 -3.956 4.959 1.00 65.13 H new ATOM 0 HG3 MET A 59 -1.423 -3.000 4.212 1.00 65.13 H new ATOM 0 HE1 MET A 59 0.059 0.678 4.726 1.00 24.51 H new ATOM 0 HE2 MET A 59 -1.405 -0.276 4.387 1.00 24.51 H new ATOM 0 HE3 MET A 59 -0.777 -0.170 6.049 1.00 24.51 H new ATOM 832 N THR A 60 -1.478 -3.626 9.237 1.00 62.35 N ATOM 833 CA THR A 60 -1.799 -3.286 10.613 1.00 63.14 C ATOM 834 C THR A 60 -0.740 -2.337 11.177 1.00 35.04 C ATOM 835 O THR A 60 0.428 -2.400 10.786 1.00 74.54 O ATOM 836 CB THR A 60 -1.902 -4.546 11.508 1.00 40.13 C ATOM 837 OG1 THR A 60 -2.341 -4.182 12.824 1.00 60.32 O ATOM 838 CG2 THR A 60 -0.568 -5.286 11.600 1.00 63.31 C ATOM 0 H THR A 60 -0.485 -3.554 9.014 1.00 62.35 H new ATOM 0 HA THR A 60 -2.772 -2.795 10.613 1.00 63.14 H new ATOM 0 HB THR A 60 -2.629 -5.216 11.049 1.00 40.13 H new ATOM 0 HG1 THR A 60 -3.158 -4.676 13.045 1.00 60.32 H new ATOM 0 HG21 THR A 60 -0.682 -6.164 12.236 1.00 63.31 H new ATOM 0 HG22 THR A 60 -0.256 -5.598 10.604 1.00 63.31 H new ATOM 0 HG23 THR A 60 0.186 -4.624 12.026 1.00 63.31 H new ATOM 846 N LEU A 61 -1.160 -1.440 12.066 1.00 11.42 N ATOM 847 CA LEU A 61 -0.243 -0.528 12.745 1.00 51.53 C ATOM 848 C LEU A 61 -0.131 -0.942 14.212 1.00 64.43 C ATOM 849 O LEU A 61 -1.098 -1.441 14.781 1.00 23.31 O ATOM 850 CB LEU A 61 -0.727 0.932 12.621 1.00 22.41 C ATOM 851 CG LEU A 61 -0.877 1.457 11.177 1.00 44.04 C ATOM 852 CD1 LEU A 61 -1.368 2.902 11.163 1.00 61.44 C ATOM 853 CD2 LEU A 61 0.436 1.331 10.405 1.00 35.40 C ATOM 0 H LEU A 61 -2.137 -1.325 12.334 1.00 11.42 H new ATOM 0 HA LEU A 61 0.739 -0.586 12.276 1.00 51.53 H new ATOM 0 HB2 LEU A 61 -1.689 1.022 13.125 1.00 22.41 H new ATOM 0 HB3 LEU A 61 -0.027 1.576 13.153 1.00 22.41 H new ATOM 0 HG LEU A 61 -1.625 0.839 10.681 1.00 44.04 H new ATOM 0 HD11 LEU A 61 -1.464 3.244 10.132 1.00 61.44 H new ATOM 0 HD12 LEU A 61 -2.338 2.961 11.657 1.00 61.44 H new ATOM 0 HD13 LEU A 61 -0.653 3.534 11.690 1.00 61.44 H new ATOM 0 HD21 LEU A 61 0.300 1.708 9.392 1.00 35.40 H new ATOM 0 HD22 LEU A 61 1.210 1.911 10.907 1.00 35.40 H new ATOM 0 HD23 LEU A 61 0.735 0.284 10.365 1.00 35.40 H new ATOM 865 N THR A 62 1.036 -0.698 14.812 1.00 73.23 N ATOM 866 CA THR A 62 1.391 -1.209 16.146 1.00 31.30 C ATOM 867 C THR A 62 0.197 -1.288 17.119 1.00 32.43 C ATOM 868 O THR A 62 -0.027 -2.322 17.755 1.00 2.02 O ATOM 869 CB THR A 62 2.507 -0.340 16.769 1.00 12.13 C ATOM 870 OG1 THR A 62 3.606 -0.237 15.847 1.00 1.12 O ATOM 871 CG2 THR A 62 3.003 -0.926 18.089 1.00 12.22 C ATOM 0 H THR A 62 1.771 -0.135 14.385 1.00 73.23 H new ATOM 0 HA THR A 62 1.740 -2.230 15.994 1.00 31.30 H new ATOM 0 HB THR A 62 2.093 0.648 16.972 1.00 12.13 H new ATOM 0 HG1 THR A 62 4.313 0.315 16.241 1.00 1.12 H new ATOM 0 HG21 THR A 62 3.787 -0.289 18.498 1.00 12.22 H new ATOM 0 HG22 THR A 62 2.175 -0.982 18.796 1.00 12.22 H new ATOM 0 HG23 THR A 62 3.401 -1.926 17.916 1.00 12.22 H new ATOM 879 N SER A 63 -0.565 -0.201 17.236 1.00 24.24 N ATOM 880 CA SER A 63 -1.718 -0.172 18.142 1.00 34.14 C ATOM 881 C SER A 63 -3.018 0.090 17.376 1.00 31.22 C ATOM 882 O SER A 63 -4.093 0.159 17.973 1.00 73.34 O ATOM 883 CB SER A 63 -1.510 0.898 19.225 1.00 11.05 C ATOM 884 OG SER A 63 -2.554 0.878 20.187 1.00 41.25 O ATOM 0 H SER A 63 -0.409 0.665 16.721 1.00 24.24 H new ATOM 0 HA SER A 63 -1.802 -1.149 18.618 1.00 34.14 H new ATOM 0 HB2 SER A 63 -0.554 0.733 19.722 1.00 11.05 H new ATOM 0 HB3 SER A 63 -1.462 1.883 18.760 1.00 11.05 H new ATOM 0 HG SER A 63 -3.393 0.618 19.753 1.00 41.25 H new ATOM 890 N ALA A 64 -2.906 0.241 16.056 1.00 51.41 N ATOM 891 CA ALA A 64 -4.052 0.541 15.188 1.00 31.05 C ATOM 892 C ALA A 64 -4.732 1.865 15.559 1.00 10.02 C ATOM 893 O ALA A 64 -5.787 2.201 15.018 1.00 22.11 O ATOM 894 CB ALA A 64 -5.061 -0.600 15.224 1.00 63.42 C ATOM 0 H ALA A 64 -2.021 0.159 15.556 1.00 51.41 H new ATOM 0 HA ALA A 64 -3.667 0.648 14.174 1.00 31.05 H new ATOM 0 HB1 ALA A 64 -5.904 -0.361 14.575 1.00 63.42 H new ATOM 0 HB2 ALA A 64 -4.585 -1.518 14.878 1.00 63.42 H new ATOM 0 HB3 ALA A 64 -5.417 -0.739 16.245 1.00 63.42 H new ATOM 900 N ALA A 65 -4.109 2.617 16.462 1.00 40.10 N ATOM 901 CA ALA A 65 -4.606 3.931 16.864 1.00 2.11 C ATOM 902 C ALA A 65 -3.726 5.020 16.261 1.00 1.12 C ATOM 903 O ALA A 65 -4.009 6.209 16.382 1.00 2.45 O ATOM 904 CB ALA A 65 -4.638 4.043 18.387 1.00 34.04 C ATOM 0 H ALA A 65 -3.250 2.335 16.934 1.00 40.10 H new ATOM 0 HA ALA A 65 -5.623 4.058 16.494 1.00 2.11 H new ATOM 0 HB1 ALA A 65 -5.010 5.027 18.672 1.00 34.04 H new ATOM 0 HB2 ALA A 65 -5.295 3.275 18.795 1.00 34.04 H new ATOM 0 HB3 ALA A 65 -3.632 3.907 18.783 1.00 34.04 H new ATOM 910 N CYS A 66 -2.652 4.584 15.607 1.00 31.51 N ATOM 911 CA CYS A 66 -1.711 5.486 14.963 1.00 52.00 C ATOM 912 C CYS A 66 -2.398 6.220 13.808 1.00 44.20 C ATOM 913 O CYS A 66 -2.988 5.582 12.932 1.00 33.51 O ATOM 914 CB CYS A 66 -0.509 4.686 14.448 1.00 42.45 C ATOM 915 SG CYS A 66 0.192 3.553 15.672 1.00 62.23 S ATOM 0 H CYS A 66 -2.413 3.597 15.511 1.00 31.51 H new ATOM 0 HA CYS A 66 -1.363 6.225 15.685 1.00 52.00 H new ATOM 0 HB2 CYS A 66 -0.813 4.115 13.571 1.00 42.45 H new ATOM 0 HB3 CYS A 66 0.266 5.381 14.124 1.00 42.45 H new ATOM 0 HG CYS A 66 1.199 2.919 15.150 1.00 62.23 H new ATOM 921 N PRO A 67 -2.311 7.563 13.774 1.00 44.13 N ATOM 922 CA PRO A 67 -3.016 8.382 12.774 1.00 42.21 C ATOM 923 C PRO A 67 -2.410 8.272 11.370 1.00 21.23 C ATOM 924 O PRO A 67 -2.682 9.100 10.502 1.00 40.54 O ATOM 925 CB PRO A 67 -2.863 9.807 13.322 1.00 41.30 C ATOM 926 CG PRO A 67 -1.594 9.775 14.102 1.00 14.22 C ATOM 927 CD PRO A 67 -1.517 8.394 14.706 1.00 71.41 C ATOM 0 HA PRO A 67 -4.050 8.063 12.646 1.00 42.21 H new ATOM 0 HB2 PRO A 67 -2.814 10.539 12.516 1.00 41.30 H new ATOM 0 HB3 PRO A 67 -3.709 10.083 13.952 1.00 41.30 H new ATOM 0 HG2 PRO A 67 -0.735 9.969 13.460 1.00 14.22 H new ATOM 0 HG3 PRO A 67 -1.592 10.541 14.877 1.00 14.22 H new ATOM 0 HD2 PRO A 67 -0.487 8.044 14.777 1.00 71.41 H new ATOM 0 HD3 PRO A 67 -1.931 8.373 15.714 1.00 71.41 H new ATOM 935 N LEU A 68 -1.600 7.241 11.151 1.00 11.40 N ATOM 936 CA LEU A 68 -0.939 7.035 9.865 1.00 20.13 C ATOM 937 C LEU A 68 -1.841 6.272 8.894 1.00 14.10 C ATOM 938 O LEU A 68 -1.444 6.002 7.762 1.00 14.33 O ATOM 939 CB LEU A 68 0.392 6.279 10.047 1.00 52.24 C ATOM 940 CG LEU A 68 1.534 7.064 10.729 1.00 62.51 C ATOM 941 CD1 LEU A 68 1.813 8.373 9.991 1.00 41.02 C ATOM 942 CD2 LEU A 68 1.225 7.326 12.205 1.00 62.12 C ATOM 0 H LEU A 68 -1.384 6.531 11.851 1.00 11.40 H new ATOM 0 HA LEU A 68 -0.732 8.019 9.443 1.00 20.13 H new ATOM 0 HB2 LEU A 68 0.198 5.379 10.631 1.00 52.24 H new ATOM 0 HB3 LEU A 68 0.738 5.954 9.066 1.00 52.24 H new ATOM 0 HG LEU A 68 2.433 6.449 10.682 1.00 62.51 H new ATOM 0 HD11 LEU A 68 2.621 8.907 10.491 1.00 41.02 H new ATOM 0 HD12 LEU A 68 2.103 8.156 8.963 1.00 41.02 H new ATOM 0 HD13 LEU A 68 0.915 8.990 9.993 1.00 41.02 H new ATOM 0 HD21 LEU A 68 2.048 7.880 12.656 1.00 62.12 H new ATOM 0 HD22 LEU A 68 0.307 7.908 12.287 1.00 62.12 H new ATOM 0 HD23 LEU A 68 1.099 6.376 12.725 1.00 62.12 H new ATOM 954 N THR A 69 -3.052 5.929 9.337 1.00 71.33 N ATOM 955 CA THR A 69 -3.994 5.183 8.503 1.00 25.25 C ATOM 956 C THR A 69 -4.291 5.950 7.202 1.00 60.02 C ATOM 957 O THR A 69 -4.017 5.453 6.106 1.00 65.24 O ATOM 958 CB THR A 69 -5.300 4.846 9.290 1.00 52.01 C ATOM 959 OG1 THR A 69 -6.173 4.017 8.508 1.00 32.33 O ATOM 960 CG2 THR A 69 -6.051 6.098 9.739 1.00 2.45 C ATOM 0 H THR A 69 -3.403 6.156 10.268 1.00 71.33 H new ATOM 0 HA THR A 69 -3.533 4.234 8.229 1.00 25.25 H new ATOM 0 HB THR A 69 -4.988 4.304 10.183 1.00 52.01 H new ATOM 0 HG1 THR A 69 -5.738 3.156 8.334 1.00 32.33 H new ATOM 0 HG21 THR A 69 -6.951 5.808 10.281 1.00 2.45 H new ATOM 0 HG22 THR A 69 -5.411 6.692 10.391 1.00 2.45 H new ATOM 0 HG23 THR A 69 -6.328 6.689 8.866 1.00 2.45 H new ATOM 968 N ASP A 70 -4.775 7.185 7.324 1.00 1.14 N ATOM 969 CA ASP A 70 -5.120 7.995 6.156 1.00 40.34 C ATOM 970 C ASP A 70 -3.857 8.376 5.388 1.00 32.33 C ATOM 971 O ASP A 70 -3.896 8.616 4.183 1.00 55.33 O ATOM 972 CB ASP A 70 -5.888 9.253 6.593 1.00 70.03 C ATOM 973 CG ASP A 70 -6.084 10.271 5.473 1.00 44.31 C ATOM 974 OD1 ASP A 70 -7.042 10.129 4.683 1.00 10.41 O ATOM 975 OD2 ASP A 70 -5.287 11.233 5.391 1.00 52.13 O ATOM 0 H ASP A 70 -4.937 7.647 8.219 1.00 1.14 H new ATOM 0 HA ASP A 70 -5.761 7.410 5.497 1.00 40.34 H new ATOM 0 HB2 ASP A 70 -6.864 8.957 6.978 1.00 70.03 H new ATOM 0 HB3 ASP A 70 -5.352 9.728 7.415 1.00 70.03 H new ATOM 980 N VAL A 71 -2.730 8.411 6.096 1.00 75.42 N ATOM 981 CA VAL A 71 -1.453 8.741 5.479 1.00 22.33 C ATOM 982 C VAL A 71 -1.019 7.633 4.519 1.00 41.33 C ATOM 983 O VAL A 71 -0.755 7.892 3.343 1.00 53.12 O ATOM 984 CB VAL A 71 -0.352 8.979 6.544 1.00 1.33 C ATOM 985 CG1 VAL A 71 0.982 9.326 5.885 1.00 73.53 C ATOM 986 CG2 VAL A 71 -0.775 10.078 7.521 1.00 33.52 C ATOM 0 H VAL A 71 -2.678 8.215 7.096 1.00 75.42 H new ATOM 0 HA VAL A 71 -1.589 9.666 4.919 1.00 22.33 H new ATOM 0 HB VAL A 71 -0.219 8.054 7.105 1.00 1.33 H new ATOM 0 HG11 VAL A 71 1.737 9.488 6.655 1.00 73.53 H new ATOM 0 HG12 VAL A 71 1.293 8.505 5.239 1.00 73.53 H new ATOM 0 HG13 VAL A 71 0.869 10.233 5.291 1.00 73.53 H new ATOM 0 HG21 VAL A 71 0.011 10.230 8.260 1.00 33.52 H new ATOM 0 HG22 VAL A 71 -0.943 11.006 6.974 1.00 33.52 H new ATOM 0 HG23 VAL A 71 -1.695 9.782 8.025 1.00 33.52 H new ATOM 996 N ILE A 72 -0.991 6.393 5.006 1.00 21.23 N ATOM 997 CA ILE A 72 -0.561 5.271 4.181 1.00 62.51 C ATOM 998 C ILE A 72 -1.587 4.984 3.087 1.00 33.32 C ATOM 999 O ILE A 72 -1.225 4.588 1.979 1.00 65.11 O ATOM 1000 CB ILE A 72 -0.268 3.994 5.028 1.00 2.24 C ATOM 1001 CG1 ILE A 72 -1.517 3.497 5.786 1.00 52.32 C ATOM 1002 CG2 ILE A 72 0.878 4.258 6.005 1.00 63.42 C ATOM 1003 CD1 ILE A 72 -2.446 2.631 4.959 1.00 51.22 C ATOM 0 H ILE A 72 -1.259 6.144 5.958 1.00 21.23 H new ATOM 0 HA ILE A 72 0.378 5.556 3.708 1.00 62.51 H new ATOM 0 HB ILE A 72 0.024 3.205 4.335 1.00 2.24 H new ATOM 0 HG12 ILE A 72 -1.195 2.932 6.661 1.00 52.32 H new ATOM 0 HG13 ILE A 72 -2.073 4.360 6.151 1.00 52.32 H new ATOM 0 HG21 ILE A 72 1.072 3.359 6.590 1.00 63.42 H new ATOM 0 HG22 ILE A 72 1.775 4.530 5.449 1.00 63.42 H new ATOM 0 HG23 ILE A 72 0.605 5.074 6.674 1.00 63.42 H new ATOM 0 HD11 ILE A 72 -3.297 2.325 5.568 1.00 51.22 H new ATOM 0 HD12 ILE A 72 -2.801 3.197 4.098 1.00 51.22 H new ATOM 0 HD13 ILE A 72 -1.909 1.747 4.616 1.00 51.22 H new ATOM 1015 N GLU A 73 -2.872 5.198 3.396 1.00 14.32 N ATOM 1016 CA GLU A 73 -3.935 5.024 2.408 1.00 35.14 C ATOM 1017 C GLU A 73 -3.779 6.039 1.280 1.00 40.54 C ATOM 1018 O GLU A 73 -3.880 5.691 0.102 1.00 42.21 O ATOM 1019 CB GLU A 73 -5.320 5.159 3.061 1.00 63.42 C ATOM 1020 CG GLU A 73 -5.690 3.985 3.962 1.00 75.14 C ATOM 1021 CD GLU A 73 -7.067 4.137 4.601 1.00 10.15 C ATOM 1022 OE1 GLU A 73 -8.079 3.988 3.879 1.00 1.40 O ATOM 1023 OE2 GLU A 73 -7.135 4.401 5.824 1.00 71.33 O ATOM 0 H GLU A 73 -3.196 5.490 4.318 1.00 14.32 H new ATOM 0 HA GLU A 73 -3.853 4.020 1.992 1.00 35.14 H new ATOM 0 HB2 GLU A 73 -5.348 6.078 3.647 1.00 63.42 H new ATOM 0 HB3 GLU A 73 -6.073 5.257 2.279 1.00 63.42 H new ATOM 0 HG2 GLU A 73 -5.665 3.064 3.379 1.00 75.14 H new ATOM 0 HG3 GLU A 73 -4.940 3.885 4.747 1.00 75.14 H new ATOM 1030 N ASP A 74 -3.518 7.291 1.649 1.00 43.20 N ATOM 1031 CA ASP A 74 -3.332 8.358 0.668 1.00 33.22 C ATOM 1032 C ASP A 74 -2.129 8.073 -0.223 1.00 40.32 C ATOM 1033 O ASP A 74 -2.234 8.107 -1.449 1.00 62.52 O ATOM 1034 CB ASP A 74 -3.141 9.708 1.370 1.00 4.34 C ATOM 1035 CG ASP A 74 -2.899 10.846 0.391 1.00 25.11 C ATOM 1036 OD1 ASP A 74 -3.883 11.394 -0.146 1.00 52.04 O ATOM 1037 OD2 ASP A 74 -1.725 11.202 0.156 1.00 4.42 O ATOM 0 H ASP A 74 -3.431 7.592 2.620 1.00 43.20 H new ATOM 0 HA ASP A 74 -4.228 8.400 0.048 1.00 33.22 H new ATOM 0 HB2 ASP A 74 -4.024 9.930 1.969 1.00 4.34 H new ATOM 0 HB3 ASP A 74 -2.298 9.640 2.058 1.00 4.34 H new ATOM 1042 N GLN A 75 -0.994 7.775 0.406 1.00 11.30 N ATOM 1043 CA GLN A 75 0.237 7.470 -0.319 1.00 71.25 C ATOM 1044 C GLN A 75 0.017 6.296 -1.271 1.00 62.22 C ATOM 1045 O GLN A 75 0.274 6.399 -2.474 1.00 52.23 O ATOM 1046 CB GLN A 75 1.374 7.154 0.667 1.00 32.01 C ATOM 1047 CG GLN A 75 1.781 8.342 1.535 1.00 34.55 C ATOM 1048 CD GLN A 75 2.806 7.982 2.601 1.00 23.14 C ATOM 1049 OE1 GLN A 75 2.832 6.860 3.104 1.00 72.10 O ATOM 1050 NE2 GLN A 75 3.658 8.936 2.951 1.00 5.41 N ATOM 0 H GLN A 75 -0.902 7.738 1.421 1.00 11.30 H new ATOM 0 HA GLN A 75 0.519 8.344 -0.906 1.00 71.25 H new ATOM 0 HB2 GLN A 75 1.065 6.332 1.313 1.00 32.01 H new ATOM 0 HB3 GLN A 75 2.243 6.810 0.107 1.00 32.01 H new ATOM 0 HG2 GLN A 75 2.189 9.126 0.898 1.00 34.55 H new ATOM 0 HG3 GLN A 75 0.894 8.752 2.017 1.00 34.55 H new ATOM 0 HE21 GLN A 75 3.604 9.854 2.510 1.00 5.41 H new ATOM 0 HE22 GLN A 75 4.367 8.751 3.661 1.00 5.41 H new ATOM 1059 N SER A 76 -0.501 5.199 -0.722 1.00 14.33 N ATOM 1060 CA SER A 76 -0.742 3.984 -1.490 1.00 73.35 C ATOM 1061 C SER A 76 -1.649 4.260 -2.694 1.00 11.41 C ATOM 1062 O SER A 76 -1.241 4.060 -3.841 1.00 71.43 O ATOM 1063 CB SER A 76 -1.355 2.900 -0.590 1.00 10.32 C ATOM 1064 OG SER A 76 -1.538 1.684 -1.294 1.00 11.33 O ATOM 0 H SER A 76 -0.763 5.129 0.261 1.00 14.33 H new ATOM 0 HA SER A 76 0.215 3.627 -1.869 1.00 73.35 H new ATOM 0 HB2 SER A 76 -0.707 2.730 0.270 1.00 10.32 H new ATOM 0 HB3 SER A 76 -2.314 3.246 -0.203 1.00 10.32 H new ATOM 0 HG SER A 76 -1.928 1.014 -0.694 1.00 11.33 H new ATOM 1070 N ARG A 77 -2.873 4.739 -2.436 1.00 31.51 N ATOM 1071 CA ARG A 77 -3.837 4.989 -3.516 1.00 4.12 C ATOM 1072 C ARG A 77 -3.251 5.933 -4.566 1.00 74.13 C ATOM 1073 O ARG A 77 -3.390 5.695 -5.767 1.00 43.20 O ATOM 1074 CB ARG A 77 -5.163 5.558 -2.967 1.00 3.11 C ATOM 1075 CG ARG A 77 -5.072 6.994 -2.449 1.00 42.24 C ATOM 1076 CD ARG A 77 -6.404 7.493 -1.901 1.00 55.25 C ATOM 1077 NE ARG A 77 -7.475 7.433 -2.904 1.00 64.14 N ATOM 1078 CZ ARG A 77 -8.486 8.304 -2.981 1.00 44.34 C ATOM 1079 NH1 ARG A 77 -8.536 9.346 -2.157 1.00 54.10 N ATOM 1080 NH2 ARG A 77 -9.438 8.132 -3.895 1.00 64.41 N ATOM 0 H ARG A 77 -3.216 4.959 -1.501 1.00 31.51 H new ATOM 0 HA ARG A 77 -4.049 4.031 -3.990 1.00 4.12 H new ATOM 0 HB2 ARG A 77 -5.915 5.517 -3.755 1.00 3.11 H new ATOM 0 HB3 ARG A 77 -5.512 4.915 -2.159 1.00 3.11 H new ATOM 0 HG2 ARG A 77 -4.315 7.049 -1.666 1.00 42.24 H new ATOM 0 HG3 ARG A 77 -4.744 7.650 -3.256 1.00 42.24 H new ATOM 0 HD2 ARG A 77 -6.686 6.894 -1.035 1.00 55.25 H new ATOM 0 HD3 ARG A 77 -6.290 8.520 -1.555 1.00 55.25 H new ATOM 0 HE ARG A 77 -7.445 6.676 -3.587 1.00 64.14 H new ATOM 0 HH11 ARG A 77 -7.801 9.483 -1.463 1.00 54.10 H new ATOM 0 HH12 ARG A 77 -9.309 10.008 -2.219 1.00 54.10 H new ATOM 0 HH21 ARG A 77 -9.394 7.338 -4.533 1.00 64.41 H new ATOM 0 HH22 ARG A 77 -10.211 8.794 -3.957 1.00 64.41 H new ATOM 1094 N SER A 78 -2.565 6.980 -4.107 1.00 75.14 N ATOM 1095 CA SER A 78 -2.023 7.998 -5.002 1.00 31.14 C ATOM 1096 C SER A 78 -0.998 7.389 -5.960 1.00 20.05 C ATOM 1097 O SER A 78 -1.040 7.634 -7.168 1.00 1.41 O ATOM 1098 CB SER A 78 -1.389 9.140 -4.196 1.00 70.42 C ATOM 1099 OG SER A 78 -1.040 10.232 -5.033 1.00 24.13 O ATOM 0 H SER A 78 -2.372 7.144 -3.119 1.00 75.14 H new ATOM 0 HA SER A 78 -2.844 8.404 -5.593 1.00 31.14 H new ATOM 0 HB2 SER A 78 -2.086 9.476 -3.428 1.00 70.42 H new ATOM 0 HB3 SER A 78 -0.500 8.775 -3.682 1.00 70.42 H new ATOM 0 HG SER A 78 -0.640 10.944 -4.492 1.00 24.13 H new ATOM 1105 N ALA A 79 -0.085 6.583 -5.425 1.00 74.20 N ATOM 1106 CA ALA A 79 0.948 5.972 -6.250 1.00 2.00 C ATOM 1107 C ALA A 79 0.328 4.954 -7.205 1.00 33.11 C ATOM 1108 O ALA A 79 0.491 5.052 -8.424 1.00 42.21 O ATOM 1109 CB ALA A 79 2.007 5.311 -5.368 1.00 34.34 C ATOM 0 H ALA A 79 -0.040 6.341 -4.435 1.00 74.20 H new ATOM 0 HA ALA A 79 1.431 6.749 -6.843 1.00 2.00 H new ATOM 0 HB1 ALA A 79 2.773 4.858 -5.997 1.00 34.34 H new ATOM 0 HB2 ALA A 79 2.464 6.062 -4.723 1.00 34.34 H new ATOM 0 HB3 ALA A 79 1.540 4.541 -4.754 1.00 34.34 H new ATOM 1115 N LEU A 80 -0.470 4.043 -6.651 1.00 51.14 N ATOM 1116 CA LEU A 80 -1.067 2.957 -7.428 1.00 5.51 C ATOM 1117 C LEU A 80 -1.880 3.499 -8.601 1.00 34.43 C ATOM 1118 O LEU A 80 -1.851 2.935 -9.701 1.00 11.31 O ATOM 1119 CB LEU A 80 -1.934 2.058 -6.529 1.00 52.13 C ATOM 1120 CG LEU A 80 -1.193 0.903 -5.822 1.00 30.02 C ATOM 1121 CD1 LEU A 80 -0.636 -0.085 -6.848 1.00 52.41 C ATOM 1122 CD2 LEU A 80 -0.075 1.425 -4.916 1.00 62.13 C ATOM 0 H LEU A 80 -0.719 4.035 -5.662 1.00 51.14 H new ATOM 0 HA LEU A 80 -0.257 2.353 -7.837 1.00 5.51 H new ATOM 0 HB2 LEU A 80 -2.405 2.682 -5.769 1.00 52.13 H new ATOM 0 HB3 LEU A 80 -2.735 1.634 -7.135 1.00 52.13 H new ATOM 0 HG LEU A 80 -1.914 0.383 -5.192 1.00 30.02 H new ATOM 0 HD11 LEU A 80 -0.117 -0.892 -6.331 1.00 52.41 H new ATOM 0 HD12 LEU A 80 -1.455 -0.498 -7.437 1.00 52.41 H new ATOM 0 HD13 LEU A 80 0.061 0.431 -7.508 1.00 52.41 H new ATOM 0 HD21 LEU A 80 0.425 0.585 -4.434 1.00 62.13 H new ATOM 0 HD22 LEU A 80 0.646 1.983 -5.513 1.00 62.13 H new ATOM 0 HD23 LEU A 80 -0.499 2.079 -4.155 1.00 62.13 H new ATOM 1134 N VAL A 81 -2.592 4.598 -8.371 1.00 43.54 N ATOM 1135 CA VAL A 81 -3.367 5.233 -9.429 1.00 44.04 C ATOM 1136 C VAL A 81 -2.446 6.024 -10.360 1.00 23.33 C ATOM 1137 O VAL A 81 -2.742 6.188 -11.546 1.00 2.40 O ATOM 1138 CB VAL A 81 -4.484 6.159 -8.872 1.00 63.04 C ATOM 1139 CG1 VAL A 81 -3.910 7.450 -8.293 1.00 34.20 C ATOM 1140 CG2 VAL A 81 -5.530 6.455 -9.946 1.00 0.33 C ATOM 0 H VAL A 81 -2.648 5.065 -7.466 1.00 43.54 H new ATOM 0 HA VAL A 81 -3.856 4.436 -9.989 1.00 44.04 H new ATOM 0 HB VAL A 81 -4.975 5.629 -8.056 1.00 63.04 H new ATOM 0 HG11 VAL A 81 -4.722 8.071 -7.914 1.00 34.20 H new ATOM 0 HG12 VAL A 81 -3.225 7.211 -7.479 1.00 34.20 H new ATOM 0 HG13 VAL A 81 -3.373 7.991 -9.072 1.00 34.20 H new ATOM 0 HG21 VAL A 81 -6.302 7.105 -9.533 1.00 0.33 H new ATOM 0 HG22 VAL A 81 -5.053 6.950 -10.792 1.00 0.33 H new ATOM 0 HG23 VAL A 81 -5.983 5.521 -10.280 1.00 0.33 H new ATOM 1150 N GLY A 82 -1.314 6.489 -9.822 1.00 52.35 N ATOM 1151 CA GLY A 82 -0.393 7.294 -10.604 1.00 2.35 C ATOM 1152 C GLY A 82 0.340 6.448 -11.615 1.00 42.44 C ATOM 1153 O GLY A 82 0.693 6.906 -12.705 1.00 61.31 O ATOM 0 H GLY A 82 -1.023 6.320 -8.859 1.00 52.35 H new ATOM 0 HA2 GLY A 82 -0.940 8.086 -11.116 1.00 2.35 H new ATOM 0 HA3 GLY A 82 0.324 7.779 -9.942 1.00 2.35 H new ATOM 1157 N SER A 83 0.562 5.193 -11.242 1.00 21.15 N ATOM 1158 CA SER A 83 1.189 4.222 -12.121 1.00 44.35 C ATOM 1159 C SER A 83 0.186 3.724 -13.165 1.00 45.32 C ATOM 1160 O SER A 83 0.572 3.245 -14.234 1.00 44.22 O ATOM 1161 CB SER A 83 1.741 3.053 -11.298 1.00 40.43 C ATOM 1162 OG SER A 83 2.733 3.496 -10.389 1.00 24.04 O ATOM 0 H SER A 83 0.312 4.824 -10.324 1.00 21.15 H new ATOM 0 HA SER A 83 2.017 4.700 -12.645 1.00 44.35 H new ATOM 0 HB2 SER A 83 0.929 2.574 -10.751 1.00 40.43 H new ATOM 0 HB3 SER A 83 2.163 2.301 -11.965 1.00 40.43 H new ATOM 0 HG SER A 83 3.616 3.429 -10.810 1.00 24.04 H new ATOM 1168 N GLY A 84 -1.103 3.859 -12.851 1.00 25.13 N ATOM 1169 CA GLY A 84 -2.153 3.471 -13.781 1.00 31.34 C ATOM 1170 C GLY A 84 -2.437 1.979 -13.769 1.00 45.11 C ATOM 1171 O GLY A 84 -3.066 1.454 -14.690 1.00 73.45 O ATOM 0 H GLY A 84 -1.439 4.233 -11.963 1.00 25.13 H new ATOM 0 HA2 GLY A 84 -3.067 4.011 -13.534 1.00 31.34 H new ATOM 0 HA3 GLY A 84 -1.867 3.773 -14.789 1.00 31.34 H new ATOM 1175 N LEU A 85 -1.977 1.295 -12.725 1.00 23.14 N ATOM 1176 CA LEU A 85 -2.206 -0.144 -12.587 1.00 72.11 C ATOM 1177 C LEU A 85 -3.627 -0.415 -12.097 1.00 22.11 C ATOM 1178 O LEU A 85 -4.362 -1.204 -12.694 1.00 20.14 O ATOM 1179 CB LEU A 85 -1.175 -0.776 -11.632 1.00 0.01 C ATOM 1180 CG LEU A 85 0.176 -1.152 -12.271 1.00 62.23 C ATOM 1181 CD1 LEU A 85 0.814 0.044 -12.972 1.00 2.43 C ATOM 1182 CD2 LEU A 85 1.124 -1.729 -11.222 1.00 64.35 C ATOM 0 H LEU A 85 -1.444 1.712 -11.962 1.00 23.14 H new ATOM 0 HA LEU A 85 -2.084 -0.603 -13.568 1.00 72.11 H new ATOM 0 HB2 LEU A 85 -0.989 -0.080 -10.814 1.00 0.01 H new ATOM 0 HB3 LEU A 85 -1.613 -1.673 -11.195 1.00 0.01 H new ATOM 0 HG LEU A 85 -0.015 -1.915 -13.025 1.00 62.23 H new ATOM 0 HD11 LEU A 85 1.765 -0.257 -13.411 1.00 2.43 H new ATOM 0 HD12 LEU A 85 0.149 0.403 -13.757 1.00 2.43 H new ATOM 0 HD13 LEU A 85 0.984 0.841 -12.249 1.00 2.43 H new ATOM 0 HD21 LEU A 85 2.072 -1.988 -11.692 1.00 64.35 H new ATOM 0 HD22 LEU A 85 1.297 -0.988 -10.441 1.00 64.35 H new ATOM 0 HD23 LEU A 85 0.680 -2.623 -10.783 1.00 64.35 H new ATOM 1194 N VAL A 86 -4.018 0.257 -11.021 1.00 64.32 N ATOM 1195 CA VAL A 86 -5.351 0.081 -10.450 1.00 5.34 C ATOM 1196 C VAL A 86 -6.068 1.424 -10.344 1.00 54.41 C ATOM 1197 O VAL A 86 -5.456 2.478 -10.533 1.00 62.52 O ATOM 1198 CB VAL A 86 -5.298 -0.589 -9.051 1.00 12.45 C ATOM 1199 CG1 VAL A 86 -4.543 -1.918 -9.109 1.00 43.42 C ATOM 1200 CG2 VAL A 86 -4.673 0.346 -8.017 1.00 51.13 C ATOM 0 H VAL A 86 -3.432 0.929 -10.525 1.00 64.32 H new ATOM 0 HA VAL A 86 -5.903 -0.577 -11.121 1.00 5.34 H new ATOM 0 HB VAL A 86 -6.323 -0.795 -8.741 1.00 12.45 H new ATOM 0 HG11 VAL A 86 -4.520 -2.367 -8.116 1.00 43.42 H new ATOM 0 HG12 VAL A 86 -5.047 -2.593 -9.801 1.00 43.42 H new ATOM 0 HG13 VAL A 86 -3.523 -1.742 -9.451 1.00 43.42 H new ATOM 0 HG21 VAL A 86 -4.649 -0.149 -7.046 1.00 51.13 H new ATOM 0 HG22 VAL A 86 -3.657 0.598 -8.321 1.00 51.13 H new ATOM 0 HG23 VAL A 86 -5.267 1.257 -7.945 1.00 51.13 H new ATOM 1210 N ASP A 87 -7.365 1.376 -10.058 1.00 71.03 N ATOM 1211 CA ASP A 87 -8.177 2.586 -9.906 1.00 51.32 C ATOM 1212 C ASP A 87 -8.596 2.759 -8.448 1.00 63.43 C ATOM 1213 O ASP A 87 -8.604 3.870 -7.910 1.00 23.23 O ATOM 1214 CB ASP A 87 -9.420 2.508 -10.804 1.00 12.43 C ATOM 1215 CG ASP A 87 -10.292 3.755 -10.708 1.00 45.14 C ATOM 1216 OD1 ASP A 87 -10.071 4.708 -11.487 1.00 0.21 O ATOM 1217 OD2 ASP A 87 -11.207 3.790 -9.859 1.00 24.32 O ATOM 0 H ASP A 87 -7.883 0.507 -9.925 1.00 71.03 H new ATOM 0 HA ASP A 87 -7.580 3.447 -10.206 1.00 51.32 H new ATOM 0 HB2 ASP A 87 -9.108 2.366 -11.839 1.00 12.43 H new ATOM 0 HB3 ASP A 87 -10.010 1.634 -10.527 1.00 12.43 H new ATOM 1222 N ASP A 88 -8.936 1.645 -7.809 1.00 41.42 N ATOM 1223 CA ASP A 88 -9.376 1.649 -6.417 1.00 42.14 C ATOM 1224 C ASP A 88 -8.542 0.673 -5.597 1.00 2.12 C ATOM 1225 O ASP A 88 -8.034 -0.317 -6.131 1.00 1.54 O ATOM 1226 CB ASP A 88 -10.863 1.278 -6.328 1.00 14.33 C ATOM 1227 CG ASP A 88 -11.379 1.290 -4.898 1.00 50.33 C ATOM 1228 OD1 ASP A 88 -11.281 2.351 -4.241 1.00 0.14 O ATOM 1229 OD2 ASP A 88 -11.885 0.249 -4.432 1.00 65.13 O ATOM 0 H ASP A 88 -8.915 0.719 -8.237 1.00 41.42 H new ATOM 0 HA ASP A 88 -9.240 2.652 -6.012 1.00 42.14 H new ATOM 0 HB2 ASP A 88 -11.446 1.978 -6.927 1.00 14.33 H new ATOM 0 HB3 ASP A 88 -11.014 0.288 -6.757 1.00 14.33 H new ATOM 1234 N ILE A 89 -8.385 0.960 -4.309 1.00 14.02 N ATOM 1235 CA ILE A 89 -7.658 0.077 -3.402 1.00 34.52 C ATOM 1236 C ILE A 89 -8.412 -0.046 -2.085 1.00 32.52 C ATOM 1237 O ILE A 89 -9.154 0.863 -1.701 1.00 70.51 O ATOM 1238 CB ILE A 89 -6.216 0.580 -3.096 1.00 13.42 C ATOM 1239 CG1 ILE A 89 -6.244 1.825 -2.186 1.00 53.54 C ATOM 1240 CG2 ILE A 89 -5.455 0.882 -4.387 1.00 50.10 C ATOM 1241 CD1 ILE A 89 -4.890 2.189 -1.615 1.00 71.00 C ATOM 0 H ILE A 89 -8.754 1.802 -3.867 1.00 14.02 H new ATOM 0 HA ILE A 89 -7.581 -0.888 -3.903 1.00 34.52 H new ATOM 0 HB ILE A 89 -5.694 -0.218 -2.568 1.00 13.42 H new ATOM 0 HG12 ILE A 89 -6.629 2.672 -2.755 1.00 53.54 H new ATOM 0 HG13 ILE A 89 -6.940 1.649 -1.365 1.00 53.54 H new ATOM 0 HG21 ILE A 89 -4.451 1.231 -4.145 1.00 50.10 H new ATOM 0 HG22 ILE A 89 -5.388 -0.023 -4.990 1.00 50.10 H new ATOM 0 HG23 ILE A 89 -5.982 1.654 -4.948 1.00 50.10 H new ATOM 0 HD11 ILE A 89 -4.986 3.074 -0.986 1.00 71.00 H new ATOM 0 HD12 ILE A 89 -4.512 1.359 -1.019 1.00 71.00 H new ATOM 0 HD13 ILE A 89 -4.196 2.397 -2.429 1.00 71.00 H new ATOM 1253 N ARG A 90 -8.233 -1.167 -1.400 1.00 63.50 N ATOM 1254 CA ARG A 90 -8.766 -1.334 -0.053 1.00 13.43 C ATOM 1255 C ARG A 90 -7.725 -1.974 0.845 1.00 32.41 C ATOM 1256 O ARG A 90 -7.299 -3.110 0.615 1.00 24.14 O ATOM 1257 CB ARG A 90 -10.064 -2.161 -0.032 1.00 41.53 C ATOM 1258 CG ARG A 90 -11.301 -1.377 -0.474 1.00 3.41 C ATOM 1259 CD ARG A 90 -11.589 -1.541 -1.958 1.00 13.22 C ATOM 1260 NE ARG A 90 -12.148 -2.860 -2.257 1.00 5.42 N ATOM 1261 CZ ARG A 90 -12.953 -3.109 -3.288 1.00 22.24 C ATOM 1262 NH1 ARG A 90 -13.211 -2.164 -4.185 1.00 42.55 N ATOM 1263 NH2 ARG A 90 -13.481 -4.315 -3.441 1.00 3.44 N ATOM 0 H ARG A 90 -7.722 -1.976 -1.754 1.00 63.50 H new ATOM 0 HA ARG A 90 -9.012 -0.340 0.321 1.00 13.43 H new ATOM 0 HB2 ARG A 90 -9.943 -3.027 -0.682 1.00 41.53 H new ATOM 0 HB3 ARG A 90 -10.226 -2.540 0.977 1.00 41.53 H new ATOM 0 HG2 ARG A 90 -12.165 -1.712 0.100 1.00 3.41 H new ATOM 0 HG3 ARG A 90 -11.158 -0.320 -0.249 1.00 3.41 H new ATOM 0 HD2 ARG A 90 -12.286 -0.768 -2.281 1.00 13.22 H new ATOM 0 HD3 ARG A 90 -10.669 -1.398 -2.525 1.00 13.22 H new ATOM 0 HE ARG A 90 -11.907 -3.635 -1.639 1.00 5.42 H new ATOM 0 HH11 ARG A 90 -12.791 -1.240 -4.087 1.00 42.55 H new ATOM 0 HH12 ARG A 90 -13.829 -2.363 -4.972 1.00 42.55 H new ATOM 0 HH21 ARG A 90 -13.271 -5.053 -2.769 1.00 3.44 H new ATOM 0 HH22 ARG A 90 -14.098 -4.505 -4.231 1.00 3.44 H new ATOM 1277 N ILE A 91 -7.302 -1.222 1.852 1.00 33.53 N ATOM 1278 CA ILE A 91 -6.353 -1.706 2.837 1.00 20.03 C ATOM 1279 C ILE A 91 -7.102 -2.168 4.081 1.00 42.41 C ATOM 1280 O ILE A 91 -7.690 -1.363 4.801 1.00 13.15 O ATOM 1281 CB ILE A 91 -5.309 -0.619 3.200 1.00 61.10 C ATOM 1282 CG1 ILE A 91 -4.555 -0.182 1.929 1.00 61.54 C ATOM 1283 CG2 ILE A 91 -4.336 -1.131 4.268 1.00 34.12 C ATOM 1284 CD1 ILE A 91 -3.520 0.899 2.157 1.00 21.45 C ATOM 0 H ILE A 91 -7.608 -0.261 2.006 1.00 33.53 H new ATOM 0 HA ILE A 91 -5.809 -2.548 2.409 1.00 20.03 H new ATOM 0 HB ILE A 91 -5.827 0.245 3.616 1.00 61.10 H new ATOM 0 HG12 ILE A 91 -4.064 -1.053 1.495 1.00 61.54 H new ATOM 0 HG13 ILE A 91 -5.279 0.174 1.196 1.00 61.54 H new ATOM 0 HG21 ILE A 91 -3.613 -0.351 4.506 1.00 34.12 H new ATOM 0 HG22 ILE A 91 -4.891 -1.398 5.167 1.00 34.12 H new ATOM 0 HG23 ILE A 91 -3.811 -2.009 3.891 1.00 34.12 H new ATOM 0 HD11 ILE A 91 -3.038 1.146 1.211 1.00 21.45 H new ATOM 0 HD12 ILE A 91 -4.005 1.788 2.560 1.00 21.45 H new ATOM 0 HD13 ILE A 91 -2.771 0.542 2.864 1.00 21.45 H new ATOM 1296 N ASN A 92 -7.090 -3.472 4.303 1.00 30.52 N ATOM 1297 CA ASN A 92 -7.809 -4.095 5.407 1.00 62.41 C ATOM 1298 C ASN A 92 -6.918 -4.121 6.642 1.00 25.33 C ATOM 1299 O ASN A 92 -5.819 -4.689 6.621 1.00 2.15 O ATOM 1300 CB ASN A 92 -8.218 -5.517 5.001 1.00 71.12 C ATOM 1301 CG ASN A 92 -8.921 -6.310 6.096 1.00 33.03 C ATOM 1302 OD1 ASN A 92 -10.149 -6.373 6.148 1.00 0.21 O ATOM 1303 ND2 ASN A 92 -8.145 -6.937 6.963 1.00 30.41 N ATOM 0 H ASN A 92 -6.578 -4.134 3.720 1.00 30.52 H new ATOM 0 HA ASN A 92 -8.707 -3.524 5.641 1.00 62.41 H new ATOM 0 HB2 ASN A 92 -8.875 -5.459 4.133 1.00 71.12 H new ATOM 0 HB3 ASN A 92 -7.327 -6.063 4.690 1.00 71.12 H new ATOM 0 HD21 ASN A 92 -8.561 -7.497 7.707 1.00 30.41 H new ATOM 0 HD22 ASN A 92 -7.131 -6.861 6.888 1.00 30.41 H new ATOM 1310 N TRP A 93 -7.381 -3.476 7.702 1.00 73.23 N ATOM 1311 CA TRP A 93 -6.622 -3.372 8.937 1.00 53.44 C ATOM 1312 C TRP A 93 -6.881 -4.578 9.834 1.00 34.11 C ATOM 1313 O TRP A 93 -7.954 -4.703 10.424 1.00 1.02 O ATOM 1314 CB TRP A 93 -6.983 -2.071 9.666 1.00 63.15 C ATOM 1315 CG TRP A 93 -6.551 -0.835 8.930 1.00 52.02 C ATOM 1316 CD1 TRP A 93 -7.344 0.058 8.258 1.00 72.23 C ATOM 1317 CD2 TRP A 93 -5.209 -0.364 8.784 1.00 50.13 C ATOM 1318 NE1 TRP A 93 -6.569 1.059 7.719 1.00 50.20 N ATOM 1319 CE2 TRP A 93 -5.259 0.818 8.026 1.00 54.52 C ATOM 1320 CE3 TRP A 93 -3.969 -0.828 9.226 1.00 1.21 C ATOM 1321 CZ2 TRP A 93 -4.118 1.541 7.706 1.00 2.25 C ATOM 1322 CZ3 TRP A 93 -2.836 -0.112 8.902 1.00 54.12 C ATOM 1323 CH2 TRP A 93 -2.916 1.062 8.149 1.00 63.12 C ATOM 0 H TRP A 93 -8.289 -3.012 7.730 1.00 73.23 H new ATOM 0 HA TRP A 93 -5.560 -3.356 8.693 1.00 53.44 H new ATOM 0 HB2 TRP A 93 -8.062 -2.036 9.818 1.00 63.15 H new ATOM 0 HB3 TRP A 93 -6.522 -2.077 10.654 1.00 63.15 H new ATOM 0 HD1 TRP A 93 -8.418 -0.013 8.165 1.00 72.23 H new ATOM 0 HE1 TRP A 93 -6.915 1.852 7.179 1.00 50.20 H new ATOM 0 HE3 TRP A 93 -3.898 -1.733 9.812 1.00 1.21 H new ATOM 0 HZ2 TRP A 93 -4.177 2.451 7.127 1.00 2.25 H new ATOM 0 HZ3 TRP A 93 -1.871 -0.464 9.236 1.00 54.12 H new ATOM 0 HH2 TRP A 93 -2.011 1.602 7.912 1.00 63.12 H new ATOM 1334 N VAL A 94 -5.897 -5.471 9.931 1.00 33.44 N ATOM 1335 CA VAL A 94 -6.035 -6.669 10.759 1.00 0.02 C ATOM 1336 C VAL A 94 -5.530 -6.404 12.175 1.00 42.21 C ATOM 1337 O VAL A 94 -4.399 -5.962 12.372 1.00 72.31 O ATOM 1338 CB VAL A 94 -5.294 -7.894 10.157 1.00 42.43 C ATOM 1339 CG1 VAL A 94 -5.893 -8.276 8.812 1.00 51.45 C ATOM 1340 CG2 VAL A 94 -3.796 -7.635 10.018 1.00 10.44 C ATOM 0 H VAL A 94 -5.001 -5.389 9.450 1.00 33.44 H new ATOM 0 HA VAL A 94 -7.098 -6.909 10.790 1.00 0.02 H new ATOM 0 HB VAL A 94 -5.424 -8.726 10.849 1.00 42.43 H new ATOM 0 HG11 VAL A 94 -5.360 -9.136 8.407 1.00 51.45 H new ATOM 0 HG12 VAL A 94 -6.945 -8.529 8.941 1.00 51.45 H new ATOM 0 HG13 VAL A 94 -5.804 -7.437 8.122 1.00 51.45 H new ATOM 0 HG21 VAL A 94 -3.312 -8.515 9.593 1.00 10.44 H new ATOM 0 HG22 VAL A 94 -3.634 -6.780 9.362 1.00 10.44 H new ATOM 0 HG23 VAL A 94 -3.370 -7.425 10.999 1.00 10.44 H new ATOM 1350 N TRP A 95 -6.384 -6.648 13.159 1.00 41.54 N ATOM 1351 CA TRP A 95 -6.018 -6.466 14.563 1.00 35.02 C ATOM 1352 C TRP A 95 -6.096 -7.803 15.290 1.00 51.32 C ATOM 1353 O TRP A 95 -5.297 -8.097 16.183 1.00 62.33 O ATOM 1354 CB TRP A 95 -6.959 -5.452 15.229 1.00 12.14 C ATOM 1355 CG TRP A 95 -7.189 -4.216 14.409 1.00 22.24 C ATOM 1356 CD1 TRP A 95 -6.238 -3.418 13.835 1.00 3.50 C ATOM 1357 CD2 TRP A 95 -8.454 -3.635 14.074 1.00 40.32 C ATOM 1358 NE1 TRP A 95 -6.837 -2.381 13.165 1.00 22.04 N ATOM 1359 CE2 TRP A 95 -8.194 -2.491 13.297 1.00 72.31 C ATOM 1360 CE3 TRP A 95 -9.782 -3.972 14.354 1.00 24.33 C ATOM 1361 CZ2 TRP A 95 -9.209 -1.683 12.798 1.00 42.11 C ATOM 1362 CZ3 TRP A 95 -10.790 -3.167 13.859 1.00 14.23 C ATOM 1363 CH2 TRP A 95 -10.499 -2.033 13.087 1.00 55.31 C ATOM 0 H TRP A 95 -7.340 -6.974 13.013 1.00 41.54 H new ATOM 0 HA TRP A 95 -4.998 -6.085 14.618 1.00 35.02 H new ATOM 0 HB2 TRP A 95 -7.918 -5.932 15.424 1.00 12.14 H new ATOM 0 HB3 TRP A 95 -6.545 -5.165 16.195 1.00 12.14 H new ATOM 0 HD1 TRP A 95 -5.172 -3.580 13.900 1.00 3.50 H new ATOM 0 HE1 TRP A 95 -6.349 -1.647 12.652 1.00 22.04 H new ATOM 0 HE3 TRP A 95 -10.015 -4.845 14.946 1.00 24.33 H new ATOM 0 HZ2 TRP A 95 -8.987 -0.810 12.203 1.00 42.11 H new ATOM 0 HZ3 TRP A 95 -11.820 -3.415 14.070 1.00 14.23 H new ATOM 0 HH2 TRP A 95 -11.309 -1.424 12.714 1.00 55.31 H new ATOM 1374 N ASN A 96 -7.055 -8.613 14.867 1.00 21.51 N ATOM 1375 CA ASN A 96 -7.343 -9.901 15.491 1.00 53.05 C ATOM 1376 C ASN A 96 -8.374 -10.660 14.650 1.00 40.34 C ATOM 1377 O ASN A 96 -8.197 -11.849 14.379 1.00 45.11 O ATOM 1378 CB ASN A 96 -7.839 -9.727 16.937 1.00 33.22 C ATOM 1379 CG ASN A 96 -8.207 -11.048 17.593 1.00 12.14 C ATOM 1380 OD1 ASN A 96 -7.625 -12.093 17.298 1.00 34.13 O ATOM 1381 ND2 ASN A 96 -9.183 -11.015 18.484 1.00 23.03 N ATOM 0 H ASN A 96 -7.661 -8.396 14.076 1.00 21.51 H new ATOM 0 HA ASN A 96 -6.420 -10.479 15.533 1.00 53.05 H new ATOM 0 HB2 ASN A 96 -7.064 -9.237 17.526 1.00 33.22 H new ATOM 0 HB3 ASN A 96 -8.708 -9.069 16.942 1.00 33.22 H new ATOM 0 HD21 ASN A 96 -9.476 -11.873 18.952 1.00 23.03 H new ATOM 0 HD22 ASN A 96 -9.643 -10.132 18.704 1.00 23.03 H new ATOM 1388 N PRO A 97 -9.483 -9.998 14.227 1.00 60.22 N ATOM 1389 CA PRO A 97 -10.371 -10.564 13.208 1.00 31.12 C ATOM 1390 C PRO A 97 -9.611 -10.705 11.888 1.00 53.15 C ATOM 1391 O PRO A 97 -8.803 -9.837 11.554 1.00 13.52 O ATOM 1392 CB PRO A 97 -11.510 -9.536 13.089 1.00 62.10 C ATOM 1393 CG PRO A 97 -10.936 -8.268 13.627 1.00 34.02 C ATOM 1394 CD PRO A 97 -9.973 -8.685 14.704 1.00 23.52 C ATOM 0 HA PRO A 97 -10.745 -11.556 13.461 1.00 31.12 H new ATOM 0 HB2 PRO A 97 -11.830 -9.418 12.054 1.00 62.10 H new ATOM 0 HB3 PRO A 97 -12.385 -9.847 13.659 1.00 62.10 H new ATOM 0 HG2 PRO A 97 -10.428 -7.704 12.844 1.00 34.02 H new ATOM 0 HG3 PRO A 97 -11.718 -7.623 14.028 1.00 34.02 H new ATOM 0 HD2 PRO A 97 -9.160 -7.968 14.817 1.00 23.52 H new ATOM 0 HD3 PRO A 97 -10.464 -8.766 15.674 1.00 23.52 H new ATOM 1402 N PRO A 98 -9.834 -11.798 11.136 1.00 2.33 N ATOM 1403 CA PRO A 98 -9.065 -12.078 9.919 1.00 53.03 C ATOM 1404 C PRO A 98 -9.281 -11.022 8.825 1.00 74.01 C ATOM 1405 O PRO A 98 -8.633 -9.975 8.829 1.00 1.20 O ATOM 1406 CB PRO A 98 -9.561 -13.470 9.484 1.00 42.33 C ATOM 1407 CG PRO A 98 -10.906 -13.612 10.117 1.00 4.24 C ATOM 1408 CD PRO A 98 -10.838 -12.844 11.411 1.00 0.42 C ATOM 0 HA PRO A 98 -7.990 -12.051 10.099 1.00 53.03 H new ATOM 0 HB2 PRO A 98 -9.625 -13.545 8.399 1.00 42.33 H new ATOM 0 HB3 PRO A 98 -8.882 -14.254 9.819 1.00 42.33 H new ATOM 0 HG2 PRO A 98 -11.687 -13.215 9.468 1.00 4.24 H new ATOM 0 HG3 PRO A 98 -11.144 -14.660 10.297 1.00 4.24 H new ATOM 0 HD2 PRO A 98 -11.804 -12.414 11.674 1.00 0.42 H new ATOM 0 HD3 PRO A 98 -10.536 -13.482 12.242 1.00 0.42 H new ATOM 1416 N TRP A 99 -10.202 -11.284 7.899 1.00 13.11 N ATOM 1417 CA TRP A 99 -10.422 -10.399 6.758 1.00 51.10 C ATOM 1418 C TRP A 99 -11.900 -10.405 6.377 1.00 54.21 C ATOM 1419 O TRP A 99 -12.472 -11.468 6.135 1.00 43.53 O ATOM 1420 CB TRP A 99 -9.564 -10.851 5.561 1.00 61.41 C ATOM 1421 CG TRP A 99 -8.103 -10.995 5.888 1.00 11.01 C ATOM 1422 CD1 TRP A 99 -7.200 -9.988 6.065 1.00 33.34 C ATOM 1423 CD2 TRP A 99 -7.378 -12.218 6.091 1.00 3.14 C ATOM 1424 NE1 TRP A 99 -5.965 -10.505 6.360 1.00 12.04 N ATOM 1425 CE2 TRP A 99 -6.046 -11.868 6.381 1.00 41.42 C ATOM 1426 CE3 TRP A 99 -7.725 -13.573 6.056 1.00 54.43 C ATOM 1427 CZ2 TRP A 99 -5.062 -12.818 6.636 1.00 24.11 C ATOM 1428 CZ3 TRP A 99 -6.746 -14.518 6.307 1.00 41.41 C ATOM 1429 CH2 TRP A 99 -5.428 -14.137 6.596 1.00 25.12 C ATOM 0 H TRP A 99 -10.809 -12.104 7.917 1.00 13.11 H new ATOM 0 HA TRP A 99 -10.129 -9.386 7.033 1.00 51.10 H new ATOM 0 HB2 TRP A 99 -9.941 -11.805 5.194 1.00 61.41 H new ATOM 0 HB3 TRP A 99 -9.677 -10.131 4.751 1.00 61.41 H new ATOM 0 HD1 TRP A 99 -7.426 -8.935 5.984 1.00 33.34 H new ATOM 0 HE1 TRP A 99 -5.121 -9.959 6.536 1.00 12.04 H new ATOM 0 HE3 TRP A 99 -8.738 -13.876 5.837 1.00 54.43 H new ATOM 0 HZ2 TRP A 99 -4.046 -12.526 6.857 1.00 24.11 H new ATOM 0 HZ3 TRP A 99 -7.001 -15.567 6.280 1.00 41.41 H new ATOM 0 HH2 TRP A 99 -4.687 -14.898 6.791 1.00 25.12 H new ATOM 1440 N GLY A 100 -12.518 -9.226 6.334 1.00 15.04 N ATOM 1441 CA GLY A 100 -13.932 -9.140 6.004 1.00 34.53 C ATOM 1442 C GLY A 100 -14.410 -7.711 5.802 1.00 3.25 C ATOM 1443 O GLY A 100 -14.201 -7.136 4.732 1.00 63.02 O ATOM 0 H GLY A 100 -12.066 -8.331 6.521 1.00 15.04 H new ATOM 0 HA2 GLY A 100 -14.123 -9.713 5.096 1.00 34.53 H new ATOM 0 HA3 GLY A 100 -14.514 -9.603 6.801 1.00 34.53 H new ATOM 1447 N PRO A 101 -15.040 -7.099 6.828 1.00 3.32 N ATOM 1448 CA PRO A 101 -15.638 -5.756 6.716 1.00 62.14 C ATOM 1449 C PRO A 101 -14.601 -4.681 6.390 1.00 54.34 C ATOM 1450 O PRO A 101 -14.858 -3.767 5.604 1.00 52.24 O ATOM 1451 CB PRO A 101 -16.254 -5.510 8.108 1.00 61.32 C ATOM 1452 CG PRO A 101 -16.365 -6.866 8.728 1.00 11.22 C ATOM 1453 CD PRO A 101 -15.214 -7.660 8.181 1.00 61.43 C ATOM 0 HA PRO A 101 -16.364 -5.705 5.904 1.00 62.14 H new ATOM 0 HB2 PRO A 101 -15.624 -4.852 8.707 1.00 61.32 H new ATOM 0 HB3 PRO A 101 -17.230 -5.031 8.029 1.00 61.32 H new ATOM 0 HG2 PRO A 101 -16.316 -6.804 9.815 1.00 11.22 H new ATOM 0 HG3 PRO A 101 -17.317 -7.334 8.478 1.00 11.22 H new ATOM 0 HD2 PRO A 101 -14.316 -7.539 8.787 1.00 61.43 H new ATOM 0 HD3 PRO A 101 -15.437 -8.726 8.151 1.00 61.43 H new ATOM 1461 N ASP A 102 -13.420 -4.820 6.980 1.00 33.34 N ATOM 1462 CA ASP A 102 -12.349 -3.832 6.835 1.00 34.33 C ATOM 1463 C ASP A 102 -11.816 -3.791 5.399 1.00 14.24 C ATOM 1464 O ASP A 102 -10.972 -2.959 5.065 1.00 54.11 O ATOM 1465 CB ASP A 102 -11.219 -4.125 7.832 1.00 71.41 C ATOM 1466 CG ASP A 102 -11.734 -4.253 9.257 1.00 51.44 C ATOM 1467 OD1 ASP A 102 -11.730 -3.244 9.997 1.00 53.44 O ATOM 1468 OD2 ASP A 102 -12.178 -5.361 9.634 1.00 30.44 O ATOM 0 H ASP A 102 -13.175 -5.615 7.570 1.00 33.34 H new ATOM 0 HA ASP A 102 -12.763 -2.848 7.056 1.00 34.33 H new ATOM 0 HB2 ASP A 102 -10.713 -5.047 7.545 1.00 71.41 H new ATOM 0 HB3 ASP A 102 -10.478 -3.327 7.785 1.00 71.41 H new ATOM 1473 N LYS A 103 -12.314 -4.696 4.550 1.00 30.53 N ATOM 1474 CA LYS A 103 -12.010 -4.672 3.117 1.00 22.03 C ATOM 1475 C LYS A 103 -12.820 -3.576 2.418 1.00 32.53 C ATOM 1476 O LYS A 103 -12.746 -3.421 1.198 1.00 50.31 O ATOM 1477 CB LYS A 103 -12.320 -6.036 2.469 1.00 24.11 C ATOM 1478 CG LYS A 103 -11.407 -7.185 2.905 1.00 35.54 C ATOM 1479 CD LYS A 103 -9.991 -7.051 2.339 1.00 13.11 C ATOM 1480 CE LYS A 103 -9.139 -8.282 2.653 1.00 21.10 C ATOM 1481 NZ LYS A 103 -7.735 -8.135 2.176 1.00 62.10 N ATOM 0 H LYS A 103 -12.932 -5.457 4.833 1.00 30.53 H new ATOM 0 HA LYS A 103 -10.947 -4.461 3.002 1.00 22.03 H new ATOM 0 HB2 LYS A 103 -13.351 -6.304 2.700 1.00 24.11 H new ATOM 0 HB3 LYS A 103 -12.253 -5.930 1.386 1.00 24.11 H new ATOM 0 HG2 LYS A 103 -11.359 -7.215 3.994 1.00 35.54 H new ATOM 0 HG3 LYS A 103 -11.838 -8.132 2.579 1.00 35.54 H new ATOM 0 HD2 LYS A 103 -10.042 -6.909 1.259 1.00 13.11 H new ATOM 0 HD3 LYS A 103 -9.515 -6.163 2.755 1.00 13.11 H new ATOM 0 HE2 LYS A 103 -9.138 -8.456 3.729 1.00 21.10 H new ATOM 0 HE3 LYS A 103 -9.588 -9.160 2.189 1.00 21.10 H new ATOM 0 HZ1 LYS A 103 -7.274 -9.067 2.160 1.00 62.10 H new ATOM 0 HZ2 LYS A 103 -7.734 -7.732 1.217 1.00 62.10 H new ATOM 0 HZ3 LYS A 103 -7.215 -7.503 2.817 1.00 62.10 H new ATOM 1495 N ILE A 104 -13.609 -2.833 3.195 1.00 64.05 N ATOM 1496 CA ILE A 104 -14.384 -1.707 2.675 1.00 50.24 C ATOM 1497 C ILE A 104 -13.829 -0.393 3.227 1.00 15.04 C ATOM 1498 O ILE A 104 -13.865 -0.152 4.437 1.00 62.33 O ATOM 1499 CB ILE A 104 -15.885 -1.831 3.052 1.00 14.34 C ATOM 1500 CG1 ILE A 104 -16.462 -3.163 2.538 1.00 61.30 C ATOM 1501 CG2 ILE A 104 -16.680 -0.648 2.497 1.00 30.13 C ATOM 1502 CD1 ILE A 104 -17.915 -3.391 2.911 1.00 73.53 C ATOM 0 H ILE A 104 -13.728 -2.993 4.195 1.00 64.05 H new ATOM 0 HA ILE A 104 -14.300 -1.718 1.588 1.00 50.24 H new ATOM 0 HB ILE A 104 -15.969 -1.817 4.139 1.00 14.34 H new ATOM 0 HG12 ILE A 104 -16.367 -3.193 1.453 1.00 61.30 H new ATOM 0 HG13 ILE A 104 -15.863 -3.983 2.933 1.00 61.30 H new ATOM 0 HG21 ILE A 104 -17.729 -0.754 2.772 1.00 30.13 H new ATOM 0 HG22 ILE A 104 -16.288 0.281 2.912 1.00 30.13 H new ATOM 0 HG23 ILE A 104 -16.590 -0.627 1.411 1.00 30.13 H new ATOM 0 HD11 ILE A 104 -18.247 -4.350 2.513 1.00 73.53 H new ATOM 0 HD12 ILE A 104 -18.016 -3.395 3.996 1.00 73.53 H new ATOM 0 HD13 ILE A 104 -18.528 -2.593 2.492 1.00 73.53 H new ATOM 1514 N THR A 105 -13.311 0.450 2.339 1.00 35.22 N ATOM 1515 CA THR A 105 -12.732 1.732 2.726 1.00 24.13 C ATOM 1516 C THR A 105 -13.801 2.824 2.815 1.00 75.24 C ATOM 1517 O THR A 105 -14.934 2.645 2.350 1.00 51.50 O ATOM 1518 CB THR A 105 -11.636 2.162 1.722 1.00 25.40 C ATOM 1519 OG1 THR A 105 -12.104 1.951 0.378 1.00 12.22 O ATOM 1520 CG2 THR A 105 -10.341 1.384 1.943 1.00 10.21 C ATOM 0 H THR A 105 -13.281 0.265 1.336 1.00 35.22 H new ATOM 0 HA THR A 105 -12.286 1.602 3.712 1.00 24.13 H new ATOM 0 HB THR A 105 -11.426 3.220 1.881 1.00 25.40 H new ATOM 0 HG1 THR A 105 -11.410 2.225 -0.257 1.00 12.22 H new ATOM 0 HG21 THR A 105 -9.593 1.711 1.221 1.00 10.21 H new ATOM 0 HG22 THR A 105 -9.975 1.567 2.953 1.00 10.21 H new ATOM 0 HG23 THR A 105 -10.530 0.318 1.813 1.00 10.21 H new ATOM 1528 N GLU A 106 -13.423 3.959 3.405 1.00 45.52 N ATOM 1529 CA GLU A 106 -14.321 5.105 3.561 1.00 23.21 C ATOM 1530 C GLU A 106 -14.812 5.614 2.201 1.00 43.43 C ATOM 1531 O GLU A 106 -15.862 6.244 2.111 1.00 60.05 O ATOM 1532 CB GLU A 106 -13.599 6.234 4.323 1.00 62.24 C ATOM 1533 CG GLU A 106 -14.415 7.522 4.492 1.00 45.35 C ATOM 1534 CD GLU A 106 -15.536 7.426 5.526 1.00 22.12 C ATOM 1535 OE1 GLU A 106 -15.804 8.440 6.207 1.00 45.23 O ATOM 1536 OE2 GLU A 106 -16.157 6.353 5.667 1.00 34.44 O ATOM 0 H GLU A 106 -12.489 4.110 3.787 1.00 45.52 H new ATOM 0 HA GLU A 106 -15.192 4.783 4.132 1.00 23.21 H new ATOM 0 HB2 GLU A 106 -13.320 5.866 5.310 1.00 62.24 H new ATOM 0 HB3 GLU A 106 -12.674 6.473 3.798 1.00 62.24 H new ATOM 0 HG2 GLU A 106 -13.741 8.330 4.778 1.00 45.35 H new ATOM 0 HG3 GLU A 106 -14.847 7.793 3.529 1.00 45.35 H new ATOM 1543 N ASP A 107 -14.059 5.304 1.144 1.00 43.25 N ATOM 1544 CA ASP A 107 -14.372 5.789 -0.204 1.00 63.42 C ATOM 1545 C ASP A 107 -15.782 5.368 -0.621 1.00 11.31 C ATOM 1546 O ASP A 107 -16.612 6.205 -0.978 1.00 11.35 O ATOM 1547 CB ASP A 107 -13.349 5.232 -1.209 1.00 43.51 C ATOM 1548 CG ASP A 107 -13.543 5.774 -2.620 1.00 15.22 C ATOM 1549 OD1 ASP A 107 -12.840 6.740 -2.988 1.00 45.01 O ATOM 1550 OD2 ASP A 107 -14.386 5.234 -3.369 1.00 44.34 O ATOM 0 H ASP A 107 -13.226 4.718 1.195 1.00 43.25 H new ATOM 0 HA ASP A 107 -14.323 6.878 -0.197 1.00 63.42 H new ATOM 0 HB2 ASP A 107 -12.343 5.476 -0.867 1.00 43.51 H new ATOM 0 HB3 ASP A 107 -13.424 4.145 -1.230 1.00 43.51 H new ATOM 1555 N GLY A 108 -16.054 4.070 -0.521 1.00 20.15 N ATOM 1556 CA GLY A 108 -17.350 3.545 -0.913 1.00 31.13 C ATOM 1557 C GLY A 108 -18.392 3.731 0.170 1.00 61.22 C ATOM 1558 O GLY A 108 -19.587 3.831 -0.112 1.00 24.43 O ATOM 0 H GLY A 108 -15.398 3.370 -0.174 1.00 20.15 H new ATOM 0 HA2 GLY A 108 -17.682 4.043 -1.824 1.00 31.13 H new ATOM 0 HA3 GLY A 108 -17.255 2.484 -1.146 1.00 31.13 H new ATOM 1562 N ARG A 109 -17.934 3.771 1.417 1.00 74.31 N ATOM 1563 CA ARG A 109 -18.823 3.924 2.565 1.00 25.14 C ATOM 1564 C ARG A 109 -19.459 5.318 2.542 1.00 74.50 C ATOM 1565 O ARG A 109 -20.647 5.480 2.836 1.00 20.13 O ATOM 1566 CB ARG A 109 -18.026 3.694 3.870 1.00 14.21 C ATOM 1567 CG ARG A 109 -18.868 3.354 5.108 1.00 1.43 C ATOM 1568 CD ARG A 109 -19.727 4.523 5.582 1.00 50.51 C ATOM 1569 NE ARG A 109 -18.933 5.734 5.802 1.00 30.12 N ATOM 1570 CZ ARG A 109 -19.446 6.956 5.956 1.00 13.12 C ATOM 1571 NH1 ARG A 109 -20.761 7.148 5.916 1.00 55.21 N ATOM 1572 NH2 ARG A 109 -18.640 7.990 6.143 1.00 75.21 N ATOM 0 H ARG A 109 -16.946 3.699 1.660 1.00 74.31 H new ATOM 0 HA ARG A 109 -19.622 3.185 2.517 1.00 25.14 H new ATOM 0 HB2 ARG A 109 -17.315 2.885 3.703 1.00 14.21 H new ATOM 0 HB3 ARG A 109 -17.445 4.591 4.083 1.00 14.21 H new ATOM 0 HG2 ARG A 109 -19.513 2.505 4.881 1.00 1.43 H new ATOM 0 HG3 ARG A 109 -18.207 3.044 5.917 1.00 1.43 H new ATOM 0 HD2 ARG A 109 -20.502 4.727 4.843 1.00 50.51 H new ATOM 0 HD3 ARG A 109 -20.234 4.249 6.507 1.00 50.51 H new ATOM 0 HE ARG A 109 -17.918 5.636 5.840 1.00 30.12 H new ATOM 0 HH11 ARG A 109 -21.388 6.357 5.767 1.00 55.21 H new ATOM 0 HH12 ARG A 109 -21.143 8.086 6.035 1.00 55.21 H new ATOM 0 HH21 ARG A 109 -17.630 7.851 6.169 1.00 75.21 H new ATOM 0 HH22 ARG A 109 -19.029 8.925 6.261 1.00 75.21 H new ATOM 1586 N GLU A 110 -18.661 6.315 2.173 1.00 72.50 N ATOM 1587 CA GLU A 110 -19.109 7.704 2.163 1.00 2.41 C ATOM 1588 C GLU A 110 -19.992 7.985 0.945 1.00 23.31 C ATOM 1589 O GLU A 110 -21.154 8.385 1.085 1.00 14.44 O ATOM 1590 CB GLU A 110 -17.892 8.647 2.164 1.00 2.03 C ATOM 1591 CG GLU A 110 -18.246 10.132 2.224 1.00 44.44 C ATOM 1592 CD GLU A 110 -18.922 10.527 3.526 1.00 21.21 C ATOM 1593 OE1 GLU A 110 -18.214 10.943 4.470 1.00 5.44 O ATOM 1594 OE2 GLU A 110 -20.166 10.425 3.613 1.00 30.34 O ATOM 0 H GLU A 110 -17.694 6.186 1.875 1.00 72.50 H new ATOM 0 HA GLU A 110 -19.702 7.881 3.061 1.00 2.41 H new ATOM 0 HB2 GLU A 110 -17.258 8.402 3.016 1.00 2.03 H new ATOM 0 HB3 GLU A 110 -17.303 8.462 1.265 1.00 2.03 H new ATOM 0 HG2 GLU A 110 -17.338 10.722 2.098 1.00 44.44 H new ATOM 0 HG3 GLU A 110 -18.904 10.377 1.390 1.00 44.44 H new ATOM 1601 N GLN A 111 -19.451 7.746 -0.250 1.00 13.53 N ATOM 1602 CA GLN A 111 -20.157 8.052 -1.493 1.00 12.33 C ATOM 1603 C GLN A 111 -19.868 6.991 -2.547 1.00 62.42 C ATOM 1604 O GLN A 111 -18.732 6.533 -2.680 1.00 53.23 O ATOM 1605 CB GLN A 111 -19.740 9.432 -2.027 1.00 2.35 C ATOM 1606 CG GLN A 111 -20.023 10.584 -1.071 1.00 21.32 C ATOM 1607 CD GLN A 111 -19.660 11.936 -1.653 1.00 74.51 C ATOM 1608 OE1 GLN A 111 -18.756 12.048 -2.484 1.00 13.31 O ATOM 1609 NE2 GLN A 111 -20.345 12.976 -1.206 1.00 74.15 N ATOM 0 H GLN A 111 -18.524 7.341 -0.383 1.00 13.53 H new ATOM 0 HA GLN A 111 -21.226 8.061 -1.279 1.00 12.33 H new ATOM 0 HB2 GLN A 111 -18.674 9.415 -2.252 1.00 2.35 H new ATOM 0 HB3 GLN A 111 -20.261 9.618 -2.966 1.00 2.35 H new ATOM 0 HG2 GLN A 111 -21.081 10.580 -0.808 1.00 21.32 H new ATOM 0 HG3 GLN A 111 -19.464 10.429 -0.148 1.00 21.32 H new ATOM 0 HE21 GLN A 111 -21.086 12.841 -0.518 1.00 74.15 H new ATOM 0 HE22 GLN A 111 -20.132 13.913 -1.549 1.00 74.15 H new ATOM 1618 N LEU A 112 -20.895 6.607 -3.296 1.00 3.43 N ATOM 1619 CA LEU A 112 -20.730 5.629 -4.367 1.00 72.01 C ATOM 1620 C LEU A 112 -19.920 6.228 -5.522 1.00 72.34 C ATOM 1621 O LEU A 112 -20.057 7.409 -5.856 1.00 10.14 O ATOM 1622 CB LEU A 112 -22.096 5.078 -4.831 1.00 31.11 C ATOM 1623 CG LEU A 112 -23.191 6.115 -5.165 1.00 34.42 C ATOM 1624 CD1 LEU A 112 -23.000 6.704 -6.558 1.00 3.51 C ATOM 1625 CD2 LEU A 112 -24.581 5.493 -5.040 1.00 70.54 C ATOM 0 H LEU A 112 -21.847 6.955 -3.183 1.00 3.43 H new ATOM 0 HA LEU A 112 -20.165 4.781 -3.981 1.00 72.01 H new ATOM 0 HB2 LEU A 112 -21.931 4.462 -5.715 1.00 31.11 H new ATOM 0 HB3 LEU A 112 -22.479 4.420 -4.051 1.00 31.11 H new ATOM 0 HG LEU A 112 -23.102 6.927 -4.443 1.00 34.42 H new ATOM 0 HD11 LEU A 112 -23.789 7.429 -6.758 1.00 3.51 H new ATOM 0 HD12 LEU A 112 -22.030 7.198 -6.614 1.00 3.51 H new ATOM 0 HD13 LEU A 112 -23.044 5.906 -7.300 1.00 3.51 H new ATOM 0 HD21 LEU A 112 -25.337 6.241 -5.280 1.00 70.54 H new ATOM 0 HD22 LEU A 112 -24.668 4.655 -5.731 1.00 70.54 H new ATOM 0 HD23 LEU A 112 -24.731 5.139 -4.020 1.00 70.54 H new ATOM 1637 N ARG A 113 -19.081 5.389 -6.120 1.00 51.55 N ATOM 1638 CA ARG A 113 -18.099 5.809 -7.122 1.00 5.53 C ATOM 1639 C ARG A 113 -18.759 6.546 -8.296 1.00 63.13 C ATOM 1640 O ARG A 113 -18.152 7.421 -8.916 1.00 50.41 O ATOM 1641 CB ARG A 113 -17.345 4.568 -7.633 1.00 33.11 C ATOM 1642 CG ARG A 113 -15.940 4.844 -8.169 1.00 74.30 C ATOM 1643 CD ARG A 113 -14.977 5.272 -7.058 1.00 45.52 C ATOM 1644 NE ARG A 113 -13.579 5.111 -7.461 1.00 72.13 N ATOM 1645 CZ ARG A 113 -12.626 4.593 -6.680 1.00 51.14 C ATOM 1646 NH1 ARG A 113 -12.874 4.318 -5.403 1.00 62.31 N ATOM 1647 NH2 ARG A 113 -11.417 4.373 -7.176 1.00 53.34 N ATOM 0 H ARG A 113 -19.061 4.388 -5.923 1.00 51.55 H new ATOM 0 HA ARG A 113 -17.405 6.506 -6.653 1.00 5.53 H new ATOM 0 HB2 ARG A 113 -17.273 3.845 -6.821 1.00 33.11 H new ATOM 0 HB3 ARG A 113 -17.934 4.102 -8.423 1.00 33.11 H new ATOM 0 HG2 ARG A 113 -15.556 3.948 -8.657 1.00 74.30 H new ATOM 0 HG3 ARG A 113 -15.988 5.625 -8.928 1.00 74.30 H new ATOM 0 HD2 ARG A 113 -15.163 6.314 -6.797 1.00 45.52 H new ATOM 0 HD3 ARG A 113 -15.168 4.680 -6.163 1.00 45.52 H new ATOM 0 HE ARG A 113 -13.315 5.414 -8.399 1.00 72.13 H new ATOM 0 HH11 ARG A 113 -13.798 4.502 -5.012 1.00 62.31 H new ATOM 0 HH12 ARG A 113 -12.140 3.923 -4.815 1.00 62.31 H new ATOM 0 HH21 ARG A 113 -11.217 4.599 -8.150 1.00 53.34 H new ATOM 0 HH22 ARG A 113 -10.687 3.978 -6.583 1.00 53.34 H new ATOM 1661 N ALA A 114 -20.010 6.191 -8.584 1.00 72.13 N ATOM 1662 CA ALA A 114 -20.750 6.759 -9.717 1.00 25.55 C ATOM 1663 C ALA A 114 -21.023 8.261 -9.548 1.00 0.40 C ATOM 1664 O ALA A 114 -21.519 8.914 -10.469 1.00 73.53 O ATOM 1665 CB ALA A 114 -22.056 6.003 -9.928 1.00 10.50 C ATOM 0 H ALA A 114 -20.539 5.506 -8.044 1.00 72.13 H new ATOM 0 HA ALA A 114 -20.120 6.647 -10.599 1.00 25.55 H new ATOM 0 HB1 ALA A 114 -22.594 6.435 -10.771 1.00 10.50 H new ATOM 0 HB2 ALA A 114 -21.840 4.955 -10.134 1.00 10.50 H new ATOM 0 HB3 ALA A 114 -22.669 6.078 -9.030 1.00 10.50 H new ATOM 1671 N LEU A 115 -20.710 8.811 -8.374 1.00 32.45 N ATOM 1672 CA LEU A 115 -20.933 10.237 -8.102 1.00 32.13 C ATOM 1673 C LEU A 115 -19.853 11.128 -8.734 1.00 23.15 C ATOM 1674 O LEU A 115 -19.754 12.315 -8.401 1.00 72.33 O ATOM 1675 CB LEU A 115 -21.002 10.492 -6.587 1.00 62.01 C ATOM 1676 CG LEU A 115 -22.330 10.102 -5.913 1.00 75.44 C ATOM 1677 CD1 LEU A 115 -22.296 10.415 -4.420 1.00 24.52 C ATOM 1678 CD2 LEU A 115 -23.504 10.813 -6.581 1.00 53.32 C ATOM 0 H LEU A 115 -20.302 8.294 -7.595 1.00 32.45 H new ATOM 0 HA LEU A 115 -21.886 10.502 -8.559 1.00 32.13 H new ATOM 0 HB2 LEU A 115 -20.194 9.941 -6.106 1.00 62.01 H new ATOM 0 HB3 LEU A 115 -20.819 11.551 -6.405 1.00 62.01 H new ATOM 0 HG LEU A 115 -22.465 9.027 -6.033 1.00 75.44 H new ATOM 0 HD11 LEU A 115 -23.246 10.130 -3.967 1.00 24.52 H new ATOM 0 HD12 LEU A 115 -21.487 9.856 -3.949 1.00 24.52 H new ATOM 0 HD13 LEU A 115 -22.131 11.483 -4.276 1.00 24.52 H new ATOM 0 HD21 LEU A 115 -24.433 10.523 -6.089 1.00 53.32 H new ATOM 0 HD22 LEU A 115 -23.371 11.892 -6.498 1.00 53.32 H new ATOM 0 HD23 LEU A 115 -23.548 10.533 -7.633 1.00 53.32 H new ATOM 1690 N GLY A 116 -19.057 10.561 -9.639 1.00 51.42 N ATOM 1691 CA GLY A 116 -18.048 11.335 -10.354 1.00 44.21 C ATOM 1692 C GLY A 116 -18.662 12.468 -11.165 1.00 13.22 C ATOM 1693 O GLY A 116 -19.046 12.279 -12.323 1.00 22.32 O ATOM 0 H GLY A 116 -19.092 9.574 -9.892 1.00 51.42 H new ATOM 0 HA2 GLY A 116 -17.334 11.746 -9.640 1.00 44.21 H new ATOM 0 HA3 GLY A 116 -17.490 10.676 -11.019 1.00 44.21 H new ATOM 1697 N PHE A 117 -18.751 13.645 -10.554 1.00 13.30 N ATOM 1698 CA PHE A 117 -19.413 14.797 -11.163 1.00 24.23 C ATOM 1699 C PHE A 117 -18.620 15.327 -12.358 1.00 50.35 C ATOM 1700 O PHE A 117 -17.572 15.953 -12.193 1.00 55.43 O ATOM 1701 CB PHE A 117 -19.605 15.906 -10.116 1.00 21.31 C ATOM 1702 CG PHE A 117 -20.321 17.128 -10.642 1.00 0.13 C ATOM 1703 CD1 PHE A 117 -19.612 18.269 -10.995 1.00 10.43 C ATOM 1704 CD2 PHE A 117 -21.702 17.132 -10.787 1.00 15.31 C ATOM 1705 CE1 PHE A 117 -20.265 19.386 -11.480 1.00 55.23 C ATOM 1706 CE2 PHE A 117 -22.359 18.248 -11.271 1.00 73.24 C ATOM 1707 CZ PHE A 117 -21.639 19.376 -11.618 1.00 44.22 C ATOM 0 H PHE A 117 -18.368 13.829 -9.626 1.00 13.30 H new ATOM 0 HA PHE A 117 -20.388 14.475 -11.527 1.00 24.23 H new ATOM 0 HB2 PHE A 117 -20.166 15.503 -9.273 1.00 21.31 H new ATOM 0 HB3 PHE A 117 -18.629 16.205 -9.735 1.00 21.31 H new ATOM 0 HD1 PHE A 117 -18.537 18.283 -10.889 1.00 10.43 H new ATOM 0 HD2 PHE A 117 -22.269 16.253 -10.519 1.00 15.31 H new ATOM 0 HE1 PHE A 117 -19.701 20.266 -11.751 1.00 55.23 H new ATOM 0 HE2 PHE A 117 -23.434 18.239 -11.378 1.00 73.24 H new ATOM 0 HZ PHE A 117 -22.151 20.249 -11.997 1.00 44.22 H new ATOM 1717 N THR A 118 -19.121 15.060 -13.559 1.00 11.10 N ATOM 1718 CA THR A 118 -18.520 15.576 -14.784 1.00 12.20 C ATOM 1719 C THR A 118 -19.577 16.278 -15.639 1.00 55.34 C ATOM 1720 O THR A 118 -20.653 15.724 -15.887 1.00 12.44 O ATOM 1721 CB THR A 118 -17.860 14.441 -15.604 1.00 32.43 C ATOM 1722 OG1 THR A 118 -16.929 13.717 -14.783 1.00 12.44 O ATOM 1723 CG2 THR A 118 -17.132 14.993 -16.826 1.00 43.10 C ATOM 0 H THR A 118 -19.949 14.484 -13.711 1.00 11.10 H new ATOM 0 HA THR A 118 -17.749 16.292 -14.500 1.00 12.20 H new ATOM 0 HB THR A 118 -18.651 13.772 -15.944 1.00 32.43 H new ATOM 0 HG1 THR A 118 -16.518 13.000 -15.309 1.00 12.44 H new ATOM 0 HG21 THR A 118 -16.679 14.172 -17.381 1.00 43.10 H new ATOM 0 HG22 THR A 118 -17.842 15.516 -17.467 1.00 43.10 H new ATOM 0 HG23 THR A 118 -16.354 15.686 -16.504 1.00 43.10 H new ATOM 1731 N VAL A 119 -19.272 17.495 -16.071 1.00 4.42 N ATOM 1732 CA VAL A 119 -20.176 18.268 -16.912 1.00 45.52 C ATOM 1733 C VAL A 119 -19.903 17.952 -18.383 1.00 13.14 C ATOM 1734 O VAL A 119 -20.732 17.267 -19.016 1.00 31.30 O ATOM 1735 CB VAL A 119 -20.025 19.793 -16.658 1.00 61.33 C ATOM 1736 CG1 VAL A 119 -20.988 20.594 -17.535 1.00 63.22 C ATOM 1737 CG2 VAL A 119 -20.237 20.113 -15.177 1.00 54.25 C ATOM 1738 OXT VAL A 119 -18.836 18.354 -18.892 1.00 0.00 O ATOM 0 H VAL A 119 -18.397 17.971 -15.850 1.00 4.42 H new ATOM 0 HA VAL A 119 -21.199 17.989 -16.660 1.00 45.52 H new ATOM 0 HB VAL A 119 -19.010 20.085 -16.929 1.00 61.33 H new ATOM 0 HG11 VAL A 119 -20.861 21.658 -17.337 1.00 63.22 H new ATOM 0 HG12 VAL A 119 -20.777 20.393 -18.585 1.00 63.22 H new ATOM 0 HG13 VAL A 119 -22.014 20.303 -17.309 1.00 63.22 H new ATOM 0 HG21 VAL A 119 -20.128 21.186 -15.017 1.00 54.25 H new ATOM 0 HG22 VAL A 119 -21.238 19.802 -14.877 1.00 54.25 H new ATOM 0 HG23 VAL A 119 -19.497 19.580 -14.580 1.00 54.25 H new TER 1748 VAL A 119