USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 926 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 56 THR OG1 : rot -162:sc= -0.717 USER MOD Set 1.2: A 59 GLN : amide:sc= -0.758 K(o=-1.5,f=-4.2) USER MOD Set 2.1: A 41 MET CE :methyl -167:sc= 0 (180deg=0) USER MOD Set 2.2: A 45 SER OG : rot 81:sc= 0.694 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.239) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -112:sc= -0.432 USER MOD Single : A 17 SER OG : rot 86:sc= 0.205 USER MOD Single : A 18 ASN : amide:sc=-0.00605 K(o=-0.006,f=-1.8) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -54:sc= 0.63 USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= -0.023 (180deg=-0.204) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00323) USER MOD Single : A 34 ASN : amide:sc= -0.773 K(o=-0.77,f=-2.6!) USER MOD Single : A 43 ASN : amide:sc= -5.02 K(o=-5,f=-3.5) USER MOD Single : A 46 THR OG1 : rot 28:sc= 1.18 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -155:sc= -0.504 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 74:sc= 0.831 USER MOD Single : A 88 LYS NZ :NH3+ -142:sc= 0 (180deg=-1.4) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 98 MET CE :methyl 151:sc= -0.169 (180deg=-1.21) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 108 ASN : amide:sc= -0.813 X(o=-0.81,f=-0.87) USER MOD Single : A 109 MET CE :methyl 179:sc= 0 (180deg=-0.00212) USER MOD Single : A 110 TYR OH : rot -140:sc= -1.05 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0511 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 10.231 3.332 -3.287 1.00 13.00 N ATOM 2 CA GLY A 2 10.117 3.355 -1.841 1.00 45.03 C ATOM 3 C GLY A 2 8.937 2.548 -1.339 1.00 73.13 C ATOM 4 O GLY A 2 9.111 1.519 -0.689 1.00 12.43 O ATOM 0 HA2 GLY A 2 11.034 2.963 -1.401 1.00 45.03 H new ATOM 0 HA3 GLY A 2 10.017 4.387 -1.504 1.00 45.03 H new ATOM 8 N ASN A 3 7.730 3.018 -1.640 1.00 35.15 N ATOM 9 CA ASN A 3 6.515 2.333 -1.214 1.00 21.34 C ATOM 10 C ASN A 3 5.915 1.525 -2.360 1.00 72.22 C ATOM 11 O ASN A 3 5.641 0.332 -2.216 1.00 33.24 O ATOM 12 CB ASN A 3 5.490 3.345 -0.697 1.00 61.01 C ATOM 13 CG ASN A 3 4.447 2.705 0.199 1.00 22.33 C ATOM 14 OD1 ASN A 3 3.286 2.563 -0.185 1.00 44.32 O ATOM 15 ND2 ASN A 3 4.858 2.315 1.399 1.00 63.53 N ATOM 0 H ASN A 3 7.568 3.870 -2.177 1.00 35.15 H new ATOM 0 HA ASN A 3 6.778 1.647 -0.409 1.00 21.34 H new ATOM 0 HB2 ASN A 3 6.006 4.131 -0.146 1.00 61.01 H new ATOM 0 HB3 ASN A 3 4.995 3.821 -1.543 1.00 61.01 H new ATOM 0 HD21 ASN A 3 4.202 1.877 2.046 1.00 63.53 H new ATOM 0 HD22 ASN A 3 5.830 2.453 1.675 1.00 63.53 H new ATOM 22 N LEU A 4 5.713 2.181 -3.498 1.00 4.31 N ATOM 23 CA LEU A 4 5.146 1.524 -4.670 1.00 1.01 C ATOM 24 C LEU A 4 5.912 0.247 -5.002 1.00 44.23 C ATOM 25 O LEU A 4 7.044 0.297 -5.483 1.00 1.41 O ATOM 26 CB LEU A 4 5.167 2.472 -5.870 1.00 0.21 C ATOM 27 CG LEU A 4 6.497 3.173 -6.148 1.00 14.14 C ATOM 28 CD1 LEU A 4 6.782 3.203 -7.642 1.00 22.30 C ATOM 29 CD2 LEU A 4 6.485 4.583 -5.577 1.00 24.24 C ATOM 0 H LEU A 4 5.934 3.168 -3.633 1.00 4.31 H new ATOM 0 HA LEU A 4 4.114 1.258 -4.443 1.00 1.01 H new ATOM 0 HB2 LEU A 4 4.884 1.908 -6.759 1.00 0.21 H new ATOM 0 HB3 LEU A 4 4.402 3.234 -5.719 1.00 0.21 H new ATOM 0 HG LEU A 4 7.292 2.611 -5.659 1.00 14.14 H new ATOM 0 HD11 LEU A 4 7.732 3.706 -7.821 1.00 22.30 H new ATOM 0 HD12 LEU A 4 6.833 2.183 -8.023 1.00 22.30 H new ATOM 0 HD13 LEU A 4 5.985 3.742 -8.154 1.00 22.30 H new ATOM 0 HD21 LEU A 4 7.439 5.067 -5.784 1.00 24.24 H new ATOM 0 HD22 LEU A 4 5.680 5.155 -6.038 1.00 24.24 H new ATOM 0 HD23 LEU A 4 6.327 4.538 -4.499 1.00 24.24 H new ATOM 41 N LYS A 5 5.285 -0.897 -4.744 1.00 20.32 N ATOM 42 CA LYS A 5 5.905 -2.188 -5.018 1.00 72.50 C ATOM 43 C LYS A 5 6.414 -2.253 -6.455 1.00 54.24 C ATOM 44 O LYS A 5 5.689 -1.929 -7.396 1.00 41.05 O ATOM 45 CB LYS A 5 4.906 -3.320 -4.768 1.00 61.32 C ATOM 46 CG LYS A 5 5.563 -4.660 -4.488 1.00 30.34 C ATOM 47 CD LYS A 5 4.713 -5.516 -3.565 1.00 11.55 C ATOM 48 CE LYS A 5 5.345 -6.880 -3.330 1.00 22.25 C ATOM 49 NZ LYS A 5 5.140 -7.793 -4.489 1.00 43.11 N ATOM 0 H LYS A 5 4.348 -0.956 -4.346 1.00 20.32 H new ATOM 0 HA LYS A 5 6.754 -2.306 -4.345 1.00 72.50 H new ATOM 0 HB2 LYS A 5 4.271 -3.053 -3.924 1.00 61.32 H new ATOM 0 HB3 LYS A 5 4.256 -3.418 -5.637 1.00 61.32 H new ATOM 0 HG2 LYS A 5 5.728 -5.189 -5.427 1.00 30.34 H new ATOM 0 HG3 LYS A 5 6.542 -4.499 -4.037 1.00 30.34 H new ATOM 0 HD2 LYS A 5 4.582 -5.005 -2.611 1.00 11.55 H new ATOM 0 HD3 LYS A 5 3.720 -5.643 -3.997 1.00 11.55 H new ATOM 0 HE2 LYS A 5 6.413 -6.759 -3.147 1.00 22.25 H new ATOM 0 HE3 LYS A 5 4.917 -7.329 -2.434 1.00 22.25 H new ATOM 0 HZ1 LYS A 5 5.252 -8.779 -4.178 1.00 43.11 H new ATOM 0 HZ2 LYS A 5 4.183 -7.658 -4.872 1.00 43.11 H new ATOM 0 HZ3 LYS A 5 5.842 -7.580 -5.227 1.00 43.11 H new ATOM 63 N SER A 6 7.664 -2.675 -6.617 1.00 34.13 N ATOM 64 CA SER A 6 8.269 -2.780 -7.939 1.00 4.34 C ATOM 65 C SER A 6 7.430 -3.670 -8.851 1.00 12.05 C ATOM 66 O SER A 6 7.469 -3.536 -10.075 1.00 21.24 O ATOM 67 CB SER A 6 9.690 -3.338 -7.830 1.00 73.34 C ATOM 68 OG SER A 6 10.459 -2.593 -6.903 1.00 45.52 O ATOM 0 H SER A 6 8.277 -2.950 -5.849 1.00 34.13 H new ATOM 0 HA SER A 6 8.311 -1.781 -8.373 1.00 4.34 H new ATOM 0 HB2 SER A 6 9.651 -4.382 -7.520 1.00 73.34 H new ATOM 0 HB3 SER A 6 10.170 -3.314 -8.808 1.00 73.34 H new ATOM 0 HG SER A 6 11.362 -2.970 -6.850 1.00 45.52 H new ATOM 74 N ARG A 7 6.673 -4.580 -8.247 1.00 72.11 N ATOM 75 CA ARG A 7 5.825 -5.493 -9.004 1.00 43.23 C ATOM 76 C ARG A 7 4.549 -4.796 -9.463 1.00 35.32 C ATOM 77 O ARG A 7 4.337 -4.590 -10.659 1.00 43.14 O ATOM 78 CB ARG A 7 5.475 -6.718 -8.156 1.00 75.34 C ATOM 79 CG ARG A 7 6.061 -8.015 -8.688 1.00 55.53 C ATOM 80 CD ARG A 7 7.391 -8.337 -8.026 1.00 65.01 C ATOM 81 NE ARG A 7 7.942 -9.607 -8.492 1.00 51.55 N ATOM 82 CZ ARG A 7 9.155 -10.043 -8.174 1.00 3.24 C ATOM 83 NH1 ARG A 7 9.941 -9.315 -7.394 1.00 31.31 N ATOM 84 NH2 ARG A 7 9.585 -11.210 -8.638 1.00 54.10 N ATOM 0 H ARG A 7 6.630 -4.705 -7.236 1.00 72.11 H new ATOM 0 HA ARG A 7 6.378 -5.816 -9.886 1.00 43.23 H new ATOM 0 HB2 ARG A 7 5.832 -6.559 -7.138 1.00 75.34 H new ATOM 0 HB3 ARG A 7 4.391 -6.814 -8.102 1.00 75.34 H new ATOM 0 HG2 ARG A 7 5.360 -8.831 -8.514 1.00 55.53 H new ATOM 0 HG3 ARG A 7 6.199 -7.938 -9.766 1.00 55.53 H new ATOM 0 HD2 ARG A 7 8.101 -7.536 -8.232 1.00 65.01 H new ATOM 0 HD3 ARG A 7 7.258 -8.375 -6.945 1.00 65.01 H new ATOM 0 HE ARG A 7 7.363 -10.191 -9.095 1.00 51.55 H new ATOM 0 HH11 ARG A 7 9.614 -8.417 -7.036 1.00 31.31 H new ATOM 0 HH12 ARG A 7 10.872 -9.652 -7.151 1.00 31.31 H new ATOM 0 HH21 ARG A 7 8.983 -11.773 -9.239 1.00 54.10 H new ATOM 0 HH22 ARG A 7 10.517 -11.544 -8.393 1.00 54.10 H new ATOM 98 N ASP A 8 3.701 -4.435 -8.506 1.00 60.41 N ATOM 99 CA ASP A 8 2.445 -3.760 -8.812 1.00 42.01 C ATOM 100 C ASP A 8 2.689 -2.511 -9.653 1.00 12.31 C ATOM 101 O ASP A 8 1.884 -2.167 -10.518 1.00 71.33 O ATOM 102 CB ASP A 8 1.715 -3.385 -7.521 1.00 40.42 C ATOM 103 CG ASP A 8 1.713 -4.514 -6.508 1.00 62.11 C ATOM 104 OD1 ASP A 8 1.662 -4.222 -5.294 1.00 52.10 O ATOM 105 OD2 ASP A 8 1.762 -5.688 -6.930 1.00 65.44 O ATOM 0 H ASP A 8 3.861 -4.599 -7.512 1.00 60.41 H new ATOM 0 HA ASP A 8 1.823 -4.447 -9.386 1.00 42.01 H new ATOM 0 HB2 ASP A 8 2.188 -2.507 -7.081 1.00 40.42 H new ATOM 0 HB3 ASP A 8 0.687 -3.109 -7.755 1.00 40.42 H new ATOM 110 N TRP A 9 3.804 -1.839 -9.393 1.00 21.34 N ATOM 111 CA TRP A 9 4.154 -0.628 -10.126 1.00 23.43 C ATOM 112 C TRP A 9 4.541 -0.954 -11.565 1.00 61.35 C ATOM 113 O TRP A 9 3.888 -0.511 -12.510 1.00 55.34 O ATOM 114 CB TRP A 9 5.304 0.101 -9.429 1.00 3.02 C ATOM 115 CG TRP A 9 5.832 1.266 -10.212 1.00 51.44 C ATOM 116 CD1 TRP A 9 7.138 1.533 -10.504 1.00 1.25 C ATOM 117 CD2 TRP A 9 5.063 2.321 -10.800 1.00 51.44 C ATOM 118 NE1 TRP A 9 7.228 2.691 -11.239 1.00 4.51 N ATOM 119 CE2 TRP A 9 5.969 3.193 -11.435 1.00 42.31 C ATOM 120 CE3 TRP A 9 3.697 2.613 -10.854 1.00 34.45 C ATOM 121 CZ2 TRP A 9 5.553 4.335 -12.112 1.00 71.42 C ATOM 122 CZ3 TRP A 9 3.286 3.748 -11.528 1.00 52.34 C ATOM 123 CH2 TRP A 9 4.210 4.597 -12.150 1.00 10.30 C ATOM 0 H TRP A 9 4.481 -2.112 -8.681 1.00 21.34 H new ATOM 0 HA TRP A 9 3.279 0.021 -10.143 1.00 23.43 H new ATOM 0 HB2 TRP A 9 4.964 0.452 -8.454 1.00 3.02 H new ATOM 0 HB3 TRP A 9 6.115 -0.604 -9.249 1.00 3.02 H new ATOM 0 HD1 TRP A 9 7.977 0.924 -10.202 1.00 1.25 H new ATOM 0 HE1 TRP A 9 8.093 3.109 -11.583 1.00 4.51 H new ATOM 0 HE3 TRP A 9 2.976 1.964 -10.378 1.00 34.45 H new ATOM 0 HZ2 TRP A 9 6.264 4.992 -12.591 1.00 71.42 H new ATOM 0 HZ3 TRP A 9 2.233 3.984 -11.576 1.00 52.34 H new ATOM 0 HH2 TRP A 9 3.856 5.475 -12.670 1.00 10.30 H new ATOM 134 N LYS A 10 5.607 -1.731 -11.724 1.00 51.31 N ATOM 135 CA LYS A 10 6.080 -2.119 -13.048 1.00 43.12 C ATOM 136 C LYS A 10 4.979 -2.819 -13.836 1.00 75.24 C ATOM 137 O LYS A 10 4.991 -2.825 -15.066 1.00 2.25 O ATOM 138 CB LYS A 10 7.299 -3.038 -12.927 1.00 40.24 C ATOM 139 CG LYS A 10 7.925 -3.396 -14.264 1.00 62.22 C ATOM 140 CD LYS A 10 7.539 -4.797 -14.703 1.00 41.11 C ATOM 141 CE LYS A 10 7.980 -5.074 -16.132 1.00 53.22 C ATOM 142 NZ LYS A 10 7.679 -6.474 -16.544 1.00 54.03 N ATOM 0 H LYS A 10 6.160 -2.105 -10.953 1.00 51.31 H new ATOM 0 HA LYS A 10 6.366 -1.214 -13.584 1.00 43.12 H new ATOM 0 HB2 LYS A 10 8.049 -2.553 -12.302 1.00 40.24 H new ATOM 0 HB3 LYS A 10 7.003 -3.955 -12.416 1.00 40.24 H new ATOM 0 HG2 LYS A 10 7.608 -2.677 -15.019 1.00 62.22 H new ATOM 0 HG3 LYS A 10 9.010 -3.323 -14.190 1.00 62.22 H new ATOM 0 HD2 LYS A 10 7.993 -5.527 -14.033 1.00 41.11 H new ATOM 0 HD3 LYS A 10 6.459 -4.920 -14.624 1.00 41.11 H new ATOM 0 HE2 LYS A 10 7.479 -4.381 -16.808 1.00 53.22 H new ATOM 0 HE3 LYS A 10 9.051 -4.891 -16.224 1.00 53.22 H new ATOM 0 HZ1 LYS A 10 7.995 -6.623 -17.524 1.00 54.03 H new ATOM 0 HZ2 LYS A 10 8.177 -7.136 -15.915 1.00 54.03 H new ATOM 0 HZ3 LYS A 10 6.655 -6.642 -16.481 1.00 54.03 H new ATOM 156 N MET A 11 4.026 -3.407 -13.119 1.00 2.20 N ATOM 157 CA MET A 11 2.916 -4.107 -13.753 1.00 54.43 C ATOM 158 C MET A 11 1.851 -3.122 -14.227 1.00 11.44 C ATOM 159 O MET A 11 1.282 -3.281 -15.308 1.00 43.35 O ATOM 160 CB MET A 11 2.298 -5.114 -12.781 1.00 40.22 C ATOM 161 CG MET A 11 1.241 -6.004 -13.417 1.00 31.22 C ATOM 162 SD MET A 11 0.477 -7.129 -12.233 1.00 3.14 S ATOM 163 CE MET A 11 1.557 -8.551 -12.374 1.00 41.04 C ATOM 0 H MET A 11 4.001 -3.412 -12.099 1.00 2.20 H new ATOM 0 HA MET A 11 3.304 -4.641 -14.620 1.00 54.43 H new ATOM 0 HB2 MET A 11 3.089 -5.741 -12.369 1.00 40.22 H new ATOM 0 HB3 MET A 11 1.852 -4.574 -11.946 1.00 40.22 H new ATOM 0 HG2 MET A 11 0.470 -5.380 -13.869 1.00 31.22 H new ATOM 0 HG3 MET A 11 1.695 -6.583 -14.222 1.00 31.22 H new ATOM 0 HE1 MET A 11 1.214 -9.336 -11.700 1.00 41.04 H new ATOM 0 HE2 MET A 11 1.541 -8.920 -13.399 1.00 41.04 H new ATOM 0 HE3 MET A 11 2.574 -8.263 -12.108 1.00 41.04 H new ATOM 173 N ALA A 12 1.587 -2.105 -13.413 1.00 41.41 N ATOM 174 CA ALA A 12 0.593 -1.095 -13.751 1.00 22.12 C ATOM 175 C ALA A 12 1.011 -0.305 -14.986 1.00 24.11 C ATOM 176 O ALA A 12 0.181 0.025 -15.834 1.00 12.22 O ATOM 177 CB ALA A 12 0.372 -0.158 -12.572 1.00 41.30 C ATOM 0 H ALA A 12 2.048 -1.959 -12.515 1.00 41.41 H new ATOM 0 HA ALA A 12 -0.344 -1.604 -13.978 1.00 22.12 H new ATOM 0 HB1 ALA A 12 -0.373 0.592 -12.838 1.00 41.30 H new ATOM 0 HB2 ALA A 12 0.021 -0.730 -11.713 1.00 41.30 H new ATOM 0 HB3 ALA A 12 1.310 0.336 -12.319 1.00 41.30 H new ATOM 183 N ILE A 13 2.302 -0.002 -15.081 1.00 50.44 N ATOM 184 CA ILE A 13 2.829 0.749 -16.213 1.00 52.20 C ATOM 185 C ILE A 13 2.957 -0.135 -17.448 1.00 2.32 C ATOM 186 O ILE A 13 2.599 0.269 -18.554 1.00 14.25 O ATOM 187 CB ILE A 13 4.204 1.362 -15.890 1.00 21.34 C ATOM 188 CG1 ILE A 13 4.089 2.336 -14.716 1.00 63.32 C ATOM 189 CG2 ILE A 13 4.772 2.064 -17.114 1.00 72.32 C ATOM 190 CD1 ILE A 13 3.309 3.590 -15.045 1.00 42.21 C ATOM 0 H ILE A 13 3.002 -0.265 -14.387 1.00 50.44 H new ATOM 0 HA ILE A 13 2.120 1.552 -16.416 1.00 52.20 H new ATOM 0 HB ILE A 13 4.886 0.560 -15.607 1.00 21.34 H new ATOM 0 HG12 ILE A 13 3.609 1.829 -13.879 1.00 63.32 H new ATOM 0 HG13 ILE A 13 5.090 2.616 -14.387 1.00 63.32 H new ATOM 0 HG21 ILE A 13 5.744 2.492 -16.869 1.00 72.32 H new ATOM 0 HG22 ILE A 13 4.886 1.345 -17.926 1.00 72.32 H new ATOM 0 HG23 ILE A 13 4.094 2.858 -17.425 1.00 72.32 H new ATOM 0 HD11 ILE A 13 3.268 4.234 -14.167 1.00 42.21 H new ATOM 0 HD12 ILE A 13 3.800 4.120 -15.861 1.00 42.21 H new ATOM 0 HD13 ILE A 13 2.296 3.320 -15.345 1.00 42.21 H new ATOM 202 N LYS A 14 3.467 -1.347 -17.252 1.00 21.14 N ATOM 203 CA LYS A 14 3.641 -2.291 -18.349 1.00 40.43 C ATOM 204 C LYS A 14 2.291 -2.724 -18.912 1.00 15.43 C ATOM 205 O LYS A 14 2.139 -2.897 -20.122 1.00 45.04 O ATOM 206 CB LYS A 14 4.424 -3.518 -17.874 1.00 73.44 C ATOM 207 CG LYS A 14 4.822 -4.458 -18.998 1.00 14.42 C ATOM 208 CD LYS A 14 5.920 -3.862 -19.862 1.00 41.14 C ATOM 209 CE LYS A 14 6.677 -4.939 -20.624 1.00 73.43 C ATOM 210 NZ LYS A 14 8.057 -4.505 -20.974 1.00 32.13 N ATOM 0 H LYS A 14 3.767 -1.698 -16.343 1.00 21.14 H new ATOM 0 HA LYS A 14 4.202 -1.793 -19.139 1.00 40.43 H new ATOM 0 HB2 LYS A 14 5.323 -3.186 -17.354 1.00 73.44 H new ATOM 0 HB3 LYS A 14 3.821 -4.066 -17.150 1.00 73.44 H new ATOM 0 HG2 LYS A 14 5.162 -5.405 -18.578 1.00 14.42 H new ATOM 0 HG3 LYS A 14 3.951 -4.677 -19.615 1.00 14.42 H new ATOM 0 HD2 LYS A 14 5.485 -3.154 -20.567 1.00 41.14 H new ATOM 0 HD3 LYS A 14 6.614 -3.302 -19.235 1.00 41.14 H new ATOM 0 HE2 LYS A 14 6.724 -5.846 -20.021 1.00 73.43 H new ATOM 0 HE3 LYS A 14 6.133 -5.190 -21.535 1.00 73.43 H new ATOM 0 HZ1 LYS A 14 8.540 -5.267 -21.492 1.00 32.13 H new ATOM 0 HZ2 LYS A 14 8.013 -3.654 -21.571 1.00 32.13 H new ATOM 0 HZ3 LYS A 14 8.585 -4.290 -20.104 1.00 32.13 H new ATOM 224 N ARG A 15 1.313 -2.895 -18.028 1.00 31.11 N ATOM 225 CA ARG A 15 -0.025 -3.307 -18.438 1.00 24.21 C ATOM 226 C ARG A 15 -0.724 -2.192 -19.211 1.00 23.21 C ATOM 227 O ARG A 15 -1.079 -2.360 -20.378 1.00 61.02 O ATOM 228 CB ARG A 15 -0.858 -3.696 -17.216 1.00 13.21 C ATOM 229 CG ARG A 15 -2.169 -4.383 -17.567 1.00 62.51 C ATOM 230 CD ARG A 15 -1.935 -5.652 -18.371 1.00 42.52 C ATOM 231 NE ARG A 15 -0.923 -6.509 -17.758 1.00 20.14 N ATOM 232 CZ ARG A 15 -0.386 -7.562 -18.365 1.00 2.10 C ATOM 233 NH1 ARG A 15 -0.762 -7.886 -19.595 1.00 61.54 N ATOM 234 NH2 ARG A 15 0.529 -8.293 -17.742 1.00 31.33 N ATOM 0 H ARG A 15 1.422 -2.755 -17.024 1.00 31.11 H new ATOM 0 HA ARG A 15 0.073 -4.173 -19.093 1.00 24.21 H new ATOM 0 HB2 ARG A 15 -0.269 -4.358 -16.581 1.00 13.21 H new ATOM 0 HB3 ARG A 15 -1.071 -2.801 -16.632 1.00 13.21 H new ATOM 0 HG2 ARG A 15 -2.710 -4.625 -16.652 1.00 62.51 H new ATOM 0 HG3 ARG A 15 -2.798 -3.700 -18.138 1.00 62.51 H new ATOM 0 HD2 ARG A 15 -2.871 -6.203 -18.460 1.00 42.52 H new ATOM 0 HD3 ARG A 15 -1.623 -5.389 -19.382 1.00 42.52 H new ATOM 0 HE ARG A 15 -0.612 -6.287 -16.812 1.00 20.14 H new ATOM 0 HH11 ARG A 15 -1.465 -7.326 -20.077 1.00 61.54 H new ATOM 0 HH12 ARG A 15 -0.348 -8.695 -20.058 1.00 61.54 H new ATOM 0 HH21 ARG A 15 0.821 -8.047 -16.796 1.00 31.33 H new ATOM 0 HH22 ARG A 15 0.941 -9.101 -18.209 1.00 31.33 H new ATOM 248 N CYS A 16 -0.918 -1.055 -18.552 1.00 64.01 N ATOM 249 CA CYS A 16 -1.576 0.088 -19.175 1.00 13.53 C ATOM 250 C CYS A 16 -0.809 0.549 -20.410 1.00 13.53 C ATOM 251 O CYS A 16 -1.364 1.216 -21.284 1.00 1.13 O ATOM 252 CB CYS A 16 -1.698 1.239 -18.177 1.00 33.23 C ATOM 253 SG CYS A 16 -3.171 2.262 -18.407 1.00 52.34 S ATOM 0 H CYS A 16 -0.629 -0.900 -17.586 1.00 64.01 H new ATOM 0 HA CYS A 16 -2.574 -0.222 -19.484 1.00 13.53 H new ATOM 0 HB2 CYS A 16 -1.707 0.830 -17.167 1.00 33.23 H new ATOM 0 HB3 CYS A 16 -0.814 1.871 -18.258 1.00 33.23 H new ATOM 0 HG CYS A 16 -2.818 3.447 -18.808 1.00 52.34 H new ATOM 259 N SER A 17 0.468 0.189 -20.476 1.00 22.25 N ATOM 260 CA SER A 17 1.313 0.570 -21.602 1.00 73.21 C ATOM 261 C SER A 17 0.706 0.100 -22.921 1.00 61.44 C ATOM 262 O SER A 17 0.973 0.670 -23.978 1.00 44.44 O ATOM 263 CB SER A 17 2.716 -0.017 -21.436 1.00 24.24 C ATOM 264 OG SER A 17 3.662 0.998 -21.150 1.00 23.43 O ATOM 0 H SER A 17 0.941 -0.366 -19.763 1.00 22.25 H new ATOM 0 HA SER A 17 1.382 1.658 -21.621 1.00 73.21 H new ATOM 0 HB2 SER A 17 2.713 -0.753 -20.632 1.00 24.24 H new ATOM 0 HB3 SER A 17 3.005 -0.541 -22.347 1.00 24.24 H new ATOM 0 HG SER A 17 3.674 1.172 -20.186 1.00 23.43 H new ATOM 270 N ASN A 18 -0.114 -0.943 -22.848 1.00 4.44 N ATOM 271 CA ASN A 18 -0.760 -1.492 -24.036 1.00 2.51 C ATOM 272 C ASN A 18 -2.163 -0.919 -24.205 1.00 44.53 C ATOM 273 O ASN A 18 -3.042 -1.560 -24.782 1.00 43.35 O ATOM 274 CB ASN A 18 -0.826 -3.019 -23.946 1.00 33.51 C ATOM 275 CG ASN A 18 0.528 -3.669 -24.154 1.00 51.11 C ATOM 276 OD1 ASN A 18 1.566 -3.019 -24.035 1.00 12.25 O ATOM 277 ND2 ASN A 18 0.522 -4.960 -24.466 1.00 63.33 N ATOM 0 H ASN A 18 -0.347 -1.425 -21.980 1.00 4.44 H new ATOM 0 HA ASN A 18 -0.166 -1.212 -24.906 1.00 2.51 H new ATOM 0 HB2 ASN A 18 -1.218 -3.306 -22.970 1.00 33.51 H new ATOM 0 HB3 ASN A 18 -1.525 -3.394 -24.693 1.00 33.51 H new ATOM 0 HD21 ASN A 18 1.402 -5.452 -24.617 1.00 63.33 H new ATOM 0 HD22 ASN A 18 -0.363 -5.459 -24.554 1.00 63.33 H new ATOM 284 N VAL A 19 -2.367 0.292 -23.697 1.00 34.41 N ATOM 285 CA VAL A 19 -3.663 0.953 -23.793 1.00 12.51 C ATOM 286 C VAL A 19 -3.625 2.094 -24.804 1.00 62.32 C ATOM 287 O VAL A 19 -2.619 2.790 -24.930 1.00 33.23 O ATOM 288 CB VAL A 19 -4.115 1.505 -22.428 1.00 0.04 C ATOM 289 CG1 VAL A 19 -5.450 2.223 -22.557 1.00 4.14 C ATOM 290 CG2 VAL A 19 -4.198 0.386 -21.402 1.00 52.50 C ATOM 0 H VAL A 19 -1.651 0.835 -23.215 1.00 34.41 H new ATOM 0 HA VAL A 19 -4.378 0.200 -24.126 1.00 12.51 H new ATOM 0 HB VAL A 19 -3.374 2.227 -22.084 1.00 0.04 H new ATOM 0 HG11 VAL A 19 -5.753 2.606 -21.582 1.00 4.14 H new ATOM 0 HG12 VAL A 19 -5.351 3.052 -23.258 1.00 4.14 H new ATOM 0 HG13 VAL A 19 -6.204 1.526 -22.923 1.00 4.14 H new ATOM 0 HG21 VAL A 19 -4.519 0.794 -20.444 1.00 52.50 H new ATOM 0 HG22 VAL A 19 -4.917 -0.362 -21.737 1.00 52.50 H new ATOM 0 HG23 VAL A 19 -3.218 -0.078 -21.289 1.00 52.50 H new ATOM 300 N ALA A 20 -4.729 2.281 -25.519 1.00 12.31 N ATOM 301 CA ALA A 20 -4.824 3.339 -26.517 1.00 24.20 C ATOM 302 C ALA A 20 -5.275 4.651 -25.884 1.00 33.03 C ATOM 303 O ALA A 20 -5.874 4.659 -24.809 1.00 60.32 O ATOM 304 CB ALA A 20 -5.776 2.933 -27.630 1.00 54.34 C ATOM 0 H ALA A 20 -5.571 1.713 -25.426 1.00 12.31 H new ATOM 0 HA ALA A 20 -3.832 3.493 -26.942 1.00 24.20 H new ATOM 0 HB1 ALA A 20 -5.836 3.733 -28.367 1.00 54.34 H new ATOM 0 HB2 ALA A 20 -5.410 2.025 -28.109 1.00 54.34 H new ATOM 0 HB3 ALA A 20 -6.766 2.749 -27.213 1.00 54.34 H new ATOM 310 N VAL A 21 -4.984 5.759 -26.558 1.00 31.03 N ATOM 311 CA VAL A 21 -5.360 7.077 -26.061 1.00 34.33 C ATOM 312 C VAL A 21 -6.855 7.324 -26.235 1.00 64.00 C ATOM 313 O VAL A 21 -7.466 8.065 -25.466 1.00 55.44 O ATOM 314 CB VAL A 21 -4.580 8.193 -26.782 1.00 34.11 C ATOM 315 CG1 VAL A 21 -4.726 8.058 -28.290 1.00 12.44 C ATOM 316 CG2 VAL A 21 -5.052 9.561 -26.313 1.00 32.44 C ATOM 0 H VAL A 21 -4.489 5.770 -27.450 1.00 31.03 H new ATOM 0 HA VAL A 21 -5.112 7.097 -25.000 1.00 34.33 H new ATOM 0 HB VAL A 21 -3.524 8.093 -26.533 1.00 34.11 H new ATOM 0 HG11 VAL A 21 -4.168 8.855 -28.782 1.00 12.44 H new ATOM 0 HG12 VAL A 21 -4.335 7.091 -28.608 1.00 12.44 H new ATOM 0 HG13 VAL A 21 -5.779 8.131 -28.562 1.00 12.44 H new ATOM 0 HG21 VAL A 21 -4.490 10.337 -26.832 1.00 32.44 H new ATOM 0 HG22 VAL A 21 -6.114 9.674 -26.531 1.00 32.44 H new ATOM 0 HG23 VAL A 21 -4.890 9.653 -25.239 1.00 32.44 H new ATOM 326 N GLY A 22 -7.438 6.696 -27.251 1.00 11.43 N ATOM 327 CA GLY A 22 -8.858 6.859 -27.508 1.00 21.02 C ATOM 328 C GLY A 22 -9.271 6.299 -28.855 1.00 73.52 C ATOM 329 O GLY A 22 -8.459 5.706 -29.565 1.00 72.42 O ATOM 0 H GLY A 22 -6.953 6.077 -27.901 1.00 11.43 H new ATOM 0 HA2 GLY A 22 -9.426 6.362 -26.722 1.00 21.02 H new ATOM 0 HA3 GLY A 22 -9.113 7.918 -27.464 1.00 21.02 H new ATOM 333 N VAL A 23 -10.539 6.487 -29.208 1.00 63.40 N ATOM 334 CA VAL A 23 -11.059 5.996 -30.478 1.00 72.22 C ATOM 335 C VAL A 23 -11.125 7.113 -31.514 1.00 22.22 C ATOM 336 O VAL A 23 -11.046 6.865 -32.716 1.00 1.13 O ATOM 337 CB VAL A 23 -12.463 5.384 -30.311 1.00 70.51 C ATOM 338 CG1 VAL A 23 -12.424 4.215 -29.337 1.00 32.43 C ATOM 339 CG2 VAL A 23 -13.453 6.442 -29.846 1.00 54.33 C ATOM 0 H VAL A 23 -11.224 6.976 -28.632 1.00 63.40 H new ATOM 0 HA VAL A 23 -10.372 5.223 -30.823 1.00 72.22 H new ATOM 0 HB VAL A 23 -12.794 5.009 -31.279 1.00 70.51 H new ATOM 0 HG11 VAL A 23 -13.425 3.796 -29.232 1.00 32.43 H new ATOM 0 HG12 VAL A 23 -11.747 3.449 -29.715 1.00 32.43 H new ATOM 0 HG13 VAL A 23 -12.072 4.562 -28.366 1.00 32.43 H new ATOM 0 HG21 VAL A 23 -14.440 5.993 -29.733 1.00 54.33 H new ATOM 0 HG22 VAL A 23 -13.128 6.849 -28.888 1.00 54.33 H new ATOM 0 HG23 VAL A 23 -13.502 7.244 -30.583 1.00 54.33 H new ATOM 349 N GLY A 24 -11.268 8.346 -31.038 1.00 31.22 N ATOM 350 CA GLY A 24 -11.342 9.484 -31.936 1.00 5.12 C ATOM 351 C GLY A 24 -9.998 9.824 -32.552 1.00 41.04 C ATOM 352 O GLY A 24 -9.892 10.012 -33.762 1.00 12.33 O ATOM 0 H GLY A 24 -11.334 8.577 -30.047 1.00 31.22 H new ATOM 0 HA2 GLY A 24 -12.059 9.271 -32.729 1.00 5.12 H new ATOM 0 HA3 GLY A 24 -11.718 10.350 -31.391 1.00 5.12 H new ATOM 356 N GLY A 25 -8.968 9.905 -31.714 1.00 14.40 N ATOM 357 CA GLY A 25 -7.639 10.226 -32.201 1.00 13.20 C ATOM 358 C GLY A 25 -6.967 9.045 -32.871 1.00 31.35 C ATOM 359 O GLY A 25 -7.614 8.045 -33.182 1.00 41.12 O ATOM 0 H GLY A 25 -9.031 9.754 -30.707 1.00 14.40 H new ATOM 0 HA2 GLY A 25 -7.704 11.052 -32.909 1.00 13.20 H new ATOM 0 HA3 GLY A 25 -7.023 10.567 -31.369 1.00 13.20 H new ATOM 363 N LYS A 26 -5.663 9.160 -33.099 1.00 2.21 N ATOM 364 CA LYS A 26 -4.900 8.093 -33.738 1.00 23.52 C ATOM 365 C LYS A 26 -4.810 6.870 -32.832 1.00 64.44 C ATOM 366 O LYS A 26 -5.196 6.921 -31.664 1.00 71.12 O ATOM 367 CB LYS A 26 -3.493 8.585 -34.089 1.00 14.21 C ATOM 368 CG LYS A 26 -3.286 8.824 -35.575 1.00 55.23 C ATOM 369 CD LYS A 26 -4.084 10.021 -36.064 1.00 21.22 C ATOM 370 CE LYS A 26 -4.373 9.928 -37.554 1.00 13.30 C ATOM 371 NZ LYS A 26 -5.810 9.642 -37.822 1.00 62.04 N ATOM 0 H LYS A 26 -5.112 9.982 -32.851 1.00 2.21 H new ATOM 0 HA LYS A 26 -5.419 7.808 -34.653 1.00 23.52 H new ATOM 0 HB2 LYS A 26 -3.296 9.511 -33.549 1.00 14.21 H new ATOM 0 HB3 LYS A 26 -2.764 7.853 -33.742 1.00 14.21 H new ATOM 0 HG2 LYS A 26 -2.227 8.986 -35.774 1.00 55.23 H new ATOM 0 HG3 LYS A 26 -3.583 7.935 -36.132 1.00 55.23 H new ATOM 0 HD2 LYS A 26 -5.023 10.083 -35.514 1.00 21.22 H new ATOM 0 HD3 LYS A 26 -3.531 10.937 -35.856 1.00 21.22 H new ATOM 0 HE2 LYS A 26 -4.092 10.864 -38.038 1.00 13.30 H new ATOM 0 HE3 LYS A 26 -3.758 9.144 -37.995 1.00 13.30 H new ATOM 0 HZ1 LYS A 26 -5.967 9.586 -38.849 1.00 62.04 H new ATOM 0 HZ2 LYS A 26 -6.072 8.737 -37.382 1.00 62.04 H new ATOM 0 HZ3 LYS A 26 -6.396 10.403 -37.423 1.00 62.04 H new ATOM 385 N SER A 27 -4.298 5.772 -33.376 1.00 31.03 N ATOM 386 CA SER A 27 -4.160 4.534 -32.618 1.00 65.33 C ATOM 387 C SER A 27 -2.811 4.481 -31.906 1.00 35.03 C ATOM 388 O SER A 27 -2.020 3.562 -32.119 1.00 1.30 O ATOM 389 CB SER A 27 -4.310 3.324 -33.542 1.00 73.24 C ATOM 390 OG SER A 27 -4.117 2.113 -32.832 1.00 73.44 O ATOM 0 H SER A 27 -3.971 5.714 -34.340 1.00 31.03 H new ATOM 0 HA SER A 27 -4.950 4.507 -31.867 1.00 65.33 H new ATOM 0 HB2 SER A 27 -5.301 3.329 -33.995 1.00 73.24 H new ATOM 0 HB3 SER A 27 -3.587 3.392 -34.355 1.00 73.24 H new ATOM 0 HG SER A 27 -3.253 2.139 -32.370 1.00 73.44 H new ATOM 396 N LYS A 28 -2.556 5.472 -31.060 1.00 62.32 N ATOM 397 CA LYS A 28 -1.305 5.540 -30.315 1.00 63.43 C ATOM 398 C LYS A 28 -1.490 5.021 -28.893 1.00 2.11 C ATOM 399 O LYS A 28 -2.542 5.209 -28.283 1.00 32.41 O ATOM 400 CB LYS A 28 -0.785 6.979 -30.280 1.00 74.33 C ATOM 401 CG LYS A 28 0.259 7.276 -31.344 1.00 42.55 C ATOM 402 CD LYS A 28 0.831 8.675 -31.189 1.00 11.33 C ATOM 403 CE LYS A 28 2.345 8.646 -31.058 1.00 1.44 C ATOM 404 NZ LYS A 28 2.783 7.917 -29.835 1.00 51.15 N ATOM 0 H LYS A 28 -3.200 6.240 -30.873 1.00 62.32 H new ATOM 0 HA LYS A 28 -0.575 4.909 -30.822 1.00 63.43 H new ATOM 0 HB2 LYS A 28 -1.624 7.663 -30.406 1.00 74.33 H new ATOM 0 HB3 LYS A 28 -0.357 7.178 -29.298 1.00 74.33 H new ATOM 0 HG2 LYS A 28 1.064 6.544 -31.280 1.00 42.55 H new ATOM 0 HG3 LYS A 28 -0.188 7.172 -32.333 1.00 42.55 H new ATOM 0 HD2 LYS A 28 0.551 9.281 -32.050 1.00 11.33 H new ATOM 0 HD3 LYS A 28 0.398 9.151 -30.309 1.00 11.33 H new ATOM 0 HE2 LYS A 28 2.776 8.170 -31.938 1.00 1.44 H new ATOM 0 HE3 LYS A 28 2.726 9.667 -31.028 1.00 1.44 H new ATOM 0 HZ1 LYS A 28 3.736 8.233 -29.565 1.00 51.15 H new ATOM 0 HZ2 LYS A 28 2.120 8.113 -29.058 1.00 51.15 H new ATOM 0 HZ3 LYS A 28 2.799 6.895 -30.027 1.00 51.15 H new ATOM 418 N LYS A 29 -0.458 4.367 -28.368 1.00 50.33 N ATOM 419 CA LYS A 29 -0.505 3.822 -27.017 1.00 44.23 C ATOM 420 C LYS A 29 0.251 4.719 -26.042 1.00 70.53 C ATOM 421 O LYS A 29 1.168 5.442 -26.431 1.00 33.50 O ATOM 422 CB LYS A 29 0.088 2.411 -26.992 1.00 71.14 C ATOM 423 CG LYS A 29 -0.636 1.431 -27.900 1.00 62.42 C ATOM 424 CD LYS A 29 0.288 0.321 -28.370 1.00 32.20 C ATOM 425 CE LYS A 29 -0.422 -1.024 -28.389 1.00 72.03 C ATOM 426 NZ LYS A 29 -1.517 -1.059 -29.398 1.00 2.55 N ATOM 0 H LYS A 29 0.421 4.202 -28.859 1.00 50.33 H new ATOM 0 HA LYS A 29 -1.549 3.776 -26.707 1.00 44.23 H new ATOM 0 HB2 LYS A 29 1.136 2.461 -27.287 1.00 71.14 H new ATOM 0 HB3 LYS A 29 0.063 2.033 -25.970 1.00 71.14 H new ATOM 0 HG2 LYS A 29 -1.484 0.999 -27.368 1.00 62.42 H new ATOM 0 HG3 LYS A 29 -1.037 1.962 -28.763 1.00 62.42 H new ATOM 0 HD2 LYS A 29 0.658 0.553 -29.369 1.00 32.20 H new ATOM 0 HD3 LYS A 29 1.156 0.266 -27.713 1.00 32.20 H new ATOM 0 HE2 LYS A 29 0.299 -1.812 -28.608 1.00 72.03 H new ATOM 0 HE3 LYS A 29 -0.832 -1.232 -27.401 1.00 72.03 H new ATOM 0 HZ1 LYS A 29 -1.954 -2.003 -29.404 1.00 2.55 H new ATOM 0 HZ2 LYS A 29 -2.235 -0.347 -29.156 1.00 2.55 H new ATOM 0 HZ3 LYS A 29 -1.128 -0.852 -30.340 1.00 2.55 H new ATOM 440 N PHE A 30 -0.139 4.668 -24.772 1.00 13.54 N ATOM 441 CA PHE A 30 0.502 5.476 -23.742 1.00 34.01 C ATOM 442 C PHE A 30 1.829 4.857 -23.312 1.00 10.35 C ATOM 443 O PHE A 30 2.054 3.660 -23.489 1.00 73.32 O ATOM 444 CB PHE A 30 -0.421 5.622 -22.530 1.00 33.34 C ATOM 445 CG PHE A 30 -1.251 6.873 -22.557 1.00 74.34 C ATOM 446 CD1 PHE A 30 -1.375 7.664 -21.426 1.00 10.12 C ATOM 447 CD2 PHE A 30 -1.910 7.259 -23.714 1.00 62.01 C ATOM 448 CE1 PHE A 30 -2.139 8.816 -21.448 1.00 2.10 C ATOM 449 CE2 PHE A 30 -2.675 8.410 -23.742 1.00 22.12 C ATOM 450 CZ PHE A 30 -2.790 9.188 -22.607 1.00 21.22 C ATOM 0 H PHE A 30 -0.896 4.075 -24.432 1.00 13.54 H new ATOM 0 HA PHE A 30 0.700 6.463 -24.161 1.00 34.01 H new ATOM 0 HB2 PHE A 30 -1.083 4.757 -22.481 1.00 33.34 H new ATOM 0 HB3 PHE A 30 0.181 5.614 -21.622 1.00 33.34 H new ATOM 0 HD1 PHE A 30 -0.869 7.377 -20.516 1.00 10.12 H new ATOM 0 HD2 PHE A 30 -1.825 6.653 -24.604 1.00 62.01 H new ATOM 0 HE1 PHE A 30 -2.226 9.424 -20.560 1.00 2.10 H new ATOM 0 HE2 PHE A 30 -3.182 8.700 -24.650 1.00 22.12 H new ATOM 0 HZ PHE A 30 -3.389 10.087 -22.626 1.00 21.22 H new ATOM 460 N GLY A 31 2.705 5.682 -22.748 1.00 62.42 N ATOM 461 CA GLY A 31 3.999 5.199 -22.303 1.00 52.30 C ATOM 462 C GLY A 31 4.300 5.584 -20.868 1.00 63.21 C ATOM 463 O GLY A 31 3.420 6.053 -20.148 1.00 72.52 O ATOM 0 H GLY A 31 2.542 6.677 -22.591 1.00 62.42 H new ATOM 0 HA2 GLY A 31 4.031 4.114 -22.399 1.00 52.30 H new ATOM 0 HA3 GLY A 31 4.776 5.599 -22.954 1.00 52.30 H new ATOM 467 N GLU A 32 5.546 5.385 -20.452 1.00 64.11 N ATOM 468 CA GLU A 32 5.960 5.713 -19.092 1.00 53.12 C ATOM 469 C GLU A 32 5.875 7.216 -18.847 1.00 23.33 C ATOM 470 O GLU A 32 5.413 7.661 -17.796 1.00 12.43 O ATOM 471 CB GLU A 32 7.385 5.222 -18.836 1.00 2.42 C ATOM 472 CG GLU A 32 8.403 5.761 -19.828 1.00 51.42 C ATOM 473 CD GLU A 32 9.160 6.961 -19.292 1.00 50.51 C ATOM 474 OE1 GLU A 32 8.717 7.536 -18.276 1.00 52.23 O ATOM 475 OE2 GLU A 32 10.193 7.325 -19.890 1.00 45.32 O ATOM 0 H GLU A 32 6.287 4.998 -21.037 1.00 64.11 H new ATOM 0 HA GLU A 32 5.283 5.211 -18.401 1.00 53.12 H new ATOM 0 HB2 GLU A 32 7.684 5.511 -17.828 1.00 2.42 H new ATOM 0 HB3 GLU A 32 7.397 4.133 -18.872 1.00 2.42 H new ATOM 0 HG2 GLU A 32 9.112 4.972 -20.081 1.00 51.42 H new ATOM 0 HG3 GLU A 32 7.894 6.040 -20.751 1.00 51.42 H new ATOM 482 N GLY A 33 6.329 7.996 -19.824 1.00 71.24 N ATOM 483 CA GLY A 33 6.298 9.442 -19.695 1.00 41.53 C ATOM 484 C GLY A 33 4.886 9.990 -19.655 1.00 54.15 C ATOM 485 O GLY A 33 4.606 10.952 -18.941 1.00 5.34 O ATOM 0 H GLY A 33 6.718 7.653 -20.702 1.00 71.24 H new ATOM 0 HA2 GLY A 33 6.824 9.734 -18.786 1.00 41.53 H new ATOM 0 HA3 GLY A 33 6.835 9.890 -20.531 1.00 41.53 H new ATOM 489 N ASN A 34 3.992 9.376 -20.425 1.00 24.21 N ATOM 490 CA ASN A 34 2.600 9.811 -20.476 1.00 4.44 C ATOM 491 C ASN A 34 1.908 9.576 -19.137 1.00 73.21 C ATOM 492 O ASN A 34 1.291 10.482 -18.577 1.00 13.13 O ATOM 493 CB ASN A 34 1.854 9.070 -21.586 1.00 2.24 C ATOM 494 CG ASN A 34 2.459 9.317 -22.955 1.00 60.14 C ATOM 495 OD1 ASN A 34 3.518 9.932 -23.076 1.00 72.41 O ATOM 496 ND2 ASN A 34 1.785 8.838 -23.995 1.00 45.30 N ATOM 0 H ASN A 34 4.206 8.577 -21.021 1.00 24.21 H new ATOM 0 HA ASN A 34 2.586 10.880 -20.689 1.00 4.44 H new ATOM 0 HB2 ASN A 34 1.864 8.001 -21.375 1.00 2.24 H new ATOM 0 HB3 ASN A 34 0.810 9.384 -21.591 1.00 2.24 H new ATOM 0 HD21 ASN A 34 2.142 8.974 -24.941 1.00 45.30 H new ATOM 0 HD22 ASN A 34 0.911 8.334 -23.848 1.00 45.30 H new ATOM 503 N PHE A 35 2.016 8.353 -18.628 1.00 53.31 N ATOM 504 CA PHE A 35 1.399 7.998 -17.354 1.00 32.12 C ATOM 505 C PHE A 35 1.996 8.818 -16.215 1.00 41.31 C ATOM 506 O PHE A 35 1.328 9.093 -15.218 1.00 72.33 O ATOM 507 CB PHE A 35 1.581 6.505 -17.074 1.00 23.14 C ATOM 508 CG PHE A 35 0.823 5.620 -18.022 1.00 51.30 C ATOM 509 CD1 PHE A 35 -0.512 5.866 -18.304 1.00 25.33 C ATOM 510 CD2 PHE A 35 1.445 4.541 -18.632 1.00 72.24 C ATOM 511 CE1 PHE A 35 -1.212 5.055 -19.175 1.00 15.35 C ATOM 512 CE2 PHE A 35 0.749 3.726 -19.504 1.00 72.21 C ATOM 513 CZ PHE A 35 -0.581 3.983 -19.776 1.00 55.32 C ATOM 0 H PHE A 35 2.524 7.591 -19.077 1.00 53.31 H new ATOM 0 HA PHE A 35 0.334 8.221 -17.419 1.00 32.12 H new ATOM 0 HB2 PHE A 35 2.642 6.260 -17.130 1.00 23.14 H new ATOM 0 HB3 PHE A 35 1.258 6.293 -16.055 1.00 23.14 H new ATOM 0 HD1 PHE A 35 -1.011 6.702 -17.837 1.00 25.33 H new ATOM 0 HD2 PHE A 35 2.485 4.336 -18.423 1.00 72.24 H new ATOM 0 HE1 PHE A 35 -2.251 5.258 -19.386 1.00 15.35 H new ATOM 0 HE2 PHE A 35 1.244 2.889 -19.973 1.00 72.21 H new ATOM 0 HZ PHE A 35 -1.126 3.347 -20.457 1.00 55.32 H new ATOM 523 N ARG A 36 3.258 9.203 -16.368 1.00 24.15 N ATOM 524 CA ARG A 36 3.948 9.989 -15.352 1.00 55.40 C ATOM 525 C ARG A 36 3.308 11.367 -15.205 1.00 11.20 C ATOM 526 O ARG A 36 2.861 11.742 -14.121 1.00 44.12 O ATOM 527 CB ARG A 36 5.427 10.137 -15.707 1.00 63.01 C ATOM 528 CG ARG A 36 6.341 9.228 -14.902 1.00 63.30 C ATOM 529 CD ARG A 36 7.458 8.657 -15.762 1.00 10.23 C ATOM 530 NE ARG A 36 8.779 8.966 -15.221 1.00 42.45 N ATOM 531 CZ ARG A 36 9.251 8.445 -14.093 1.00 12.33 C ATOM 532 NH1 ARG A 36 8.514 7.594 -13.394 1.00 44.14 N ATOM 533 NH2 ARG A 36 10.462 8.774 -13.666 1.00 1.33 N ATOM 0 H ARG A 36 3.825 8.983 -17.187 1.00 24.15 H new ATOM 0 HA ARG A 36 3.862 9.463 -14.401 1.00 55.40 H new ATOM 0 HB2 ARG A 36 5.560 9.925 -16.768 1.00 63.01 H new ATOM 0 HB3 ARG A 36 5.728 11.173 -15.549 1.00 63.01 H new ATOM 0 HG2 ARG A 36 6.770 9.786 -14.070 1.00 63.30 H new ATOM 0 HG3 ARG A 36 5.759 8.413 -14.472 1.00 63.30 H new ATOM 0 HD2 ARG A 36 7.341 7.576 -15.837 1.00 10.23 H new ATOM 0 HD3 ARG A 36 7.378 9.057 -16.773 1.00 10.23 H new ATOM 0 HE ARG A 36 9.371 9.617 -15.737 1.00 42.45 H new ATOM 0 HH11 ARG A 36 7.583 7.338 -13.721 1.00 44.14 H new ATOM 0 HH12 ARG A 36 8.878 7.195 -12.529 1.00 44.14 H new ATOM 0 HH21 ARG A 36 11.032 9.427 -14.203 1.00 1.33 H new ATOM 0 HH22 ARG A 36 10.824 8.374 -12.800 1.00 1.33 H new ATOM 547 N TRP A 37 3.268 12.115 -16.302 1.00 64.32 N ATOM 548 CA TRP A 37 2.685 13.451 -16.294 1.00 73.43 C ATOM 549 C TRP A 37 1.232 13.408 -15.831 1.00 21.32 C ATOM 550 O TRP A 37 0.760 14.320 -15.152 1.00 23.55 O ATOM 551 CB TRP A 37 2.770 14.075 -17.687 1.00 33.13 C ATOM 552 CG TRP A 37 1.944 15.318 -17.833 1.00 13.15 C ATOM 553 CD1 TRP A 37 2.380 16.607 -17.731 1.00 61.44 C ATOM 554 CD2 TRP A 37 0.540 15.387 -18.109 1.00 42.21 C ATOM 555 NE1 TRP A 37 1.331 17.474 -17.924 1.00 33.54 N ATOM 556 CE2 TRP A 37 0.193 16.751 -18.159 1.00 52.32 C ATOM 557 CE3 TRP A 37 -0.455 14.429 -18.318 1.00 34.23 C ATOM 558 CZ2 TRP A 37 -1.109 17.177 -18.409 1.00 63.44 C ATOM 559 CZ3 TRP A 37 -1.746 14.855 -18.566 1.00 11.52 C ATOM 560 CH2 TRP A 37 -2.064 16.219 -18.611 1.00 73.22 C ATOM 0 H TRP A 37 3.632 11.819 -17.208 1.00 64.32 H new ATOM 0 HA TRP A 37 3.252 14.064 -15.594 1.00 73.43 H new ATOM 0 HB2 TRP A 37 3.811 14.311 -17.909 1.00 33.13 H new ATOM 0 HB3 TRP A 37 2.445 13.343 -18.426 1.00 33.13 H new ATOM 0 HD1 TRP A 37 3.399 16.902 -17.529 1.00 61.44 H new ATOM 0 HE1 TRP A 37 1.391 18.492 -17.897 1.00 33.54 H new ATOM 0 HE3 TRP A 37 -0.220 13.375 -18.286 1.00 34.23 H new ATOM 0 HZ2 TRP A 37 -1.356 18.228 -18.442 1.00 63.44 H new ATOM 0 HZ3 TRP A 37 -2.524 14.124 -18.728 1.00 11.52 H new ATOM 0 HH2 TRP A 37 -3.082 16.519 -18.809 1.00 73.22 H new ATOM 571 N ALA A 38 0.528 12.343 -16.201 1.00 23.12 N ATOM 572 CA ALA A 38 -0.869 12.181 -15.822 1.00 70.23 C ATOM 573 C ALA A 38 -1.002 11.874 -14.334 1.00 4.24 C ATOM 574 O ALA A 38 -1.592 12.648 -13.581 1.00 4.11 O ATOM 575 CB ALA A 38 -1.517 11.081 -16.650 1.00 61.35 C ATOM 0 H ALA A 38 0.903 11.579 -16.763 1.00 23.12 H new ATOM 0 HA ALA A 38 -1.385 13.121 -16.020 1.00 70.23 H new ATOM 0 HB1 ALA A 38 -2.561 10.971 -16.356 1.00 61.35 H new ATOM 0 HB2 ALA A 38 -1.463 11.342 -17.707 1.00 61.35 H new ATOM 0 HB3 ALA A 38 -0.992 10.141 -16.481 1.00 61.35 H new ATOM 581 N ILE A 39 -0.450 10.739 -13.918 1.00 21.00 N ATOM 582 CA ILE A 39 -0.507 10.329 -12.520 1.00 33.22 C ATOM 583 C ILE A 39 0.024 11.427 -11.604 1.00 51.10 C ATOM 584 O ILE A 39 -0.563 11.718 -10.562 1.00 62.42 O ATOM 585 CB ILE A 39 0.299 9.040 -12.278 1.00 70.11 C ATOM 586 CG1 ILE A 39 -0.266 7.893 -13.118 1.00 72.22 C ATOM 587 CG2 ILE A 39 0.286 8.677 -10.801 1.00 45.34 C ATOM 588 CD1 ILE A 39 0.687 6.730 -13.273 1.00 62.31 C ATOM 0 H ILE A 39 0.042 10.087 -14.529 1.00 21.00 H new ATOM 0 HA ILE A 39 -1.555 10.141 -12.289 1.00 33.22 H new ATOM 0 HB ILE A 39 1.332 9.213 -12.581 1.00 70.11 H new ATOM 0 HG12 ILE A 39 -1.188 7.537 -12.659 1.00 72.22 H new ATOM 0 HG13 ILE A 39 -0.527 8.272 -14.106 1.00 72.22 H new ATOM 0 HG21 ILE A 39 0.860 7.763 -10.646 1.00 45.34 H new ATOM 0 HG22 ILE A 39 0.730 9.487 -10.223 1.00 45.34 H new ATOM 0 HG23 ILE A 39 -0.742 8.520 -10.474 1.00 45.34 H new ATOM 0 HD11 ILE A 39 0.219 5.955 -13.880 1.00 62.31 H new ATOM 0 HD12 ILE A 39 1.601 7.071 -13.760 1.00 62.31 H new ATOM 0 HD13 ILE A 39 0.929 6.325 -12.291 1.00 62.31 H new ATOM 600 N ARG A 40 1.138 12.034 -12.001 1.00 73.45 N ATOM 601 CA ARG A 40 1.748 13.101 -11.216 1.00 2.11 C ATOM 602 C ARG A 40 0.820 14.309 -11.127 1.00 41.32 C ATOM 603 O ARG A 40 0.482 14.764 -10.035 1.00 75.14 O ATOM 604 CB ARG A 40 3.086 13.516 -11.833 1.00 52.24 C ATOM 605 CG ARG A 40 4.186 12.483 -11.653 1.00 41.20 C ATOM 606 CD ARG A 40 5.343 13.039 -10.838 1.00 72.30 C ATOM 607 NE ARG A 40 6.455 13.462 -11.685 1.00 50.21 N ATOM 608 CZ ARG A 40 7.294 12.616 -12.274 1.00 73.14 C ATOM 609 NH1 ARG A 40 7.147 11.309 -12.109 1.00 54.51 N ATOM 610 NH2 ARG A 40 8.281 13.078 -13.030 1.00 20.12 N ATOM 0 H ARG A 40 1.636 11.805 -12.861 1.00 73.45 H new ATOM 0 HA ARG A 40 1.922 12.723 -10.208 1.00 2.11 H new ATOM 0 HB2 ARG A 40 2.944 13.701 -12.898 1.00 52.24 H new ATOM 0 HB3 ARG A 40 3.406 14.457 -11.386 1.00 52.24 H new ATOM 0 HG2 ARG A 40 3.781 11.601 -11.157 1.00 41.20 H new ATOM 0 HG3 ARG A 40 4.548 12.162 -12.629 1.00 41.20 H new ATOM 0 HD2 ARG A 40 4.996 13.886 -10.246 1.00 72.30 H new ATOM 0 HD3 ARG A 40 5.690 12.280 -10.136 1.00 72.30 H new ATOM 0 HE ARG A 40 6.595 14.461 -11.833 1.00 50.21 H new ATOM 0 HH11 ARG A 40 6.389 10.950 -11.529 1.00 54.51 H new ATOM 0 HH12 ARG A 40 7.792 10.662 -12.562 1.00 54.51 H new ATOM 0 HH21 ARG A 40 8.397 14.083 -13.160 1.00 20.12 H new ATOM 0 HH22 ARG A 40 8.925 12.428 -13.482 1.00 20.12 H new ATOM 624 N MET A 41 0.414 14.824 -12.283 1.00 12.20 N ATOM 625 CA MET A 41 -0.475 15.978 -12.334 1.00 33.43 C ATOM 626 C MET A 41 -1.710 15.753 -11.468 1.00 12.04 C ATOM 627 O MET A 41 -2.183 16.667 -10.794 1.00 14.15 O ATOM 628 CB MET A 41 -0.894 16.262 -13.778 1.00 30.54 C ATOM 629 CG MET A 41 -1.734 17.519 -13.931 1.00 33.43 C ATOM 630 SD MET A 41 -3.499 17.167 -14.042 1.00 51.30 S ATOM 631 CE MET A 41 -4.180 18.822 -13.986 1.00 64.23 C ATOM 0 H MET A 41 0.686 14.460 -13.196 1.00 12.20 H new ATOM 0 HA MET A 41 0.067 16.840 -11.944 1.00 33.43 H new ATOM 0 HB2 MET A 41 -0.000 16.355 -14.395 1.00 30.54 H new ATOM 0 HB3 MET A 41 -1.457 15.410 -14.158 1.00 30.54 H new ATOM 0 HG2 MET A 41 -1.552 18.178 -13.082 1.00 33.43 H new ATOM 0 HG3 MET A 41 -1.418 18.056 -14.825 1.00 33.43 H new ATOM 0 HE1 MET A 41 -5.255 18.768 -13.813 1.00 64.23 H new ATOM 0 HE2 MET A 41 -3.710 19.382 -13.177 1.00 64.23 H new ATOM 0 HE3 MET A 41 -3.990 19.326 -14.934 1.00 64.23 H new ATOM 641 N ALA A 42 -2.228 14.529 -11.493 1.00 52.02 N ATOM 642 CA ALA A 42 -3.408 14.183 -10.709 1.00 31.30 C ATOM 643 C ALA A 42 -3.136 14.329 -9.216 1.00 50.53 C ATOM 644 O ALA A 42 -3.956 14.873 -8.476 1.00 4.33 O ATOM 645 CB ALA A 42 -3.858 12.766 -11.030 1.00 63.14 C ATOM 0 H ALA A 42 -1.849 13.761 -12.047 1.00 52.02 H new ATOM 0 HA ALA A 42 -4.207 14.875 -10.975 1.00 31.30 H new ATOM 0 HB1 ALA A 42 -4.740 12.521 -10.438 1.00 63.14 H new ATOM 0 HB2 ALA A 42 -4.101 12.693 -12.090 1.00 63.14 H new ATOM 0 HB3 ALA A 42 -3.056 12.067 -10.793 1.00 63.14 H new ATOM 651 N ASN A 43 -1.980 13.839 -8.778 1.00 75.34 N ATOM 652 CA ASN A 43 -1.602 13.914 -7.372 1.00 30.12 C ATOM 653 C ASN A 43 -1.525 15.364 -6.906 1.00 62.13 C ATOM 654 O ASN A 43 -2.128 15.737 -5.899 1.00 25.14 O ATOM 655 CB ASN A 43 -0.256 13.222 -7.147 1.00 74.30 C ATOM 656 CG ASN A 43 -0.197 11.850 -7.790 1.00 61.22 C ATOM 657 OD1 ASN A 43 -1.193 11.128 -7.832 1.00 30.11 O ATOM 658 ND2 ASN A 43 0.975 11.484 -8.296 1.00 43.11 N ATOM 0 H ASN A 43 -1.290 13.386 -9.377 1.00 75.34 H new ATOM 0 HA ASN A 43 -2.368 13.404 -6.788 1.00 30.12 H new ATOM 0 HB2 ASN A 43 0.542 13.845 -7.552 1.00 74.30 H new ATOM 0 HB3 ASN A 43 -0.074 13.127 -6.077 1.00 74.30 H new ATOM 0 HD21 ASN A 43 1.076 10.572 -8.742 1.00 43.11 H new ATOM 0 HD22 ASN A 43 1.775 12.115 -8.239 1.00 43.11 H new ATOM 665 N VAL A 44 -0.779 16.180 -7.645 1.00 13.40 N ATOM 666 CA VAL A 44 -0.624 17.589 -7.309 1.00 75.04 C ATOM 667 C VAL A 44 -1.976 18.291 -7.245 1.00 41.32 C ATOM 668 O VAL A 44 -2.258 19.032 -6.303 1.00 34.42 O ATOM 669 CB VAL A 44 0.270 18.315 -8.332 1.00 34.10 C ATOM 670 CG1 VAL A 44 0.456 19.773 -7.940 1.00 73.24 C ATOM 671 CG2 VAL A 44 1.613 17.613 -8.457 1.00 24.24 C ATOM 0 H VAL A 44 -0.273 15.888 -8.481 1.00 13.40 H new ATOM 0 HA VAL A 44 -0.149 17.630 -6.329 1.00 75.04 H new ATOM 0 HB VAL A 44 -0.222 18.286 -9.304 1.00 34.10 H new ATOM 0 HG11 VAL A 44 1.090 20.269 -8.675 1.00 73.24 H new ATOM 0 HG12 VAL A 44 -0.515 20.267 -7.906 1.00 73.24 H new ATOM 0 HG13 VAL A 44 0.926 19.829 -6.958 1.00 73.24 H new ATOM 0 HG21 VAL A 44 2.232 18.139 -9.184 1.00 24.24 H new ATOM 0 HG22 VAL A 44 2.113 17.610 -7.489 1.00 24.24 H new ATOM 0 HG23 VAL A 44 1.457 16.586 -8.788 1.00 24.24 H new ATOM 681 N SER A 45 -2.810 18.051 -8.253 1.00 71.42 N ATOM 682 CA SER A 45 -4.133 18.663 -8.313 1.00 23.23 C ATOM 683 C SER A 45 -4.959 18.291 -7.086 1.00 54.22 C ATOM 684 O SER A 45 -5.864 19.024 -6.686 1.00 53.42 O ATOM 685 CB SER A 45 -4.862 18.227 -9.585 1.00 43.52 C ATOM 686 OG SER A 45 -4.207 18.717 -10.742 1.00 31.51 O ATOM 0 H SER A 45 -2.593 17.438 -9.039 1.00 71.42 H new ATOM 0 HA SER A 45 -4.006 19.745 -8.329 1.00 23.23 H new ATOM 0 HB2 SER A 45 -4.911 17.139 -9.625 1.00 43.52 H new ATOM 0 HB3 SER A 45 -5.889 18.592 -9.563 1.00 43.52 H new ATOM 0 HG SER A 45 -3.443 18.141 -10.954 1.00 31.51 H new ATOM 692 N THR A 46 -4.642 17.145 -6.491 1.00 24.44 N ATOM 693 CA THR A 46 -5.354 16.674 -5.310 1.00 50.51 C ATOM 694 C THR A 46 -4.585 17.002 -4.036 1.00 13.42 C ATOM 695 O THR A 46 -4.631 16.253 -3.061 1.00 71.41 O ATOM 696 CB THR A 46 -5.598 15.154 -5.371 1.00 5.25 C ATOM 697 OG1 THR A 46 -4.401 14.481 -5.777 1.00 45.11 O ATOM 698 CG2 THR A 46 -6.723 14.825 -6.341 1.00 43.23 C ATOM 0 H THR A 46 -3.896 16.526 -6.808 1.00 24.44 H new ATOM 0 HA THR A 46 -6.314 17.189 -5.294 1.00 50.51 H new ATOM 0 HB THR A 46 -5.886 14.815 -4.376 1.00 5.25 H new ATOM 0 HG1 THR A 46 -3.621 15.012 -5.511 1.00 45.11 H new ATOM 0 HG21 THR A 46 -6.877 13.746 -6.367 1.00 43.23 H new ATOM 0 HG22 THR A 46 -7.640 15.315 -6.014 1.00 43.23 H new ATOM 0 HG23 THR A 46 -6.459 15.178 -7.338 1.00 43.23 H new ATOM 706 N GLY A 47 -3.878 18.129 -4.050 1.00 15.33 N ATOM 707 CA GLY A 47 -3.110 18.536 -2.889 1.00 71.32 C ATOM 708 C GLY A 47 -2.181 17.445 -2.395 1.00 12.12 C ATOM 709 O GLY A 47 -1.851 17.390 -1.211 1.00 61.35 O ATOM 0 H GLY A 47 -3.824 18.766 -4.845 1.00 15.33 H new ATOM 0 HA2 GLY A 47 -2.525 19.422 -3.137 1.00 71.32 H new ATOM 0 HA3 GLY A 47 -3.792 18.818 -2.087 1.00 71.32 H new ATOM 713 N ARG A 48 -1.759 16.574 -3.305 1.00 4.14 N ATOM 714 CA ARG A 48 -0.864 15.477 -2.955 1.00 13.54 C ATOM 715 C ARG A 48 0.504 15.663 -3.604 1.00 63.21 C ATOM 716 O ARG A 48 0.638 16.376 -4.597 1.00 24.44 O ATOM 717 CB ARG A 48 -1.468 14.140 -3.391 1.00 61.32 C ATOM 718 CG ARG A 48 -1.810 13.219 -2.230 1.00 64.43 C ATOM 719 CD ARG A 48 -3.260 13.379 -1.801 1.00 25.12 C ATOM 720 NE ARG A 48 -3.487 12.884 -0.445 1.00 31.32 N ATOM 721 CZ ARG A 48 -3.603 11.597 -0.143 1.00 41.44 C ATOM 722 NH1 ARG A 48 -3.514 10.679 -1.095 1.00 2.51 N ATOM 723 NH2 ARG A 48 -3.809 11.224 1.113 1.00 42.14 N ATOM 0 H ARG A 48 -2.022 16.606 -4.290 1.00 4.14 H new ATOM 0 HA ARG A 48 -0.737 15.476 -1.872 1.00 13.54 H new ATOM 0 HB2 ARG A 48 -2.371 14.331 -3.971 1.00 61.32 H new ATOM 0 HB3 ARG A 48 -0.766 13.632 -4.052 1.00 61.32 H new ATOM 0 HG2 ARG A 48 -1.627 12.184 -2.519 1.00 64.43 H new ATOM 0 HG3 ARG A 48 -1.154 13.435 -1.387 1.00 64.43 H new ATOM 0 HD2 ARG A 48 -3.540 14.431 -1.855 1.00 25.12 H new ATOM 0 HD3 ARG A 48 -3.905 12.842 -2.496 1.00 25.12 H new ATOM 0 HE ARG A 48 -3.560 13.565 0.311 1.00 31.32 H new ATOM 0 HH11 ARG A 48 -3.356 10.961 -2.062 1.00 2.51 H new ATOM 0 HH12 ARG A 48 -3.603 9.690 -0.860 1.00 2.51 H new ATOM 0 HH21 ARG A 48 -3.879 11.927 1.849 1.00 42.14 H new ATOM 0 HH22 ARG A 48 -3.898 10.234 1.343 1.00 42.14 H new ATOM 737 N GLU A 49 1.517 15.019 -3.032 1.00 15.31 N ATOM 738 CA GLU A 49 2.875 15.116 -3.553 1.00 22.04 C ATOM 739 C GLU A 49 2.909 14.800 -5.046 1.00 41.12 C ATOM 740 O GLU A 49 1.998 14.181 -5.596 1.00 12.32 O ATOM 741 CB GLU A 49 3.805 14.162 -2.799 1.00 72.21 C ATOM 742 CG GLU A 49 4.689 14.857 -1.776 1.00 54.31 C ATOM 743 CD GLU A 49 4.392 14.419 -0.355 1.00 4.22 C ATOM 744 OE1 GLU A 49 4.907 13.358 0.057 1.00 73.12 O ATOM 745 OE2 GLU A 49 3.645 15.135 0.344 1.00 25.12 O ATOM 0 H GLU A 49 1.422 14.425 -2.208 1.00 15.31 H new ATOM 0 HA GLU A 49 3.220 16.140 -3.407 1.00 22.04 H new ATOM 0 HB2 GLU A 49 3.204 13.406 -2.294 1.00 72.21 H new ATOM 0 HB3 GLU A 49 4.437 13.640 -3.518 1.00 72.21 H new ATOM 0 HG2 GLU A 49 5.735 14.651 -2.005 1.00 54.31 H new ATOM 0 HG3 GLU A 49 4.552 15.935 -1.856 1.00 54.31 H new ATOM 752 N PRO A 50 3.984 15.238 -5.719 1.00 12.11 N ATOM 753 CA PRO A 50 4.162 15.014 -7.157 1.00 65.51 C ATOM 754 C PRO A 50 4.430 13.549 -7.487 1.00 64.43 C ATOM 755 O PRO A 50 3.805 12.980 -8.381 1.00 74.42 O ATOM 756 CB PRO A 50 5.384 15.871 -7.499 1.00 55.14 C ATOM 757 CG PRO A 50 6.140 15.982 -6.220 1.00 13.20 C ATOM 758 CD PRO A 50 5.107 15.983 -5.127 1.00 14.23 C ATOM 0 HA PRO A 50 3.268 15.274 -7.724 1.00 65.51 H new ATOM 0 HB2 PRO A 50 5.989 15.405 -8.277 1.00 55.14 H new ATOM 0 HB3 PRO A 50 5.088 16.852 -7.870 1.00 55.14 H new ATOM 0 HG2 PRO A 50 6.832 15.148 -6.102 1.00 13.20 H new ATOM 0 HG3 PRO A 50 6.734 16.895 -6.196 1.00 13.20 H new ATOM 0 HD2 PRO A 50 5.478 15.500 -4.223 1.00 14.23 H new ATOM 0 HD3 PRO A 50 4.816 16.996 -4.850 1.00 14.23 H new ATOM 766 N GLY A 51 5.363 12.944 -6.758 1.00 3.02 N ATOM 767 CA GLY A 51 5.696 11.551 -6.989 1.00 11.22 C ATOM 768 C GLY A 51 4.816 10.605 -6.197 1.00 54.55 C ATOM 769 O GLY A 51 5.300 9.861 -5.344 1.00 52.22 O ATOM 0 H GLY A 51 5.894 13.394 -6.012 1.00 3.02 H new ATOM 0 HA2 GLY A 51 5.599 11.329 -8.052 1.00 11.22 H new ATOM 0 HA3 GLY A 51 6.739 11.381 -6.722 1.00 11.22 H new ATOM 773 N ASP A 52 3.517 10.634 -6.477 1.00 10.02 N ATOM 774 CA ASP A 52 2.565 9.774 -5.784 1.00 3.25 C ATOM 775 C ASP A 52 2.187 8.574 -6.648 1.00 2.12 C ATOM 776 O ASP A 52 1.535 8.722 -7.681 1.00 33.55 O ATOM 777 CB ASP A 52 1.311 10.563 -5.409 1.00 53.34 C ATOM 778 CG ASP A 52 0.975 10.450 -3.934 1.00 14.40 C ATOM 779 OD1 ASP A 52 -0.182 10.101 -3.614 1.00 43.11 O ATOM 780 OD2 ASP A 52 1.868 10.709 -3.101 1.00 13.32 O ATOM 0 H ASP A 52 3.099 11.244 -7.180 1.00 10.02 H new ATOM 0 HA ASP A 52 3.040 9.408 -4.874 1.00 3.25 H new ATOM 0 HB2 ASP A 52 1.455 11.612 -5.666 1.00 53.34 H new ATOM 0 HB3 ASP A 52 0.468 10.203 -5.999 1.00 53.34 H new ATOM 785 N ILE A 53 2.603 7.388 -6.218 1.00 2.23 N ATOM 786 CA ILE A 53 2.309 6.164 -6.953 1.00 55.44 C ATOM 787 C ILE A 53 1.367 5.261 -6.162 1.00 12.43 C ATOM 788 O ILE A 53 1.772 4.245 -5.595 1.00 34.30 O ATOM 789 CB ILE A 53 3.593 5.382 -7.284 1.00 44.12 C ATOM 790 CG1 ILE A 53 4.565 6.265 -8.069 1.00 33.12 C ATOM 791 CG2 ILE A 53 3.260 4.122 -8.069 1.00 14.12 C ATOM 792 CD1 ILE A 53 4.050 6.663 -9.435 1.00 33.21 C ATOM 0 H ILE A 53 3.144 7.248 -5.365 1.00 2.23 H new ATOM 0 HA ILE A 53 1.827 6.464 -7.884 1.00 55.44 H new ATOM 0 HB ILE A 53 4.072 5.087 -6.350 1.00 44.12 H new ATOM 0 HG12 ILE A 53 4.773 7.166 -7.491 1.00 33.12 H new ATOM 0 HG13 ILE A 53 5.511 5.736 -8.186 1.00 33.12 H new ATOM 0 HG21 ILE A 53 4.179 3.581 -8.295 1.00 14.12 H new ATOM 0 HG22 ILE A 53 2.601 3.487 -7.476 1.00 14.12 H new ATOM 0 HG23 ILE A 53 2.761 4.394 -8.999 1.00 14.12 H new ATOM 0 HD11 ILE A 53 4.790 7.288 -9.935 1.00 33.21 H new ATOM 0 HD12 ILE A 53 3.869 5.768 -10.030 1.00 33.21 H new ATOM 0 HD13 ILE A 53 3.120 7.220 -9.325 1.00 33.21 H new ATOM 804 N PRO A 54 0.080 5.636 -6.124 1.00 71.53 N ATOM 805 CA PRO A 54 -0.946 4.874 -5.408 1.00 42.24 C ATOM 806 C PRO A 54 -1.254 3.541 -6.082 1.00 44.13 C ATOM 807 O PRO A 54 -1.440 3.479 -7.296 1.00 30.05 O ATOM 808 CB PRO A 54 -2.169 5.793 -5.456 1.00 40.14 C ATOM 809 CG PRO A 54 -1.959 6.641 -6.662 1.00 43.33 C ATOM 810 CD PRO A 54 -0.472 6.836 -6.776 1.00 34.02 C ATOM 0 HA PRO A 54 -0.630 4.615 -4.397 1.00 42.24 H new ATOM 0 HB2 PRO A 54 -3.093 5.219 -5.532 1.00 40.14 H new ATOM 0 HB3 PRO A 54 -2.244 6.400 -4.554 1.00 40.14 H new ATOM 0 HG2 PRO A 54 -2.359 6.158 -7.553 1.00 43.33 H new ATOM 0 HG3 PRO A 54 -2.472 7.598 -6.561 1.00 43.33 H new ATOM 0 HD2 PRO A 54 -0.155 6.910 -7.816 1.00 34.02 H new ATOM 0 HD3 PRO A 54 -0.147 7.749 -6.278 1.00 34.02 H new ATOM 818 N GLU A 55 -1.307 2.478 -5.285 1.00 60.43 N ATOM 819 CA GLU A 55 -1.593 1.147 -5.807 1.00 25.42 C ATOM 820 C GLU A 55 -2.786 0.525 -5.088 1.00 0.21 C ATOM 821 O GLU A 55 -2.762 -0.652 -4.723 1.00 21.34 O ATOM 822 CB GLU A 55 -0.366 0.243 -5.660 1.00 72.52 C ATOM 823 CG GLU A 55 -0.339 -0.912 -6.645 1.00 34.32 C ATOM 824 CD GLU A 55 0.415 -0.576 -7.918 1.00 53.25 C ATOM 825 OE1 GLU A 55 1.580 -0.137 -7.818 1.00 52.33 O ATOM 826 OE2 GLU A 55 -0.160 -0.752 -9.012 1.00 13.43 O ATOM 0 H GLU A 55 -1.156 2.513 -4.277 1.00 60.43 H new ATOM 0 HA GLU A 55 -1.839 1.244 -6.864 1.00 25.42 H new ATOM 0 HB2 GLU A 55 0.534 0.843 -5.792 1.00 72.52 H new ATOM 0 HB3 GLU A 55 -0.338 -0.155 -4.646 1.00 72.52 H new ATOM 0 HG2 GLU A 55 0.123 -1.778 -6.171 1.00 34.32 H new ATOM 0 HG3 GLU A 55 -1.361 -1.194 -6.896 1.00 34.32 H new ATOM 833 N THR A 56 -3.829 1.323 -4.885 1.00 53.41 N ATOM 834 CA THR A 56 -5.031 0.852 -4.208 1.00 72.21 C ATOM 835 C THR A 56 -6.280 1.505 -4.789 1.00 34.30 C ATOM 836 O THR A 56 -6.319 2.719 -5.000 1.00 40.43 O ATOM 837 CB THR A 56 -4.972 1.138 -2.696 1.00 70.45 C ATOM 838 OG1 THR A 56 -5.163 2.537 -2.454 1.00 54.13 O ATOM 839 CG2 THR A 56 -3.639 0.695 -2.113 1.00 63.15 C ATOM 0 H THR A 56 -3.866 2.299 -5.180 1.00 53.41 H new ATOM 0 HA THR A 56 -5.081 -0.226 -4.365 1.00 72.21 H new ATOM 0 HB THR A 56 -5.768 0.574 -2.211 1.00 70.45 H new ATOM 0 HG1 THR A 56 -4.853 2.758 -1.551 1.00 54.13 H new ATOM 0 HG21 THR A 56 -3.621 0.907 -1.044 1.00 63.15 H new ATOM 0 HG22 THR A 56 -3.510 -0.375 -2.273 1.00 63.15 H new ATOM 0 HG23 THR A 56 -2.830 1.235 -2.604 1.00 63.15 H new ATOM 847 N LEU A 57 -7.301 0.694 -5.046 1.00 22.21 N ATOM 848 CA LEU A 57 -8.554 1.193 -5.602 1.00 21.50 C ATOM 849 C LEU A 57 -9.088 2.361 -4.779 1.00 34.31 C ATOM 850 O LEU A 57 -9.756 3.250 -5.307 1.00 73.41 O ATOM 851 CB LEU A 57 -9.594 0.074 -5.654 1.00 43.43 C ATOM 852 CG LEU A 57 -10.502 0.057 -6.883 1.00 72.23 C ATOM 853 CD1 LEU A 57 -10.833 -1.372 -7.284 1.00 4.34 C ATOM 854 CD2 LEU A 57 -11.777 0.845 -6.616 1.00 60.50 C ATOM 0 H LEU A 57 -7.285 -0.312 -4.878 1.00 22.21 H new ATOM 0 HA LEU A 57 -8.358 1.545 -6.615 1.00 21.50 H new ATOM 0 HB2 LEU A 57 -9.073 -0.882 -5.599 1.00 43.43 H new ATOM 0 HB3 LEU A 57 -10.221 0.147 -4.765 1.00 43.43 H new ATOM 0 HG LEU A 57 -9.971 0.531 -7.708 1.00 72.23 H new ATOM 0 HD11 LEU A 57 -11.480 -1.363 -8.161 1.00 4.34 H new ATOM 0 HD12 LEU A 57 -9.912 -1.907 -7.518 1.00 4.34 H new ATOM 0 HD13 LEU A 57 -11.344 -1.872 -6.461 1.00 4.34 H new ATOM 0 HD21 LEU A 57 -12.411 0.822 -7.502 1.00 60.50 H new ATOM 0 HD22 LEU A 57 -12.311 0.400 -5.776 1.00 60.50 H new ATOM 0 HD23 LEU A 57 -11.523 1.878 -6.378 1.00 60.50 H new ATOM 866 N ASP A 58 -8.787 2.353 -3.486 1.00 65.42 N ATOM 867 CA ASP A 58 -9.233 3.414 -2.591 1.00 42.13 C ATOM 868 C ASP A 58 -8.511 4.723 -2.895 1.00 44.32 C ATOM 869 O ASP A 58 -9.101 5.800 -2.821 1.00 71.15 O ATOM 870 CB ASP A 58 -8.996 3.014 -1.133 1.00 71.41 C ATOM 871 CG ASP A 58 -9.926 1.906 -0.679 1.00 0.41 C ATOM 872 OD1 ASP A 58 -9.518 0.726 -0.743 1.00 74.34 O ATOM 873 OD2 ASP A 58 -11.059 2.217 -0.259 1.00 34.01 O ATOM 0 H ASP A 58 -8.236 1.624 -3.034 1.00 65.42 H new ATOM 0 HA ASP A 58 -10.301 3.564 -2.751 1.00 42.13 H new ATOM 0 HB2 ASP A 58 -7.962 2.690 -1.012 1.00 71.41 H new ATOM 0 HB3 ASP A 58 -9.134 3.885 -0.493 1.00 71.41 H new ATOM 878 N GLN A 59 -7.230 4.621 -3.236 1.00 54.43 N ATOM 879 CA GLN A 59 -6.427 5.797 -3.550 1.00 55.25 C ATOM 880 C GLN A 59 -6.747 6.316 -4.947 1.00 24.52 C ATOM 881 O GLN A 59 -6.997 7.508 -5.136 1.00 54.30 O ATOM 882 CB GLN A 59 -4.938 5.466 -3.444 1.00 60.52 C ATOM 883 CG GLN A 59 -4.362 5.694 -2.056 1.00 62.23 C ATOM 884 CD GLN A 59 -3.436 4.576 -1.617 1.00 74.10 C ATOM 885 OE1 GLN A 59 -3.747 3.823 -0.693 1.00 53.12 O ATOM 886 NE2 GLN A 59 -2.291 4.461 -2.279 1.00 12.24 N ATOM 0 H GLN A 59 -6.726 3.736 -3.302 1.00 54.43 H new ATOM 0 HA GLN A 59 -6.671 6.577 -2.828 1.00 55.25 H new ATOM 0 HB2 GLN A 59 -4.785 4.424 -3.725 1.00 60.52 H new ATOM 0 HB3 GLN A 59 -4.387 6.074 -4.161 1.00 60.52 H new ATOM 0 HG2 GLN A 59 -3.817 6.638 -2.044 1.00 62.23 H new ATOM 0 HG3 GLN A 59 -5.178 5.787 -1.339 1.00 62.23 H new ATOM 0 HE21 GLN A 59 -2.074 5.107 -3.038 1.00 12.24 H new ATOM 0 HE22 GLN A 59 -1.629 3.727 -2.029 1.00 12.24 H new ATOM 895 N LEU A 60 -6.736 5.417 -5.925 1.00 30.51 N ATOM 896 CA LEU A 60 -7.024 5.785 -7.306 1.00 11.14 C ATOM 897 C LEU A 60 -8.409 6.412 -7.426 1.00 52.44 C ATOM 898 O LEU A 60 -8.595 7.403 -8.132 1.00 2.21 O ATOM 899 CB LEU A 60 -6.928 4.556 -8.213 1.00 70.31 C ATOM 900 CG LEU A 60 -5.527 4.195 -8.708 1.00 10.01 C ATOM 901 CD1 LEU A 60 -4.988 5.283 -9.624 1.00 1.23 C ATOM 902 CD2 LEU A 60 -4.587 3.971 -7.532 1.00 13.23 C ATOM 0 H LEU A 60 -6.531 4.428 -5.787 1.00 30.51 H new ATOM 0 HA LEU A 60 -6.284 6.521 -7.621 1.00 11.14 H new ATOM 0 HB2 LEU A 60 -7.333 3.699 -7.675 1.00 70.31 H new ATOM 0 HB3 LEU A 60 -7.567 4.719 -9.081 1.00 70.31 H new ATOM 0 HG LEU A 60 -5.591 3.268 -9.278 1.00 10.01 H new ATOM 0 HD11 LEU A 60 -3.990 5.009 -9.967 1.00 1.23 H new ATOM 0 HD12 LEU A 60 -5.649 5.395 -10.484 1.00 1.23 H new ATOM 0 HD13 LEU A 60 -4.938 6.226 -9.079 1.00 1.23 H new ATOM 0 HD21 LEU A 60 -3.595 3.715 -7.903 1.00 13.23 H new ATOM 0 HD22 LEU A 60 -4.528 4.881 -6.935 1.00 13.23 H new ATOM 0 HD23 LEU A 60 -4.965 3.156 -6.914 1.00 13.23 H new ATOM 914 N ARG A 61 -9.379 5.829 -6.728 1.00 52.32 N ATOM 915 CA ARG A 61 -10.747 6.331 -6.755 1.00 31.11 C ATOM 916 C ARG A 61 -10.850 7.669 -6.028 1.00 4.20 C ATOM 917 O ARG A 61 -11.440 8.621 -6.538 1.00 30.31 O ATOM 918 CB ARG A 61 -11.698 5.317 -6.116 1.00 2.02 C ATOM 919 CG ARG A 61 -13.119 5.832 -5.954 1.00 43.22 C ATOM 920 CD ARG A 61 -13.406 6.228 -4.514 1.00 24.41 C ATOM 921 NE ARG A 61 -13.661 5.066 -3.666 1.00 34.35 N ATOM 922 CZ ARG A 61 -14.786 4.361 -3.707 1.00 54.33 C ATOM 923 NH1 ARG A 61 -15.754 4.698 -4.549 1.00 44.50 N ATOM 924 NH2 ARG A 61 -14.944 3.316 -2.904 1.00 34.22 N ATOM 0 H ARG A 61 -9.242 5.009 -6.137 1.00 52.32 H new ATOM 0 HA ARG A 61 -11.032 6.480 -7.797 1.00 31.11 H new ATOM 0 HB2 ARG A 61 -11.715 4.414 -6.726 1.00 2.02 H new ATOM 0 HB3 ARG A 61 -11.310 5.034 -5.138 1.00 2.02 H new ATOM 0 HG2 ARG A 61 -13.273 6.691 -6.607 1.00 43.22 H new ATOM 0 HG3 ARG A 61 -13.824 5.063 -6.269 1.00 43.22 H new ATOM 0 HD2 ARG A 61 -12.559 6.788 -4.117 1.00 24.41 H new ATOM 0 HD3 ARG A 61 -14.269 6.893 -4.486 1.00 24.41 H new ATOM 0 HE ARG A 61 -12.936 4.781 -3.007 1.00 34.35 H new ATOM 0 HH11 ARG A 61 -15.636 5.500 -5.167 1.00 44.50 H new ATOM 0 HH12 ARG A 61 -16.617 4.155 -4.578 1.00 44.50 H new ATOM 0 HH21 ARG A 61 -14.202 3.054 -2.255 1.00 34.22 H new ATOM 0 HH22 ARG A 61 -15.808 2.775 -2.935 1.00 34.22 H new ATOM 938 N LEU A 62 -10.274 7.732 -4.832 1.00 3.24 N ATOM 939 CA LEU A 62 -10.300 8.951 -4.034 1.00 60.43 C ATOM 940 C LEU A 62 -9.784 10.141 -4.838 1.00 51.03 C ATOM 941 O LEU A 62 -10.339 11.238 -4.770 1.00 2.54 O ATOM 942 CB LEU A 62 -9.459 8.774 -2.768 1.00 73.03 C ATOM 943 CG LEU A 62 -9.132 10.053 -1.995 1.00 12.04 C ATOM 944 CD1 LEU A 62 -10.395 10.660 -1.407 1.00 53.24 C ATOM 945 CD2 LEU A 62 -8.115 9.768 -0.899 1.00 53.32 C ATOM 0 H LEU A 62 -9.783 6.952 -4.394 1.00 3.24 H new ATOM 0 HA LEU A 62 -11.334 9.148 -3.752 1.00 60.43 H new ATOM 0 HB2 LEU A 62 -9.985 8.093 -2.099 1.00 73.03 H new ATOM 0 HB3 LEU A 62 -8.522 8.290 -3.043 1.00 73.03 H new ATOM 0 HG LEU A 62 -8.698 10.773 -2.689 1.00 12.04 H new ATOM 0 HD11 LEU A 62 -10.142 11.569 -0.861 1.00 53.24 H new ATOM 0 HD12 LEU A 62 -11.091 10.901 -2.211 1.00 53.24 H new ATOM 0 HD13 LEU A 62 -10.860 9.946 -0.727 1.00 53.24 H new ATOM 0 HD21 LEU A 62 -7.894 10.689 -0.359 1.00 53.32 H new ATOM 0 HD22 LEU A 62 -8.523 9.031 -0.207 1.00 53.32 H new ATOM 0 HD23 LEU A 62 -7.199 9.380 -1.345 1.00 53.32 H new ATOM 957 N VAL A 63 -8.719 9.914 -5.601 1.00 61.21 N ATOM 958 CA VAL A 63 -8.130 10.965 -6.422 1.00 63.55 C ATOM 959 C VAL A 63 -9.068 11.371 -7.553 1.00 11.11 C ATOM 960 O VAL A 63 -9.406 12.546 -7.702 1.00 1.15 O ATOM 961 CB VAL A 63 -6.782 10.521 -7.021 1.00 74.43 C ATOM 962 CG1 VAL A 63 -6.178 11.636 -7.861 1.00 2.31 C ATOM 963 CG2 VAL A 63 -5.825 10.092 -5.919 1.00 73.40 C ATOM 0 H VAL A 63 -8.247 9.012 -5.667 1.00 61.21 H new ATOM 0 HA VAL A 63 -7.964 11.821 -5.768 1.00 63.55 H new ATOM 0 HB VAL A 63 -6.957 9.664 -7.671 1.00 74.43 H new ATOM 0 HG11 VAL A 63 -5.226 11.304 -8.276 1.00 2.31 H new ATOM 0 HG12 VAL A 63 -6.859 11.890 -8.673 1.00 2.31 H new ATOM 0 HG13 VAL A 63 -6.015 12.514 -7.237 1.00 2.31 H new ATOM 0 HG21 VAL A 63 -4.878 9.782 -6.360 1.00 73.40 H new ATOM 0 HG22 VAL A 63 -5.653 10.928 -5.241 1.00 73.40 H new ATOM 0 HG23 VAL A 63 -6.258 9.259 -5.365 1.00 73.40 H new ATOM 973 N ILE A 64 -9.486 10.391 -8.348 1.00 64.03 N ATOM 974 CA ILE A 64 -10.387 10.645 -9.465 1.00 71.54 C ATOM 975 C ILE A 64 -11.612 11.433 -9.014 1.00 51.15 C ATOM 976 O ILE A 64 -12.184 12.206 -9.784 1.00 31.55 O ATOM 977 CB ILE A 64 -10.849 9.334 -10.125 1.00 2.32 C ATOM 978 CG1 ILE A 64 -9.644 8.548 -10.648 1.00 24.45 C ATOM 979 CG2 ILE A 64 -11.828 9.624 -11.253 1.00 52.43 C ATOM 980 CD1 ILE A 64 -9.876 7.055 -10.710 1.00 30.13 C ATOM 0 H ILE A 64 -9.215 9.414 -8.239 1.00 64.03 H new ATOM 0 HA ILE A 64 -9.828 11.232 -10.194 1.00 71.54 H new ATOM 0 HB ILE A 64 -11.358 8.728 -9.376 1.00 2.32 H new ATOM 0 HG12 ILE A 64 -9.390 8.909 -11.644 1.00 24.45 H new ATOM 0 HG13 ILE A 64 -8.785 8.748 -10.008 1.00 24.45 H new ATOM 0 HG21 ILE A 64 -12.145 8.686 -11.710 1.00 52.43 H new ATOM 0 HG22 ILE A 64 -12.698 10.146 -10.855 1.00 52.43 H new ATOM 0 HG23 ILE A 64 -11.343 10.248 -12.004 1.00 52.43 H new ATOM 0 HD11 ILE A 64 -8.980 6.563 -11.090 1.00 30.13 H new ATOM 0 HD12 ILE A 64 -10.100 6.680 -9.711 1.00 30.13 H new ATOM 0 HD13 ILE A 64 -10.715 6.844 -11.374 1.00 30.13 H new ATOM 992 N CYS A 65 -12.010 11.233 -7.762 1.00 74.32 N ATOM 993 CA CYS A 65 -13.168 11.926 -7.208 1.00 33.10 C ATOM 994 C CYS A 65 -12.861 13.402 -6.979 1.00 23.42 C ATOM 995 O CYS A 65 -13.493 14.278 -7.570 1.00 43.20 O ATOM 996 CB CYS A 65 -13.598 11.272 -5.894 1.00 13.23 C ATOM 997 SG CYS A 65 -14.950 12.129 -5.051 1.00 43.11 S ATOM 0 H CYS A 65 -11.548 10.597 -7.112 1.00 74.32 H new ATOM 0 HA CYS A 65 -13.984 11.851 -7.927 1.00 33.10 H new ATOM 0 HB2 CYS A 65 -13.902 10.245 -6.094 1.00 13.23 H new ATOM 0 HB3 CYS A 65 -12.738 11.225 -5.225 1.00 13.23 H new ATOM 0 HG CYS A 65 -15.244 11.500 -3.952 1.00 43.11 H new ATOM 1003 N ASP A 66 -11.886 13.671 -6.116 1.00 51.31 N ATOM 1004 CA ASP A 66 -11.494 15.041 -5.808 1.00 75.03 C ATOM 1005 C ASP A 66 -11.097 15.791 -7.075 1.00 20.43 C ATOM 1006 O ASP A 66 -11.533 16.920 -7.305 1.00 71.53 O ATOM 1007 CB ASP A 66 -10.335 15.050 -4.810 1.00 35.10 C ATOM 1008 CG ASP A 66 -10.753 14.575 -3.433 1.00 44.30 C ATOM 1009 OD1 ASP A 66 -10.243 13.526 -2.987 1.00 43.42 O ATOM 1010 OD2 ASP A 66 -11.589 15.253 -2.800 1.00 54.34 O ATOM 0 H ASP A 66 -11.353 12.958 -5.618 1.00 51.31 H new ATOM 0 HA ASP A 66 -12.351 15.546 -5.362 1.00 75.03 H new ATOM 0 HB2 ASP A 66 -9.533 14.413 -5.183 1.00 35.10 H new ATOM 0 HB3 ASP A 66 -9.931 16.060 -4.736 1.00 35.10 H new ATOM 1015 N LEU A 67 -10.267 15.157 -7.896 1.00 23.21 N ATOM 1016 CA LEU A 67 -9.808 15.764 -9.141 1.00 73.53 C ATOM 1017 C LEU A 67 -10.987 16.093 -10.052 1.00 65.55 C ATOM 1018 O LEU A 67 -11.012 17.142 -10.695 1.00 71.42 O ATOM 1019 CB LEU A 67 -8.838 14.827 -9.862 1.00 41.11 C ATOM 1020 CG LEU A 67 -7.598 15.483 -10.469 1.00 23.10 C ATOM 1021 CD1 LEU A 67 -6.761 14.455 -11.214 1.00 33.03 C ATOM 1022 CD2 LEU A 67 -7.997 16.622 -11.397 1.00 44.31 C ATOM 0 H LEU A 67 -9.898 14.222 -7.722 1.00 23.21 H new ATOM 0 HA LEU A 67 -9.291 16.692 -8.895 1.00 73.53 H new ATOM 0 HB2 LEU A 67 -8.512 14.062 -9.157 1.00 41.11 H new ATOM 0 HB3 LEU A 67 -9.381 14.317 -10.658 1.00 41.11 H new ATOM 0 HG LEU A 67 -6.995 15.895 -9.659 1.00 23.10 H new ATOM 0 HD11 LEU A 67 -5.883 14.940 -11.639 1.00 33.03 H new ATOM 0 HD12 LEU A 67 -6.445 13.673 -10.523 1.00 33.03 H new ATOM 0 HD13 LEU A 67 -7.355 14.013 -12.014 1.00 33.03 H new ATOM 0 HD21 LEU A 67 -7.102 17.077 -11.820 1.00 44.31 H new ATOM 0 HD22 LEU A 67 -8.622 16.234 -12.202 1.00 44.31 H new ATOM 0 HD23 LEU A 67 -8.554 17.371 -10.835 1.00 44.31 H new ATOM 1034 N GLN A 68 -11.962 15.191 -10.099 1.00 71.13 N ATOM 1035 CA GLN A 68 -13.144 15.387 -10.929 1.00 31.05 C ATOM 1036 C GLN A 68 -13.864 16.679 -10.556 1.00 62.03 C ATOM 1037 O GLN A 68 -14.205 17.483 -11.422 1.00 3.10 O ATOM 1038 CB GLN A 68 -14.096 14.199 -10.788 1.00 50.02 C ATOM 1039 CG GLN A 68 -13.940 13.159 -11.885 1.00 3.40 C ATOM 1040 CD GLN A 68 -15.065 13.207 -12.900 1.00 64.35 C ATOM 1041 OE1 GLN A 68 -15.839 12.258 -13.032 1.00 4.11 O ATOM 1042 NE2 GLN A 68 -15.163 14.317 -13.624 1.00 43.42 N ATOM 0 H GLN A 68 -11.956 14.318 -9.572 1.00 71.13 H new ATOM 0 HA GLN A 68 -12.819 15.461 -11.967 1.00 31.05 H new ATOM 0 HB2 GLN A 68 -13.929 13.723 -9.822 1.00 50.02 H new ATOM 0 HB3 GLN A 68 -15.123 14.565 -10.790 1.00 50.02 H new ATOM 0 HG2 GLN A 68 -12.989 13.314 -12.395 1.00 3.40 H new ATOM 0 HG3 GLN A 68 -13.903 12.166 -11.436 1.00 3.40 H new ATOM 0 HE21 GLN A 68 -14.500 15.079 -13.482 1.00 43.42 H new ATOM 0 HE22 GLN A 68 -15.901 14.407 -14.322 1.00 43.42 H new ATOM 1051 N GLU A 69 -14.093 16.869 -9.260 1.00 63.42 N ATOM 1052 CA GLU A 69 -14.774 18.063 -8.773 1.00 2.44 C ATOM 1053 C GLU A 69 -14.031 19.325 -9.199 1.00 21.23 C ATOM 1054 O GLU A 69 -14.632 20.268 -9.714 1.00 53.32 O ATOM 1055 CB GLU A 69 -14.897 18.020 -7.248 1.00 22.42 C ATOM 1056 CG GLU A 69 -16.291 17.663 -6.759 1.00 1.12 C ATOM 1057 CD GLU A 69 -17.258 18.827 -6.854 1.00 62.34 C ATOM 1058 OE1 GLU A 69 -17.503 19.305 -7.982 1.00 3.20 O ATOM 1059 OE2 GLU A 69 -17.769 19.261 -5.800 1.00 54.10 O ATOM 0 H GLU A 69 -13.817 16.212 -8.530 1.00 63.42 H new ATOM 0 HA GLU A 69 -15.772 18.085 -9.211 1.00 2.44 H new ATOM 0 HB2 GLU A 69 -14.186 17.293 -6.855 1.00 22.42 H new ATOM 0 HB3 GLU A 69 -14.617 18.992 -6.842 1.00 22.42 H new ATOM 0 HG2 GLU A 69 -16.675 16.828 -7.345 1.00 1.12 H new ATOM 0 HG3 GLU A 69 -16.234 17.326 -5.724 1.00 1.12 H new ATOM 1066 N ARG A 70 -12.720 19.336 -8.980 1.00 72.23 N ATOM 1067 CA ARG A 70 -11.895 20.483 -9.340 1.00 25.41 C ATOM 1068 C ARG A 70 -11.896 20.701 -10.849 1.00 12.23 C ATOM 1069 O ARG A 70 -11.877 21.838 -11.323 1.00 41.14 O ATOM 1070 CB ARG A 70 -10.462 20.282 -8.843 1.00 30.24 C ATOM 1071 CG ARG A 70 -9.931 21.449 -8.026 1.00 51.15 C ATOM 1072 CD ARG A 70 -8.461 21.709 -8.315 1.00 52.43 C ATOM 1073 NE ARG A 70 -7.874 22.645 -7.360 1.00 33.21 N ATOM 1074 CZ ARG A 70 -6.695 23.233 -7.538 1.00 51.40 C ATOM 1075 NH1 ARG A 70 -5.983 22.982 -8.628 1.00 42.55 N ATOM 1076 NH2 ARG A 70 -6.227 24.074 -6.624 1.00 14.40 N ATOM 0 H ARG A 70 -12.207 18.564 -8.555 1.00 72.23 H new ATOM 0 HA ARG A 70 -12.317 21.367 -8.863 1.00 25.41 H new ATOM 0 HB2 ARG A 70 -10.420 19.377 -8.237 1.00 30.24 H new ATOM 0 HB3 ARG A 70 -9.808 20.122 -9.700 1.00 30.24 H new ATOM 0 HG2 ARG A 70 -10.511 22.345 -8.250 1.00 51.15 H new ATOM 0 HG3 ARG A 70 -10.063 21.241 -6.964 1.00 51.15 H new ATOM 0 HD2 ARG A 70 -7.913 20.767 -8.283 1.00 52.43 H new ATOM 0 HD3 ARG A 70 -8.354 22.106 -9.324 1.00 52.43 H new ATOM 0 HE ARG A 70 -8.397 22.859 -6.511 1.00 33.21 H new ATOM 0 HH11 ARG A 70 -6.340 22.336 -9.333 1.00 42.55 H new ATOM 0 HH12 ARG A 70 -5.079 23.435 -8.762 1.00 42.55 H new ATOM 0 HH21 ARG A 70 -6.772 24.270 -5.784 1.00 14.40 H new ATOM 0 HH22 ARG A 70 -5.322 24.525 -6.761 1.00 14.40 H new ATOM 1090 N ARG A 71 -11.917 19.605 -11.601 1.00 21.32 N ATOM 1091 CA ARG A 71 -11.918 19.677 -13.057 1.00 5.52 C ATOM 1092 C ARG A 71 -13.115 20.478 -13.561 1.00 31.44 C ATOM 1093 O ARG A 71 -12.968 21.372 -14.393 1.00 32.41 O ATOM 1094 CB ARG A 71 -11.943 18.269 -13.658 1.00 62.51 C ATOM 1095 CG ARG A 71 -12.172 18.254 -15.160 1.00 0.32 C ATOM 1096 CD ARG A 71 -12.031 16.851 -15.730 1.00 0.33 C ATOM 1097 NE ARG A 71 -13.143 16.503 -16.610 1.00 73.22 N ATOM 1098 CZ ARG A 71 -13.351 17.073 -17.792 1.00 11.22 C ATOM 1099 NH1 ARG A 71 -12.527 18.013 -18.233 1.00 22.15 N ATOM 1100 NH2 ARG A 71 -14.385 16.702 -18.536 1.00 74.54 N ATOM 0 H ARG A 71 -11.934 18.657 -11.226 1.00 21.32 H new ATOM 0 HA ARG A 71 -11.006 20.183 -13.372 1.00 5.52 H new ATOM 0 HB2 ARG A 71 -10.998 17.772 -13.438 1.00 62.51 H new ATOM 0 HB3 ARG A 71 -12.729 17.690 -13.173 1.00 62.51 H new ATOM 0 HG2 ARG A 71 -13.167 18.640 -15.381 1.00 0.32 H new ATOM 0 HG3 ARG A 71 -11.457 18.919 -15.645 1.00 0.32 H new ATOM 0 HD2 ARG A 71 -11.095 16.777 -16.283 1.00 0.33 H new ATOM 0 HD3 ARG A 71 -11.977 16.132 -14.913 1.00 0.33 H new ATOM 0 HE ARG A 71 -13.796 15.783 -16.300 1.00 73.22 H new ATOM 0 HH11 ARG A 71 -11.730 18.301 -17.664 1.00 22.15 H new ATOM 0 HH12 ARG A 71 -12.689 18.449 -19.141 1.00 22.15 H new ATOM 0 HH21 ARG A 71 -15.021 15.979 -18.201 1.00 74.54 H new ATOM 0 HH22 ARG A 71 -14.544 17.140 -19.443 1.00 74.54 H new ATOM 1114 N GLU A 72 -14.298 20.150 -13.051 1.00 23.54 N ATOM 1115 CA GLU A 72 -15.518 20.839 -13.450 1.00 14.22 C ATOM 1116 C GLU A 72 -15.454 22.319 -13.083 1.00 51.20 C ATOM 1117 O GLU A 72 -15.676 23.189 -13.925 1.00 61.15 O ATOM 1118 CB GLU A 72 -16.737 20.191 -12.789 1.00 4.22 C ATOM 1119 CG GLU A 72 -17.083 18.824 -13.357 1.00 30.21 C ATOM 1120 CD GLU A 72 -18.440 18.329 -12.899 1.00 12.01 C ATOM 1121 OE1 GLU A 72 -18.913 18.791 -11.839 1.00 11.11 O ATOM 1122 OE2 GLU A 72 -19.031 17.480 -13.600 1.00 64.34 O ATOM 0 H GLU A 72 -14.437 19.412 -12.361 1.00 23.54 H new ATOM 0 HA GLU A 72 -15.613 20.755 -14.533 1.00 14.22 H new ATOM 0 HB2 GLU A 72 -16.551 20.094 -11.719 1.00 4.22 H new ATOM 0 HB3 GLU A 72 -17.596 20.851 -12.905 1.00 4.22 H new ATOM 0 HG2 GLU A 72 -17.067 18.872 -14.446 1.00 30.21 H new ATOM 0 HG3 GLU A 72 -16.319 18.106 -13.058 1.00 30.21 H new ATOM 1129 N LYS A 73 -15.149 22.595 -11.820 1.00 64.11 N ATOM 1130 CA LYS A 73 -15.054 23.968 -11.339 1.00 24.24 C ATOM 1131 C LYS A 73 -13.999 24.747 -12.119 1.00 44.33 C ATOM 1132 O LYS A 73 -14.066 25.972 -12.220 1.00 64.11 O ATOM 1133 CB LYS A 73 -14.714 23.985 -9.847 1.00 71.05 C ATOM 1134 CG LYS A 73 -15.896 23.654 -8.950 1.00 13.23 C ATOM 1135 CD LYS A 73 -15.499 23.647 -7.484 1.00 40.43 C ATOM 1136 CE LYS A 73 -16.693 23.915 -6.581 1.00 13.43 C ATOM 1137 NZ LYS A 73 -16.471 25.097 -5.704 1.00 73.41 N ATOM 0 H LYS A 73 -14.963 21.886 -11.111 1.00 64.11 H new ATOM 0 HA LYS A 73 -16.021 24.447 -11.492 1.00 24.24 H new ATOM 0 HB2 LYS A 73 -13.913 23.270 -9.657 1.00 71.05 H new ATOM 0 HB3 LYS A 73 -14.332 24.970 -9.581 1.00 71.05 H new ATOM 0 HG2 LYS A 73 -16.690 24.383 -9.109 1.00 13.23 H new ATOM 0 HG3 LYS A 73 -16.299 22.679 -9.223 1.00 13.23 H new ATOM 0 HD2 LYS A 73 -15.059 22.683 -7.230 1.00 40.43 H new ATOM 0 HD3 LYS A 73 -14.733 24.403 -7.310 1.00 40.43 H new ATOM 0 HE2 LYS A 73 -17.581 24.078 -7.192 1.00 13.43 H new ATOM 0 HE3 LYS A 73 -16.887 23.037 -5.965 1.00 13.43 H new ATOM 0 HZ1 LYS A 73 -17.307 25.246 -5.104 1.00 73.41 H new ATOM 0 HZ2 LYS A 73 -15.639 24.932 -5.103 1.00 73.41 H new ATOM 0 HZ3 LYS A 73 -16.312 25.940 -6.292 1.00 73.41 H new ATOM 1151 N PHE A 74 -13.027 24.028 -12.671 1.00 54.42 N ATOM 1152 CA PHE A 74 -11.959 24.651 -13.442 1.00 34.33 C ATOM 1153 C PHE A 74 -12.362 24.802 -14.906 1.00 73.43 C ATOM 1154 O PHE A 74 -11.862 25.678 -15.612 1.00 52.02 O ATOM 1155 CB PHE A 74 -10.676 23.824 -13.339 1.00 43.31 C ATOM 1156 CG PHE A 74 -9.507 24.436 -14.056 1.00 13.31 C ATOM 1157 CD1 PHE A 74 -8.955 23.815 -15.165 1.00 51.33 C ATOM 1158 CD2 PHE A 74 -8.961 25.633 -13.622 1.00 22.21 C ATOM 1159 CE1 PHE A 74 -7.880 24.376 -15.828 1.00 42.13 C ATOM 1160 CE2 PHE A 74 -7.887 26.199 -14.281 1.00 31.13 C ATOM 1161 CZ PHE A 74 -7.345 25.569 -15.385 1.00 25.35 C ATOM 0 H PHE A 74 -12.958 23.013 -12.598 1.00 54.42 H new ATOM 0 HA PHE A 74 -11.778 25.643 -13.028 1.00 34.33 H new ATOM 0 HB2 PHE A 74 -10.420 23.696 -12.287 1.00 43.31 H new ATOM 0 HB3 PHE A 74 -10.861 22.830 -13.746 1.00 43.31 H new ATOM 0 HD1 PHE A 74 -9.370 22.881 -15.515 1.00 51.33 H new ATOM 0 HD2 PHE A 74 -9.380 26.129 -12.759 1.00 22.21 H new ATOM 0 HE1 PHE A 74 -7.459 23.882 -16.691 1.00 42.13 H new ATOM 0 HE2 PHE A 74 -7.471 27.133 -13.934 1.00 31.13 H new ATOM 0 HZ PHE A 74 -6.504 26.009 -15.900 1.00 25.35 H new ATOM 1171 N GLY A 75 -13.271 23.942 -15.356 1.00 63.23 N ATOM 1172 CA GLY A 75 -13.727 23.996 -16.733 1.00 21.31 C ATOM 1173 C GLY A 75 -13.285 22.790 -17.537 1.00 23.13 C ATOM 1174 O GLY A 75 -12.800 21.806 -16.978 1.00 5.01 O ATOM 0 H GLY A 75 -13.700 23.209 -14.791 1.00 63.23 H new ATOM 0 HA2 GLY A 75 -14.815 24.061 -16.750 1.00 21.31 H new ATOM 0 HA3 GLY A 75 -13.346 24.902 -17.204 1.00 21.31 H new ATOM 1178 N SER A 76 -13.453 22.865 -18.853 1.00 13.32 N ATOM 1179 CA SER A 76 -13.073 21.767 -19.736 1.00 10.02 C ATOM 1180 C SER A 76 -11.694 22.011 -20.342 1.00 1.31 C ATOM 1181 O SER A 76 -11.267 23.154 -20.502 1.00 74.04 O ATOM 1182 CB SER A 76 -14.109 21.598 -20.849 1.00 53.14 C ATOM 1183 OG SER A 76 -14.600 20.269 -20.890 1.00 1.04 O ATOM 0 H SER A 76 -13.849 23.674 -19.332 1.00 13.32 H new ATOM 0 HA SER A 76 -13.034 20.853 -19.144 1.00 10.02 H new ATOM 0 HB2 SER A 76 -14.936 22.290 -20.689 1.00 53.14 H new ATOM 0 HB3 SER A 76 -13.661 21.854 -21.809 1.00 53.14 H new ATOM 0 HG SER A 76 -15.262 20.187 -21.608 1.00 1.04 H new ATOM 1189 N SER A 77 -11.003 20.926 -20.677 1.00 21.32 N ATOM 1190 CA SER A 77 -9.670 21.021 -21.263 1.00 43.22 C ATOM 1191 C SER A 77 -9.110 19.634 -21.566 1.00 43.25 C ATOM 1192 O SER A 77 -9.101 18.754 -20.704 1.00 13.30 O ATOM 1193 CB SER A 77 -8.727 21.768 -20.318 1.00 33.43 C ATOM 1194 OG SER A 77 -7.477 21.109 -20.219 1.00 44.11 O ATOM 0 H SER A 77 -11.343 19.972 -20.553 1.00 21.32 H new ATOM 0 HA SER A 77 -9.750 21.575 -22.199 1.00 43.22 H new ATOM 0 HB2 SER A 77 -8.577 22.786 -20.678 1.00 33.43 H new ATOM 0 HB3 SER A 77 -9.181 21.843 -19.330 1.00 33.43 H new ATOM 0 HG SER A 77 -7.054 21.336 -19.365 1.00 44.11 H new ATOM 1200 N LYS A 78 -8.644 19.446 -22.796 1.00 62.43 N ATOM 1201 CA LYS A 78 -8.082 18.168 -23.214 1.00 23.31 C ATOM 1202 C LYS A 78 -6.958 17.736 -22.278 1.00 21.04 C ATOM 1203 O LYS A 78 -6.684 16.545 -22.131 1.00 30.32 O ATOM 1204 CB LYS A 78 -7.556 18.264 -24.649 1.00 43.11 C ATOM 1205 CG LYS A 78 -7.343 16.913 -25.310 1.00 35.32 C ATOM 1206 CD LYS A 78 -6.150 16.936 -26.251 1.00 52.51 C ATOM 1207 CE LYS A 78 -6.546 17.412 -27.641 1.00 64.42 C ATOM 1208 NZ LYS A 78 -6.571 16.294 -28.624 1.00 74.01 N ATOM 0 H LYS A 78 -8.645 20.163 -23.521 1.00 62.43 H new ATOM 0 HA LYS A 78 -8.874 17.420 -23.172 1.00 23.31 H new ATOM 0 HB2 LYS A 78 -8.259 18.845 -25.247 1.00 43.11 H new ATOM 0 HB3 LYS A 78 -6.613 18.810 -24.646 1.00 43.11 H new ATOM 0 HG2 LYS A 78 -7.190 16.152 -24.545 1.00 35.32 H new ATOM 0 HG3 LYS A 78 -8.239 16.632 -25.863 1.00 35.32 H new ATOM 0 HD2 LYS A 78 -5.379 17.592 -25.847 1.00 52.51 H new ATOM 0 HD3 LYS A 78 -5.717 15.938 -26.317 1.00 52.51 H new ATOM 0 HE2 LYS A 78 -7.530 17.880 -27.598 1.00 64.42 H new ATOM 0 HE3 LYS A 78 -5.844 18.175 -27.977 1.00 64.42 H new ATOM 0 HZ1 LYS A 78 -6.845 16.659 -29.558 1.00 74.01 H new ATOM 0 HZ2 LYS A 78 -5.626 15.863 -28.684 1.00 74.01 H new ATOM 0 HZ3 LYS A 78 -7.259 15.577 -28.317 1.00 74.01 H new ATOM 1222 N GLU A 79 -6.311 18.711 -21.647 1.00 21.52 N ATOM 1223 CA GLU A 79 -5.217 18.429 -20.725 1.00 52.01 C ATOM 1224 C GLU A 79 -5.735 17.760 -19.455 1.00 63.51 C ATOM 1225 O GLU A 79 -5.374 16.624 -19.147 1.00 33.32 O ATOM 1226 CB GLU A 79 -4.475 19.720 -20.369 1.00 42.50 C ATOM 1227 CG GLU A 79 -3.456 19.548 -19.256 1.00 65.24 C ATOM 1228 CD GLU A 79 -3.819 20.327 -18.006 1.00 20.43 C ATOM 1229 OE1 GLU A 79 -2.895 20.733 -17.270 1.00 33.24 O ATOM 1230 OE2 GLU A 79 -5.028 20.531 -17.765 1.00 24.22 O ATOM 0 H GLU A 79 -6.525 19.702 -21.757 1.00 21.52 H new ATOM 0 HA GLU A 79 -4.526 17.746 -21.219 1.00 52.01 H new ATOM 0 HB2 GLU A 79 -3.969 20.096 -21.258 1.00 42.50 H new ATOM 0 HB3 GLU A 79 -5.201 20.477 -20.072 1.00 42.50 H new ATOM 0 HG2 GLU A 79 -3.370 18.490 -19.008 1.00 65.24 H new ATOM 0 HG3 GLU A 79 -2.478 19.873 -19.611 1.00 65.24 H new ATOM 1237 N ILE A 80 -6.582 18.474 -18.721 1.00 31.41 N ATOM 1238 CA ILE A 80 -7.150 17.951 -17.484 1.00 1.32 C ATOM 1239 C ILE A 80 -7.966 16.690 -17.746 1.00 73.31 C ATOM 1240 O ILE A 80 -7.951 15.752 -16.949 1.00 3.20 O ATOM 1241 CB ILE A 80 -8.045 18.994 -16.790 1.00 42.14 C ATOM 1242 CG1 ILE A 80 -8.644 18.412 -15.508 1.00 4.31 C ATOM 1243 CG2 ILE A 80 -9.145 19.459 -17.732 1.00 71.31 C ATOM 1244 CD1 ILE A 80 -8.740 19.412 -14.378 1.00 74.05 C ATOM 0 H ILE A 80 -6.890 19.416 -18.961 1.00 31.41 H new ATOM 0 HA ILE A 80 -6.313 17.710 -16.828 1.00 1.32 H new ATOM 0 HB ILE A 80 -7.434 19.856 -16.524 1.00 42.14 H new ATOM 0 HG12 ILE A 80 -9.639 18.025 -15.725 1.00 4.31 H new ATOM 0 HG13 ILE A 80 -8.037 17.567 -15.184 1.00 4.31 H new ATOM 0 HG21 ILE A 80 -9.769 20.196 -17.227 1.00 71.31 H new ATOM 0 HG22 ILE A 80 -8.699 19.908 -18.619 1.00 71.31 H new ATOM 0 HG23 ILE A 80 -9.757 18.606 -18.026 1.00 71.31 H new ATOM 0 HD11 ILE A 80 -9.173 18.930 -13.502 1.00 74.05 H new ATOM 0 HD12 ILE A 80 -7.744 19.782 -14.134 1.00 74.05 H new ATOM 0 HD13 ILE A 80 -9.372 20.246 -14.683 1.00 74.05 H new ATOM 1256 N ASP A 81 -8.679 16.675 -18.867 1.00 1.42 N ATOM 1257 CA ASP A 81 -9.500 15.528 -19.235 1.00 33.22 C ATOM 1258 C ASP A 81 -8.647 14.271 -19.375 1.00 65.04 C ATOM 1259 O ASP A 81 -9.013 13.204 -18.883 1.00 53.52 O ATOM 1260 CB ASP A 81 -10.241 15.804 -20.545 1.00 71.10 C ATOM 1261 CG ASP A 81 -11.515 14.993 -20.671 1.00 40.51 C ATOM 1262 OD1 ASP A 81 -12.455 15.464 -21.346 1.00 1.30 O ATOM 1263 OD2 ASP A 81 -11.573 13.885 -20.096 1.00 21.52 O ATOM 0 H ASP A 81 -8.705 17.444 -19.536 1.00 1.42 H new ATOM 0 HA ASP A 81 -10.229 15.364 -18.441 1.00 33.22 H new ATOM 0 HB2 ASP A 81 -10.482 16.865 -20.606 1.00 71.10 H new ATOM 0 HB3 ASP A 81 -9.585 15.577 -21.385 1.00 71.10 H new ATOM 1268 N MET A 82 -7.509 14.405 -20.048 1.00 60.43 N ATOM 1269 CA MET A 82 -6.604 13.280 -20.251 1.00 11.43 C ATOM 1270 C MET A 82 -6.077 12.759 -18.919 1.00 41.44 C ATOM 1271 O MET A 82 -6.021 11.550 -18.692 1.00 35.02 O ATOM 1272 CB MET A 82 -5.436 13.693 -21.148 1.00 13.52 C ATOM 1273 CG MET A 82 -4.643 12.516 -21.694 1.00 65.44 C ATOM 1274 SD MET A 82 -4.484 12.558 -23.490 1.00 43.24 S ATOM 1275 CE MET A 82 -2.798 13.134 -23.667 1.00 44.04 C ATOM 0 H MET A 82 -7.192 15.282 -20.462 1.00 60.43 H new ATOM 0 HA MET A 82 -7.162 12.481 -20.738 1.00 11.43 H new ATOM 0 HB2 MET A 82 -5.819 14.281 -21.982 1.00 13.52 H new ATOM 0 HB3 MET A 82 -4.766 14.341 -20.583 1.00 13.52 H new ATOM 0 HG2 MET A 82 -3.650 12.513 -21.245 1.00 65.44 H new ATOM 0 HG3 MET A 82 -5.129 11.587 -21.398 1.00 65.44 H new ATOM 0 HE1 MET A 82 -2.549 13.212 -24.725 1.00 44.04 H new ATOM 0 HE2 MET A 82 -2.697 14.112 -23.198 1.00 44.04 H new ATOM 0 HE3 MET A 82 -2.120 12.429 -23.186 1.00 44.04 H new ATOM 1285 N ALA A 83 -5.692 13.678 -18.039 1.00 3.54 N ATOM 1286 CA ALA A 83 -5.171 13.309 -16.728 1.00 34.53 C ATOM 1287 C ALA A 83 -6.154 12.419 -15.977 1.00 15.33 C ATOM 1288 O ALA A 83 -5.767 11.409 -15.389 1.00 50.12 O ATOM 1289 CB ALA A 83 -4.859 14.558 -15.915 1.00 51.22 C ATOM 0 H ALA A 83 -5.731 14.683 -18.210 1.00 3.54 H new ATOM 0 HA ALA A 83 -4.251 12.744 -16.875 1.00 34.53 H new ATOM 0 HB1 ALA A 83 -4.471 14.269 -14.938 1.00 51.22 H new ATOM 0 HB2 ALA A 83 -4.114 15.156 -16.439 1.00 51.22 H new ATOM 0 HB3 ALA A 83 -5.769 15.144 -15.785 1.00 51.22 H new ATOM 1295 N ILE A 84 -7.427 12.799 -16.001 1.00 14.12 N ATOM 1296 CA ILE A 84 -8.466 12.032 -15.322 1.00 21.53 C ATOM 1297 C ILE A 84 -8.599 10.636 -15.920 1.00 35.43 C ATOM 1298 O ILE A 84 -8.507 9.634 -15.213 1.00 60.43 O ATOM 1299 CB ILE A 84 -9.830 12.744 -15.398 1.00 64.14 C ATOM 1300 CG1 ILE A 84 -9.751 14.118 -14.729 1.00 24.01 C ATOM 1301 CG2 ILE A 84 -10.908 11.892 -14.744 1.00 23.50 C ATOM 1302 CD1 ILE A 84 -9.482 14.052 -13.241 1.00 13.21 C ATOM 0 H ILE A 84 -7.764 13.632 -16.483 1.00 14.12 H new ATOM 0 HA ILE A 84 -8.166 11.949 -14.277 1.00 21.53 H new ATOM 0 HB ILE A 84 -10.092 12.886 -16.447 1.00 64.14 H new ATOM 0 HG12 ILE A 84 -8.964 14.701 -15.207 1.00 24.01 H new ATOM 0 HG13 ILE A 84 -10.688 14.649 -14.897 1.00 24.01 H new ATOM 0 HG21 ILE A 84 -11.866 12.408 -14.805 1.00 23.50 H new ATOM 0 HG22 ILE A 84 -10.978 10.934 -15.260 1.00 23.50 H new ATOM 0 HG23 ILE A 84 -10.653 11.723 -13.698 1.00 23.50 H new ATOM 0 HD11 ILE A 84 -9.439 15.062 -12.834 1.00 13.21 H new ATOM 0 HD12 ILE A 84 -10.282 13.497 -12.751 1.00 13.21 H new ATOM 0 HD13 ILE A 84 -8.531 13.549 -13.065 1.00 13.21 H new ATOM 1314 N VAL A 85 -8.815 10.579 -17.231 1.00 12.32 N ATOM 1315 CA VAL A 85 -8.959 9.305 -17.927 1.00 4.14 C ATOM 1316 C VAL A 85 -7.798 8.370 -17.606 1.00 60.14 C ATOM 1317 O VAL A 85 -7.971 7.154 -17.516 1.00 71.54 O ATOM 1318 CB VAL A 85 -9.035 9.504 -19.452 1.00 51.03 C ATOM 1319 CG1 VAL A 85 -9.145 8.163 -20.161 1.00 71.02 C ATOM 1320 CG2 VAL A 85 -10.206 10.406 -19.813 1.00 51.32 C ATOM 0 H VAL A 85 -8.894 11.399 -17.832 1.00 12.32 H new ATOM 0 HA VAL A 85 -9.890 8.858 -17.579 1.00 4.14 H new ATOM 0 HB VAL A 85 -8.117 9.988 -19.784 1.00 51.03 H new ATOM 0 HG11 VAL A 85 -9.198 8.324 -21.238 1.00 71.02 H new ATOM 0 HG12 VAL A 85 -8.271 7.555 -19.927 1.00 71.02 H new ATOM 0 HG13 VAL A 85 -10.045 7.648 -19.827 1.00 71.02 H new ATOM 0 HG21 VAL A 85 -10.245 10.536 -20.894 1.00 51.32 H new ATOM 0 HG22 VAL A 85 -11.135 9.952 -19.468 1.00 51.32 H new ATOM 0 HG23 VAL A 85 -10.078 11.377 -19.335 1.00 51.32 H new ATOM 1330 N THR A 86 -6.612 8.945 -17.431 1.00 33.30 N ATOM 1331 CA THR A 86 -5.421 8.164 -17.120 1.00 13.20 C ATOM 1332 C THR A 86 -5.526 7.530 -15.738 1.00 70.22 C ATOM 1333 O THR A 86 -5.267 6.338 -15.569 1.00 42.02 O ATOM 1334 CB THR A 86 -4.150 9.030 -17.181 1.00 4.33 C ATOM 1335 OG1 THR A 86 -3.973 9.550 -18.504 1.00 41.24 O ATOM 1336 CG2 THR A 86 -2.925 8.221 -16.782 1.00 43.32 C ATOM 0 H THR A 86 -6.451 9.950 -17.499 1.00 33.30 H new ATOM 0 HA THR A 86 -5.352 7.379 -17.873 1.00 13.20 H new ATOM 0 HB THR A 86 -4.266 9.856 -16.479 1.00 4.33 H new ATOM 0 HG1 THR A 86 -4.627 10.262 -18.666 1.00 41.24 H new ATOM 0 HG21 THR A 86 -2.039 8.854 -16.833 1.00 43.32 H new ATOM 0 HG22 THR A 86 -3.049 7.851 -15.764 1.00 43.32 H new ATOM 0 HG23 THR A 86 -2.808 7.378 -17.463 1.00 43.32 H new ATOM 1344 N LEU A 87 -5.907 8.334 -14.752 1.00 64.23 N ATOM 1345 CA LEU A 87 -6.046 7.851 -13.381 1.00 11.03 C ATOM 1346 C LEU A 87 -7.036 6.693 -13.311 1.00 60.12 C ATOM 1347 O LEU A 87 -6.868 5.765 -12.519 1.00 21.13 O ATOM 1348 CB LEU A 87 -6.504 8.986 -12.464 1.00 52.51 C ATOM 1349 CG LEU A 87 -5.500 9.441 -11.405 1.00 21.34 C ATOM 1350 CD1 LEU A 87 -5.348 8.383 -10.323 1.00 73.42 C ATOM 1351 CD2 LEU A 87 -4.153 9.747 -12.045 1.00 20.14 C ATOM 0 H LEU A 87 -6.125 9.323 -14.875 1.00 64.23 H new ATOM 0 HA LEU A 87 -5.072 7.493 -13.046 1.00 11.03 H new ATOM 0 HB2 LEU A 87 -6.762 9.845 -13.084 1.00 52.51 H new ATOM 0 HB3 LEU A 87 -7.417 8.672 -11.959 1.00 52.51 H new ATOM 0 HG LEU A 87 -5.877 10.353 -10.943 1.00 21.34 H new ATOM 0 HD11 LEU A 87 -4.629 8.725 -9.578 1.00 73.42 H new ATOM 0 HD12 LEU A 87 -6.312 8.211 -9.845 1.00 73.42 H new ATOM 0 HD13 LEU A 87 -4.993 7.454 -10.770 1.00 73.42 H new ATOM 0 HD21 LEU A 87 -3.450 10.070 -11.277 1.00 20.14 H new ATOM 0 HD22 LEU A 87 -3.770 8.851 -12.534 1.00 20.14 H new ATOM 0 HD23 LEU A 87 -4.273 10.540 -12.783 1.00 20.14 H new ATOM 1363 N LYS A 88 -8.068 6.752 -14.145 1.00 54.34 N ATOM 1364 CA LYS A 88 -9.085 5.708 -14.180 1.00 12.34 C ATOM 1365 C LYS A 88 -8.583 4.485 -14.942 1.00 10.52 C ATOM 1366 O LYS A 88 -8.507 3.386 -14.391 1.00 34.03 O ATOM 1367 CB LYS A 88 -10.366 6.235 -14.831 1.00 31.51 C ATOM 1368 CG LYS A 88 -10.970 7.426 -14.107 1.00 45.11 C ATOM 1369 CD LYS A 88 -11.467 8.478 -15.083 1.00 71.31 C ATOM 1370 CE LYS A 88 -12.851 8.983 -14.703 1.00 62.24 C ATOM 1371 NZ LYS A 88 -13.490 9.742 -15.812 1.00 23.53 N ATOM 0 H LYS A 88 -8.222 7.513 -14.807 1.00 54.34 H new ATOM 0 HA LYS A 88 -9.301 5.413 -13.153 1.00 12.34 H new ATOM 0 HB2 LYS A 88 -10.150 6.518 -15.861 1.00 31.51 H new ATOM 0 HB3 LYS A 88 -11.102 5.432 -14.868 1.00 31.51 H new ATOM 0 HG2 LYS A 88 -11.796 7.091 -13.480 1.00 45.11 H new ATOM 0 HG3 LYS A 88 -10.225 7.866 -13.444 1.00 45.11 H new ATOM 0 HD2 LYS A 88 -10.767 9.314 -15.106 1.00 71.31 H new ATOM 0 HD3 LYS A 88 -11.495 8.058 -16.089 1.00 71.31 H new ATOM 0 HE2 LYS A 88 -13.483 8.138 -14.430 1.00 62.24 H new ATOM 0 HE3 LYS A 88 -12.775 9.622 -13.823 1.00 62.24 H new ATOM 0 HZ1 LYS A 88 -14.019 10.548 -15.422 1.00 23.53 H new ATOM 0 HZ2 LYS A 88 -12.757 10.091 -16.461 1.00 23.53 H new ATOM 0 HZ3 LYS A 88 -14.142 9.118 -16.329 1.00 23.53 H new ATOM 1385 N VAL A 89 -8.238 4.683 -16.210 1.00 31.45 N ATOM 1386 CA VAL A 89 -7.740 3.598 -17.046 1.00 0.12 C ATOM 1387 C VAL A 89 -6.579 2.873 -16.372 1.00 72.44 C ATOM 1388 O VAL A 89 -6.493 1.646 -16.409 1.00 14.04 O ATOM 1389 CB VAL A 89 -7.279 4.115 -18.421 1.00 4.44 C ATOM 1390 CG1 VAL A 89 -6.715 2.976 -19.258 1.00 12.21 C ATOM 1391 CG2 VAL A 89 -8.427 4.801 -19.145 1.00 62.45 C ATOM 0 H VAL A 89 -8.294 5.586 -16.681 1.00 31.45 H new ATOM 0 HA VAL A 89 -8.567 2.902 -17.187 1.00 0.12 H new ATOM 0 HB VAL A 89 -6.487 4.848 -18.267 1.00 4.44 H new ATOM 0 HG11 VAL A 89 -6.394 3.360 -20.226 1.00 12.21 H new ATOM 0 HG12 VAL A 89 -5.862 2.533 -18.743 1.00 12.21 H new ATOM 0 HG13 VAL A 89 -7.484 2.217 -19.405 1.00 12.21 H new ATOM 0 HG21 VAL A 89 -8.083 5.160 -20.115 1.00 62.45 H new ATOM 0 HG22 VAL A 89 -9.242 4.092 -19.289 1.00 62.45 H new ATOM 0 HG23 VAL A 89 -8.780 5.644 -18.551 1.00 62.45 H new ATOM 1401 N PHE A 90 -5.688 3.642 -15.755 1.00 21.13 N ATOM 1402 CA PHE A 90 -4.531 3.074 -15.072 1.00 0.04 C ATOM 1403 C PHE A 90 -4.958 2.308 -13.823 1.00 30.33 C ATOM 1404 O PHE A 90 -4.509 1.188 -13.586 1.00 23.23 O ATOM 1405 CB PHE A 90 -3.542 4.179 -14.693 1.00 14.11 C ATOM 1406 CG PHE A 90 -2.153 3.674 -14.426 1.00 41.04 C ATOM 1407 CD1 PHE A 90 -1.254 3.498 -15.464 1.00 1.32 C ATOM 1408 CD2 PHE A 90 -1.748 3.376 -13.134 1.00 12.44 C ATOM 1409 CE1 PHE A 90 0.025 3.034 -15.221 1.00 43.21 C ATOM 1410 CE2 PHE A 90 -0.471 2.913 -12.885 1.00 4.34 C ATOM 1411 CZ PHE A 90 0.418 2.740 -13.929 1.00 34.02 C ATOM 0 H PHE A 90 -5.745 4.660 -15.714 1.00 21.13 H new ATOM 0 HA PHE A 90 -4.044 2.378 -15.755 1.00 0.04 H new ATOM 0 HB2 PHE A 90 -3.505 4.914 -15.497 1.00 14.11 H new ATOM 0 HB3 PHE A 90 -3.909 4.696 -13.806 1.00 14.11 H new ATOM 0 HD1 PHE A 90 -1.556 3.726 -16.476 1.00 1.32 H new ATOM 0 HD2 PHE A 90 -2.438 3.507 -12.314 1.00 12.44 H new ATOM 0 HE1 PHE A 90 0.717 2.901 -16.040 1.00 43.21 H new ATOM 0 HE2 PHE A 90 -0.167 2.686 -11.874 1.00 4.34 H new ATOM 0 HZ PHE A 90 1.416 2.376 -13.736 1.00 34.02 H new ATOM 1421 N ALA A 91 -5.829 2.923 -13.029 1.00 22.22 N ATOM 1422 CA ALA A 91 -6.319 2.299 -11.806 1.00 22.52 C ATOM 1423 C ALA A 91 -6.882 0.910 -12.085 1.00 63.15 C ATOM 1424 O ALA A 91 -6.636 -0.032 -11.333 1.00 12.41 O ATOM 1425 CB ALA A 91 -7.375 3.179 -11.152 1.00 12.42 C ATOM 0 H ALA A 91 -6.209 3.852 -13.211 1.00 22.22 H new ATOM 0 HA ALA A 91 -5.478 2.189 -11.121 1.00 22.52 H new ATOM 0 HB1 ALA A 91 -7.733 2.701 -10.240 1.00 12.42 H new ATOM 0 HB2 ALA A 91 -6.940 4.148 -10.908 1.00 12.42 H new ATOM 0 HB3 ALA A 91 -8.209 3.318 -11.840 1.00 12.42 H new ATOM 1431 N VAL A 92 -7.640 0.791 -13.170 1.00 23.22 N ATOM 1432 CA VAL A 92 -8.237 -0.483 -13.549 1.00 54.11 C ATOM 1433 C VAL A 92 -7.231 -1.369 -14.274 1.00 3.13 C ATOM 1434 O VAL A 92 -7.235 -2.590 -14.115 1.00 62.42 O ATOM 1435 CB VAL A 92 -9.470 -0.280 -14.451 1.00 24.14 C ATOM 1436 CG1 VAL A 92 -10.552 0.490 -13.711 1.00 71.04 C ATOM 1437 CG2 VAL A 92 -9.076 0.438 -15.734 1.00 11.32 C ATOM 0 H VAL A 92 -7.855 1.562 -13.802 1.00 23.22 H new ATOM 0 HA VAL A 92 -8.548 -0.972 -12.626 1.00 54.11 H new ATOM 0 HB VAL A 92 -9.871 -1.258 -14.716 1.00 24.14 H new ATOM 0 HG11 VAL A 92 -11.415 0.624 -14.364 1.00 71.04 H new ATOM 0 HG12 VAL A 92 -10.852 -0.066 -12.823 1.00 71.04 H new ATOM 0 HG13 VAL A 92 -10.166 1.466 -13.415 1.00 71.04 H new ATOM 0 HG21 VAL A 92 -9.958 0.574 -16.360 1.00 11.32 H new ATOM 0 HG22 VAL A 92 -8.651 1.411 -15.490 1.00 11.32 H new ATOM 0 HG23 VAL A 92 -8.337 -0.156 -16.271 1.00 11.32 H new ATOM 1447 N ALA A 93 -6.368 -0.746 -15.071 1.00 42.24 N ATOM 1448 CA ALA A 93 -5.354 -1.478 -15.818 1.00 22.25 C ATOM 1449 C ALA A 93 -4.355 -2.145 -14.880 1.00 42.00 C ATOM 1450 O ALA A 93 -3.622 -3.049 -15.278 1.00 1.34 O ATOM 1451 CB ALA A 93 -4.634 -0.546 -16.782 1.00 70.24 C ATOM 0 H ALA A 93 -6.352 0.264 -15.215 1.00 42.24 H new ATOM 0 HA ALA A 93 -5.854 -2.260 -16.390 1.00 22.25 H new ATOM 0 HB1 ALA A 93 -3.879 -1.106 -17.334 1.00 70.24 H new ATOM 0 HB2 ALA A 93 -5.353 -0.120 -17.482 1.00 70.24 H new ATOM 0 HB3 ALA A 93 -4.154 0.256 -16.222 1.00 70.24 H new ATOM 1457 N GLY A 94 -4.330 -1.693 -13.629 1.00 34.13 N ATOM 1458 CA GLY A 94 -3.416 -2.258 -12.654 1.00 72.30 C ATOM 1459 C GLY A 94 -4.124 -3.117 -11.626 1.00 54.44 C ATOM 1460 O GLY A 94 -3.924 -4.332 -11.578 1.00 53.10 O ATOM 0 H GLY A 94 -4.927 -0.946 -13.274 1.00 34.13 H new ATOM 0 HA2 GLY A 94 -2.665 -2.857 -13.169 1.00 72.30 H new ATOM 0 HA3 GLY A 94 -2.887 -1.451 -12.147 1.00 72.30 H new ATOM 1464 N LEU A 95 -4.953 -2.489 -10.801 1.00 71.23 N ATOM 1465 CA LEU A 95 -5.693 -3.204 -9.766 1.00 14.12 C ATOM 1466 C LEU A 95 -6.550 -4.309 -10.376 1.00 75.21 C ATOM 1467 O LEU A 95 -6.733 -5.369 -9.777 1.00 14.24 O ATOM 1468 CB LEU A 95 -6.575 -2.234 -8.979 1.00 43.45 C ATOM 1469 CG LEU A 95 -5.862 -1.379 -7.930 1.00 70.11 C ATOM 1470 CD1 LEU A 95 -5.131 -2.261 -6.931 1.00 44.01 C ATOM 1471 CD2 LEU A 95 -4.896 -0.411 -8.598 1.00 11.24 C ATOM 0 H LEU A 95 -5.130 -1.485 -10.828 1.00 71.23 H new ATOM 0 HA LEU A 95 -4.972 -3.661 -9.088 1.00 14.12 H new ATOM 0 HB2 LEU A 95 -7.069 -1.568 -9.686 1.00 43.45 H new ATOM 0 HB3 LEU A 95 -7.357 -2.807 -8.481 1.00 43.45 H new ATOM 0 HG LEU A 95 -6.611 -0.799 -7.391 1.00 70.11 H new ATOM 0 HD11 LEU A 95 -4.630 -1.636 -6.192 1.00 44.01 H new ATOM 0 HD12 LEU A 95 -5.846 -2.913 -6.429 1.00 44.01 H new ATOM 0 HD13 LEU A 95 -4.392 -2.868 -7.454 1.00 44.01 H new ATOM 0 HD21 LEU A 95 -4.398 0.189 -7.837 1.00 11.24 H new ATOM 0 HD22 LEU A 95 -4.151 -0.972 -9.163 1.00 11.24 H new ATOM 0 HD23 LEU A 95 -5.446 0.244 -9.274 1.00 11.24 H new ATOM 1483 N LEU A 96 -7.074 -4.053 -11.570 1.00 10.24 N ATOM 1484 CA LEU A 96 -7.910 -5.026 -12.264 1.00 73.12 C ATOM 1485 C LEU A 96 -7.132 -5.718 -13.378 1.00 34.45 C ATOM 1486 O LEU A 96 -7.634 -6.640 -14.019 1.00 52.50 O ATOM 1487 CB LEU A 96 -9.151 -4.343 -12.840 1.00 73.12 C ATOM 1488 CG LEU A 96 -10.494 -4.780 -12.251 1.00 20.15 C ATOM 1489 CD1 LEU A 96 -10.777 -6.235 -12.593 1.00 10.03 C ATOM 1490 CD2 LEU A 96 -10.508 -4.572 -10.744 1.00 30.30 C ATOM 0 H LEU A 96 -6.934 -3.179 -12.078 1.00 10.24 H new ATOM 0 HA LEU A 96 -8.221 -5.781 -11.542 1.00 73.12 H new ATOM 0 HB2 LEU A 96 -9.048 -3.267 -12.698 1.00 73.12 H new ATOM 0 HB3 LEU A 96 -9.173 -4.522 -13.915 1.00 73.12 H new ATOM 0 HG LEU A 96 -11.280 -4.165 -12.690 1.00 20.15 H new ATOM 0 HD11 LEU A 96 -11.736 -6.529 -12.166 1.00 10.03 H new ATOM 0 HD12 LEU A 96 -10.810 -6.354 -13.676 1.00 10.03 H new ATOM 0 HD13 LEU A 96 -9.988 -6.865 -12.182 1.00 10.03 H new ATOM 0 HD21 LEU A 96 -11.471 -4.888 -10.342 1.00 30.30 H new ATOM 0 HD22 LEU A 96 -9.713 -5.162 -10.288 1.00 30.30 H new ATOM 0 HD23 LEU A 96 -10.350 -3.517 -10.521 1.00 30.30 H new ATOM 1502 N ASN A 97 -5.903 -5.265 -13.604 1.00 44.41 N ATOM 1503 CA ASN A 97 -5.055 -5.842 -14.641 1.00 24.33 C ATOM 1504 C ASN A 97 -5.788 -5.892 -15.978 1.00 44.11 C ATOM 1505 O ASN A 97 -5.539 -6.773 -16.800 1.00 51.40 O ATOM 1506 CB ASN A 97 -4.606 -7.247 -14.239 1.00 51.41 C ATOM 1507 CG ASN A 97 -4.218 -7.334 -12.775 1.00 23.45 C ATOM 1508 OD1 ASN A 97 -5.056 -7.596 -11.913 1.00 33.15 O ATOM 1509 ND2 ASN A 97 -2.939 -7.113 -12.489 1.00 54.21 N ATOM 0 H ASN A 97 -5.472 -4.501 -13.083 1.00 44.41 H new ATOM 0 HA ASN A 97 -4.177 -5.206 -14.753 1.00 24.33 H new ATOM 0 HB2 ASN A 97 -5.410 -7.954 -14.441 1.00 51.41 H new ATOM 0 HB3 ASN A 97 -3.757 -7.544 -14.855 1.00 51.41 H new ATOM 0 HD21 ASN A 97 -2.618 -7.157 -11.522 1.00 54.21 H new ATOM 0 HD22 ASN A 97 -2.279 -6.899 -13.237 1.00 54.21 H new ATOM 1516 N MET A 98 -6.692 -4.941 -16.187 1.00 55.42 N ATOM 1517 CA MET A 98 -7.461 -4.876 -17.425 1.00 43.22 C ATOM 1518 C MET A 98 -6.696 -4.112 -18.501 1.00 23.21 C ATOM 1519 O MET A 98 -6.620 -2.883 -18.468 1.00 11.32 O ATOM 1520 CB MET A 98 -8.816 -4.211 -17.176 1.00 23.40 C ATOM 1521 CG MET A 98 -9.853 -5.148 -16.579 1.00 1.34 C ATOM 1522 SD MET A 98 -10.739 -6.092 -17.836 1.00 60.54 S ATOM 1523 CE MET A 98 -9.822 -7.630 -17.813 1.00 42.41 C ATOM 0 H MET A 98 -6.910 -4.205 -15.516 1.00 55.42 H new ATOM 0 HA MET A 98 -7.624 -5.895 -17.775 1.00 43.22 H new ATOM 0 HB2 MET A 98 -8.677 -3.362 -16.506 1.00 23.40 H new ATOM 0 HB3 MET A 98 -9.196 -3.815 -18.118 1.00 23.40 H new ATOM 0 HG2 MET A 98 -9.362 -5.837 -15.891 1.00 1.34 H new ATOM 0 HG3 MET A 98 -10.567 -4.568 -15.994 1.00 1.34 H new ATOM 0 HE1 MET A 98 -10.480 -8.450 -18.098 1.00 42.41 H new ATOM 0 HE2 MET A 98 -8.992 -7.569 -18.517 1.00 42.41 H new ATOM 0 HE3 MET A 98 -9.435 -7.808 -16.810 1.00 42.41 H new ATOM 1533 N THR A 99 -6.129 -4.846 -19.453 1.00 4.33 N ATOM 1534 CA THR A 99 -5.368 -4.237 -20.537 1.00 53.12 C ATOM 1535 C THR A 99 -6.253 -3.333 -21.389 1.00 64.12 C ATOM 1536 O THR A 99 -5.762 -2.438 -22.077 1.00 70.52 O ATOM 1537 CB THR A 99 -4.724 -5.305 -21.440 1.00 31.31 C ATOM 1538 OG1 THR A 99 -4.030 -4.676 -22.524 1.00 53.34 O ATOM 1539 CG2 THR A 99 -5.777 -6.256 -21.990 1.00 74.35 C ATOM 0 H THR A 99 -6.182 -5.864 -19.495 1.00 4.33 H new ATOM 0 HA THR A 99 -4.581 -3.640 -20.075 1.00 53.12 H new ATOM 0 HB THR A 99 -4.017 -5.878 -20.840 1.00 31.31 H new ATOM 0 HG1 THR A 99 -3.622 -5.362 -23.093 1.00 53.34 H new ATOM 0 HG21 THR A 99 -5.298 -7.001 -22.625 1.00 74.35 H new ATOM 0 HG22 THR A 99 -6.284 -6.755 -21.164 1.00 74.35 H new ATOM 0 HG23 THR A 99 -6.504 -5.694 -22.576 1.00 74.35 H new ATOM 1547 N VAL A 100 -7.559 -3.572 -21.337 1.00 53.04 N ATOM 1548 CA VAL A 100 -8.512 -2.779 -22.102 1.00 34.24 C ATOM 1549 C VAL A 100 -8.013 -2.539 -23.523 1.00 25.02 C ATOM 1550 O VAL A 100 -7.086 -3.203 -23.986 1.00 13.32 O ATOM 1551 CB VAL A 100 -8.781 -1.420 -21.428 1.00 1.13 C ATOM 1552 CG1 VAL A 100 -9.179 -1.614 -19.974 1.00 44.52 C ATOM 1553 CG2 VAL A 100 -7.559 -0.520 -21.539 1.00 75.33 C ATOM 0 H VAL A 100 -7.981 -4.309 -20.772 1.00 53.04 H new ATOM 0 HA VAL A 100 -9.440 -3.349 -22.138 1.00 34.24 H new ATOM 0 HB VAL A 100 -9.610 -0.936 -21.945 1.00 1.13 H new ATOM 0 HG11 VAL A 100 -9.365 -0.643 -19.515 1.00 44.52 H new ATOM 0 HG12 VAL A 100 -10.084 -2.219 -19.922 1.00 44.52 H new ATOM 0 HG13 VAL A 100 -8.374 -2.119 -19.441 1.00 44.52 H new ATOM 0 HG21 VAL A 100 -7.766 0.436 -21.058 1.00 75.33 H new ATOM 0 HG22 VAL A 100 -6.710 -0.997 -21.049 1.00 75.33 H new ATOM 0 HG23 VAL A 100 -7.324 -0.354 -22.590 1.00 75.33 H new ATOM 1563 N SER A 101 -8.632 -1.583 -24.209 1.00 1.41 N ATOM 1564 CA SER A 101 -8.253 -1.257 -25.579 1.00 4.12 C ATOM 1565 C SER A 101 -8.002 0.240 -25.731 1.00 13.54 C ATOM 1566 O SER A 101 -6.998 0.659 -26.308 1.00 4.24 O ATOM 1567 CB SER A 101 -9.343 -1.706 -26.553 1.00 52.32 C ATOM 1568 OG SER A 101 -9.873 -2.966 -26.182 1.00 3.54 O ATOM 0 H SER A 101 -9.398 -1.021 -23.838 1.00 1.41 H new ATOM 0 HA SER A 101 -7.329 -1.787 -25.811 1.00 4.12 H new ATOM 0 HB2 SER A 101 -10.142 -0.965 -26.576 1.00 52.32 H new ATOM 0 HB3 SER A 101 -8.933 -1.764 -27.561 1.00 52.32 H new ATOM 0 HG SER A 101 -10.569 -3.229 -26.820 1.00 3.54 H new ATOM 1574 N THR A 102 -8.924 1.044 -25.210 1.00 25.12 N ATOM 1575 CA THR A 102 -8.805 2.494 -25.288 1.00 43.53 C ATOM 1576 C THR A 102 -9.045 3.140 -23.928 1.00 0.44 C ATOM 1577 O THR A 102 -9.671 2.546 -23.051 1.00 73.02 O ATOM 1578 CB THR A 102 -9.800 3.084 -26.306 1.00 23.44 C ATOM 1579 OG1 THR A 102 -11.128 3.045 -25.772 1.00 21.31 O ATOM 1580 CG2 THR A 102 -9.752 2.316 -27.618 1.00 24.12 C ATOM 0 H THR A 102 -9.761 0.715 -24.730 1.00 25.12 H new ATOM 0 HA THR A 102 -7.788 2.711 -25.615 1.00 43.53 H new ATOM 0 HB THR A 102 -9.517 4.119 -26.499 1.00 23.44 H new ATOM 0 HG1 THR A 102 -11.754 3.423 -26.424 1.00 21.31 H new ATOM 0 HG21 THR A 102 -10.463 2.751 -28.320 1.00 24.12 H new ATOM 0 HG22 THR A 102 -8.747 2.373 -28.036 1.00 24.12 H new ATOM 0 HG23 THR A 102 -10.011 1.273 -27.439 1.00 24.12 H new ATOM 1588 N ALA A 103 -8.542 4.358 -23.760 1.00 44.11 N ATOM 1589 CA ALA A 103 -8.703 5.085 -22.507 1.00 21.20 C ATOM 1590 C ALA A 103 -10.178 5.303 -22.185 1.00 44.33 C ATOM 1591 O ALA A 103 -10.580 5.273 -21.022 1.00 72.11 O ATOM 1592 CB ALA A 103 -7.974 6.419 -22.572 1.00 4.25 C ATOM 0 H ALA A 103 -8.019 4.862 -24.476 1.00 44.11 H new ATOM 0 HA ALA A 103 -8.267 4.484 -21.709 1.00 21.20 H new ATOM 0 HB1 ALA A 103 -8.103 6.951 -21.629 1.00 4.25 H new ATOM 0 HB2 ALA A 103 -6.912 6.245 -22.748 1.00 4.25 H new ATOM 0 HB3 ALA A 103 -8.383 7.018 -23.385 1.00 4.25 H new ATOM 1598 N ALA A 104 -10.980 5.522 -23.222 1.00 2.21 N ATOM 1599 CA ALA A 104 -12.410 5.742 -23.048 1.00 30.54 C ATOM 1600 C ALA A 104 -13.112 4.465 -22.602 1.00 71.32 C ATOM 1601 O ALA A 104 -14.064 4.509 -21.822 1.00 23.44 O ATOM 1602 CB ALA A 104 -13.024 6.261 -24.341 1.00 22.11 C ATOM 0 H ALA A 104 -10.663 5.552 -24.191 1.00 2.21 H new ATOM 0 HA ALA A 104 -12.546 6.490 -22.267 1.00 30.54 H new ATOM 0 HB1 ALA A 104 -14.093 6.421 -24.198 1.00 22.11 H new ATOM 0 HB2 ALA A 104 -12.550 7.203 -24.617 1.00 22.11 H new ATOM 0 HB3 ALA A 104 -12.870 5.531 -25.136 1.00 22.11 H new ATOM 1608 N ALA A 105 -12.638 3.328 -23.101 1.00 22.20 N ATOM 1609 CA ALA A 105 -13.221 2.039 -22.752 1.00 24.21 C ATOM 1610 C ALA A 105 -12.972 1.703 -21.285 1.00 63.54 C ATOM 1611 O ALA A 105 -13.898 1.358 -20.552 1.00 3.32 O ATOM 1612 CB ALA A 105 -12.658 0.946 -23.647 1.00 2.55 C ATOM 0 H ALA A 105 -11.852 3.274 -23.748 1.00 22.20 H new ATOM 0 HA ALA A 105 -14.298 2.102 -22.906 1.00 24.21 H new ATOM 0 HB1 ALA A 105 -13.102 -0.012 -23.375 1.00 2.55 H new ATOM 0 HB2 ALA A 105 -12.891 1.172 -24.688 1.00 2.55 H new ATOM 0 HB3 ALA A 105 -11.577 0.893 -23.521 1.00 2.55 H new ATOM 1618 N ALA A 106 -11.715 1.806 -20.864 1.00 75.40 N ATOM 1619 CA ALA A 106 -11.345 1.515 -19.485 1.00 72.15 C ATOM 1620 C ALA A 106 -11.983 2.513 -18.523 1.00 5.14 C ATOM 1621 O ALA A 106 -12.382 2.153 -17.416 1.00 20.22 O ATOM 1622 CB ALA A 106 -9.832 1.524 -19.331 1.00 42.14 C ATOM 0 H ALA A 106 -10.936 2.089 -21.459 1.00 75.40 H new ATOM 0 HA ALA A 106 -11.718 0.521 -19.237 1.00 72.15 H new ATOM 0 HB1 ALA A 106 -9.570 1.305 -18.296 1.00 42.14 H new ATOM 0 HB2 ALA A 106 -9.395 0.768 -19.983 1.00 42.14 H new ATOM 0 HB3 ALA A 106 -9.444 2.506 -19.603 1.00 42.14 H new ATOM 1628 N GLU A 107 -12.074 3.767 -18.953 1.00 31.22 N ATOM 1629 CA GLU A 107 -12.662 4.816 -18.128 1.00 73.31 C ATOM 1630 C GLU A 107 -14.177 4.652 -18.037 1.00 23.03 C ATOM 1631 O GLU A 107 -14.758 4.756 -16.959 1.00 43.44 O ATOM 1632 CB GLU A 107 -12.321 6.195 -18.698 1.00 23.25 C ATOM 1633 CG GLU A 107 -13.071 7.334 -18.027 1.00 10.41 C ATOM 1634 CD GLU A 107 -14.286 7.776 -18.819 1.00 71.45 C ATOM 1635 OE1 GLU A 107 -15.365 7.172 -18.637 1.00 21.34 O ATOM 1636 OE2 GLU A 107 -14.160 8.726 -19.619 1.00 34.10 O ATOM 0 H GLU A 107 -11.748 4.081 -19.867 1.00 31.22 H new ATOM 0 HA GLU A 107 -12.244 4.731 -17.125 1.00 73.31 H new ATOM 0 HB2 GLU A 107 -11.249 6.366 -18.595 1.00 23.25 H new ATOM 0 HB3 GLU A 107 -12.544 6.203 -19.765 1.00 23.25 H new ATOM 0 HG2 GLU A 107 -13.385 7.021 -17.031 1.00 10.41 H new ATOM 0 HG3 GLU A 107 -12.398 8.181 -17.898 1.00 10.41 H new ATOM 1643 N ASN A 108 -14.808 4.397 -19.178 1.00 12.24 N ATOM 1644 CA ASN A 108 -16.254 4.220 -19.228 1.00 51.32 C ATOM 1645 C ASN A 108 -16.697 3.095 -18.297 1.00 35.24 C ATOM 1646 O ASN A 108 -17.719 3.203 -17.618 1.00 20.25 O ATOM 1647 CB ASN A 108 -16.703 3.918 -20.660 1.00 63.32 C ATOM 1648 CG ASN A 108 -16.951 5.179 -21.466 1.00 41.35 C ATOM 1649 OD1 ASN A 108 -16.427 5.337 -22.567 1.00 32.35 O ATOM 1650 ND2 ASN A 108 -17.755 6.083 -20.917 1.00 4.04 N ATOM 0 H ASN A 108 -14.341 4.308 -20.080 1.00 12.24 H new ATOM 0 HA ASN A 108 -16.720 5.148 -18.896 1.00 51.32 H new ATOM 0 HB2 ASN A 108 -15.942 3.316 -21.157 1.00 63.32 H new ATOM 0 HB3 ASN A 108 -17.615 3.321 -20.634 1.00 63.32 H new ATOM 0 HD21 ASN A 108 -17.960 6.951 -21.412 1.00 4.04 H new ATOM 0 HD22 ASN A 108 -18.168 5.909 -20.001 1.00 4.04 H new ATOM 1657 N MET A 109 -15.922 2.016 -18.271 1.00 64.44 N ATOM 1658 CA MET A 109 -16.233 0.872 -17.421 1.00 62.43 C ATOM 1659 C MET A 109 -16.001 1.208 -15.951 1.00 31.43 C ATOM 1660 O MET A 109 -16.783 0.816 -15.084 1.00 34.12 O ATOM 1661 CB MET A 109 -15.381 -0.334 -17.821 1.00 71.14 C ATOM 1662 CG MET A 109 -15.837 -1.637 -17.186 1.00 61.23 C ATOM 1663 SD MET A 109 -14.481 -2.555 -16.432 1.00 22.55 S ATOM 1664 CE MET A 109 -14.496 -1.879 -14.773 1.00 4.34 C ATOM 0 H MET A 109 -15.074 1.909 -18.828 1.00 64.44 H new ATOM 0 HA MET A 109 -17.286 0.625 -17.557 1.00 62.43 H new ATOM 0 HB2 MET A 109 -15.403 -0.441 -18.906 1.00 71.14 H new ATOM 0 HB3 MET A 109 -14.345 -0.146 -17.540 1.00 71.14 H new ATOM 0 HG2 MET A 109 -16.591 -1.423 -16.429 1.00 61.23 H new ATOM 0 HG3 MET A 109 -16.314 -2.258 -17.944 1.00 61.23 H new ATOM 0 HE1 MET A 109 -13.722 -2.362 -14.176 1.00 4.34 H new ATOM 0 HE2 MET A 109 -14.306 -0.807 -14.815 1.00 4.34 H new ATOM 0 HE3 MET A 109 -15.470 -2.057 -14.316 1.00 4.34 H new ATOM 1674 N TYR A 110 -14.923 1.935 -15.677 1.00 53.21 N ATOM 1675 CA TYR A 110 -14.588 2.320 -14.312 1.00 4.13 C ATOM 1676 C TYR A 110 -15.745 3.066 -13.656 1.00 54.24 C ATOM 1677 O TYR A 110 -16.053 2.853 -12.483 1.00 5.54 O ATOM 1678 CB TYR A 110 -13.332 3.194 -14.300 1.00 11.42 C ATOM 1679 CG TYR A 110 -12.885 3.592 -12.912 1.00 20.41 C ATOM 1680 CD1 TYR A 110 -12.899 4.923 -12.511 1.00 34.42 C ATOM 1681 CD2 TYR A 110 -12.447 2.639 -12.001 1.00 51.41 C ATOM 1682 CE1 TYR A 110 -12.491 5.292 -11.244 1.00 41.10 C ATOM 1683 CE2 TYR A 110 -12.038 2.999 -10.732 1.00 50.14 C ATOM 1684 CZ TYR A 110 -12.061 4.326 -10.358 1.00 51.15 C ATOM 1685 OH TYR A 110 -11.654 4.689 -9.095 1.00 43.14 O ATOM 0 H TYR A 110 -14.267 2.269 -16.383 1.00 53.21 H new ATOM 0 HA TYR A 110 -14.396 1.411 -13.742 1.00 4.13 H new ATOM 0 HB2 TYR A 110 -12.522 2.658 -14.794 1.00 11.42 H new ATOM 0 HB3 TYR A 110 -13.521 4.095 -14.884 1.00 11.42 H new ATOM 0 HD1 TYR A 110 -13.235 5.682 -13.202 1.00 34.42 H new ATOM 0 HD2 TYR A 110 -12.426 1.599 -12.290 1.00 51.41 H new ATOM 0 HE1 TYR A 110 -12.509 6.331 -10.949 1.00 41.10 H new ATOM 0 HE2 TYR A 110 -11.702 2.245 -10.036 1.00 50.14 H new ATOM 0 HH TYR A 110 -10.868 4.162 -8.841 1.00 43.14 H new ATOM 1695 N SER A 111 -16.387 3.942 -14.423 1.00 11.02 N ATOM 1696 CA SER A 111 -17.510 4.723 -13.917 1.00 35.04 C ATOM 1697 C SER A 111 -18.821 3.963 -14.090 1.00 35.22 C ATOM 1698 O SER A 111 -19.750 4.120 -13.299 1.00 41.44 O ATOM 1699 CB SER A 111 -17.588 6.070 -14.640 1.00 71.14 C ATOM 1700 OG SER A 111 -18.075 5.912 -15.961 1.00 74.24 O ATOM 0 H SER A 111 -16.149 4.129 -15.397 1.00 11.02 H new ATOM 0 HA SER A 111 -17.350 4.898 -12.853 1.00 35.04 H new ATOM 0 HB2 SER A 111 -18.240 6.746 -14.087 1.00 71.14 H new ATOM 0 HB3 SER A 111 -16.600 6.530 -14.666 1.00 71.14 H new ATOM 0 HG SER A 111 -18.117 6.787 -16.401 1.00 74.24 H new ATOM 1706 N GLN A 112 -18.889 3.141 -15.132 1.00 72.42 N ATOM 1707 CA GLN A 112 -20.086 2.358 -15.410 1.00 12.44 C ATOM 1708 C GLN A 112 -20.418 1.436 -14.241 1.00 11.31 C ATOM 1709 O GLN A 112 -21.582 1.122 -13.997 1.00 43.55 O ATOM 1710 CB GLN A 112 -19.899 1.535 -16.686 1.00 5.41 C ATOM 1711 CG GLN A 112 -21.051 0.585 -16.973 1.00 61.31 C ATOM 1712 CD GLN A 112 -21.021 0.042 -18.388 1.00 5.14 C ATOM 1713 OE1 GLN A 112 -21.284 0.766 -19.348 1.00 15.43 O ATOM 1714 NE2 GLN A 112 -20.699 -1.240 -18.524 1.00 64.32 N ATOM 0 H GLN A 112 -18.129 3.000 -15.797 1.00 72.42 H new ATOM 0 HA GLN A 112 -20.916 3.050 -15.551 1.00 12.44 H new ATOM 0 HB2 GLN A 112 -19.779 2.213 -17.531 1.00 5.41 H new ATOM 0 HB3 GLN A 112 -18.977 0.960 -16.605 1.00 5.41 H new ATOM 0 HG2 GLN A 112 -21.016 -0.246 -16.268 1.00 61.31 H new ATOM 0 HG3 GLN A 112 -21.995 1.104 -16.807 1.00 61.31 H new ATOM 0 HE21 GLN A 112 -20.488 -1.803 -17.700 1.00 64.32 H new ATOM 0 HE22 GLN A 112 -20.662 -1.661 -19.452 1.00 64.32 H new ATOM 1723 N MET A 113 -19.386 1.006 -13.522 1.00 41.02 N ATOM 1724 CA MET A 113 -19.568 0.121 -12.377 1.00 10.33 C ATOM 1725 C MET A 113 -19.896 0.919 -11.120 1.00 64.03 C ATOM 1726 O MET A 113 -20.476 0.392 -10.172 1.00 14.43 O ATOM 1727 CB MET A 113 -18.310 -0.718 -12.149 1.00 23.14 C ATOM 1728 CG MET A 113 -18.519 -1.880 -11.192 1.00 3.33 C ATOM 1729 SD MET A 113 -17.703 -3.391 -11.744 1.00 61.41 S ATOM 1730 CE MET A 113 -16.455 -3.585 -10.474 1.00 61.41 C ATOM 0 H MET A 113 -18.415 1.256 -13.712 1.00 41.02 H new ATOM 0 HA MET A 113 -20.405 -0.543 -12.592 1.00 10.33 H new ATOM 0 HB2 MET A 113 -17.963 -1.105 -13.107 1.00 23.14 H new ATOM 0 HB3 MET A 113 -17.520 -0.075 -11.760 1.00 23.14 H new ATOM 0 HG2 MET A 113 -18.141 -1.607 -10.207 1.00 3.33 H new ATOM 0 HG3 MET A 113 -19.587 -2.068 -11.083 1.00 3.33 H new ATOM 0 HE1 MET A 113 -15.866 -4.479 -10.676 1.00 61.41 H new ATOM 0 HE2 MET A 113 -15.801 -2.713 -10.470 1.00 61.41 H new ATOM 0 HE3 MET A 113 -16.938 -3.681 -9.501 1.00 61.41 H new ATOM 1740 N GLY A 114 -19.520 2.194 -11.118 1.00 34.21 N ATOM 1741 CA GLY A 114 -19.783 3.044 -9.972 1.00 70.44 C ATOM 1742 C GLY A 114 -18.537 3.314 -9.153 1.00 61.44 C ATOM 1743 O GLY A 114 -18.615 3.531 -7.943 1.00 43.11 O ATOM 0 H GLY A 114 -19.038 2.654 -11.890 1.00 34.21 H new ATOM 0 HA2 GLY A 114 -20.202 3.991 -10.314 1.00 70.44 H new ATOM 0 HA3 GLY A 114 -20.535 2.573 -9.339 1.00 70.44 H new ATOM 1747 N LEU A 115 -17.384 3.300 -9.812 1.00 21.32 N ATOM 1748 CA LEU A 115 -16.114 3.545 -9.136 1.00 34.11 C ATOM 1749 C LEU A 115 -15.677 4.996 -9.307 1.00 23.45 C ATOM 1750 O LEU A 115 -15.207 5.629 -8.361 1.00 5.13 O ATOM 1751 CB LEU A 115 -15.035 2.608 -9.682 1.00 21.14 C ATOM 1752 CG LEU A 115 -15.468 1.165 -9.941 1.00 44.32 C ATOM 1753 CD1 LEU A 115 -14.292 0.334 -10.429 1.00 5.14 C ATOM 1754 CD2 LEU A 115 -16.068 0.554 -8.682 1.00 22.00 C ATOM 0 H LEU A 115 -17.302 3.122 -10.813 1.00 21.32 H new ATOM 0 HA LEU A 115 -16.253 3.350 -8.073 1.00 34.11 H new ATOM 0 HB2 LEU A 115 -14.657 3.026 -10.615 1.00 21.14 H new ATOM 0 HB3 LEU A 115 -14.203 2.596 -8.978 1.00 21.14 H new ATOM 0 HG LEU A 115 -16.231 1.169 -10.719 1.00 44.32 H new ATOM 0 HD11 LEU A 115 -14.620 -0.690 -10.608 1.00 5.14 H new ATOM 0 HD12 LEU A 115 -13.906 0.759 -11.356 1.00 5.14 H new ATOM 0 HD13 LEU A 115 -13.506 0.337 -9.674 1.00 5.14 H new ATOM 0 HD21 LEU A 115 -16.371 -0.473 -8.885 1.00 22.00 H new ATOM 0 HD22 LEU A 115 -15.326 0.563 -7.884 1.00 22.00 H new ATOM 0 HD23 LEU A 115 -16.938 1.135 -8.375 1.00 22.00 H new ATOM 1766 N ASP A 116 -15.837 5.519 -10.518 1.00 41.40 N ATOM 1767 CA ASP A 116 -15.462 6.896 -10.812 1.00 21.52 C ATOM 1768 C ASP A 116 -16.178 7.866 -9.877 1.00 2.14 C ATOM 1769 O ASP A 116 -15.543 8.664 -9.187 1.00 41.01 O ATOM 1770 CB ASP A 116 -15.788 7.237 -12.267 1.00 32.54 C ATOM 1771 CG ASP A 116 -15.313 8.623 -12.659 1.00 44.45 C ATOM 1772 OD1 ASP A 116 -15.604 9.052 -13.794 1.00 53.33 O ATOM 1773 OD2 ASP A 116 -14.650 9.279 -11.827 1.00 13.33 O ATOM 0 H ASP A 116 -16.224 5.009 -11.312 1.00 41.40 H new ATOM 0 HA ASP A 116 -14.388 6.995 -10.656 1.00 21.52 H new ATOM 0 HB2 ASP A 116 -15.325 6.499 -12.922 1.00 32.54 H new ATOM 0 HB3 ASP A 116 -16.865 7.169 -12.420 1.00 32.54 H new ATOM 1778 N THR A 117 -17.506 7.792 -9.859 1.00 20.44 N ATOM 1779 CA THR A 117 -18.308 8.664 -9.012 1.00 51.25 C ATOM 1780 C THR A 117 -18.375 8.133 -7.584 1.00 21.24 C ATOM 1781 O THR A 117 -17.808 7.084 -7.275 1.00 63.54 O ATOM 1782 CB THR A 117 -19.741 8.814 -9.558 1.00 61.41 C ATOM 1783 OG1 THR A 117 -19.807 8.324 -10.902 1.00 44.42 O ATOM 1784 CG2 THR A 117 -20.183 10.269 -9.522 1.00 63.52 C ATOM 0 H THR A 117 -18.048 7.136 -10.422 1.00 20.44 H new ATOM 0 HA THR A 117 -17.822 9.640 -9.013 1.00 51.25 H new ATOM 0 HB THR A 117 -20.410 8.231 -8.926 1.00 61.41 H new ATOM 0 HG1 THR A 117 -20.721 8.421 -11.241 1.00 44.42 H new ATOM 0 HG21 THR A 117 -21.198 10.351 -9.912 1.00 63.52 H new ATOM 0 HG22 THR A 117 -20.159 10.631 -8.494 1.00 63.52 H new ATOM 0 HG23 THR A 117 -19.510 10.869 -10.134 1.00 63.52 H new ATOM 1792 N ARG A 118 -19.069 8.864 -6.718 1.00 50.53 N ATOM 1793 CA ARG A 118 -19.208 8.466 -5.321 1.00 15.14 C ATOM 1794 C ARG A 118 -20.168 7.288 -5.185 1.00 20.32 C ATOM 1795 O ARG A 118 -20.977 7.009 -6.071 1.00 4.41 O ATOM 1796 CB ARG A 118 -19.706 9.643 -4.481 1.00 34.31 C ATOM 1797 CG ARG A 118 -18.595 10.391 -3.761 1.00 14.41 C ATOM 1798 CD ARG A 118 -19.147 11.280 -2.658 1.00 43.34 C ATOM 1799 NE ARG A 118 -19.325 10.550 -1.404 1.00 31.21 N ATOM 1800 CZ ARG A 118 -19.893 11.074 -0.324 1.00 41.10 C ATOM 1801 NH1 ARG A 118 -20.335 12.325 -0.343 1.00 4.53 N ATOM 1802 NH2 ARG A 118 -20.019 10.348 0.779 1.00 12.23 N ATOM 0 H ARG A 118 -19.544 9.734 -6.958 1.00 50.53 H new ATOM 0 HA ARG A 118 -18.228 8.158 -4.957 1.00 15.14 H new ATOM 0 HB2 ARG A 118 -20.241 10.339 -5.127 1.00 34.31 H new ATOM 0 HB3 ARG A 118 -20.422 9.276 -3.745 1.00 34.31 H new ATOM 0 HG2 ARG A 118 -17.890 9.677 -3.336 1.00 14.41 H new ATOM 0 HG3 ARG A 118 -18.041 10.998 -4.476 1.00 14.41 H new ATOM 0 HD2 ARG A 118 -18.471 12.119 -2.496 1.00 43.34 H new ATOM 0 HD3 ARG A 118 -20.103 11.698 -2.973 1.00 43.34 H new ATOM 0 HE ARG A 118 -18.995 9.586 -1.356 1.00 31.21 H new ATOM 0 HH11 ARG A 118 -20.239 12.887 -1.189 1.00 4.53 H new ATOM 0 HH12 ARG A 118 -20.771 12.725 0.488 1.00 4.53 H new ATOM 0 HH21 ARG A 118 -19.679 9.386 0.798 1.00 12.23 H new ATOM 0 HH22 ARG A 118 -20.455 10.751 1.608 1.00 12.23 H new ATOM 1816 N PRO A 119 -20.079 6.580 -4.050 1.00 31.24 N ATOM 1817 CA PRO A 119 -20.931 5.421 -3.771 1.00 42.24 C ATOM 1818 C PRO A 119 -22.383 5.815 -3.525 1.00 61.21 C ATOM 1819 O PRO A 119 -23.284 5.385 -4.245 1.00 35.35 O ATOM 1820 CB PRO A 119 -20.316 4.826 -2.500 1.00 32.54 C ATOM 1821 CG PRO A 119 -19.631 5.972 -1.840 1.00 4.52 C ATOM 1822 CD PRO A 119 -19.138 6.857 -2.951 1.00 2.24 C ATOM 0 HA PRO A 119 -20.963 4.727 -4.611 1.00 42.24 H new ATOM 0 HB2 PRO A 119 -21.081 4.396 -1.853 1.00 32.54 H new ATOM 0 HB3 PRO A 119 -19.613 4.027 -2.737 1.00 32.54 H new ATOM 0 HG2 PRO A 119 -20.316 6.512 -1.186 1.00 4.52 H new ATOM 0 HG3 PRO A 119 -18.804 5.627 -1.220 1.00 4.52 H new ATOM 0 HD2 PRO A 119 -19.153 7.908 -2.664 1.00 2.24 H new ATOM 0 HD3 PRO A 119 -18.112 6.618 -3.230 1.00 2.24 H new TER 1830 PRO A 119