USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1061 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 113 CYS SG : rot 94:sc= -2.01! USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0.0719 USER MOD Set 2.1: A 78 THR OG1 : rot 134:sc= 0.533 USER MOD Set 2.2: A 79 MET CE :methyl 156:sc= -0.205 (180deg=-0.989) USER MOD Set 2.3: A 89 HIS : no HE2:sc= -0.756 K(o=-0.43,f=-1.3) USER MOD Set 3.1: A 31 HIS : no HD1:sc= -5.7! C(o=-9!,f=-5.8!) USER MOD Set 3.2: A 33 GLN : amide:sc= -3.3! K(o=-9!,f=-4.6) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 65:sc= 0.212 USER MOD Single : A 25 SER OG : rot -19:sc= 0.494 USER MOD Single : A 28 HIS : no HD1:sc= -0.355 K(o=-0.36,f=-1.5) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -160:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-0.69) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -159:sc= 0.328 USER MOD Single : A 87 THR OG1 : rot 98:sc= 0.449 USER MOD Single : A 88 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 102 HIS : no HD1:sc= -2.02! K(o=-2!,f=-1.4) USER MOD Single : A 103 CYS SG : rot -76:sc= -2.54! USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.793 USER MOD Single : A 108 THR OG1 : rot -18:sc= -0.454 USER MOD Single : A 110 MET CE :methyl 171:sc= 0 (180deg=-0.0558) USER MOD Single : A 117 THR OG1 : rot 94:sc= 0.0729 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.62) USER MOD Single : A 141 TYR OH : rot 30:sc= -0.0991 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -1.657 13.801 10.309 1.00 65.12 N ATOM 21 CA ALA A 2 -2.062 13.480 8.920 1.00 3.34 C ATOM 22 C ALA A 2 -1.760 11.993 8.616 1.00 12.23 C ATOM 23 O ALA A 2 -0.659 11.636 8.172 1.00 74.54 O ATOM 24 CB ALA A 2 -1.371 14.434 7.928 1.00 24.13 C ATOM 0 HA ALA A 2 -3.136 13.626 8.807 1.00 3.34 H new ATOM 0 HB1 ALA A 2 -1.678 14.187 6.912 1.00 24.13 H new ATOM 0 HB2 ALA A 2 -1.656 15.462 8.153 1.00 24.13 H new ATOM 0 HB3 ALA A 2 -0.290 14.330 8.016 1.00 24.13 H new ATOM 30 N THR A 3 -2.745 11.127 8.910 1.00 62.53 N ATOM 31 CA THR A 3 -2.613 9.656 8.776 1.00 2.23 C ATOM 32 C THR A 3 -3.833 9.082 8.018 1.00 14.45 C ATOM 33 O THR A 3 -4.978 9.244 8.444 1.00 0.12 O ATOM 34 CB THR A 3 -2.466 8.964 10.181 1.00 11.31 C ATOM 35 OG1 THR A 3 -1.350 9.540 10.887 1.00 35.10 O ATOM 36 CG2 THR A 3 -2.253 7.437 10.063 1.00 30.31 C ATOM 0 H THR A 3 -3.660 11.423 9.249 1.00 62.53 H new ATOM 0 HA THR A 3 -1.708 9.447 8.206 1.00 2.23 H new ATOM 0 HB THR A 3 -3.395 9.132 10.725 1.00 11.31 H new ATOM 0 HG1 THR A 3 -1.260 9.110 11.763 1.00 35.10 H new ATOM 0 HG21 THR A 3 -2.157 7.005 11.059 1.00 30.31 H new ATOM 0 HG22 THR A 3 -3.106 6.989 9.554 1.00 30.31 H new ATOM 0 HG23 THR A 3 -1.345 7.239 9.493 1.00 30.31 H new ATOM 44 N LEU A 4 -3.558 8.417 6.891 1.00 73.04 N ATOM 45 CA LEU A 4 -4.578 7.877 5.962 1.00 3.14 C ATOM 46 C LEU A 4 -4.735 6.363 6.175 1.00 1.24 C ATOM 47 O LEU A 4 -3.834 5.603 5.847 1.00 62.33 O ATOM 48 CB LEU A 4 -4.172 8.172 4.477 1.00 73.04 C ATOM 49 CG LEU A 4 -4.483 9.601 3.921 1.00 12.04 C ATOM 50 CD1 LEU A 4 -3.830 10.724 4.756 1.00 35.32 C ATOM 51 CD2 LEU A 4 -4.062 9.702 2.443 1.00 31.31 C ATOM 0 H LEU A 4 -2.603 8.231 6.585 1.00 73.04 H new ATOM 0 HA LEU A 4 -5.531 8.365 6.167 1.00 3.14 H new ATOM 0 HB2 LEU A 4 -3.101 7.997 4.379 1.00 73.04 H new ATOM 0 HB3 LEU A 4 -4.674 7.445 3.839 1.00 73.04 H new ATOM 0 HG LEU A 4 -5.561 9.746 3.998 1.00 12.04 H new ATOM 0 HD11 LEU A 4 -4.081 11.692 4.323 1.00 35.32 H new ATOM 0 HD12 LEU A 4 -4.200 10.678 5.780 1.00 35.32 H new ATOM 0 HD13 LEU A 4 -2.748 10.595 4.755 1.00 35.32 H new ATOM 0 HD21 LEU A 4 -4.284 10.701 2.069 1.00 31.31 H new ATOM 0 HD22 LEU A 4 -2.992 9.511 2.355 1.00 31.31 H new ATOM 0 HD23 LEU A 4 -4.611 8.965 1.857 1.00 31.31 H new ATOM 63 N ARG A 5 -5.886 5.933 6.702 1.00 33.33 N ATOM 64 CA ARG A 5 -6.202 4.501 6.904 1.00 2.22 C ATOM 65 C ARG A 5 -7.209 4.056 5.823 1.00 20.51 C ATOM 66 O ARG A 5 -8.310 4.614 5.728 1.00 70.41 O ATOM 67 CB ARG A 5 -6.785 4.259 8.328 1.00 13.14 C ATOM 68 CG ARG A 5 -7.150 2.782 8.634 1.00 14.44 C ATOM 69 CD ARG A 5 -5.919 1.857 8.764 1.00 73.24 C ATOM 70 NE ARG A 5 -5.045 2.197 9.911 1.00 22.45 N ATOM 71 CZ ARG A 5 -3.971 1.512 10.282 1.00 22.44 C ATOM 72 NH1 ARG A 5 -3.565 0.484 9.610 1.00 71.45 N ATOM 73 NH2 ARG A 5 -3.292 1.885 11.315 1.00 44.35 N ATOM 0 H ARG A 5 -6.630 6.562 7.003 1.00 33.33 H new ATOM 0 HA ARG A 5 -5.288 3.913 6.817 1.00 2.22 H new ATOM 0 HB2 ARG A 5 -6.060 4.601 9.066 1.00 13.14 H new ATOM 0 HB3 ARG A 5 -7.677 4.873 8.450 1.00 13.14 H new ATOM 0 HG2 ARG A 5 -7.724 2.742 9.560 1.00 14.44 H new ATOM 0 HG3 ARG A 5 -7.796 2.404 7.842 1.00 14.44 H new ATOM 0 HD2 ARG A 5 -6.258 0.826 8.868 1.00 73.24 H new ATOM 0 HD3 ARG A 5 -5.336 1.909 7.845 1.00 73.24 H new ATOM 0 HE ARG A 5 -5.288 3.023 10.458 1.00 22.45 H new ATOM 0 HH11 ARG A 5 -4.073 0.186 8.777 1.00 71.45 H new ATOM 0 HH12 ARG A 5 -2.737 -0.029 9.913 1.00 71.45 H new ATOM 0 HH21 ARG A 5 -3.581 2.706 11.846 1.00 44.35 H new ATOM 0 HH22 ARG A 5 -2.466 1.358 11.600 1.00 44.35 H new ATOM 87 N ARG A 6 -6.834 3.057 5.003 1.00 4.34 N ATOM 88 CA ARG A 6 -7.702 2.552 3.914 1.00 71.54 C ATOM 89 C ARG A 6 -7.751 1.007 3.959 1.00 12.14 C ATOM 90 O ARG A 6 -6.724 0.361 4.152 1.00 73.21 O ATOM 91 CB ARG A 6 -7.185 3.071 2.525 1.00 55.45 C ATOM 92 CG ARG A 6 -8.304 3.345 1.498 1.00 25.23 C ATOM 93 CD ARG A 6 -9.254 4.456 1.982 1.00 14.32 C ATOM 94 NE ARG A 6 -10.354 4.724 1.048 1.00 64.52 N ATOM 95 CZ ARG A 6 -10.765 5.917 0.678 1.00 22.54 C ATOM 96 NH1 ARG A 6 -10.111 6.996 1.021 1.00 1.20 N ATOM 97 NH2 ARG A 6 -11.820 6.013 -0.050 1.00 31.45 N ATOM 0 H ARG A 6 -5.935 2.580 5.071 1.00 4.34 H new ATOM 0 HA ARG A 6 -8.716 2.928 4.052 1.00 71.54 H new ATOM 0 HB2 ARG A 6 -6.617 3.988 2.681 1.00 55.45 H new ATOM 0 HB3 ARG A 6 -6.496 2.336 2.108 1.00 55.45 H new ATOM 0 HG2 ARG A 6 -7.862 3.633 0.544 1.00 25.23 H new ATOM 0 HG3 ARG A 6 -8.871 2.431 1.323 1.00 25.23 H new ATOM 0 HD2 ARG A 6 -9.668 4.174 2.950 1.00 14.32 H new ATOM 0 HD3 ARG A 6 -8.684 5.372 2.134 1.00 14.32 H new ATOM 0 HE ARG A 6 -10.840 3.918 0.653 1.00 64.52 H new ATOM 0 HH11 ARG A 6 -9.265 6.922 1.586 1.00 1.20 H new ATOM 0 HH12 ARG A 6 -10.447 7.912 0.724 1.00 1.20 H new ATOM 0 HH21 ARG A 6 -12.324 5.172 -0.331 1.00 31.45 H new ATOM 0 HH22 ARG A 6 -12.153 6.930 -0.346 1.00 31.45 H new ATOM 111 N SER A 7 -8.953 0.422 3.807 1.00 13.35 N ATOM 112 CA SER A 7 -9.148 -1.054 3.846 1.00 52.44 C ATOM 113 C SER A 7 -10.193 -1.537 2.807 1.00 30.11 C ATOM 114 O SER A 7 -11.019 -0.752 2.330 1.00 61.14 O ATOM 115 CB SER A 7 -9.577 -1.481 5.269 1.00 60.12 C ATOM 116 OG SER A 7 -10.825 -0.912 5.637 1.00 11.12 O ATOM 0 H SER A 7 -9.815 0.946 3.655 1.00 13.35 H new ATOM 0 HA SER A 7 -8.198 -1.521 3.587 1.00 52.44 H new ATOM 0 HB2 SER A 7 -9.645 -2.568 5.317 1.00 60.12 H new ATOM 0 HB3 SER A 7 -8.814 -1.177 5.985 1.00 60.12 H new ATOM 0 HG SER A 7 -11.064 -1.205 6.541 1.00 11.12 H new ATOM 122 N VAL A 8 -10.137 -2.843 2.463 1.00 4.42 N ATOM 123 CA VAL A 8 -11.093 -3.494 1.523 1.00 11.21 C ATOM 124 C VAL A 8 -11.329 -4.974 1.922 1.00 73.21 C ATOM 125 O VAL A 8 -10.392 -5.653 2.323 1.00 14.15 O ATOM 126 CB VAL A 8 -10.561 -3.423 0.036 1.00 44.10 C ATOM 127 CG1 VAL A 8 -9.200 -4.157 -0.122 1.00 64.35 C ATOM 128 CG2 VAL A 8 -11.608 -3.956 -0.980 1.00 32.33 C ATOM 0 H VAL A 8 -9.429 -3.481 2.827 1.00 4.42 H new ATOM 0 HA VAL A 8 -12.038 -2.953 1.583 1.00 11.21 H new ATOM 0 HB VAL A 8 -10.396 -2.370 -0.190 1.00 44.10 H new ATOM 0 HG11 VAL A 8 -8.867 -4.087 -1.157 1.00 64.35 H new ATOM 0 HG12 VAL A 8 -8.459 -3.694 0.530 1.00 64.35 H new ATOM 0 HG13 VAL A 8 -9.318 -5.206 0.150 1.00 64.35 H new ATOM 0 HG21 VAL A 8 -11.202 -3.889 -1.989 1.00 32.33 H new ATOM 0 HG22 VAL A 8 -11.841 -4.996 -0.751 1.00 32.33 H new ATOM 0 HG23 VAL A 8 -12.517 -3.357 -0.914 1.00 32.33 H new ATOM 138 N GLU A 9 -12.581 -5.473 1.803 1.00 22.51 N ATOM 139 CA GLU A 9 -12.915 -6.894 2.086 1.00 34.52 C ATOM 140 C GLU A 9 -12.992 -7.701 0.765 1.00 43.54 C ATOM 141 O GLU A 9 -13.896 -7.511 -0.060 1.00 71.34 O ATOM 142 CB GLU A 9 -14.221 -7.008 2.923 1.00 22.43 C ATOM 143 CG GLU A 9 -14.065 -6.457 4.361 1.00 32.32 C ATOM 144 CD GLU A 9 -15.313 -6.638 5.245 1.00 24.12 C ATOM 145 OE1 GLU A 9 -15.632 -7.793 5.613 1.00 62.22 O ATOM 146 OE2 GLU A 9 -15.984 -5.632 5.569 1.00 45.15 O ATOM 0 H GLU A 9 -13.382 -4.912 1.512 1.00 22.51 H new ATOM 0 HA GLU A 9 -12.118 -7.327 2.691 1.00 34.52 H new ATOM 0 HB2 GLU A 9 -15.020 -6.466 2.416 1.00 22.43 H new ATOM 0 HB3 GLU A 9 -14.526 -8.053 2.971 1.00 22.43 H new ATOM 0 HG2 GLU A 9 -13.220 -6.953 4.839 1.00 32.32 H new ATOM 0 HG3 GLU A 9 -13.822 -5.396 4.307 1.00 32.32 H new ATOM 153 N VAL A 10 -12.007 -8.598 0.600 1.00 5.32 N ATOM 154 CA VAL A 10 -11.715 -9.333 -0.646 1.00 53.04 C ATOM 155 C VAL A 10 -12.233 -10.798 -0.596 1.00 44.01 C ATOM 156 O VAL A 10 -12.219 -11.437 0.466 1.00 72.32 O ATOM 157 CB VAL A 10 -10.159 -9.318 -0.871 1.00 33.24 C ATOM 158 CG1 VAL A 10 -9.750 -10.071 -2.150 1.00 15.14 C ATOM 159 CG2 VAL A 10 -9.631 -7.861 -0.889 1.00 12.24 C ATOM 0 H VAL A 10 -11.368 -8.842 1.356 1.00 5.32 H new ATOM 0 HA VAL A 10 -12.231 -8.843 -1.472 1.00 53.04 H new ATOM 0 HB VAL A 10 -9.701 -9.846 -0.035 1.00 33.24 H new ATOM 0 HG11 VAL A 10 -8.667 -10.034 -2.263 1.00 15.14 H new ATOM 0 HG12 VAL A 10 -10.072 -11.110 -2.079 1.00 15.14 H new ATOM 0 HG13 VAL A 10 -10.222 -9.603 -3.014 1.00 15.14 H new ATOM 0 HG21 VAL A 10 -8.552 -7.867 -1.046 1.00 12.24 H new ATOM 0 HG22 VAL A 10 -10.112 -7.310 -1.697 1.00 12.24 H new ATOM 0 HG23 VAL A 10 -9.857 -7.380 0.063 1.00 12.24 H new ATOM 169 N ALA A 11 -12.687 -11.315 -1.760 1.00 65.23 N ATOM 170 CA ALA A 11 -13.096 -12.728 -1.936 1.00 23.12 C ATOM 171 C ALA A 11 -11.875 -13.681 -2.126 1.00 4.15 C ATOM 172 O ALA A 11 -11.761 -14.370 -3.150 1.00 64.43 O ATOM 173 CB ALA A 11 -14.073 -12.813 -3.132 1.00 21.54 C ATOM 0 H ALA A 11 -12.781 -10.760 -2.610 1.00 65.23 H new ATOM 0 HA ALA A 11 -13.595 -13.065 -1.028 1.00 23.12 H new ATOM 0 HB1 ALA A 11 -14.384 -13.848 -3.275 1.00 21.54 H new ATOM 0 HB2 ALA A 11 -14.949 -12.196 -2.931 1.00 21.54 H new ATOM 0 HB3 ALA A 11 -13.576 -12.456 -4.034 1.00 21.54 H new ATOM 179 N ALA A 12 -10.974 -13.719 -1.120 1.00 31.25 N ATOM 180 CA ALA A 12 -9.766 -14.583 -1.138 1.00 71.40 C ATOM 181 C ALA A 12 -9.165 -14.737 0.288 1.00 52.01 C ATOM 182 O ALA A 12 -9.182 -13.776 1.066 1.00 62.32 O ATOM 183 CB ALA A 12 -8.714 -14.024 -2.114 1.00 54.03 C ATOM 0 H ALA A 12 -11.060 -13.155 -0.274 1.00 31.25 H new ATOM 0 HA ALA A 12 -10.066 -15.572 -1.484 1.00 71.40 H new ATOM 0 HB1 ALA A 12 -7.837 -14.671 -2.113 1.00 54.03 H new ATOM 0 HB2 ALA A 12 -9.135 -13.985 -3.119 1.00 54.03 H new ATOM 0 HB3 ALA A 12 -8.425 -13.020 -1.802 1.00 54.03 H new ATOM 189 N PRO A 13 -8.654 -15.963 0.662 1.00 44.12 N ATOM 190 CA PRO A 13 -7.993 -16.201 1.983 1.00 31.24 C ATOM 191 C PRO A 13 -6.691 -15.366 2.183 1.00 21.32 C ATOM 192 O PRO A 13 -5.869 -15.247 1.264 1.00 22.44 O ATOM 193 CB PRO A 13 -7.695 -17.726 1.969 1.00 23.53 C ATOM 194 CG PRO A 13 -7.695 -18.110 0.518 1.00 12.04 C ATOM 195 CD PRO A 13 -8.712 -17.214 -0.151 1.00 12.43 C ATOM 0 HA PRO A 13 -8.628 -15.889 2.812 1.00 31.24 H new ATOM 0 HB2 PRO A 13 -6.734 -17.944 2.435 1.00 23.53 H new ATOM 0 HB3 PRO A 13 -8.452 -18.281 2.524 1.00 23.53 H new ATOM 0 HG2 PRO A 13 -6.707 -17.974 0.079 1.00 12.04 H new ATOM 0 HG3 PRO A 13 -7.958 -19.160 0.393 1.00 12.04 H new ATOM 0 HD2 PRO A 13 -8.459 -17.028 -1.195 1.00 12.43 H new ATOM 0 HD3 PRO A 13 -9.708 -17.656 -0.138 1.00 12.43 H new ATOM 203 N ALA A 14 -6.538 -14.820 3.411 1.00 45.21 N ATOM 204 CA ALA A 14 -5.474 -13.855 3.810 1.00 30.10 C ATOM 205 C ALA A 14 -4.034 -14.206 3.345 1.00 4.22 C ATOM 206 O ALA A 14 -3.316 -13.336 2.849 1.00 52.01 O ATOM 207 CB ALA A 14 -5.508 -13.673 5.343 1.00 44.12 C ATOM 0 H ALA A 14 -7.169 -15.043 4.180 1.00 45.21 H new ATOM 0 HA ALA A 14 -5.709 -12.928 3.287 1.00 30.10 H new ATOM 0 HB1 ALA A 14 -4.732 -12.968 5.643 1.00 44.12 H new ATOM 0 HB2 ALA A 14 -6.483 -13.289 5.642 1.00 44.12 H new ATOM 0 HB3 ALA A 14 -5.333 -14.634 5.827 1.00 44.12 H new ATOM 213 N ALA A 15 -3.618 -15.471 3.529 1.00 53.44 N ATOM 214 CA ALA A 15 -2.240 -15.919 3.194 1.00 55.41 C ATOM 215 C ALA A 15 -1.953 -15.869 1.671 1.00 2.41 C ATOM 216 O ALA A 15 -0.844 -15.499 1.254 1.00 72.20 O ATOM 217 CB ALA A 15 -1.993 -17.328 3.752 1.00 0.01 C ATOM 0 H ALA A 15 -4.212 -16.208 3.908 1.00 53.44 H new ATOM 0 HA ALA A 15 -1.547 -15.221 3.664 1.00 55.41 H new ATOM 0 HB1 ALA A 15 -0.981 -17.646 3.501 1.00 0.01 H new ATOM 0 HB2 ALA A 15 -2.112 -17.316 4.835 1.00 0.01 H new ATOM 0 HB3 ALA A 15 -2.711 -18.023 3.316 1.00 0.01 H new ATOM 223 N ASP A 16 -2.938 -16.283 0.845 1.00 24.52 N ATOM 224 CA ASP A 16 -2.843 -16.172 -0.637 1.00 44.31 C ATOM 225 C ASP A 16 -2.892 -14.700 -1.126 1.00 33.23 C ATOM 226 O ASP A 16 -2.308 -14.366 -2.162 1.00 25.23 O ATOM 227 CB ASP A 16 -3.946 -17.020 -1.321 1.00 21.24 C ATOM 228 CG ASP A 16 -3.763 -18.531 -1.090 1.00 21.00 C ATOM 229 OD1 ASP A 16 -2.673 -19.060 -1.401 1.00 65.04 O ATOM 230 OD2 ASP A 16 -4.689 -19.193 -0.581 1.00 50.35 O ATOM 0 H ASP A 16 -3.810 -16.698 1.174 1.00 24.52 H new ATOM 0 HA ASP A 16 -1.869 -16.567 -0.925 1.00 44.31 H new ATOM 0 HB2 ASP A 16 -4.921 -16.714 -0.942 1.00 21.24 H new ATOM 0 HB3 ASP A 16 -3.943 -16.817 -2.392 1.00 21.24 H new ATOM 235 N VAL A 17 -3.597 -13.834 -0.387 1.00 54.11 N ATOM 236 CA VAL A 17 -3.607 -12.372 -0.652 1.00 11.14 C ATOM 237 C VAL A 17 -2.237 -11.738 -0.283 1.00 34.23 C ATOM 238 O VAL A 17 -1.776 -10.802 -0.938 1.00 64.30 O ATOM 239 CB VAL A 17 -4.769 -11.657 0.123 1.00 45.11 C ATOM 240 CG1 VAL A 17 -4.768 -10.130 -0.131 1.00 23.23 C ATOM 241 CG2 VAL A 17 -6.135 -12.281 -0.248 1.00 42.45 C ATOM 0 H VAL A 17 -4.174 -14.114 0.406 1.00 54.11 H new ATOM 0 HA VAL A 17 -3.780 -12.231 -1.719 1.00 11.14 H new ATOM 0 HB VAL A 17 -4.601 -11.808 1.189 1.00 45.11 H new ATOM 0 HG11 VAL A 17 -5.586 -9.669 0.422 1.00 23.23 H new ATOM 0 HG12 VAL A 17 -3.821 -9.706 0.202 1.00 23.23 H new ATOM 0 HG13 VAL A 17 -4.896 -9.938 -1.196 1.00 23.23 H new ATOM 0 HG21 VAL A 17 -6.928 -11.772 0.299 1.00 42.45 H new ATOM 0 HG22 VAL A 17 -6.306 -12.172 -1.319 1.00 42.45 H new ATOM 0 HG23 VAL A 17 -6.135 -13.339 0.014 1.00 42.45 H new ATOM 251 N TRP A 18 -1.602 -12.258 0.785 1.00 34.11 N ATOM 252 CA TRP A 18 -0.233 -11.850 1.182 1.00 52.52 C ATOM 253 C TRP A 18 0.820 -12.304 0.129 1.00 12.23 C ATOM 254 O TRP A 18 1.874 -11.698 -0.002 1.00 0.23 O ATOM 255 CB TRP A 18 0.114 -12.377 2.607 1.00 73.14 C ATOM 256 CG TRP A 18 1.508 -11.984 3.083 1.00 23.41 C ATOM 257 CD1 TRP A 18 2.576 -12.816 3.283 1.00 74.01 C ATOM 258 CD2 TRP A 18 1.988 -10.652 3.373 1.00 50.42 C ATOM 259 NE1 TRP A 18 3.668 -12.096 3.684 1.00 30.25 N ATOM 260 CE2 TRP A 18 3.338 -10.769 3.748 1.00 40.02 C ATOM 261 CE3 TRP A 18 1.408 -9.375 3.354 1.00 64.45 C ATOM 262 CZ2 TRP A 18 4.117 -9.666 4.098 1.00 74.40 C ATOM 263 CZ3 TRP A 18 2.181 -8.279 3.701 1.00 64.42 C ATOM 264 CH2 TRP A 18 3.527 -8.432 4.068 1.00 4.20 C ATOM 0 H TRP A 18 -2.015 -12.965 1.393 1.00 34.11 H new ATOM 0 HA TRP A 18 -0.204 -10.761 1.218 1.00 52.52 H new ATOM 0 HB2 TRP A 18 -0.623 -11.997 3.315 1.00 73.14 H new ATOM 0 HB3 TRP A 18 0.031 -13.464 2.613 1.00 73.14 H new ATOM 0 HD1 TRP A 18 2.559 -13.887 3.144 1.00 74.01 H new ATOM 0 HE1 TRP A 18 4.585 -12.487 3.901 1.00 30.25 H new ATOM 0 HE3 TRP A 18 0.373 -9.248 3.073 1.00 64.45 H new ATOM 0 HZ2 TRP A 18 5.152 -9.782 4.383 1.00 74.40 H new ATOM 0 HZ3 TRP A 18 1.742 -7.293 3.689 1.00 64.42 H new ATOM 0 HH2 TRP A 18 4.107 -7.560 4.331 1.00 4.20 H new ATOM 275 N THR A 19 0.535 -13.395 -0.603 1.00 33.43 N ATOM 276 CA THR A 19 1.363 -13.818 -1.771 1.00 63.42 C ATOM 277 C THR A 19 1.325 -12.753 -2.918 1.00 53.10 C ATOM 278 O THR A 19 2.262 -12.638 -3.722 1.00 35.44 O ATOM 279 CB THR A 19 0.870 -15.210 -2.302 1.00 44.14 C ATOM 280 OG1 THR A 19 0.802 -16.148 -1.209 1.00 54.51 O ATOM 281 CG2 THR A 19 1.777 -15.790 -3.404 1.00 2.33 C ATOM 0 H THR A 19 -0.259 -14.006 -0.415 1.00 33.43 H new ATOM 0 HA THR A 19 2.397 -13.907 -1.437 1.00 63.42 H new ATOM 0 HB THR A 19 -0.115 -15.049 -2.741 1.00 44.14 H new ATOM 0 HG1 THR A 19 0.114 -15.860 -0.574 1.00 54.51 H new ATOM 0 HG21 THR A 19 1.384 -16.753 -3.730 1.00 2.33 H new ATOM 0 HG22 THR A 19 1.805 -15.104 -4.251 1.00 2.33 H new ATOM 0 HG23 THR A 19 2.785 -15.924 -3.012 1.00 2.33 H new ATOM 289 N LEU A 20 0.226 -11.983 -2.959 1.00 32.53 N ATOM 290 CA LEU A 20 -0.002 -10.898 -3.942 1.00 31.53 C ATOM 291 C LEU A 20 0.662 -9.548 -3.508 1.00 11.53 C ATOM 292 O LEU A 20 1.480 -8.986 -4.251 1.00 4.14 O ATOM 293 CB LEU A 20 -1.538 -10.748 -4.127 1.00 41.14 C ATOM 294 CG LEU A 20 -2.046 -9.657 -5.115 1.00 12.31 C ATOM 295 CD1 LEU A 20 -1.491 -9.866 -6.532 1.00 21.42 C ATOM 296 CD2 LEU A 20 -3.585 -9.616 -5.138 1.00 34.42 C ATOM 0 H LEU A 20 -0.546 -12.094 -2.301 1.00 32.53 H new ATOM 0 HA LEU A 20 0.471 -11.159 -4.889 1.00 31.53 H new ATOM 0 HB2 LEU A 20 -1.931 -11.709 -4.458 1.00 41.14 H new ATOM 0 HB3 LEU A 20 -1.975 -10.545 -3.149 1.00 41.14 H new ATOM 0 HG LEU A 20 -1.676 -8.697 -4.756 1.00 12.31 H new ATOM 0 HD11 LEU A 20 -1.870 -9.084 -7.190 1.00 21.42 H new ATOM 0 HD12 LEU A 20 -0.402 -9.823 -6.506 1.00 21.42 H new ATOM 0 HD13 LEU A 20 -1.807 -10.840 -6.907 1.00 21.42 H new ATOM 0 HD21 LEU A 20 -3.918 -8.847 -5.835 1.00 34.42 H new ATOM 0 HD22 LEU A 20 -3.970 -10.585 -5.456 1.00 34.42 H new ATOM 0 HD23 LEU A 20 -3.958 -9.387 -4.140 1.00 34.42 H new ATOM 308 N VAL A 21 0.304 -9.043 -2.306 1.00 70.24 N ATOM 309 CA VAL A 21 0.797 -7.723 -1.780 1.00 70.04 C ATOM 310 C VAL A 21 2.148 -7.816 -1.034 1.00 12.32 C ATOM 311 O VAL A 21 2.844 -6.806 -0.893 1.00 63.31 O ATOM 312 CB VAL A 21 -0.242 -7.042 -0.807 1.00 41.23 C ATOM 313 CG1 VAL A 21 -1.522 -6.638 -1.552 1.00 74.53 C ATOM 314 CG2 VAL A 21 -0.570 -7.945 0.409 1.00 71.52 C ATOM 0 H VAL A 21 -0.329 -9.525 -1.668 1.00 70.24 H new ATOM 0 HA VAL A 21 0.931 -7.118 -2.676 1.00 70.04 H new ATOM 0 HB VAL A 21 0.225 -6.135 -0.424 1.00 41.23 H new ATOM 0 HG11 VAL A 21 -2.217 -6.172 -0.854 1.00 74.53 H new ATOM 0 HG12 VAL A 21 -1.274 -5.931 -2.344 1.00 74.53 H new ATOM 0 HG13 VAL A 21 -1.984 -7.524 -1.988 1.00 74.53 H new ATOM 0 HG21 VAL A 21 -1.289 -7.440 1.054 1.00 71.52 H new ATOM 0 HG22 VAL A 21 -0.995 -8.886 0.059 1.00 71.52 H new ATOM 0 HG23 VAL A 21 0.343 -8.146 0.970 1.00 71.52 H new ATOM 324 N GLY A 22 2.487 -9.023 -0.554 1.00 3.14 N ATOM 325 CA GLY A 22 3.633 -9.230 0.339 1.00 1.52 C ATOM 326 C GLY A 22 4.973 -8.921 -0.293 1.00 71.54 C ATOM 327 O GLY A 22 5.778 -8.182 0.280 1.00 30.44 O ATOM 0 H GLY A 22 1.976 -9.878 -0.774 1.00 3.14 H new ATOM 0 HA2 GLY A 22 3.508 -8.605 1.224 1.00 1.52 H new ATOM 0 HA3 GLY A 22 3.633 -10.266 0.678 1.00 1.52 H new ATOM 331 N ASP A 23 5.218 -9.486 -1.484 1.00 2.00 N ATOM 332 CA ASP A 23 6.460 -9.234 -2.228 1.00 51.23 C ATOM 333 C ASP A 23 6.470 -7.767 -2.720 1.00 4.22 C ATOM 334 O ASP A 23 5.515 -7.298 -3.350 1.00 21.22 O ATOM 335 CB ASP A 23 6.633 -10.244 -3.386 1.00 33.52 C ATOM 336 CG ASP A 23 7.890 -9.960 -4.235 1.00 42.15 C ATOM 337 OD1 ASP A 23 9.010 -10.264 -3.780 1.00 44.45 O ATOM 338 OD2 ASP A 23 7.765 -9.407 -5.343 1.00 15.21 O ATOM 0 H ASP A 23 4.572 -10.121 -1.953 1.00 2.00 H new ATOM 0 HA ASP A 23 7.315 -9.379 -1.568 1.00 51.23 H new ATOM 0 HB2 ASP A 23 6.695 -11.253 -2.978 1.00 33.52 H new ATOM 0 HB3 ASP A 23 5.751 -10.212 -4.026 1.00 33.52 H new ATOM 343 N PHE A 24 7.564 -7.070 -2.407 1.00 20.22 N ATOM 344 CA PHE A 24 7.696 -5.605 -2.570 1.00 4.11 C ATOM 345 C PHE A 24 7.582 -5.158 -4.059 1.00 31.11 C ATOM 346 O PHE A 24 7.093 -4.062 -4.352 1.00 60.03 O ATOM 347 CB PHE A 24 9.055 -5.200 -1.941 1.00 55.14 C ATOM 348 CG PHE A 24 9.312 -3.713 -1.738 1.00 13.13 C ATOM 349 CD1 PHE A 24 8.364 -2.897 -1.131 1.00 2.25 C ATOM 350 CD2 PHE A 24 10.532 -3.140 -2.112 1.00 74.12 C ATOM 351 CE1 PHE A 24 8.622 -1.561 -0.915 1.00 23.44 C ATOM 352 CE2 PHE A 24 10.783 -1.801 -1.898 1.00 55.32 C ATOM 353 CZ PHE A 24 9.829 -1.012 -1.298 1.00 61.45 C ATOM 0 H PHE A 24 8.403 -7.508 -2.026 1.00 20.22 H new ATOM 0 HA PHE A 24 6.875 -5.097 -2.064 1.00 4.11 H new ATOM 0 HB2 PHE A 24 9.139 -5.693 -0.972 1.00 55.14 H new ATOM 0 HB3 PHE A 24 9.851 -5.597 -2.571 1.00 55.14 H new ATOM 0 HD1 PHE A 24 7.416 -3.315 -0.826 1.00 2.25 H new ATOM 0 HD2 PHE A 24 11.289 -3.756 -2.575 1.00 74.12 H new ATOM 0 HE1 PHE A 24 7.875 -0.940 -0.443 1.00 23.44 H new ATOM 0 HE2 PHE A 24 11.727 -1.372 -2.201 1.00 55.32 H new ATOM 0 HZ PHE A 24 10.024 0.036 -1.127 1.00 61.45 H new ATOM 363 N SER A 25 8.001 -6.036 -4.994 1.00 55.32 N ATOM 364 CA SER A 25 7.960 -5.760 -6.459 1.00 20.34 C ATOM 365 C SER A 25 6.733 -6.408 -7.150 1.00 51.35 C ATOM 366 O SER A 25 6.539 -6.243 -8.357 1.00 14.14 O ATOM 367 CB SER A 25 9.259 -6.266 -7.127 1.00 71.01 C ATOM 368 OG SER A 25 9.364 -7.680 -7.125 1.00 41.34 O ATOM 0 H SER A 25 8.377 -6.956 -4.763 1.00 55.32 H new ATOM 0 HA SER A 25 7.872 -4.680 -6.580 1.00 20.34 H new ATOM 0 HB2 SER A 25 9.298 -5.905 -8.155 1.00 71.01 H new ATOM 0 HB3 SER A 25 10.118 -5.842 -6.607 1.00 71.01 H new ATOM 0 HG SER A 25 8.760 -8.052 -6.449 1.00 41.34 H new ATOM 374 N ALA A 26 5.876 -7.099 -6.375 1.00 62.12 N ATOM 375 CA ALA A 26 4.714 -7.872 -6.923 1.00 30.12 C ATOM 376 C ALA A 26 3.441 -7.006 -7.015 1.00 72.53 C ATOM 377 O ALA A 26 2.351 -7.501 -7.318 1.00 1.41 O ATOM 378 CB ALA A 26 4.450 -9.113 -6.058 1.00 44.12 C ATOM 0 H ALA A 26 5.956 -7.146 -5.359 1.00 62.12 H new ATOM 0 HA ALA A 26 4.973 -8.185 -7.935 1.00 30.12 H new ATOM 0 HB1 ALA A 26 3.604 -9.667 -6.465 1.00 44.12 H new ATOM 0 HB2 ALA A 26 5.334 -9.750 -6.057 1.00 44.12 H new ATOM 0 HB3 ALA A 26 4.224 -8.804 -5.037 1.00 44.12 H new ATOM 384 N ILE A 27 3.615 -5.708 -6.782 1.00 21.41 N ATOM 385 CA ILE A 27 2.533 -4.722 -6.717 1.00 54.11 C ATOM 386 C ILE A 27 1.806 -4.518 -8.079 1.00 4.12 C ATOM 387 O ILE A 27 0.611 -4.252 -8.106 1.00 72.33 O ATOM 388 CB ILE A 27 3.106 -3.368 -6.185 1.00 72.42 C ATOM 389 CG1 ILE A 27 1.956 -2.340 -5.932 1.00 51.02 C ATOM 390 CG2 ILE A 27 4.171 -2.828 -7.170 1.00 72.03 C ATOM 391 CD1 ILE A 27 2.321 -1.130 -5.095 1.00 65.35 C ATOM 0 H ILE A 27 4.537 -5.299 -6.629 1.00 21.41 H new ATOM 0 HA ILE A 27 1.777 -5.106 -6.032 1.00 54.11 H new ATOM 0 HB ILE A 27 3.594 -3.534 -5.225 1.00 72.42 H new ATOM 0 HG12 ILE A 27 1.587 -1.992 -6.897 1.00 51.02 H new ATOM 0 HG13 ILE A 27 1.131 -2.860 -5.444 1.00 51.02 H new ATOM 0 HG21 ILE A 27 4.568 -1.884 -6.796 1.00 72.03 H new ATOM 0 HG22 ILE A 27 4.981 -3.551 -7.262 1.00 72.03 H new ATOM 0 HG23 ILE A 27 3.715 -2.668 -8.147 1.00 72.03 H new ATOM 0 HD11 ILE A 27 1.448 -0.487 -4.985 1.00 65.35 H new ATOM 0 HD12 ILE A 27 2.658 -1.456 -4.111 1.00 65.35 H new ATOM 0 HD13 ILE A 27 3.120 -0.575 -5.586 1.00 65.35 H new ATOM 403 N HIS A 28 2.535 -4.687 -9.204 1.00 61.24 N ATOM 404 CA HIS A 28 1.960 -4.562 -10.576 1.00 73.32 C ATOM 405 C HIS A 28 0.912 -5.680 -10.896 1.00 4.32 C ATOM 406 O HIS A 28 0.230 -5.621 -11.916 1.00 15.01 O ATOM 407 CB HIS A 28 3.099 -4.547 -11.635 1.00 72.23 C ATOM 408 CG HIS A 28 4.100 -5.669 -11.496 1.00 71.44 C ATOM 409 ND1 HIS A 28 3.766 -7.004 -11.570 1.00 72.12 N ATOM 410 CD2 HIS A 28 5.433 -5.642 -11.243 1.00 5.43 C ATOM 411 CE1 HIS A 28 4.835 -7.739 -11.361 1.00 45.12 C ATOM 412 NE2 HIS A 28 5.857 -6.944 -11.160 1.00 12.34 N ATOM 0 H HIS A 28 3.530 -4.912 -9.196 1.00 61.24 H new ATOM 0 HA HIS A 28 1.422 -3.615 -10.617 1.00 73.32 H new ATOM 0 HB2 HIS A 28 2.654 -4.595 -12.629 1.00 72.23 H new ATOM 0 HB3 HIS A 28 3.627 -3.596 -11.568 1.00 72.23 H new ATOM 0 HD2 HIS A 28 6.046 -4.760 -11.128 1.00 5.43 H new ATOM 0 HE1 HIS A 28 4.866 -8.819 -11.356 1.00 45.12 H new ATOM 0 HE2 HIS A 28 6.813 -7.245 -10.972 1.00 12.34 H new ATOM 421 N ARG A 29 0.810 -6.695 -10.011 1.00 22.20 N ATOM 422 CA ARG A 29 -0.153 -7.819 -10.145 1.00 40.33 C ATOM 423 C ARG A 29 -1.563 -7.461 -9.587 1.00 14.41 C ATOM 424 O ARG A 29 -2.532 -8.182 -9.854 1.00 32.10 O ATOM 425 CB ARG A 29 0.426 -9.063 -9.413 1.00 21.03 C ATOM 426 CG ARG A 29 1.769 -9.576 -9.985 1.00 22.31 C ATOM 427 CD ARG A 29 2.534 -10.510 -9.017 1.00 70.10 C ATOM 428 NE ARG A 29 1.798 -11.740 -8.665 1.00 74.12 N ATOM 429 CZ ARG A 29 2.062 -12.520 -7.624 1.00 4.21 C ATOM 430 NH1 ARG A 29 2.954 -12.195 -6.740 1.00 15.22 N ATOM 431 NH2 ARG A 29 1.407 -13.625 -7.480 1.00 4.22 N ATOM 0 H ARG A 29 1.395 -6.762 -9.178 1.00 22.20 H new ATOM 0 HA ARG A 29 -0.286 -8.034 -11.205 1.00 40.33 H new ATOM 0 HB2 ARG A 29 0.564 -8.818 -8.360 1.00 21.03 H new ATOM 0 HB3 ARG A 29 -0.306 -9.869 -9.459 1.00 21.03 H new ATOM 0 HG2 ARG A 29 1.579 -10.108 -10.917 1.00 22.31 H new ATOM 0 HG3 ARG A 29 2.401 -8.722 -10.229 1.00 22.31 H new ATOM 0 HD2 ARG A 29 3.486 -10.785 -9.470 1.00 70.10 H new ATOM 0 HD3 ARG A 29 2.763 -9.961 -8.103 1.00 70.10 H new ATOM 0 HE ARG A 29 1.024 -12.013 -9.271 1.00 74.12 H new ATOM 0 HH11 ARG A 29 3.472 -11.322 -6.836 1.00 15.22 H new ATOM 0 HH12 ARG A 29 3.137 -12.813 -5.949 1.00 15.22 H new ATOM 0 HH21 ARG A 29 0.696 -13.889 -8.162 1.00 4.22 H new ATOM 0 HH22 ARG A 29 1.601 -14.233 -6.684 1.00 4.22 H new ATOM 445 N TRP A 30 -1.672 -6.361 -8.798 1.00 53.22 N ATOM 446 CA TRP A 30 -2.975 -5.888 -8.237 1.00 72.32 C ATOM 447 C TRP A 30 -3.220 -4.378 -8.481 1.00 65.23 C ATOM 448 O TRP A 30 -4.344 -3.973 -8.804 1.00 63.31 O ATOM 449 CB TRP A 30 -3.089 -6.212 -6.721 1.00 54.51 C ATOM 450 CG TRP A 30 -2.011 -5.623 -5.832 1.00 41.21 C ATOM 451 CD1 TRP A 30 -0.756 -6.120 -5.622 1.00 24.44 C ATOM 452 CD2 TRP A 30 -2.110 -4.446 -5.003 1.00 4.24 C ATOM 453 NE1 TRP A 30 -0.075 -5.326 -4.742 1.00 43.51 N ATOM 454 CE2 TRP A 30 -0.883 -4.296 -4.346 1.00 21.41 C ATOM 455 CE3 TRP A 30 -3.119 -3.509 -4.761 1.00 41.23 C ATOM 456 CZ2 TRP A 30 -0.629 -3.250 -3.463 1.00 61.12 C ATOM 457 CZ3 TRP A 30 -2.870 -2.469 -3.883 1.00 3.11 C ATOM 458 CH2 TRP A 30 -1.630 -2.347 -3.243 1.00 14.22 C ATOM 0 H TRP A 30 -0.876 -5.781 -8.533 1.00 53.22 H new ATOM 0 HA TRP A 30 -3.751 -6.434 -8.774 1.00 72.32 H new ATOM 0 HB2 TRP A 30 -4.057 -5.859 -6.366 1.00 54.51 H new ATOM 0 HB3 TRP A 30 -3.080 -7.295 -6.600 1.00 54.51 H new ATOM 0 HD1 TRP A 30 -0.359 -7.012 -6.085 1.00 24.44 H new ATOM 0 HE1 TRP A 30 0.884 -5.478 -4.430 1.00 43.51 H new ATOM 0 HE3 TRP A 30 -4.077 -3.596 -5.251 1.00 41.23 H new ATOM 0 HZ2 TRP A 30 0.327 -3.156 -2.969 1.00 61.12 H new ATOM 0 HZ3 TRP A 30 -3.643 -1.741 -3.688 1.00 3.11 H new ATOM 0 HH2 TRP A 30 -1.462 -1.524 -2.564 1.00 14.22 H new ATOM 469 N HIS A 31 -2.166 -3.553 -8.327 1.00 1.13 N ATOM 470 CA HIS A 31 -2.274 -2.082 -8.414 1.00 61.33 C ATOM 471 C HIS A 31 -2.159 -1.613 -9.894 1.00 70.31 C ATOM 472 O HIS A 31 -1.082 -1.732 -10.488 1.00 54.11 O ATOM 473 CB HIS A 31 -1.189 -1.394 -7.553 1.00 24.51 C ATOM 474 CG HIS A 31 -1.500 0.050 -7.267 1.00 43.35 C ATOM 475 ND1 HIS A 31 -1.039 1.074 -8.055 1.00 20.42 N ATOM 476 CD2 HIS A 31 -2.267 0.566 -6.286 1.00 4.42 C ATOM 477 CE1 HIS A 31 -1.538 2.175 -7.529 1.00 24.33 C ATOM 478 NE2 HIS A 31 -2.286 1.917 -6.459 1.00 74.15 N ATOM 0 H HIS A 31 -1.220 -3.885 -8.140 1.00 1.13 H new ATOM 0 HA HIS A 31 -3.252 -1.794 -8.028 1.00 61.33 H new ATOM 0 HB2 HIS A 31 -1.084 -1.932 -6.611 1.00 24.51 H new ATOM 0 HB3 HIS A 31 -0.229 -1.460 -8.066 1.00 24.51 H new ATOM 0 HD2 HIS A 31 -2.772 0.012 -5.508 1.00 4.42 H new ATOM 0 HE1 HIS A 31 -1.361 3.166 -7.919 1.00 24.33 H new ATOM 0 HE2 HIS A 31 -2.778 2.598 -5.881 1.00 74.15 H new ATOM 486 N PRO A 32 -3.256 -1.050 -10.501 1.00 13.53 N ATOM 487 CA PRO A 32 -3.314 -0.738 -11.967 1.00 53.34 C ATOM 488 C PRO A 32 -2.416 0.454 -12.410 1.00 33.04 C ATOM 489 O PRO A 32 -2.097 0.589 -13.597 1.00 53.14 O ATOM 490 CB PRO A 32 -4.818 -0.406 -12.176 1.00 10.32 C ATOM 491 CG PRO A 32 -5.266 0.134 -10.854 1.00 1.01 C ATOM 492 CD PRO A 32 -4.525 -0.669 -9.813 1.00 34.51 C ATOM 0 HA PRO A 32 -2.936 -1.566 -12.566 1.00 53.34 H new ATOM 0 HB2 PRO A 32 -4.957 0.326 -12.972 1.00 10.32 H new ATOM 0 HB3 PRO A 32 -5.386 -1.293 -12.456 1.00 10.32 H new ATOM 0 HG2 PRO A 32 -5.036 1.196 -10.766 1.00 1.01 H new ATOM 0 HG3 PRO A 32 -6.344 0.031 -10.734 1.00 1.01 H new ATOM 0 HD2 PRO A 32 -4.333 -0.082 -8.915 1.00 34.51 H new ATOM 0 HD3 PRO A 32 -5.093 -1.547 -9.505 1.00 34.51 H new ATOM 500 N GLN A 33 -2.013 1.300 -11.452 1.00 43.13 N ATOM 501 CA GLN A 33 -1.294 2.570 -11.738 1.00 11.05 C ATOM 502 C GLN A 33 0.244 2.420 -11.657 1.00 23.13 C ATOM 503 O GLN A 33 0.971 3.325 -12.091 1.00 13.10 O ATOM 504 CB GLN A 33 -1.803 3.665 -10.767 1.00 54.01 C ATOM 505 CG GLN A 33 -3.244 4.168 -11.057 1.00 60.53 C ATOM 506 CD GLN A 33 -4.008 4.650 -9.818 1.00 4.14 C ATOM 507 OE1 GLN A 33 -4.777 5.604 -9.874 1.00 64.34 O ATOM 508 NE2 GLN A 33 -3.880 3.926 -8.719 1.00 22.42 N ATOM 0 H GLN A 33 -2.171 1.133 -10.458 1.00 43.13 H new ATOM 0 HA GLN A 33 -1.509 2.858 -12.767 1.00 11.05 H new ATOM 0 HB2 GLN A 33 -1.766 3.275 -9.750 1.00 54.01 H new ATOM 0 HB3 GLN A 33 -1.121 4.514 -10.808 1.00 54.01 H new ATOM 0 HG2 GLN A 33 -3.193 4.984 -11.778 1.00 60.53 H new ATOM 0 HG3 GLN A 33 -3.809 3.363 -11.527 1.00 60.53 H new ATOM 0 HE21 GLN A 33 -3.233 3.138 -8.700 1.00 22.42 H new ATOM 0 HE22 GLN A 33 -4.428 4.156 -7.890 1.00 22.42 H new ATOM 517 N VAL A 34 0.737 1.299 -11.095 1.00 62.12 N ATOM 518 CA VAL A 34 2.185 0.992 -11.097 1.00 33.14 C ATOM 519 C VAL A 34 2.642 0.570 -12.516 1.00 1.14 C ATOM 520 O VAL A 34 2.236 -0.478 -13.032 1.00 74.15 O ATOM 521 CB VAL A 34 2.559 -0.120 -10.049 1.00 14.43 C ATOM 522 CG1 VAL A 34 4.070 -0.486 -10.112 1.00 1.50 C ATOM 523 CG2 VAL A 34 2.160 0.322 -8.623 1.00 60.30 C ATOM 0 H VAL A 34 0.160 0.594 -10.636 1.00 62.12 H new ATOM 0 HA VAL A 34 2.710 1.901 -10.804 1.00 33.14 H new ATOM 0 HB VAL A 34 1.996 -1.018 -10.305 1.00 14.43 H new ATOM 0 HG11 VAL A 34 4.289 -1.257 -9.373 1.00 1.50 H new ATOM 0 HG12 VAL A 34 4.313 -0.858 -11.107 1.00 1.50 H new ATOM 0 HG13 VAL A 34 4.668 0.400 -9.899 1.00 1.50 H new ATOM 0 HG21 VAL A 34 2.426 -0.460 -7.912 1.00 60.30 H new ATOM 0 HG22 VAL A 34 2.687 1.241 -8.366 1.00 60.30 H new ATOM 0 HG23 VAL A 34 1.085 0.497 -8.584 1.00 60.30 H new ATOM 533 N SER A 35 3.504 1.406 -13.121 1.00 4.31 N ATOM 534 CA SER A 35 4.033 1.215 -14.494 1.00 34.45 C ATOM 535 C SER A 35 5.383 0.447 -14.486 1.00 33.41 C ATOM 536 O SER A 35 6.270 0.715 -15.314 1.00 53.15 O ATOM 537 CB SER A 35 4.203 2.607 -15.150 1.00 63.31 C ATOM 538 OG SER A 35 2.979 3.336 -15.152 1.00 12.41 O ATOM 0 H SER A 35 3.861 2.247 -12.668 1.00 4.31 H new ATOM 0 HA SER A 35 3.329 0.612 -15.067 1.00 34.45 H new ATOM 0 HB2 SER A 35 4.964 3.173 -14.613 1.00 63.31 H new ATOM 0 HB3 SER A 35 4.558 2.487 -16.174 1.00 63.31 H new ATOM 0 HG SER A 35 3.120 4.211 -15.571 1.00 12.41 H new ATOM 544 N ALA A 36 5.492 -0.518 -13.545 1.00 62.22 N ATOM 545 CA ALA A 36 6.680 -1.385 -13.328 1.00 41.32 C ATOM 546 C ALA A 36 7.896 -0.597 -12.737 1.00 11.23 C ATOM 547 O ALA A 36 8.414 0.327 -13.374 1.00 1.21 O ATOM 548 CB ALA A 36 7.069 -2.159 -14.601 1.00 44.02 C ATOM 0 H ALA A 36 4.734 -0.724 -12.894 1.00 62.22 H new ATOM 0 HA ALA A 36 6.389 -2.121 -12.578 1.00 41.32 H new ATOM 0 HB1 ALA A 36 7.942 -2.780 -14.397 1.00 44.02 H new ATOM 0 HB2 ALA A 36 6.237 -2.792 -14.910 1.00 44.02 H new ATOM 0 HB3 ALA A 36 7.304 -1.454 -15.398 1.00 44.02 H new ATOM 554 N PRO A 37 8.340 -0.922 -11.478 1.00 61.00 N ATOM 555 CA PRO A 37 9.523 -0.291 -10.841 1.00 51.24 C ATOM 556 C PRO A 37 10.855 -1.094 -10.997 1.00 43.22 C ATOM 557 O PRO A 37 10.876 -2.189 -11.569 1.00 32.02 O ATOM 558 CB PRO A 37 9.059 -0.248 -9.375 1.00 51.30 C ATOM 559 CG PRO A 37 8.304 -1.543 -9.190 1.00 52.01 C ATOM 560 CD PRO A 37 7.690 -1.881 -10.544 1.00 55.24 C ATOM 0 HA PRO A 37 9.783 0.669 -11.288 1.00 51.24 H new ATOM 0 HB2 PRO A 37 9.905 -0.178 -8.691 1.00 51.30 H new ATOM 0 HB3 PRO A 37 8.422 0.616 -9.183 1.00 51.30 H new ATOM 0 HG2 PRO A 37 8.972 -2.338 -8.857 1.00 52.01 H new ATOM 0 HG3 PRO A 37 7.531 -1.437 -8.429 1.00 52.01 H new ATOM 0 HD2 PRO A 37 7.891 -2.914 -10.828 1.00 55.24 H new ATOM 0 HD3 PRO A 37 6.607 -1.758 -10.534 1.00 55.24 H new ATOM 568 N THR A 38 11.957 -0.524 -10.464 1.00 14.24 N ATOM 569 CA THR A 38 13.314 -1.143 -10.477 1.00 24.31 C ATOM 570 C THR A 38 13.821 -1.361 -9.036 1.00 13.33 C ATOM 571 O THR A 38 13.771 -0.443 -8.223 1.00 52.43 O ATOM 572 CB THR A 38 14.340 -0.235 -11.245 1.00 23.21 C ATOM 573 OG1 THR A 38 13.893 -0.038 -12.589 1.00 12.10 O ATOM 574 CG2 THR A 38 15.769 -0.831 -11.264 1.00 24.35 C ATOM 0 H THR A 38 11.937 0.387 -10.007 1.00 14.24 H new ATOM 0 HA THR A 38 13.233 -2.102 -10.988 1.00 24.31 H new ATOM 0 HB THR A 38 14.389 0.715 -10.712 1.00 23.21 H new ATOM 0 HG1 THR A 38 14.648 0.242 -13.147 1.00 12.10 H new ATOM 0 HG21 THR A 38 16.435 -0.161 -11.808 1.00 24.35 H new ATOM 0 HG22 THR A 38 16.128 -0.948 -10.241 1.00 24.35 H new ATOM 0 HG23 THR A 38 15.751 -1.803 -11.756 1.00 24.35 H new ATOM 582 N LEU A 39 14.341 -2.565 -8.736 1.00 14.34 N ATOM 583 CA LEU A 39 14.800 -2.932 -7.372 1.00 30.12 C ATOM 584 C LEU A 39 16.326 -2.748 -7.222 1.00 2.41 C ATOM 585 O LEU A 39 17.108 -3.103 -8.109 1.00 73.43 O ATOM 586 CB LEU A 39 14.346 -4.384 -7.000 1.00 42.43 C ATOM 587 CG LEU A 39 12.928 -4.500 -6.347 1.00 61.54 C ATOM 588 CD1 LEU A 39 12.915 -3.857 -4.943 1.00 43.43 C ATOM 589 CD2 LEU A 39 11.833 -3.886 -7.249 1.00 24.03 C ATOM 0 H LEU A 39 14.457 -3.310 -9.423 1.00 14.34 H new ATOM 0 HA LEU A 39 14.328 -2.251 -6.664 1.00 30.12 H new ATOM 0 HB2 LEU A 39 14.362 -4.994 -7.903 1.00 42.43 H new ATOM 0 HB3 LEU A 39 15.078 -4.811 -6.315 1.00 42.43 H new ATOM 0 HG LEU A 39 12.702 -5.561 -6.238 1.00 61.54 H new ATOM 0 HD11 LEU A 39 11.919 -3.950 -4.509 1.00 43.43 H new ATOM 0 HD12 LEU A 39 13.638 -4.364 -4.304 1.00 43.43 H new ATOM 0 HD13 LEU A 39 13.179 -2.802 -5.023 1.00 43.43 H new ATOM 0 HD21 LEU A 39 10.863 -3.985 -6.762 1.00 24.03 H new ATOM 0 HD22 LEU A 39 12.049 -2.831 -7.416 1.00 24.03 H new ATOM 0 HD23 LEU A 39 11.814 -4.408 -8.205 1.00 24.03 H new ATOM 601 N ARG A 40 16.719 -2.163 -6.078 1.00 65.14 N ATOM 602 CA ARG A 40 18.113 -1.817 -5.754 1.00 13.44 C ATOM 603 C ARG A 40 18.552 -2.523 -4.446 1.00 3.12 C ATOM 604 O ARG A 40 17.763 -2.617 -3.506 1.00 62.21 O ATOM 605 CB ARG A 40 18.236 -0.276 -5.574 1.00 4.12 C ATOM 606 CG ARG A 40 17.843 0.580 -6.804 1.00 2.14 C ATOM 607 CD ARG A 40 18.738 0.315 -8.030 1.00 20.44 C ATOM 608 NE ARG A 40 18.564 1.329 -9.092 1.00 11.32 N ATOM 609 CZ ARG A 40 19.404 1.533 -10.087 1.00 51.41 C ATOM 610 NH1 ARG A 40 20.457 0.792 -10.245 1.00 4.34 N ATOM 611 NH2 ARG A 40 19.174 2.483 -10.926 1.00 64.32 N ATOM 0 H ARG A 40 16.063 -1.912 -5.338 1.00 65.14 H new ATOM 0 HA ARG A 40 18.757 -2.147 -6.569 1.00 13.44 H new ATOM 0 HB2 ARG A 40 17.612 0.023 -4.732 1.00 4.12 H new ATOM 0 HB3 ARG A 40 19.266 -0.042 -5.306 1.00 4.12 H new ATOM 0 HG2 ARG A 40 16.805 0.374 -7.067 1.00 2.14 H new ATOM 0 HG3 ARG A 40 17.902 1.636 -6.539 1.00 2.14 H new ATOM 0 HD2 ARG A 40 19.782 0.299 -7.716 1.00 20.44 H new ATOM 0 HD3 ARG A 40 18.511 -0.672 -8.434 1.00 20.44 H new ATOM 0 HE ARG A 40 17.730 1.915 -9.052 1.00 11.32 H new ATOM 0 HH11 ARG A 40 20.649 0.033 -9.592 1.00 4.34 H new ATOM 0 HH12 ARG A 40 21.093 0.969 -11.023 1.00 4.34 H new ATOM 0 HH21 ARG A 40 18.347 3.070 -10.817 1.00 64.32 H new ATOM 0 HH22 ARG A 40 19.819 2.648 -11.699 1.00 64.32 H new ATOM 625 N GLY A 41 19.837 -2.918 -4.399 1.00 42.11 N ATOM 626 CA GLY A 41 20.474 -3.619 -3.263 1.00 30.32 C ATOM 627 C GLY A 41 19.736 -4.855 -2.673 1.00 5.14 C ATOM 628 O GLY A 41 18.617 -4.762 -2.152 1.00 11.20 O ATOM 0 H GLY A 41 20.482 -2.755 -5.172 1.00 42.11 H new ATOM 0 HA2 GLY A 41 21.466 -3.940 -3.580 1.00 30.32 H new ATOM 0 HA3 GLY A 41 20.615 -2.897 -2.459 1.00 30.32 H new ATOM 632 N ALA A 42 20.432 -6.011 -2.734 1.00 60.53 N ATOM 633 CA ALA A 42 20.014 -7.301 -2.141 1.00 72.32 C ATOM 634 C ALA A 42 18.715 -7.892 -2.778 1.00 31.31 C ATOM 635 O ALA A 42 18.776 -8.525 -3.843 1.00 50.41 O ATOM 636 CB ALA A 42 19.927 -7.218 -0.596 1.00 21.32 C ATOM 0 H ALA A 42 21.330 -6.074 -3.213 1.00 60.53 H new ATOM 0 HA ALA A 42 20.802 -8.013 -2.387 1.00 72.32 H new ATOM 0 HB1 ALA A 42 19.617 -8.184 -0.197 1.00 21.32 H new ATOM 0 HB2 ALA A 42 20.904 -6.954 -0.190 1.00 21.32 H new ATOM 0 HB3 ALA A 42 19.199 -6.458 -0.313 1.00 21.32 H new ATOM 642 N SER A 43 17.542 -7.653 -2.150 1.00 44.54 N ATOM 643 CA SER A 43 16.275 -8.366 -2.483 1.00 5.31 C ATOM 644 C SER A 43 15.026 -7.567 -2.022 1.00 62.42 C ATOM 645 O SER A 43 15.100 -6.848 -1.027 1.00 53.31 O ATOM 646 CB SER A 43 16.256 -9.766 -1.802 1.00 5.14 C ATOM 647 OG SER A 43 17.209 -10.648 -2.375 1.00 22.11 O ATOM 0 H SER A 43 17.440 -6.967 -1.402 1.00 44.54 H new ATOM 0 HA SER A 43 16.238 -8.472 -3.567 1.00 5.31 H new ATOM 0 HB2 SER A 43 16.460 -9.654 -0.737 1.00 5.14 H new ATOM 0 HB3 SER A 43 15.260 -10.200 -1.892 1.00 5.14 H new ATOM 0 HG SER A 43 17.168 -11.515 -1.920 1.00 22.11 H new ATOM 653 N PRO A 44 13.843 -7.707 -2.724 1.00 62.20 N ATOM 654 CA PRO A 44 12.558 -7.062 -2.300 1.00 71.31 C ATOM 655 C PRO A 44 12.006 -7.575 -0.928 1.00 14.42 C ATOM 656 O PRO A 44 11.087 -6.984 -0.363 1.00 4.51 O ATOM 657 CB PRO A 44 11.587 -7.405 -3.473 1.00 74.22 C ATOM 658 CG PRO A 44 12.173 -8.628 -4.105 1.00 1.54 C ATOM 659 CD PRO A 44 13.671 -8.455 -4.004 1.00 4.11 C ATOM 0 HA PRO A 44 12.686 -5.993 -2.127 1.00 71.31 H new ATOM 0 HB2 PRO A 44 10.577 -7.593 -3.109 1.00 74.22 H new ATOM 0 HB3 PRO A 44 11.521 -6.583 -4.186 1.00 74.22 H new ATOM 0 HG2 PRO A 44 11.846 -9.531 -3.590 1.00 1.54 H new ATOM 0 HG3 PRO A 44 11.858 -8.722 -5.144 1.00 1.54 H new ATOM 0 HD2 PRO A 44 14.186 -9.415 -3.982 1.00 4.11 H new ATOM 0 HD3 PRO A 44 14.070 -7.899 -4.852 1.00 4.11 H new ATOM 667 N HIS A 45 12.563 -8.687 -0.407 1.00 62.34 N ATOM 668 CA HIS A 45 12.206 -9.212 0.941 1.00 30.22 C ATOM 669 C HIS A 45 13.221 -8.754 2.021 1.00 72.44 C ATOM 670 O HIS A 45 13.014 -9.004 3.216 1.00 71.21 O ATOM 671 CB HIS A 45 12.109 -10.754 0.905 1.00 73.44 C ATOM 672 CG HIS A 45 11.013 -11.276 0.010 1.00 71.33 C ATOM 673 ND1 HIS A 45 9.768 -11.630 0.475 1.00 51.52 N ATOM 674 CD2 HIS A 45 10.983 -11.500 -1.324 1.00 10.52 C ATOM 675 CE1 HIS A 45 9.023 -12.047 -0.528 1.00 63.34 C ATOM 676 NE2 HIS A 45 9.733 -11.978 -1.627 1.00 23.12 N ATOM 0 H HIS A 45 13.264 -9.245 -0.895 1.00 62.34 H new ATOM 0 HA HIS A 45 11.233 -8.802 1.212 1.00 30.22 H new ATOM 0 HB2 HIS A 45 13.063 -11.161 0.570 1.00 73.44 H new ATOM 0 HB3 HIS A 45 11.944 -11.122 1.918 1.00 73.44 H new ATOM 0 HD2 HIS A 45 11.792 -11.334 -2.020 1.00 10.52 H new ATOM 0 HE1 HIS A 45 8.001 -12.388 -0.457 1.00 63.34 H new ATOM 0 HE2 HIS A 45 9.409 -12.238 -2.558 1.00 23.12 H new ATOM 685 N THR A 46 14.306 -8.078 1.595 1.00 40.42 N ATOM 686 CA THR A 46 15.371 -7.572 2.498 1.00 11.32 C ATOM 687 C THR A 46 15.134 -6.071 2.845 1.00 4.13 C ATOM 688 O THR A 46 15.208 -5.219 1.946 1.00 34.03 O ATOM 689 CB THR A 46 16.790 -7.741 1.841 1.00 71.12 C ATOM 690 OG1 THR A 46 17.013 -9.118 1.487 1.00 54.14 O ATOM 691 CG2 THR A 46 17.926 -7.279 2.771 1.00 1.44 C ATOM 0 H THR A 46 14.474 -7.864 0.612 1.00 40.42 H new ATOM 0 HA THR A 46 15.333 -8.160 3.415 1.00 11.32 H new ATOM 0 HB THR A 46 16.800 -7.111 0.951 1.00 71.12 H new ATOM 0 HG1 THR A 46 17.898 -9.211 1.077 1.00 54.14 H new ATOM 0 HG21 THR A 46 18.885 -7.416 2.271 1.00 1.44 H new ATOM 0 HG22 THR A 46 17.791 -6.225 3.014 1.00 1.44 H new ATOM 0 HG23 THR A 46 17.908 -7.868 3.688 1.00 1.44 H new ATOM 699 N PRO A 47 14.830 -5.723 4.153 1.00 43.04 N ATOM 700 CA PRO A 47 14.610 -4.309 4.597 1.00 10.55 C ATOM 701 C PRO A 47 15.813 -3.378 4.269 1.00 52.35 C ATOM 702 O PRO A 47 16.921 -3.561 4.789 1.00 33.12 O ATOM 703 CB PRO A 47 14.370 -4.436 6.134 1.00 43.55 C ATOM 704 CG PRO A 47 14.902 -5.791 6.499 1.00 51.10 C ATOM 705 CD PRO A 47 14.660 -6.667 5.292 1.00 22.12 C ATOM 0 HA PRO A 47 13.774 -3.843 4.076 1.00 10.55 H new ATOM 0 HB2 PRO A 47 14.888 -3.648 6.681 1.00 43.55 H new ATOM 0 HB3 PRO A 47 13.311 -4.349 6.377 1.00 43.55 H new ATOM 0 HG2 PRO A 47 15.964 -5.742 6.740 1.00 51.10 H new ATOM 0 HG3 PRO A 47 14.393 -6.187 7.378 1.00 51.10 H new ATOM 0 HD2 PRO A 47 15.371 -7.491 5.243 1.00 22.12 H new ATOM 0 HD3 PRO A 47 13.663 -7.107 5.306 1.00 22.12 H new ATOM 713 N GLY A 48 15.572 -2.396 3.378 1.00 63.25 N ATOM 714 CA GLY A 48 16.624 -1.497 2.870 1.00 73.33 C ATOM 715 C GLY A 48 16.588 -1.353 1.348 1.00 1.54 C ATOM 716 O GLY A 48 17.069 -0.353 0.804 1.00 5.25 O ATOM 0 H GLY A 48 14.647 -2.205 2.993 1.00 63.25 H new ATOM 0 HA2 GLY A 48 16.509 -0.514 3.327 1.00 73.33 H new ATOM 0 HA3 GLY A 48 17.600 -1.877 3.173 1.00 73.33 H new ATOM 720 N ALA A 49 16.010 -2.366 0.662 1.00 13.31 N ATOM 721 CA ALA A 49 15.917 -2.402 -0.820 1.00 41.51 C ATOM 722 C ALA A 49 15.070 -1.237 -1.382 1.00 43.42 C ATOM 723 O ALA A 49 13.978 -0.972 -0.897 1.00 24.21 O ATOM 724 CB ALA A 49 15.333 -3.744 -1.278 1.00 33.11 C ATOM 0 H ALA A 49 15.596 -3.180 1.116 1.00 13.31 H new ATOM 0 HA ALA A 49 16.928 -2.288 -1.212 1.00 41.51 H new ATOM 0 HB1 ALA A 49 15.269 -3.761 -2.366 1.00 33.11 H new ATOM 0 HB2 ALA A 49 15.977 -4.556 -0.940 1.00 33.11 H new ATOM 0 HB3 ALA A 49 14.337 -3.871 -0.854 1.00 33.11 H new ATOM 730 N GLU A 50 15.576 -0.567 -2.427 1.00 2.12 N ATOM 731 CA GLU A 50 14.934 0.642 -2.998 1.00 13.32 C ATOM 732 C GLU A 50 14.198 0.302 -4.310 1.00 65.11 C ATOM 733 O GLU A 50 14.704 -0.447 -5.142 1.00 0.02 O ATOM 734 CB GLU A 50 15.996 1.754 -3.210 1.00 43.14 C ATOM 735 CG GLU A 50 16.709 2.173 -1.908 1.00 51.53 C ATOM 736 CD GLU A 50 17.730 3.302 -2.099 1.00 25.03 C ATOM 737 OE1 GLU A 50 17.356 4.493 -1.984 1.00 41.12 O ATOM 738 OE2 GLU A 50 18.916 3.006 -2.352 1.00 31.32 O ATOM 0 H GLU A 50 16.436 -0.840 -2.903 1.00 2.12 H new ATOM 0 HA GLU A 50 14.188 1.014 -2.296 1.00 13.32 H new ATOM 0 HB2 GLU A 50 16.739 1.405 -3.927 1.00 43.14 H new ATOM 0 HB3 GLU A 50 15.515 2.627 -3.650 1.00 43.14 H new ATOM 0 HG2 GLU A 50 15.961 2.490 -1.181 1.00 51.53 H new ATOM 0 HG3 GLU A 50 17.215 1.305 -1.486 1.00 51.53 H new ATOM 745 N ARG A 51 13.001 0.874 -4.483 1.00 74.25 N ATOM 746 CA ARG A 51 12.064 0.528 -5.576 1.00 43.45 C ATOM 747 C ARG A 51 11.667 1.796 -6.383 1.00 40.23 C ATOM 748 O ARG A 51 10.893 2.624 -5.921 1.00 2.45 O ATOM 749 CB ARG A 51 10.844 -0.187 -4.931 1.00 62.33 C ATOM 750 CG ARG A 51 9.670 -0.487 -5.871 1.00 10.41 C ATOM 751 CD ARG A 51 8.582 -1.386 -5.231 1.00 71.02 C ATOM 752 NE ARG A 51 7.273 -1.178 -5.868 1.00 33.33 N ATOM 753 CZ ARG A 51 6.297 -0.451 -5.362 1.00 55.30 C ATOM 754 NH1 ARG A 51 6.316 -0.063 -4.140 1.00 30.13 N ATOM 755 NH2 ARG A 51 5.285 -0.139 -6.081 1.00 13.33 N ATOM 0 H ARG A 51 12.644 1.601 -3.863 1.00 74.25 H new ATOM 0 HA ARG A 51 12.528 -0.143 -6.298 1.00 43.45 H new ATOM 0 HB2 ARG A 51 11.186 -1.126 -4.497 1.00 62.33 H new ATOM 0 HB3 ARG A 51 10.478 0.429 -4.110 1.00 62.33 H new ATOM 0 HG2 ARG A 51 9.216 0.453 -6.184 1.00 10.41 H new ATOM 0 HG3 ARG A 51 10.049 -0.973 -6.770 1.00 10.41 H new ATOM 0 HD2 ARG A 51 8.872 -2.433 -5.324 1.00 71.02 H new ATOM 0 HD3 ARG A 51 8.509 -1.169 -4.165 1.00 71.02 H new ATOM 0 HE ARG A 51 7.108 -1.630 -6.768 1.00 33.33 H new ATOM 0 HH11 ARG A 51 7.098 -0.316 -3.537 1.00 30.13 H new ATOM 0 HH12 ARG A 51 5.549 0.499 -3.771 1.00 30.13 H new ATOM 0 HH21 ARG A 51 5.231 -0.453 -7.050 1.00 13.33 H new ATOM 0 HH22 ARG A 51 4.532 0.424 -5.685 1.00 13.33 H new ATOM 769 N VAL A 52 12.214 1.936 -7.611 1.00 14.43 N ATOM 770 CA VAL A 52 12.115 3.181 -8.410 1.00 33.12 C ATOM 771 C VAL A 52 11.201 2.988 -9.647 1.00 51.54 C ATOM 772 O VAL A 52 11.573 2.300 -10.603 1.00 72.31 O ATOM 773 CB VAL A 52 13.534 3.676 -8.874 1.00 15.54 C ATOM 774 CG1 VAL A 52 13.439 5.061 -9.568 1.00 45.25 C ATOM 775 CG2 VAL A 52 14.534 3.704 -7.691 1.00 55.42 C ATOM 0 H VAL A 52 12.735 1.193 -8.076 1.00 14.43 H new ATOM 0 HA VAL A 52 11.672 3.939 -7.763 1.00 33.12 H new ATOM 0 HB VAL A 52 13.914 2.963 -9.606 1.00 15.54 H new ATOM 0 HG11 VAL A 52 14.433 5.381 -9.879 1.00 45.25 H new ATOM 0 HG12 VAL A 52 12.792 4.987 -10.442 1.00 45.25 H new ATOM 0 HG13 VAL A 52 13.025 5.790 -8.871 1.00 45.25 H new ATOM 0 HG21 VAL A 52 15.505 4.050 -8.044 1.00 55.42 H new ATOM 0 HG22 VAL A 52 14.166 4.380 -6.919 1.00 55.42 H new ATOM 0 HG23 VAL A 52 14.635 2.701 -7.276 1.00 55.42 H new ATOM 785 N PHE A 53 10.016 3.616 -9.610 1.00 34.01 N ATOM 786 CA PHE A 53 8.999 3.549 -10.689 1.00 52.22 C ATOM 787 C PHE A 53 9.541 4.146 -12.012 1.00 55.01 C ATOM 788 O PHE A 53 9.881 5.331 -12.061 1.00 0.03 O ATOM 789 CB PHE A 53 7.723 4.315 -10.254 1.00 62.42 C ATOM 790 CG PHE A 53 7.018 3.742 -9.024 1.00 65.14 C ATOM 791 CD1 PHE A 53 7.535 3.933 -7.740 1.00 33.23 C ATOM 792 CD2 PHE A 53 5.819 3.042 -9.146 1.00 24.43 C ATOM 793 CE1 PHE A 53 6.883 3.438 -6.630 1.00 63.55 C ATOM 794 CE2 PHE A 53 5.172 2.548 -8.037 1.00 73.43 C ATOM 795 CZ PHE A 53 5.698 2.753 -6.781 1.00 14.54 C ATOM 0 H PHE A 53 9.726 4.195 -8.822 1.00 34.01 H new ATOM 0 HA PHE A 53 8.758 2.500 -10.863 1.00 52.22 H new ATOM 0 HB2 PHE A 53 7.990 5.352 -10.052 1.00 62.42 H new ATOM 0 HB3 PHE A 53 7.020 4.324 -11.087 1.00 62.42 H new ATOM 0 HD1 PHE A 53 8.460 4.477 -7.615 1.00 33.23 H new ATOM 0 HD2 PHE A 53 5.392 2.885 -10.125 1.00 24.43 H new ATOM 0 HE1 PHE A 53 7.301 3.587 -5.645 1.00 63.55 H new ATOM 0 HE2 PHE A 53 4.250 1.998 -8.152 1.00 73.43 H new ATOM 0 HZ PHE A 53 5.180 2.375 -5.912 1.00 14.54 H new ATOM 805 N GLY A 54 9.614 3.314 -13.075 1.00 3.50 N ATOM 806 CA GLY A 54 10.158 3.741 -14.380 1.00 42.15 C ATOM 807 C GLY A 54 11.687 3.622 -14.445 1.00 21.11 C ATOM 808 O GLY A 54 12.215 2.730 -15.122 1.00 71.11 O ATOM 0 H GLY A 54 9.302 2.343 -13.053 1.00 3.50 H new ATOM 0 HA2 GLY A 54 9.715 3.135 -15.171 1.00 42.15 H new ATOM 0 HA3 GLY A 54 9.868 4.774 -14.570 1.00 42.15 H new ATOM 812 N ALA A 55 12.376 4.531 -13.717 1.00 42.12 N ATOM 813 CA ALA A 55 13.857 4.590 -13.613 1.00 71.34 C ATOM 814 C ALA A 55 14.567 4.823 -14.982 1.00 74.22 C ATOM 815 O ALA A 55 14.734 3.894 -15.784 1.00 42.14 O ATOM 816 CB ALA A 55 14.408 3.345 -12.892 1.00 52.03 C ATOM 0 H ALA A 55 11.911 5.259 -13.174 1.00 42.12 H new ATOM 0 HA ALA A 55 14.088 5.468 -13.010 1.00 71.34 H new ATOM 0 HB1 ALA A 55 15.494 3.412 -12.829 1.00 52.03 H new ATOM 0 HB2 ALA A 55 13.989 3.291 -11.887 1.00 52.03 H new ATOM 0 HB3 ALA A 55 14.132 2.450 -13.449 1.00 52.03 H new ATOM 822 N GLY A 56 14.990 6.077 -15.230 1.00 45.41 N ATOM 823 CA GLY A 56 15.691 6.454 -16.473 1.00 1.20 C ATOM 824 C GLY A 56 14.908 7.431 -17.357 1.00 31.01 C ATOM 825 O GLY A 56 15.110 7.475 -18.574 1.00 44.30 O ATOM 0 H GLY A 56 14.857 6.852 -14.580 1.00 45.41 H new ATOM 0 HA2 GLY A 56 16.651 6.902 -16.215 1.00 1.20 H new ATOM 0 HA3 GLY A 56 15.904 5.552 -17.046 1.00 1.20 H new ATOM 829 N THR A 57 14.013 8.215 -16.732 1.00 24.31 N ATOM 830 CA THR A 57 13.148 9.214 -17.419 1.00 42.23 C ATOM 831 C THR A 57 13.361 10.620 -16.803 1.00 43.35 C ATOM 832 O THR A 57 14.271 10.820 -15.994 1.00 32.14 O ATOM 833 CB THR A 57 11.633 8.811 -17.302 1.00 2.21 C ATOM 834 OG1 THR A 57 11.229 8.792 -15.921 1.00 44.34 O ATOM 835 CG2 THR A 57 11.348 7.434 -17.934 1.00 51.53 C ATOM 0 H THR A 57 13.861 8.179 -15.724 1.00 24.31 H new ATOM 0 HA THR A 57 13.425 9.236 -18.473 1.00 42.23 H new ATOM 0 HB THR A 57 11.060 9.559 -17.849 1.00 2.21 H new ATOM 0 HG1 THR A 57 10.284 8.542 -15.860 1.00 44.34 H new ATOM 0 HG21 THR A 57 10.289 7.198 -17.829 1.00 51.53 H new ATOM 0 HG22 THR A 57 11.612 7.457 -18.991 1.00 51.53 H new ATOM 0 HG23 THR A 57 11.941 6.672 -17.429 1.00 51.53 H new ATOM 843 N GLU A 58 12.533 11.604 -17.210 1.00 60.14 N ATOM 844 CA GLU A 58 12.545 12.967 -16.612 1.00 14.03 C ATOM 845 C GLU A 58 11.622 13.057 -15.367 1.00 24.31 C ATOM 846 O GLU A 58 11.509 14.123 -14.748 1.00 31.34 O ATOM 847 CB GLU A 58 12.141 14.023 -17.678 1.00 71.35 C ATOM 848 CG GLU A 58 13.087 14.082 -18.899 1.00 63.11 C ATOM 849 CD GLU A 58 12.743 15.218 -19.883 1.00 45.13 C ATOM 850 OE1 GLU A 58 13.137 16.376 -19.623 1.00 22.14 O ATOM 851 OE2 GLU A 58 12.088 14.961 -20.921 1.00 61.12 O ATOM 0 H GLU A 58 11.843 11.485 -17.952 1.00 60.14 H new ATOM 0 HA GLU A 58 13.560 13.177 -16.276 1.00 14.03 H new ATOM 0 HB2 GLU A 58 11.131 13.805 -18.025 1.00 71.35 H new ATOM 0 HB3 GLU A 58 12.111 15.006 -17.207 1.00 71.35 H new ATOM 0 HG2 GLU A 58 14.112 14.211 -18.550 1.00 63.11 H new ATOM 0 HG3 GLU A 58 13.047 13.129 -19.427 1.00 63.11 H new ATOM 858 N GLU A 59 10.983 11.928 -15.007 1.00 24.51 N ATOM 859 CA GLU A 59 10.123 11.823 -13.814 1.00 61.44 C ATOM 860 C GLU A 59 9.997 10.346 -13.381 1.00 30.02 C ATOM 861 O GLU A 59 9.120 9.613 -13.860 1.00 63.45 O ATOM 862 CB GLU A 59 8.718 12.442 -14.093 1.00 60.33 C ATOM 863 CG GLU A 59 7.753 12.437 -12.886 1.00 33.21 C ATOM 864 CD GLU A 59 6.345 12.954 -13.231 1.00 32.52 C ATOM 865 OE1 GLU A 59 5.515 12.163 -13.730 1.00 4.25 O ATOM 866 OE2 GLU A 59 6.065 14.156 -13.017 1.00 4.43 O ATOM 0 H GLU A 59 11.049 11.060 -15.538 1.00 24.51 H new ATOM 0 HA GLU A 59 10.582 12.385 -13.000 1.00 61.44 H new ATOM 0 HB2 GLU A 59 8.851 13.470 -14.429 1.00 60.33 H new ATOM 0 HB3 GLU A 59 8.253 11.896 -14.914 1.00 60.33 H new ATOM 0 HG2 GLU A 59 7.675 11.422 -12.496 1.00 33.21 H new ATOM 0 HG3 GLU A 59 8.174 13.052 -12.091 1.00 33.21 H new ATOM 873 N GLU A 60 10.934 9.894 -12.537 1.00 45.12 N ATOM 874 CA GLU A 60 10.859 8.579 -11.868 1.00 40.43 C ATOM 875 C GLU A 60 10.707 8.760 -10.333 1.00 12.21 C ATOM 876 O GLU A 60 11.335 9.639 -9.729 1.00 22.15 O ATOM 877 CB GLU A 60 12.093 7.684 -12.218 1.00 1.40 C ATOM 878 CG GLU A 60 13.493 8.240 -11.850 1.00 4.41 C ATOM 879 CD GLU A 60 14.071 9.237 -12.879 1.00 13.02 C ATOM 880 OE1 GLU A 60 14.736 8.787 -13.838 1.00 45.23 O ATOM 881 OE2 GLU A 60 13.869 10.464 -12.730 1.00 65.11 O ATOM 0 H GLU A 60 11.769 10.428 -12.295 1.00 45.12 H new ATOM 0 HA GLU A 60 9.975 8.061 -12.240 1.00 40.43 H new ATOM 0 HB2 GLU A 60 11.968 6.724 -11.718 1.00 1.40 H new ATOM 0 HB3 GLU A 60 12.077 7.489 -13.290 1.00 1.40 H new ATOM 0 HG2 GLU A 60 13.432 8.732 -10.879 1.00 4.41 H new ATOM 0 HG3 GLU A 60 14.186 7.405 -11.741 1.00 4.41 H new ATOM 888 N LEU A 61 9.855 7.923 -9.714 1.00 64.51 N ATOM 889 CA LEU A 61 9.552 7.988 -8.265 1.00 4.12 C ATOM 890 C LEU A 61 10.450 7.001 -7.497 1.00 11.32 C ATOM 891 O LEU A 61 10.362 5.792 -7.710 1.00 14.24 O ATOM 892 CB LEU A 61 8.043 7.676 -8.021 1.00 32.51 C ATOM 893 CG LEU A 61 7.580 7.579 -6.524 1.00 73.03 C ATOM 894 CD1 LEU A 61 7.856 8.881 -5.751 1.00 73.31 C ATOM 895 CD2 LEU A 61 6.088 7.175 -6.414 1.00 11.14 C ATOM 0 H LEU A 61 9.354 7.180 -10.201 1.00 64.51 H new ATOM 0 HA LEU A 61 9.756 8.994 -7.898 1.00 4.12 H new ATOM 0 HB2 LEU A 61 7.451 8.449 -8.512 1.00 32.51 H new ATOM 0 HB3 LEU A 61 7.806 6.733 -8.513 1.00 32.51 H new ATOM 0 HG LEU A 61 8.175 6.791 -6.061 1.00 73.03 H new ATOM 0 HD11 LEU A 61 7.520 8.770 -4.720 1.00 73.31 H new ATOM 0 HD12 LEU A 61 8.925 9.092 -5.764 1.00 73.31 H new ATOM 0 HD13 LEU A 61 7.318 9.704 -6.221 1.00 73.31 H new ATOM 0 HD21 LEU A 61 5.803 7.118 -5.363 1.00 11.14 H new ATOM 0 HD22 LEU A 61 5.471 7.920 -6.917 1.00 11.14 H new ATOM 0 HD23 LEU A 61 5.939 6.203 -6.884 1.00 11.14 H new ATOM 907 N VAL A 62 11.307 7.517 -6.595 1.00 13.05 N ATOM 908 CA VAL A 62 12.256 6.680 -5.834 1.00 62.40 C ATOM 909 C VAL A 62 11.658 6.337 -4.456 1.00 50.51 C ATOM 910 O VAL A 62 11.416 7.228 -3.633 1.00 12.13 O ATOM 911 CB VAL A 62 13.646 7.386 -5.647 1.00 43.54 C ATOM 912 CG1 VAL A 62 14.665 6.453 -4.933 1.00 60.22 C ATOM 913 CG2 VAL A 62 14.198 7.900 -7.003 1.00 44.12 C ATOM 0 H VAL A 62 11.362 8.511 -6.375 1.00 13.05 H new ATOM 0 HA VAL A 62 12.423 5.768 -6.406 1.00 62.40 H new ATOM 0 HB VAL A 62 13.494 8.252 -5.003 1.00 43.54 H new ATOM 0 HG11 VAL A 62 15.616 6.973 -4.819 1.00 60.22 H new ATOM 0 HG12 VAL A 62 14.281 6.180 -3.950 1.00 60.22 H new ATOM 0 HG13 VAL A 62 14.812 5.552 -5.528 1.00 60.22 H new ATOM 0 HG21 VAL A 62 15.161 8.384 -6.844 1.00 44.12 H new ATOM 0 HG22 VAL A 62 14.323 7.060 -7.687 1.00 44.12 H new ATOM 0 HG23 VAL A 62 13.498 8.617 -7.433 1.00 44.12 H new ATOM 923 N GLU A 63 11.413 5.041 -4.230 1.00 50.44 N ATOM 924 CA GLU A 63 10.841 4.510 -2.975 1.00 72.11 C ATOM 925 C GLU A 63 11.905 3.649 -2.232 1.00 50.44 C ATOM 926 O GLU A 63 12.941 3.312 -2.813 1.00 62.52 O ATOM 927 CB GLU A 63 9.580 3.683 -3.323 1.00 12.05 C ATOM 928 CG GLU A 63 8.640 3.398 -2.149 1.00 21.50 C ATOM 929 CD GLU A 63 7.536 2.409 -2.526 1.00 34.15 C ATOM 930 OE1 GLU A 63 6.525 2.811 -3.154 1.00 63.23 O ATOM 931 OE2 GLU A 63 7.679 1.219 -2.199 1.00 5.05 O ATOM 0 H GLU A 63 11.608 4.316 -4.921 1.00 50.44 H new ATOM 0 HA GLU A 63 10.556 5.323 -2.308 1.00 72.11 H new ATOM 0 HB2 GLU A 63 9.021 4.212 -4.095 1.00 12.05 H new ATOM 0 HB3 GLU A 63 9.896 2.733 -3.753 1.00 12.05 H new ATOM 0 HG2 GLU A 63 9.215 2.999 -1.313 1.00 21.50 H new ATOM 0 HG3 GLU A 63 8.190 4.331 -1.810 1.00 21.50 H new ATOM 938 N ARG A 64 11.658 3.312 -0.945 1.00 31.45 N ATOM 939 CA ARG A 64 12.628 2.556 -0.106 1.00 12.21 C ATOM 940 C ARG A 64 11.917 1.714 0.984 1.00 15.41 C ATOM 941 O ARG A 64 11.150 2.244 1.787 1.00 34.23 O ATOM 942 CB ARG A 64 13.642 3.539 0.550 1.00 32.14 C ATOM 943 CG ARG A 64 14.777 2.880 1.377 1.00 31.13 C ATOM 944 CD ARG A 64 15.718 3.929 2.002 1.00 10.54 C ATOM 945 NE ARG A 64 16.825 3.324 2.776 1.00 24.23 N ATOM 946 CZ ARG A 64 17.302 3.788 3.918 1.00 22.22 C ATOM 947 NH1 ARG A 64 16.726 4.777 4.529 1.00 32.43 N ATOM 948 NH2 ARG A 64 18.341 3.235 4.453 1.00 30.12 N ATOM 0 H ARG A 64 10.793 3.551 -0.460 1.00 31.45 H new ATOM 0 HA ARG A 64 13.161 1.864 -0.758 1.00 12.21 H new ATOM 0 HB2 ARG A 64 14.094 4.144 -0.236 1.00 32.14 H new ATOM 0 HB3 ARG A 64 13.092 4.220 1.200 1.00 32.14 H new ATOM 0 HG2 ARG A 64 14.342 2.267 2.166 1.00 31.13 H new ATOM 0 HG3 ARG A 64 15.353 2.213 0.736 1.00 31.13 H new ATOM 0 HD2 ARG A 64 16.134 4.553 1.211 1.00 10.54 H new ATOM 0 HD3 ARG A 64 15.141 4.584 2.655 1.00 10.54 H new ATOM 0 HE ARG A 64 17.255 2.480 2.397 1.00 24.23 H new ATOM 0 HH11 ARG A 64 15.893 5.208 4.129 1.00 32.43 H new ATOM 0 HH12 ARG A 64 17.106 5.124 5.410 1.00 32.43 H new ATOM 0 HH21 ARG A 64 18.790 2.443 3.994 1.00 30.12 H new ATOM 0 HH22 ARG A 64 18.711 3.591 5.334 1.00 30.12 H new ATOM 962 N LEU A 65 12.210 0.405 0.992 1.00 72.21 N ATOM 963 CA LEU A 65 11.709 -0.568 1.990 1.00 12.30 C ATOM 964 C LEU A 65 12.316 -0.303 3.390 1.00 14.34 C ATOM 965 O LEU A 65 13.539 -0.333 3.562 1.00 51.01 O ATOM 966 CB LEU A 65 12.061 -2.002 1.496 1.00 52.24 C ATOM 967 CG LEU A 65 11.617 -3.210 2.378 1.00 12.25 C ATOM 968 CD1 LEU A 65 10.113 -3.159 2.684 1.00 11.44 C ATOM 969 CD2 LEU A 65 11.991 -4.548 1.696 1.00 75.11 C ATOM 0 H LEU A 65 12.815 -0.022 0.291 1.00 72.21 H new ATOM 0 HA LEU A 65 10.629 -0.463 2.088 1.00 12.30 H new ATOM 0 HB2 LEU A 65 11.622 -2.132 0.507 1.00 52.24 H new ATOM 0 HB3 LEU A 65 13.143 -2.057 1.374 1.00 52.24 H new ATOM 0 HG LEU A 65 12.150 -3.143 3.327 1.00 12.25 H new ATOM 0 HD11 LEU A 65 9.838 -4.015 3.300 1.00 11.44 H new ATOM 0 HD12 LEU A 65 9.882 -2.238 3.219 1.00 11.44 H new ATOM 0 HD13 LEU A 65 9.551 -3.188 1.751 1.00 11.44 H new ATOM 0 HD21 LEU A 65 11.673 -5.379 2.326 1.00 75.11 H new ATOM 0 HD22 LEU A 65 11.493 -4.615 0.729 1.00 75.11 H new ATOM 0 HD23 LEU A 65 13.070 -4.594 1.552 1.00 75.11 H new ATOM 981 N VAL A 66 11.445 -0.029 4.377 1.00 52.40 N ATOM 982 CA VAL A 66 11.855 0.196 5.783 1.00 41.10 C ATOM 983 C VAL A 66 11.980 -1.148 6.536 1.00 22.35 C ATOM 984 O VAL A 66 13.013 -1.441 7.142 1.00 12.44 O ATOM 985 CB VAL A 66 10.835 1.138 6.530 1.00 45.34 C ATOM 986 CG1 VAL A 66 11.226 1.367 8.020 1.00 10.43 C ATOM 987 CG2 VAL A 66 10.684 2.486 5.785 1.00 21.12 C ATOM 0 H VAL A 66 10.439 0.044 4.228 1.00 52.40 H new ATOM 0 HA VAL A 66 12.829 0.686 5.769 1.00 41.10 H new ATOM 0 HB VAL A 66 9.870 0.631 6.528 1.00 45.34 H new ATOM 0 HG11 VAL A 66 10.494 2.022 8.492 1.00 10.43 H new ATOM 0 HG12 VAL A 66 11.247 0.410 8.542 1.00 10.43 H new ATOM 0 HG13 VAL A 66 12.212 1.829 8.071 1.00 10.43 H new ATOM 0 HG21 VAL A 66 9.975 3.119 6.319 1.00 21.12 H new ATOM 0 HG22 VAL A 66 11.652 2.985 5.736 1.00 21.12 H new ATOM 0 HG23 VAL A 66 10.318 2.304 4.774 1.00 21.12 H new ATOM 997 N GLU A 67 10.916 -1.964 6.466 1.00 50.35 N ATOM 998 CA GLU A 67 10.848 -3.269 7.165 1.00 72.10 C ATOM 999 C GLU A 67 9.848 -4.210 6.456 1.00 12.51 C ATOM 1000 O GLU A 67 8.782 -3.780 6.006 1.00 15.30 O ATOM 1001 CB GLU A 67 10.482 -3.058 8.668 1.00 65.45 C ATOM 1002 CG GLU A 67 9.182 -2.259 8.903 1.00 72.21 C ATOM 1003 CD GLU A 67 9.005 -1.726 10.338 1.00 30.23 C ATOM 1004 OE1 GLU A 67 9.929 -1.052 10.851 1.00 25.25 O ATOM 1005 OE2 GLU A 67 7.933 -1.929 10.943 1.00 1.32 O ATOM 0 H GLU A 67 10.079 -1.744 5.927 1.00 50.35 H new ATOM 0 HA GLU A 67 11.827 -3.746 7.127 1.00 72.10 H new ATOM 0 HB2 GLU A 67 10.386 -4.033 9.146 1.00 65.45 H new ATOM 0 HB3 GLU A 67 11.306 -2.541 9.161 1.00 65.45 H new ATOM 0 HG2 GLU A 67 9.159 -1.417 8.212 1.00 72.21 H new ATOM 0 HG3 GLU A 67 8.331 -2.895 8.659 1.00 72.21 H new ATOM 1012 N ARG A 68 10.211 -5.493 6.352 1.00 60.23 N ATOM 1013 CA ARG A 68 9.437 -6.503 5.604 1.00 30.33 C ATOM 1014 C ARG A 68 9.258 -7.767 6.472 1.00 34.21 C ATOM 1015 O ARG A 68 10.202 -8.526 6.688 1.00 23.35 O ATOM 1016 CB ARG A 68 10.173 -6.805 4.263 1.00 2.10 C ATOM 1017 CG ARG A 68 9.602 -7.962 3.412 1.00 50.04 C ATOM 1018 CD ARG A 68 8.101 -7.831 3.107 1.00 40.00 C ATOM 1019 NE ARG A 68 7.601 -8.921 2.250 1.00 0.12 N ATOM 1020 CZ ARG A 68 7.414 -10.173 2.611 1.00 43.01 C ATOM 1021 NH1 ARG A 68 7.810 -10.626 3.761 1.00 55.02 N ATOM 1022 NH2 ARG A 68 6.853 -10.990 1.785 1.00 43.14 N ATOM 0 H ARG A 68 11.055 -5.867 6.786 1.00 60.23 H new ATOM 0 HA ARG A 68 8.440 -6.131 5.367 1.00 30.33 H new ATOM 0 HB2 ARG A 68 10.165 -5.899 3.657 1.00 2.10 H new ATOM 0 HB3 ARG A 68 11.216 -7.029 4.488 1.00 2.10 H new ATOM 0 HG2 ARG A 68 10.150 -8.013 2.471 1.00 50.04 H new ATOM 0 HG3 ARG A 68 9.776 -8.903 3.934 1.00 50.04 H new ATOM 0 HD2 ARG A 68 7.543 -7.824 4.043 1.00 40.00 H new ATOM 0 HD3 ARG A 68 7.915 -6.875 2.618 1.00 40.00 H new ATOM 0 HE ARG A 68 7.378 -8.682 1.284 1.00 0.12 H new ATOM 0 HH11 ARG A 68 8.283 -10.006 4.418 1.00 55.02 H new ATOM 0 HH12 ARG A 68 7.648 -11.602 4.008 1.00 55.02 H new ATOM 0 HH21 ARG A 68 6.560 -10.663 0.864 1.00 43.14 H new ATOM 0 HH22 ARG A 68 6.702 -11.963 2.053 1.00 43.14 H new ATOM 1036 N ASP A 69 8.026 -7.968 6.975 1.00 42.44 N ATOM 1037 CA ASP A 69 7.681 -9.094 7.873 1.00 0.34 C ATOM 1038 C ASP A 69 6.510 -9.934 7.301 1.00 14.22 C ATOM 1039 O ASP A 69 5.392 -9.433 7.153 1.00 34.05 O ATOM 1040 CB ASP A 69 7.345 -8.544 9.285 1.00 21.04 C ATOM 1041 CG ASP A 69 8.594 -8.060 10.052 1.00 35.14 C ATOM 1042 OD1 ASP A 69 9.132 -6.977 9.727 1.00 14.01 O ATOM 1043 OD2 ASP A 69 9.037 -8.763 10.981 1.00 12.21 O ATOM 0 H ASP A 69 7.237 -7.354 6.772 1.00 42.44 H new ATOM 0 HA ASP A 69 8.540 -9.760 7.949 1.00 0.34 H new ATOM 0 HB2 ASP A 69 6.640 -7.718 9.190 1.00 21.04 H new ATOM 0 HB3 ASP A 69 6.848 -9.322 9.864 1.00 21.04 H new ATOM 1048 N GLU A 70 6.786 -11.222 6.989 1.00 24.44 N ATOM 1049 CA GLU A 70 5.789 -12.148 6.385 1.00 33.14 C ATOM 1050 C GLU A 70 4.885 -12.824 7.445 1.00 4.41 C ATOM 1051 O GLU A 70 3.678 -12.990 7.226 1.00 23.31 O ATOM 1052 CB GLU A 70 6.503 -13.219 5.518 1.00 53.00 C ATOM 1053 CG GLU A 70 7.491 -14.123 6.275 1.00 21.13 C ATOM 1054 CD GLU A 70 8.177 -15.155 5.373 1.00 13.44 C ATOM 1055 OE1 GLU A 70 7.581 -16.224 5.120 1.00 75.31 O ATOM 1056 OE2 GLU A 70 9.302 -14.891 4.896 1.00 12.34 O ATOM 0 H GLU A 70 7.699 -11.650 7.146 1.00 24.44 H new ATOM 0 HA GLU A 70 5.138 -11.546 5.751 1.00 33.14 H new ATOM 0 HB2 GLU A 70 5.746 -13.848 5.050 1.00 53.00 H new ATOM 0 HB3 GLU A 70 7.040 -12.714 4.715 1.00 53.00 H new ATOM 0 HG2 GLU A 70 8.251 -13.502 6.750 1.00 21.13 H new ATOM 0 HG3 GLU A 70 6.960 -14.643 7.073 1.00 21.13 H new ATOM 1063 N SER A 71 5.482 -13.201 8.593 1.00 44.40 N ATOM 1064 CA SER A 71 4.757 -13.849 9.714 1.00 42.12 C ATOM 1065 C SER A 71 3.838 -12.843 10.443 1.00 30.41 C ATOM 1066 O SER A 71 2.864 -13.235 11.083 1.00 51.31 O ATOM 1067 CB SER A 71 5.760 -14.473 10.711 1.00 51.31 C ATOM 1068 OG SER A 71 6.619 -15.408 10.072 1.00 52.14 O ATOM 0 H SER A 71 6.477 -13.067 8.773 1.00 44.40 H new ATOM 0 HA SER A 71 4.131 -14.638 9.297 1.00 42.12 H new ATOM 0 HB2 SER A 71 6.356 -13.684 11.170 1.00 51.31 H new ATOM 0 HB3 SER A 71 5.215 -14.969 11.514 1.00 51.31 H new ATOM 0 HG SER A 71 7.242 -15.783 10.730 1.00 52.14 H new ATOM 1074 N ALA A 72 4.187 -11.548 10.362 1.00 41.44 N ATOM 1075 CA ALA A 72 3.337 -10.443 10.851 1.00 54.03 C ATOM 1076 C ALA A 72 2.323 -9.975 9.772 1.00 32.40 C ATOM 1077 O ALA A 72 1.343 -9.298 10.105 1.00 14.14 O ATOM 1078 CB ALA A 72 4.221 -9.267 11.300 1.00 72.33 C ATOM 0 H ALA A 72 5.068 -11.235 9.955 1.00 41.44 H new ATOM 0 HA ALA A 72 2.762 -10.811 11.700 1.00 54.03 H new ATOM 0 HB1 ALA A 72 3.590 -8.454 11.660 1.00 72.33 H new ATOM 0 HB2 ALA A 72 4.883 -9.595 12.102 1.00 72.33 H new ATOM 0 HB3 ALA A 72 4.817 -8.918 10.457 1.00 72.33 H new ATOM 1084 N ARG A 73 2.581 -10.333 8.480 1.00 1.43 N ATOM 1085 CA ARG A 73 1.786 -9.856 7.305 1.00 15.11 C ATOM 1086 C ARG A 73 1.737 -8.310 7.252 1.00 60.12 C ATOM 1087 O ARG A 73 0.702 -7.699 6.954 1.00 32.21 O ATOM 1088 CB ARG A 73 0.371 -10.511 7.300 1.00 71.24 C ATOM 1089 CG ARG A 73 0.349 -11.945 6.713 1.00 42.33 C ATOM 1090 CD ARG A 73 -0.826 -12.791 7.235 1.00 4.42 C ATOM 1091 NE ARG A 73 -0.683 -13.077 8.676 1.00 33.34 N ATOM 1092 CZ ARG A 73 0.158 -13.949 9.212 1.00 12.00 C ATOM 1093 NH1 ARG A 73 0.955 -14.664 8.481 1.00 62.53 N ATOM 1094 NH2 ARG A 73 0.207 -14.082 10.495 1.00 43.15 N ATOM 0 H ARG A 73 3.344 -10.959 8.223 1.00 1.43 H new ATOM 0 HA ARG A 73 2.285 -10.174 6.390 1.00 15.11 H new ATOM 0 HB2 ARG A 73 -0.009 -10.540 8.321 1.00 71.24 H new ATOM 0 HB3 ARG A 73 -0.308 -9.882 6.725 1.00 71.24 H new ATOM 0 HG2 ARG A 73 0.292 -11.886 5.626 1.00 42.33 H new ATOM 0 HG3 ARG A 73 1.286 -12.446 6.956 1.00 42.33 H new ATOM 0 HD2 ARG A 73 -1.763 -12.264 7.058 1.00 4.42 H new ATOM 0 HD3 ARG A 73 -0.877 -13.727 6.680 1.00 4.42 H new ATOM 0 HE ARG A 73 -1.285 -12.558 9.315 1.00 33.34 H new ATOM 0 HH11 ARG A 73 0.945 -14.563 7.466 1.00 62.53 H new ATOM 0 HH12 ARG A 73 1.592 -15.328 8.921 1.00 62.53 H new ATOM 0 HH21 ARG A 73 -0.400 -13.518 11.090 1.00 43.15 H new ATOM 0 HH22 ARG A 73 0.852 -14.752 10.914 1.00 43.15 H new ATOM 1108 N ARG A 74 2.914 -7.707 7.493 1.00 61.23 N ATOM 1109 CA ARG A 74 3.085 -6.255 7.631 1.00 24.23 C ATOM 1110 C ARG A 74 4.310 -5.782 6.787 1.00 11.21 C ATOM 1111 O ARG A 74 5.452 -6.167 7.051 1.00 13.01 O ATOM 1112 CB ARG A 74 3.220 -5.938 9.161 1.00 71.43 C ATOM 1113 CG ARG A 74 3.205 -4.439 9.558 1.00 71.55 C ATOM 1114 CD ARG A 74 4.591 -3.770 9.484 1.00 11.03 C ATOM 1115 NE ARG A 74 5.508 -4.276 10.515 1.00 33.41 N ATOM 1116 CZ ARG A 74 6.684 -4.823 10.297 1.00 60.14 C ATOM 1117 NH1 ARG A 74 7.130 -5.024 9.094 1.00 50.44 N ATOM 1118 NH2 ARG A 74 7.417 -5.163 11.297 1.00 14.12 N ATOM 0 H ARG A 74 3.786 -8.226 7.599 1.00 61.23 H new ATOM 0 HA ARG A 74 2.227 -5.705 7.243 1.00 24.23 H new ATOM 0 HB2 ARG A 74 2.407 -6.439 9.687 1.00 71.43 H new ATOM 0 HB3 ARG A 74 4.151 -6.377 9.520 1.00 71.43 H new ATOM 0 HG2 ARG A 74 2.517 -3.905 8.903 1.00 71.55 H new ATOM 0 HG3 ARG A 74 2.818 -4.344 10.573 1.00 71.55 H new ATOM 0 HD2 ARG A 74 5.024 -3.943 8.499 1.00 11.03 H new ATOM 0 HD3 ARG A 74 4.479 -2.692 9.598 1.00 11.03 H new ATOM 0 HE ARG A 74 5.206 -4.196 11.486 1.00 33.41 H new ATOM 0 HH11 ARG A 74 6.564 -4.756 8.289 1.00 50.44 H new ATOM 0 HH12 ARG A 74 8.046 -5.450 8.954 1.00 50.44 H new ATOM 0 HH21 ARG A 74 7.085 -5.008 12.249 1.00 14.12 H new ATOM 0 HH22 ARG A 74 8.331 -5.588 11.139 1.00 14.12 H new ATOM 1132 N LEU A 75 4.035 -4.944 5.769 1.00 51.22 N ATOM 1133 CA LEU A 75 5.037 -4.434 4.791 1.00 52.25 C ATOM 1134 C LEU A 75 5.136 -2.889 4.855 1.00 33.33 C ATOM 1135 O LEU A 75 4.236 -2.207 4.403 1.00 61.31 O ATOM 1136 CB LEU A 75 4.610 -4.893 3.356 1.00 1.42 C ATOM 1137 CG LEU A 75 5.349 -4.241 2.132 1.00 11.03 C ATOM 1138 CD1 LEU A 75 6.870 -4.438 2.205 1.00 52.44 C ATOM 1139 CD2 LEU A 75 4.779 -4.765 0.792 1.00 31.35 C ATOM 0 H LEU A 75 3.094 -4.591 5.593 1.00 51.22 H new ATOM 0 HA LEU A 75 6.020 -4.837 5.035 1.00 52.25 H new ATOM 0 HB2 LEU A 75 4.747 -5.973 3.294 1.00 1.42 H new ATOM 0 HB3 LEU A 75 3.543 -4.700 3.245 1.00 1.42 H new ATOM 0 HG LEU A 75 5.164 -3.168 2.180 1.00 11.03 H new ATOM 0 HD11 LEU A 75 7.339 -3.971 1.339 1.00 52.44 H new ATOM 0 HD12 LEU A 75 7.253 -3.979 3.117 1.00 52.44 H new ATOM 0 HD13 LEU A 75 7.099 -5.504 2.211 1.00 52.44 H new ATOM 0 HD21 LEU A 75 5.309 -4.297 -0.037 1.00 31.35 H new ATOM 0 HD22 LEU A 75 4.907 -5.846 0.740 1.00 31.35 H new ATOM 0 HD23 LEU A 75 3.718 -4.522 0.728 1.00 31.35 H new ATOM 1151 N VAL A 76 6.256 -2.339 5.371 1.00 50.22 N ATOM 1152 CA VAL A 76 6.442 -0.866 5.490 1.00 3.13 C ATOM 1153 C VAL A 76 7.513 -0.354 4.509 1.00 61.42 C ATOM 1154 O VAL A 76 8.590 -0.937 4.384 1.00 70.14 O ATOM 1155 CB VAL A 76 6.856 -0.410 6.934 1.00 65.10 C ATOM 1156 CG1 VAL A 76 7.059 1.122 7.019 1.00 21.34 C ATOM 1157 CG2 VAL A 76 5.839 -0.872 7.986 1.00 23.24 C ATOM 0 H VAL A 76 7.046 -2.886 5.713 1.00 50.22 H new ATOM 0 HA VAL A 76 5.468 -0.439 5.253 1.00 3.13 H new ATOM 0 HB VAL A 76 7.811 -0.888 7.149 1.00 65.10 H new ATOM 0 HG11 VAL A 76 7.345 1.395 8.035 1.00 21.34 H new ATOM 0 HG12 VAL A 76 7.845 1.424 6.327 1.00 21.34 H new ATOM 0 HG13 VAL A 76 6.130 1.627 6.755 1.00 21.34 H new ATOM 0 HG21 VAL A 76 6.159 -0.538 8.973 1.00 23.24 H new ATOM 0 HG22 VAL A 76 4.861 -0.447 7.758 1.00 23.24 H new ATOM 0 HG23 VAL A 76 5.773 -1.960 7.975 1.00 23.24 H new ATOM 1167 N TYR A 77 7.209 0.783 3.878 1.00 73.00 N ATOM 1168 CA TYR A 77 8.123 1.519 2.998 1.00 21.11 C ATOM 1169 C TYR A 77 7.894 3.049 3.133 1.00 30.51 C ATOM 1170 O TYR A 77 7.038 3.495 3.905 1.00 43.41 O ATOM 1171 CB TYR A 77 7.942 1.048 1.531 1.00 41.12 C ATOM 1172 CG TYR A 77 6.505 1.156 0.975 1.00 70.01 C ATOM 1173 CD1 TYR A 77 6.021 2.360 0.455 1.00 52.03 C ATOM 1174 CD2 TYR A 77 5.650 0.048 0.950 1.00 43.31 C ATOM 1175 CE1 TYR A 77 4.751 2.456 -0.073 1.00 60.22 C ATOM 1176 CE2 TYR A 77 4.372 0.144 0.428 1.00 51.12 C ATOM 1177 CZ TYR A 77 3.929 1.350 -0.082 1.00 70.32 C ATOM 1178 OH TYR A 77 2.665 1.447 -0.614 1.00 43.12 O ATOM 0 H TYR A 77 6.296 1.230 3.967 1.00 73.00 H new ATOM 0 HA TYR A 77 9.150 1.311 3.298 1.00 21.11 H new ATOM 0 HB2 TYR A 77 8.605 1.634 0.894 1.00 41.12 H new ATOM 0 HB3 TYR A 77 8.265 0.010 1.458 1.00 41.12 H new ATOM 0 HD1 TYR A 77 6.656 3.234 0.467 1.00 52.03 H new ATOM 0 HD2 TYR A 77 5.993 -0.897 1.344 1.00 43.31 H new ATOM 0 HE1 TYR A 77 4.402 3.394 -0.478 1.00 60.22 H new ATOM 0 HE2 TYR A 77 3.724 -0.720 0.419 1.00 51.12 H new ATOM 0 HH TYR A 77 2.105 0.725 -0.261 1.00 43.12 H new ATOM 1188 N THR A 78 8.686 3.826 2.386 1.00 72.22 N ATOM 1189 CA THR A 78 8.551 5.303 2.272 1.00 73.14 C ATOM 1190 C THR A 78 9.333 5.790 1.040 1.00 11.51 C ATOM 1191 O THR A 78 10.302 5.143 0.637 1.00 23.35 O ATOM 1192 CB THR A 78 9.077 6.070 3.540 1.00 42.32 C ATOM 1193 OG1 THR A 78 8.968 7.493 3.332 1.00 31.21 O ATOM 1194 CG2 THR A 78 10.540 5.721 3.876 1.00 40.22 C ATOM 0 H THR A 78 9.455 3.451 1.830 1.00 72.22 H new ATOM 0 HA THR A 78 7.487 5.518 2.178 1.00 73.14 H new ATOM 0 HB THR A 78 8.458 5.757 4.381 1.00 42.32 H new ATOM 0 HG1 THR A 78 8.578 7.911 4.128 1.00 31.21 H new ATOM 0 HG21 THR A 78 10.853 6.278 4.759 1.00 40.22 H new ATOM 0 HG22 THR A 78 10.623 4.652 4.072 1.00 40.22 H new ATOM 0 HG23 THR A 78 11.180 5.986 3.034 1.00 40.22 H new ATOM 1202 N MET A 79 8.923 6.917 0.438 1.00 54.25 N ATOM 1203 CA MET A 79 9.657 7.510 -0.699 1.00 51.14 C ATOM 1204 C MET A 79 10.710 8.534 -0.189 1.00 43.52 C ATOM 1205 O MET A 79 10.334 9.593 0.325 1.00 61.33 O ATOM 1206 CB MET A 79 8.690 8.189 -1.709 1.00 61.50 C ATOM 1207 CG MET A 79 7.539 7.293 -2.206 1.00 64.52 C ATOM 1208 SD MET A 79 6.221 7.105 -0.981 1.00 4.10 S ATOM 1209 CE MET A 79 5.624 8.796 -0.834 1.00 32.24 C ATOM 0 H MET A 79 8.091 7.437 0.716 1.00 54.25 H new ATOM 0 HA MET A 79 10.171 6.702 -1.220 1.00 51.14 H new ATOM 0 HB2 MET A 79 8.264 9.077 -1.242 1.00 61.50 H new ATOM 0 HB3 MET A 79 9.266 8.527 -2.570 1.00 61.50 H new ATOM 0 HG2 MET A 79 7.122 7.717 -3.120 1.00 64.52 H new ATOM 0 HG3 MET A 79 7.934 6.310 -2.462 1.00 64.52 H new ATOM 0 HE1 MET A 79 4.594 8.788 -0.478 1.00 32.24 H new ATOM 0 HE2 MET A 79 6.248 9.342 -0.127 1.00 32.24 H new ATOM 0 HE3 MET A 79 5.668 9.283 -1.808 1.00 32.24 H new ATOM 1219 N PRO A 80 12.055 8.225 -0.284 1.00 2.22 N ATOM 1220 CA PRO A 80 13.130 9.213 0.013 1.00 32.14 C ATOM 1221 C PRO A 80 13.125 10.391 -0.994 1.00 73.10 C ATOM 1222 O PRO A 80 13.627 11.480 -0.697 1.00 35.44 O ATOM 1223 CB PRO A 80 14.434 8.369 -0.077 1.00 22.22 C ATOM 1224 CG PRO A 80 14.075 7.205 -0.951 1.00 13.30 C ATOM 1225 CD PRO A 80 12.625 6.905 -0.648 1.00 31.13 C ATOM 0 HA PRO A 80 13.008 9.691 0.985 1.00 32.14 H new ATOM 0 HB2 PRO A 80 15.252 8.948 -0.505 1.00 22.22 H new ATOM 0 HB3 PRO A 80 14.760 8.038 0.909 1.00 22.22 H new ATOM 0 HG2 PRO A 80 14.214 7.448 -2.005 1.00 13.30 H new ATOM 0 HG3 PRO A 80 14.707 6.343 -0.736 1.00 13.30 H new ATOM 0 HD2 PRO A 80 12.117 6.475 -1.511 1.00 31.13 H new ATOM 0 HD3 PRO A 80 12.527 6.189 0.168 1.00 31.13 H new ATOM 1233 N ASP A 81 12.520 10.159 -2.173 1.00 31.02 N ATOM 1234 CA ASP A 81 12.287 11.193 -3.194 1.00 14.20 C ATOM 1235 C ASP A 81 10.759 11.274 -3.518 1.00 62.40 C ATOM 1236 O ASP A 81 10.286 10.649 -4.475 1.00 53.31 O ATOM 1237 CB ASP A 81 13.149 10.865 -4.443 1.00 53.14 C ATOM 1238 CG ASP A 81 13.031 11.898 -5.573 1.00 50.14 C ATOM 1239 OD1 ASP A 81 13.659 12.972 -5.476 1.00 61.22 O ATOM 1240 OD2 ASP A 81 12.323 11.639 -6.566 1.00 33.55 O ATOM 0 H ASP A 81 12.176 9.238 -2.445 1.00 31.02 H new ATOM 0 HA ASP A 81 12.587 12.176 -2.832 1.00 14.20 H new ATOM 0 HB2 ASP A 81 14.194 10.790 -4.141 1.00 53.14 H new ATOM 0 HB3 ASP A 81 12.857 9.887 -4.827 1.00 53.14 H new ATOM 1245 N PRO A 82 9.944 11.985 -2.658 1.00 21.33 N ATOM 1246 CA PRO A 82 8.502 12.202 -2.907 1.00 13.53 C ATOM 1247 C PRO A 82 8.200 13.567 -3.618 1.00 11.51 C ATOM 1248 O PRO A 82 8.781 14.602 -3.264 1.00 65.50 O ATOM 1249 CB PRO A 82 7.931 12.160 -1.470 1.00 42.34 C ATOM 1250 CG PRO A 82 9.017 12.754 -0.599 1.00 61.41 C ATOM 1251 CD PRO A 82 10.338 12.597 -1.358 1.00 74.21 C ATOM 0 HA PRO A 82 8.067 11.468 -3.585 1.00 13.53 H new ATOM 0 HB2 PRO A 82 7.007 12.734 -1.395 1.00 42.34 H new ATOM 0 HB3 PRO A 82 7.697 11.139 -1.168 1.00 42.34 H new ATOM 0 HG2 PRO A 82 8.814 13.805 -0.393 1.00 61.41 H new ATOM 0 HG3 PRO A 82 9.062 12.243 0.363 1.00 61.41 H new ATOM 0 HD2 PRO A 82 10.830 13.559 -1.504 1.00 74.21 H new ATOM 0 HD3 PRO A 82 11.036 11.961 -0.814 1.00 74.21 H new ATOM 1259 N PRO A 83 7.279 13.597 -4.638 1.00 52.33 N ATOM 1260 CA PRO A 83 6.863 14.858 -5.315 1.00 10.50 C ATOM 1261 C PRO A 83 5.709 15.607 -4.578 1.00 40.04 C ATOM 1262 O PRO A 83 5.103 16.528 -5.130 1.00 61.32 O ATOM 1263 CB PRO A 83 6.429 14.342 -6.702 1.00 5.41 C ATOM 1264 CG PRO A 83 5.830 12.992 -6.428 1.00 13.42 C ATOM 1265 CD PRO A 83 6.610 12.413 -5.252 1.00 11.14 C ATOM 0 HA PRO A 83 7.655 15.606 -5.344 1.00 10.50 H new ATOM 0 HB2 PRO A 83 5.705 15.011 -7.166 1.00 5.41 H new ATOM 0 HB3 PRO A 83 7.278 14.270 -7.382 1.00 5.41 H new ATOM 0 HG2 PRO A 83 4.770 13.077 -6.188 1.00 13.42 H new ATOM 0 HG3 PRO A 83 5.908 12.346 -7.303 1.00 13.42 H new ATOM 0 HD2 PRO A 83 5.949 11.916 -4.542 1.00 11.14 H new ATOM 0 HD3 PRO A 83 7.337 11.672 -5.583 1.00 11.14 H new ATOM 1273 N PHE A 84 5.411 15.185 -3.333 1.00 65.23 N ATOM 1274 CA PHE A 84 4.396 15.828 -2.458 1.00 70.54 C ATOM 1275 C PHE A 84 5.098 16.584 -1.299 1.00 40.11 C ATOM 1276 O PHE A 84 6.136 16.113 -0.812 1.00 62.12 O ATOM 1277 CB PHE A 84 3.433 14.750 -1.883 1.00 42.01 C ATOM 1278 CG PHE A 84 2.710 13.927 -2.950 1.00 35.01 C ATOM 1279 CD1 PHE A 84 1.536 14.394 -3.547 1.00 73.01 C ATOM 1280 CD2 PHE A 84 3.214 12.693 -3.368 1.00 51.12 C ATOM 1281 CE1 PHE A 84 0.889 13.651 -4.520 1.00 71.35 C ATOM 1282 CE2 PHE A 84 2.566 11.951 -4.339 1.00 31.22 C ATOM 1283 CZ PHE A 84 1.404 12.429 -4.917 1.00 50.31 C ATOM 0 H PHE A 84 5.868 14.383 -2.898 1.00 65.23 H new ATOM 0 HA PHE A 84 3.819 16.541 -3.048 1.00 70.54 H new ATOM 0 HB2 PHE A 84 4.001 14.076 -1.242 1.00 42.01 H new ATOM 0 HB3 PHE A 84 2.691 15.240 -1.252 1.00 42.01 H new ATOM 0 HD1 PHE A 84 1.128 15.347 -3.245 1.00 73.01 H new ATOM 0 HD2 PHE A 84 4.123 12.313 -2.926 1.00 51.12 H new ATOM 0 HE1 PHE A 84 -0.019 14.025 -4.970 1.00 71.35 H new ATOM 0 HE2 PHE A 84 2.968 10.997 -4.646 1.00 31.22 H new ATOM 0 HZ PHE A 84 0.900 11.850 -5.676 1.00 50.31 H new ATOM 1293 N PRO A 85 4.550 17.763 -0.835 1.00 54.34 N ATOM 1294 CA PRO A 85 5.133 18.534 0.304 1.00 61.21 C ATOM 1295 C PRO A 85 4.815 17.881 1.685 1.00 43.24 C ATOM 1296 O PRO A 85 4.105 18.450 2.523 1.00 54.02 O ATOM 1297 CB PRO A 85 4.470 19.929 0.135 1.00 72.12 C ATOM 1298 CG PRO A 85 3.126 19.632 -0.468 1.00 71.41 C ATOM 1299 CD PRO A 85 3.340 18.446 -1.391 1.00 31.53 C ATOM 0 HA PRO A 85 6.222 18.573 0.289 1.00 61.21 H new ATOM 0 HB2 PRO A 85 4.372 20.441 1.092 1.00 72.12 H new ATOM 0 HB3 PRO A 85 5.063 20.575 -0.513 1.00 72.12 H new ATOM 0 HG2 PRO A 85 2.394 19.399 0.305 1.00 71.41 H new ATOM 0 HG3 PRO A 85 2.746 20.492 -1.019 1.00 71.41 H new ATOM 0 HD2 PRO A 85 2.475 17.783 -1.395 1.00 31.53 H new ATOM 0 HD3 PRO A 85 3.501 18.766 -2.420 1.00 31.53 H new ATOM 1307 N ILE A 86 5.367 16.671 1.901 1.00 12.54 N ATOM 1308 CA ILE A 86 5.087 15.829 3.085 1.00 55.14 C ATOM 1309 C ILE A 86 6.394 15.493 3.848 1.00 65.44 C ATOM 1310 O ILE A 86 7.391 15.089 3.241 1.00 5.20 O ATOM 1311 CB ILE A 86 4.338 14.501 2.654 1.00 74.43 C ATOM 1312 CG1 ILE A 86 5.173 13.668 1.611 1.00 73.00 C ATOM 1313 CG2 ILE A 86 2.929 14.831 2.103 1.00 22.23 C ATOM 1314 CD1 ILE A 86 4.503 12.396 1.103 1.00 34.40 C ATOM 0 H ILE A 86 6.028 16.244 1.252 1.00 12.54 H new ATOM 0 HA ILE A 86 4.439 16.392 3.757 1.00 55.14 H new ATOM 0 HB ILE A 86 4.227 13.879 3.542 1.00 74.43 H new ATOM 0 HG12 ILE A 86 5.396 14.307 0.757 1.00 73.00 H new ATOM 0 HG13 ILE A 86 6.126 13.399 2.066 1.00 73.00 H new ATOM 0 HG21 ILE A 86 2.427 13.908 1.811 1.00 22.23 H new ATOM 0 HG22 ILE A 86 2.345 15.333 2.874 1.00 22.23 H new ATOM 0 HG23 ILE A 86 3.021 15.484 1.235 1.00 22.23 H new ATOM 0 HD11 ILE A 86 5.161 11.898 0.391 1.00 34.40 H new ATOM 0 HD12 ILE A 86 4.305 11.729 1.942 1.00 34.40 H new ATOM 0 HD13 ILE A 86 3.564 12.651 0.612 1.00 34.40 H new ATOM 1326 N THR A 87 6.385 15.679 5.178 1.00 71.42 N ATOM 1327 CA THR A 87 7.543 15.339 6.032 1.00 33.10 C ATOM 1328 C THR A 87 7.587 13.813 6.284 1.00 70.21 C ATOM 1329 O THR A 87 6.552 13.212 6.593 1.00 2.34 O ATOM 1330 CB THR A 87 7.487 16.085 7.402 1.00 64.34 C ATOM 1331 OG1 THR A 87 7.297 17.489 7.187 1.00 2.31 O ATOM 1332 CG2 THR A 87 8.754 15.873 8.250 1.00 51.12 C ATOM 0 H THR A 87 5.590 16.063 5.689 1.00 71.42 H new ATOM 0 HA THR A 87 8.443 15.656 5.505 1.00 33.10 H new ATOM 0 HB THR A 87 6.647 15.664 7.954 1.00 64.34 H new ATOM 0 HG1 THR A 87 6.348 17.710 7.291 1.00 2.31 H new ATOM 0 HG21 THR A 87 8.657 16.415 9.191 1.00 51.12 H new ATOM 0 HG22 THR A 87 8.881 14.810 8.455 1.00 51.12 H new ATOM 0 HG23 THR A 87 9.623 16.243 7.705 1.00 51.12 H new ATOM 1340 N ASN A 88 8.798 13.246 6.143 1.00 51.05 N ATOM 1341 CA ASN A 88 9.174 11.812 6.336 1.00 34.34 C ATOM 1342 C ASN A 88 8.357 10.801 5.472 1.00 63.01 C ATOM 1343 O ASN A 88 8.925 10.163 4.573 1.00 14.23 O ATOM 1344 CB ASN A 88 9.265 11.382 7.843 1.00 35.20 C ATOM 1345 CG ASN A 88 7.963 11.450 8.643 1.00 0.25 C ATOM 1346 OD1 ASN A 88 7.659 12.447 9.287 1.00 21.31 O ATOM 1347 ND2 ASN A 88 7.173 10.394 8.596 1.00 62.24 N ATOM 0 H ASN A 88 9.605 13.807 5.872 1.00 51.05 H new ATOM 0 HA ASN A 88 10.189 11.759 5.943 1.00 34.34 H new ATOM 0 HB2 ASN A 88 9.641 10.360 7.886 1.00 35.20 H new ATOM 0 HB3 ASN A 88 10.004 12.014 8.336 1.00 35.20 H new ATOM 0 HD21 ASN A 88 6.288 10.396 9.103 1.00 62.24 H new ATOM 0 HD22 ASN A 88 7.448 9.575 8.053 1.00 62.24 H new ATOM 1354 N HIS A 89 7.045 10.666 5.766 1.00 51.14 N ATOM 1355 CA HIS A 89 6.126 9.677 5.153 1.00 11.35 C ATOM 1356 C HIS A 89 6.468 8.230 5.598 1.00 25.21 C ATOM 1357 O HIS A 89 7.626 7.910 5.893 1.00 51.11 O ATOM 1358 CB HIS A 89 6.070 9.799 3.602 1.00 12.35 C ATOM 1359 CG HIS A 89 5.020 8.920 2.973 1.00 62.22 C ATOM 1360 ND1 HIS A 89 5.307 7.648 2.547 1.00 4.11 N ATOM 1361 CD2 HIS A 89 3.701 9.159 2.781 1.00 25.11 C ATOM 1362 CE1 HIS A 89 4.169 7.145 2.117 1.00 12.23 C ATOM 1363 NE2 HIS A 89 3.168 8.024 2.238 1.00 41.31 N ATOM 0 H HIS A 89 6.582 11.258 6.455 1.00 51.14 H new ATOM 0 HA HIS A 89 5.127 9.909 5.521 1.00 11.35 H new ATOM 0 HB2 HIS A 89 5.874 10.837 3.333 1.00 12.35 H new ATOM 0 HB3 HIS A 89 7.045 9.541 3.189 1.00 12.35 H new ATOM 0 HD1 HIS A 89 6.216 7.186 2.561 1.00 4.11 H new ATOM 0 HD2 HIS A 89 3.172 10.072 3.013 1.00 25.11 H new ATOM 0 HE1 HIS A 89 4.058 6.148 1.717 1.00 12.23 H new ATOM 1371 N ARG A 90 5.438 7.373 5.697 1.00 24.13 N ATOM 1372 CA ARG A 90 5.607 5.950 6.048 1.00 33.35 C ATOM 1373 C ARG A 90 4.308 5.172 5.702 1.00 0.13 C ATOM 1374 O ARG A 90 3.294 5.350 6.368 1.00 21.23 O ATOM 1375 CB ARG A 90 5.956 5.848 7.565 1.00 31.03 C ATOM 1376 CG ARG A 90 6.567 4.507 8.004 1.00 5.24 C ATOM 1377 CD ARG A 90 7.004 4.522 9.485 1.00 22.43 C ATOM 1378 NE ARG A 90 7.764 3.323 9.884 1.00 74.23 N ATOM 1379 CZ ARG A 90 7.252 2.189 10.313 1.00 74.41 C ATOM 1380 NH1 ARG A 90 5.969 1.984 10.303 1.00 54.34 N ATOM 1381 NH2 ARG A 90 8.038 1.244 10.699 1.00 64.23 N ATOM 0 H ARG A 90 4.468 7.644 5.537 1.00 24.13 H new ATOM 0 HA ARG A 90 6.421 5.504 5.475 1.00 33.35 H new ATOM 0 HB2 ARG A 90 6.653 6.647 7.816 1.00 31.03 H new ATOM 0 HB3 ARG A 90 5.049 6.023 8.143 1.00 31.03 H new ATOM 0 HG2 ARG A 90 5.839 3.710 7.850 1.00 5.24 H new ATOM 0 HG3 ARG A 90 7.428 4.279 7.375 1.00 5.24 H new ATOM 0 HD2 ARG A 90 7.614 5.407 9.667 1.00 22.43 H new ATOM 0 HD3 ARG A 90 6.120 4.609 10.116 1.00 22.43 H new ATOM 0 HE ARG A 90 8.781 3.378 9.822 1.00 74.23 H new ATOM 0 HH11 ARG A 90 5.339 2.709 9.958 1.00 54.34 H new ATOM 0 HH12 ARG A 90 5.591 1.098 10.640 1.00 54.34 H new ATOM 0 HH21 ARG A 90 9.049 1.378 10.671 1.00 64.23 H new ATOM 0 HH22 ARG A 90 7.649 0.362 11.033 1.00 64.23 H new ATOM 1395 N ALA A 91 4.337 4.339 4.643 1.00 64.44 N ATOM 1396 CA ALA A 91 3.155 3.549 4.193 1.00 63.23 C ATOM 1397 C ALA A 91 3.315 2.042 4.498 1.00 55.01 C ATOM 1398 O ALA A 91 4.422 1.516 4.450 1.00 41.12 O ATOM 1399 CB ALA A 91 2.910 3.775 2.694 1.00 33.30 C ATOM 0 H ALA A 91 5.170 4.190 4.074 1.00 64.44 H new ATOM 0 HA ALA A 91 2.289 3.899 4.754 1.00 63.23 H new ATOM 0 HB1 ALA A 91 2.045 3.194 2.375 1.00 33.30 H new ATOM 0 HB2 ALA A 91 2.724 4.833 2.511 1.00 33.30 H new ATOM 0 HB3 ALA A 91 3.787 3.459 2.130 1.00 33.30 H new ATOM 1405 N VAL A 92 2.193 1.353 4.810 1.00 73.03 N ATOM 1406 CA VAL A 92 2.203 -0.078 5.205 1.00 1.34 C ATOM 1407 C VAL A 92 1.046 -0.911 4.561 1.00 64.21 C ATOM 1408 O VAL A 92 -0.063 -0.415 4.363 1.00 31.23 O ATOM 1409 CB VAL A 92 2.182 -0.215 6.780 1.00 34.31 C ATOM 1410 CG1 VAL A 92 0.937 0.455 7.408 1.00 31.03 C ATOM 1411 CG2 VAL A 92 2.312 -1.689 7.235 1.00 75.24 C ATOM 0 H VAL A 92 1.261 1.768 4.796 1.00 73.03 H new ATOM 0 HA VAL A 92 3.130 -0.499 4.816 1.00 1.34 H new ATOM 0 HB VAL A 92 3.058 0.320 7.147 1.00 34.31 H new ATOM 0 HG11 VAL A 92 0.967 0.335 8.491 1.00 31.03 H new ATOM 0 HG12 VAL A 92 0.931 1.517 7.161 1.00 31.03 H new ATOM 0 HG13 VAL A 92 0.035 -0.014 7.016 1.00 31.03 H new ATOM 0 HG21 VAL A 92 2.293 -1.737 8.324 1.00 75.24 H new ATOM 0 HG22 VAL A 92 1.482 -2.269 6.832 1.00 75.24 H new ATOM 0 HG23 VAL A 92 3.253 -2.101 6.870 1.00 75.24 H new ATOM 1421 N LEU A 93 1.354 -2.193 4.228 1.00 10.24 N ATOM 1422 CA LEU A 93 0.376 -3.224 3.805 1.00 15.53 C ATOM 1423 C LEU A 93 0.174 -4.243 4.958 1.00 60.43 C ATOM 1424 O LEU A 93 1.093 -4.991 5.294 1.00 35.25 O ATOM 1425 CB LEU A 93 0.856 -3.969 2.504 1.00 20.42 C ATOM 1426 CG LEU A 93 0.292 -3.450 1.143 1.00 34.15 C ATOM 1427 CD1 LEU A 93 -1.249 -3.491 1.128 1.00 42.30 C ATOM 1428 CD2 LEU A 93 0.822 -2.049 0.787 1.00 13.25 C ATOM 0 H LEU A 93 2.312 -2.543 4.248 1.00 10.24 H new ATOM 0 HA LEU A 93 -0.569 -2.732 3.576 1.00 15.53 H new ATOM 0 HB2 LEU A 93 1.944 -3.914 2.463 1.00 20.42 H new ATOM 0 HB3 LEU A 93 0.594 -5.023 2.600 1.00 20.42 H new ATOM 0 HG LEU A 93 0.653 -4.127 0.369 1.00 34.15 H new ATOM 0 HD11 LEU A 93 -1.613 -3.124 0.168 1.00 42.30 H new ATOM 0 HD12 LEU A 93 -1.587 -4.517 1.276 1.00 42.30 H new ATOM 0 HD13 LEU A 93 -1.638 -2.861 1.928 1.00 42.30 H new ATOM 0 HD21 LEU A 93 0.401 -1.732 -0.167 1.00 13.25 H new ATOM 0 HD22 LEU A 93 0.532 -1.342 1.564 1.00 13.25 H new ATOM 0 HD23 LEU A 93 1.909 -2.079 0.712 1.00 13.25 H new ATOM 1440 N GLU A 94 -1.025 -4.249 5.557 1.00 72.21 N ATOM 1441 CA GLU A 94 -1.406 -5.176 6.651 1.00 44.54 C ATOM 1442 C GLU A 94 -2.607 -6.050 6.215 1.00 23.40 C ATOM 1443 O GLU A 94 -3.707 -5.534 6.018 1.00 43.14 O ATOM 1444 CB GLU A 94 -1.790 -4.357 7.919 1.00 65.24 C ATOM 1445 CG GLU A 94 -0.654 -3.479 8.482 1.00 63.05 C ATOM 1446 CD GLU A 94 -1.100 -2.559 9.631 1.00 61.11 C ATOM 1447 OE1 GLU A 94 -1.200 -3.033 10.781 1.00 23.44 O ATOM 1448 OE2 GLU A 94 -1.349 -1.356 9.397 1.00 25.04 O ATOM 0 H GLU A 94 -1.772 -3.605 5.298 1.00 72.21 H new ATOM 0 HA GLU A 94 -0.559 -5.824 6.878 1.00 44.54 H new ATOM 0 HB2 GLU A 94 -2.641 -3.719 7.680 1.00 65.24 H new ATOM 0 HB3 GLU A 94 -2.118 -5.047 8.696 1.00 65.24 H new ATOM 0 HG2 GLU A 94 0.151 -4.123 8.835 1.00 63.05 H new ATOM 0 HG3 GLU A 94 -0.244 -2.869 7.677 1.00 63.05 H new ATOM 1455 N VAL A 95 -2.403 -7.373 6.068 1.00 0.40 N ATOM 1456 CA VAL A 95 -3.506 -8.293 5.693 1.00 34.42 C ATOM 1457 C VAL A 95 -4.163 -8.889 6.966 1.00 40.35 C ATOM 1458 O VAL A 95 -3.550 -9.682 7.685 1.00 53.00 O ATOM 1459 CB VAL A 95 -3.027 -9.449 4.741 1.00 24.32 C ATOM 1460 CG1 VAL A 95 -4.231 -10.287 4.230 1.00 2.15 C ATOM 1461 CG2 VAL A 95 -2.211 -8.887 3.556 1.00 41.41 C ATOM 0 H VAL A 95 -1.500 -7.829 6.200 1.00 0.40 H new ATOM 0 HA VAL A 95 -4.241 -7.705 5.143 1.00 34.42 H new ATOM 0 HB VAL A 95 -2.378 -10.108 5.318 1.00 24.32 H new ATOM 0 HG11 VAL A 95 -3.871 -11.079 3.574 1.00 2.15 H new ATOM 0 HG12 VAL A 95 -4.753 -10.728 5.079 1.00 2.15 H new ATOM 0 HG13 VAL A 95 -4.915 -9.642 3.678 1.00 2.15 H new ATOM 0 HG21 VAL A 95 -1.892 -9.707 2.913 1.00 41.41 H new ATOM 0 HG22 VAL A 95 -2.830 -8.196 2.983 1.00 41.41 H new ATOM 0 HG23 VAL A 95 -1.335 -8.361 3.935 1.00 41.41 H new ATOM 1471 N VAL A 96 -5.422 -8.495 7.218 1.00 51.00 N ATOM 1472 CA VAL A 96 -6.194 -8.882 8.420 1.00 33.42 C ATOM 1473 C VAL A 96 -7.206 -10.024 8.090 1.00 63.32 C ATOM 1474 O VAL A 96 -8.089 -9.833 7.251 1.00 24.33 O ATOM 1475 CB VAL A 96 -6.969 -7.627 8.984 1.00 12.45 C ATOM 1476 CG1 VAL A 96 -7.837 -7.982 10.222 1.00 24.02 C ATOM 1477 CG2 VAL A 96 -5.991 -6.462 9.299 1.00 63.01 C ATOM 0 H VAL A 96 -5.944 -7.889 6.585 1.00 51.00 H new ATOM 0 HA VAL A 96 -5.496 -9.249 9.173 1.00 33.42 H new ATOM 0 HB VAL A 96 -7.652 -7.295 8.202 1.00 12.45 H new ATOM 0 HG11 VAL A 96 -8.351 -7.088 10.575 1.00 24.02 H new ATOM 0 HG12 VAL A 96 -8.572 -8.738 9.946 1.00 24.02 H new ATOM 0 HG13 VAL A 96 -7.198 -8.370 11.015 1.00 24.02 H new ATOM 0 HG21 VAL A 96 -6.552 -5.611 9.686 1.00 63.01 H new ATOM 0 HG22 VAL A 96 -5.265 -6.788 10.044 1.00 63.01 H new ATOM 0 HG23 VAL A 96 -5.469 -6.169 8.388 1.00 63.01 H new ATOM 1487 N PRO A 97 -7.097 -11.230 8.743 1.00 64.40 N ATOM 1488 CA PRO A 97 -8.058 -12.350 8.524 1.00 41.23 C ATOM 1489 C PRO A 97 -9.471 -12.062 9.124 1.00 65.13 C ATOM 1490 O PRO A 97 -9.655 -12.022 10.345 1.00 41.14 O ATOM 1491 CB PRO A 97 -7.358 -13.553 9.214 1.00 22.42 C ATOM 1492 CG PRO A 97 -6.502 -12.931 10.280 1.00 43.32 C ATOM 1493 CD PRO A 97 -6.034 -11.603 9.714 1.00 53.13 C ATOM 0 HA PRO A 97 -8.264 -12.524 7.468 1.00 41.23 H new ATOM 0 HB2 PRO A 97 -8.085 -14.243 9.642 1.00 22.42 H new ATOM 0 HB3 PRO A 97 -6.757 -14.122 8.505 1.00 22.42 H new ATOM 0 HG2 PRO A 97 -7.068 -12.786 11.200 1.00 43.32 H new ATOM 0 HG3 PRO A 97 -5.655 -13.572 10.524 1.00 43.32 H new ATOM 0 HD2 PRO A 97 -5.927 -10.852 10.496 1.00 53.13 H new ATOM 0 HD3 PRO A 97 -5.064 -11.697 9.227 1.00 53.13 H new ATOM 1501 N ARG A 98 -10.446 -11.806 8.235 1.00 30.10 N ATOM 1502 CA ARG A 98 -11.878 -11.635 8.598 1.00 74.40 C ATOM 1503 C ARG A 98 -12.605 -12.995 8.642 1.00 55.42 C ATOM 1504 O ARG A 98 -13.394 -13.275 9.551 1.00 34.40 O ATOM 1505 CB ARG A 98 -12.548 -10.706 7.550 1.00 40.21 C ATOM 1506 CG ARG A 98 -12.100 -9.230 7.633 1.00 45.32 C ATOM 1507 CD ARG A 98 -12.874 -8.413 8.691 1.00 15.13 C ATOM 1508 NE ARG A 98 -14.276 -8.206 8.284 1.00 51.44 N ATOM 1509 CZ ARG A 98 -15.227 -7.675 9.018 1.00 61.33 C ATOM 1510 NH1 ARG A 98 -15.023 -7.335 10.250 1.00 24.13 N ATOM 1511 NH2 ARG A 98 -16.392 -7.481 8.492 1.00 72.10 N ATOM 0 H ARG A 98 -10.269 -11.710 7.235 1.00 30.10 H new ATOM 0 HA ARG A 98 -11.945 -11.191 9.591 1.00 74.40 H new ATOM 0 HB2 ARG A 98 -12.328 -11.085 6.552 1.00 40.21 H new ATOM 0 HB3 ARG A 98 -13.629 -10.753 7.678 1.00 40.21 H new ATOM 0 HG2 ARG A 98 -11.035 -9.194 7.864 1.00 45.32 H new ATOM 0 HG3 ARG A 98 -12.231 -8.763 6.657 1.00 45.32 H new ATOM 0 HD2 ARG A 98 -12.844 -8.932 9.649 1.00 15.13 H new ATOM 0 HD3 ARG A 98 -12.388 -7.448 8.836 1.00 15.13 H new ATOM 0 HE ARG A 98 -14.532 -8.504 7.342 1.00 51.44 H new ATOM 0 HH11 ARG A 98 -14.106 -7.478 10.673 1.00 24.13 H new ATOM 0 HH12 ARG A 98 -15.779 -6.924 10.798 1.00 24.13 H new ATOM 0 HH21 ARG A 98 -16.562 -7.739 7.520 1.00 72.10 H new ATOM 0 HH22 ARG A 98 -17.141 -7.070 9.049 1.00 72.10 H new ATOM 1525 N ASP A 99 -12.304 -13.828 7.638 1.00 53.34 N ATOM 1526 CA ASP A 99 -12.946 -15.138 7.420 1.00 35.21 C ATOM 1527 C ASP A 99 -11.866 -16.164 6.961 1.00 74.11 C ATOM 1528 O ASP A 99 -10.678 -15.820 6.851 1.00 73.22 O ATOM 1529 CB ASP A 99 -14.076 -14.935 6.367 1.00 42.41 C ATOM 1530 CG ASP A 99 -14.936 -16.179 6.082 1.00 73.04 C ATOM 1531 OD1 ASP A 99 -15.854 -16.470 6.868 1.00 51.55 O ATOM 1532 OD2 ASP A 99 -14.689 -16.866 5.066 1.00 31.21 O ATOM 0 H ASP A 99 -11.594 -13.610 6.939 1.00 53.34 H new ATOM 0 HA ASP A 99 -13.392 -15.537 8.331 1.00 35.21 H new ATOM 0 HB2 ASP A 99 -14.729 -14.132 6.708 1.00 42.41 H new ATOM 0 HB3 ASP A 99 -13.624 -14.603 5.432 1.00 42.41 H new ATOM 1537 N ASP A 100 -12.266 -17.425 6.735 1.00 0.45 N ATOM 1538 CA ASP A 100 -11.365 -18.476 6.219 1.00 73.30 C ATOM 1539 C ASP A 100 -11.074 -18.268 4.715 1.00 12.41 C ATOM 1540 O ASP A 100 -9.919 -18.294 4.285 1.00 15.31 O ATOM 1541 CB ASP A 100 -11.996 -19.862 6.465 1.00 32.00 C ATOM 1542 CG ASP A 100 -12.412 -20.048 7.927 1.00 62.01 C ATOM 1543 OD1 ASP A 100 -11.523 -20.123 8.798 1.00 24.30 O ATOM 1544 OD2 ASP A 100 -13.628 -20.088 8.220 1.00 52.30 O ATOM 0 H ASP A 100 -13.219 -17.747 6.903 1.00 0.45 H new ATOM 0 HA ASP A 100 -10.415 -18.416 6.750 1.00 73.30 H new ATOM 0 HB2 ASP A 100 -12.867 -19.984 5.821 1.00 32.00 H new ATOM 0 HB3 ASP A 100 -11.284 -20.639 6.188 1.00 32.00 H new ATOM 1549 N ARG A 101 -12.146 -18.051 3.932 1.00 63.42 N ATOM 1550 CA ARG A 101 -12.072 -17.859 2.463 1.00 23.11 C ATOM 1551 C ARG A 101 -12.047 -16.342 2.097 1.00 43.14 C ATOM 1552 O ARG A 101 -11.952 -15.985 0.928 1.00 23.30 O ATOM 1553 CB ARG A 101 -13.285 -18.610 1.803 1.00 2.04 C ATOM 1554 CG ARG A 101 -13.108 -19.077 0.320 1.00 73.13 C ATOM 1555 CD ARG A 101 -13.507 -18.031 -0.747 1.00 13.12 C ATOM 1556 NE ARG A 101 -13.350 -18.559 -2.116 1.00 23.35 N ATOM 1557 CZ ARG A 101 -13.461 -17.861 -3.231 1.00 34.13 C ATOM 1558 NH1 ARG A 101 -13.721 -16.591 -3.218 1.00 20.15 N ATOM 1559 NH2 ARG A 101 -13.307 -18.462 -4.367 1.00 63.21 N ATOM 0 H ARG A 101 -13.097 -18.003 4.298 1.00 63.42 H new ATOM 0 HA ARG A 101 -11.144 -18.279 2.076 1.00 23.11 H new ATOM 0 HB2 ARG A 101 -13.512 -19.487 2.410 1.00 2.04 H new ATOM 0 HB3 ARG A 101 -14.155 -17.956 1.851 1.00 2.04 H new ATOM 0 HG2 ARG A 101 -12.065 -19.353 0.164 1.00 73.13 H new ATOM 0 HG3 ARG A 101 -13.703 -19.977 0.165 1.00 73.13 H new ATOM 0 HD2 ARG A 101 -14.542 -17.728 -0.590 1.00 13.12 H new ATOM 0 HD3 ARG A 101 -12.893 -17.138 -0.629 1.00 13.12 H new ATOM 0 HE ARG A 101 -13.137 -19.552 -2.209 1.00 23.35 H new ATOM 0 HH11 ARG A 101 -13.846 -16.105 -2.330 1.00 20.15 H new ATOM 0 HH12 ARG A 101 -13.801 -16.078 -4.096 1.00 20.15 H new ATOM 0 HH21 ARG A 101 -13.103 -19.461 -4.392 1.00 63.21 H new ATOM 0 HH22 ARG A 101 -13.390 -17.937 -5.237 1.00 63.21 H new ATOM 1573 N HIS A 102 -12.125 -15.441 3.106 1.00 24.22 N ATOM 1574 CA HIS A 102 -12.162 -13.961 2.871 1.00 74.20 C ATOM 1575 C HIS A 102 -11.222 -13.226 3.857 1.00 33.23 C ATOM 1576 O HIS A 102 -10.897 -13.751 4.924 1.00 45.13 O ATOM 1577 CB HIS A 102 -13.611 -13.404 3.008 1.00 5.43 C ATOM 1578 CG HIS A 102 -14.650 -14.213 2.280 1.00 34.01 C ATOM 1579 ND1 HIS A 102 -15.514 -15.065 2.927 1.00 13.54 N ATOM 1580 CD2 HIS A 102 -14.945 -14.323 0.968 1.00 0.14 C ATOM 1581 CE1 HIS A 102 -16.281 -15.668 2.054 1.00 50.21 C ATOM 1582 NE2 HIS A 102 -15.963 -15.238 0.860 1.00 63.44 N ATOM 0 H HIS A 102 -12.164 -15.704 4.091 1.00 24.22 H new ATOM 0 HA HIS A 102 -11.818 -13.782 1.852 1.00 74.20 H new ATOM 0 HB2 HIS A 102 -13.874 -13.361 4.065 1.00 5.43 H new ATOM 0 HB3 HIS A 102 -13.633 -12.381 2.632 1.00 5.43 H new ATOM 0 HD2 HIS A 102 -14.470 -13.792 0.156 1.00 0.14 H new ATOM 0 HE1 HIS A 102 -17.046 -16.396 2.281 1.00 50.21 H new ATOM 0 HE2 HIS A 102 -16.401 -15.535 -0.012 1.00 63.44 H new ATOM 1591 N CYS A 103 -10.810 -11.999 3.501 1.00 73.33 N ATOM 1592 CA CYS A 103 -9.897 -11.178 4.345 1.00 51.13 C ATOM 1593 C CYS A 103 -10.039 -9.677 4.035 1.00 65.53 C ATOM 1594 O CYS A 103 -10.816 -9.281 3.171 1.00 22.22 O ATOM 1595 CB CYS A 103 -8.429 -11.603 4.128 1.00 51.11 C ATOM 1596 SG CYS A 103 -7.781 -11.204 2.494 1.00 3.15 S ATOM 0 H CYS A 103 -11.090 -11.543 2.633 1.00 73.33 H new ATOM 0 HA CYS A 103 -10.178 -11.348 5.384 1.00 51.13 H new ATOM 0 HB2 CYS A 103 -7.807 -11.120 4.882 1.00 51.11 H new ATOM 0 HB3 CYS A 103 -8.346 -12.678 4.287 1.00 51.11 H new ATOM 0 HG CYS A 103 -8.250 -12.048 1.623 1.00 3.15 H new ATOM 1602 N THR A 104 -9.282 -8.849 4.772 1.00 13.35 N ATOM 1603 CA THR A 104 -9.200 -7.393 4.550 1.00 45.20 C ATOM 1604 C THR A 104 -7.752 -6.970 4.217 1.00 54.44 C ATOM 1605 O THR A 104 -6.827 -7.304 4.950 1.00 0.15 O ATOM 1606 CB THR A 104 -9.708 -6.588 5.797 1.00 22.12 C ATOM 1607 OG1 THR A 104 -11.100 -6.849 6.003 1.00 43.23 O ATOM 1608 CG2 THR A 104 -9.512 -5.069 5.655 1.00 33.33 C ATOM 0 H THR A 104 -8.703 -9.173 5.547 1.00 13.35 H new ATOM 0 HA THR A 104 -9.847 -7.161 3.704 1.00 45.20 H new ATOM 0 HB THR A 104 -9.112 -6.922 6.646 1.00 22.12 H new ATOM 0 HG1 THR A 104 -11.415 -6.347 6.783 1.00 43.23 H new ATOM 0 HG21 THR A 104 -9.883 -4.569 6.550 1.00 33.33 H new ATOM 0 HG22 THR A 104 -8.452 -4.849 5.530 1.00 33.33 H new ATOM 0 HG23 THR A 104 -10.062 -4.711 4.785 1.00 33.33 H new ATOM 1616 N VAL A 105 -7.568 -6.241 3.099 1.00 40.02 N ATOM 1617 CA VAL A 105 -6.267 -5.636 2.739 1.00 1.32 C ATOM 1618 C VAL A 105 -6.240 -4.174 3.233 1.00 34.43 C ATOM 1619 O VAL A 105 -6.962 -3.318 2.707 1.00 31.32 O ATOM 1620 CB VAL A 105 -6.001 -5.672 1.191 1.00 74.21 C ATOM 1621 CG1 VAL A 105 -4.546 -5.241 0.850 1.00 14.41 C ATOM 1622 CG2 VAL A 105 -6.324 -7.059 0.606 1.00 34.14 C ATOM 0 H VAL A 105 -8.309 -6.055 2.424 1.00 40.02 H new ATOM 0 HA VAL A 105 -5.481 -6.221 3.218 1.00 1.32 H new ATOM 0 HB VAL A 105 -6.671 -4.949 0.726 1.00 74.21 H new ATOM 0 HG11 VAL A 105 -4.399 -5.278 -0.229 1.00 14.41 H new ATOM 0 HG12 VAL A 105 -4.375 -4.225 1.205 1.00 14.41 H new ATOM 0 HG13 VAL A 105 -3.843 -5.918 1.335 1.00 14.41 H new ATOM 0 HG21 VAL A 105 -6.131 -7.055 -0.467 1.00 34.14 H new ATOM 0 HG22 VAL A 105 -5.697 -7.811 1.085 1.00 34.14 H new ATOM 0 HG23 VAL A 105 -7.373 -7.294 0.785 1.00 34.14 H new ATOM 1632 N VAL A 106 -5.415 -3.905 4.252 1.00 1.10 N ATOM 1633 CA VAL A 106 -5.291 -2.569 4.865 1.00 1.24 C ATOM 1634 C VAL A 106 -4.041 -1.847 4.313 1.00 40.10 C ATOM 1635 O VAL A 106 -2.912 -2.223 4.624 1.00 42.31 O ATOM 1636 CB VAL A 106 -5.204 -2.666 6.435 1.00 21.44 C ATOM 1637 CG1 VAL A 106 -5.070 -1.271 7.091 1.00 60.42 C ATOM 1638 CG2 VAL A 106 -6.412 -3.437 7.012 1.00 21.33 C ATOM 0 H VAL A 106 -4.811 -4.607 4.679 1.00 1.10 H new ATOM 0 HA VAL A 106 -6.183 -1.997 4.609 1.00 1.24 H new ATOM 0 HB VAL A 106 -4.300 -3.225 6.675 1.00 21.44 H new ATOM 0 HG11 VAL A 106 -5.013 -1.382 8.174 1.00 60.42 H new ATOM 0 HG12 VAL A 106 -4.165 -0.784 6.728 1.00 60.42 H new ATOM 0 HG13 VAL A 106 -5.937 -0.663 6.834 1.00 60.42 H new ATOM 0 HG21 VAL A 106 -6.326 -3.489 8.097 1.00 21.33 H new ATOM 0 HG22 VAL A 106 -7.334 -2.921 6.745 1.00 21.33 H new ATOM 0 HG23 VAL A 106 -6.429 -4.446 6.601 1.00 21.33 H new ATOM 1648 N TRP A 107 -4.257 -0.821 3.486 1.00 71.21 N ATOM 1649 CA TRP A 107 -3.176 0.038 2.976 1.00 25.15 C ATOM 1650 C TRP A 107 -3.247 1.414 3.684 1.00 22.40 C ATOM 1651 O TRP A 107 -4.244 2.128 3.580 1.00 24.42 O ATOM 1652 CB TRP A 107 -3.293 0.176 1.438 1.00 71.02 C ATOM 1653 CG TRP A 107 -2.072 0.741 0.739 1.00 75.12 C ATOM 1654 CD1 TRP A 107 -0.859 1.085 1.288 1.00 75.43 C ATOM 1655 CD2 TRP A 107 -1.963 1.014 -0.656 1.00 1.10 C ATOM 1656 NE1 TRP A 107 -0.021 1.551 0.315 1.00 62.23 N ATOM 1657 CE2 TRP A 107 -0.673 1.520 -0.887 1.00 62.41 C ATOM 1658 CE3 TRP A 107 -2.839 0.883 -1.731 1.00 74.01 C ATOM 1659 CZ2 TRP A 107 -0.235 1.890 -2.156 1.00 11.33 C ATOM 1660 CZ3 TRP A 107 -2.407 1.251 -2.984 1.00 41.33 C ATOM 1661 CH2 TRP A 107 -1.114 1.752 -3.189 1.00 72.22 C ATOM 0 H TRP A 107 -5.184 -0.559 3.149 1.00 71.21 H new ATOM 0 HA TRP A 107 -2.205 -0.409 3.191 1.00 25.15 H new ATOM 0 HB2 TRP A 107 -3.509 -0.806 1.018 1.00 71.02 H new ATOM 0 HB3 TRP A 107 -4.147 0.814 1.212 1.00 71.02 H new ATOM 0 HD1 TRP A 107 -0.606 0.999 2.334 1.00 75.43 H new ATOM 0 HE1 TRP A 107 0.937 1.871 0.461 1.00 62.23 H new ATOM 0 HE3 TRP A 107 -3.838 0.500 -1.584 1.00 74.01 H new ATOM 0 HZ2 TRP A 107 0.763 2.272 -2.316 1.00 11.33 H new ATOM 0 HZ3 TRP A 107 -3.077 1.152 -3.826 1.00 41.33 H new ATOM 0 HH2 TRP A 107 -0.808 2.034 -4.185 1.00 72.22 H new ATOM 1672 N THR A 108 -2.178 1.771 4.398 1.00 43.32 N ATOM 1673 CA THR A 108 -2.127 2.967 5.273 1.00 24.21 C ATOM 1674 C THR A 108 -0.910 3.842 4.899 1.00 52.23 C ATOM 1675 O THR A 108 0.076 3.321 4.401 1.00 54.42 O ATOM 1676 CB THR A 108 -2.037 2.516 6.773 1.00 14.50 C ATOM 1677 OG1 THR A 108 -3.098 1.590 7.055 1.00 21.43 O ATOM 1678 CG2 THR A 108 -2.101 3.690 7.774 1.00 72.12 C ATOM 0 H THR A 108 -1.308 1.239 4.392 1.00 43.32 H new ATOM 0 HA THR A 108 -3.033 3.557 5.135 1.00 24.21 H new ATOM 0 HB THR A 108 -1.062 2.047 6.903 1.00 14.50 H new ATOM 0 HG1 THR A 108 -3.791 1.667 6.366 1.00 21.43 H new ATOM 0 HG21 THR A 108 -2.033 3.305 8.791 1.00 72.12 H new ATOM 0 HG22 THR A 108 -1.271 4.372 7.588 1.00 72.12 H new ATOM 0 HG23 THR A 108 -3.044 4.223 7.650 1.00 72.12 H new ATOM 1686 N ALA A 109 -0.999 5.174 5.104 1.00 15.14 N ATOM 1687 CA ALA A 109 0.130 6.109 4.876 1.00 4.42 C ATOM 1688 C ALA A 109 0.082 7.292 5.860 1.00 54.15 C ATOM 1689 O ALA A 109 -0.868 8.070 5.856 1.00 65.33 O ATOM 1690 CB ALA A 109 0.123 6.633 3.429 1.00 10.24 C ATOM 0 H ALA A 109 -1.850 5.632 5.431 1.00 15.14 H new ATOM 0 HA ALA A 109 1.053 5.555 5.047 1.00 4.42 H new ATOM 0 HB1 ALA A 109 0.960 7.317 3.286 1.00 10.24 H new ATOM 0 HB2 ALA A 109 0.216 5.795 2.738 1.00 10.24 H new ATOM 0 HB3 ALA A 109 -0.812 7.159 3.237 1.00 10.24 H new ATOM 1696 N MET A 110 1.141 7.440 6.666 1.00 23.31 N ATOM 1697 CA MET A 110 1.277 8.520 7.667 1.00 11.22 C ATOM 1698 C MET A 110 2.486 9.420 7.321 1.00 53.51 C ATOM 1699 O MET A 110 3.604 8.944 7.123 1.00 74.23 O ATOM 1700 CB MET A 110 1.383 7.965 9.125 1.00 41.20 C ATOM 1701 CG MET A 110 2.121 6.638 9.285 1.00 62.31 C ATOM 1702 SD MET A 110 1.179 5.243 8.615 1.00 12.14 S ATOM 1703 CE MET A 110 2.212 3.852 9.067 1.00 53.42 C ATOM 0 H MET A 110 1.941 6.808 6.645 1.00 23.31 H new ATOM 0 HA MET A 110 0.370 9.123 7.629 1.00 11.22 H new ATOM 0 HB2 MET A 110 1.883 8.712 9.741 1.00 41.20 H new ATOM 0 HB3 MET A 110 0.375 7.847 9.522 1.00 41.20 H new ATOM 0 HG2 MET A 110 3.085 6.698 8.781 1.00 62.31 H new ATOM 0 HG3 MET A 110 2.324 6.463 10.341 1.00 62.31 H new ATOM 0 HE1 MET A 110 1.681 2.923 8.861 1.00 53.42 H new ATOM 0 HE2 MET A 110 3.134 3.880 8.486 1.00 53.42 H new ATOM 0 HE3 MET A 110 2.450 3.906 10.129 1.00 53.42 H new ATOM 1713 N PHE A 111 2.219 10.724 7.281 1.00 52.15 N ATOM 1714 CA PHE A 111 3.171 11.775 6.874 1.00 31.40 C ATOM 1715 C PHE A 111 2.871 13.047 7.689 1.00 12.04 C ATOM 1716 O PHE A 111 1.709 13.343 7.970 1.00 34.22 O ATOM 1717 CB PHE A 111 3.072 12.038 5.338 1.00 52.02 C ATOM 1718 CG PHE A 111 1.652 12.198 4.774 1.00 64.22 C ATOM 1719 CD1 PHE A 111 0.980 13.418 4.835 1.00 23.15 C ATOM 1720 CD2 PHE A 111 0.995 11.125 4.165 1.00 10.53 C ATOM 1721 CE1 PHE A 111 -0.290 13.562 4.311 1.00 33.13 C ATOM 1722 CE2 PHE A 111 -0.272 11.270 3.639 1.00 74.11 C ATOM 1723 CZ PHE A 111 -0.915 12.489 3.713 1.00 60.10 C ATOM 0 H PHE A 111 1.306 11.098 7.538 1.00 52.15 H new ATOM 0 HA PHE A 111 4.193 11.456 7.076 1.00 31.40 H new ATOM 0 HB2 PHE A 111 3.638 12.940 5.106 1.00 52.02 H new ATOM 0 HB3 PHE A 111 3.559 11.214 4.816 1.00 52.02 H new ATOM 0 HD1 PHE A 111 1.461 14.266 5.300 1.00 23.15 H new ATOM 0 HD2 PHE A 111 1.488 10.166 4.105 1.00 10.53 H new ATOM 0 HE1 PHE A 111 -0.793 14.516 4.370 1.00 33.13 H new ATOM 0 HE2 PHE A 111 -0.761 10.429 3.169 1.00 74.11 H new ATOM 0 HZ PHE A 111 -1.908 12.602 3.302 1.00 60.10 H new ATOM 1733 N ASP A 112 3.912 13.792 8.079 1.00 52.03 N ATOM 1734 CA ASP A 112 3.739 15.002 8.902 1.00 55.53 C ATOM 1735 C ASP A 112 3.551 16.239 7.980 1.00 14.22 C ATOM 1736 O ASP A 112 4.489 16.988 7.701 1.00 13.24 O ATOM 1737 CB ASP A 112 4.938 15.148 9.876 1.00 74.33 C ATOM 1738 CG ASP A 112 4.705 16.216 10.954 1.00 41.42 C ATOM 1739 OD1 ASP A 112 4.163 15.875 12.028 1.00 71.00 O ATOM 1740 OD2 ASP A 112 5.053 17.401 10.732 1.00 63.32 O ATOM 0 H ASP A 112 4.881 13.582 7.841 1.00 52.03 H new ATOM 0 HA ASP A 112 2.841 14.922 9.514 1.00 55.53 H new ATOM 0 HB2 ASP A 112 5.128 14.189 10.357 1.00 74.33 H new ATOM 0 HB3 ASP A 112 5.833 15.402 9.307 1.00 74.33 H new ATOM 1745 N CYS A 113 2.328 16.391 7.443 1.00 71.35 N ATOM 1746 CA CYS A 113 1.968 17.521 6.536 1.00 42.04 C ATOM 1747 C CYS A 113 0.851 18.409 7.136 1.00 60.02 C ATOM 1748 O CYS A 113 0.142 17.994 8.064 1.00 51.23 O ATOM 1749 CB CYS A 113 1.538 16.973 5.155 1.00 63.15 C ATOM 1750 SG CYS A 113 1.108 18.236 3.934 1.00 71.44 S ATOM 0 H CYS A 113 1.558 15.745 7.617 1.00 71.35 H new ATOM 0 HA CYS A 113 2.852 18.147 6.417 1.00 42.04 H new ATOM 0 HB2 CYS A 113 2.347 16.362 4.755 1.00 63.15 H new ATOM 0 HB3 CYS A 113 0.680 16.315 5.293 1.00 63.15 H new ATOM 0 HG CYS A 113 2.154 18.519 3.216 1.00 71.44 H new ATOM 1756 N SER A 114 0.706 19.631 6.576 1.00 52.54 N ATOM 1757 CA SER A 114 -0.261 20.648 7.059 1.00 64.44 C ATOM 1758 C SER A 114 -1.734 20.179 6.889 1.00 71.13 C ATOM 1759 O SER A 114 -2.059 19.583 5.863 1.00 4.42 O ATOM 1760 CB SER A 114 -0.046 21.984 6.302 1.00 3.25 C ATOM 1761 OG SER A 114 -0.295 21.850 4.908 1.00 11.25 O ATOM 0 H SER A 114 1.256 19.942 5.775 1.00 52.54 H new ATOM 0 HA SER A 114 -0.080 20.792 8.124 1.00 64.44 H new ATOM 0 HB2 SER A 114 -0.705 22.746 6.717 1.00 3.25 H new ATOM 0 HB3 SER A 114 0.977 22.328 6.457 1.00 3.25 H new ATOM 0 HG SER A 114 -0.151 22.712 4.466 1.00 11.25 H new ATOM 1767 N PRO A 115 -2.639 20.436 7.907 1.00 54.42 N ATOM 1768 CA PRO A 115 -4.101 20.083 7.841 1.00 2.13 C ATOM 1769 C PRO A 115 -4.817 20.473 6.515 1.00 31.05 C ATOM 1770 O PRO A 115 -5.702 19.743 6.038 1.00 61.11 O ATOM 1771 CB PRO A 115 -4.690 20.877 9.030 1.00 1.44 C ATOM 1772 CG PRO A 115 -3.582 20.906 10.035 1.00 22.33 C ATOM 1773 CD PRO A 115 -2.303 21.051 9.228 1.00 52.21 C ATOM 0 HA PRO A 115 -4.242 19.003 7.883 1.00 2.13 H new ATOM 0 HB2 PRO A 115 -4.983 21.883 8.731 1.00 1.44 H new ATOM 0 HB3 PRO A 115 -5.580 20.392 9.432 1.00 1.44 H new ATOM 0 HG2 PRO A 115 -3.704 21.737 10.729 1.00 22.33 H new ATOM 0 HG3 PRO A 115 -3.569 19.993 10.630 1.00 22.33 H new ATOM 0 HD2 PRO A 115 -2.015 22.097 9.120 1.00 52.21 H new ATOM 0 HD3 PRO A 115 -1.468 20.538 9.707 1.00 52.21 H new ATOM 1781 N GLU A 116 -4.423 21.630 5.945 1.00 23.14 N ATOM 1782 CA GLU A 116 -4.941 22.121 4.646 1.00 62.23 C ATOM 1783 C GLU A 116 -4.617 21.129 3.497 1.00 51.14 C ATOM 1784 O GLU A 116 -5.515 20.687 2.770 1.00 62.24 O ATOM 1785 CB GLU A 116 -4.330 23.513 4.333 1.00 12.03 C ATOM 1786 CG GLU A 116 -4.860 24.180 3.042 1.00 41.33 C ATOM 1787 CD GLU A 116 -4.187 25.525 2.702 1.00 65.14 C ATOM 1788 OE1 GLU A 116 -3.996 26.354 3.619 1.00 0.00 O ATOM 1789 OE2 GLU A 116 -3.872 25.769 1.514 1.00 14.30 O ATOM 0 H GLU A 116 -3.736 22.253 6.371 1.00 23.14 H new ATOM 0 HA GLU A 116 -6.025 22.205 4.721 1.00 62.23 H new ATOM 0 HB2 GLU A 116 -4.526 24.177 5.175 1.00 12.03 H new ATOM 0 HB3 GLU A 116 -3.248 23.409 4.253 1.00 12.03 H new ATOM 0 HG2 GLU A 116 -4.717 23.494 2.207 1.00 41.33 H new ATOM 0 HG3 GLU A 116 -5.934 24.339 3.143 1.00 41.33 H new ATOM 1796 N THR A 117 -3.327 20.774 3.355 1.00 55.55 N ATOM 1797 CA THR A 117 -2.858 19.829 2.307 1.00 73.33 C ATOM 1798 C THR A 117 -3.274 18.368 2.630 1.00 31.55 C ATOM 1799 O THR A 117 -3.486 17.566 1.726 1.00 41.51 O ATOM 1800 CB THR A 117 -1.297 19.914 2.123 1.00 34.30 C ATOM 1801 OG1 THR A 117 -0.909 21.268 1.849 1.00 64.44 O ATOM 1802 CG2 THR A 117 -0.778 19.015 0.982 1.00 22.22 C ATOM 0 H THR A 117 -2.581 21.127 3.954 1.00 55.55 H new ATOM 0 HA THR A 117 -3.337 20.124 1.373 1.00 73.33 H new ATOM 0 HB THR A 117 -0.856 19.562 3.056 1.00 34.30 H new ATOM 0 HG1 THR A 117 -0.669 21.715 2.687 1.00 64.44 H new ATOM 0 HG21 THR A 117 0.304 19.116 0.903 1.00 22.22 H new ATOM 0 HG22 THR A 117 -1.031 17.976 1.193 1.00 22.22 H new ATOM 0 HG23 THR A 117 -1.240 19.317 0.042 1.00 22.22 H new ATOM 1810 N ALA A 118 -3.442 18.052 3.931 1.00 42.22 N ATOM 1811 CA ALA A 118 -3.723 16.674 4.422 1.00 41.41 C ATOM 1812 C ALA A 118 -5.118 16.162 3.989 1.00 54.22 C ATOM 1813 O ALA A 118 -5.261 15.007 3.586 1.00 25.12 O ATOM 1814 CB ALA A 118 -3.599 16.630 5.954 1.00 53.33 C ATOM 0 H ALA A 118 -3.388 18.744 4.679 1.00 42.22 H new ATOM 0 HA ALA A 118 -2.984 16.013 3.970 1.00 41.41 H new ATOM 0 HB1 ALA A 118 -3.806 15.620 6.307 1.00 53.33 H new ATOM 0 HB2 ALA A 118 -2.589 16.917 6.246 1.00 53.33 H new ATOM 0 HB3 ALA A 118 -4.315 17.323 6.397 1.00 53.33 H new ATOM 1820 N ARG A 119 -6.140 17.035 4.096 1.00 1.34 N ATOM 1821 CA ARG A 119 -7.526 16.729 3.655 1.00 34.02 C ATOM 1822 C ARG A 119 -7.618 16.611 2.110 1.00 25.45 C ATOM 1823 O ARG A 119 -8.468 15.884 1.578 1.00 40.33 O ATOM 1824 CB ARG A 119 -8.498 17.817 4.183 1.00 11.23 C ATOM 1825 CG ARG A 119 -8.253 19.232 3.610 1.00 70.03 C ATOM 1826 CD ARG A 119 -9.081 20.328 4.307 1.00 42.22 C ATOM 1827 NE ARG A 119 -8.699 20.499 5.725 1.00 44.20 N ATOM 1828 CZ ARG A 119 -8.865 21.598 6.435 1.00 31.32 C ATOM 1829 NH1 ARG A 119 -9.369 22.676 5.907 1.00 42.31 N ATOM 1830 NH2 ARG A 119 -8.503 21.608 7.676 1.00 12.00 N ATOM 0 H ARG A 119 -6.034 17.970 4.489 1.00 1.34 H new ATOM 0 HA ARG A 119 -7.813 15.763 4.071 1.00 34.02 H new ATOM 0 HB2 ARG A 119 -9.520 17.517 3.950 1.00 11.23 H new ATOM 0 HB3 ARG A 119 -8.418 17.860 5.269 1.00 11.23 H new ATOM 0 HG2 ARG A 119 -7.194 19.474 3.701 1.00 70.03 H new ATOM 0 HG3 ARG A 119 -8.489 19.231 2.546 1.00 70.03 H new ATOM 0 HD2 ARG A 119 -8.947 21.273 3.780 1.00 42.22 H new ATOM 0 HD3 ARG A 119 -10.140 20.076 4.245 1.00 42.22 H new ATOM 0 HE ARG A 119 -8.271 19.700 6.193 1.00 44.20 H new ATOM 0 HH11 ARG A 119 -9.645 22.682 4.925 1.00 42.31 H new ATOM 0 HH12 ARG A 119 -9.488 23.515 6.475 1.00 42.31 H new ATOM 0 HH21 ARG A 119 -8.095 20.772 8.095 1.00 12.00 H new ATOM 0 HH22 ARG A 119 -8.626 22.451 8.236 1.00 12.00 H new ATOM 1844 N GLU A 120 -6.735 17.344 1.407 1.00 54.20 N ATOM 1845 CA GLU A 120 -6.597 17.261 -0.063 1.00 45.11 C ATOM 1846 C GLU A 120 -5.964 15.911 -0.472 1.00 22.42 C ATOM 1847 O GLU A 120 -6.442 15.246 -1.386 1.00 34.45 O ATOM 1848 CB GLU A 120 -5.746 18.455 -0.567 1.00 62.33 C ATOM 1849 CG GLU A 120 -5.416 18.446 -2.077 1.00 51.23 C ATOM 1850 CD GLU A 120 -4.687 19.719 -2.558 1.00 35.11 C ATOM 1851 OE1 GLU A 120 -3.690 20.135 -1.914 1.00 55.02 O ATOM 1852 OE2 GLU A 120 -5.094 20.299 -3.590 1.00 10.43 O ATOM 0 H GLU A 120 -6.096 18.011 1.840 1.00 54.20 H new ATOM 0 HA GLU A 120 -7.583 17.315 -0.524 1.00 45.11 H new ATOM 0 HB2 GLU A 120 -6.274 19.379 -0.334 1.00 62.33 H new ATOM 0 HB3 GLU A 120 -4.810 18.473 -0.008 1.00 62.33 H new ATOM 0 HG2 GLU A 120 -4.797 17.577 -2.300 1.00 51.23 H new ATOM 0 HG3 GLU A 120 -6.341 18.332 -2.642 1.00 51.23 H new ATOM 1859 N LEU A 121 -4.913 15.502 0.258 1.00 1.14 N ATOM 1860 CA LEU A 121 -4.193 14.227 0.028 1.00 41.41 C ATOM 1861 C LEU A 121 -5.015 13.018 0.513 1.00 51.12 C ATOM 1862 O LEU A 121 -4.788 11.899 0.070 1.00 33.43 O ATOM 1863 CB LEU A 121 -2.799 14.248 0.700 1.00 71.33 C ATOM 1864 CG LEU A 121 -1.784 15.291 0.129 1.00 14.15 C ATOM 1865 CD1 LEU A 121 -0.441 15.228 0.882 1.00 2.33 C ATOM 1866 CD2 LEU A 121 -1.582 15.111 -1.396 1.00 5.23 C ATOM 0 H LEU A 121 -4.532 16.047 1.031 1.00 1.14 H new ATOM 0 HA LEU A 121 -4.052 14.121 -1.048 1.00 41.41 H new ATOM 0 HB2 LEU A 121 -2.932 14.444 1.764 1.00 71.33 H new ATOM 0 HB3 LEU A 121 -2.359 13.255 0.611 1.00 71.33 H new ATOM 0 HG LEU A 121 -2.208 16.283 0.286 1.00 14.15 H new ATOM 0 HD11 LEU A 121 0.246 15.964 0.464 1.00 2.33 H new ATOM 0 HD12 LEU A 121 -0.605 15.444 1.938 1.00 2.33 H new ATOM 0 HD13 LEU A 121 -0.012 14.231 0.778 1.00 2.33 H new ATOM 0 HD21 LEU A 121 -0.870 15.853 -1.759 1.00 5.23 H new ATOM 0 HD22 LEU A 121 -1.198 14.111 -1.597 1.00 5.23 H new ATOM 0 HD23 LEU A 121 -2.536 15.243 -1.907 1.00 5.23 H new ATOM 1878 N GLU A 122 -5.944 13.250 1.449 1.00 30.42 N ATOM 1879 CA GLU A 122 -6.945 12.240 1.853 1.00 1.52 C ATOM 1880 C GLU A 122 -7.770 11.784 0.624 1.00 25.33 C ATOM 1881 O GLU A 122 -7.986 10.590 0.414 1.00 21.45 O ATOM 1882 CB GLU A 122 -7.854 12.843 2.960 1.00 40.31 C ATOM 1883 CG GLU A 122 -8.959 11.919 3.501 1.00 70.31 C ATOM 1884 CD GLU A 122 -8.431 10.584 4.070 1.00 55.21 C ATOM 1885 OE1 GLU A 122 -7.658 10.612 5.057 1.00 10.41 O ATOM 1886 OE2 GLU A 122 -8.802 9.505 3.550 1.00 33.40 O ATOM 0 H GLU A 122 -6.028 14.136 1.948 1.00 30.42 H new ATOM 0 HA GLU A 122 -6.445 11.359 2.255 1.00 1.52 H new ATOM 0 HB2 GLU A 122 -7.223 13.149 3.794 1.00 40.31 H new ATOM 0 HB3 GLU A 122 -8.322 13.745 2.567 1.00 40.31 H new ATOM 0 HG2 GLU A 122 -9.509 12.444 4.282 1.00 70.31 H new ATOM 0 HG3 GLU A 122 -9.667 11.707 2.700 1.00 70.31 H new ATOM 1893 N SER A 123 -8.193 12.769 -0.188 1.00 31.35 N ATOM 1894 CA SER A 123 -8.871 12.530 -1.483 1.00 21.32 C ATOM 1895 C SER A 123 -7.903 11.982 -2.579 1.00 24.34 C ATOM 1896 O SER A 123 -8.184 10.966 -3.211 1.00 63.14 O ATOM 1897 CB SER A 123 -9.533 13.841 -1.964 1.00 54.14 C ATOM 1898 OG SER A 123 -10.275 13.653 -3.156 1.00 61.40 O ATOM 0 H SER A 123 -8.076 13.758 0.033 1.00 31.35 H new ATOM 0 HA SER A 123 -9.628 11.762 -1.321 1.00 21.32 H new ATOM 0 HB2 SER A 123 -10.191 14.223 -1.183 1.00 54.14 H new ATOM 0 HB3 SER A 123 -8.764 14.596 -2.130 1.00 54.14 H new ATOM 0 HG SER A 123 -10.679 14.503 -3.427 1.00 61.40 H new ATOM 1904 N VAL A 124 -6.767 12.672 -2.803 1.00 32.24 N ATOM 1905 CA VAL A 124 -5.802 12.338 -3.894 1.00 14.33 C ATOM 1906 C VAL A 124 -5.074 10.983 -3.658 1.00 35.24 C ATOM 1907 O VAL A 124 -5.098 10.092 -4.515 1.00 53.15 O ATOM 1908 CB VAL A 124 -4.741 13.501 -4.064 1.00 62.25 C ATOM 1909 CG1 VAL A 124 -3.642 13.147 -5.107 1.00 60.24 C ATOM 1910 CG2 VAL A 124 -5.441 14.837 -4.436 1.00 14.12 C ATOM 0 H VAL A 124 -6.484 13.475 -2.241 1.00 32.24 H new ATOM 0 HA VAL A 124 -6.384 12.235 -4.810 1.00 14.33 H new ATOM 0 HB VAL A 124 -4.244 13.623 -3.102 1.00 62.25 H new ATOM 0 HG11 VAL A 124 -2.938 13.975 -5.189 1.00 60.24 H new ATOM 0 HG12 VAL A 124 -3.112 12.250 -4.787 1.00 60.24 H new ATOM 0 HG13 VAL A 124 -4.105 12.968 -6.077 1.00 60.24 H new ATOM 0 HG21 VAL A 124 -4.692 15.621 -4.548 1.00 14.12 H new ATOM 0 HG22 VAL A 124 -5.982 14.715 -5.375 1.00 14.12 H new ATOM 0 HG23 VAL A 124 -6.141 15.113 -3.647 1.00 14.12 H new ATOM 1920 N ILE A 125 -4.431 10.844 -2.495 1.00 14.42 N ATOM 1921 CA ILE A 125 -3.679 9.621 -2.126 1.00 14.44 C ATOM 1922 C ILE A 125 -4.637 8.505 -1.623 1.00 52.01 C ATOM 1923 O ILE A 125 -4.584 7.376 -2.112 1.00 12.30 O ATOM 1924 CB ILE A 125 -2.569 9.940 -1.042 1.00 23.41 C ATOM 1925 CG1 ILE A 125 -1.553 11.005 -1.588 1.00 74.23 C ATOM 1926 CG2 ILE A 125 -1.836 8.657 -0.561 1.00 21.13 C ATOM 1927 CD1 ILE A 125 -0.443 11.400 -0.616 1.00 12.00 C ATOM 0 H ILE A 125 -4.411 11.569 -1.778 1.00 14.42 H new ATOM 0 HA ILE A 125 -3.179 9.256 -3.023 1.00 14.44 H new ATOM 0 HB ILE A 125 -3.073 10.360 -0.171 1.00 23.41 H new ATOM 0 HG12 ILE A 125 -1.096 10.615 -2.498 1.00 74.23 H new ATOM 0 HG13 ILE A 125 -2.106 11.902 -1.868 1.00 74.23 H new ATOM 0 HG21 ILE A 125 -1.084 8.924 0.181 1.00 21.13 H new ATOM 0 HG22 ILE A 125 -2.557 7.971 -0.116 1.00 21.13 H new ATOM 0 HG23 ILE A 125 -1.352 8.174 -1.410 1.00 21.13 H new ATOM 0 HD11 ILE A 125 0.206 12.139 -1.086 1.00 12.00 H new ATOM 0 HD12 ILE A 125 -0.883 11.825 0.286 1.00 12.00 H new ATOM 0 HD13 ILE A 125 0.142 10.518 -0.354 1.00 12.00 H new ATOM 1939 N GLY A 126 -5.524 8.844 -0.664 1.00 35.21 N ATOM 1940 CA GLY A 126 -6.429 7.855 -0.034 1.00 32.43 C ATOM 1941 C GLY A 126 -7.482 7.253 -0.982 1.00 11.44 C ATOM 1942 O GLY A 126 -7.667 6.033 -1.021 1.00 45.43 O ATOM 0 H GLY A 126 -5.634 9.794 -0.308 1.00 35.21 H new ATOM 0 HA2 GLY A 126 -5.828 7.046 0.381 1.00 32.43 H new ATOM 0 HA3 GLY A 126 -6.942 8.332 0.801 1.00 32.43 H new ATOM 1946 N ASP A 127 -8.200 8.109 -1.729 1.00 12.24 N ATOM 1947 CA ASP A 127 -9.219 7.656 -2.713 1.00 41.13 C ATOM 1948 C ASP A 127 -8.587 7.389 -4.108 1.00 50.12 C ATOM 1949 O ASP A 127 -8.808 6.329 -4.711 1.00 24.24 O ATOM 1950 CB ASP A 127 -10.361 8.705 -2.833 1.00 75.23 C ATOM 1951 CG ASP A 127 -11.085 8.977 -1.503 1.00 63.22 C ATOM 1952 OD1 ASP A 127 -10.486 9.572 -0.599 1.00 75.02 O ATOM 1953 OD2 ASP A 127 -12.245 8.558 -1.339 1.00 3.53 O ATOM 0 H ASP A 127 -8.099 9.123 -1.675 1.00 12.24 H new ATOM 0 HA ASP A 127 -9.635 6.717 -2.349 1.00 41.13 H new ATOM 0 HB2 ASP A 127 -9.947 9.640 -3.210 1.00 75.23 H new ATOM 0 HB3 ASP A 127 -11.087 8.358 -3.569 1.00 75.23 H new ATOM 1958 N GLY A 128 -7.790 8.360 -4.595 1.00 22.01 N ATOM 1959 CA GLY A 128 -7.269 8.348 -5.977 1.00 62.13 C ATOM 1960 C GLY A 128 -6.170 7.314 -6.260 1.00 34.12 C ATOM 1961 O GLY A 128 -6.032 6.853 -7.395 1.00 22.31 O ATOM 0 H GLY A 128 -7.491 9.168 -4.048 1.00 22.01 H new ATOM 0 HA2 GLY A 128 -8.100 8.165 -6.658 1.00 62.13 H new ATOM 0 HA3 GLY A 128 -6.879 9.339 -6.208 1.00 62.13 H new ATOM 1965 N VAL A 129 -5.361 6.966 -5.245 1.00 72.31 N ATOM 1966 CA VAL A 129 -4.282 5.949 -5.395 1.00 2.31 C ATOM 1967 C VAL A 129 -4.662 4.629 -4.681 1.00 54.22 C ATOM 1968 O VAL A 129 -4.640 3.546 -5.292 1.00 2.33 O ATOM 1969 CB VAL A 129 -2.903 6.470 -4.829 1.00 14.20 C ATOM 1970 CG1 VAL A 129 -1.769 5.425 -5.023 1.00 73.12 C ATOM 1971 CG2 VAL A 129 -2.514 7.833 -5.458 1.00 55.22 C ATOM 0 H VAL A 129 -5.426 7.368 -4.310 1.00 72.31 H new ATOM 0 HA VAL A 129 -4.170 5.764 -6.463 1.00 2.31 H new ATOM 0 HB VAL A 129 -3.032 6.619 -3.757 1.00 14.20 H new ATOM 0 HG11 VAL A 129 -0.837 5.821 -4.621 1.00 73.12 H new ATOM 0 HG12 VAL A 129 -2.028 4.505 -4.499 1.00 73.12 H new ATOM 0 HG13 VAL A 129 -1.646 5.215 -6.085 1.00 73.12 H new ATOM 0 HG21 VAL A 129 -1.560 8.164 -5.047 1.00 55.22 H new ATOM 0 HG22 VAL A 129 -2.425 7.723 -6.539 1.00 55.22 H new ATOM 0 HG23 VAL A 129 -3.283 8.571 -5.230 1.00 55.22 H new ATOM 1981 N PHE A 130 -5.011 4.741 -3.384 1.00 75.21 N ATOM 1982 CA PHE A 130 -5.217 3.578 -2.491 1.00 74.33 C ATOM 1983 C PHE A 130 -6.521 2.832 -2.799 1.00 51.33 C ATOM 1984 O PHE A 130 -6.478 1.654 -3.148 1.00 31.01 O ATOM 1985 CB PHE A 130 -5.186 4.006 -0.990 1.00 13.54 C ATOM 1986 CG PHE A 130 -3.816 4.374 -0.415 1.00 65.11 C ATOM 1987 CD1 PHE A 130 -2.760 4.781 -1.231 1.00 54.14 C ATOM 1988 CD2 PHE A 130 -3.595 4.304 0.959 1.00 63.11 C ATOM 1989 CE1 PHE A 130 -1.530 5.096 -0.691 1.00 51.24 C ATOM 1990 CE2 PHE A 130 -2.366 4.619 1.495 1.00 61.55 C ATOM 1991 CZ PHE A 130 -1.336 5.017 0.669 1.00 44.12 C ATOM 0 H PHE A 130 -5.159 5.639 -2.924 1.00 75.21 H new ATOM 0 HA PHE A 130 -4.390 2.893 -2.679 1.00 74.33 H new ATOM 0 HB2 PHE A 130 -5.850 4.861 -0.865 1.00 13.54 H new ATOM 0 HB3 PHE A 130 -5.599 3.192 -0.394 1.00 13.54 H new ATOM 0 HD1 PHE A 130 -2.907 4.850 -2.299 1.00 54.14 H new ATOM 0 HD2 PHE A 130 -4.399 3.999 1.613 1.00 63.11 H new ATOM 0 HE1 PHE A 130 -0.720 5.404 -1.335 1.00 51.24 H new ATOM 0 HE2 PHE A 130 -2.209 4.554 2.562 1.00 61.55 H new ATOM 0 HZ PHE A 130 -0.374 5.268 1.091 1.00 44.12 H new ATOM 2001 N ALA A 131 -7.671 3.533 -2.678 1.00 42.15 N ATOM 2002 CA ALA A 131 -9.006 2.928 -2.916 1.00 31.33 C ATOM 2003 C ALA A 131 -9.099 2.297 -4.325 1.00 73.31 C ATOM 2004 O ALA A 131 -9.708 1.250 -4.497 1.00 22.21 O ATOM 2005 CB ALA A 131 -10.120 3.965 -2.699 1.00 71.32 C ATOM 0 H ALA A 131 -7.704 4.518 -2.417 1.00 42.15 H new ATOM 0 HA ALA A 131 -9.142 2.126 -2.191 1.00 31.33 H new ATOM 0 HB1 ALA A 131 -11.090 3.500 -2.879 1.00 71.32 H new ATOM 0 HB2 ALA A 131 -10.079 4.334 -1.674 1.00 71.32 H new ATOM 0 HB3 ALA A 131 -9.983 4.797 -3.390 1.00 71.32 H new ATOM 2011 N VAL A 132 -8.447 2.936 -5.309 1.00 11.34 N ATOM 2012 CA VAL A 132 -8.286 2.391 -6.675 1.00 71.33 C ATOM 2013 C VAL A 132 -7.615 0.982 -6.675 1.00 20.31 C ATOM 2014 O VAL A 132 -8.181 0.024 -7.211 1.00 3.05 O ATOM 2015 CB VAL A 132 -7.456 3.404 -7.554 1.00 64.43 C ATOM 2016 CG1 VAL A 132 -6.887 2.750 -8.832 1.00 74.25 C ATOM 2017 CG2 VAL A 132 -8.305 4.648 -7.909 1.00 0.45 C ATOM 0 H VAL A 132 -8.013 3.850 -5.183 1.00 11.34 H new ATOM 0 HA VAL A 132 -9.280 2.265 -7.104 1.00 71.33 H new ATOM 0 HB VAL A 132 -6.604 3.720 -6.952 1.00 64.43 H new ATOM 0 HG11 VAL A 132 -6.325 3.491 -9.400 1.00 74.25 H new ATOM 0 HG12 VAL A 132 -6.228 1.927 -8.557 1.00 74.25 H new ATOM 0 HG13 VAL A 132 -7.706 2.370 -9.442 1.00 74.25 H new ATOM 0 HG21 VAL A 132 -7.712 5.332 -8.515 1.00 0.45 H new ATOM 0 HG22 VAL A 132 -9.187 4.339 -8.469 1.00 0.45 H new ATOM 0 HG23 VAL A 132 -8.615 5.151 -6.993 1.00 0.45 H new ATOM 2027 N GLY A 133 -6.428 0.877 -6.047 1.00 74.52 N ATOM 2028 CA GLY A 133 -5.659 -0.380 -6.022 1.00 51.01 C ATOM 2029 C GLY A 133 -6.314 -1.487 -5.185 1.00 1.41 C ATOM 2030 O GLY A 133 -6.252 -2.665 -5.541 1.00 62.15 O ATOM 0 H GLY A 133 -5.982 1.648 -5.551 1.00 74.52 H new ATOM 0 HA2 GLY A 133 -5.530 -0.737 -7.044 1.00 51.01 H new ATOM 0 HA3 GLY A 133 -4.663 -0.179 -5.627 1.00 51.01 H new ATOM 2034 N LEU A 134 -6.957 -1.083 -4.079 1.00 71.10 N ATOM 2035 CA LEU A 134 -7.641 -1.996 -3.139 1.00 73.30 C ATOM 2036 C LEU A 134 -8.927 -2.600 -3.754 1.00 62.02 C ATOM 2037 O LEU A 134 -9.193 -3.799 -3.599 1.00 31.33 O ATOM 2038 CB LEU A 134 -7.964 -1.236 -1.826 1.00 44.23 C ATOM 2039 CG LEU A 134 -6.736 -0.793 -0.966 1.00 53.22 C ATOM 2040 CD1 LEU A 134 -7.196 -0.089 0.327 1.00 14.35 C ATOM 2041 CD2 LEU A 134 -5.797 -1.984 -0.658 1.00 71.03 C ATOM 0 H LEU A 134 -7.020 -0.102 -3.805 1.00 71.10 H new ATOM 0 HA LEU A 134 -6.972 -2.829 -2.922 1.00 73.30 H new ATOM 0 HB2 LEU A 134 -8.544 -0.348 -2.078 1.00 44.23 H new ATOM 0 HB3 LEU A 134 -8.602 -1.870 -1.211 1.00 44.23 H new ATOM 0 HG LEU A 134 -6.162 -0.075 -1.552 1.00 53.22 H new ATOM 0 HD11 LEU A 134 -6.324 0.210 0.909 1.00 14.35 H new ATOM 0 HD12 LEU A 134 -7.782 0.794 0.072 1.00 14.35 H new ATOM 0 HD13 LEU A 134 -7.808 -0.773 0.916 1.00 14.35 H new ATOM 0 HD21 LEU A 134 -4.955 -1.638 -0.059 1.00 71.03 H new ATOM 0 HD22 LEU A 134 -6.346 -2.747 -0.106 1.00 71.03 H new ATOM 0 HD23 LEU A 134 -5.428 -2.407 -1.592 1.00 71.03 H new ATOM 2053 N ASN A 135 -9.711 -1.758 -4.458 1.00 21.54 N ATOM 2054 CA ASN A 135 -10.933 -2.212 -5.170 1.00 2.12 C ATOM 2055 C ASN A 135 -10.555 -3.127 -6.349 1.00 31.21 C ATOM 2056 O ASN A 135 -11.196 -4.149 -6.567 1.00 71.12 O ATOM 2057 CB ASN A 135 -11.784 -1.011 -5.674 1.00 5.10 C ATOM 2058 CG ASN A 135 -12.382 -0.169 -4.543 1.00 32.22 C ATOM 2059 OD1 ASN A 135 -12.694 -0.665 -3.462 1.00 71.02 O ATOM 2060 ND2 ASN A 135 -12.547 1.119 -4.784 1.00 11.24 N ATOM 0 H ASN A 135 -9.523 -0.760 -4.551 1.00 21.54 H new ATOM 0 HA ASN A 135 -11.539 -2.774 -4.460 1.00 2.12 H new ATOM 0 HB2 ASN A 135 -11.162 -0.373 -6.301 1.00 5.10 H new ATOM 0 HB3 ASN A 135 -12.591 -1.386 -6.303 1.00 5.10 H new ATOM 0 HD21 ASN A 135 -12.941 1.726 -4.065 1.00 11.24 H new ATOM 0 HD22 ASN A 135 -12.280 1.507 -5.689 1.00 11.24 H new ATOM 2067 N ALA A 136 -9.486 -2.748 -7.081 1.00 15.43 N ATOM 2068 CA ALA A 136 -8.926 -3.547 -8.200 1.00 22.21 C ATOM 2069 C ALA A 136 -8.448 -4.940 -7.733 1.00 55.35 C ATOM 2070 O ALA A 136 -8.602 -5.934 -8.450 1.00 24.22 O ATOM 2071 CB ALA A 136 -7.765 -2.783 -8.858 1.00 31.14 C ATOM 0 H ALA A 136 -8.983 -1.877 -6.915 1.00 15.43 H new ATOM 0 HA ALA A 136 -9.722 -3.702 -8.928 1.00 22.21 H new ATOM 0 HB1 ALA A 136 -7.359 -3.375 -9.678 1.00 31.14 H new ATOM 0 HB2 ALA A 136 -8.128 -1.830 -9.243 1.00 31.14 H new ATOM 0 HB3 ALA A 136 -6.984 -2.602 -8.120 1.00 31.14 H new ATOM 2077 N LEU A 137 -7.870 -4.984 -6.516 1.00 1.41 N ATOM 2078 CA LEU A 137 -7.422 -6.235 -5.864 1.00 55.31 C ATOM 2079 C LEU A 137 -8.635 -7.138 -5.551 1.00 44.01 C ATOM 2080 O LEU A 137 -8.597 -8.355 -5.769 1.00 12.41 O ATOM 2081 CB LEU A 137 -6.610 -5.884 -4.579 1.00 22.15 C ATOM 2082 CG LEU A 137 -5.785 -7.045 -3.906 1.00 41.04 C ATOM 2083 CD1 LEU A 137 -4.647 -6.486 -3.042 1.00 23.31 C ATOM 2084 CD2 LEU A 137 -6.653 -8.001 -3.057 1.00 33.12 C ATOM 0 H LEU A 137 -7.699 -4.150 -5.954 1.00 1.41 H new ATOM 0 HA LEU A 137 -6.770 -6.792 -6.537 1.00 55.31 H new ATOM 0 HB2 LEU A 137 -5.919 -5.079 -4.826 1.00 22.15 H new ATOM 0 HB3 LEU A 137 -7.305 -5.491 -3.838 1.00 22.15 H new ATOM 0 HG LEU A 137 -5.372 -7.626 -4.730 1.00 41.04 H new ATOM 0 HD11 LEU A 137 -4.095 -7.310 -2.590 1.00 23.31 H new ATOM 0 HD12 LEU A 137 -3.974 -5.896 -3.664 1.00 23.31 H new ATOM 0 HD13 LEU A 137 -5.063 -5.854 -2.257 1.00 23.31 H new ATOM 0 HD21 LEU A 137 -6.022 -8.776 -2.623 1.00 33.12 H new ATOM 0 HD22 LEU A 137 -7.139 -7.439 -2.259 1.00 33.12 H new ATOM 0 HD23 LEU A 137 -7.411 -8.462 -3.690 1.00 33.12 H new ATOM 2096 N ALA A 138 -9.707 -6.527 -5.041 1.00 53.31 N ATOM 2097 CA ALA A 138 -10.966 -7.236 -4.762 1.00 13.20 C ATOM 2098 C ALA A 138 -11.643 -7.723 -6.076 1.00 14.23 C ATOM 2099 O ALA A 138 -12.269 -8.785 -6.094 1.00 64.54 O ATOM 2100 CB ALA A 138 -11.901 -6.325 -3.952 1.00 73.44 C ATOM 0 H ALA A 138 -9.731 -5.534 -4.810 1.00 53.31 H new ATOM 0 HA ALA A 138 -10.747 -8.125 -4.171 1.00 13.20 H new ATOM 0 HB1 ALA A 138 -12.833 -6.851 -3.746 1.00 73.44 H new ATOM 0 HB2 ALA A 138 -11.421 -6.055 -3.011 1.00 73.44 H new ATOM 0 HB3 ALA A 138 -12.113 -5.421 -4.523 1.00 73.44 H new ATOM 2106 N GLU A 139 -11.476 -6.941 -7.176 1.00 35.50 N ATOM 2107 CA GLU A 139 -12.084 -7.234 -8.501 1.00 10.25 C ATOM 2108 C GLU A 139 -11.461 -8.465 -9.184 1.00 24.40 C ATOM 2109 O GLU A 139 -12.190 -9.356 -9.641 1.00 72.14 O ATOM 2110 CB GLU A 139 -12.020 -5.992 -9.438 1.00 32.23 C ATOM 2111 CG GLU A 139 -12.987 -4.863 -9.053 1.00 1.34 C ATOM 2112 CD GLU A 139 -12.909 -3.650 -9.996 1.00 1.02 C ATOM 2113 OE1 GLU A 139 -11.909 -2.905 -9.942 1.00 45.43 O ATOM 2114 OE2 GLU A 139 -13.839 -3.447 -10.811 1.00 23.12 O ATOM 0 H GLU A 139 -10.915 -6.089 -7.168 1.00 35.50 H new ATOM 0 HA GLU A 139 -13.131 -7.473 -8.312 1.00 10.25 H new ATOM 0 HB2 GLU A 139 -11.003 -5.601 -9.435 1.00 32.23 H new ATOM 0 HB3 GLU A 139 -12.237 -6.309 -10.458 1.00 32.23 H new ATOM 0 HG2 GLU A 139 -14.006 -5.250 -9.053 1.00 1.34 H new ATOM 0 HG3 GLU A 139 -12.770 -4.538 -8.035 1.00 1.34 H new ATOM 2121 N ARG A 140 -10.120 -8.520 -9.221 1.00 13.21 N ATOM 2122 CA ARG A 140 -9.372 -9.624 -9.883 1.00 34.22 C ATOM 2123 C ARG A 140 -9.619 -11.005 -9.201 1.00 45.41 C ATOM 2124 O ARG A 140 -9.389 -12.052 -9.806 1.00 11.23 O ATOM 2125 CB ARG A 140 -7.855 -9.269 -9.954 1.00 54.24 C ATOM 2126 CG ARG A 140 -7.198 -8.866 -8.595 1.00 11.54 C ATOM 2127 CD ARG A 140 -6.203 -9.901 -8.041 1.00 0.32 C ATOM 2128 NE ARG A 140 -5.027 -10.034 -8.914 1.00 32.11 N ATOM 2129 CZ ARG A 140 -4.245 -11.084 -8.994 1.00 32.15 C ATOM 2130 NH1 ARG A 140 -4.457 -12.146 -8.274 1.00 55.25 N ATOM 2131 NH2 ARG A 140 -3.248 -11.053 -9.806 1.00 52.11 N ATOM 0 H ARG A 140 -9.519 -7.811 -8.799 1.00 13.21 H new ATOM 0 HA ARG A 140 -9.751 -9.726 -10.900 1.00 34.22 H new ATOM 0 HB2 ARG A 140 -7.317 -10.126 -10.358 1.00 54.24 H new ATOM 0 HB3 ARG A 140 -7.724 -8.448 -10.659 1.00 54.24 H new ATOM 0 HG2 ARG A 140 -6.681 -7.915 -8.723 1.00 11.54 H new ATOM 0 HG3 ARG A 140 -7.985 -8.705 -7.858 1.00 11.54 H new ATOM 0 HD2 ARG A 140 -5.885 -9.604 -7.042 1.00 0.32 H new ATOM 0 HD3 ARG A 140 -6.697 -10.868 -7.944 1.00 0.32 H new ATOM 0 HE ARG A 140 -4.799 -9.239 -9.511 1.00 32.11 H new ATOM 0 HH11 ARG A 140 -5.246 -12.175 -7.629 1.00 55.25 H new ATOM 0 HH12 ARG A 140 -3.834 -12.950 -8.355 1.00 55.25 H new ATOM 0 HH21 ARG A 140 -3.077 -10.222 -10.373 1.00 52.11 H new ATOM 0 HH22 ARG A 140 -2.628 -11.859 -9.883 1.00 52.11 H new ATOM 2145 N TYR A 141 -10.087 -10.998 -7.935 1.00 43.41 N ATOM 2146 CA TYR A 141 -10.567 -12.223 -7.246 1.00 11.14 C ATOM 2147 C TYR A 141 -12.094 -12.438 -7.444 1.00 21.10 C ATOM 2148 O TYR A 141 -12.531 -13.562 -7.732 1.00 74.04 O ATOM 2149 CB TYR A 141 -10.229 -12.168 -5.740 1.00 60.45 C ATOM 2150 CG TYR A 141 -8.732 -12.296 -5.419 1.00 51.54 C ATOM 2151 CD1 TYR A 141 -8.023 -13.468 -5.706 1.00 35.34 C ATOM 2152 CD2 TYR A 141 -8.041 -11.270 -4.791 1.00 62.21 C ATOM 2153 CE1 TYR A 141 -6.687 -13.598 -5.365 1.00 11.23 C ATOM 2154 CE2 TYR A 141 -6.713 -11.390 -4.453 1.00 31.44 C ATOM 2155 CZ TYR A 141 -6.038 -12.559 -4.737 1.00 4.13 C ATOM 2156 OH TYR A 141 -4.712 -12.686 -4.391 1.00 64.44 O ATOM 0 H TYR A 141 -10.144 -10.155 -7.364 1.00 43.41 H new ATOM 0 HA TYR A 141 -10.050 -13.071 -7.696 1.00 11.14 H new ATOM 0 HB2 TYR A 141 -10.596 -11.226 -5.332 1.00 60.45 H new ATOM 0 HB3 TYR A 141 -10.767 -12.967 -5.230 1.00 60.45 H new ATOM 0 HD1 TYR A 141 -8.526 -14.285 -6.202 1.00 35.34 H new ATOM 0 HD2 TYR A 141 -8.560 -10.351 -4.561 1.00 62.21 H new ATOM 0 HE1 TYR A 141 -6.156 -14.511 -5.591 1.00 11.23 H new ATOM 0 HE2 TYR A 141 -6.201 -10.572 -3.967 1.00 31.44 H new ATOM 0 HH TYR A 141 -4.265 -13.285 -5.024 1.00 64.44 H new ATOM 2166 N GLY A 142 -12.896 -11.359 -7.305 1.00 33.25 N ATOM 2167 CA GLY A 142 -14.369 -11.477 -7.364 1.00 74.33 C ATOM 2168 C GLY A 142 -15.123 -10.189 -6.993 1.00 4.13 C ATOM 2169 O GLY A 142 -15.959 -10.203 -6.087 1.00 51.03 O ATOM 0 H GLY A 142 -12.554 -10.410 -7.153 1.00 33.25 H new ATOM 0 HA2 GLY A 142 -14.658 -11.775 -8.372 1.00 74.33 H new ATOM 0 HA3 GLY A 142 -14.685 -12.275 -6.692 1.00 74.33 H new