USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1032 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 71 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 83 CYS SG : rot 56:sc= -1.45 USER MOD Set 2.1: A 8 SER OG : rot 180:sc= -0.0169 USER MOD Set 2.2: A 51 TYR OH : rot 13:sc= 0.413 USER MOD Set 2.3: A 53 HIS : no HE2:sc= 0.084 K(o=0.48,f=-8.2!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 167:sc= 1.88 (180deg=0.815) USER MOD Set 3.2: A 121 GLN : amide:sc= -6.09! C(o=-4.2!,f=-13!) USER MOD Set 4.1: A 3 TYR OH : rot 165:sc= 0.262 USER MOD Set 4.2: A 129 LYS NZ :NH3+ 169:sc= 0.139 (180deg=-0.0238) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.855 USER MOD Single : A 17 GLN : amide:sc= -1.29 K(o=-1.3,f=-6.2!) USER MOD Single : A 18 GLN : amide:sc= -0.869 K(o=-0.87,f=-5.4!) USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= 1.23 (180deg=0.867) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00231 USER MOD Single : A 33 ASN : amide:sc= -0.284 K(o=-0.28,f=-8!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=-0.18) USER MOD Single : A 40 MET CE :methyl 169:sc= -1.45 (180deg=-1.67) USER MOD Single : A 43 MET CE :methyl 157:sc= 0 (180deg=-0.139) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -40:sc= -0.403 USER MOD Single : A 55 ASN : amide:sc= 0.966 K(o=0.97,f=-1.6!) USER MOD Single : A 58 LYS NZ :NH3+ 133:sc= 1.22 (180deg=0.203) USER MOD Single : A 87 LYS NZ :NH3+ -114:sc= 1.22 (180deg=0.566) USER MOD Single : A 90 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0437) USER MOD Single : A 93 LYS NZ :NH3+ -136:sc= 0.12 (180deg=-0.156) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00139 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -114:sc= -2.64 (180deg=-3.38!) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 169:sc= -0.39 (180deg=-0.55) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -39:sc= 1.19 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot -88:sc= 0.702 USER MOD Single : A 132 CYS SG : rot 76:sc= 1.1 USER MOD Single : A 133 LYS NZ :NH3+ -153:sc= -0.741 (180deg=-2.34!) USER MOD Single : A 134 MET CE :methyl 137:sc= -0.506 (180deg=-1.99) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 118.175 5.163 -10.320 1.00 0.00 N ATOM 20 CA ALA A 2 117.360 6.045 -9.501 1.00 0.00 C ATOM 21 C ALA A 2 117.260 5.505 -8.082 1.00 0.00 C ATOM 22 O ALA A 2 117.701 4.388 -7.801 1.00 0.00 O ATOM 23 CB ALA A 2 115.977 6.219 -10.111 1.00 0.00 C ATOM 0 HA ALA A 2 117.838 7.024 -9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 2 115.383 6.883 -9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 2 116.071 6.650 -11.108 1.00 0.00 H new ATOM 0 HB3 ALA A 2 115.485 5.249 -10.180 1.00 0.00 H new ATOM 29 N TYR A 3 116.678 6.285 -7.191 1.00 0.00 N ATOM 30 CA TYR A 3 116.629 5.914 -5.789 1.00 0.00 C ATOM 31 C TYR A 3 115.191 5.806 -5.303 1.00 0.00 C ATOM 32 O TYR A 3 114.357 6.674 -5.581 1.00 0.00 O ATOM 33 CB TYR A 3 117.404 6.933 -4.954 1.00 0.00 C ATOM 34 CG TYR A 3 118.835 7.123 -5.406 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.705 6.043 -5.511 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.320 8.386 -5.715 1.00 0.00 C ATOM 37 CE1 TYR A 3 121.015 6.217 -5.911 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.628 8.569 -6.119 1.00 0.00 C ATOM 39 CZ TYR A 3 121.471 7.483 -6.214 1.00 0.00 C ATOM 40 OH TYR A 3 122.778 7.667 -6.606 1.00 0.00 O ATOM 0 H TYR A 3 116.234 7.176 -7.411 1.00 0.00 H new ATOM 0 HA TYR A 3 117.094 4.935 -5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 3 116.888 7.892 -4.996 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.400 6.614 -3.912 1.00 0.00 H new ATOM 0 HD1 TYR A 3 119.350 5.051 -5.275 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.664 9.240 -5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.678 5.368 -5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 3 120.988 9.558 -6.359 1.00 0.00 H new ATOM 0 HH TYR A 3 122.878 8.558 -7.002 1.00 0.00 H new ATOM 50 N TRP A 4 114.903 4.731 -4.590 1.00 0.00 N ATOM 51 CA TRP A 4 113.563 4.481 -4.082 1.00 0.00 C ATOM 52 C TRP A 4 113.628 4.078 -2.613 1.00 0.00 C ATOM 53 O TRP A 4 114.706 4.023 -2.022 1.00 0.00 O ATOM 54 CB TRP A 4 112.883 3.366 -4.891 1.00 0.00 C ATOM 55 CG TRP A 4 112.877 3.600 -6.375 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.773 3.111 -7.282 1.00 0.00 C ATOM 57 CD2 TRP A 4 111.932 4.375 -7.122 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.445 3.536 -8.546 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.319 4.312 -8.476 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.797 5.116 -6.780 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.608 4.962 -9.483 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.094 5.759 -7.781 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.501 5.680 -9.117 1.00 0.00 C ATOM 0 H TRP A 4 115.584 4.012 -4.348 1.00 0.00 H new ATOM 0 HA TRP A 4 112.980 5.397 -4.180 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.389 2.423 -4.685 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.854 3.258 -4.547 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.617 2.482 -7.040 1.00 0.00 H new ATOM 0 HE1 TRP A 4 113.957 3.310 -9.399 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.475 5.185 -5.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 111.919 4.902 -10.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.215 6.333 -7.527 1.00 0.00 H new ATOM 0 HH2 TRP A 4 109.931 6.196 -9.875 1.00 0.00 H new ATOM 74 N LEU A 5 112.477 3.801 -2.025 1.00 0.00 N ATOM 75 CA LEU A 5 112.414 3.307 -0.659 1.00 0.00 C ATOM 76 C LEU A 5 111.201 2.399 -0.517 1.00 0.00 C ATOM 77 O LEU A 5 110.088 2.790 -0.869 1.00 0.00 O ATOM 78 CB LEU A 5 112.342 4.485 0.328 1.00 0.00 C ATOM 79 CG LEU A 5 112.634 4.152 1.802 1.00 0.00 C ATOM 80 CD1 LEU A 5 113.024 5.414 2.557 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.429 3.503 2.471 1.00 0.00 C ATOM 0 H LEU A 5 111.568 3.910 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 5 113.313 2.735 -0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 5 113.048 5.249 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.346 4.924 0.266 1.00 0.00 H new ATOM 0 HG LEU A 5 113.462 3.444 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 5 113.228 5.166 3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.916 5.847 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 5 112.207 6.134 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.667 3.280 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.580 4.185 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 5 111.177 2.579 1.950 1.00 0.00 H new ATOM 93 N VAL A 6 111.421 1.189 -0.018 1.00 0.00 N ATOM 94 CA VAL A 6 110.350 0.211 0.139 1.00 0.00 C ATOM 95 C VAL A 6 110.130 -0.116 1.612 1.00 0.00 C ATOM 96 O VAL A 6 111.079 -0.155 2.399 1.00 0.00 O ATOM 97 CB VAL A 6 110.648 -1.092 -0.640 1.00 0.00 C ATOM 98 CG1 VAL A 6 110.630 -0.834 -2.140 1.00 0.00 C ATOM 99 CG2 VAL A 6 111.984 -1.691 -0.219 1.00 0.00 C ATOM 0 H VAL A 6 112.337 0.859 0.287 1.00 0.00 H new ATOM 0 HA VAL A 6 109.445 0.658 -0.272 1.00 0.00 H new ATOM 0 HB VAL A 6 109.865 -1.812 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 6 110.842 -1.762 -2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 6 109.648 -0.464 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.388 -0.091 -2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.167 -2.606 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 6 112.782 -0.976 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 6 111.960 -1.920 0.846 1.00 0.00 H new ATOM 109 N LYS A 7 108.878 -0.329 1.986 1.00 0.00 N ATOM 110 CA LYS A 7 108.545 -0.660 3.362 1.00 0.00 C ATOM 111 C LYS A 7 108.198 -2.133 3.499 1.00 0.00 C ATOM 112 O LYS A 7 107.295 -2.639 2.829 1.00 0.00 O ATOM 113 CB LYS A 7 107.381 0.191 3.865 1.00 0.00 C ATOM 114 CG LYS A 7 107.727 1.658 4.032 1.00 0.00 C ATOM 115 CD LYS A 7 106.626 2.407 4.762 1.00 0.00 C ATOM 116 CE LYS A 7 106.996 3.862 4.967 1.00 0.00 C ATOM 117 NZ LYS A 7 107.232 4.544 3.674 1.00 0.00 N ATOM 0 H LYS A 7 108.077 -0.279 1.357 1.00 0.00 H new ATOM 0 HA LYS A 7 109.424 -0.447 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.548 0.100 3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 7 107.040 -0.204 4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 7 108.662 1.752 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 7 107.889 2.109 3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.699 2.342 4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.441 1.937 5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.198 4.370 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 7 107.892 3.928 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 107.265 5.572 3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 108.136 4.224 3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 106.460 4.316 3.015 1.00 0.00 H new ATOM 131 N SER A 8 108.922 -2.811 4.371 1.00 0.00 N ATOM 132 CA SER A 8 108.675 -4.211 4.648 1.00 0.00 C ATOM 133 C SER A 8 108.475 -4.409 6.146 1.00 0.00 C ATOM 134 O SER A 8 108.987 -3.635 6.957 1.00 0.00 O ATOM 135 CB SER A 8 109.842 -5.065 4.140 1.00 0.00 C ATOM 136 OG SER A 8 109.589 -6.447 4.319 1.00 0.00 O ATOM 0 H SER A 8 109.693 -2.408 4.903 1.00 0.00 H new ATOM 0 HA SER A 8 107.770 -4.527 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 8 110.012 -4.859 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 8 110.754 -4.789 4.670 1.00 0.00 H new ATOM 0 HG SER A 8 110.350 -6.965 3.984 1.00 0.00 H new ATOM 142 N GLU A 9 107.725 -5.432 6.512 1.00 0.00 N ATOM 143 CA GLU A 9 107.450 -5.707 7.911 1.00 0.00 C ATOM 144 C GLU A 9 108.014 -7.065 8.309 1.00 0.00 C ATOM 145 O GLU A 9 107.812 -8.057 7.607 1.00 0.00 O ATOM 146 CB GLU A 9 105.947 -5.647 8.175 1.00 0.00 C ATOM 147 CG GLU A 9 105.367 -4.254 8.004 1.00 0.00 C ATOM 148 CD GLU A 9 103.871 -4.217 8.206 1.00 0.00 C ATOM 149 OE1 GLU A 9 103.418 -4.436 9.348 1.00 0.00 O ATOM 150 OE2 GLU A 9 103.142 -3.964 7.223 1.00 0.00 O ATOM 0 H GLU A 9 107.295 -6.087 5.859 1.00 0.00 H new ATOM 0 HA GLU A 9 107.938 -4.945 8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 9 105.438 -6.332 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 9 105.748 -5.995 9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 9 105.842 -3.577 8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 9 105.604 -3.886 7.006 1.00 0.00 H new ATOM 157 N PRO A 10 108.714 -7.123 9.457 1.00 0.00 N ATOM 158 CA PRO A 10 109.403 -8.337 9.919 1.00 0.00 C ATOM 159 C PRO A 10 108.440 -9.478 10.223 1.00 0.00 C ATOM 160 O PRO A 10 108.846 -10.635 10.328 1.00 0.00 O ATOM 161 CB PRO A 10 110.121 -7.887 11.194 1.00 0.00 C ATOM 162 CG PRO A 10 109.382 -6.676 11.648 1.00 0.00 C ATOM 163 CD PRO A 10 108.881 -6.004 10.401 1.00 0.00 C ATOM 0 HA PRO A 10 110.074 -8.731 9.156 1.00 0.00 H new ATOM 0 HB2 PRO A 10 110.102 -8.668 11.954 1.00 0.00 H new ATOM 0 HB3 PRO A 10 111.169 -7.659 10.997 1.00 0.00 H new ATOM 0 HG2 PRO A 10 108.555 -6.947 12.304 1.00 0.00 H new ATOM 0 HG3 PRO A 10 110.034 -6.011 12.215 1.00 0.00 H new ATOM 0 HD2 PRO A 10 107.941 -5.481 10.576 1.00 0.00 H new ATOM 0 HD3 PRO A 10 109.591 -5.266 10.029 1.00 0.00 H new ATOM 171 N SER A 11 107.162 -9.142 10.350 1.00 0.00 N ATOM 172 CA SER A 11 106.125 -10.132 10.595 1.00 0.00 C ATOM 173 C SER A 11 105.919 -11.017 9.365 1.00 0.00 C ATOM 174 O SER A 11 105.293 -12.076 9.444 1.00 0.00 O ATOM 175 CB SER A 11 104.816 -9.432 10.965 1.00 0.00 C ATOM 176 OG SER A 11 105.011 -8.524 12.038 1.00 0.00 O ATOM 0 H SER A 11 106.819 -8.183 10.286 1.00 0.00 H new ATOM 0 HA SER A 11 106.440 -10.766 11.424 1.00 0.00 H new ATOM 0 HB2 SER A 11 104.427 -8.898 10.098 1.00 0.00 H new ATOM 0 HB3 SER A 11 104.068 -10.175 11.244 1.00 0.00 H new ATOM 0 HG SER A 11 104.161 -8.087 12.256 1.00 0.00 H new ATOM 182 N VAL A 12 106.442 -10.572 8.229 1.00 0.00 N ATOM 183 CA VAL A 12 106.343 -11.331 6.991 1.00 0.00 C ATOM 184 C VAL A 12 107.730 -11.576 6.405 1.00 0.00 C ATOM 185 O VAL A 12 108.177 -12.719 6.290 1.00 0.00 O ATOM 186 CB VAL A 12 105.469 -10.606 5.940 1.00 0.00 C ATOM 187 CG1 VAL A 12 105.328 -11.452 4.683 1.00 0.00 C ATOM 188 CG2 VAL A 12 104.100 -10.272 6.514 1.00 0.00 C ATOM 0 H VAL A 12 106.940 -9.686 8.141 1.00 0.00 H new ATOM 0 HA VAL A 12 105.870 -12.282 7.235 1.00 0.00 H new ATOM 0 HB VAL A 12 105.965 -9.673 5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 12 104.710 -10.924 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 12 106.314 -11.635 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 12 104.859 -12.403 4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 12 103.503 -9.763 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 12 103.597 -11.191 6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 12 104.218 -9.622 7.381 1.00 0.00 H new ATOM 198 N TRP A 13 108.420 -10.496 6.065 1.00 0.00 N ATOM 199 CA TRP A 13 109.720 -10.594 5.420 1.00 0.00 C ATOM 200 C TRP A 13 110.774 -9.857 6.239 1.00 0.00 C ATOM 201 O TRP A 13 110.583 -8.703 6.624 1.00 0.00 O ATOM 202 CB TRP A 13 109.641 -10.020 4.000 1.00 0.00 C ATOM 203 CG TRP A 13 110.891 -10.214 3.194 1.00 0.00 C ATOM 204 CD1 TRP A 13 111.863 -9.287 2.956 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.297 -11.407 2.510 1.00 0.00 C ATOM 206 NE1 TRP A 13 112.851 -9.830 2.171 1.00 0.00 N ATOM 207 CE2 TRP A 13 112.526 -11.128 1.882 1.00 0.00 C ATOM 208 CE3 TRP A 13 110.744 -12.683 2.369 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.211 -12.079 1.131 1.00 0.00 C ATOM 210 CZ3 TRP A 13 111.423 -13.626 1.619 1.00 0.00 C ATOM 211 CH2 TRP A 13 112.645 -13.318 1.007 1.00 0.00 C ATOM 0 H TRP A 13 108.100 -9.541 6.226 1.00 0.00 H new ATOM 0 HA TRP A 13 110.008 -11.643 5.358 1.00 0.00 H new ATOM 0 HB2 TRP A 13 108.807 -10.487 3.476 1.00 0.00 H new ATOM 0 HB3 TRP A 13 109.422 -8.954 4.062 1.00 0.00 H new ATOM 0 HD1 TRP A 13 111.857 -8.274 3.330 1.00 0.00 H new ATOM 0 HE1 TRP A 13 113.691 -9.345 1.855 1.00 0.00 H new ATOM 0 HE3 TRP A 13 109.802 -12.928 2.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.156 -11.847 0.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 111.005 -14.615 1.503 1.00 0.00 H new ATOM 0 HH2 TRP A 13 113.151 -14.075 0.425 1.00 0.00 H new ATOM 222 N SER A 14 111.877 -10.531 6.515 1.00 0.00 N ATOM 223 CA SER A 14 112.949 -9.943 7.294 1.00 0.00 C ATOM 224 C SER A 14 114.152 -9.625 6.409 1.00 0.00 C ATOM 225 O SER A 14 114.161 -9.945 5.219 1.00 0.00 O ATOM 226 CB SER A 14 113.343 -10.897 8.419 1.00 0.00 C ATOM 227 OG SER A 14 113.676 -12.179 7.913 1.00 0.00 O ATOM 0 H SER A 14 112.052 -11.488 6.210 1.00 0.00 H new ATOM 0 HA SER A 14 112.600 -9.006 7.727 1.00 0.00 H new ATOM 0 HB2 SER A 14 114.192 -10.487 8.966 1.00 0.00 H new ATOM 0 HB3 SER A 14 112.520 -10.986 9.128 1.00 0.00 H new ATOM 0 HG SER A 14 113.926 -12.769 8.655 1.00 0.00 H new ATOM 233 N TRP A 15 115.160 -8.990 6.990 1.00 0.00 N ATOM 234 CA TRP A 15 116.373 -8.643 6.257 1.00 0.00 C ATOM 235 C TRP A 15 117.255 -9.880 6.123 1.00 0.00 C ATOM 236 O TRP A 15 117.982 -10.040 5.142 1.00 0.00 O ATOM 237 CB TRP A 15 117.109 -7.506 6.985 1.00 0.00 C ATOM 238 CG TRP A 15 118.425 -7.102 6.375 1.00 0.00 C ATOM 239 CD1 TRP A 15 119.651 -7.172 6.973 1.00 0.00 C ATOM 240 CD2 TRP A 15 118.651 -6.561 5.063 1.00 0.00 C ATOM 241 NE1 TRP A 15 120.622 -6.701 6.121 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.035 -6.325 4.944 1.00 0.00 C ATOM 243 CE3 TRP A 15 117.823 -6.253 3.980 1.00 0.00 C ATOM 244 CZ2 TRP A 15 120.606 -5.798 3.791 1.00 0.00 C ATOM 245 CZ3 TRP A 15 118.395 -5.730 2.833 1.00 0.00 C ATOM 246 CH2 TRP A 15 119.773 -5.508 2.747 1.00 0.00 C ATOM 0 H TRP A 15 115.163 -8.703 7.969 1.00 0.00 H new ATOM 0 HA TRP A 15 116.119 -8.294 5.256 1.00 0.00 H new ATOM 0 HB2 TRP A 15 116.457 -6.633 7.015 1.00 0.00 H new ATOM 0 HB3 TRP A 15 117.283 -7.809 8.017 1.00 0.00 H new ATOM 0 HD1 TRP A 15 119.832 -7.544 7.971 1.00 0.00 H new ATOM 0 HE1 TRP A 15 121.618 -6.642 6.332 1.00 0.00 H new ATOM 0 HE3 TRP A 15 116.757 -6.420 4.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 121.670 -5.624 3.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 117.766 -5.489 1.989 1.00 0.00 H new ATOM 0 HH2 TRP A 15 120.187 -5.099 1.837 1.00 0.00 H new ATOM 257 N ASP A 16 117.135 -10.771 7.101 1.00 0.00 N ATOM 258 CA ASP A 16 117.912 -12.008 7.139 1.00 0.00 C ATOM 259 C ASP A 16 117.644 -12.857 5.902 1.00 0.00 C ATOM 260 O ASP A 16 118.564 -13.422 5.314 1.00 0.00 O ATOM 261 CB ASP A 16 117.566 -12.820 8.392 1.00 0.00 C ATOM 262 CG ASP A 16 117.715 -12.023 9.672 1.00 0.00 C ATOM 263 OD1 ASP A 16 116.745 -11.339 10.067 1.00 0.00 O ATOM 264 OD2 ASP A 16 118.794 -12.081 10.294 1.00 0.00 O ATOM 0 H ASP A 16 116.498 -10.658 7.889 1.00 0.00 H new ATOM 0 HA ASP A 16 118.967 -11.736 7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 16 116.541 -13.182 8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 16 118.211 -13.698 8.439 1.00 0.00 H new ATOM 269 N GLN A 17 116.376 -12.930 5.506 1.00 0.00 N ATOM 270 CA GLN A 17 115.972 -13.732 4.354 1.00 0.00 C ATOM 271 C GLN A 17 116.623 -13.222 3.073 1.00 0.00 C ATOM 272 O GLN A 17 117.017 -14.004 2.210 1.00 0.00 O ATOM 273 CB GLN A 17 114.448 -13.719 4.205 1.00 0.00 C ATOM 274 CG GLN A 17 113.703 -14.271 5.411 1.00 0.00 C ATOM 275 CD GLN A 17 113.929 -15.758 5.633 1.00 0.00 C ATOM 276 OE1 GLN A 17 114.981 -16.306 5.297 1.00 0.00 O ATOM 277 NE2 GLN A 17 112.934 -16.422 6.197 1.00 0.00 N ATOM 0 H GLN A 17 115.608 -12.442 5.967 1.00 0.00 H new ATOM 0 HA GLN A 17 116.307 -14.755 4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 17 114.120 -12.695 4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 17 114.174 -14.301 3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 17 114.016 -13.727 6.302 1.00 0.00 H new ATOM 0 HG3 GLN A 17 112.636 -14.088 5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 17 112.079 -15.932 6.461 1.00 0.00 H new ATOM 0 HE22 GLN A 17 113.022 -17.424 6.368 1.00 0.00 H new ATOM 286 N GLN A 18 116.746 -11.906 2.961 1.00 0.00 N ATOM 287 CA GLN A 18 117.370 -11.296 1.794 1.00 0.00 C ATOM 288 C GLN A 18 118.870 -11.558 1.790 1.00 0.00 C ATOM 289 O GLN A 18 119.443 -11.893 0.758 1.00 0.00 O ATOM 290 CB GLN A 18 117.103 -9.791 1.762 1.00 0.00 C ATOM 291 CG GLN A 18 116.123 -9.358 0.682 1.00 0.00 C ATOM 292 CD GLN A 18 116.616 -9.668 -0.720 1.00 0.00 C ATOM 293 OE1 GLN A 18 117.817 -9.727 -0.970 1.00 0.00 O ATOM 294 NE2 GLN A 18 115.692 -9.851 -1.647 1.00 0.00 N ATOM 0 H GLN A 18 116.422 -11.241 3.663 1.00 0.00 H new ATOM 0 HA GLN A 18 116.932 -11.747 0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 18 116.718 -9.480 2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 18 118.048 -9.268 1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 18 115.167 -9.856 0.844 1.00 0.00 H new ATOM 0 HG3 GLN A 18 115.943 -8.287 0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 18 114.704 -9.794 -1.400 1.00 0.00 H new ATOM 0 HE22 GLN A 18 115.967 -10.049 -2.609 1.00 0.00 H new ATOM 303 N VAL A 19 119.498 -11.425 2.953 1.00 0.00 N ATOM 304 CA VAL A 19 120.933 -11.654 3.078 1.00 0.00 C ATOM 305 C VAL A 19 121.265 -13.121 2.818 1.00 0.00 C ATOM 306 O VAL A 19 122.342 -13.449 2.320 1.00 0.00 O ATOM 307 CB VAL A 19 121.452 -11.242 4.474 1.00 0.00 C ATOM 308 CG1 VAL A 19 122.951 -11.476 4.596 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.122 -9.787 4.755 1.00 0.00 C ATOM 0 H VAL A 19 119.036 -11.160 3.823 1.00 0.00 H new ATOM 0 HA VAL A 19 121.429 -11.034 2.331 1.00 0.00 H new ATOM 0 HB VAL A 19 120.951 -11.866 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 19 123.286 -11.177 5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.168 -12.533 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.474 -10.886 3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 19 121.495 -9.513 5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 19 121.592 -9.155 4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.042 -9.646 4.723 1.00 0.00 H new ATOM 319 N ALA A 20 120.324 -13.998 3.147 1.00 0.00 N ATOM 320 CA ALA A 20 120.481 -15.423 2.891 1.00 0.00 C ATOM 321 C ALA A 20 120.540 -15.700 1.392 1.00 0.00 C ATOM 322 O ALA A 20 121.035 -16.740 0.956 1.00 0.00 O ATOM 323 CB ALA A 20 119.342 -16.204 3.531 1.00 0.00 C ATOM 0 H ALA A 20 119.442 -13.745 3.593 1.00 0.00 H new ATOM 0 HA ALA A 20 121.421 -15.749 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 20 119.473 -17.268 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 20 119.344 -16.034 4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 20 118.392 -15.870 3.113 1.00 0.00 H new ATOM 329 N LYS A 21 120.029 -14.763 0.604 1.00 0.00 N ATOM 330 CA LYS A 21 120.056 -14.887 -0.844 1.00 0.00 C ATOM 331 C LYS A 21 121.174 -14.042 -1.431 1.00 0.00 C ATOM 332 O LYS A 21 121.919 -14.505 -2.293 1.00 0.00 O ATOM 333 CB LYS A 21 118.707 -14.481 -1.439 1.00 0.00 C ATOM 334 CG LYS A 21 117.568 -15.293 -0.871 1.00 0.00 C ATOM 335 CD LYS A 21 116.270 -15.121 -1.641 1.00 0.00 C ATOM 336 CE LYS A 21 115.176 -15.985 -1.030 1.00 0.00 C ATOM 337 NZ LYS A 21 113.986 -16.117 -1.910 1.00 0.00 N ATOM 0 H LYS A 21 119.590 -13.908 0.946 1.00 0.00 H new ATOM 0 HA LYS A 21 120.246 -15.930 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 21 118.529 -13.423 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 21 118.736 -14.606 -2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 21 117.846 -16.347 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 21 117.408 -15.005 0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 21 115.967 -14.074 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 21 116.419 -15.396 -2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 21 115.578 -16.976 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 21 114.871 -15.555 -0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 113.520 -17.029 -1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 113.320 -15.343 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 114.284 -16.071 -2.905 1.00 0.00 H new ATOM 351 N GLY A 22 121.277 -12.807 -0.957 1.00 0.00 N ATOM 352 CA GLY A 22 122.331 -11.913 -1.395 1.00 0.00 C ATOM 353 C GLY A 22 122.279 -11.637 -2.881 1.00 0.00 C ATOM 354 O GLY A 22 121.522 -10.781 -3.338 1.00 0.00 O ATOM 0 H GLY A 22 120.641 -12.405 -0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 22 122.253 -10.971 -0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 22 123.299 -12.347 -1.143 1.00 0.00 H new ATOM 358 N ALA A 23 123.069 -12.381 -3.638 1.00 0.00 N ATOM 359 CA ALA A 23 123.145 -12.197 -5.077 1.00 0.00 C ATOM 360 C ALA A 23 122.076 -13.007 -5.805 1.00 0.00 C ATOM 361 O ALA A 23 121.968 -12.938 -7.032 1.00 0.00 O ATOM 362 CB ALA A 23 124.531 -12.571 -5.580 1.00 0.00 C ATOM 0 H ALA A 23 123.670 -13.122 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 23 122.960 -11.144 -5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 23 124.577 -12.429 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 23 125.276 -11.937 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 23 124.735 -13.615 -5.342 1.00 0.00 H new ATOM 368 N ALA A 24 121.288 -13.778 -5.057 1.00 0.00 N ATOM 369 CA ALA A 24 120.230 -14.580 -5.656 1.00 0.00 C ATOM 370 C ALA A 24 119.066 -13.700 -6.086 1.00 0.00 C ATOM 371 O ALA A 24 118.409 -13.970 -7.093 1.00 0.00 O ATOM 372 CB ALA A 24 119.756 -15.652 -4.687 1.00 0.00 C ATOM 0 H ALA A 24 121.363 -13.862 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 24 120.635 -15.070 -6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 24 118.966 -16.240 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 24 120.590 -16.305 -4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 24 119.372 -15.181 -3.782 1.00 0.00 H new ATOM 378 N GLY A 25 118.830 -12.637 -5.326 1.00 0.00 N ATOM 379 CA GLY A 25 117.739 -11.736 -5.634 1.00 0.00 C ATOM 380 C GLY A 25 116.396 -12.295 -5.201 1.00 0.00 C ATOM 381 O GLY A 25 116.297 -13.456 -4.800 1.00 0.00 O ATOM 0 H GLY A 25 119.376 -12.384 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.909 -10.779 -5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 25 117.722 -11.542 -6.706 1.00 0.00 H new ATOM 385 N GLU A 26 115.366 -11.472 -5.280 1.00 0.00 N ATOM 386 CA GLU A 26 114.025 -11.879 -4.892 1.00 0.00 C ATOM 387 C GLU A 26 112.985 -11.036 -5.617 1.00 0.00 C ATOM 388 O GLU A 26 113.158 -9.831 -5.778 1.00 0.00 O ATOM 389 CB GLU A 26 113.842 -11.746 -3.377 1.00 0.00 C ATOM 390 CG GLU A 26 112.453 -12.128 -2.890 1.00 0.00 C ATOM 391 CD GLU A 26 112.114 -13.577 -3.171 1.00 0.00 C ATOM 392 OE1 GLU A 26 111.857 -13.919 -4.347 1.00 0.00 O ATOM 393 OE2 GLU A 26 112.098 -14.379 -2.219 1.00 0.00 O ATOM 0 H GLU A 26 115.433 -10.510 -5.612 1.00 0.00 H new ATOM 0 HA GLU A 26 113.889 -12.924 -5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 26 114.578 -12.374 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 26 114.049 -10.717 -3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 26 112.385 -11.944 -1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 26 111.715 -11.486 -3.371 1.00 0.00 H new ATOM 400 N ALA A 27 111.905 -11.671 -6.034 1.00 0.00 N ATOM 401 CA ALA A 27 110.827 -10.966 -6.703 1.00 0.00 C ATOM 402 C ALA A 27 109.903 -10.336 -5.669 1.00 0.00 C ATOM 403 O ALA A 27 109.263 -11.039 -4.886 1.00 0.00 O ATOM 404 CB ALA A 27 110.056 -11.908 -7.615 1.00 0.00 C ATOM 0 H ALA A 27 111.751 -12.673 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 27 111.251 -10.175 -7.321 1.00 0.00 H new ATOM 0 HB1 ALA A 27 109.252 -11.361 -8.107 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.730 -12.318 -8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 27 109.633 -12.721 -7.025 1.00 0.00 H new ATOM 410 N TRP A 28 109.856 -9.009 -5.664 1.00 0.00 N ATOM 411 CA TRP A 28 109.031 -8.277 -4.711 1.00 0.00 C ATOM 412 C TRP A 28 107.561 -8.432 -5.082 1.00 0.00 C ATOM 413 O TRP A 28 106.991 -7.609 -5.799 1.00 0.00 O ATOM 414 CB TRP A 28 109.440 -6.798 -4.679 1.00 0.00 C ATOM 415 CG TRP A 28 108.995 -6.069 -3.444 1.00 0.00 C ATOM 416 CD1 TRP A 28 108.265 -4.914 -3.389 1.00 0.00 C ATOM 417 CD2 TRP A 28 109.260 -6.443 -2.086 1.00 0.00 C ATOM 418 NE1 TRP A 28 108.068 -4.543 -2.078 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.666 -5.469 -1.260 1.00 0.00 C ATOM 420 CE3 TRP A 28 109.941 -7.509 -1.488 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.737 -5.530 0.130 1.00 0.00 C ATOM 422 CZ3 TRP A 28 110.011 -7.566 -0.109 1.00 0.00 C ATOM 423 CH2 TRP A 28 109.411 -6.584 0.687 1.00 0.00 C ATOM 0 H TRP A 28 110.380 -8.418 -6.310 1.00 0.00 H new ATOM 0 HA TRP A 28 109.182 -8.687 -3.712 1.00 0.00 H new ATOM 0 HB2 TRP A 28 110.525 -6.730 -4.758 1.00 0.00 H new ATOM 0 HB3 TRP A 28 109.025 -6.298 -5.554 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.897 -4.372 -4.248 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.561 -3.715 -1.766 1.00 0.00 H new ATOM 0 HE3 TRP A 28 110.404 -8.274 -2.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 108.277 -4.772 0.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 110.538 -8.382 0.362 1.00 0.00 H new ATOM 0 HH2 TRP A 28 109.481 -6.659 1.762 1.00 0.00 H new ATOM 434 N THR A 29 106.978 -9.524 -4.617 1.00 0.00 N ATOM 435 CA THR A 29 105.617 -9.887 -4.959 1.00 0.00 C ATOM 436 C THR A 29 104.662 -9.583 -3.808 1.00 0.00 C ATOM 437 O THR A 29 105.093 -9.381 -2.670 1.00 0.00 O ATOM 438 CB THR A 29 105.542 -11.386 -5.314 1.00 0.00 C ATOM 439 OG1 THR A 29 106.162 -12.164 -4.278 1.00 0.00 O ATOM 440 CG2 THR A 29 106.239 -11.666 -6.634 1.00 0.00 C ATOM 0 H THR A 29 107.438 -10.184 -3.990 1.00 0.00 H new ATOM 0 HA THR A 29 105.316 -9.294 -5.822 1.00 0.00 H new ATOM 0 HB THR A 29 104.491 -11.661 -5.406 1.00 0.00 H new ATOM 0 HG1 THR A 29 106.110 -13.115 -4.508 1.00 0.00 H new ATOM 0 HG21 THR A 29 106.172 -12.730 -6.862 1.00 0.00 H new ATOM 0 HG22 THR A 29 105.759 -11.094 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 29 107.287 -11.376 -6.561 1.00 0.00 H new ATOM 448 N GLY A 30 103.369 -9.549 -4.110 1.00 0.00 N ATOM 449 CA GLY A 30 102.374 -9.303 -3.085 1.00 0.00 C ATOM 450 C GLY A 30 102.026 -7.835 -2.961 1.00 0.00 C ATOM 451 O GLY A 30 101.525 -7.388 -1.925 1.00 0.00 O ATOM 0 H GLY A 30 102.992 -9.688 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 30 101.472 -9.870 -3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 30 102.745 -9.668 -2.127 1.00 0.00 H new ATOM 455 N VAL A 31 102.288 -7.082 -4.017 1.00 0.00 N ATOM 456 CA VAL A 31 102.003 -5.656 -4.024 1.00 0.00 C ATOM 457 C VAL A 31 100.568 -5.382 -4.470 1.00 0.00 C ATOM 458 O VAL A 31 100.202 -5.604 -5.621 1.00 0.00 O ATOM 459 CB VAL A 31 103.000 -4.877 -4.915 1.00 0.00 C ATOM 460 CG1 VAL A 31 104.370 -4.834 -4.259 1.00 0.00 C ATOM 461 CG2 VAL A 31 103.099 -5.496 -6.303 1.00 0.00 C ATOM 0 H VAL A 31 102.698 -7.435 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 31 102.121 -5.302 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 31 102.628 -3.859 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 31 105.062 -4.283 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 31 104.295 -4.338 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 31 104.738 -5.850 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 31 103.807 -4.927 -6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 31 103.442 -6.527 -6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 31 102.119 -5.478 -6.780 1.00 0.00 H new ATOM 471 N ARG A 32 99.749 -4.925 -3.535 1.00 0.00 N ATOM 472 CA ARG A 32 98.360 -4.590 -3.826 1.00 0.00 C ATOM 473 C ARG A 32 98.191 -3.076 -3.849 1.00 0.00 C ATOM 474 O ARG A 32 97.102 -2.550 -4.084 1.00 0.00 O ATOM 475 CB ARG A 32 97.437 -5.226 -2.783 1.00 0.00 C ATOM 476 CG ARG A 32 97.578 -4.631 -1.389 1.00 0.00 C ATOM 477 CD ARG A 32 97.114 -5.603 -0.316 1.00 0.00 C ATOM 478 NE ARG A 32 95.751 -6.085 -0.540 1.00 0.00 N ATOM 479 CZ ARG A 32 95.398 -7.367 -0.457 1.00 0.00 C ATOM 480 NH1 ARG A 32 96.320 -8.300 -0.248 1.00 0.00 N ATOM 481 NH2 ARG A 32 94.128 -7.719 -0.616 1.00 0.00 N ATOM 0 H ARG A 32 100.022 -4.777 -2.564 1.00 0.00 H new ATOM 0 HA ARG A 32 98.090 -4.984 -4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 32 96.404 -5.116 -3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 32 97.643 -6.295 -2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 32 98.619 -4.362 -1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 32 96.996 -3.712 -1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 32 97.795 -6.454 -0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 32 97.167 -5.115 0.657 1.00 0.00 H new ATOM 0 HE ARG A 32 95.031 -5.401 -0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 32 97.300 -8.036 -0.151 1.00 0.00 H new ATOM 0 HH12 ARG A 32 96.048 -9.281 -0.185 1.00 0.00 H new ATOM 0 HH21 ARG A 32 93.421 -7.008 -0.802 1.00 0.00 H new ATOM 0 HH22 ARG A 32 93.859 -8.701 -0.552 1.00 0.00 H new ATOM 495 N ASN A 33 99.295 -2.386 -3.611 1.00 0.00 N ATOM 496 CA ASN A 33 99.312 -0.933 -3.578 1.00 0.00 C ATOM 497 C ASN A 33 99.469 -0.385 -4.994 1.00 0.00 C ATOM 498 O ASN A 33 100.422 -0.718 -5.699 1.00 0.00 O ATOM 499 CB ASN A 33 100.452 -0.457 -2.666 1.00 0.00 C ATOM 500 CG ASN A 33 100.464 1.047 -2.433 1.00 0.00 C ATOM 501 OD1 ASN A 33 100.149 1.837 -3.317 1.00 0.00 O ATOM 502 ND2 ASN A 33 100.827 1.450 -1.227 1.00 0.00 N ATOM 0 H ASN A 33 100.203 -2.817 -3.436 1.00 0.00 H new ATOM 0 HA ASN A 33 98.370 -0.559 -3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 33 100.371 -0.964 -1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 33 101.404 -0.755 -3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 33 100.851 2.446 -1.008 1.00 0.00 H new ATOM 0 HD22 ASN A 33 101.083 0.765 -0.516 1.00 0.00 H new ATOM 509 N HIS A 34 98.531 0.458 -5.401 1.00 0.00 N ATOM 510 CA HIS A 34 98.513 0.983 -6.762 1.00 0.00 C ATOM 511 C HIS A 34 99.645 1.977 -6.986 1.00 0.00 C ATOM 512 O HIS A 34 100.318 1.933 -8.013 1.00 0.00 O ATOM 513 CB HIS A 34 97.166 1.637 -7.072 1.00 0.00 C ATOM 514 CG HIS A 34 96.043 0.656 -7.221 1.00 0.00 C ATOM 515 ND1 HIS A 34 95.465 0.355 -8.434 1.00 0.00 N ATOM 516 CD2 HIS A 34 95.384 -0.089 -6.301 1.00 0.00 C ATOM 517 CE1 HIS A 34 94.502 -0.528 -8.255 1.00 0.00 C ATOM 518 NE2 HIS A 34 94.431 -0.815 -6.969 1.00 0.00 N ATOM 0 H HIS A 34 97.771 0.794 -4.809 1.00 0.00 H new ATOM 0 HA HIS A 34 98.659 0.143 -7.442 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.921 2.339 -6.275 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.256 2.216 -7.991 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.574 -0.108 -5.238 1.00 0.00 H new ATOM 0 HE1 HIS A 34 93.877 -0.946 -9.030 1.00 0.00 H new ATOM 0 HE2 HIS A 34 93.775 -1.469 -6.542 1.00 0.00 H new ATOM 527 N SER A 35 99.863 2.858 -6.019 1.00 0.00 N ATOM 528 CA SER A 35 100.947 3.829 -6.102 1.00 0.00 C ATOM 529 C SER A 35 102.292 3.107 -6.158 1.00 0.00 C ATOM 530 O SER A 35 103.228 3.557 -6.825 1.00 0.00 O ATOM 531 CB SER A 35 100.898 4.786 -4.907 1.00 0.00 C ATOM 532 OG SER A 35 101.929 5.758 -4.978 1.00 0.00 O ATOM 0 H SER A 35 99.304 2.921 -5.168 1.00 0.00 H new ATOM 0 HA SER A 35 100.828 4.414 -7.014 1.00 0.00 H new ATOM 0 HB2 SER A 35 99.929 5.284 -4.877 1.00 0.00 H new ATOM 0 HB3 SER A 35 100.994 4.219 -3.981 1.00 0.00 H new ATOM 0 HG SER A 35 101.870 6.354 -4.203 1.00 0.00 H new ATOM 538 N ALA A 36 102.374 1.971 -5.469 1.00 0.00 N ATOM 539 CA ALA A 36 103.563 1.135 -5.522 1.00 0.00 C ATOM 540 C ALA A 36 103.771 0.624 -6.940 1.00 0.00 C ATOM 541 O ALA A 36 104.841 0.794 -7.514 1.00 0.00 O ATOM 542 CB ALA A 36 103.452 -0.025 -4.545 1.00 0.00 C ATOM 0 H ALA A 36 101.631 1.612 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 36 104.426 1.735 -5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.353 -0.636 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 36 103.340 0.362 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.584 -0.633 -4.799 1.00 0.00 H new ATOM 548 N LYS A 37 102.720 0.027 -7.504 1.00 0.00 N ATOM 549 CA LYS A 37 102.740 -0.471 -8.880 1.00 0.00 C ATOM 550 C LYS A 37 103.225 0.607 -9.851 1.00 0.00 C ATOM 551 O LYS A 37 104.107 0.362 -10.675 1.00 0.00 O ATOM 552 CB LYS A 37 101.336 -0.945 -9.279 1.00 0.00 C ATOM 553 CG LYS A 37 101.174 -1.249 -10.763 1.00 0.00 C ATOM 554 CD LYS A 37 99.726 -1.572 -11.106 1.00 0.00 C ATOM 555 CE LYS A 37 99.487 -1.582 -12.610 1.00 0.00 C ATOM 556 NZ LYS A 37 100.230 -2.673 -13.299 1.00 0.00 N ATOM 0 H LYS A 37 101.834 -0.125 -7.022 1.00 0.00 H new ATOM 0 HA LYS A 37 103.436 -1.308 -8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.092 -1.841 -8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.613 -0.180 -8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 37 101.507 -0.393 -11.350 1.00 0.00 H new ATOM 0 HG3 LYS A 37 101.811 -2.090 -11.036 1.00 0.00 H new ATOM 0 HD2 LYS A 37 99.463 -2.545 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 37 99.070 -0.837 -10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 37 98.420 -1.695 -12.804 1.00 0.00 H new ATOM 0 HE3 LYS A 37 99.788 -0.622 -13.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 100.034 -2.636 -14.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 101.251 -2.553 -13.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 99.926 -3.593 -12.921 1.00 0.00 H new ATOM 570 N LEU A 38 102.659 1.802 -9.731 1.00 0.00 N ATOM 571 CA LEU A 38 103.006 2.914 -10.613 1.00 0.00 C ATOM 572 C LEU A 38 104.485 3.286 -10.499 1.00 0.00 C ATOM 573 O LEU A 38 105.115 3.659 -11.489 1.00 0.00 O ATOM 574 CB LEU A 38 102.132 4.136 -10.306 1.00 0.00 C ATOM 575 CG LEU A 38 100.823 4.239 -11.105 1.00 0.00 C ATOM 576 CD1 LEU A 38 99.969 2.990 -10.938 1.00 0.00 C ATOM 577 CD2 LEU A 38 100.040 5.474 -10.681 1.00 0.00 C ATOM 0 H LEU A 38 101.955 2.028 -9.029 1.00 0.00 H new ATOM 0 HA LEU A 38 102.820 2.589 -11.637 1.00 0.00 H new ATOM 0 HB2 LEU A 38 101.888 4.127 -9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.720 5.035 -10.490 1.00 0.00 H new ATOM 0 HG LEU A 38 101.083 4.328 -12.160 1.00 0.00 H new ATOM 0 HD11 LEU A 38 99.051 3.097 -11.516 1.00 0.00 H new ATOM 0 HD12 LEU A 38 100.522 2.121 -11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 38 99.721 2.857 -9.885 1.00 0.00 H new ATOM 0 HD21 LEU A 38 99.116 5.534 -11.255 1.00 0.00 H new ATOM 0 HD22 LEU A 38 99.804 5.408 -9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 38 100.639 6.366 -10.865 1.00 0.00 H new ATOM 589 N HIS A 39 105.041 3.182 -9.299 1.00 0.00 N ATOM 590 CA HIS A 39 106.447 3.517 -9.088 1.00 0.00 C ATOM 591 C HIS A 39 107.354 2.350 -9.460 1.00 0.00 C ATOM 592 O HIS A 39 108.492 2.556 -9.874 1.00 0.00 O ATOM 593 CB HIS A 39 106.706 3.946 -7.639 1.00 0.00 C ATOM 594 CG HIS A 39 106.127 5.283 -7.281 1.00 0.00 C ATOM 595 ND1 HIS A 39 106.187 6.383 -8.114 1.00 0.00 N ATOM 596 CD2 HIS A 39 105.482 5.699 -6.164 1.00 0.00 C ATOM 597 CE1 HIS A 39 105.610 7.411 -7.523 1.00 0.00 C ATOM 598 NE2 HIS A 39 105.175 7.026 -6.341 1.00 0.00 N ATOM 0 H HIS A 39 104.547 2.871 -8.462 1.00 0.00 H new ATOM 0 HA HIS A 39 106.680 4.357 -9.742 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.292 3.192 -6.969 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.782 3.970 -7.466 1.00 0.00 H new ATOM 0 HD2 HIS A 39 105.252 5.099 -5.296 1.00 0.00 H new ATOM 0 HE1 HIS A 39 105.511 8.403 -7.939 1.00 0.00 H new ATOM 0 HE2 HIS A 39 104.689 7.617 -5.667 1.00 0.00 H new ATOM 607 N MET A 40 106.847 1.131 -9.329 1.00 0.00 N ATOM 608 CA MET A 40 107.622 -0.063 -9.655 1.00 0.00 C ATOM 609 C MET A 40 107.825 -0.188 -11.159 1.00 0.00 C ATOM 610 O MET A 40 108.866 -0.654 -11.615 1.00 0.00 O ATOM 611 CB MET A 40 106.940 -1.317 -9.105 1.00 0.00 C ATOM 612 CG MET A 40 106.945 -1.385 -7.586 1.00 0.00 C ATOM 613 SD MET A 40 106.014 -2.788 -6.942 1.00 0.00 S ATOM 614 CE MET A 40 106.965 -4.160 -7.591 1.00 0.00 C ATOM 0 H MET A 40 105.901 0.941 -8.999 1.00 0.00 H new ATOM 0 HA MET A 40 108.601 0.035 -9.185 1.00 0.00 H new ATOM 0 HB2 MET A 40 105.910 -1.348 -9.460 1.00 0.00 H new ATOM 0 HB3 MET A 40 107.441 -2.199 -9.503 1.00 0.00 H new ATOM 0 HG2 MET A 40 107.975 -1.447 -7.234 1.00 0.00 H new ATOM 0 HG3 MET A 40 106.525 -0.462 -7.185 1.00 0.00 H new ATOM 0 HE1 MET A 40 106.633 -5.087 -7.122 1.00 0.00 H new ATOM 0 HE2 MET A 40 106.819 -4.226 -8.669 1.00 0.00 H new ATOM 0 HE3 MET A 40 108.022 -4.003 -7.377 1.00 0.00 H new ATOM 624 N VAL A 41 106.832 0.238 -11.930 1.00 0.00 N ATOM 625 CA VAL A 41 106.954 0.248 -13.387 1.00 0.00 C ATOM 626 C VAL A 41 107.933 1.339 -13.822 1.00 0.00 C ATOM 627 O VAL A 41 108.533 1.271 -14.896 1.00 0.00 O ATOM 628 CB VAL A 41 105.585 0.466 -14.074 1.00 0.00 C ATOM 629 CG1 VAL A 41 105.718 0.435 -15.590 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.580 -0.580 -13.612 1.00 0.00 C ATOM 0 H VAL A 41 105.938 0.579 -11.576 1.00 0.00 H new ATOM 0 HA VAL A 41 107.331 -0.727 -13.695 1.00 0.00 H new ATOM 0 HB VAL A 41 105.222 1.452 -13.785 1.00 0.00 H new ATOM 0 HG11 VAL A 41 104.740 0.591 -16.044 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.398 1.224 -15.912 1.00 0.00 H new ATOM 0 HG13 VAL A 41 106.112 -0.532 -15.901 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.624 -0.409 -14.107 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.947 -1.574 -13.866 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.448 -0.506 -12.532 1.00 0.00 H new ATOM 640 N ALA A 42 108.110 2.335 -12.961 1.00 0.00 N ATOM 641 CA ALA A 42 109.006 3.447 -13.244 1.00 0.00 C ATOM 642 C ALA A 42 110.414 3.160 -12.732 1.00 0.00 C ATOM 643 O ALA A 42 111.294 4.022 -12.784 1.00 0.00 O ATOM 644 CB ALA A 42 108.464 4.723 -12.626 1.00 0.00 C ATOM 0 H ALA A 42 107.641 2.394 -12.057 1.00 0.00 H new ATOM 0 HA ALA A 42 109.063 3.575 -14.325 1.00 0.00 H new ATOM 0 HB1 ALA A 42 109.141 5.549 -12.843 1.00 0.00 H new ATOM 0 HB2 ALA A 42 107.481 4.941 -13.044 1.00 0.00 H new ATOM 0 HB3 ALA A 42 108.380 4.597 -11.547 1.00 0.00 H new ATOM 650 N MET A 43 110.613 1.951 -12.230 1.00 0.00 N ATOM 651 CA MET A 43 111.923 1.523 -11.759 1.00 0.00 C ATOM 652 C MET A 43 112.797 1.063 -12.920 1.00 0.00 C ATOM 653 O MET A 43 112.331 0.932 -14.058 1.00 0.00 O ATOM 654 CB MET A 43 111.794 0.396 -10.730 1.00 0.00 C ATOM 655 CG MET A 43 111.205 0.843 -9.403 1.00 0.00 C ATOM 656 SD MET A 43 111.041 -0.510 -8.222 1.00 0.00 S ATOM 657 CE MET A 43 110.445 0.376 -6.786 1.00 0.00 C ATOM 0 H MET A 43 109.882 1.246 -12.138 1.00 0.00 H new ATOM 0 HA MET A 43 112.396 2.381 -11.282 1.00 0.00 H new ATOM 0 HB2 MET A 43 111.169 -0.394 -11.147 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.779 -0.036 -10.553 1.00 0.00 H new ATOM 0 HG2 MET A 43 111.837 1.620 -8.973 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.226 1.289 -9.577 1.00 0.00 H new ATOM 0 HE1 MET A 43 109.917 -0.313 -6.127 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.289 0.814 -6.253 1.00 0.00 H new ATOM 0 HE3 MET A 43 109.766 1.167 -7.103 1.00 0.00 H new ATOM 667 N ARG A 44 114.063 0.815 -12.623 1.00 0.00 N ATOM 668 CA ARG A 44 115.028 0.409 -13.627 1.00 0.00 C ATOM 669 C ARG A 44 116.059 -0.531 -13.025 1.00 0.00 C ATOM 670 O ARG A 44 116.308 -0.500 -11.820 1.00 0.00 O ATOM 671 CB ARG A 44 115.724 1.645 -14.197 1.00 0.00 C ATOM 672 CG ARG A 44 115.401 1.906 -15.653 1.00 0.00 C ATOM 673 CD ARG A 44 115.388 3.392 -15.959 1.00 0.00 C ATOM 674 NE ARG A 44 114.305 4.078 -15.258 1.00 0.00 N ATOM 675 CZ ARG A 44 113.223 4.576 -15.859 1.00 0.00 C ATOM 676 NH1 ARG A 44 113.066 4.445 -17.172 1.00 0.00 N ATOM 677 NH2 ARG A 44 112.288 5.184 -15.143 1.00 0.00 N ATOM 0 H ARG A 44 114.448 0.890 -11.681 1.00 0.00 H new ATOM 0 HA ARG A 44 114.505 -0.116 -14.426 1.00 0.00 H new ATOM 0 HB2 ARG A 44 115.438 2.517 -13.608 1.00 0.00 H new ATOM 0 HB3 ARG A 44 116.802 1.527 -14.088 1.00 0.00 H new ATOM 0 HG2 ARG A 44 116.137 1.409 -16.285 1.00 0.00 H new ATOM 0 HG3 ARG A 44 114.430 1.475 -15.895 1.00 0.00 H new ATOM 0 HD2 ARG A 44 116.343 3.831 -15.672 1.00 0.00 H new ATOM 0 HD3 ARG A 44 115.279 3.542 -17.033 1.00 0.00 H new ATOM 0 HE ARG A 44 114.381 4.183 -14.246 1.00 0.00 H new ATOM 0 HH11 ARG A 44 113.774 3.962 -17.725 1.00 0.00 H new ATOM 0 HH12 ARG A 44 112.237 4.827 -17.627 1.00 0.00 H new ATOM 0 HH21 ARG A 44 112.396 5.271 -14.132 1.00 0.00 H new ATOM 0 HH22 ARG A 44 111.461 5.565 -15.603 1.00 0.00 H new ATOM 691 N ARG A 45 116.653 -1.365 -13.861 1.00 0.00 N ATOM 692 CA ARG A 45 117.714 -2.256 -13.422 1.00 0.00 C ATOM 693 C ARG A 45 118.970 -1.440 -13.133 1.00 0.00 C ATOM 694 O ARG A 45 119.566 -0.859 -14.041 1.00 0.00 O ATOM 695 CB ARG A 45 117.974 -3.326 -14.487 1.00 0.00 C ATOM 696 CG ARG A 45 119.204 -4.181 -14.233 1.00 0.00 C ATOM 697 CD ARG A 45 119.329 -5.280 -15.276 1.00 0.00 C ATOM 698 NE ARG A 45 118.612 -6.494 -14.893 1.00 0.00 N ATOM 699 CZ ARG A 45 117.819 -7.189 -15.709 1.00 0.00 C ATOM 700 NH1 ARG A 45 117.576 -6.767 -16.941 1.00 0.00 N ATOM 701 NH2 ARG A 45 117.261 -8.313 -15.280 1.00 0.00 N ATOM 0 H ARG A 45 116.418 -1.444 -14.850 1.00 0.00 H new ATOM 0 HA ARG A 45 117.416 -2.766 -12.506 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.102 -3.976 -14.551 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.080 -2.838 -15.456 1.00 0.00 H new ATOM 0 HG2 ARG A 45 120.096 -3.555 -14.250 1.00 0.00 H new ATOM 0 HG3 ARG A 45 119.145 -4.624 -13.239 1.00 0.00 H new ATOM 0 HD2 ARG A 45 118.943 -4.918 -16.229 1.00 0.00 H new ATOM 0 HD3 ARG A 45 120.382 -5.516 -15.427 1.00 0.00 H new ATOM 0 HE ARG A 45 118.726 -6.832 -13.938 1.00 0.00 H new ATOM 0 HH11 ARG A 45 117.998 -5.901 -17.276 1.00 0.00 H new ATOM 0 HH12 ARG A 45 116.967 -7.308 -17.555 1.00 0.00 H new ATOM 0 HH21 ARG A 45 117.439 -8.641 -14.331 1.00 0.00 H new ATOM 0 HH22 ARG A 45 116.653 -8.849 -15.899 1.00 0.00 H new ATOM 715 N GLY A 46 119.358 -1.387 -11.866 1.00 0.00 N ATOM 716 CA GLY A 46 120.424 -0.499 -11.456 1.00 0.00 C ATOM 717 C GLY A 46 119.925 0.548 -10.478 1.00 0.00 C ATOM 718 O GLY A 46 120.715 1.270 -9.870 1.00 0.00 O ATOM 0 H GLY A 46 118.952 -1.945 -11.115 1.00 0.00 H new ATOM 0 HA2 GLY A 46 121.225 -1.077 -10.995 1.00 0.00 H new ATOM 0 HA3 GLY A 46 120.848 -0.008 -12.332 1.00 0.00 H new ATOM 722 N ASP A 47 118.603 0.644 -10.350 1.00 0.00 N ATOM 723 CA ASP A 47 117.992 1.512 -9.347 1.00 0.00 C ATOM 724 C ASP A 47 118.217 0.921 -7.972 1.00 0.00 C ATOM 725 O ASP A 47 118.376 -0.289 -7.835 1.00 0.00 O ATOM 726 CB ASP A 47 116.486 1.674 -9.585 1.00 0.00 C ATOM 727 CG ASP A 47 116.151 2.630 -10.710 1.00 0.00 C ATOM 728 OD1 ASP A 47 117.062 3.000 -11.480 1.00 0.00 O ATOM 729 OD2 ASP A 47 114.972 3.028 -10.821 1.00 0.00 O ATOM 0 H ASP A 47 117.936 0.132 -10.927 1.00 0.00 H new ATOM 0 HA ASP A 47 118.456 2.495 -9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 47 116.055 0.698 -9.808 1.00 0.00 H new ATOM 0 HB3 ASP A 47 116.017 2.028 -8.667 1.00 0.00 H new ATOM 734 N ARG A 48 118.234 1.756 -6.952 1.00 0.00 N ATOM 735 CA ARG A 48 118.466 1.267 -5.606 1.00 0.00 C ATOM 736 C ARG A 48 117.483 1.870 -4.622 1.00 0.00 C ATOM 737 O ARG A 48 117.193 3.064 -4.659 1.00 0.00 O ATOM 738 CB ARG A 48 119.911 1.530 -5.183 1.00 0.00 C ATOM 739 CG ARG A 48 120.902 0.687 -5.966 1.00 0.00 C ATOM 740 CD ARG A 48 122.318 0.806 -5.439 1.00 0.00 C ATOM 741 NE ARG A 48 123.182 -0.197 -6.060 1.00 0.00 N ATOM 742 CZ ARG A 48 124.047 -0.961 -5.400 1.00 0.00 C ATOM 743 NH1 ARG A 48 124.233 -0.797 -4.097 1.00 0.00 N ATOM 744 NH2 ARG A 48 124.719 -1.900 -6.051 1.00 0.00 N ATOM 0 H ARG A 48 118.092 2.763 -7.026 1.00 0.00 H new ATOM 0 HA ARG A 48 118.303 0.189 -5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 48 120.143 2.586 -5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 48 120.020 1.320 -4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 48 120.592 -0.357 -5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 48 120.882 0.989 -7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 48 122.705 1.804 -5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.321 0.677 -4.357 1.00 0.00 H new ATOM 0 HE ARG A 48 123.116 -0.319 -7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 48 123.710 -0.080 -3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 48 124.899 -1.388 -3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 48 124.571 -2.032 -7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 48 125.384 -2.490 -5.551 1.00 0.00 H new ATOM 758 N ALA A 49 116.961 1.022 -3.755 1.00 0.00 N ATOM 759 CA ALA A 49 115.979 1.429 -2.774 1.00 0.00 C ATOM 760 C ALA A 49 116.474 1.148 -1.364 1.00 0.00 C ATOM 761 O ALA A 49 117.342 0.297 -1.160 1.00 0.00 O ATOM 762 CB ALA A 49 114.664 0.705 -3.025 1.00 0.00 C ATOM 0 H ALA A 49 117.207 0.033 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 49 115.819 2.503 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 49 113.930 1.017 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.298 0.950 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 49 114.821 -0.371 -2.951 1.00 0.00 H new ATOM 768 N PHE A 50 115.921 1.861 -0.396 1.00 0.00 N ATOM 769 CA PHE A 50 116.246 1.626 0.999 1.00 0.00 C ATOM 770 C PHE A 50 115.306 0.592 1.586 1.00 0.00 C ATOM 771 O PHE A 50 114.085 0.696 1.442 1.00 0.00 O ATOM 772 CB PHE A 50 116.152 2.914 1.821 1.00 0.00 C ATOM 773 CG PHE A 50 117.349 3.819 1.711 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.636 3.310 1.816 1.00 0.00 C ATOM 775 CD2 PHE A 50 117.186 5.182 1.531 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.733 4.146 1.743 1.00 0.00 C ATOM 777 CE2 PHE A 50 118.280 6.022 1.454 1.00 0.00 C ATOM 778 CZ PHE A 50 119.556 5.504 1.560 1.00 0.00 C ATOM 0 H PHE A 50 115.244 2.608 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 50 117.273 1.262 1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.266 3.466 1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 50 116.008 2.650 2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.781 2.249 1.956 1.00 0.00 H new ATOM 0 HD2 PHE A 50 116.191 5.594 1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.729 3.738 1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 50 118.138 7.083 1.311 1.00 0.00 H new ATOM 0 HZ PHE A 50 120.413 6.159 1.500 1.00 0.00 H new ATOM 788 N TYR A 51 115.879 -0.415 2.225 1.00 0.00 N ATOM 789 CA TYR A 51 115.101 -1.441 2.891 1.00 0.00 C ATOM 790 C TYR A 51 114.727 -0.966 4.290 1.00 0.00 C ATOM 791 O TYR A 51 115.558 -0.960 5.202 1.00 0.00 O ATOM 792 CB TYR A 51 115.897 -2.747 2.957 1.00 0.00 C ATOM 793 CG TYR A 51 115.113 -3.923 3.497 1.00 0.00 C ATOM 794 CD1 TYR A 51 114.977 -4.123 4.864 1.00 0.00 C ATOM 795 CD2 TYR A 51 114.514 -4.835 2.638 1.00 0.00 C ATOM 796 CE1 TYR A 51 114.268 -5.193 5.359 1.00 0.00 C ATOM 797 CE2 TYR A 51 113.801 -5.912 3.129 1.00 0.00 C ATOM 798 CZ TYR A 51 113.682 -6.085 4.493 1.00 0.00 C ATOM 799 OH TYR A 51 112.974 -7.150 4.999 1.00 0.00 O ATOM 0 H TYR A 51 116.889 -0.542 2.295 1.00 0.00 H new ATOM 0 HA TYR A 51 114.188 -1.628 2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.256 -2.992 1.957 1.00 0.00 H new ATOM 0 HB3 TYR A 51 116.776 -2.593 3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 51 115.436 -3.427 5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 51 114.607 -4.701 1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 51 114.172 -5.332 6.426 1.00 0.00 H new ATOM 0 HE2 TYR A 51 113.340 -6.614 2.450 1.00 0.00 H new ATOM 0 HH TYR A 51 112.813 -7.011 5.956 1.00 0.00 H new ATOM 809 N TYR A 52 113.480 -0.552 4.442 1.00 0.00 N ATOM 810 CA TYR A 52 112.998 0.002 5.697 1.00 0.00 C ATOM 811 C TYR A 52 111.927 -0.895 6.310 1.00 0.00 C ATOM 812 O TYR A 52 110.952 -1.256 5.646 1.00 0.00 O ATOM 813 CB TYR A 52 112.449 1.410 5.437 1.00 0.00 C ATOM 814 CG TYR A 52 111.738 2.061 6.607 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.447 2.741 7.588 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.354 2.013 6.714 1.00 0.00 C ATOM 817 CE1 TYR A 52 111.797 3.350 8.645 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.697 2.622 7.766 1.00 0.00 C ATOM 819 CZ TYR A 52 110.422 3.288 8.728 1.00 0.00 C ATOM 820 OH TYR A 52 109.770 3.899 9.777 1.00 0.00 O ATOM 0 H TYR A 52 112.777 -0.590 3.704 1.00 0.00 H new ATOM 0 HA TYR A 52 113.821 0.059 6.410 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.275 2.053 5.134 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.758 1.362 4.596 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.524 2.795 7.524 1.00 0.00 H new ATOM 0 HD2 TYR A 52 109.781 1.491 5.962 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.363 3.872 9.402 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.620 2.576 7.833 1.00 0.00 H new ATOM 0 HH TYR A 52 108.804 3.762 9.686 1.00 0.00 H new ATOM 830 N HIS A 53 112.116 -1.264 7.570 1.00 0.00 N ATOM 831 CA HIS A 53 111.115 -2.037 8.290 1.00 0.00 C ATOM 832 C HIS A 53 110.085 -1.109 8.904 1.00 0.00 C ATOM 833 O HIS A 53 110.426 -0.058 9.433 1.00 0.00 O ATOM 834 CB HIS A 53 111.742 -2.901 9.385 1.00 0.00 C ATOM 835 CG HIS A 53 112.335 -4.180 8.885 1.00 0.00 C ATOM 836 ND1 HIS A 53 113.541 -4.672 9.325 1.00 0.00 N ATOM 837 CD2 HIS A 53 111.858 -5.090 8.004 1.00 0.00 C ATOM 838 CE1 HIS A 53 113.784 -5.829 8.740 1.00 0.00 C ATOM 839 NE2 HIS A 53 112.776 -6.109 7.931 1.00 0.00 N ATOM 0 H HIS A 53 112.951 -1.041 8.112 1.00 0.00 H new ATOM 0 HA HIS A 53 110.635 -2.701 7.571 1.00 0.00 H new ATOM 0 HB2 HIS A 53 112.518 -2.325 9.888 1.00 0.00 H new ATOM 0 HB3 HIS A 53 110.982 -3.132 10.131 1.00 0.00 H new ATOM 0 HD1 HIS A 53 114.153 -4.213 10.000 1.00 0.00 H new ATOM 0 HD2 HIS A 53 110.928 -5.027 7.459 1.00 0.00 H new ATOM 0 HE1 HIS A 53 114.658 -6.444 8.895 1.00 0.00 H new ATOM 848 N SER A 54 108.828 -1.488 8.817 1.00 0.00 N ATOM 849 CA SER A 54 107.764 -0.680 9.370 1.00 0.00 C ATOM 850 C SER A 54 107.146 -1.365 10.583 1.00 0.00 C ATOM 851 O SER A 54 107.258 -2.586 10.731 1.00 0.00 O ATOM 852 CB SER A 54 106.708 -0.417 8.300 1.00 0.00 C ATOM 853 OG SER A 54 107.309 0.117 7.133 1.00 0.00 O ATOM 0 H SER A 54 108.519 -2.350 8.369 1.00 0.00 H new ATOM 0 HA SER A 54 108.177 0.274 9.698 1.00 0.00 H new ATOM 0 HB2 SER A 54 106.188 -1.344 8.057 1.00 0.00 H new ATOM 0 HB3 SER A 54 105.960 0.278 8.682 1.00 0.00 H new ATOM 0 HG SER A 54 108.003 0.760 7.388 1.00 0.00 H new ATOM 859 N ASN A 55 106.504 -0.568 11.441 1.00 0.00 N ATOM 860 CA ASN A 55 105.898 -1.054 12.685 1.00 0.00 C ATOM 861 C ASN A 55 106.966 -1.490 13.682 1.00 0.00 C ATOM 862 O ASN A 55 107.270 -0.757 14.625 1.00 0.00 O ATOM 863 CB ASN A 55 104.894 -2.185 12.419 1.00 0.00 C ATOM 864 CG ASN A 55 103.565 -1.658 11.915 1.00 0.00 C ATOM 865 OD1 ASN A 55 103.133 -0.569 12.291 1.00 0.00 O ATOM 866 ND2 ASN A 55 102.915 -2.410 11.047 1.00 0.00 N ATOM 0 H ASN A 55 106.389 0.435 11.293 1.00 0.00 H new ATOM 0 HA ASN A 55 105.346 -0.224 13.126 1.00 0.00 H new ATOM 0 HB2 ASN A 55 105.312 -2.875 11.686 1.00 0.00 H new ATOM 0 HB3 ASN A 55 104.735 -2.752 13.336 1.00 0.00 H new ATOM 0 HD21 ASN A 55 102.024 -2.094 10.665 1.00 0.00 H new ATOM 0 HD22 ASN A 55 103.304 -3.308 10.758 1.00 0.00 H new ATOM 873 N GLU A 56 107.550 -2.658 13.468 1.00 0.00 N ATOM 874 CA GLU A 56 108.630 -3.126 14.322 1.00 0.00 C ATOM 875 C GLU A 56 109.974 -2.785 13.697 1.00 0.00 C ATOM 876 O GLU A 56 110.219 -3.085 12.528 1.00 0.00 O ATOM 877 CB GLU A 56 108.534 -4.632 14.573 1.00 0.00 C ATOM 878 CG GLU A 56 107.303 -5.039 15.360 1.00 0.00 C ATOM 879 CD GLU A 56 107.445 -6.417 15.964 1.00 0.00 C ATOM 880 OE1 GLU A 56 108.076 -6.532 17.038 1.00 0.00 O ATOM 881 OE2 GLU A 56 106.944 -7.390 15.369 1.00 0.00 O ATOM 0 H GLU A 56 107.296 -3.297 12.714 1.00 0.00 H new ATOM 0 HA GLU A 56 108.540 -2.621 15.284 1.00 0.00 H new ATOM 0 HB2 GLU A 56 108.531 -5.152 13.615 1.00 0.00 H new ATOM 0 HB3 GLU A 56 109.424 -4.960 15.111 1.00 0.00 H new ATOM 0 HG2 GLU A 56 107.124 -4.313 16.153 1.00 0.00 H new ATOM 0 HG3 GLU A 56 106.432 -5.018 14.706 1.00 0.00 H new ATOM 888 N GLY A 57 110.825 -2.139 14.474 1.00 0.00 N ATOM 889 CA GLY A 57 112.128 -1.748 13.989 1.00 0.00 C ATOM 890 C GLY A 57 112.142 -0.307 13.534 1.00 0.00 C ATOM 891 O GLY A 57 112.813 0.535 14.139 1.00 0.00 O ATOM 0 H GLY A 57 110.634 -1.876 15.441 1.00 0.00 H new ATOM 0 HA2 GLY A 57 112.868 -1.889 14.777 1.00 0.00 H new ATOM 0 HA3 GLY A 57 112.418 -2.395 13.161 1.00 0.00 H new ATOM 895 N LYS A 58 111.366 -0.025 12.487 1.00 0.00 N ATOM 896 CA LYS A 58 111.302 1.308 11.886 1.00 0.00 C ATOM 897 C LYS A 58 112.692 1.752 11.452 1.00 0.00 C ATOM 898 O LYS A 58 113.059 2.916 11.608 1.00 0.00 O ATOM 899 CB LYS A 58 110.717 2.332 12.868 1.00 0.00 C ATOM 900 CG LYS A 58 109.349 1.964 13.419 1.00 0.00 C ATOM 901 CD LYS A 58 108.793 3.090 14.279 1.00 0.00 C ATOM 902 CE LYS A 58 107.544 2.665 15.030 1.00 0.00 C ATOM 903 NZ LYS A 58 107.819 1.539 15.959 1.00 0.00 N ATOM 0 H LYS A 58 110.765 -0.712 12.032 1.00 0.00 H new ATOM 0 HA LYS A 58 110.648 1.253 11.016 1.00 0.00 H new ATOM 0 HB2 LYS A 58 111.409 2.455 13.701 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.646 3.298 12.367 1.00 0.00 H new ATOM 0 HG2 LYS A 58 108.664 1.756 12.597 1.00 0.00 H new ATOM 0 HG3 LYS A 58 109.423 1.051 14.010 1.00 0.00 H new ATOM 0 HD2 LYS A 58 109.553 3.412 14.991 1.00 0.00 H new ATOM 0 HD3 LYS A 58 108.563 3.949 13.648 1.00 0.00 H new ATOM 0 HE2 LYS A 58 107.151 3.512 15.591 1.00 0.00 H new ATOM 0 HE3 LYS A 58 106.774 2.369 14.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 107.396 1.743 16.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 107.407 0.664 15.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 108.847 1.420 16.065 1.00 0.00 H new ATOM 917 N GLU A 59 113.458 0.824 10.903 1.00 0.00 N ATOM 918 CA GLU A 59 114.848 1.087 10.587 1.00 0.00 C ATOM 919 C GLU A 59 115.171 0.798 9.124 1.00 0.00 C ATOM 920 O GLU A 59 114.564 -0.073 8.491 1.00 0.00 O ATOM 921 CB GLU A 59 115.766 0.262 11.508 1.00 0.00 C ATOM 922 CG GLU A 59 116.096 -1.146 11.011 1.00 0.00 C ATOM 923 CD GLU A 59 114.940 -2.136 11.064 1.00 0.00 C ATOM 924 OE1 GLU A 59 113.788 -1.722 11.274 1.00 0.00 O ATOM 925 OE2 GLU A 59 115.188 -3.348 10.879 1.00 0.00 O ATOM 0 H GLU A 59 113.140 -0.116 10.668 1.00 0.00 H new ATOM 0 HA GLU A 59 115.025 2.149 10.754 1.00 0.00 H new ATOM 0 HB2 GLU A 59 116.699 0.808 11.647 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.294 0.182 12.487 1.00 0.00 H new ATOM 0 HG2 GLU A 59 116.449 -1.078 9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.920 -1.541 11.605 1.00 0.00 H new ATOM 932 N ILE A 60 116.114 1.563 8.592 1.00 0.00 N ATOM 933 CA ILE A 60 116.678 1.305 7.277 1.00 0.00 C ATOM 934 C ILE A 60 117.993 0.552 7.439 1.00 0.00 C ATOM 935 O ILE A 60 118.988 1.119 7.895 1.00 0.00 O ATOM 936 CB ILE A 60 116.932 2.614 6.498 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.632 3.405 6.344 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.537 2.312 5.135 1.00 0.00 C ATOM 939 CD1 ILE A 60 115.809 4.752 5.674 1.00 0.00 C ATOM 0 H ILE A 60 116.508 2.379 9.060 1.00 0.00 H new ATOM 0 HA ILE A 60 115.962 0.710 6.710 1.00 0.00 H new ATOM 0 HB ILE A 60 117.640 3.221 7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 60 114.924 2.812 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.191 3.555 7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.710 3.245 4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.484 1.788 5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 60 116.851 1.687 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 60 114.843 5.252 5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.491 5.365 6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.220 4.610 4.675 1.00 0.00 H new ATOM 951 N VAL A 61 117.991 -0.725 7.088 1.00 0.00 N ATOM 952 CA VAL A 61 119.154 -1.575 7.336 1.00 0.00 C ATOM 953 C VAL A 61 120.003 -1.808 6.094 1.00 0.00 C ATOM 954 O VAL A 61 121.221 -1.949 6.197 1.00 0.00 O ATOM 955 CB VAL A 61 118.758 -2.949 7.921 1.00 0.00 C ATOM 956 CG1 VAL A 61 118.453 -2.837 9.404 1.00 0.00 C ATOM 957 CG2 VAL A 61 117.567 -3.531 7.176 1.00 0.00 C ATOM 0 H VAL A 61 117.207 -1.195 6.635 1.00 0.00 H new ATOM 0 HA VAL A 61 119.747 -1.022 8.064 1.00 0.00 H new ATOM 0 HB VAL A 61 119.605 -3.624 7.795 1.00 0.00 H new ATOM 0 HG11 VAL A 61 118.177 -3.817 9.794 1.00 0.00 H new ATOM 0 HG12 VAL A 61 119.335 -2.473 9.930 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.628 -2.141 9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.306 -4.498 7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 61 116.717 -2.854 7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 61 117.823 -3.658 6.124 1.00 0.00 H new ATOM 967 N GLY A 62 119.388 -1.849 4.924 1.00 0.00 N ATOM 968 CA GLY A 62 120.140 -2.227 3.750 1.00 0.00 C ATOM 969 C GLY A 62 119.688 -1.543 2.485 1.00 0.00 C ATOM 970 O GLY A 62 118.600 -0.969 2.422 1.00 0.00 O ATOM 0 H GLY A 62 118.404 -1.633 4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.193 -2.000 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.064 -3.306 3.614 1.00 0.00 H new ATOM 974 N ILE A 63 120.546 -1.611 1.483 1.00 0.00 N ATOM 975 CA ILE A 63 120.265 -1.073 0.166 1.00 0.00 C ATOM 976 C ILE A 63 119.952 -2.209 -0.802 1.00 0.00 C ATOM 977 O ILE A 63 120.764 -3.121 -0.982 1.00 0.00 O ATOM 978 CB ILE A 63 121.476 -0.274 -0.363 1.00 0.00 C ATOM 979 CG1 ILE A 63 121.816 0.867 0.602 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.197 0.262 -1.762 1.00 0.00 C ATOM 981 CD1 ILE A 63 123.174 1.486 0.353 1.00 0.00 C ATOM 0 H ILE A 63 121.465 -2.045 1.562 1.00 0.00 H new ATOM 0 HA ILE A 63 119.405 -0.407 0.243 1.00 0.00 H new ATOM 0 HB ILE A 63 122.335 -0.941 -0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 63 121.053 1.641 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 63 121.779 0.490 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 63 122.062 0.822 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 63 121.001 -0.570 -2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.327 0.918 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.347 2.286 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 63 123.947 0.725 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 63 123.208 1.893 -0.657 1.00 0.00 H new ATOM 993 N ALA A 64 118.781 -2.157 -1.415 1.00 0.00 N ATOM 994 CA ALA A 64 118.375 -3.180 -2.366 1.00 0.00 C ATOM 995 C ALA A 64 118.433 -2.635 -3.789 1.00 0.00 C ATOM 996 O ALA A 64 117.869 -1.581 -4.076 1.00 0.00 O ATOM 997 CB ALA A 64 116.975 -3.682 -2.036 1.00 0.00 C ATOM 0 H ALA A 64 118.094 -1.417 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 64 119.066 -4.020 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.684 -4.447 -2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 64 116.968 -4.107 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.270 -2.852 -2.084 1.00 0.00 H new ATOM 1003 N GLU A 65 119.131 -3.338 -4.670 1.00 0.00 N ATOM 1004 CA GLU A 65 119.246 -2.907 -6.060 1.00 0.00 C ATOM 1005 C GLU A 65 118.252 -3.665 -6.927 1.00 0.00 C ATOM 1006 O GLU A 65 118.072 -4.875 -6.769 1.00 0.00 O ATOM 1007 CB GLU A 65 120.673 -3.119 -6.582 1.00 0.00 C ATOM 1008 CG GLU A 65 120.917 -2.561 -7.977 1.00 0.00 C ATOM 1009 CD GLU A 65 122.368 -2.685 -8.409 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.788 -3.798 -8.783 1.00 0.00 O ATOM 1011 OE2 GLU A 65 123.098 -1.670 -8.367 1.00 0.00 O ATOM 0 H GLU A 65 119.624 -4.204 -4.451 1.00 0.00 H new ATOM 0 HA GLU A 65 119.020 -1.842 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 65 121.374 -2.654 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.891 -4.187 -6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 65 120.283 -3.087 -8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.623 -1.512 -8.001 1.00 0.00 H new ATOM 1018 N ILE A 66 117.595 -2.940 -7.818 1.00 0.00 N ATOM 1019 CA ILE A 66 116.652 -3.530 -8.752 1.00 0.00 C ATOM 1020 C ILE A 66 117.421 -4.217 -9.875 1.00 0.00 C ATOM 1021 O ILE A 66 118.009 -3.553 -10.726 1.00 0.00 O ATOM 1022 CB ILE A 66 115.715 -2.462 -9.365 1.00 0.00 C ATOM 1023 CG1 ILE A 66 115.195 -1.492 -8.292 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.549 -3.128 -10.083 1.00 0.00 C ATOM 1025 CD1 ILE A 66 114.350 -2.145 -7.220 1.00 0.00 C ATOM 0 H ILE A 66 117.700 -1.930 -7.913 1.00 0.00 H new ATOM 0 HA ILE A 66 116.041 -4.249 -8.206 1.00 0.00 H new ATOM 0 HB ILE A 66 116.293 -1.886 -10.087 1.00 0.00 H new ATOM 0 HG12 ILE A 66 116.046 -1.002 -7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.607 -0.713 -8.777 1.00 0.00 H new ATOM 0 HG21 ILE A 66 113.899 -2.363 -10.509 1.00 0.00 H new ATOM 0 HG22 ILE A 66 114.929 -3.766 -10.881 1.00 0.00 H new ATOM 0 HG23 ILE A 66 113.983 -3.732 -9.374 1.00 0.00 H new ATOM 0 HD11 ILE A 66 114.024 -1.391 -6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.478 -2.611 -7.678 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.939 -2.904 -6.705 1.00 0.00 H new ATOM 1037 N ILE A 67 117.436 -5.539 -9.871 1.00 0.00 N ATOM 1038 CA ILE A 67 118.208 -6.291 -10.853 1.00 0.00 C ATOM 1039 C ILE A 67 117.305 -6.928 -11.906 1.00 0.00 C ATOM 1040 O ILE A 67 117.660 -7.939 -12.514 1.00 0.00 O ATOM 1041 CB ILE A 67 119.079 -7.377 -10.182 1.00 0.00 C ATOM 1042 CG1 ILE A 67 118.237 -8.246 -9.244 1.00 0.00 C ATOM 1043 CG2 ILE A 67 120.234 -6.730 -9.430 1.00 0.00 C ATOM 1044 CD1 ILE A 67 119.027 -9.328 -8.537 1.00 0.00 C ATOM 0 H ILE A 67 116.925 -6.115 -9.202 1.00 0.00 H new ATOM 0 HA ILE A 67 118.867 -5.577 -11.347 1.00 0.00 H new ATOM 0 HB ILE A 67 119.489 -8.023 -10.958 1.00 0.00 H new ATOM 0 HG12 ILE A 67 117.766 -7.607 -8.497 1.00 0.00 H new ATOM 0 HG13 ILE A 67 117.435 -8.711 -9.817 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.842 -7.504 -8.961 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.848 -6.159 -10.127 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.841 -6.063 -8.663 1.00 0.00 H new ATOM 0 HD11 ILE A 67 118.362 -9.901 -7.891 1.00 0.00 H new ATOM 0 HD12 ILE A 67 119.476 -9.992 -9.276 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.812 -8.871 -7.935 1.00 0.00 H new ATOM 1056 N ARG A 68 116.160 -6.300 -12.147 1.00 0.00 N ATOM 1057 CA ARG A 68 115.210 -6.767 -13.150 1.00 0.00 C ATOM 1058 C ARG A 68 114.093 -5.746 -13.315 1.00 0.00 C ATOM 1059 O ARG A 68 113.648 -5.156 -12.332 1.00 0.00 O ATOM 1060 CB ARG A 68 114.605 -8.116 -12.748 1.00 0.00 C ATOM 1061 CG ARG A 68 113.919 -8.842 -13.891 1.00 0.00 C ATOM 1062 CD ARG A 68 113.111 -10.032 -13.401 1.00 0.00 C ATOM 1063 NE ARG A 68 113.856 -10.865 -12.456 1.00 0.00 N ATOM 1064 CZ ARG A 68 114.085 -12.167 -12.623 1.00 0.00 C ATOM 1065 NH1 ARG A 68 113.721 -12.780 -13.743 1.00 0.00 N ATOM 1066 NH2 ARG A 68 114.695 -12.853 -11.666 1.00 0.00 N ATOM 0 H ARG A 68 115.865 -5.457 -11.655 1.00 0.00 H new ATOM 0 HA ARG A 68 115.744 -6.891 -14.092 1.00 0.00 H new ATOM 0 HB2 ARG A 68 115.393 -8.752 -12.346 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.884 -7.956 -11.946 1.00 0.00 H new ATOM 0 HG2 ARG A 68 113.263 -8.150 -14.419 1.00 0.00 H new ATOM 0 HG3 ARG A 68 114.667 -9.181 -14.607 1.00 0.00 H new ATOM 0 HD2 ARG A 68 112.198 -9.675 -12.924 1.00 0.00 H new ATOM 0 HD3 ARG A 68 112.809 -10.638 -14.255 1.00 0.00 H new ATOM 0 HE ARG A 68 114.224 -10.420 -11.615 1.00 0.00 H new ATOM 0 HH11 ARG A 68 113.261 -12.254 -14.486 1.00 0.00 H new ATOM 0 HH12 ARG A 68 113.901 -13.777 -13.860 1.00 0.00 H new ATOM 0 HH21 ARG A 68 114.986 -12.384 -10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 68 114.873 -13.850 -11.788 1.00 0.00 H new ATOM 1080 N GLU A 69 113.653 -5.532 -14.548 1.00 0.00 N ATOM 1081 CA GLU A 69 112.545 -4.622 -14.815 1.00 0.00 C ATOM 1082 C GLU A 69 111.241 -5.182 -14.255 1.00 0.00 C ATOM 1083 O GLU A 69 111.158 -6.365 -13.916 1.00 0.00 O ATOM 1084 CB GLU A 69 112.381 -4.370 -16.319 1.00 0.00 C ATOM 1085 CG GLU A 69 113.541 -3.628 -16.969 1.00 0.00 C ATOM 1086 CD GLU A 69 114.781 -4.480 -17.141 1.00 0.00 C ATOM 1087 OE1 GLU A 69 114.653 -5.720 -17.213 1.00 0.00 O ATOM 1088 OE2 GLU A 69 115.887 -3.906 -17.215 1.00 0.00 O ATOM 0 H GLU A 69 114.045 -5.975 -15.379 1.00 0.00 H new ATOM 0 HA GLU A 69 112.776 -3.677 -14.323 1.00 0.00 H new ATOM 0 HB2 GLU A 69 112.252 -5.328 -16.822 1.00 0.00 H new ATOM 0 HB3 GLU A 69 111.466 -3.800 -16.481 1.00 0.00 H new ATOM 0 HG2 GLU A 69 113.225 -3.259 -17.945 1.00 0.00 H new ATOM 0 HG3 GLU A 69 113.790 -2.756 -16.364 1.00 0.00 H new ATOM 1095 N ALA A 70 110.228 -4.331 -14.167 1.00 0.00 N ATOM 1096 CA ALA A 70 108.923 -4.742 -13.672 1.00 0.00 C ATOM 1097 C ALA A 70 108.229 -5.658 -14.674 1.00 0.00 C ATOM 1098 O ALA A 70 107.883 -5.236 -15.781 1.00 0.00 O ATOM 1099 CB ALA A 70 108.058 -3.524 -13.383 1.00 0.00 C ATOM 0 H ALA A 70 110.286 -3.348 -14.433 1.00 0.00 H new ATOM 0 HA ALA A 70 109.069 -5.296 -12.745 1.00 0.00 H new ATOM 0 HB1 ALA A 70 107.085 -3.848 -13.014 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.544 -2.903 -12.630 1.00 0.00 H new ATOM 0 HB3 ALA A 70 107.925 -2.947 -14.298 1.00 0.00 H new ATOM 1105 N TYR A 71 108.042 -6.909 -14.289 1.00 0.00 N ATOM 1106 CA TYR A 71 107.380 -7.882 -15.146 1.00 0.00 C ATOM 1107 C TYR A 71 106.126 -8.410 -14.452 1.00 0.00 C ATOM 1108 O TYR A 71 106.004 -8.290 -13.233 1.00 0.00 O ATOM 1109 CB TYR A 71 108.341 -9.032 -15.492 1.00 0.00 C ATOM 1110 CG TYR A 71 108.647 -9.963 -14.336 1.00 0.00 C ATOM 1111 CD1 TYR A 71 109.494 -9.575 -13.304 1.00 0.00 C ATOM 1112 CD2 TYR A 71 108.088 -11.234 -14.281 1.00 0.00 C ATOM 1113 CE1 TYR A 71 109.771 -10.428 -12.250 1.00 0.00 C ATOM 1114 CE2 TYR A 71 108.362 -12.090 -13.232 1.00 0.00 C ATOM 1115 CZ TYR A 71 109.203 -11.683 -12.220 1.00 0.00 C ATOM 1116 OH TYR A 71 109.473 -12.533 -11.173 1.00 0.00 O ATOM 0 H TYR A 71 108.340 -7.277 -13.386 1.00 0.00 H new ATOM 0 HA TYR A 71 107.086 -7.398 -16.077 1.00 0.00 H new ATOM 0 HB2 TYR A 71 107.912 -9.614 -16.308 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.276 -8.609 -15.859 1.00 0.00 H new ATOM 0 HD1 TYR A 71 109.943 -8.593 -13.325 1.00 0.00 H new ATOM 0 HD2 TYR A 71 107.428 -11.558 -15.072 1.00 0.00 H new ATOM 0 HE1 TYR A 71 110.429 -10.111 -11.455 1.00 0.00 H new ATOM 0 HE2 TYR A 71 107.919 -13.074 -13.205 1.00 0.00 H new ATOM 0 HH TYR A 71 108.993 -13.377 -11.305 1.00 0.00 H new ATOM 1126 N PRO A 72 105.174 -8.975 -15.220 1.00 0.00 N ATOM 1127 CA PRO A 72 103.920 -9.516 -14.676 1.00 0.00 C ATOM 1128 C PRO A 72 104.154 -10.472 -13.507 1.00 0.00 C ATOM 1129 O PRO A 72 104.831 -11.494 -13.651 1.00 0.00 O ATOM 1130 CB PRO A 72 103.294 -10.265 -15.863 1.00 0.00 C ATOM 1131 CG PRO A 72 104.358 -10.329 -16.909 1.00 0.00 C ATOM 1132 CD PRO A 72 105.234 -9.134 -16.679 1.00 0.00 C ATOM 0 HA PRO A 72 103.285 -8.726 -14.276 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.973 -11.265 -15.570 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.412 -9.743 -16.234 1.00 0.00 H new ATOM 0 HG2 PRO A 72 104.930 -11.254 -16.828 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.924 -10.309 -17.909 1.00 0.00 H new ATOM 0 HD2 PRO A 72 106.253 -9.304 -17.028 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.862 -8.251 -17.199 1.00 0.00 H new ATOM 1140 N ASP A 73 103.583 -10.126 -12.356 1.00 0.00 N ATOM 1141 CA ASP A 73 103.768 -10.895 -11.129 1.00 0.00 C ATOM 1142 C ASP A 73 103.249 -12.320 -11.308 1.00 0.00 C ATOM 1143 O ASP A 73 102.075 -12.522 -11.613 1.00 0.00 O ATOM 1144 CB ASP A 73 103.036 -10.212 -9.964 1.00 0.00 C ATOM 1145 CG ASP A 73 103.386 -10.795 -8.603 1.00 0.00 C ATOM 1146 OD1 ASP A 73 103.623 -12.014 -8.510 1.00 0.00 O ATOM 1147 OD2 ASP A 73 103.402 -10.035 -7.613 1.00 0.00 O ATOM 0 H ASP A 73 102.982 -9.309 -12.248 1.00 0.00 H new ATOM 0 HA ASP A 73 104.834 -10.938 -10.904 1.00 0.00 H new ATOM 0 HB2 ASP A 73 103.276 -9.149 -9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 73 101.961 -10.297 -10.121 1.00 0.00 H new ATOM 1152 N PRO A 74 104.122 -13.326 -11.128 1.00 0.00 N ATOM 1153 CA PRO A 74 103.750 -14.741 -11.265 1.00 0.00 C ATOM 1154 C PRO A 74 102.738 -15.192 -10.211 1.00 0.00 C ATOM 1155 O PRO A 74 102.167 -16.279 -10.310 1.00 0.00 O ATOM 1156 CB PRO A 74 105.077 -15.485 -11.085 1.00 0.00 C ATOM 1157 CG PRO A 74 105.956 -14.538 -10.346 1.00 0.00 C ATOM 1158 CD PRO A 74 105.547 -13.164 -10.790 1.00 0.00 C ATOM 0 HA PRO A 74 103.264 -14.935 -12.221 1.00 0.00 H new ATOM 0 HB2 PRO A 74 104.937 -16.411 -10.527 1.00 0.00 H new ATOM 0 HB3 PRO A 74 105.511 -15.756 -12.048 1.00 0.00 H new ATOM 0 HG2 PRO A 74 105.835 -14.652 -9.269 1.00 0.00 H new ATOM 0 HG3 PRO A 74 107.006 -14.724 -10.570 1.00 0.00 H new ATOM 0 HD2 PRO A 74 105.692 -12.427 -10.000 1.00 0.00 H new ATOM 0 HD3 PRO A 74 106.128 -12.829 -11.649 1.00 0.00 H new ATOM 1242 N PHE A 81 99.143 -6.861 -11.600 1.00 0.00 N ATOM 1243 CA PHE A 81 100.264 -6.335 -10.846 1.00 0.00 C ATOM 1244 C PHE A 81 101.581 -6.852 -11.405 1.00 0.00 C ATOM 1245 O PHE A 81 101.627 -7.892 -12.065 1.00 0.00 O ATOM 1246 CB PHE A 81 100.135 -6.694 -9.366 1.00 0.00 C ATOM 1247 CG PHE A 81 98.963 -6.037 -8.694 1.00 0.00 C ATOM 1248 CD1 PHE A 81 98.986 -4.681 -8.408 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.839 -6.771 -8.353 1.00 0.00 C ATOM 1250 CE1 PHE A 81 97.911 -4.069 -7.793 1.00 0.00 C ATOM 1251 CE2 PHE A 81 96.761 -6.165 -7.736 1.00 0.00 C ATOM 1252 CZ PHE A 81 96.796 -4.812 -7.456 1.00 0.00 C ATOM 0 HA PHE A 81 100.255 -5.249 -10.940 1.00 0.00 H new ATOM 0 HB2 PHE A 81 100.041 -7.776 -9.269 1.00 0.00 H new ATOM 0 HB3 PHE A 81 101.050 -6.406 -8.848 1.00 0.00 H new ATOM 0 HD1 PHE A 81 99.855 -4.096 -8.669 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.805 -7.828 -8.572 1.00 0.00 H new ATOM 0 HE1 PHE A 81 97.942 -3.011 -7.576 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.891 -6.749 -7.473 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.954 -4.337 -6.975 1.00 0.00 H new ATOM 1262 N VAL A 82 102.643 -6.109 -11.147 1.00 0.00 N ATOM 1263 CA VAL A 82 103.966 -6.461 -11.629 1.00 0.00 C ATOM 1264 C VAL A 82 104.952 -6.453 -10.473 1.00 0.00 C ATOM 1265 O VAL A 82 104.713 -5.798 -9.459 1.00 0.00 O ATOM 1266 CB VAL A 82 104.455 -5.490 -12.728 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.593 -5.615 -13.975 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.457 -4.054 -12.222 1.00 0.00 C ATOM 0 H VAL A 82 102.613 -5.249 -10.600 1.00 0.00 H new ATOM 0 HA VAL A 82 103.905 -7.459 -12.064 1.00 0.00 H new ATOM 0 HB VAL A 82 105.479 -5.760 -12.987 1.00 0.00 H new ATOM 0 HG11 VAL A 82 103.953 -4.924 -14.737 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.649 -6.635 -14.355 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.559 -5.376 -13.728 1.00 0.00 H new ATOM 0 HG21 VAL A 82 104.805 -3.390 -13.013 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.446 -3.770 -11.928 1.00 0.00 H new ATOM 0 HG23 VAL A 82 105.121 -3.972 -11.362 1.00 0.00 H new ATOM 1278 N CYS A 83 106.046 -7.174 -10.619 1.00 0.00 N ATOM 1279 CA CYS A 83 107.042 -7.243 -9.568 1.00 0.00 C ATOM 1280 C CYS A 83 108.438 -7.022 -10.130 1.00 0.00 C ATOM 1281 O CYS A 83 108.675 -7.201 -11.327 1.00 0.00 O ATOM 1282 CB CYS A 83 106.956 -8.590 -8.848 1.00 0.00 C ATOM 1283 SG CYS A 83 107.025 -10.026 -9.941 1.00 0.00 S ATOM 0 H CYS A 83 106.268 -7.719 -11.452 1.00 0.00 H new ATOM 0 HA CYS A 83 106.841 -6.450 -8.848 1.00 0.00 H new ATOM 0 HB2 CYS A 83 107.772 -8.657 -8.129 1.00 0.00 H new ATOM 0 HB3 CYS A 83 106.027 -8.626 -8.280 1.00 0.00 H new ATOM 0 HG CYS A 83 108.103 -9.969 -10.665 1.00 0.00 H new ATOM 1289 N VAL A 84 109.346 -6.603 -9.262 1.00 0.00 N ATOM 1290 CA VAL A 84 110.737 -6.403 -9.635 1.00 0.00 C ATOM 1291 C VAL A 84 111.629 -7.328 -8.820 1.00 0.00 C ATOM 1292 O VAL A 84 111.195 -7.869 -7.800 1.00 0.00 O ATOM 1293 CB VAL A 84 111.188 -4.939 -9.419 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.426 -3.997 -10.338 1.00 0.00 C ATOM 1295 CG2 VAL A 84 111.013 -4.524 -7.963 1.00 0.00 C ATOM 0 H VAL A 84 109.141 -6.393 -8.285 1.00 0.00 H new ATOM 0 HA VAL A 84 110.827 -6.632 -10.697 1.00 0.00 H new ATOM 0 HB VAL A 84 112.248 -4.875 -9.666 1.00 0.00 H new ATOM 0 HG11 VAL A 84 110.760 -2.973 -10.168 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.612 -4.272 -11.376 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.359 -4.070 -10.129 1.00 0.00 H new ATOM 0 HG21 VAL A 84 111.337 -3.491 -7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.963 -4.611 -7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.613 -5.173 -7.325 1.00 0.00 H new ATOM 1305 N ASP A 85 112.860 -7.513 -9.264 1.00 0.00 N ATOM 1306 CA ASP A 85 113.797 -8.374 -8.555 1.00 0.00 C ATOM 1307 C ASP A 85 114.769 -7.518 -7.756 1.00 0.00 C ATOM 1308 O ASP A 85 115.481 -6.686 -8.321 1.00 0.00 O ATOM 1309 CB ASP A 85 114.562 -9.259 -9.543 1.00 0.00 C ATOM 1310 CG ASP A 85 115.232 -10.451 -8.884 1.00 0.00 C ATOM 1311 OD1 ASP A 85 115.902 -10.275 -7.853 1.00 0.00 O ATOM 1312 OD2 ASP A 85 115.099 -11.574 -9.419 1.00 0.00 O ATOM 0 H ASP A 85 113.235 -7.081 -10.109 1.00 0.00 H new ATOM 0 HA ASP A 85 113.242 -9.019 -7.874 1.00 0.00 H new ATOM 0 HB2 ASP A 85 113.874 -9.615 -10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 85 115.319 -8.659 -10.048 1.00 0.00 H new ATOM 1317 N ILE A 86 114.779 -7.705 -6.447 1.00 0.00 N ATOM 1318 CA ILE A 86 115.621 -6.911 -5.567 1.00 0.00 C ATOM 1319 C ILE A 86 116.643 -7.787 -4.851 1.00 0.00 C ATOM 1320 O ILE A 86 116.343 -8.915 -4.451 1.00 0.00 O ATOM 1321 CB ILE A 86 114.788 -6.137 -4.517 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.963 -7.101 -3.655 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.882 -5.126 -5.205 1.00 0.00 C ATOM 1324 CD1 ILE A 86 113.232 -6.423 -2.516 1.00 0.00 C ATOM 0 H ILE A 86 114.211 -8.403 -5.968 1.00 0.00 H new ATOM 0 HA ILE A 86 116.141 -6.190 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 86 115.474 -5.601 -3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 86 113.237 -7.611 -4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.624 -7.866 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 86 113.302 -4.588 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 86 114.489 -4.419 -5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 86 113.206 -5.646 -5.883 1.00 0.00 H new ATOM 0 HD11 ILE A 86 112.670 -7.166 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 86 113.953 -5.936 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 86 112.545 -5.677 -2.917 1.00 0.00 H new ATOM 1336 N LYS A 87 117.850 -7.269 -4.701 1.00 0.00 N ATOM 1337 CA LYS A 87 118.905 -7.988 -4.006 1.00 0.00 C ATOM 1338 C LYS A 87 119.426 -7.179 -2.827 1.00 0.00 C ATOM 1339 O LYS A 87 119.570 -5.954 -2.920 1.00 0.00 O ATOM 1340 CB LYS A 87 120.067 -8.294 -4.954 1.00 0.00 C ATOM 1341 CG LYS A 87 120.661 -7.052 -5.601 1.00 0.00 C ATOM 1342 CD LYS A 87 122.131 -7.239 -5.938 1.00 0.00 C ATOM 1343 CE LYS A 87 122.701 -5.994 -6.595 1.00 0.00 C ATOM 1344 NZ LYS A 87 124.183 -6.037 -6.692 1.00 0.00 N ATOM 0 H LYS A 87 118.125 -6.351 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 87 118.480 -8.923 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.849 -8.816 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 87 119.721 -8.971 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 87 120.107 -6.815 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.548 -6.202 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.690 -7.464 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 87 122.249 -8.093 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 87 122.277 -5.886 -7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 87 122.402 -5.115 -6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 124.592 -5.295 -6.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 124.525 -6.967 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 124.471 -5.878 -7.679 1.00 0.00 H new ATOM 1358 N ALA A 88 119.686 -7.860 -1.716 1.00 0.00 N ATOM 1359 CA ALA A 88 120.367 -7.253 -0.586 1.00 0.00 C ATOM 1360 C ALA A 88 121.821 -6.991 -0.948 1.00 0.00 C ATOM 1361 O ALA A 88 122.679 -7.861 -0.798 1.00 0.00 O ATOM 1362 CB ALA A 88 120.273 -8.149 0.640 1.00 0.00 C ATOM 0 H ALA A 88 119.432 -8.838 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 88 119.884 -6.305 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 88 120.789 -7.677 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.225 -8.302 0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 88 120.737 -9.111 0.424 1.00 0.00 H new ATOM 1368 N ASP A 89 122.087 -5.798 -1.450 1.00 0.00 N ATOM 1369 CA ASP A 89 123.406 -5.478 -1.972 1.00 0.00 C ATOM 1370 C ASP A 89 124.339 -5.015 -0.867 1.00 0.00 C ATOM 1371 O ASP A 89 125.382 -5.626 -0.628 1.00 0.00 O ATOM 1372 CB ASP A 89 123.314 -4.403 -3.055 1.00 0.00 C ATOM 1373 CG ASP A 89 124.674 -4.048 -3.629 1.00 0.00 C ATOM 1374 OD1 ASP A 89 125.127 -4.743 -4.563 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.290 -3.068 -3.158 1.00 0.00 O ATOM 0 H ASP A 89 121.411 -5.037 -1.508 1.00 0.00 H new ATOM 0 HA ASP A 89 123.814 -6.389 -2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.663 -4.752 -3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 89 122.853 -3.508 -2.638 1.00 0.00 H new ATOM 1380 N LYS A 90 123.965 -3.946 -0.186 1.00 0.00 N ATOM 1381 CA LYS A 90 124.840 -3.352 0.807 1.00 0.00 C ATOM 1382 C LYS A 90 124.062 -2.931 2.044 1.00 0.00 C ATOM 1383 O LYS A 90 123.188 -2.070 1.970 1.00 0.00 O ATOM 1384 CB LYS A 90 125.549 -2.136 0.214 1.00 0.00 C ATOM 1385 CG LYS A 90 126.761 -1.684 1.014 1.00 0.00 C ATOM 1386 CD LYS A 90 127.395 -0.434 0.419 1.00 0.00 C ATOM 1387 CE LYS A 90 127.608 -0.568 -1.082 1.00 0.00 C ATOM 1388 NZ LYS A 90 128.442 -1.746 -1.436 1.00 0.00 N ATOM 0 H LYS A 90 123.068 -3.475 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 90 125.575 -4.102 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 90 125.863 -2.370 -0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 90 124.841 -1.310 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 90 126.464 -1.486 2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 90 127.498 -2.487 1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 90 126.758 0.427 0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 90 128.351 -0.244 0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 90 126.640 -0.650 -1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 90 128.084 0.337 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 129.059 -1.506 -2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 129.026 -2.016 -0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 127.826 -2.541 -1.699 1.00 0.00 H new ATOM 1402 N PRO A 91 124.347 -3.549 3.191 1.00 0.00 N ATOM 1403 CA PRO A 91 123.785 -3.133 4.468 1.00 0.00 C ATOM 1404 C PRO A 91 124.514 -1.915 5.022 1.00 0.00 C ATOM 1405 O PRO A 91 125.691 -1.695 4.722 1.00 0.00 O ATOM 1406 CB PRO A 91 123.995 -4.353 5.383 1.00 0.00 C ATOM 1407 CG PRO A 91 124.600 -5.418 4.521 1.00 0.00 C ATOM 1408 CD PRO A 91 125.220 -4.713 3.349 1.00 0.00 C ATOM 0 HA PRO A 91 122.738 -2.841 4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 91 124.652 -4.106 6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.050 -4.687 5.810 1.00 0.00 H new ATOM 0 HG2 PRO A 91 125.349 -5.986 5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 91 123.842 -6.128 4.191 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.252 -4.424 3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.230 -5.339 2.456 1.00 0.00 H new ATOM 1416 N LEU A 92 123.815 -1.123 5.816 1.00 0.00 N ATOM 1417 CA LEU A 92 124.397 0.073 6.400 1.00 0.00 C ATOM 1418 C LEU A 92 125.171 -0.265 7.665 1.00 0.00 C ATOM 1419 O LEU A 92 124.797 -1.169 8.412 1.00 0.00 O ATOM 1420 CB LEU A 92 123.309 1.104 6.708 1.00 0.00 C ATOM 1421 CG LEU A 92 122.672 1.761 5.480 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.585 2.738 5.901 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.730 2.472 4.646 1.00 0.00 C ATOM 0 H LEU A 92 122.841 -1.287 6.072 1.00 0.00 H new ATOM 0 HA LEU A 92 125.090 0.500 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.525 0.619 7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.737 1.884 7.338 1.00 0.00 H new ATOM 0 HG LEU A 92 122.218 0.980 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 92 121.144 3.195 5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.813 2.206 6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 92 122.018 3.514 6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 92 123.259 2.933 3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 92 124.212 3.242 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 92 124.477 1.751 4.314 1.00 0.00 H new ATOM 1435 N LYS A 93 126.257 0.465 7.891 1.00 0.00 N ATOM 1436 CA LYS A 93 127.084 0.270 9.075 1.00 0.00 C ATOM 1437 C LYS A 93 126.331 0.757 10.310 1.00 0.00 C ATOM 1438 O LYS A 93 126.545 0.278 11.424 1.00 0.00 O ATOM 1439 CB LYS A 93 128.420 1.010 8.895 1.00 0.00 C ATOM 1440 CG LYS A 93 129.498 0.662 9.919 1.00 0.00 C ATOM 1441 CD LYS A 93 129.420 1.532 11.169 1.00 0.00 C ATOM 1442 CE LYS A 93 129.604 3.010 10.847 1.00 0.00 C ATOM 1443 NZ LYS A 93 130.902 3.286 10.172 1.00 0.00 N ATOM 0 H LYS A 93 126.586 1.201 7.266 1.00 0.00 H new ATOM 0 HA LYS A 93 127.302 -0.789 9.211 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.805 0.795 7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 93 128.232 2.083 8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.400 -0.386 10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 93 130.480 0.777 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 93 128.455 1.384 11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 93 130.185 1.217 11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 93 128.787 3.344 10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 93 129.546 3.590 11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 131.339 4.132 10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 131.537 2.472 10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 130.738 3.448 9.158 1.00 0.00 H new ATOM 1457 N THR A 94 125.448 1.716 10.096 1.00 0.00 N ATOM 1458 CA THR A 94 124.566 2.198 11.139 1.00 0.00 C ATOM 1459 C THR A 94 123.138 2.303 10.603 1.00 0.00 C ATOM 1460 O THR A 94 122.816 3.231 9.861 1.00 0.00 O ATOM 1461 CB THR A 94 125.031 3.569 11.672 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.410 3.486 12.066 1.00 0.00 O ATOM 1463 CG2 THR A 94 124.186 4.008 12.861 1.00 0.00 C ATOM 0 H THR A 94 125.324 2.180 9.196 1.00 0.00 H new ATOM 0 HA THR A 94 124.593 1.487 11.965 1.00 0.00 H new ATOM 0 HB THR A 94 124.915 4.306 10.878 1.00 0.00 H new ATOM 0 HG1 THR A 94 126.707 4.357 12.403 1.00 0.00 H new ATOM 0 HG21 THR A 94 124.535 4.977 13.217 1.00 0.00 H new ATOM 0 HG22 THR A 94 123.143 4.088 12.556 1.00 0.00 H new ATOM 0 HG23 THR A 94 124.275 3.274 13.662 1.00 0.00 H new ATOM 1471 N PRO A 95 122.280 1.321 10.936 1.00 0.00 N ATOM 1472 CA PRO A 95 120.877 1.313 10.510 1.00 0.00 C ATOM 1473 C PRO A 95 120.145 2.581 10.927 1.00 0.00 C ATOM 1474 O PRO A 95 120.075 2.912 12.114 1.00 0.00 O ATOM 1475 CB PRO A 95 120.287 0.096 11.228 1.00 0.00 C ATOM 1476 CG PRO A 95 121.455 -0.783 11.510 1.00 0.00 C ATOM 1477 CD PRO A 95 122.617 0.140 11.747 1.00 0.00 C ATOM 0 HA PRO A 95 120.782 1.267 9.425 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.780 0.387 12.148 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.551 -0.412 10.605 1.00 0.00 H new ATOM 0 HG2 PRO A 95 121.270 -1.410 12.382 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.652 -1.452 10.672 1.00 0.00 H new ATOM 0 HD2 PRO A 95 122.722 0.393 12.802 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.559 -0.309 11.432 1.00 0.00 H new ATOM 1485 N VAL A 96 119.604 3.290 9.949 1.00 0.00 N ATOM 1486 CA VAL A 96 118.931 4.552 10.205 1.00 0.00 C ATOM 1487 C VAL A 96 117.487 4.312 10.625 1.00 0.00 C ATOM 1488 O VAL A 96 116.634 3.994 9.798 1.00 0.00 O ATOM 1489 CB VAL A 96 118.964 5.472 8.965 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.332 6.823 9.273 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.391 5.648 8.470 1.00 0.00 C ATOM 0 H VAL A 96 119.618 3.011 8.968 1.00 0.00 H new ATOM 0 HA VAL A 96 119.465 5.048 11.015 1.00 0.00 H new ATOM 0 HB VAL A 96 118.381 4.999 8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.368 7.453 8.384 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.294 6.679 9.574 1.00 0.00 H new ATOM 0 HG13 VAL A 96 118.881 7.306 10.081 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.395 6.299 7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 96 120.997 6.095 9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 96 120.805 4.676 8.201 1.00 0.00 H new ATOM 1501 N THR A 97 117.231 4.436 11.918 1.00 0.00 N ATOM 1502 CA THR A 97 115.892 4.262 12.453 1.00 0.00 C ATOM 1503 C THR A 97 115.058 5.516 12.238 1.00 0.00 C ATOM 1504 O THR A 97 115.596 6.575 11.912 1.00 0.00 O ATOM 1505 CB THR A 97 115.939 3.937 13.959 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.713 4.927 14.650 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.536 2.561 14.203 1.00 0.00 C ATOM 0 H THR A 97 117.938 4.658 12.619 1.00 0.00 H new ATOM 0 HA THR A 97 115.433 3.428 11.922 1.00 0.00 H new ATOM 0 HB THR A 97 114.917 3.942 14.338 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.737 4.715 15.606 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.557 2.358 15.274 1.00 0.00 H new ATOM 0 HG22 THR A 97 115.929 1.807 13.703 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.551 2.530 13.808 1.00 0.00 H new ATOM 1515 N LEU A 98 113.749 5.395 12.416 1.00 0.00 N ATOM 1516 CA LEU A 98 112.850 6.537 12.313 1.00 0.00 C ATOM 1517 C LEU A 98 113.259 7.624 13.301 1.00 0.00 C ATOM 1518 O LEU A 98 113.096 8.812 13.033 1.00 0.00 O ATOM 1519 CB LEU A 98 111.404 6.104 12.570 1.00 0.00 C ATOM 1520 CG LEU A 98 110.350 7.200 12.379 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.356 7.701 10.943 1.00 0.00 C ATOM 1522 CD2 LEU A 98 108.971 6.683 12.757 1.00 0.00 C ATOM 0 H LEU A 98 113.285 4.513 12.633 1.00 0.00 H new ATOM 0 HA LEU A 98 112.917 6.940 11.303 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.167 5.274 11.904 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.331 5.726 13.590 1.00 0.00 H new ATOM 0 HG LEU A 98 110.597 8.034 13.035 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.601 8.479 10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.338 8.109 10.704 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.133 6.874 10.268 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.234 7.474 12.615 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.716 5.832 12.125 1.00 0.00 H new ATOM 0 HD23 LEU A 98 108.973 6.372 13.802 1.00 0.00 H new ATOM 1534 N ALA A 99 113.808 7.206 14.439 1.00 0.00 N ATOM 1535 CA ALA A 99 114.307 8.141 15.437 1.00 0.00 C ATOM 1536 C ALA A 99 115.442 8.978 14.858 1.00 0.00 C ATOM 1537 O ALA A 99 115.525 10.182 15.101 1.00 0.00 O ATOM 1538 CB ALA A 99 114.771 7.394 16.680 1.00 0.00 C ATOM 0 H ALA A 99 113.917 6.224 14.691 1.00 0.00 H new ATOM 0 HA ALA A 99 113.496 8.811 15.723 1.00 0.00 H new ATOM 0 HB1 ALA A 99 115.141 8.107 17.416 1.00 0.00 H new ATOM 0 HB2 ALA A 99 113.935 6.837 17.103 1.00 0.00 H new ATOM 0 HB3 ALA A 99 115.570 6.702 16.412 1.00 0.00 H new ATOM 1544 N ALA A 100 116.300 8.335 14.074 1.00 0.00 N ATOM 1545 CA ALA A 100 117.400 9.023 13.417 1.00 0.00 C ATOM 1546 C ALA A 100 116.883 9.892 12.275 1.00 0.00 C ATOM 1547 O ALA A 100 117.387 10.988 12.043 1.00 0.00 O ATOM 1548 CB ALA A 100 118.426 8.022 12.906 1.00 0.00 C ATOM 0 H ALA A 100 116.253 7.335 13.879 1.00 0.00 H new ATOM 0 HA ALA A 100 117.886 9.670 14.147 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.242 8.555 12.417 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.819 7.445 13.743 1.00 0.00 H new ATOM 0 HB3 ALA A 100 117.953 7.349 12.191 1.00 0.00 H new ATOM 1554 N VAL A 101 115.865 9.404 11.573 1.00 0.00 N ATOM 1555 CA VAL A 101 115.239 10.164 10.492 1.00 0.00 C ATOM 1556 C VAL A 101 114.645 11.464 11.034 1.00 0.00 C ATOM 1557 O VAL A 101 114.670 12.500 10.373 1.00 0.00 O ATOM 1558 CB VAL A 101 114.134 9.342 9.786 1.00 0.00 C ATOM 1559 CG1 VAL A 101 113.490 10.140 8.662 1.00 0.00 C ATOM 1560 CG2 VAL A 101 114.703 8.038 9.247 1.00 0.00 C ATOM 0 H VAL A 101 115.454 8.484 11.732 1.00 0.00 H new ATOM 0 HA VAL A 101 116.013 10.394 9.760 1.00 0.00 H new ATOM 0 HB VAL A 101 113.365 9.112 10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 101 112.718 9.537 8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.043 11.047 9.069 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.248 10.409 7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 101 113.912 7.472 8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 101 115.495 8.255 8.530 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.110 7.451 10.070 1.00 0.00 H new ATOM 1570 N LYS A 102 114.135 11.404 12.254 1.00 0.00 N ATOM 1571 CA LYS A 102 113.548 12.568 12.900 1.00 0.00 C ATOM 1572 C LYS A 102 114.614 13.402 13.612 1.00 0.00 C ATOM 1573 O LYS A 102 114.321 14.467 14.154 1.00 0.00 O ATOM 1574 CB LYS A 102 112.471 12.127 13.891 1.00 0.00 C ATOM 1575 CG LYS A 102 111.307 11.393 13.237 1.00 0.00 C ATOM 1576 CD LYS A 102 110.384 10.765 14.273 1.00 0.00 C ATOM 1577 CE LYS A 102 109.749 11.811 15.175 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.862 11.193 16.197 1.00 0.00 N ATOM 0 H LYS A 102 114.116 10.556 12.820 1.00 0.00 H new ATOM 0 HA LYS A 102 113.093 13.192 12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 102 112.923 11.479 14.642 1.00 0.00 H new ATOM 0 HB3 LYS A 102 112.089 13.004 14.414 1.00 0.00 H new ATOM 0 HG2 LYS A 102 110.740 12.088 12.618 1.00 0.00 H new ATOM 0 HG3 LYS A 102 111.692 10.618 12.575 1.00 0.00 H new ATOM 0 HD2 LYS A 102 109.602 10.199 13.767 1.00 0.00 H new ATOM 0 HD3 LYS A 102 110.948 10.057 14.880 1.00 0.00 H new ATOM 0 HE2 LYS A 102 110.531 12.386 15.672 1.00 0.00 H new ATOM 0 HE3 LYS A 102 109.174 12.512 14.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 108.447 11.938 16.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 108.101 10.665 15.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 109.416 10.543 16.790 1.00 0.00 H new ATOM 1592 N ALA A 103 115.850 12.914 13.607 1.00 0.00 N ATOM 1593 CA ALA A 103 116.962 13.638 14.213 1.00 0.00 C ATOM 1594 C ALA A 103 117.478 14.708 13.259 1.00 0.00 C ATOM 1595 O ALA A 103 117.820 15.818 13.670 1.00 0.00 O ATOM 1596 CB ALA A 103 118.083 12.680 14.592 1.00 0.00 C ATOM 0 H ALA A 103 116.107 12.020 13.190 1.00 0.00 H new ATOM 0 HA ALA A 103 116.604 14.123 15.121 1.00 0.00 H new ATOM 0 HB1 ALA A 103 118.903 13.239 15.042 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.709 11.946 15.306 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.441 12.167 13.699 1.00 0.00 H new ATOM 1602 N GLU A 104 117.517 14.360 11.981 1.00 0.00 N ATOM 1603 CA GLU A 104 117.942 15.283 10.941 1.00 0.00 C ATOM 1604 C GLU A 104 116.716 15.880 10.254 1.00 0.00 C ATOM 1605 O GLU A 104 116.018 15.189 9.514 1.00 0.00 O ATOM 1606 CB GLU A 104 118.837 14.554 9.927 1.00 0.00 C ATOM 1607 CG GLU A 104 119.232 15.385 8.713 1.00 0.00 C ATOM 1608 CD GLU A 104 119.963 16.662 9.073 1.00 0.00 C ATOM 1609 OE1 GLU A 104 121.193 16.614 9.290 1.00 0.00 O ATOM 1610 OE2 GLU A 104 119.310 17.722 9.129 1.00 0.00 O ATOM 0 H GLU A 104 117.256 13.435 11.638 1.00 0.00 H new ATOM 0 HA GLU A 104 118.520 16.093 11.386 1.00 0.00 H new ATOM 0 HB2 GLU A 104 119.743 14.224 10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 104 118.319 13.658 9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 104 119.865 14.784 8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 104 118.336 15.635 8.145 1.00 0.00 H new ATOM 1617 N PRO A 105 116.432 17.171 10.507 1.00 0.00 N ATOM 1618 CA PRO A 105 115.259 17.859 9.954 1.00 0.00 C ATOM 1619 C PRO A 105 115.168 17.763 8.431 1.00 0.00 C ATOM 1620 O PRO A 105 114.078 17.852 7.864 1.00 0.00 O ATOM 1621 CB PRO A 105 115.440 19.320 10.390 1.00 0.00 C ATOM 1622 CG PRO A 105 116.847 19.425 10.874 1.00 0.00 C ATOM 1623 CD PRO A 105 117.222 18.059 11.370 1.00 0.00 C ATOM 0 HA PRO A 105 114.336 17.407 10.315 1.00 0.00 H new ATOM 0 HB2 PRO A 105 115.260 20.002 9.559 1.00 0.00 H new ATOM 0 HB3 PRO A 105 114.734 19.584 11.178 1.00 0.00 H new ATOM 0 HG2 PRO A 105 117.512 19.744 10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 105 116.931 20.165 11.670 1.00 0.00 H new ATOM 0 HD2 PRO A 105 118.291 17.872 11.271 1.00 0.00 H new ATOM 0 HD3 PRO A 105 116.971 17.928 12.423 1.00 0.00 H new ATOM 1631 N ARG A 106 116.307 17.569 7.768 1.00 0.00 N ATOM 1632 CA ARG A 106 116.322 17.420 6.313 1.00 0.00 C ATOM 1633 C ARG A 106 115.538 16.178 5.894 1.00 0.00 C ATOM 1634 O ARG A 106 114.915 16.150 4.832 1.00 0.00 O ATOM 1635 CB ARG A 106 117.755 17.322 5.778 1.00 0.00 C ATOM 1636 CG ARG A 106 118.660 18.465 6.208 1.00 0.00 C ATOM 1637 CD ARG A 106 119.990 18.434 5.467 1.00 0.00 C ATOM 1638 NE ARG A 106 119.863 18.954 4.106 1.00 0.00 N ATOM 1639 CZ ARG A 106 120.557 18.516 3.055 1.00 0.00 C ATOM 1640 NH1 ARG A 106 121.432 17.528 3.184 1.00 0.00 N ATOM 1641 NH2 ARG A 106 120.370 19.083 1.872 1.00 0.00 N ATOM 0 H ARG A 106 117.224 17.512 8.210 1.00 0.00 H new ATOM 0 HA ARG A 106 115.851 18.307 5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 106 118.192 16.381 6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 106 117.723 17.289 4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 106 118.161 19.416 6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 106 118.839 18.404 7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 106 120.726 19.023 6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 106 120.363 17.411 5.432 1.00 0.00 H new ATOM 0 HE ARG A 106 119.194 19.708 3.949 1.00 0.00 H new ATOM 0 HH11 ARG A 106 121.580 17.094 4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 106 121.957 17.202 2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 106 119.701 19.846 1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 106 120.895 18.756 1.061 1.00 0.00 H new ATOM 1655 N LEU A 107 115.556 15.159 6.745 1.00 0.00 N ATOM 1656 CA LEU A 107 114.868 13.908 6.456 1.00 0.00 C ATOM 1657 C LEU A 107 113.403 13.989 6.863 1.00 0.00 C ATOM 1658 O LEU A 107 112.591 13.151 6.470 1.00 0.00 O ATOM 1659 CB LEU A 107 115.552 12.744 7.174 1.00 0.00 C ATOM 1660 CG LEU A 107 117.004 12.492 6.770 1.00 0.00 C ATOM 1661 CD1 LEU A 107 117.560 11.285 7.508 1.00 0.00 C ATOM 1662 CD2 LEU A 107 117.109 12.294 5.265 1.00 0.00 C ATOM 0 H LEU A 107 116.041 15.175 7.642 1.00 0.00 H new ATOM 0 HA LEU A 107 114.917 13.735 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 107 115.518 12.930 8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 107 114.978 11.836 6.989 1.00 0.00 H new ATOM 0 HG LEU A 107 117.596 13.365 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 107 118.595 11.120 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 107 117.518 11.464 8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 107 116.967 10.404 7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 107 118.149 12.116 4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 107 116.504 11.437 4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 107 116.749 13.187 4.755 1.00 0.00 H new ATOM 1674 N ALA A 108 113.065 15.009 7.641 1.00 0.00 N ATOM 1675 CA ALA A 108 111.683 15.242 8.029 1.00 0.00 C ATOM 1676 C ALA A 108 110.880 15.743 6.835 1.00 0.00 C ATOM 1677 O ALA A 108 109.659 15.605 6.786 1.00 0.00 O ATOM 1678 CB ALA A 108 111.607 16.237 9.179 1.00 0.00 C ATOM 0 H ALA A 108 113.729 15.687 8.015 1.00 0.00 H new ATOM 0 HA ALA A 108 111.255 14.299 8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 108 110.564 16.397 9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 108 112.152 15.844 10.037 1.00 0.00 H new ATOM 0 HB3 ALA A 108 112.050 17.184 8.871 1.00 0.00 H new ATOM 1684 N ASP A 109 111.585 16.320 5.867 1.00 0.00 N ATOM 1685 CA ASP A 109 110.966 16.793 4.635 1.00 0.00 C ATOM 1686 C ASP A 109 110.807 15.643 3.648 1.00 0.00 C ATOM 1687 O ASP A 109 110.022 15.722 2.703 1.00 0.00 O ATOM 1688 CB ASP A 109 111.811 17.907 4.007 1.00 0.00 C ATOM 1689 CG ASP A 109 111.217 18.440 2.717 1.00 0.00 C ATOM 1690 OD1 ASP A 109 110.269 19.250 2.782 1.00 0.00 O ATOM 1691 OD2 ASP A 109 111.702 18.062 1.630 1.00 0.00 O ATOM 0 H ASP A 109 112.593 16.472 5.914 1.00 0.00 H new ATOM 0 HA ASP A 109 109.980 17.192 4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 109 111.913 18.725 4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 109 112.814 17.529 3.811 1.00 0.00 H new ATOM 1696 N MET A 110 111.534 14.562 3.904 1.00 0.00 N ATOM 1697 CA MET A 110 111.553 13.407 3.016 1.00 0.00 C ATOM 1698 C MET A 110 110.221 12.661 3.086 1.00 0.00 C ATOM 1699 O MET A 110 109.564 12.651 4.132 1.00 0.00 O ATOM 1700 CB MET A 110 112.719 12.486 3.401 1.00 0.00 C ATOM 1701 CG MET A 110 112.856 11.243 2.533 1.00 0.00 C ATOM 1702 SD MET A 110 114.307 10.255 2.954 1.00 0.00 S ATOM 1703 CE MET A 110 114.031 9.949 4.697 1.00 0.00 C ATOM 0 H MET A 110 112.125 14.462 4.730 1.00 0.00 H new ATOM 0 HA MET A 110 111.695 13.742 1.988 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.647 13.055 3.348 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.594 12.177 4.439 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.961 10.630 2.640 1.00 0.00 H new ATOM 0 HG3 MET A 110 112.916 11.541 1.486 1.00 0.00 H new ATOM 0 HE1 MET A 110 114.802 10.451 5.281 1.00 0.00 H new ATOM 0 HE2 MET A 110 113.052 10.332 4.983 1.00 0.00 H new ATOM 0 HE3 MET A 110 114.071 8.877 4.889 1.00 0.00 H new ATOM 1713 N ALA A 111 109.835 12.035 1.973 1.00 0.00 N ATOM 1714 CA ALA A 111 108.541 11.356 1.866 1.00 0.00 C ATOM 1715 C ALA A 111 108.339 10.319 2.968 1.00 0.00 C ATOM 1716 O ALA A 111 107.209 10.039 3.357 1.00 0.00 O ATOM 1717 CB ALA A 111 108.394 10.701 0.497 1.00 0.00 C ATOM 0 H ALA A 111 110.404 11.984 1.128 1.00 0.00 H new ATOM 0 HA ALA A 111 107.770 12.117 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 111 107.427 10.201 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 111 108.459 11.463 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 111 109.190 9.970 0.356 1.00 0.00 H new ATOM 1723 N LEU A 112 109.439 9.766 3.478 1.00 0.00 N ATOM 1724 CA LEU A 112 109.377 8.756 4.533 1.00 0.00 C ATOM 1725 C LEU A 112 108.690 9.301 5.781 1.00 0.00 C ATOM 1726 O LEU A 112 107.886 8.613 6.412 1.00 0.00 O ATOM 1727 CB LEU A 112 110.784 8.262 4.884 1.00 0.00 C ATOM 1728 CG LEU A 112 110.848 7.183 5.970 1.00 0.00 C ATOM 1729 CD1 LEU A 112 110.129 5.920 5.518 1.00 0.00 C ATOM 1730 CD2 LEU A 112 112.293 6.873 6.328 1.00 0.00 C ATOM 0 H LEU A 112 110.385 10.001 3.177 1.00 0.00 H new ATOM 0 HA LEU A 112 108.788 7.919 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 112 111.250 7.872 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 112 111.380 9.115 5.207 1.00 0.00 H new ATOM 0 HG LEU A 112 110.345 7.563 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 112 110.187 5.167 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 112 109.084 6.150 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 112 110.601 5.537 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 112 112.320 6.105 7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 112 112.819 6.515 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 112 112.778 7.776 6.698 1.00 0.00 H new ATOM 1742 N MET A 113 109.006 10.542 6.122 1.00 0.00 N ATOM 1743 CA MET A 113 108.454 11.171 7.314 1.00 0.00 C ATOM 1744 C MET A 113 107.157 11.901 6.983 1.00 0.00 C ATOM 1745 O MET A 113 106.244 11.973 7.806 1.00 0.00 O ATOM 1746 CB MET A 113 109.473 12.140 7.920 1.00 0.00 C ATOM 1747 CG MET A 113 108.979 12.834 9.179 1.00 0.00 C ATOM 1748 SD MET A 113 108.516 11.667 10.478 1.00 0.00 S ATOM 1749 CE MET A 113 107.900 12.786 11.734 1.00 0.00 C ATOM 0 H MET A 113 109.643 11.134 5.589 1.00 0.00 H new ATOM 0 HA MET A 113 108.232 10.394 8.045 1.00 0.00 H new ATOM 0 HB2 MET A 113 110.388 11.594 8.151 1.00 0.00 H new ATOM 0 HB3 MET A 113 109.731 12.894 7.177 1.00 0.00 H new ATOM 0 HG2 MET A 113 109.758 13.498 9.553 1.00 0.00 H new ATOM 0 HG3 MET A 113 108.120 13.458 8.933 1.00 0.00 H new ATOM 0 HE1 MET A 113 107.575 12.214 12.603 1.00 0.00 H new ATOM 0 HE2 MET A 113 108.692 13.474 12.028 1.00 0.00 H new ATOM 0 HE3 MET A 113 107.058 13.352 11.336 1.00 0.00 H new ATOM 1759 N LYS A 114 107.080 12.433 5.768 1.00 0.00 N ATOM 1760 CA LYS A 114 105.899 13.164 5.324 1.00 0.00 C ATOM 1761 C LYS A 114 104.702 12.237 5.161 1.00 0.00 C ATOM 1762 O LYS A 114 103.653 12.444 5.775 1.00 0.00 O ATOM 1763 CB LYS A 114 106.185 13.885 4.005 1.00 0.00 C ATOM 1764 CG LYS A 114 107.149 15.047 4.144 1.00 0.00 C ATOM 1765 CD LYS A 114 106.561 16.154 5.004 1.00 0.00 C ATOM 1766 CE LYS A 114 107.516 17.325 5.143 1.00 0.00 C ATOM 1767 NZ LYS A 114 107.885 17.905 3.823 1.00 0.00 N ATOM 0 H LYS A 114 107.823 12.371 5.072 1.00 0.00 H new ATOM 0 HA LYS A 114 105.656 13.900 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 114 106.592 13.170 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 114 105.246 14.251 3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 114 108.082 14.697 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 114 107.392 15.441 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 114 105.625 16.498 4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 114 106.323 15.760 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 114 107.056 18.096 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 114 108.418 16.997 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 108.383 18.807 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 108.507 17.244 3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 107.024 18.070 3.263 1.00 0.00 H new ATOM 1781 N TYR A 115 104.861 11.213 4.338 1.00 0.00 N ATOM 1782 CA TYR A 115 103.784 10.278 4.072 1.00 0.00 C ATOM 1783 C TYR A 115 104.265 8.854 4.285 1.00 0.00 C ATOM 1784 O TYR A 115 104.693 8.179 3.348 1.00 0.00 O ATOM 1785 CB TYR A 115 103.248 10.454 2.646 1.00 0.00 C ATOM 1786 CG TYR A 115 102.772 11.858 2.350 1.00 0.00 C ATOM 1787 CD1 TYR A 115 101.506 12.278 2.738 1.00 0.00 C ATOM 1788 CD2 TYR A 115 103.593 12.768 1.694 1.00 0.00 C ATOM 1789 CE1 TYR A 115 101.072 13.564 2.481 1.00 0.00 C ATOM 1790 CE2 TYR A 115 103.167 14.056 1.436 1.00 0.00 C ATOM 1791 CZ TYR A 115 101.907 14.448 1.830 1.00 0.00 C ATOM 1792 OH TYR A 115 101.476 15.731 1.579 1.00 0.00 O ATOM 0 H TYR A 115 105.729 11.009 3.842 1.00 0.00 H new ATOM 0 HA TYR A 115 102.970 10.483 4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 115 104.031 10.187 1.936 1.00 0.00 H new ATOM 0 HB3 TYR A 115 102.424 9.758 2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 115 100.851 11.588 3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 115 104.580 12.463 1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 115 100.085 13.875 2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 115 103.818 14.752 0.928 1.00 0.00 H new ATOM 0 HH TYR A 115 102.181 16.228 1.115 1.00 0.00 H new ATOM 1802 N SER A 116 104.202 8.402 5.528 1.00 0.00 N ATOM 1803 CA SER A 116 104.672 7.075 5.883 1.00 0.00 C ATOM 1804 C SER A 116 103.721 5.997 5.360 1.00 0.00 C ATOM 1805 O SER A 116 104.053 4.812 5.359 1.00 0.00 O ATOM 1806 CB SER A 116 104.825 6.976 7.399 1.00 0.00 C ATOM 1807 OG SER A 116 105.623 8.043 7.896 1.00 0.00 O ATOM 0 H SER A 116 103.828 8.939 6.310 1.00 0.00 H new ATOM 0 HA SER A 116 105.643 6.909 5.416 1.00 0.00 H new ATOM 0 HB2 SER A 116 103.843 7.000 7.871 1.00 0.00 H new ATOM 0 HB3 SER A 116 105.281 6.022 7.662 1.00 0.00 H new ATOM 0 HG SER A 116 106.364 8.213 7.277 1.00 0.00 H new ATOM 1813 N ARG A 117 102.546 6.422 4.905 1.00 0.00 N ATOM 1814 CA ARG A 117 101.576 5.514 4.310 1.00 0.00 C ATOM 1815 C ARG A 117 102.087 4.978 2.976 1.00 0.00 C ATOM 1816 O ARG A 117 101.811 3.837 2.604 1.00 0.00 O ATOM 1817 CB ARG A 117 100.238 6.228 4.104 1.00 0.00 C ATOM 1818 CG ARG A 117 99.540 6.617 5.397 1.00 0.00 C ATOM 1819 CD ARG A 117 99.249 5.396 6.251 1.00 0.00 C ATOM 1820 NE ARG A 117 98.440 5.713 7.424 1.00 0.00 N ATOM 1821 CZ ARG A 117 97.877 4.787 8.198 1.00 0.00 C ATOM 1822 NH1 ARG A 117 98.052 3.501 7.922 1.00 0.00 N ATOM 1823 NH2 ARG A 117 97.142 5.139 9.243 1.00 0.00 N ATOM 0 H ARG A 117 102.243 7.395 4.938 1.00 0.00 H new ATOM 0 HA ARG A 117 101.432 4.675 4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 117 100.405 7.126 3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 117 99.577 5.581 3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 117 100.165 7.314 5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 117 98.609 7.135 5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 117 98.732 4.650 5.648 1.00 0.00 H new ATOM 0 HD3 ARG A 117 100.190 4.949 6.573 1.00 0.00 H new ATOM 0 HE ARG A 117 98.299 6.694 7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 117 98.616 3.224 7.119 1.00 0.00 H new ATOM 0 HH12 ARG A 117 97.622 2.789 8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 117 97.004 6.126 9.460 1.00 0.00 H new ATOM 0 HH22 ARG A 117 96.715 4.423 9.830 1.00 0.00 H new ATOM 1837 N LEU A 118 102.844 5.811 2.273 1.00 0.00 N ATOM 1838 CA LEU A 118 103.393 5.452 0.974 1.00 0.00 C ATOM 1839 C LEU A 118 104.460 4.374 1.133 1.00 0.00 C ATOM 1840 O LEU A 118 105.502 4.614 1.737 1.00 0.00 O ATOM 1841 CB LEU A 118 103.991 6.697 0.308 1.00 0.00 C ATOM 1842 CG LEU A 118 104.574 6.489 -1.090 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.496 6.042 -2.060 1.00 0.00 C ATOM 1844 CD2 LEU A 118 105.232 7.768 -1.582 1.00 0.00 C ATOM 0 H LEU A 118 103.093 6.749 2.586 1.00 0.00 H new ATOM 0 HA LEU A 118 102.595 5.058 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 118 103.216 7.461 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.776 7.090 0.954 1.00 0.00 H new ATOM 0 HG LEU A 118 105.330 5.706 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 118 103.932 5.900 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 118 103.064 5.103 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.717 6.802 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.643 7.606 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 118 104.491 8.567 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 118 106.034 8.050 -0.900 1.00 0.00 H new ATOM 1856 N SER A 119 104.187 3.183 0.614 1.00 0.00 N ATOM 1857 CA SER A 119 105.131 2.079 0.714 1.00 0.00 C ATOM 1858 C SER A 119 106.375 2.356 -0.131 1.00 0.00 C ATOM 1859 O SER A 119 107.478 2.472 0.402 1.00 0.00 O ATOM 1860 CB SER A 119 104.467 0.768 0.277 1.00 0.00 C ATOM 1861 OG SER A 119 105.329 -0.340 0.475 1.00 0.00 O ATOM 0 H SER A 119 103.323 2.958 0.121 1.00 0.00 H new ATOM 0 HA SER A 119 105.439 1.982 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 119 103.546 0.619 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 119 104.190 0.832 -0.775 1.00 0.00 H new ATOM 0 HG SER A 119 104.877 -1.161 0.189 1.00 0.00 H new ATOM 1867 N VAL A 120 106.185 2.482 -1.441 1.00 0.00 N ATOM 1868 CA VAL A 120 107.292 2.752 -2.349 1.00 0.00 C ATOM 1869 C VAL A 120 107.439 4.250 -2.574 1.00 0.00 C ATOM 1870 O VAL A 120 106.626 4.872 -3.258 1.00 0.00 O ATOM 1871 CB VAL A 120 107.109 2.042 -3.708 1.00 0.00 C ATOM 1872 CG1 VAL A 120 108.278 2.344 -4.635 1.00 0.00 C ATOM 1873 CG2 VAL A 120 106.956 0.540 -3.512 1.00 0.00 C ATOM 0 H VAL A 120 105.276 2.401 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 120 108.195 2.360 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 120 106.199 2.422 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 120 108.129 1.834 -5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 120 108.339 3.419 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 120 109.204 1.996 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 120 106.828 0.058 -4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.847 0.144 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 120 106.083 0.341 -2.890 1.00 0.00 H new ATOM 1883 N GLN A 121 108.478 4.818 -1.990 1.00 0.00 N ATOM 1884 CA GLN A 121 108.692 6.255 -2.028 1.00 0.00 C ATOM 1885 C GLN A 121 109.810 6.618 -2.996 1.00 0.00 C ATOM 1886 O GLN A 121 110.796 5.890 -3.114 1.00 0.00 O ATOM 1887 CB GLN A 121 109.045 6.762 -0.631 1.00 0.00 C ATOM 1888 CG GLN A 121 108.016 6.399 0.422 1.00 0.00 C ATOM 1889 CD GLN A 121 108.504 6.674 1.827 1.00 0.00 C ATOM 1890 OE1 GLN A 121 107.721 6.969 2.726 1.00 0.00 O ATOM 1891 NE2 GLN A 121 109.805 6.555 2.038 1.00 0.00 N ATOM 0 H GLN A 121 109.194 4.301 -1.479 1.00 0.00 H new ATOM 0 HA GLN A 121 107.771 6.726 -2.371 1.00 0.00 H new ATOM 0 HB2 GLN A 121 110.012 6.353 -0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 121 109.153 7.846 -0.663 1.00 0.00 H new ATOM 0 HG2 GLN A 121 107.101 6.964 0.241 1.00 0.00 H new ATOM 0 HG3 GLN A 121 107.762 5.343 0.329 1.00 0.00 H new ATOM 0 HE21 GLN A 121 110.426 6.308 1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 121 110.187 6.710 2.971 1.00 0.00 H new ATOM 1900 N PRO A 122 109.660 7.738 -3.713 1.00 0.00 N ATOM 1901 CA PRO A 122 110.702 8.277 -4.577 1.00 0.00 C ATOM 1902 C PRO A 122 111.724 9.092 -3.785 1.00 0.00 C ATOM 1903 O PRO A 122 111.373 10.061 -3.106 1.00 0.00 O ATOM 1904 CB PRO A 122 109.936 9.183 -5.558 1.00 0.00 C ATOM 1905 CG PRO A 122 108.489 9.094 -5.168 1.00 0.00 C ATOM 1906 CD PRO A 122 108.454 8.565 -3.763 1.00 0.00 C ATOM 0 HA PRO A 122 111.271 7.491 -5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 122 110.293 10.211 -5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 122 110.083 8.854 -6.587 1.00 0.00 H new ATOM 0 HG2 PRO A 122 108.012 10.072 -5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 122 107.946 8.434 -5.844 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.480 9.367 -3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.553 7.983 -3.570 1.00 0.00 H new ATOM 1914 N VAL A 123 112.983 8.693 -3.861 1.00 0.00 N ATOM 1915 CA VAL A 123 114.045 9.385 -3.148 1.00 0.00 C ATOM 1916 C VAL A 123 114.966 10.091 -4.137 1.00 0.00 C ATOM 1917 O VAL A 123 115.355 9.514 -5.152 1.00 0.00 O ATOM 1918 CB VAL A 123 114.872 8.410 -2.279 1.00 0.00 C ATOM 1919 CG1 VAL A 123 115.941 9.150 -1.491 1.00 0.00 C ATOM 1920 CG2 VAL A 123 113.969 7.627 -1.339 1.00 0.00 C ATOM 0 H VAL A 123 113.295 7.892 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 123 113.579 10.119 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 123 115.368 7.708 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.507 8.439 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.615 9.659 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.469 9.884 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.572 6.947 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.439 8.318 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.248 7.053 -1.921 1.00 0.00 H new ATOM 1930 N THR A 124 115.301 11.342 -3.856 1.00 0.00 N ATOM 1931 CA THR A 124 116.189 12.093 -4.731 1.00 0.00 C ATOM 1932 C THR A 124 117.647 11.770 -4.417 1.00 0.00 C ATOM 1933 O THR A 124 117.946 11.114 -3.415 1.00 0.00 O ATOM 1934 CB THR A 124 115.960 13.611 -4.616 1.00 0.00 C ATOM 1935 OG1 THR A 124 116.165 14.041 -3.267 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.557 13.984 -5.071 1.00 0.00 C ATOM 0 H THR A 124 114.975 11.855 -3.037 1.00 0.00 H new ATOM 0 HA THR A 124 115.961 11.793 -5.754 1.00 0.00 H new ATOM 0 HB THR A 124 116.678 14.113 -5.265 1.00 0.00 H new ATOM 0 HG1 THR A 124 115.324 13.967 -2.769 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.420 15.061 -4.980 1.00 0.00 H new ATOM 0 HG22 THR A 124 114.421 13.687 -6.111 1.00 0.00 H new ATOM 0 HG23 THR A 124 113.824 13.471 -4.448 1.00 0.00 H new ATOM 1944 N ALA A 125 118.548 12.238 -5.273 1.00 0.00 N ATOM 1945 CA ALA A 125 119.969 11.951 -5.130 1.00 0.00 C ATOM 1946 C ALA A 125 120.515 12.413 -3.786 1.00 0.00 C ATOM 1947 O ALA A 125 121.130 11.632 -3.065 1.00 0.00 O ATOM 1948 CB ALA A 125 120.753 12.595 -6.264 1.00 0.00 C ATOM 0 H ALA A 125 118.317 12.821 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 125 120.088 10.869 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 125 121.813 12.373 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.404 12.200 -7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.604 13.675 -6.242 1.00 0.00 H new ATOM 1954 N GLU A 126 120.271 13.670 -3.438 1.00 0.00 N ATOM 1955 CA GLU A 126 120.877 14.248 -2.246 1.00 0.00 C ATOM 1956 C GLU A 126 120.271 13.652 -0.976 1.00 0.00 C ATOM 1957 O GLU A 126 120.971 13.473 0.021 1.00 0.00 O ATOM 1958 CB GLU A 126 120.733 15.771 -2.254 1.00 0.00 C ATOM 1959 CG GLU A 126 121.971 16.499 -1.749 1.00 0.00 C ATOM 1960 CD GLU A 126 121.739 17.247 -0.452 1.00 0.00 C ATOM 1961 OE1 GLU A 126 121.890 16.638 0.629 1.00 0.00 O ATOM 1962 OE2 GLU A 126 121.417 18.452 -0.508 1.00 0.00 O ATOM 0 H GLU A 126 119.664 14.303 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 126 121.939 14.003 -2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 126 120.515 16.102 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 126 119.879 16.051 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 126 122.775 15.777 -1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 126 122.307 17.202 -2.511 1.00 0.00 H new ATOM 1969 N GLU A 127 118.977 13.334 -1.014 1.00 0.00 N ATOM 1970 CA GLU A 127 118.324 12.683 0.121 1.00 0.00 C ATOM 1971 C GLU A 127 118.931 11.305 0.349 1.00 0.00 C ATOM 1972 O GLU A 127 119.310 10.959 1.470 1.00 0.00 O ATOM 1973 CB GLU A 127 116.816 12.560 -0.106 1.00 0.00 C ATOM 1974 CG GLU A 127 116.101 13.899 -0.182 1.00 0.00 C ATOM 1975 CD GLU A 127 114.614 13.757 -0.445 1.00 0.00 C ATOM 1976 OE1 GLU A 127 114.245 13.314 -1.557 1.00 0.00 O ATOM 1977 OE2 GLU A 127 113.810 14.104 0.448 1.00 0.00 O ATOM 0 H GLU A 127 118.365 13.514 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 127 118.484 13.299 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.640 12.011 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.382 11.971 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 127 116.250 14.439 0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.549 14.501 -0.973 1.00 0.00 H new ATOM 1984 N TRP A 128 119.040 10.536 -0.729 1.00 0.00 N ATOM 1985 CA TRP A 128 119.671 9.222 -0.687 1.00 0.00 C ATOM 1986 C TRP A 128 121.098 9.330 -0.163 1.00 0.00 C ATOM 1987 O TRP A 128 121.493 8.612 0.759 1.00 0.00 O ATOM 1988 CB TRP A 128 119.677 8.607 -2.089 1.00 0.00 C ATOM 1989 CG TRP A 128 120.373 7.281 -2.164 1.00 0.00 C ATOM 1990 CD1 TRP A 128 121.709 7.061 -2.359 1.00 0.00 C ATOM 1991 CD2 TRP A 128 119.765 5.991 -2.058 1.00 0.00 C ATOM 1992 NE1 TRP A 128 121.967 5.713 -2.366 1.00 0.00 N ATOM 1993 CE2 TRP A 128 120.789 5.036 -2.185 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.453 5.551 -1.862 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.542 3.671 -2.124 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.209 4.195 -1.804 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.249 3.270 -1.933 1.00 0.00 C ATOM 0 H TRP A 128 118.696 10.804 -1.651 1.00 0.00 H new ATOM 0 HA TRP A 128 119.101 8.582 -0.013 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.648 8.487 -2.427 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.160 9.300 -2.778 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.452 7.834 -2.488 1.00 0.00 H new ATOM 0 HE1 TRP A 128 122.885 5.285 -2.486 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.645 6.260 -1.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.342 2.952 -2.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.199 3.842 -1.657 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.026 2.215 -1.881 1.00 0.00 H new ATOM 2008 N LYS A 129 121.860 10.241 -0.757 1.00 0.00 N ATOM 2009 CA LYS A 129 123.257 10.441 -0.396 1.00 0.00 C ATOM 2010 C LYS A 129 123.404 10.849 1.070 1.00 0.00 C ATOM 2011 O LYS A 129 124.425 10.561 1.703 1.00 0.00 O ATOM 2012 CB LYS A 129 123.892 11.505 -1.302 1.00 0.00 C ATOM 2013 CG LYS A 129 124.118 11.055 -2.741 1.00 0.00 C ATOM 2014 CD LYS A 129 124.970 9.798 -2.805 1.00 0.00 C ATOM 2015 CE LYS A 129 125.564 9.572 -4.191 1.00 0.00 C ATOM 2016 NZ LYS A 129 124.531 9.503 -5.261 1.00 0.00 N ATOM 0 H LYS A 129 121.529 10.858 -1.498 1.00 0.00 H new ATOM 0 HA LYS A 129 123.775 9.492 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.253 12.388 -1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 129 124.848 11.805 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 129 123.157 10.869 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 129 124.604 11.854 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 129 125.775 9.870 -2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 129 124.364 8.936 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 129 126.261 10.379 -4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 129 126.139 8.646 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 124.993 9.536 -6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 123.997 8.615 -5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 123.881 10.309 -5.168 1.00 0.00 H new ATOM 2030 N LEU A 130 122.381 11.505 1.605 1.00 0.00 N ATOM 2031 CA LEU A 130 122.401 11.967 2.986 1.00 0.00 C ATOM 2032 C LEU A 130 122.223 10.798 3.947 1.00 0.00 C ATOM 2033 O LEU A 130 123.029 10.607 4.850 1.00 0.00 O ATOM 2034 CB LEU A 130 121.300 13.007 3.217 1.00 0.00 C ATOM 2035 CG LEU A 130 121.288 13.650 4.607 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.525 14.509 4.813 1.00 0.00 C ATOM 2037 CD2 LEU A 130 120.029 14.480 4.797 1.00 0.00 C ATOM 0 H LEU A 130 121.524 11.729 1.100 1.00 0.00 H new ATOM 0 HA LEU A 130 123.369 12.430 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.405 13.795 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.334 12.533 3.046 1.00 0.00 H new ATOM 0 HG LEU A 130 121.296 12.854 5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.496 14.956 5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.417 13.890 4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 130 122.550 15.298 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.036 14.930 5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 130 119.994 15.266 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.153 13.840 4.695 1.00 0.00 H new ATOM 2049 N VAL A 131 121.177 10.009 3.733 1.00 0.00 N ATOM 2050 CA VAL A 131 120.890 8.868 4.601 1.00 0.00 C ATOM 2051 C VAL A 131 122.042 7.869 4.582 1.00 0.00 C ATOM 2052 O VAL A 131 122.379 7.279 5.605 1.00 0.00 O ATOM 2053 CB VAL A 131 119.575 8.164 4.192 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.280 6.979 5.102 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.418 9.146 4.220 1.00 0.00 C ATOM 0 H VAL A 131 120.514 10.136 2.969 1.00 0.00 H new ATOM 0 HA VAL A 131 120.772 9.252 5.614 1.00 0.00 H new ATOM 0 HB VAL A 131 119.697 7.790 3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.350 6.504 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 131 120.095 6.258 5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.184 7.326 6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.500 8.635 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.307 9.548 5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.615 9.961 3.523 1.00 0.00 H new ATOM 2065 N CYS A 132 122.663 7.705 3.419 1.00 0.00 N ATOM 2066 CA CYS A 132 123.824 6.833 3.294 1.00 0.00 C ATOM 2067 C CYS A 132 124.963 7.313 4.189 1.00 0.00 C ATOM 2068 O CYS A 132 125.457 6.567 5.030 1.00 0.00 O ATOM 2069 CB CYS A 132 124.295 6.769 1.840 1.00 0.00 C ATOM 2070 SG CYS A 132 123.072 6.090 0.699 1.00 0.00 S ATOM 0 H CYS A 132 122.383 8.163 2.552 1.00 0.00 H new ATOM 0 HA CYS A 132 123.528 5.834 3.613 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.564 7.773 1.512 1.00 0.00 H new ATOM 0 HB3 CYS A 132 125.200 6.163 1.789 1.00 0.00 H new ATOM 0 HG CYS A 132 122.161 6.985 0.456 1.00 0.00 H new ATOM 2076 N LYS A 133 125.358 8.573 4.031 1.00 0.00 N ATOM 2077 CA LYS A 133 126.473 9.114 4.800 1.00 0.00 C ATOM 2078 C LYS A 133 126.109 9.210 6.281 1.00 0.00 C ATOM 2079 O LYS A 133 126.976 9.170 7.151 1.00 0.00 O ATOM 2080 CB LYS A 133 126.891 10.488 4.261 1.00 0.00 C ATOM 2081 CG LYS A 133 125.887 11.602 4.523 1.00 0.00 C ATOM 2082 CD LYS A 133 126.402 12.965 4.066 1.00 0.00 C ATOM 2083 CE LYS A 133 126.154 13.217 2.582 1.00 0.00 C ATOM 2084 NZ LYS A 133 126.923 12.291 1.707 1.00 0.00 N ATOM 0 H LYS A 133 124.927 9.233 3.384 1.00 0.00 H new ATOM 0 HA LYS A 133 127.318 8.434 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 133 127.846 10.764 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 133 127.054 10.408 3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 133 124.954 11.376 4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 133 125.660 11.640 5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 133 125.917 13.747 4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 133 127.471 13.032 4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 133 125.090 13.109 2.372 1.00 0.00 H new ATOM 0 HE3 LYS A 133 126.424 14.245 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 127.099 12.747 0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 127.831 12.060 2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 126.377 11.418 1.561 1.00 0.00 H new ATOM 2098 N MET A 134 124.815 9.320 6.551 1.00 0.00 N ATOM 2099 CA MET A 134 124.307 9.404 7.912 1.00 0.00 C ATOM 2100 C MET A 134 124.304 8.026 8.568 1.00 0.00 C ATOM 2101 O MET A 134 124.425 7.906 9.787 1.00 0.00 O ATOM 2102 CB MET A 134 122.893 9.989 7.891 1.00 0.00 C ATOM 2103 CG MET A 134 122.282 10.214 9.262 1.00 0.00 C ATOM 2104 SD MET A 134 120.647 10.956 9.160 1.00 0.00 S ATOM 2105 CE MET A 134 120.215 11.031 10.889 1.00 0.00 C ATOM 0 H MET A 134 124.090 9.353 5.834 1.00 0.00 H new ATOM 0 HA MET A 134 124.957 10.055 8.497 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.915 10.939 7.357 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.245 9.320 7.324 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.216 9.262 9.789 1.00 0.00 H new ATOM 0 HG3 MET A 134 122.936 10.859 9.849 1.00 0.00 H new ATOM 0 HE1 MET A 134 119.753 11.994 11.107 1.00 0.00 H new ATOM 0 HE2 MET A 134 119.514 10.230 11.124 1.00 0.00 H new ATOM 0 HE3 MET A 134 121.114 10.915 11.494 1.00 0.00 H new ATOM 2115 N GLY A 135 124.190 6.989 7.747 1.00 0.00 N ATOM 2116 CA GLY A 135 124.155 5.629 8.254 1.00 0.00 C ATOM 2117 C GLY A 135 125.537 5.017 8.382 1.00 0.00 C ATOM 2118 O GLY A 135 125.708 3.807 8.212 1.00 0.00 O ATOM 0 H GLY A 135 124.121 7.066 6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 135 123.667 5.621 9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.549 5.013 7.589 1.00 0.00 H new ATOM 2122 N GLY A 136 126.523 5.857 8.679 1.00 0.00 N ATOM 2123 CA GLY A 136 127.881 5.386 8.867 1.00 0.00 C ATOM 2124 C GLY A 136 128.478 4.798 7.605 1.00 0.00 C ATOM 2125 O GLY A 136 129.170 3.782 7.655 1.00 0.00 O ATOM 0 H GLY A 136 126.403 6.863 8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.504 6.213 9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 136 127.894 4.633 9.655 1.00 0.00 H new ATOM 2129 N LEU A 137 128.200 5.430 6.476 1.00 0.00 N ATOM 2130 CA LEU A 137 128.739 4.993 5.197 1.00 0.00 C ATOM 2131 C LEU A 137 129.587 6.113 4.595 1.00 0.00 C ATOM 2132 O LEU A 137 129.637 6.303 3.376 1.00 0.00 O ATOM 2133 CB LEU A 137 127.586 4.637 4.257 1.00 0.00 C ATOM 2134 CG LEU A 137 127.957 3.820 3.021 1.00 0.00 C ATOM 2135 CD1 LEU A 137 128.230 2.375 3.405 1.00 0.00 C ATOM 2136 CD2 LEU A 137 126.848 3.905 1.986 1.00 0.00 C ATOM 0 H LEU A 137 127.600 6.253 6.419 1.00 0.00 H new ATOM 0 HA LEU A 137 129.365 4.112 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.839 4.082 4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 137 127.113 5.562 3.928 1.00 0.00 H new ATOM 0 HG LEU A 137 128.867 4.233 2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 137 128.493 1.805 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 137 129.055 2.337 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 137 127.338 1.945 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 137 127.123 3.319 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.924 3.512 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 137 126.700 4.945 1.696 1.00 0.00 H new