USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 738 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 73 CYS SG : rot 78:sc= -0.013 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.383 X(o=-0.4,f=-0.33) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0874 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.755 K(o=0.76,f=-2.7!) USER MOD Single : A 11 MET CE :methyl -136:sc= 0 (180deg=-0.0645) USER MOD Single : A 13 LYS NZ :NH3+ 137:sc= -0.0396 (180deg=-0.572) USER MOD Single : A 14 SER OG : rot -101:sc= 1.24 USER MOD Single : A 19 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.79) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0756 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-0.00302 X(o=-0.003,f=-0.12) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 48:sc= 0.00999 USER MOD Single : A 38 MET CE :methyl -101:sc= -0.68 (180deg=-2.13) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.226 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= 1.19 (180deg=0.144) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 170:sc= 1.83 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -50:sc= 1.12 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.834 K(o=0.83,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 167:sc= 0.0543 USER MOD Single : A 98 MET CE :methyl 147:sc= -0.915 (180deg=-2.45) USER MOD Single : A 100 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.817 13.807 -11.843 1.00 0.00 N ATOM 2 CA GLY A 1 -14.871 12.746 -10.838 1.00 0.00 C ATOM 3 C GLY A 1 -14.862 13.288 -9.425 1.00 0.00 C ATOM 4 O GLY A 1 -14.859 14.501 -9.202 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.737 13.878 -12.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.596 14.712 -11.381 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.079 13.586 -12.542 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.771 12.151 -10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.021 12.078 -10.973 1.00 0.00 H new ATOM 8 N SER A 2 -14.867 12.357 -8.482 1.00 0.00 N ATOM 9 CA SER A 2 -14.516 12.466 -7.075 1.00 0.00 C ATOM 10 C SER A 2 -14.035 11.060 -6.680 1.00 0.00 C ATOM 11 O SER A 2 -14.103 10.148 -7.517 1.00 0.00 O ATOM 12 CB SER A 2 -15.723 12.941 -6.254 1.00 0.00 C ATOM 13 OG SER A 2 -16.899 12.218 -6.570 1.00 0.00 O ATOM 0 H SER A 2 -15.148 11.403 -8.710 1.00 0.00 H new ATOM 0 HA SER A 2 -13.738 13.206 -6.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.505 12.831 -5.192 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.890 14.002 -6.437 1.00 0.00 H new ATOM 0 HG SER A 2 -17.643 12.549 -6.025 1.00 0.00 H new ATOM 19 N HIS A 3 -13.581 10.843 -5.444 1.00 0.00 N ATOM 20 CA HIS A 3 -13.133 9.517 -5.034 1.00 0.00 C ATOM 21 C HIS A 3 -13.878 9.039 -3.801 1.00 0.00 C ATOM 22 O HIS A 3 -14.386 9.832 -3.006 1.00 0.00 O ATOM 23 CB HIS A 3 -11.616 9.490 -4.853 1.00 0.00 C ATOM 24 CG HIS A 3 -11.070 10.257 -3.675 1.00 0.00 C ATOM 25 ND1 HIS A 3 -10.953 9.789 -2.385 1.00 0.00 N ATOM 26 CD2 HIS A 3 -10.454 11.475 -3.734 1.00 0.00 C ATOM 27 CE1 HIS A 3 -10.248 10.696 -1.690 1.00 0.00 C ATOM 28 NE2 HIS A 3 -9.902 11.733 -2.473 1.00 0.00 N ATOM 0 H HIS A 3 -13.515 11.559 -4.721 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.372 8.811 -5.829 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.301 8.451 -4.760 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.156 9.883 -5.760 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -11.332 8.914 -2.024 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.402 12.122 -4.597 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.993 10.605 -0.644 1.00 0.00 H new ATOM 36 N GLU A 4 -13.912 7.722 -3.650 1.00 0.00 N ATOM 37 CA GLU A 4 -14.531 7.008 -2.555 1.00 0.00 C ATOM 38 C GLU A 4 -13.752 7.258 -1.255 1.00 0.00 C ATOM 39 O GLU A 4 -12.634 7.788 -1.262 1.00 0.00 O ATOM 40 CB GLU A 4 -14.596 5.506 -2.901 1.00 0.00 C ATOM 41 CG GLU A 4 -15.395 5.157 -4.174 1.00 0.00 C ATOM 42 CD GLU A 4 -14.567 5.172 -5.470 1.00 0.00 C ATOM 43 OE1 GLU A 4 -14.210 6.269 -5.958 1.00 0.00 O ATOM 44 OE2 GLU A 4 -14.293 4.085 -6.031 1.00 0.00 O ATOM 0 H GLU A 4 -13.483 7.093 -4.329 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.548 7.369 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.579 5.132 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.037 4.974 -2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.836 4.168 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.219 5.863 -4.276 1.00 0.00 H new ATOM 51 N GLY A 5 -14.327 6.867 -0.117 1.00 0.00 N ATOM 52 CA GLY A 5 -13.732 7.043 1.202 1.00 0.00 C ATOM 53 C GLY A 5 -12.941 5.819 1.663 1.00 0.00 C ATOM 54 O GLY A 5 -12.588 5.749 2.841 1.00 0.00 O ATOM 0 H GLY A 5 -15.238 6.410 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.073 7.911 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.519 7.255 1.925 1.00 0.00 H new ATOM 58 N GLU A 6 -12.693 4.847 0.783 1.00 0.00 N ATOM 59 CA GLU A 6 -12.128 3.541 1.105 1.00 0.00 C ATOM 60 C GLU A 6 -10.732 3.386 0.482 1.00 0.00 C ATOM 61 O GLU A 6 -10.594 2.846 -0.611 1.00 0.00 O ATOM 62 CB GLU A 6 -13.096 2.415 0.715 1.00 0.00 C ATOM 63 CG GLU A 6 -13.670 2.521 -0.709 1.00 0.00 C ATOM 64 CD GLU A 6 -14.538 1.316 -1.029 1.00 0.00 C ATOM 65 OE1 GLU A 6 -14.006 0.208 -1.273 1.00 0.00 O ATOM 66 OE2 GLU A 6 -15.783 1.452 -0.971 1.00 0.00 O ATOM 0 H GLU A 6 -12.889 4.955 -0.212 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.994 3.466 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.579 1.460 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.923 2.404 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.258 3.434 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.856 2.591 -1.430 1.00 0.00 H new ATOM 73 N PRO A 7 -9.674 3.864 1.161 1.00 0.00 N ATOM 74 CA PRO A 7 -8.302 3.722 0.686 1.00 0.00 C ATOM 75 C PRO A 7 -7.785 2.297 0.957 1.00 0.00 C ATOM 76 O PRO A 7 -6.877 2.087 1.760 1.00 0.00 O ATOM 77 CB PRO A 7 -7.533 4.786 1.473 1.00 0.00 C ATOM 78 CG PRO A 7 -8.261 4.736 2.821 1.00 0.00 C ATOM 79 CD PRO A 7 -9.713 4.626 2.395 1.00 0.00 C ATOM 0 HA PRO A 7 -8.194 3.863 -0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.474 4.545 1.567 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.596 5.769 1.007 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.947 3.883 3.422 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.078 5.630 3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.312 4.122 3.154 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.157 5.610 2.240 1.00 0.00 H new ATOM 87 N VAL A 8 -8.392 1.299 0.321 1.00 0.00 N ATOM 88 CA VAL A 8 -8.177 -0.112 0.624 1.00 0.00 C ATOM 89 C VAL A 8 -8.002 -0.847 -0.705 1.00 0.00 C ATOM 90 O VAL A 8 -8.250 -0.303 -1.782 1.00 0.00 O ATOM 91 CB VAL A 8 -9.318 -0.654 1.529 1.00 0.00 C ATOM 92 CG1 VAL A 8 -8.998 -2.038 2.123 1.00 0.00 C ATOM 93 CG2 VAL A 8 -9.597 0.283 2.720 1.00 0.00 C ATOM 0 H VAL A 8 -9.060 1.452 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.271 -0.274 1.208 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.185 -0.720 0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.829 -2.367 2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.844 -2.754 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.094 -1.974 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.401 -0.131 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.696 0.379 3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.892 1.265 2.349 1.00 0.00 H new ATOM 103 N VAL A 9 -7.495 -2.077 -0.650 1.00 0.00 N ATOM 104 CA VAL A 9 -7.082 -2.823 -1.825 1.00 0.00 C ATOM 105 C VAL A 9 -8.227 -3.746 -2.251 1.00 0.00 C ATOM 106 O VAL A 9 -8.140 -4.976 -2.146 1.00 0.00 O ATOM 107 CB VAL A 9 -5.737 -3.520 -1.540 1.00 0.00 C ATOM 108 CG1 VAL A 9 -5.202 -4.130 -2.842 1.00 0.00 C ATOM 109 CG2 VAL A 9 -4.643 -2.613 -0.969 1.00 0.00 C ATOM 0 H VAL A 9 -7.360 -2.585 0.224 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.891 -2.176 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.957 -4.267 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.250 -4.625 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.918 -4.858 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.057 -3.342 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.737 -3.196 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.433 -1.808 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.979 -2.188 -0.023 1.00 0.00 H new ATOM 119 N GLY A 10 -9.301 -3.149 -2.764 1.00 0.00 N ATOM 120 CA GLY A 10 -10.479 -3.856 -3.225 1.00 0.00 C ATOM 121 C GLY A 10 -10.467 -4.002 -4.738 1.00 0.00 C ATOM 122 O GLY A 10 -11.272 -3.384 -5.437 1.00 0.00 O ATOM 0 H GLY A 10 -9.371 -2.137 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.521 -4.841 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.375 -3.319 -2.915 1.00 0.00 H new ATOM 126 N MET A 11 -9.546 -4.832 -5.232 1.00 0.00 N ATOM 127 CA MET A 11 -9.381 -5.220 -6.632 1.00 0.00 C ATOM 128 C MET A 11 -9.138 -4.068 -7.615 1.00 0.00 C ATOM 129 O MET A 11 -9.173 -4.308 -8.819 1.00 0.00 O ATOM 130 CB MET A 11 -10.511 -6.170 -7.084 1.00 0.00 C ATOM 131 CG MET A 11 -10.363 -7.572 -6.479 1.00 0.00 C ATOM 132 SD MET A 11 -11.175 -8.882 -7.443 1.00 0.00 S ATOM 133 CE MET A 11 -9.989 -9.033 -8.810 1.00 0.00 C ATOM 0 H MET A 11 -8.855 -5.277 -4.628 1.00 0.00 H new ATOM 0 HA MET A 11 -8.440 -5.770 -6.665 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.474 -5.750 -6.794 1.00 0.00 H new ATOM 0 HB3 MET A 11 -10.509 -6.243 -8.172 1.00 0.00 H new ATOM 0 HG2 MET A 11 -9.303 -7.807 -6.387 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.777 -7.567 -5.471 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.529 -9.099 -9.755 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.337 -8.159 -8.825 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.388 -9.932 -8.672 1.00 0.00 H new ATOM 143 N ASP A 12 -8.815 -2.853 -7.163 1.00 0.00 N ATOM 144 CA ASP A 12 -8.124 -1.883 -8.013 1.00 0.00 C ATOM 145 C ASP A 12 -6.976 -1.237 -7.238 1.00 0.00 C ATOM 146 O ASP A 12 -6.807 -1.467 -6.034 1.00 0.00 O ATOM 147 CB ASP A 12 -9.083 -0.855 -8.647 1.00 0.00 C ATOM 148 CG ASP A 12 -8.360 0.009 -9.691 1.00 0.00 C ATOM 149 OD1 ASP A 12 -7.636 -0.559 -10.543 1.00 0.00 O ATOM 150 OD2 ASP A 12 -8.391 1.261 -9.562 1.00 0.00 O ATOM 0 H ASP A 12 -9.019 -2.521 -6.221 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.695 -2.417 -8.861 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.918 -1.374 -9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.501 -0.216 -7.869 1.00 0.00 H new ATOM 155 N LYS A 13 -6.152 -0.451 -7.929 1.00 0.00 N ATOM 156 CA LYS A 13 -4.956 0.181 -7.400 1.00 0.00 C ATOM 157 C LYS A 13 -5.006 1.697 -7.442 1.00 0.00 C ATOM 158 O LYS A 13 -4.022 2.300 -7.042 1.00 0.00 O ATOM 159 CB LYS A 13 -3.732 -0.378 -8.125 1.00 0.00 C ATOM 160 CG LYS A 13 -3.364 -1.804 -7.714 1.00 0.00 C ATOM 161 CD LYS A 13 -2.556 -2.029 -6.431 1.00 0.00 C ATOM 162 CE LYS A 13 -3.428 -2.020 -5.178 1.00 0.00 C ATOM 163 NZ LYS A 13 -2.642 -2.277 -3.954 1.00 0.00 N ATOM 0 H LYS A 13 -6.311 -0.231 -8.912 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.888 -0.062 -6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.917 -0.357 -9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.880 0.275 -7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.292 -2.368 -7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.803 -2.248 -8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.033 -2.983 -6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.795 -1.254 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.928 -1.055 -5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.207 -2.776 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.947 -1.626 -3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.793 -3.258 -3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.632 -2.128 -4.152 1.00 0.00 H new ATOM 177 N SER A 14 -6.110 2.324 -7.845 1.00 0.00 N ATOM 178 CA SER A 14 -6.146 3.779 -7.822 1.00 0.00 C ATOM 179 C SER A 14 -6.484 4.358 -6.436 1.00 0.00 C ATOM 180 O SER A 14 -6.138 5.507 -6.157 1.00 0.00 O ATOM 181 CB SER A 14 -7.108 4.267 -8.908 1.00 0.00 C ATOM 182 OG SER A 14 -8.411 3.748 -8.706 1.00 0.00 O ATOM 0 H SER A 14 -6.959 1.867 -8.178 1.00 0.00 H new ATOM 0 HA SER A 14 -5.143 4.150 -8.035 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.143 5.356 -8.905 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.740 3.963 -9.888 1.00 0.00 H new ATOM 0 HG SER A 14 -8.562 2.996 -9.316 1.00 0.00 H new ATOM 188 N LEU A 15 -7.161 3.595 -5.570 1.00 0.00 N ATOM 189 CA LEU A 15 -7.817 4.070 -4.348 1.00 0.00 C ATOM 190 C LEU A 15 -6.814 4.263 -3.191 1.00 0.00 C ATOM 191 O LEU A 15 -6.896 3.554 -2.192 1.00 0.00 O ATOM 192 CB LEU A 15 -8.939 3.086 -3.919 1.00 0.00 C ATOM 193 CG LEU A 15 -10.040 2.686 -4.922 1.00 0.00 C ATOM 194 CD1 LEU A 15 -10.613 3.857 -5.720 1.00 0.00 C ATOM 195 CD2 LEU A 15 -9.596 1.579 -5.885 1.00 0.00 C ATOM 0 H LEU A 15 -7.271 2.590 -5.708 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.255 5.043 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.455 2.168 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.434 3.518 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.838 2.301 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.381 3.491 -6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.051 4.584 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.816 4.332 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.413 1.340 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.733 1.919 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.326 0.689 -5.317 1.00 0.00 H new ATOM 207 N PHE A 16 -5.827 5.158 -3.314 1.00 0.00 N ATOM 208 CA PHE A 16 -4.773 5.314 -2.301 1.00 0.00 C ATOM 209 C PHE A 16 -4.377 6.771 -2.105 1.00 0.00 C ATOM 210 O PHE A 16 -4.293 7.238 -0.961 1.00 0.00 O ATOM 211 CB PHE A 16 -3.540 4.451 -2.643 1.00 0.00 C ATOM 212 CG PHE A 16 -3.867 2.981 -2.765 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.479 2.486 -3.928 1.00 0.00 C ATOM 214 CD2 PHE A 16 -3.738 2.159 -1.643 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.099 1.229 -3.917 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.300 0.873 -1.652 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.019 0.429 -2.774 1.00 0.00 C ATOM 0 H PHE A 16 -5.735 5.790 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.186 4.961 -1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.107 4.801 -3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.782 4.587 -1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.472 3.075 -4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.207 2.512 -0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.636 0.881 -4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.180 0.225 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.511 -0.532 -2.753 1.00 0.00 H new ATOM 227 N ALA A 17 -4.113 7.484 -3.204 1.00 0.00 N ATOM 228 CA ALA A 17 -3.733 8.887 -3.203 1.00 0.00 C ATOM 229 C ALA A 17 -4.953 9.775 -2.937 1.00 0.00 C ATOM 230 O ALA A 17 -5.364 10.561 -3.790 1.00 0.00 O ATOM 231 CB ALA A 17 -3.044 9.230 -4.533 1.00 0.00 C ATOM 0 H ALA A 17 -4.161 7.084 -4.141 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.024 9.076 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.758 10.282 -4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.154 8.612 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.730 9.040 -5.358 1.00 0.00 H new ATOM 237 N GLY A 18 -5.523 9.685 -1.738 1.00 0.00 N ATOM 238 CA GLY A 18 -6.566 10.589 -1.280 1.00 0.00 C ATOM 239 C GLY A 18 -6.692 10.656 0.238 1.00 0.00 C ATOM 240 O GLY A 18 -7.015 11.723 0.757 1.00 0.00 O ATOM 0 H GLY A 18 -5.269 8.974 -1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.363 11.589 -1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.520 10.273 -1.702 1.00 0.00 H new ATOM 244 N ASN A 19 -6.461 9.555 0.967 1.00 0.00 N ATOM 245 CA ASN A 19 -6.814 9.517 2.391 1.00 0.00 C ATOM 246 C ASN A 19 -5.635 9.875 3.289 1.00 0.00 C ATOM 247 O ASN A 19 -4.989 8.998 3.853 1.00 0.00 O ATOM 248 CB ASN A 19 -7.430 8.180 2.817 1.00 0.00 C ATOM 249 CG ASN A 19 -8.137 8.390 4.156 1.00 0.00 C ATOM 250 OD1 ASN A 19 -8.887 9.348 4.314 1.00 0.00 O ATOM 251 ND2 ASN A 19 -7.922 7.540 5.140 1.00 0.00 N ATOM 0 H ASN A 19 -6.042 8.699 0.605 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.579 10.282 2.520 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.136 7.829 2.064 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.657 7.417 2.910 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.381 7.676 6.041 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.297 6.746 5.001 1.00 0.00 H new ATOM 258 N THR A 20 -5.366 11.164 3.440 1.00 0.00 N ATOM 259 CA THR A 20 -4.196 11.842 4.021 1.00 0.00 C ATOM 260 C THR A 20 -3.914 11.572 5.523 1.00 0.00 C ATOM 261 O THR A 20 -3.312 12.396 6.224 1.00 0.00 O ATOM 262 CB THR A 20 -4.409 13.344 3.739 1.00 0.00 C ATOM 263 OG1 THR A 20 -5.718 13.765 4.089 1.00 0.00 O ATOM 264 CG2 THR A 20 -4.248 13.644 2.248 1.00 0.00 C ATOM 0 H THR A 20 -6.045 11.854 3.119 1.00 0.00 H new ATOM 0 HA THR A 20 -3.298 11.437 3.554 1.00 0.00 H new ATOM 0 HB THR A 20 -3.665 13.870 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.816 14.721 3.898 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.402 14.709 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.244 13.365 1.927 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.982 13.072 1.680 1.00 0.00 H new ATOM 272 N VAL A 21 -4.381 10.442 6.045 1.00 0.00 N ATOM 273 CA VAL A 21 -4.329 9.993 7.426 1.00 0.00 C ATOM 274 C VAL A 21 -4.009 8.492 7.504 1.00 0.00 C ATOM 275 O VAL A 21 -3.653 8.020 8.581 1.00 0.00 O ATOM 276 CB VAL A 21 -5.667 10.355 8.096 1.00 0.00 C ATOM 277 CG1 VAL A 21 -6.845 9.565 7.520 1.00 0.00 C ATOM 278 CG2 VAL A 21 -5.636 10.203 9.615 1.00 0.00 C ATOM 0 H VAL A 21 -4.849 9.755 5.453 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.523 10.493 7.963 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.816 11.411 7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.763 9.859 8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.937 9.774 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.675 8.499 7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.608 10.473 10.028 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.407 9.169 9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.871 10.858 10.031 1.00 0.00 H new ATOM 288 N ILE A 22 -4.111 7.739 6.397 1.00 0.00 N ATOM 289 CA ILE A 22 -3.948 6.292 6.379 1.00 0.00 C ATOM 290 C ILE A 22 -2.529 5.917 6.814 1.00 0.00 C ATOM 291 O ILE A 22 -1.580 5.980 6.032 1.00 0.00 O ATOM 292 CB ILE A 22 -4.403 5.695 5.025 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.327 4.162 5.081 1.00 0.00 C ATOM 294 CG2 ILE A 22 -3.645 6.198 3.785 1.00 0.00 C ATOM 295 CD1 ILE A 22 -4.880 3.487 3.824 1.00 0.00 C ATOM 0 H ILE A 22 -4.313 8.134 5.478 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.609 5.831 7.113 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.427 6.045 4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.289 3.861 5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.882 3.808 5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.045 5.715 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.766 7.278 3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.586 5.958 3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.798 2.405 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.927 3.761 3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.310 3.814 2.955 1.00 0.00 H new ATOM 307 N ARG A 23 -2.388 5.532 8.083 1.00 0.00 N ATOM 308 CA ARG A 23 -1.134 5.053 8.653 1.00 0.00 C ATOM 309 C ARG A 23 -0.882 3.596 8.312 1.00 0.00 C ATOM 310 O ARG A 23 0.173 3.085 8.690 1.00 0.00 O ATOM 311 CB ARG A 23 -1.116 5.278 10.176 1.00 0.00 C ATOM 312 CG ARG A 23 -1.302 6.762 10.527 1.00 0.00 C ATOM 313 CD ARG A 23 -0.580 7.172 11.823 1.00 0.00 C ATOM 314 NE ARG A 23 0.556 8.069 11.547 1.00 0.00 N ATOM 315 CZ ARG A 23 0.470 9.354 11.177 1.00 0.00 C ATOM 316 NH1 ARG A 23 -0.711 9.970 11.218 1.00 0.00 N ATOM 317 NH2 ARG A 23 1.550 10.012 10.768 1.00 0.00 N ATOM 0 H ARG A 23 -3.157 5.546 8.753 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.323 5.630 8.209 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.908 4.691 10.641 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.171 4.921 10.587 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.932 7.373 9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.366 6.974 10.628 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.283 7.669 12.491 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.224 6.281 12.340 1.00 0.00 H new ATOM 0 HE ARG A 23 1.492 7.676 11.647 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.540 9.463 11.529 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.786 10.948 10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.453 9.539 10.734 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.476 10.990 10.488 1.00 0.00 H new ATOM 331 N GLU A 24 -1.815 2.917 7.642 1.00 0.00 N ATOM 332 CA GLU A 24 -1.702 1.493 7.410 1.00 0.00 C ATOM 333 C GLU A 24 -2.427 1.060 6.155 1.00 0.00 C ATOM 334 O GLU A 24 -3.584 1.426 5.961 1.00 0.00 O ATOM 335 CB GLU A 24 -2.289 0.729 8.600 1.00 0.00 C ATOM 336 CG GLU A 24 -1.187 -0.133 9.189 1.00 0.00 C ATOM 337 CD GLU A 24 -1.716 -1.067 10.269 1.00 0.00 C ATOM 338 OE1 GLU A 24 -2.627 -1.882 9.992 1.00 0.00 O ATOM 339 OE2 GLU A 24 -1.235 -0.959 11.417 1.00 0.00 O ATOM 0 H GLU A 24 -2.657 3.341 7.253 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.642 1.269 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.672 1.423 9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.128 0.111 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.722 -0.720 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.411 0.506 9.610 1.00 0.00 H new ATOM 346 N ILE A 25 -1.772 0.238 5.342 1.00 0.00 N ATOM 347 CA ILE A 25 -2.370 -0.375 4.160 1.00 0.00 C ATOM 348 C ILE A 25 -1.956 -1.841 4.156 1.00 0.00 C ATOM 349 O ILE A 25 -0.787 -2.154 3.944 1.00 0.00 O ATOM 350 CB ILE A 25 -1.977 0.338 2.839 1.00 0.00 C ATOM 351 CG1 ILE A 25 -1.717 1.851 3.007 1.00 0.00 C ATOM 352 CG2 ILE A 25 -3.050 0.023 1.783 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.808 2.712 1.745 1.00 0.00 C ATOM 0 H ILE A 25 -0.797 -0.025 5.487 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.455 -0.279 4.211 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.015 -0.050 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.429 2.239 3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.723 1.979 3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.793 0.515 0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.100 -1.054 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.018 0.385 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.605 3.752 1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.075 2.367 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.809 2.631 1.321 1.00 0.00 H new ATOM 365 N THR A 26 -2.879 -2.750 4.422 1.00 0.00 N ATOM 366 CA THR A 26 -2.660 -4.166 4.164 1.00 0.00 C ATOM 367 C THR A 26 -2.921 -4.417 2.666 1.00 0.00 C ATOM 368 O THR A 26 -3.780 -3.773 2.058 1.00 0.00 O ATOM 369 CB THR A 26 -3.570 -4.997 5.080 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.372 -4.603 6.427 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.240 -6.488 4.977 1.00 0.00 C ATOM 0 H THR A 26 -3.793 -2.532 4.819 1.00 0.00 H new ATOM 0 HA THR A 26 -1.636 -4.467 4.386 1.00 0.00 H new ATOM 0 HB THR A 26 -4.601 -4.828 4.768 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.954 -5.132 7.012 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.899 -7.053 5.636 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.381 -6.822 3.949 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.204 -6.653 5.273 1.00 0.00 H new ATOM 379 N VAL A 27 -2.195 -5.352 2.044 1.00 0.00 N ATOM 380 CA VAL A 27 -2.310 -5.692 0.626 1.00 0.00 C ATOM 381 C VAL A 27 -2.205 -7.209 0.517 1.00 0.00 C ATOM 382 O VAL A 27 -1.156 -7.775 0.839 1.00 0.00 O ATOM 383 CB VAL A 27 -1.196 -4.991 -0.194 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.449 -5.021 -1.708 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.995 -3.521 0.191 1.00 0.00 C ATOM 0 H VAL A 27 -1.491 -5.908 2.530 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.262 -5.350 0.220 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.305 -5.569 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.633 -4.514 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.505 -6.055 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.388 -4.515 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.202 -3.090 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.921 -2.971 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.719 -3.455 1.243 1.00 0.00 H new ATOM 395 N GLN A 28 -3.270 -7.885 0.084 1.00 0.00 N ATOM 396 CA GLN A 28 -3.173 -9.307 -0.239 1.00 0.00 C ATOM 397 C GLN A 28 -2.270 -9.511 -1.458 1.00 0.00 C ATOM 398 O GLN A 28 -1.954 -8.544 -2.150 1.00 0.00 O ATOM 399 CB GLN A 28 -4.577 -9.910 -0.427 1.00 0.00 C ATOM 400 CG GLN A 28 -5.412 -9.876 0.868 1.00 0.00 C ATOM 401 CD GLN A 28 -6.396 -8.715 0.880 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.223 -8.608 -0.023 1.00 0.00 O ATOM 403 NE2 GLN A 28 -6.292 -7.785 1.811 1.00 0.00 N ATOM 0 H GLN A 28 -4.196 -7.478 -0.049 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.711 -9.840 0.591 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.103 -9.362 -1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.483 -10.941 -0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.957 -10.814 0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.746 -9.796 1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.602 -7.884 2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.901 -6.967 1.786 1.00 0.00 H new ATOM 412 N PRO A 29 -1.799 -10.736 -1.718 1.00 0.00 N ATOM 413 CA PRO A 29 -1.052 -11.029 -2.929 1.00 0.00 C ATOM 414 C PRO A 29 -1.944 -10.890 -4.167 1.00 0.00 C ATOM 415 O PRO A 29 -3.175 -10.916 -4.081 1.00 0.00 O ATOM 416 CB PRO A 29 -0.506 -12.445 -2.736 1.00 0.00 C ATOM 417 CG PRO A 29 -1.444 -13.069 -1.703 1.00 0.00 C ATOM 418 CD PRO A 29 -1.829 -11.887 -0.835 1.00 0.00 C ATOM 0 HA PRO A 29 -0.234 -10.329 -3.097 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.513 -13.006 -3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.524 -12.430 -2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.315 -13.526 -2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.947 -13.849 -1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.820 -12.024 -0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.132 -11.765 -0.006 1.00 0.00 H new ATOM 426 N ASN A 30 -1.284 -10.775 -5.320 1.00 0.00 N ATOM 427 CA ASN A 30 -1.819 -10.837 -6.675 1.00 0.00 C ATOM 428 C ASN A 30 -3.106 -10.023 -6.840 1.00 0.00 C ATOM 429 O ASN A 30 -4.143 -10.541 -7.261 1.00 0.00 O ATOM 430 CB ASN A 30 -1.926 -12.293 -7.146 1.00 0.00 C ATOM 431 CG ASN A 30 -0.552 -12.953 -7.205 1.00 0.00 C ATOM 432 OD1 ASN A 30 0.298 -12.558 -8.003 1.00 0.00 O ATOM 433 ND2 ASN A 30 -0.300 -13.964 -6.400 1.00 0.00 N ATOM 0 H ASN A 30 -0.275 -10.623 -5.327 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.112 -10.348 -7.345 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.572 -12.851 -6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.392 -12.327 -8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.607 -14.429 -6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.012 -14.282 -5.743 1.00 0.00 H new ATOM 440 N ILE A 31 -3.040 -8.730 -6.519 1.00 0.00 N ATOM 441 CA ILE A 31 -4.168 -7.800 -6.532 1.00 0.00 C ATOM 442 C ILE A 31 -3.679 -6.410 -6.981 1.00 0.00 C ATOM 443 O ILE A 31 -3.550 -5.440 -6.226 1.00 0.00 O ATOM 444 CB ILE A 31 -4.940 -7.879 -5.208 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.221 -7.028 -5.312 1.00 0.00 C ATOM 446 CG2 ILE A 31 -4.045 -7.528 -4.016 1.00 0.00 C ATOM 447 CD1 ILE A 31 -7.304 -7.545 -4.369 1.00 0.00 C ATOM 0 H ILE A 31 -2.167 -8.286 -6.233 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.918 -8.075 -7.274 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.256 -8.905 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.992 -5.990 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.590 -7.045 -6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.624 -7.594 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.209 -8.226 -3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.664 -6.513 -4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.196 -6.925 -4.464 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.549 -8.575 -4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.942 -7.504 -3.342 1.00 0.00 H new ATOM 459 N GLY A 32 -3.366 -6.366 -8.267 1.00 0.00 N ATOM 460 CA GLY A 32 -3.101 -5.182 -9.060 1.00 0.00 C ATOM 461 C GLY A 32 -1.623 -4.813 -9.077 1.00 0.00 C ATOM 462 O GLY A 32 -0.803 -5.382 -8.350 1.00 0.00 O ATOM 0 H GLY A 32 -3.286 -7.219 -8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.443 -5.348 -10.082 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.677 -4.346 -8.663 1.00 0.00 H new ATOM 466 N LEU A 33 -1.275 -3.856 -9.932 1.00 0.00 N ATOM 467 CA LEU A 33 0.075 -3.319 -10.081 1.00 0.00 C ATOM 468 C LEU A 33 0.340 -2.233 -9.041 1.00 0.00 C ATOM 469 O LEU A 33 -0.473 -1.335 -8.846 1.00 0.00 O ATOM 470 CB LEU A 33 0.216 -2.761 -11.505 1.00 0.00 C ATOM 471 CG LEU A 33 1.567 -2.122 -11.868 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.735 -3.105 -11.760 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.498 -1.594 -13.302 1.00 0.00 C ATOM 0 H LEU A 33 -1.947 -3.418 -10.562 1.00 0.00 H new ATOM 0 HA LEU A 33 0.810 -4.108 -9.920 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.023 -3.571 -12.208 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.564 -2.015 -11.657 1.00 0.00 H new ATOM 0 HG LEU A 33 1.748 -1.317 -11.156 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.662 -2.599 -12.028 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.806 -3.475 -10.737 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.570 -3.942 -12.438 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.452 -1.139 -13.568 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.286 -2.418 -13.983 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.707 -0.848 -13.377 1.00 0.00 H new ATOM 485 N LEU A 34 1.493 -2.292 -8.386 1.00 0.00 N ATOM 486 CA LEU A 34 2.083 -1.142 -7.714 1.00 0.00 C ATOM 487 C LEU A 34 2.849 -0.399 -8.805 1.00 0.00 C ATOM 488 O LEU A 34 3.670 -1.029 -9.464 1.00 0.00 O ATOM 489 CB LEU A 34 3.008 -1.643 -6.589 1.00 0.00 C ATOM 490 CG LEU A 34 2.206 -2.134 -5.369 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.990 -3.110 -4.485 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.799 -0.951 -4.491 1.00 0.00 C ATOM 0 H LEU A 34 2.048 -3.144 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 34 1.351 -0.483 -7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.632 -2.454 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.679 -0.840 -6.284 1.00 0.00 H new ATOM 0 HG LEU A 34 1.337 -2.651 -5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.369 -3.418 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.269 -3.986 -5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.890 -2.621 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.233 -1.313 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.692 -0.431 -4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.181 -0.264 -5.070 1.00 0.00 H new ATOM 504 N TYR A 35 2.538 0.872 -9.050 1.00 0.00 N ATOM 505 CA TYR A 35 3.154 1.698 -10.091 1.00 0.00 C ATOM 506 C TYR A 35 3.680 2.996 -9.465 1.00 0.00 C ATOM 507 O TYR A 35 3.518 3.222 -8.262 1.00 0.00 O ATOM 508 CB TYR A 35 2.175 1.914 -11.265 1.00 0.00 C ATOM 509 CG TYR A 35 0.776 2.386 -10.908 1.00 0.00 C ATOM 510 CD1 TYR A 35 -0.218 1.458 -10.553 1.00 0.00 C ATOM 511 CD2 TYR A 35 0.453 3.753 -10.966 1.00 0.00 C ATOM 512 CE1 TYR A 35 -1.511 1.895 -10.220 1.00 0.00 C ATOM 513 CE2 TYR A 35 -0.833 4.202 -10.623 1.00 0.00 C ATOM 514 CZ TYR A 35 -1.825 3.272 -10.239 1.00 0.00 C ATOM 515 OH TYR A 35 -3.078 3.688 -9.914 1.00 0.00 O ATOM 0 H TYR A 35 1.829 1.373 -8.514 1.00 0.00 H new ATOM 0 HA TYR A 35 4.014 1.188 -10.524 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.616 2.641 -11.947 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.088 0.976 -11.813 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.013 0.403 -10.536 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.202 4.466 -11.278 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.268 1.175 -9.948 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.063 5.257 -10.653 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.363 3.251 -9.085 1.00 0.00 H new ATOM 525 N ASP A 36 4.356 3.837 -10.242 1.00 0.00 N ATOM 526 CA ASP A 36 4.843 5.139 -9.799 1.00 0.00 C ATOM 527 C ASP A 36 3.669 6.053 -9.455 1.00 0.00 C ATOM 528 O ASP A 36 2.558 5.874 -9.946 1.00 0.00 O ATOM 529 CB ASP A 36 5.710 5.787 -10.888 1.00 0.00 C ATOM 530 CG ASP A 36 4.878 6.084 -12.138 1.00 0.00 C ATOM 531 OD1 ASP A 36 4.523 5.111 -12.835 1.00 0.00 O ATOM 532 OD2 ASP A 36 4.548 7.263 -12.421 1.00 0.00 O ATOM 0 H ASP A 36 4.585 3.629 -11.214 1.00 0.00 H new ATOM 0 HA ASP A 36 5.452 4.994 -8.907 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.148 6.710 -10.509 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.536 5.124 -11.144 1.00 0.00 H new ATOM 537 N GLY A 37 3.907 7.047 -8.607 1.00 0.00 N ATOM 538 CA GLY A 37 2.970 8.095 -8.202 1.00 0.00 C ATOM 539 C GLY A 37 1.731 7.608 -7.439 1.00 0.00 C ATOM 540 O GLY A 37 0.907 8.429 -7.041 1.00 0.00 O ATOM 0 H GLY A 37 4.815 7.151 -8.154 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.502 8.813 -7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.641 8.629 -9.093 1.00 0.00 H new ATOM 544 N MET A 38 1.578 6.300 -7.217 1.00 0.00 N ATOM 545 CA MET A 38 0.407 5.661 -6.621 1.00 0.00 C ATOM 546 C MET A 38 0.059 6.235 -5.241 1.00 0.00 C ATOM 547 O MET A 38 -1.104 6.283 -4.848 1.00 0.00 O ATOM 548 CB MET A 38 0.717 4.158 -6.550 1.00 0.00 C ATOM 549 CG MET A 38 -0.489 3.275 -6.766 1.00 0.00 C ATOM 550 SD MET A 38 -1.524 3.024 -5.312 1.00 0.00 S ATOM 551 CE MET A 38 -1.558 1.219 -5.290 1.00 0.00 C ATOM 0 H MET A 38 2.304 5.627 -7.461 1.00 0.00 H new ATOM 0 HA MET A 38 -0.476 5.851 -7.232 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.471 3.916 -7.299 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.151 3.932 -5.576 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.100 3.709 -7.557 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.149 2.303 -7.123 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.501 0.868 -5.710 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.730 0.832 -5.884 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.464 0.866 -4.263 1.00 0.00 H new ATOM 561 N PHE A 39 1.078 6.708 -4.523 1.00 0.00 N ATOM 562 CA PHE A 39 0.966 7.242 -3.167 1.00 0.00 C ATOM 563 C PHE A 39 1.193 8.755 -3.089 1.00 0.00 C ATOM 564 O PHE A 39 1.479 9.263 -2.007 1.00 0.00 O ATOM 565 CB PHE A 39 1.882 6.443 -2.220 1.00 0.00 C ATOM 566 CG PHE A 39 1.682 4.950 -2.358 1.00 0.00 C ATOM 567 CD1 PHE A 39 0.399 4.408 -2.151 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.728 4.128 -2.818 1.00 0.00 C ATOM 569 CE1 PHE A 39 0.146 3.059 -2.438 1.00 0.00 C ATOM 570 CE2 PHE A 39 2.479 2.771 -3.079 1.00 0.00 C ATOM 571 CZ PHE A 39 1.185 2.244 -2.919 1.00 0.00 C ATOM 0 H PHE A 39 2.033 6.730 -4.881 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.065 7.111 -2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.923 6.690 -2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.685 6.741 -1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.394 5.034 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.716 4.538 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.842 2.649 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.285 2.129 -3.404 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.989 1.211 -3.166 1.00 0.00 H new ATOM 581 N SER A 40 1.091 9.484 -4.204 1.00 0.00 N ATOM 582 CA SER A 40 1.347 10.920 -4.261 1.00 0.00 C ATOM 583 C SER A 40 0.460 11.690 -3.277 1.00 0.00 C ATOM 584 O SER A 40 -0.746 11.857 -3.487 1.00 0.00 O ATOM 585 CB SER A 40 1.261 11.403 -5.709 1.00 0.00 C ATOM 586 OG SER A 40 2.068 12.545 -5.916 1.00 0.00 O ATOM 0 H SER A 40 0.824 9.084 -5.104 1.00 0.00 H new ATOM 0 HA SER A 40 2.364 11.127 -3.927 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.577 10.605 -6.381 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.225 11.637 -5.956 1.00 0.00 H new ATOM 0 HG SER A 40 1.996 12.832 -6.850 1.00 0.00 H new ATOM 592 N GLY A 41 1.072 12.145 -2.182 1.00 0.00 N ATOM 593 CA GLY A 41 0.423 12.946 -1.163 1.00 0.00 C ATOM 594 C GLY A 41 -0.259 12.110 -0.090 1.00 0.00 C ATOM 595 O GLY A 41 -1.198 12.604 0.535 1.00 0.00 O ATOM 0 H GLY A 41 2.055 11.958 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.163 13.595 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.316 13.594 -1.635 1.00 0.00 H new ATOM 599 N CYS A 42 0.149 10.854 0.133 1.00 0.00 N ATOM 600 CA CYS A 42 -0.208 10.115 1.346 1.00 0.00 C ATOM 601 C CYS A 42 0.579 10.689 2.538 1.00 0.00 C ATOM 602 O CYS A 42 1.567 10.112 3.001 1.00 0.00 O ATOM 603 CB CYS A 42 0.052 8.611 1.165 1.00 0.00 C ATOM 604 SG CYS A 42 -0.854 7.920 -0.250 1.00 0.00 S ATOM 0 H CYS A 42 0.731 10.327 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.274 10.232 1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.120 8.443 1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.239 8.082 2.073 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.594 6.650 -0.354 1.00 0.00 H new ATOM 610 N THR A 43 0.141 11.839 3.039 1.00 0.00 N ATOM 611 CA THR A 43 0.765 12.661 4.072 1.00 0.00 C ATOM 612 C THR A 43 0.688 12.059 5.496 1.00 0.00 C ATOM 613 O THR A 43 0.895 12.784 6.477 1.00 0.00 O ATOM 614 CB THR A 43 0.147 14.075 3.959 1.00 0.00 C ATOM 615 OG1 THR A 43 -1.251 13.974 3.763 1.00 0.00 O ATOM 616 CG2 THR A 43 0.733 14.836 2.763 1.00 0.00 C ATOM 0 H THR A 43 -0.729 12.254 2.707 1.00 0.00 H new ATOM 0 HA THR A 43 1.840 12.708 3.901 1.00 0.00 H new ATOM 0 HB THR A 43 0.372 14.609 4.882 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.637 14.872 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.282 15.827 2.706 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.811 14.935 2.888 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.522 14.288 1.845 1.00 0.00 H new ATOM 624 N ALA A 44 0.378 10.764 5.654 1.00 0.00 N ATOM 625 CA ALA A 44 0.446 10.062 6.937 1.00 0.00 C ATOM 626 C ALA A 44 0.988 8.626 6.860 1.00 0.00 C ATOM 627 O ALA A 44 0.959 7.924 7.873 1.00 0.00 O ATOM 628 CB ALA A 44 -0.951 10.073 7.549 1.00 0.00 C ATOM 0 H ALA A 44 0.070 10.171 4.884 1.00 0.00 H new ATOM 0 HA ALA A 44 1.168 10.592 7.559 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.932 9.556 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.275 11.103 7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.646 9.568 6.878 1.00 0.00 H new ATOM 634 N LEU A 45 1.433 8.154 5.690 1.00 0.00 N ATOM 635 CA LEU A 45 1.751 6.740 5.501 1.00 0.00 C ATOM 636 C LEU A 45 2.979 6.354 6.311 1.00 0.00 C ATOM 637 O LEU A 45 4.065 6.891 6.082 1.00 0.00 O ATOM 638 CB LEU A 45 1.933 6.387 4.010 1.00 0.00 C ATOM 639 CG LEU A 45 1.336 5.015 3.633 1.00 0.00 C ATOM 640 CD1 LEU A 45 1.027 4.955 2.127 1.00 0.00 C ATOM 641 CD2 LEU A 45 1.680 3.658 4.245 1.00 0.00 C ATOM 0 H LEU A 45 1.580 8.732 4.863 1.00 0.00 H new ATOM 0 HA LEU A 45 0.904 6.159 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.464 7.160 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.996 6.392 3.769 1.00 0.00 H new ATOM 0 HG LEU A 45 0.492 5.093 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.607 3.980 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.309 5.735 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.946 5.108 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.087 2.881 3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.740 3.450 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.459 3.674 5.312 1.00 0.00 H new ATOM 653 N GLU A 46 2.827 5.406 7.231 1.00 0.00 N ATOM 654 CA GLU A 46 3.943 4.811 7.944 1.00 0.00 C ATOM 655 C GLU A 46 4.005 3.295 7.763 1.00 0.00 C ATOM 656 O GLU A 46 5.111 2.802 7.593 1.00 0.00 O ATOM 657 CB GLU A 46 3.989 5.283 9.395 1.00 0.00 C ATOM 658 CG GLU A 46 2.732 4.953 10.185 1.00 0.00 C ATOM 659 CD GLU A 46 2.936 5.309 11.654 1.00 0.00 C ATOM 660 OE1 GLU A 46 2.858 6.511 11.991 1.00 0.00 O ATOM 661 OE2 GLU A 46 3.169 4.381 12.466 1.00 0.00 O ATOM 0 H GLU A 46 1.918 5.029 7.501 1.00 0.00 H new ATOM 0 HA GLU A 46 4.867 5.173 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.848 4.828 9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.146 6.362 9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.883 5.505 9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.498 3.893 10.087 1.00 0.00 H new ATOM 668 N LYS A 47 2.896 2.543 7.669 1.00 0.00 N ATOM 669 CA LYS A 47 2.964 1.091 7.451 1.00 0.00 C ATOM 670 C LYS A 47 2.252 0.642 6.185 1.00 0.00 C ATOM 671 O LYS A 47 1.141 1.065 5.878 1.00 0.00 O ATOM 672 CB LYS A 47 2.389 0.330 8.653 1.00 0.00 C ATOM 673 CG LYS A 47 3.441 -0.030 9.710 1.00 0.00 C ATOM 674 CD LYS A 47 3.018 -1.314 10.437 1.00 0.00 C ATOM 675 CE LYS A 47 4.118 -1.773 11.396 1.00 0.00 C ATOM 676 NZ LYS A 47 3.977 -1.175 12.735 1.00 0.00 N ATOM 0 H LYS A 47 1.949 2.914 7.740 1.00 0.00 H new ATOM 0 HA LYS A 47 4.022 0.857 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.611 0.936 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.913 -0.585 8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.413 -0.170 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.548 0.786 10.424 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.095 -1.139 10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.810 -2.099 9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.093 -2.859 11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.091 -1.508 10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.918 -1.041 13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.499 -0.255 12.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.414 -1.806 13.340 1.00 0.00 H new ATOM 690 N LEU A 48 2.858 -0.334 5.521 1.00 0.00 N ATOM 691 CA LEU A 48 2.290 -1.218 4.519 1.00 0.00 C ATOM 692 C LEU A 48 2.457 -2.615 5.102 1.00 0.00 C ATOM 693 O LEU A 48 3.518 -2.898 5.655 1.00 0.00 O ATOM 694 CB LEU A 48 3.096 -1.060 3.215 1.00 0.00 C ATOM 695 CG LEU A 48 2.645 -1.960 2.047 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.405 -1.379 1.377 1.00 0.00 C ATOM 697 CD2 LEU A 48 3.717 -2.059 0.956 1.00 0.00 C ATOM 0 H LEU A 48 3.843 -0.542 5.686 1.00 0.00 H new ATOM 0 HA LEU A 48 1.246 -1.008 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.036 -0.020 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.145 -1.268 3.428 1.00 0.00 H new ATOM 0 HG LEU A 48 2.450 -2.943 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.099 -2.026 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.597 -1.310 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.632 -0.385 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.359 -2.702 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.926 -1.065 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.629 -2.480 1.379 1.00 0.00 H new ATOM 709 N ILE A 49 1.469 -3.493 4.974 1.00 0.00 N ATOM 710 CA ILE A 49 1.579 -4.904 5.325 1.00 0.00 C ATOM 711 C ILE A 49 1.227 -5.681 4.064 1.00 0.00 C ATOM 712 O ILE A 49 0.333 -5.287 3.310 1.00 0.00 O ATOM 713 CB ILE A 49 0.695 -5.280 6.542 1.00 0.00 C ATOM 714 CG1 ILE A 49 0.983 -4.391 7.771 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.928 -6.749 6.965 1.00 0.00 C ATOM 716 CD1 ILE A 49 -0.016 -3.253 7.951 1.00 0.00 C ATOM 0 H ILE A 49 0.549 -3.238 4.615 1.00 0.00 H new ATOM 0 HA ILE A 49 2.589 -5.151 5.652 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.335 -5.131 6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.978 -5.012 8.667 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.985 -3.972 7.679 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.296 -6.986 7.821 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.679 -7.410 6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.974 -6.888 7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.250 -2.672 8.834 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.005 -2.608 7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.018 -3.664 8.076 1.00 0.00 H new ATOM 728 N LEU A 50 1.944 -6.767 3.811 1.00 0.00 N ATOM 729 CA LEU A 50 1.708 -7.687 2.715 1.00 0.00 C ATOM 730 C LEU A 50 1.320 -9.023 3.347 1.00 0.00 C ATOM 731 O LEU A 50 1.756 -9.302 4.464 1.00 0.00 O ATOM 732 CB LEU A 50 2.992 -7.807 1.879 1.00 0.00 C ATOM 733 CG LEU A 50 3.561 -6.496 1.301 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.730 -6.791 0.355 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.530 -5.696 0.504 1.00 0.00 C ATOM 0 H LEU A 50 2.738 -7.039 4.390 1.00 0.00 H new ATOM 0 HA LEU A 50 0.915 -7.348 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.761 -8.269 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.798 -8.489 1.051 1.00 0.00 H new ATOM 0 HG LEU A 50 3.878 -5.909 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.120 -5.855 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.518 -7.309 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.384 -7.419 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.992 -4.785 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.170 -6.297 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.692 -5.436 1.151 1.00 0.00 H new ATOM 747 N THR A 51 0.520 -9.838 2.657 1.00 0.00 N ATOM 748 CA THR A 51 -0.019 -11.087 3.196 1.00 0.00 C ATOM 749 C THR A 51 0.422 -12.315 2.382 1.00 0.00 C ATOM 750 O THR A 51 -0.078 -13.411 2.626 1.00 0.00 O ATOM 751 CB THR A 51 -1.546 -10.997 3.461 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.345 -11.377 2.356 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.028 -9.598 3.877 1.00 0.00 C ATOM 0 H THR A 51 0.226 -9.647 1.699 1.00 0.00 H new ATOM 0 HA THR A 51 0.425 -11.240 4.179 1.00 0.00 H new ATOM 0 HB THR A 51 -1.673 -11.702 4.283 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.292 -11.298 2.595 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.105 -9.619 4.043 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.525 -9.298 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.797 -8.884 3.087 1.00 0.00 H new ATOM 761 N GLY A 52 1.294 -12.150 1.382 1.00 0.00 N ATOM 762 CA GLY A 52 1.715 -13.233 0.489 1.00 0.00 C ATOM 763 C GLY A 52 2.989 -13.913 0.983 1.00 0.00 C ATOM 764 O GLY A 52 3.672 -13.388 1.866 1.00 0.00 O ATOM 0 H GLY A 52 1.731 -11.253 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.916 -13.971 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.880 -12.835 -0.512 1.00 0.00 H new ATOM 768 N GLU A 53 3.348 -15.052 0.385 1.00 0.00 N ATOM 769 CA GLU A 53 4.445 -15.893 0.871 1.00 0.00 C ATOM 770 C GLU A 53 5.511 -16.161 -0.200 1.00 0.00 C ATOM 771 O GLU A 53 6.323 -17.067 -0.031 1.00 0.00 O ATOM 772 CB GLU A 53 3.911 -17.199 1.483 1.00 0.00 C ATOM 773 CG GLU A 53 2.934 -16.996 2.658 1.00 0.00 C ATOM 774 CD GLU A 53 1.574 -17.648 2.404 1.00 0.00 C ATOM 775 OE1 GLU A 53 1.012 -17.460 1.302 1.00 0.00 O ATOM 776 OE2 GLU A 53 1.085 -18.377 3.304 1.00 0.00 O ATOM 0 H GLU A 53 2.887 -15.417 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 53 4.946 -15.331 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.410 -17.773 0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.755 -17.797 1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.370 -17.413 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.796 -15.929 2.832 1.00 0.00 H new ATOM 783 N ASP A 54 5.550 -15.409 -1.303 1.00 0.00 N ATOM 784 CA ASP A 54 6.728 -15.368 -2.186 1.00 0.00 C ATOM 785 C ASP A 54 6.832 -13.967 -2.799 1.00 0.00 C ATOM 786 O ASP A 54 5.811 -13.284 -2.910 1.00 0.00 O ATOM 787 CB ASP A 54 6.651 -16.433 -3.300 1.00 0.00 C ATOM 788 CG ASP A 54 7.796 -17.460 -3.319 1.00 0.00 C ATOM 789 OD1 ASP A 54 8.832 -17.310 -2.623 1.00 0.00 O ATOM 790 OD2 ASP A 54 7.661 -18.457 -4.065 1.00 0.00 O ATOM 0 H ASP A 54 4.778 -14.817 -1.610 1.00 0.00 H new ATOM 0 HA ASP A 54 7.615 -15.590 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.707 -16.970 -3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.628 -15.924 -4.264 1.00 0.00 H new ATOM 795 N PRO A 55 8.034 -13.499 -3.166 1.00 0.00 N ATOM 796 CA PRO A 55 8.264 -12.188 -3.758 1.00 0.00 C ATOM 797 C PRO A 55 7.898 -12.105 -5.248 1.00 0.00 C ATOM 798 O PRO A 55 8.011 -11.021 -5.825 1.00 0.00 O ATOM 799 CB PRO A 55 9.735 -11.844 -3.525 1.00 0.00 C ATOM 800 CG PRO A 55 10.402 -13.197 -3.287 1.00 0.00 C ATOM 801 CD PRO A 55 9.297 -14.142 -2.855 1.00 0.00 C ATOM 0 HA PRO A 55 7.604 -11.465 -3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.166 -11.333 -4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.859 -11.183 -2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.889 -13.556 -4.194 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.172 -13.122 -2.520 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.381 -15.096 -3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.368 -14.354 -1.788 1.00 0.00 H new ATOM 809 N SER A 56 7.481 -13.196 -5.891 1.00 0.00 N ATOM 810 CA SER A 56 6.756 -13.116 -7.164 1.00 0.00 C ATOM 811 C SER A 56 5.227 -13.065 -6.970 1.00 0.00 C ATOM 812 O SER A 56 4.498 -13.345 -7.922 1.00 0.00 O ATOM 813 CB SER A 56 7.184 -14.261 -8.089 1.00 0.00 C ATOM 814 OG SER A 56 8.595 -14.281 -8.214 1.00 0.00 O ATOM 0 H SER A 56 7.632 -14.147 -5.553 1.00 0.00 H new ATOM 0 HA SER A 56 7.023 -12.174 -7.642 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.832 -15.213 -7.690 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.725 -14.138 -9.070 1.00 0.00 H new ATOM 0 HG SER A 56 8.861 -15.016 -8.805 1.00 0.00 H new ATOM 820 N ALA A 57 4.709 -12.801 -5.761 1.00 0.00 N ATOM 821 CA ALA A 57 3.268 -12.695 -5.512 1.00 0.00 C ATOM 822 C ALA A 57 2.725 -11.260 -5.649 1.00 0.00 C ATOM 823 O ALA A 57 1.516 -11.059 -5.539 1.00 0.00 O ATOM 824 CB ALA A 57 2.938 -13.269 -4.131 1.00 0.00 C ATOM 0 H ALA A 57 5.280 -12.655 -4.929 1.00 0.00 H new ATOM 0 HA ALA A 57 2.769 -13.278 -6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.866 -13.188 -3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.235 -14.317 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.478 -12.711 -3.366 1.00 0.00 H new ATOM 830 N TYR A 58 3.586 -10.269 -5.878 1.00 0.00 N ATOM 831 CA TYR A 58 3.247 -8.858 -6.039 1.00 0.00 C ATOM 832 C TYR A 58 3.887 -8.317 -7.314 1.00 0.00 C ATOM 833 O TYR A 58 4.664 -9.013 -7.966 1.00 0.00 O ATOM 834 CB TYR A 58 3.725 -8.059 -4.816 1.00 0.00 C ATOM 835 CG TYR A 58 2.991 -8.408 -3.535 1.00 0.00 C ATOM 836 CD1 TYR A 58 3.394 -9.479 -2.701 1.00 0.00 C ATOM 837 CD2 TYR A 58 1.840 -7.665 -3.218 1.00 0.00 C ATOM 838 CE1 TYR A 58 2.619 -9.813 -1.578 1.00 0.00 C ATOM 839 CE2 TYR A 58 1.081 -7.985 -2.085 1.00 0.00 C ATOM 840 CZ TYR A 58 1.456 -9.074 -1.272 1.00 0.00 C ATOM 841 OH TYR A 58 0.697 -9.415 -0.199 1.00 0.00 O ATOM 0 H TYR A 58 4.588 -10.438 -5.960 1.00 0.00 H new ATOM 0 HA TYR A 58 2.165 -8.755 -6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.791 -8.234 -4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.601 -6.995 -5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.292 -10.036 -2.927 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.540 -6.843 -3.851 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.914 -10.638 -0.947 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.210 -7.398 -1.835 1.00 0.00 H new ATOM 0 HH TYR A 58 0.027 -8.718 -0.037 1.00 0.00 H new ATOM 851 N SER A 59 3.575 -7.067 -7.649 1.00 0.00 N ATOM 852 CA SER A 59 4.220 -6.277 -8.690 1.00 0.00 C ATOM 853 C SER A 59 4.839 -5.025 -8.035 1.00 0.00 C ATOM 854 O SER A 59 4.551 -4.746 -6.871 1.00 0.00 O ATOM 855 CB SER A 59 3.166 -5.882 -9.732 1.00 0.00 C ATOM 856 OG SER A 59 2.258 -6.908 -10.103 1.00 0.00 O ATOM 0 H SER A 59 2.829 -6.555 -7.178 1.00 0.00 H new ATOM 0 HA SER A 59 5.006 -6.846 -9.186 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.595 -5.039 -9.344 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.679 -5.534 -10.628 1.00 0.00 H new ATOM 0 HG SER A 59 1.626 -6.561 -10.767 1.00 0.00 H new ATOM 862 N ALA A 60 5.616 -4.232 -8.780 1.00 0.00 N ATOM 863 CA ALA A 60 6.129 -2.900 -8.446 1.00 0.00 C ATOM 864 C ALA A 60 6.831 -2.392 -9.706 1.00 0.00 C ATOM 865 O ALA A 60 7.775 -3.021 -10.201 1.00 0.00 O ATOM 866 CB ALA A 60 7.059 -2.913 -7.225 1.00 0.00 C ATOM 0 H ALA A 60 5.927 -4.529 -9.705 1.00 0.00 H new ATOM 0 HA ALA A 60 5.316 -2.235 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.409 -1.901 -7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.516 -3.289 -6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.914 -3.559 -7.425 1.00 0.00 H new ATOM 872 N GLY A 61 6.338 -1.279 -10.247 1.00 0.00 N ATOM 873 CA GLY A 61 7.021 -0.422 -11.182 1.00 0.00 C ATOM 874 C GLY A 61 8.247 0.183 -10.512 1.00 0.00 C ATOM 875 O GLY A 61 8.545 -0.063 -9.339 1.00 0.00 O ATOM 0 H GLY A 61 5.401 -0.944 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.318 -0.991 -12.063 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.352 0.368 -11.523 1.00 0.00 H new ATOM 879 N ASP A 62 8.942 1.010 -11.276 1.00 0.00 N ATOM 880 CA ASP A 62 10.320 1.417 -11.013 1.00 0.00 C ATOM 881 C ASP A 62 10.448 2.157 -9.685 1.00 0.00 C ATOM 882 O ASP A 62 11.381 1.934 -8.914 1.00 0.00 O ATOM 883 CB ASP A 62 10.785 2.308 -12.163 1.00 0.00 C ATOM 884 CG ASP A 62 12.280 2.565 -12.068 1.00 0.00 C ATOM 885 OD1 ASP A 62 13.036 1.584 -12.247 1.00 0.00 O ATOM 886 OD2 ASP A 62 12.687 3.740 -11.970 1.00 0.00 O ATOM 0 H ASP A 62 8.556 1.431 -12.121 1.00 0.00 H new ATOM 0 HA ASP A 62 10.945 0.527 -10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.552 1.833 -13.116 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.245 3.255 -12.138 1.00 0.00 H new ATOM 891 N GLY A 63 9.444 2.985 -9.408 1.00 0.00 N ATOM 892 CA GLY A 63 9.283 3.781 -8.219 1.00 0.00 C ATOM 893 C GLY A 63 8.109 3.217 -7.437 1.00 0.00 C ATOM 894 O GLY A 63 6.991 3.703 -7.578 1.00 0.00 O ATOM 0 H GLY A 63 8.673 3.118 -10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.191 3.755 -7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.103 4.824 -8.479 1.00 0.00 H new ATOM 898 N LEU A 64 8.315 2.154 -6.654 1.00 0.00 N ATOM 899 CA LEU A 64 7.284 1.616 -5.747 1.00 0.00 C ATOM 900 C LEU A 64 6.738 2.753 -4.878 1.00 0.00 C ATOM 901 O LEU A 64 5.524 2.869 -4.699 1.00 0.00 O ATOM 902 CB LEU A 64 7.874 0.478 -4.898 1.00 0.00 C ATOM 903 CG LEU A 64 6.888 -0.214 -3.933 1.00 0.00 C ATOM 904 CD1 LEU A 64 7.487 -1.551 -3.499 1.00 0.00 C ATOM 905 CD2 LEU A 64 6.616 0.555 -2.629 1.00 0.00 C ATOM 0 H LEU A 64 9.196 1.640 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 64 6.457 1.198 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.287 -0.275 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.705 0.876 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 64 5.953 -0.294 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.801 -2.052 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.650 -2.178 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.438 -1.377 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.913 -0.007 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.550 0.687 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.192 1.531 -2.864 1.00 0.00 H new ATOM 917 N ARG A 65 7.636 3.561 -4.304 1.00 0.00 N ATOM 918 CA ARG A 65 7.309 4.490 -3.224 1.00 0.00 C ATOM 919 C ARG A 65 6.789 5.839 -3.699 1.00 0.00 C ATOM 920 O ARG A 65 6.466 6.661 -2.839 1.00 0.00 O ATOM 921 CB ARG A 65 8.560 4.779 -2.377 1.00 0.00 C ATOM 922 CG ARG A 65 9.166 3.538 -1.732 1.00 0.00 C ATOM 923 CD ARG A 65 10.223 3.958 -0.702 1.00 0.00 C ATOM 924 NE ARG A 65 10.551 2.819 0.157 1.00 0.00 N ATOM 925 CZ ARG A 65 10.296 2.797 1.468 1.00 0.00 C ATOM 926 NH1 ARG A 65 10.387 3.880 2.229 1.00 0.00 N ATOM 927 NH2 ARG A 65 9.883 1.660 2.010 1.00 0.00 N ATOM 0 H ARG A 65 8.618 3.587 -4.580 1.00 0.00 H new ATOM 0 HA ARG A 65 6.522 3.993 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.312 5.254 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.301 5.494 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.386 2.949 -1.249 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.618 2.903 -2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.119 4.313 -1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.849 4.786 -0.099 1.00 0.00 H new ATOM 0 HE ARG A 65 10.995 2.004 -0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.660 4.772 1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.184 3.821 3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.767 0.830 1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.681 1.615 3.009 1.00 0.00 H new ATOM 941 N ASP A 66 6.812 6.105 -5.002 1.00 0.00 N ATOM 942 CA ASP A 66 6.761 7.459 -5.535 1.00 0.00 C ATOM 943 C ASP A 66 5.538 8.191 -4.986 1.00 0.00 C ATOM 944 O ASP A 66 4.403 7.811 -5.290 1.00 0.00 O ATOM 945 CB ASP A 66 6.756 7.441 -7.071 1.00 0.00 C ATOM 946 CG ASP A 66 8.086 7.902 -7.649 1.00 0.00 C ATOM 947 OD1 ASP A 66 9.066 7.139 -7.543 1.00 0.00 O ATOM 948 OD2 ASP A 66 8.148 9.031 -8.198 1.00 0.00 O ATOM 0 H ASP A 66 6.867 5.382 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 66 7.654 7.996 -5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.538 6.432 -7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.958 8.085 -7.439 1.00 0.00 H new ATOM 953 N GLY A 67 5.778 9.212 -4.156 1.00 0.00 N ATOM 954 CA GLY A 67 4.745 10.105 -3.660 1.00 0.00 C ATOM 955 C GLY A 67 4.547 10.115 -2.142 1.00 0.00 C ATOM 956 O GLY A 67 3.876 11.022 -1.646 1.00 0.00 O ATOM 0 H GLY A 67 6.711 9.438 -3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.981 11.119 -3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.800 9.833 -4.129 1.00 0.00 H new ATOM 960 N ALA A 68 5.110 9.147 -1.407 1.00 0.00 N ATOM 961 CA ALA A 68 5.073 9.070 0.057 1.00 0.00 C ATOM 962 C ALA A 68 6.367 8.422 0.569 1.00 0.00 C ATOM 963 O ALA A 68 7.299 8.218 -0.216 1.00 0.00 O ATOM 964 CB ALA A 68 3.822 8.294 0.483 1.00 0.00 C ATOM 0 H ALA A 68 5.620 8.371 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 68 5.014 10.066 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.786 8.231 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.933 8.809 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.857 7.289 0.063 1.00 0.00 H new ATOM 970 N ASP A 69 6.476 8.116 1.866 1.00 0.00 N ATOM 971 CA ASP A 69 7.566 7.305 2.400 1.00 0.00 C ATOM 972 C ASP A 69 7.133 6.527 3.649 1.00 0.00 C ATOM 973 O ASP A 69 7.096 7.066 4.761 1.00 0.00 O ATOM 974 CB ASP A 69 8.827 8.137 2.665 1.00 0.00 C ATOM 975 CG ASP A 69 9.969 7.152 2.876 1.00 0.00 C ATOM 976 OD1 ASP A 69 10.413 6.580 1.848 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.299 6.856 4.050 1.00 0.00 O ATOM 0 H ASP A 69 5.809 8.426 2.573 1.00 0.00 H new ATOM 0 HA ASP A 69 7.822 6.575 1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.037 8.798 1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.695 8.770 3.543 1.00 0.00 H new ATOM 982 N PHE A 70 6.776 5.256 3.448 1.00 0.00 N ATOM 983 CA PHE A 70 6.226 4.325 4.441 1.00 0.00 C ATOM 984 C PHE A 70 7.119 3.075 4.530 1.00 0.00 C ATOM 985 O PHE A 70 7.892 2.772 3.614 1.00 0.00 O ATOM 986 CB PHE A 70 4.776 3.988 4.032 1.00 0.00 C ATOM 987 CG PHE A 70 4.670 3.220 2.725 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.021 1.862 2.665 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.267 3.871 1.548 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.004 1.172 1.446 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.183 3.160 0.339 1.00 0.00 C ATOM 992 CZ PHE A 70 4.548 1.807 0.282 1.00 0.00 C ATOM 0 H PHE A 70 6.869 4.821 2.530 1.00 0.00 H new ATOM 0 HA PHE A 70 6.208 4.771 5.435 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.311 3.402 4.825 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.208 4.914 3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.307 1.344 3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.021 4.922 1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.343 0.148 1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.835 3.659 -0.553 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.479 1.261 -0.647 1.00 0.00 H new ATOM 1002 N LEU A 71 6.940 2.290 5.582 1.00 0.00 N ATOM 1003 CA LEU A 71 7.659 1.034 5.869 1.00 0.00 C ATOM 1004 C LEU A 71 6.884 -0.165 5.333 1.00 0.00 C ATOM 1005 O LEU A 71 5.656 -0.164 5.325 1.00 0.00 O ATOM 1006 CB LEU A 71 7.822 0.815 7.386 1.00 0.00 C ATOM 1007 CG LEU A 71 9.124 1.347 7.999 1.00 0.00 C ATOM 1008 CD1 LEU A 71 9.020 1.195 9.515 1.00 0.00 C ATOM 1009 CD2 LEU A 71 10.340 0.542 7.515 1.00 0.00 C ATOM 0 H LEU A 71 6.255 2.514 6.304 1.00 0.00 H new ATOM 0 HA LEU A 71 8.634 1.118 5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.982 1.288 7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.756 -0.254 7.589 1.00 0.00 H new ATOM 0 HG LEU A 71 9.258 2.387 7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.933 1.565 9.981 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.168 1.768 9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.885 0.143 9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.246 0.944 7.968 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.223 -0.503 7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.414 0.612 6.430 1.00 0.00 H new ATOM 1021 N ILE A 72 7.591 -1.221 4.932 1.00 0.00 N ATOM 1022 CA ILE A 72 7.011 -2.436 4.379 1.00 0.00 C ATOM 1023 C ILE A 72 7.090 -3.520 5.449 1.00 0.00 C ATOM 1024 O ILE A 72 8.172 -3.825 5.952 1.00 0.00 O ATOM 1025 CB ILE A 72 7.732 -2.844 3.085 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.724 -1.703 2.041 1.00 0.00 C ATOM 1027 CG2 ILE A 72 7.059 -4.099 2.491 1.00 0.00 C ATOM 1028 CD1 ILE A 72 8.865 -1.857 1.041 1.00 0.00 C ATOM 0 H ILE A 72 8.609 -1.252 4.986 1.00 0.00 H new ATOM 0 HA ILE A 72 5.968 -2.275 4.107 1.00 0.00 H new ATOM 0 HB ILE A 72 8.771 -3.061 3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.772 -1.699 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.810 -0.742 2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.572 -4.387 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.115 -4.917 3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.014 -3.881 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.831 -1.039 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.818 -1.835 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.763 -2.807 0.516 1.00 0.00 H new ATOM 1040 N CYS A 73 5.964 -4.144 5.763 1.00 0.00 N ATOM 1041 CA CYS A 73 5.881 -5.277 6.664 1.00 0.00 C ATOM 1042 C CYS A 73 5.471 -6.493 5.834 1.00 0.00 C ATOM 1043 O CYS A 73 4.635 -6.375 4.937 1.00 0.00 O ATOM 1044 CB CYS A 73 4.897 -4.988 7.802 1.00 0.00 C ATOM 1045 SG CYS A 73 5.206 -3.335 8.492 1.00 0.00 S ATOM 0 H CYS A 73 5.058 -3.865 5.385 1.00 0.00 H new ATOM 0 HA CYS A 73 6.842 -5.473 7.139 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.873 -5.051 7.433 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.001 -5.741 8.583 1.00 0.00 H new ATOM 0 HG CYS A 73 4.696 -2.434 7.706 1.00 0.00 H new ATOM 1051 N VAL A 74 6.057 -7.650 6.117 1.00 0.00 N ATOM 1052 CA VAL A 74 5.756 -8.929 5.465 1.00 0.00 C ATOM 1053 C VAL A 74 5.604 -9.982 6.568 1.00 0.00 C ATOM 1054 O VAL A 74 6.100 -9.748 7.679 1.00 0.00 O ATOM 1055 CB VAL A 74 6.855 -9.285 4.431 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.750 -8.411 3.180 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.288 -9.186 4.965 1.00 0.00 C ATOM 0 H VAL A 74 6.781 -7.732 6.831 1.00 0.00 H new ATOM 0 HA VAL A 74 4.827 -8.878 4.898 1.00 0.00 H new ATOM 0 HB VAL A 74 6.664 -10.331 4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.535 -8.687 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.776 -8.559 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.864 -7.363 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.990 -9.452 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.483 -8.166 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.411 -9.869 5.805 1.00 0.00 H new ATOM 1067 N PRO A 75 4.952 -11.134 6.328 1.00 0.00 N ATOM 1068 CA PRO A 75 4.812 -12.130 7.375 1.00 0.00 C ATOM 1069 C PRO A 75 6.194 -12.687 7.693 1.00 0.00 C ATOM 1070 O PRO A 75 7.055 -12.767 6.808 1.00 0.00 O ATOM 1071 CB PRO A 75 3.873 -13.208 6.828 1.00 0.00 C ATOM 1072 CG PRO A 75 3.959 -13.050 5.312 1.00 0.00 C ATOM 1073 CD PRO A 75 4.289 -11.571 5.107 1.00 0.00 C ATOM 0 HA PRO A 75 4.398 -11.723 8.298 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.185 -14.204 7.142 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.853 -13.066 7.185 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.730 -13.693 4.888 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.019 -13.319 4.830 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.936 -11.432 4.241 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.384 -10.991 4.925 1.00 0.00 H new ATOM 1081 N GLU A 76 6.424 -13.063 8.950 1.00 0.00 N ATOM 1082 CA GLU A 76 7.722 -13.581 9.405 1.00 0.00 C ATOM 1083 C GLU A 76 8.218 -14.749 8.536 1.00 0.00 C ATOM 1084 O GLU A 76 9.422 -14.922 8.335 1.00 0.00 O ATOM 1085 CB GLU A 76 7.672 -13.939 10.895 1.00 0.00 C ATOM 1086 CG GLU A 76 6.918 -15.237 11.186 1.00 0.00 C ATOM 1087 CD GLU A 76 6.760 -15.442 12.687 1.00 0.00 C ATOM 1088 OE1 GLU A 76 7.715 -15.927 13.341 1.00 0.00 O ATOM 1089 OE2 GLU A 76 5.670 -15.135 13.206 1.00 0.00 O ATOM 0 H GLU A 76 5.718 -13.019 9.685 1.00 0.00 H new ATOM 0 HA GLU A 76 8.458 -12.786 9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.690 -14.027 11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.198 -13.123 11.441 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.937 -15.207 10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.455 -16.081 10.753 1.00 0.00 H new ATOM 1096 N GLU A 77 7.294 -15.529 7.969 1.00 0.00 N ATOM 1097 CA GLU A 77 7.578 -16.679 7.145 1.00 0.00 C ATOM 1098 C GLU A 77 8.144 -16.289 5.776 1.00 0.00 C ATOM 1099 O GLU A 77 8.872 -17.080 5.177 1.00 0.00 O ATOM 1100 CB GLU A 77 6.273 -17.459 6.988 1.00 0.00 C ATOM 1101 CG GLU A 77 5.932 -18.207 8.286 1.00 0.00 C ATOM 1102 CD GLU A 77 4.875 -19.290 8.086 1.00 0.00 C ATOM 1103 OE1 GLU A 77 3.958 -19.126 7.253 1.00 0.00 O ATOM 1104 OE2 GLU A 77 4.959 -20.330 8.786 1.00 0.00 O ATOM 0 H GLU A 77 6.295 -15.360 8.083 1.00 0.00 H new ATOM 0 HA GLU A 77 8.345 -17.288 7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.463 -16.776 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.364 -18.169 6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.838 -18.660 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.577 -17.493 9.029 1.00 0.00 H new ATOM 1111 N ALA A 78 7.850 -15.084 5.273 1.00 0.00 N ATOM 1112 CA ALA A 78 8.278 -14.619 3.954 1.00 0.00 C ATOM 1113 C ALA A 78 9.568 -13.780 4.000 1.00 0.00 C ATOM 1114 O ALA A 78 10.063 -13.352 2.955 1.00 0.00 O ATOM 1115 CB ALA A 78 7.128 -13.817 3.340 1.00 0.00 C ATOM 0 H ALA A 78 7.298 -14.394 5.783 1.00 0.00 H new ATOM 0 HA ALA A 78 8.516 -15.488 3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.421 -13.458 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.249 -14.454 3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.894 -12.967 3.981 1.00 0.00 H new ATOM 1121 N LEU A 79 10.112 -13.509 5.188 1.00 0.00 N ATOM 1122 CA LEU A 79 11.113 -12.466 5.388 1.00 0.00 C ATOM 1123 C LEU A 79 12.410 -12.713 4.603 1.00 0.00 C ATOM 1124 O LEU A 79 12.891 -11.812 3.913 1.00 0.00 O ATOM 1125 CB LEU A 79 11.375 -12.330 6.895 1.00 0.00 C ATOM 1126 CG LEU A 79 12.173 -11.077 7.310 1.00 0.00 C ATOM 1127 CD1 LEU A 79 11.611 -9.747 6.779 1.00 0.00 C ATOM 1128 CD2 LEU A 79 12.197 -11.007 8.842 1.00 0.00 C ATOM 0 H LEU A 79 9.867 -14.011 6.041 1.00 0.00 H new ATOM 0 HA LEU A 79 10.721 -11.529 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.417 -12.320 7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.914 -13.214 7.236 1.00 0.00 H new ATOM 0 HG LEU A 79 13.164 -11.189 6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.238 -8.924 7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.601 -9.765 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.595 -9.608 7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.757 -10.127 9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.176 -10.942 9.219 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.674 -11.903 9.240 1.00 0.00 H new ATOM 1140 N ASP A 80 12.987 -13.913 4.706 1.00 0.00 N ATOM 1141 CA ASP A 80 14.249 -14.274 4.042 1.00 0.00 C ATOM 1142 C ASP A 80 14.010 -14.485 2.554 1.00 0.00 C ATOM 1143 O ASP A 80 14.829 -14.065 1.747 1.00 0.00 O ATOM 1144 CB ASP A 80 14.809 -15.578 4.625 1.00 0.00 C ATOM 1145 CG ASP A 80 16.242 -15.918 4.207 1.00 0.00 C ATOM 1146 OD1 ASP A 80 17.074 -15.026 3.940 1.00 0.00 O ATOM 1147 OD2 ASP A 80 16.563 -17.130 4.192 1.00 0.00 O ATOM 0 H ASP A 80 12.589 -14.672 5.259 1.00 0.00 H new ATOM 0 HA ASP A 80 14.959 -13.462 4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.770 -15.517 5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.157 -16.399 4.328 1.00 0.00 H new ATOM 1152 N ARG A 81 12.866 -15.079 2.178 1.00 0.00 N ATOM 1153 CA ARG A 81 12.421 -15.217 0.794 1.00 0.00 C ATOM 1154 C ARG A 81 12.522 -13.862 0.100 1.00 0.00 C ATOM 1155 O ARG A 81 13.138 -13.752 -0.957 1.00 0.00 O ATOM 1156 CB ARG A 81 10.961 -15.708 0.770 1.00 0.00 C ATOM 1157 CG ARG A 81 10.735 -17.217 0.670 1.00 0.00 C ATOM 1158 CD ARG A 81 9.227 -17.480 0.743 1.00 0.00 C ATOM 1159 NE ARG A 81 8.895 -18.886 1.010 1.00 0.00 N ATOM 1160 CZ ARG A 81 8.736 -19.857 0.108 1.00 0.00 C ATOM 1161 NH1 ARG A 81 8.983 -19.646 -1.177 1.00 0.00 N ATOM 1162 NH2 ARG A 81 8.323 -21.057 0.498 1.00 0.00 N ATOM 0 H ARG A 81 12.214 -15.484 2.849 1.00 0.00 H new ATOM 0 HA ARG A 81 13.049 -15.940 0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.469 -15.352 1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.459 -15.234 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.143 -17.602 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.251 -17.733 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.794 -16.857 1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.766 -17.177 -0.197 1.00 0.00 H new ATOM 0 HE ARG A 81 8.773 -19.148 1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.300 -18.729 -1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.856 -20.401 -1.851 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.129 -21.234 1.484 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.200 -21.802 -0.188 1.00 0.00 H new ATOM 1176 N TYR A 82 11.927 -12.828 0.691 1.00 0.00 N ATOM 1177 CA TYR A 82 11.867 -11.501 0.098 1.00 0.00 C ATOM 1178 C TYR A 82 13.254 -10.842 0.097 1.00 0.00 C ATOM 1179 O TYR A 82 13.570 -10.089 -0.830 1.00 0.00 O ATOM 1180 CB TYR A 82 10.813 -10.661 0.837 1.00 0.00 C ATOM 1181 CG TYR A 82 9.365 -10.932 0.445 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.863 -12.242 0.290 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.488 -9.849 0.265 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.529 -12.461 -0.084 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.147 -10.060 -0.100 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.673 -11.367 -0.320 1.00 0.00 C ATOM 1187 OH TYR A 82 5.403 -11.579 -0.756 1.00 0.00 O ATOM 0 H TYR A 82 11.471 -12.892 1.601 1.00 0.00 H new ATOM 0 HA TYR A 82 11.563 -11.576 -0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.920 -10.836 1.908 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.027 -9.606 0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.514 -13.086 0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.849 -8.841 0.409 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.158 -13.469 -0.191 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.480 -9.218 -0.212 1.00 0.00 H new ATOM 0 HH TYR A 82 5.419 -12.179 -1.531 1.00 0.00 H new ATOM 1197 N ARG A 83 14.121 -11.154 1.068 1.00 0.00 N ATOM 1198 CA ARG A 83 15.535 -10.764 1.024 1.00 0.00 C ATOM 1199 C ARG A 83 16.333 -11.541 -0.033 1.00 0.00 C ATOM 1200 O ARG A 83 17.361 -11.057 -0.496 1.00 0.00 O ATOM 1201 CB ARG A 83 16.165 -10.868 2.426 1.00 0.00 C ATOM 1202 CG ARG A 83 15.728 -9.715 3.344 1.00 0.00 C ATOM 1203 CD ARG A 83 16.661 -9.473 4.541 1.00 0.00 C ATOM 1204 NE ARG A 83 17.347 -8.164 4.506 1.00 0.00 N ATOM 1205 CZ ARG A 83 18.512 -7.865 3.923 1.00 0.00 C ATOM 1206 NH1 ARG A 83 19.111 -8.748 3.130 1.00 0.00 N ATOM 1207 NH2 ARG A 83 19.088 -6.689 4.142 1.00 0.00 N ATOM 0 H ARG A 83 13.864 -11.681 1.902 1.00 0.00 H new ATOM 0 HA ARG A 83 15.578 -9.721 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.884 -11.818 2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 83 17.251 -10.867 2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.667 -8.800 2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.725 -9.922 3.716 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.082 -9.545 5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 83 17.410 -10.265 4.572 1.00 0.00 H new ATOM 0 HE ARG A 83 16.875 -7.397 4.984 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.682 -9.658 2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 83 20.000 -8.515 2.687 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.641 -6.009 4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.977 -6.465 3.695 1.00 0.00 H new ATOM 1221 N ARG A 84 15.883 -12.725 -0.449 1.00 0.00 N ATOM 1222 CA ARG A 84 16.524 -13.555 -1.468 1.00 0.00 C ATOM 1223 C ARG A 84 15.991 -13.260 -2.873 1.00 0.00 C ATOM 1224 O ARG A 84 16.324 -13.999 -3.804 1.00 0.00 O ATOM 1225 CB ARG A 84 16.362 -15.047 -1.110 1.00 0.00 C ATOM 1226 CG ARG A 84 17.290 -15.465 0.047 1.00 0.00 C ATOM 1227 CD ARG A 84 17.500 -16.972 0.154 1.00 0.00 C ATOM 1228 NE ARG A 84 18.123 -17.483 -1.081 1.00 0.00 N ATOM 1229 CZ ARG A 84 18.678 -18.675 -1.292 1.00 0.00 C ATOM 1230 NH1 ARG A 84 18.558 -19.654 -0.412 1.00 0.00 N ATOM 1231 NH2 ARG A 84 19.334 -18.906 -2.422 1.00 0.00 N ATOM 0 H ARG A 84 15.034 -13.146 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 84 17.586 -13.309 -1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.326 -15.243 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.579 -15.656 -1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.258 -14.981 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.874 -15.098 0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.133 -17.199 1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 84 16.545 -17.470 0.322 1.00 0.00 H new ATOM 0 HE ARG A 84 18.130 -16.842 -1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.032 -19.504 0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 84 18.991 -20.559 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 84 19.412 -18.172 -3.126 1.00 0.00 H new ATOM 0 HH22 ARG A 84 19.760 -19.818 -2.587 1.00 0.00 H new ATOM 1245 N ASP A 85 15.148 -12.250 -3.085 1.00 0.00 N ATOM 1246 CA ASP A 85 14.638 -11.974 -4.430 1.00 0.00 C ATOM 1247 C ASP A 85 15.635 -11.184 -5.272 1.00 0.00 C ATOM 1248 O ASP A 85 16.521 -10.522 -4.744 1.00 0.00 O ATOM 1249 CB ASP A 85 13.301 -11.241 -4.367 1.00 0.00 C ATOM 1250 CG ASP A 85 12.662 -11.298 -5.748 1.00 0.00 C ATOM 1251 OD1 ASP A 85 12.527 -12.425 -6.285 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.465 -10.220 -6.351 1.00 0.00 O ATOM 0 H ASP A 85 14.808 -11.619 -2.359 1.00 0.00 H new ATOM 0 HA ASP A 85 14.488 -12.938 -4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.648 -11.704 -3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.449 -10.206 -4.059 1.00 0.00 H new ATOM 1257 N TYR A 86 15.504 -11.213 -6.596 1.00 0.00 N ATOM 1258 CA TYR A 86 16.332 -10.401 -7.472 1.00 0.00 C ATOM 1259 C TYR A 86 15.940 -8.925 -7.383 1.00 0.00 C ATOM 1260 O TYR A 86 16.814 -8.060 -7.314 1.00 0.00 O ATOM 1261 CB TYR A 86 16.194 -10.916 -8.902 1.00 0.00 C ATOM 1262 CG TYR A 86 17.252 -10.357 -9.836 1.00 0.00 C ATOM 1263 CD1 TYR A 86 18.576 -10.818 -9.731 1.00 0.00 C ATOM 1264 CD2 TYR A 86 16.926 -9.379 -10.796 1.00 0.00 C ATOM 1265 CE1 TYR A 86 19.572 -10.327 -10.589 1.00 0.00 C ATOM 1266 CE2 TYR A 86 17.919 -8.882 -11.661 1.00 0.00 C ATOM 1267 CZ TYR A 86 19.247 -9.354 -11.559 1.00 0.00 C ATOM 1268 OH TYR A 86 20.205 -8.878 -12.396 1.00 0.00 O ATOM 0 H TYR A 86 14.825 -11.797 -7.085 1.00 0.00 H new ATOM 0 HA TYR A 86 17.373 -10.479 -7.158 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.258 -12.004 -8.899 1.00 0.00 H new ATOM 0 HB3 TYR A 86 15.206 -10.656 -9.283 1.00 0.00 H new ATOM 0 HD1 TYR A 86 18.829 -11.556 -8.984 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.913 -9.010 -10.868 1.00 0.00 H new ATOM 0 HE1 TYR A 86 20.585 -10.693 -10.507 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.666 -8.139 -12.403 1.00 0.00 H new ATOM 0 HH TYR A 86 19.811 -8.216 -13.002 1.00 0.00 H new ATOM 1278 N PHE A 87 14.638 -8.630 -7.383 1.00 0.00 N ATOM 1279 CA PHE A 87 14.113 -7.275 -7.420 1.00 0.00 C ATOM 1280 C PHE A 87 13.808 -6.790 -6.009 1.00 0.00 C ATOM 1281 O PHE A 87 14.302 -5.739 -5.619 1.00 0.00 O ATOM 1282 CB PHE A 87 12.874 -7.231 -8.319 1.00 0.00 C ATOM 1283 CG PHE A 87 12.069 -5.942 -8.298 1.00 0.00 C ATOM 1284 CD1 PHE A 87 12.670 -4.675 -8.112 1.00 0.00 C ATOM 1285 CD2 PHE A 87 10.677 -6.022 -8.478 1.00 0.00 C ATOM 1286 CE1 PHE A 87 11.886 -3.508 -8.122 1.00 0.00 C ATOM 1287 CE2 PHE A 87 9.897 -4.856 -8.476 1.00 0.00 C ATOM 1288 CZ PHE A 87 10.497 -3.597 -8.311 1.00 0.00 C ATOM 0 H PHE A 87 13.910 -9.344 -7.357 1.00 0.00 H new ATOM 0 HA PHE A 87 14.860 -6.601 -7.840 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.190 -7.420 -9.345 1.00 0.00 H new ATOM 0 HB3 PHE A 87 12.215 -8.050 -8.032 1.00 0.00 H new ATOM 0 HD1 PHE A 87 13.737 -4.604 -7.961 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.207 -6.984 -8.618 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.352 -2.543 -7.984 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.827 -4.927 -8.602 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.893 -2.702 -8.329 1.00 0.00 H new ATOM 1298 N TRP A 88 13.027 -7.532 -5.213 1.00 0.00 N ATOM 1299 CA TRP A 88 12.618 -7.035 -3.894 1.00 0.00 C ATOM 1300 C TRP A 88 13.802 -6.784 -2.940 1.00 0.00 C ATOM 1301 O TRP A 88 13.621 -6.092 -1.935 1.00 0.00 O ATOM 1302 CB TRP A 88 11.521 -7.920 -3.280 1.00 0.00 C ATOM 1303 CG TRP A 88 10.150 -7.665 -3.839 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.503 -8.413 -4.764 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.233 -6.586 -3.494 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.268 -7.844 -5.041 1.00 0.00 N ATOM 1307 CE2 TRP A 88 8.053 -6.719 -4.283 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.269 -5.516 -2.576 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 6.959 -5.849 -4.158 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 8.161 -4.664 -2.409 1.00 0.00 C ATOM 1311 CH2 TRP A 88 7.004 -4.835 -3.190 1.00 0.00 C ATOM 0 H TRP A 88 12.673 -8.458 -5.452 1.00 0.00 H new ATOM 0 HA TRP A 88 12.181 -6.049 -4.051 1.00 0.00 H new ATOM 0 HB2 TRP A 88 11.780 -8.967 -3.441 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.499 -7.759 -2.202 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.889 -9.314 -5.217 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.604 -8.214 -5.721 1.00 0.00 H new ATOM 0 HE3 TRP A 88 10.161 -5.348 -1.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 6.096 -5.959 -4.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.200 -3.873 -1.675 1.00 0.00 H new ATOM 0 HH2 TRP A 88 6.152 -4.187 -3.045 1.00 0.00 H new ATOM 1322 N GLN A 89 15.012 -7.266 -3.252 1.00 0.00 N ATOM 1323 CA GLN A 89 16.264 -6.861 -2.640 1.00 0.00 C ATOM 1324 C GLN A 89 16.473 -5.353 -2.552 1.00 0.00 C ATOM 1325 O GLN A 89 16.847 -4.886 -1.481 1.00 0.00 O ATOM 1326 CB GLN A 89 17.424 -7.502 -3.404 1.00 0.00 C ATOM 1327 CG GLN A 89 17.890 -8.747 -2.650 1.00 0.00 C ATOM 1328 CD GLN A 89 19.241 -9.238 -3.146 1.00 0.00 C ATOM 1329 OE1 GLN A 89 20.273 -8.974 -2.529 1.00 0.00 O ATOM 1330 NE2 GLN A 89 19.249 -9.910 -4.282 1.00 0.00 N ATOM 0 H GLN A 89 15.140 -7.979 -3.970 1.00 0.00 H new ATOM 0 HA GLN A 89 16.225 -7.209 -1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.108 -7.769 -4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.246 -6.793 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.954 -8.524 -1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.151 -9.540 -2.766 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.372 -10.109 -4.763 1.00 0.00 H new ATOM 0 HE22 GLN A 89 20.132 -10.231 -4.679 1.00 0.00 H new ATOM 1339 N THR A 90 16.263 -4.586 -3.624 1.00 0.00 N ATOM 1340 CA THR A 90 16.500 -3.138 -3.590 1.00 0.00 C ATOM 1341 C THR A 90 15.762 -2.508 -2.398 1.00 0.00 C ATOM 1342 O THR A 90 16.335 -1.740 -1.620 1.00 0.00 O ATOM 1343 CB THR A 90 16.152 -2.492 -4.950 1.00 0.00 C ATOM 1344 OG1 THR A 90 16.661 -1.172 -5.006 1.00 0.00 O ATOM 1345 CG2 THR A 90 14.664 -2.444 -5.271 1.00 0.00 C ATOM 0 H THR A 90 15.931 -4.939 -4.522 1.00 0.00 H new ATOM 0 HA THR A 90 17.561 -2.944 -3.434 1.00 0.00 H new ATOM 0 HB THR A 90 16.616 -3.138 -5.695 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.437 -0.772 -5.872 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.517 -1.974 -6.244 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.264 -3.458 -5.293 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.145 -1.866 -4.506 1.00 0.00 H new ATOM 1353 N TYR A 91 14.509 -2.920 -2.187 1.00 0.00 N ATOM 1354 CA TYR A 91 13.636 -2.395 -1.155 1.00 0.00 C ATOM 1355 C TYR A 91 13.900 -2.987 0.234 1.00 0.00 C ATOM 1356 O TYR A 91 13.167 -2.662 1.168 1.00 0.00 O ATOM 1357 CB TYR A 91 12.177 -2.514 -1.633 1.00 0.00 C ATOM 1358 CG TYR A 91 11.827 -1.433 -2.645 1.00 0.00 C ATOM 1359 CD1 TYR A 91 11.773 -0.094 -2.207 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.637 -1.724 -4.012 1.00 0.00 C ATOM 1361 CE1 TYR A 91 11.550 0.948 -3.119 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.377 -0.681 -4.924 1.00 0.00 C ATOM 1363 CZ TYR A 91 11.345 0.663 -4.486 1.00 0.00 C ATOM 1364 OH TYR A 91 11.079 1.674 -5.359 1.00 0.00 O ATOM 0 H TYR A 91 14.070 -3.649 -2.750 1.00 0.00 H new ATOM 0 HA TYR A 91 13.858 -1.338 -1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.019 -3.496 -2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.506 -2.442 -0.777 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.905 0.132 -1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.691 -2.745 -4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.535 1.971 -2.774 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.201 -0.910 -5.965 1.00 0.00 H new ATOM 0 HH TYR A 91 11.169 1.345 -6.278 1.00 0.00 H new ATOM 1374 N ALA A 92 14.949 -3.798 0.430 1.00 0.00 N ATOM 1375 CA ALA A 92 15.221 -4.503 1.677 1.00 0.00 C ATOM 1376 C ALA A 92 15.330 -3.544 2.846 1.00 0.00 C ATOM 1377 O ALA A 92 14.858 -3.865 3.934 1.00 0.00 O ATOM 1378 CB ALA A 92 16.523 -5.288 1.568 1.00 0.00 C ATOM 0 H ALA A 92 15.644 -3.982 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 92 14.386 -5.182 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.713 -5.809 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.443 -6.014 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.345 -4.603 1.361 1.00 0.00 H new ATOM 1384 N ALA A 93 15.910 -2.365 2.600 1.00 0.00 N ATOM 1385 CA ALA A 93 16.238 -1.374 3.610 1.00 0.00 C ATOM 1386 C ALA A 93 15.021 -0.835 4.386 1.00 0.00 C ATOM 1387 O ALA A 93 15.199 -0.039 5.312 1.00 0.00 O ATOM 1388 CB ALA A 93 17.020 -0.228 2.963 1.00 0.00 C ATOM 0 H ALA A 93 16.170 -2.072 1.658 1.00 0.00 H new ATOM 0 HA ALA A 93 16.851 -1.879 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.267 0.517 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.938 -0.617 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.412 0.233 2.185 1.00 0.00 H new ATOM 1394 N TRP A 94 13.803 -1.259 4.036 1.00 0.00 N ATOM 1395 CA TRP A 94 12.559 -0.850 4.669 1.00 0.00 C ATOM 1396 C TRP A 94 11.616 -2.037 4.921 1.00 0.00 C ATOM 1397 O TRP A 94 10.437 -1.807 5.192 1.00 0.00 O ATOM 1398 CB TRP A 94 11.893 0.209 3.789 1.00 0.00 C ATOM 1399 CG TRP A 94 12.780 1.332 3.343 1.00 0.00 C ATOM 1400 CD1 TRP A 94 13.034 2.446 4.061 1.00 0.00 C ATOM 1401 CD2 TRP A 94 13.554 1.473 2.113 1.00 0.00 C ATOM 1402 NE1 TRP A 94 13.905 3.256 3.367 1.00 0.00 N ATOM 1403 CE2 TRP A 94 14.291 2.689 2.177 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.719 0.691 0.952 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 15.169 3.091 1.160 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.572 1.105 -0.094 1.00 0.00 C ATOM 1407 CH2 TRP A 94 15.291 2.303 0.009 1.00 0.00 C ATOM 0 H TRP A 94 13.658 -1.922 3.274 1.00 0.00 H new ATOM 0 HA TRP A 94 12.784 -0.431 5.650 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.487 -0.282 2.905 1.00 0.00 H new ATOM 0 HB3 TRP A 94 11.049 0.631 4.335 1.00 0.00 H new ATOM 0 HD1 TRP A 94 12.617 2.668 5.032 1.00 0.00 H new ATOM 0 HE1 TRP A 94 14.225 4.167 3.697 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.183 -0.242 0.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.745 3.999 1.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.671 0.494 -0.979 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.937 2.618 -0.797 1.00 0.00 H new ATOM 1418 N ILE A 95 12.079 -3.292 4.798 1.00 0.00 N ATOM 1419 CA ILE A 95 11.237 -4.476 5.004 1.00 0.00 C ATOM 1420 C ILE A 95 11.460 -5.004 6.425 1.00 0.00 C ATOM 1421 O ILE A 95 12.608 -5.195 6.839 1.00 0.00 O ATOM 1422 CB ILE A 95 11.466 -5.566 3.927 1.00 0.00 C ATOM 1423 CG1 ILE A 95 11.191 -5.022 2.509 1.00 0.00 C ATOM 1424 CG2 ILE A 95 10.502 -6.736 4.185 1.00 0.00 C ATOM 1425 CD1 ILE A 95 11.644 -5.963 1.385 1.00 0.00 C ATOM 0 H ILE A 95 13.045 -3.511 4.554 1.00 0.00 H new ATOM 0 HA ILE A 95 10.192 -4.185 4.893 1.00 0.00 H new ATOM 0 HB ILE A 95 12.506 -5.888 3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.123 -4.833 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.697 -4.063 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 95 10.657 -7.508 3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.691 -7.152 5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.474 -6.378 4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.417 -5.512 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.718 -6.133 1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.119 -6.914 1.473 1.00 0.00 H new ATOM 1437 N GLN A 96 10.378 -5.265 7.157 1.00 0.00 N ATOM 1438 CA GLN A 96 10.350 -5.792 8.520 1.00 0.00 C ATOM 1439 C GLN A 96 9.234 -6.834 8.705 1.00 0.00 C ATOM 1440 O GLN A 96 8.373 -6.955 7.831 1.00 0.00 O ATOM 1441 CB GLN A 96 10.211 -4.640 9.527 1.00 0.00 C ATOM 1442 CG GLN A 96 9.248 -3.504 9.160 1.00 0.00 C ATOM 1443 CD GLN A 96 9.129 -2.501 10.303 1.00 0.00 C ATOM 1444 OE1 GLN A 96 8.032 -2.147 10.721 1.00 0.00 O ATOM 1445 NE2 GLN A 96 10.246 -2.025 10.833 1.00 0.00 N ATOM 0 H GLN A 96 9.440 -5.104 6.791 1.00 0.00 H new ATOM 0 HA GLN A 96 11.294 -6.305 8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.890 -5.061 10.480 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.199 -4.208 9.685 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.602 -2.998 8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.266 -3.915 8.928 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.151 -2.329 10.474 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.201 -1.354 11.600 1.00 0.00 H new ATOM 1454 N PRO A 97 9.249 -7.613 9.800 1.00 0.00 N ATOM 1455 CA PRO A 97 8.117 -8.446 10.172 1.00 0.00 C ATOM 1456 C PRO A 97 6.855 -7.640 10.497 1.00 0.00 C ATOM 1457 O PRO A 97 6.910 -6.467 10.874 1.00 0.00 O ATOM 1458 CB PRO A 97 8.592 -9.323 11.335 1.00 0.00 C ATOM 1459 CG PRO A 97 9.745 -8.527 11.944 1.00 0.00 C ATOM 1460 CD PRO A 97 10.339 -7.774 10.755 1.00 0.00 C ATOM 0 HA PRO A 97 7.805 -9.065 9.331 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.796 -9.492 12.060 1.00 0.00 H new ATOM 0 HB3 PRO A 97 8.921 -10.303 10.989 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.394 -7.842 12.716 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.481 -9.182 12.410 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.734 -6.806 11.063 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.166 -8.330 10.314 1.00 0.00 H new ATOM 1468 N MET A 98 5.718 -8.310 10.309 1.00 0.00 N ATOM 1469 CA MET A 98 4.378 -7.863 10.663 1.00 0.00 C ATOM 1470 C MET A 98 4.153 -8.059 12.170 1.00 0.00 C ATOM 1471 O MET A 98 4.875 -8.840 12.800 1.00 0.00 O ATOM 1472 CB MET A 98 3.363 -8.625 9.783 1.00 0.00 C ATOM 1473 CG MET A 98 3.042 -10.061 10.197 1.00 0.00 C ATOM 1474 SD MET A 98 1.674 -10.880 9.314 1.00 0.00 S ATOM 1475 CE MET A 98 1.836 -10.259 7.617 1.00 0.00 C ATOM 0 H MET A 98 5.712 -9.235 9.879 1.00 0.00 H new ATOM 0 HA MET A 98 4.244 -6.799 10.470 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.432 -8.058 9.768 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.743 -8.642 8.761 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.941 -10.663 10.064 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.810 -10.065 11.262 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.522 -11.032 6.915 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.208 -9.377 7.491 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.876 -9.994 7.424 1.00 0.00 H new ATOM 1485 N GLU A 99 3.145 -7.405 12.750 1.00 0.00 N ATOM 1486 CA GLU A 99 2.690 -7.658 14.112 1.00 0.00 C ATOM 1487 C GLU A 99 1.420 -8.529 14.112 1.00 0.00 C ATOM 1488 O GLU A 99 1.118 -9.188 13.109 1.00 0.00 O ATOM 1489 CB GLU A 99 2.673 -6.348 14.916 1.00 0.00 C ATOM 1490 CG GLU A 99 1.617 -5.310 14.533 1.00 0.00 C ATOM 1491 CD GLU A 99 2.196 -3.884 14.532 1.00 0.00 C ATOM 1492 OE1 GLU A 99 2.363 -3.255 15.605 1.00 0.00 O ATOM 1493 OE2 GLU A 99 2.538 -3.371 13.446 1.00 0.00 O ATOM 0 H GLU A 99 2.615 -6.673 12.276 1.00 0.00 H new ATOM 0 HA GLU A 99 3.395 -8.278 14.666 1.00 0.00 H new ATOM 0 HB2 GLU A 99 2.536 -6.598 15.968 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.654 -5.882 14.825 1.00 0.00 H new ATOM 0 HG2 GLU A 99 1.220 -5.542 13.545 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.783 -5.364 15.233 1.00 0.00 H new ATOM 1500 N GLN A 100 0.754 -8.635 15.265 1.00 0.00 N ATOM 1501 CA GLN A 100 -0.297 -9.616 15.531 1.00 0.00 C ATOM 1502 C GLN A 100 -1.664 -8.954 15.573 1.00 0.00 C ATOM 1503 O GLN A 100 -2.629 -9.602 15.113 1.00 0.00 O ATOM 1504 CB GLN A 100 0.014 -10.368 16.843 1.00 0.00 C ATOM 1505 CG GLN A 100 -0.915 -11.555 17.159 1.00 0.00 C ATOM 1506 CD GLN A 100 -0.789 -12.693 16.145 1.00 0.00 C ATOM 1507 OE1 GLN A 100 -0.036 -13.646 16.351 1.00 0.00 O ATOM 1508 NE2 GLN A 100 -1.512 -12.607 15.038 1.00 0.00 N ATOM 0 H GLN A 100 0.937 -8.023 16.060 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.321 -10.341 14.717 1.00 0.00 H new ATOM 0 HB2 GLN A 100 1.040 -10.733 16.798 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.036 -9.659 17.669 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.686 -11.935 18.155 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.948 -11.207 17.181 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.128 -11.807 14.892 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.453 -13.341 14.332 1.00 0.00 H new TER 1517 GLN A 100