USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 758 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 NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 97 SER OG : rot 180:sc= -0.234 USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0.0595 USER MOD Set 2.1: A 28 SER OG : rot -136:sc= -0.329 USER MOD Set 2.2: A 30 HIS : no HD1:sc= -3.49 X(o=-3.8,f=-4.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 4:sc= 0.444 USER MOD Single : A 5 SER OG : rot 19:sc= 0.981 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0578 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 170:sc= -0.0148 USER MOD Single : A 11 ASN : amide:sc= -0.19 K(o=-0.19,f=-5.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 132:sc= 0.566 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.62) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -1.83! K(o=-1.8!,f=-0.12) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-0.67) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0876 USER MOD Single : A 61 SER OG : rot 100:sc= 0.381 USER MOD Single : A 62 LYS NZ :NH3+ -162:sc= -0.967 (180deg=-1.99!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 126:sc= -0.753! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0295 K(o=-0.03,f=-1.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.733 USER MOD Single : A 79 LYS NZ :NH3+ -129:sc= 0.131 (180deg=-0.151) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -78:sc=0.000346 USER MOD Single : A 90 CYS SG : rot 46:sc= 0.893 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.899 25.382 30.753 1.00 0.00 N ATOM 2 CA GLY A 1 2.487 25.047 30.752 1.00 0.00 C ATOM 3 C GLY A 1 2.213 23.691 31.373 1.00 0.00 C ATOM 4 O GLY A 1 1.472 22.883 30.813 1.00 0.00 O ATOM 0 H1 GLY A 1 4.034 26.317 30.319 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.251 25.401 31.732 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.425 24.668 30.210 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.935 25.812 31.298 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.115 25.056 29.727 1.00 0.00 H new ATOM 8 N SER A 2 2.814 23.441 32.532 1.00 0.00 N ATOM 9 CA SER A 2 2.635 22.171 33.226 1.00 0.00 C ATOM 10 C SER A 2 2.740 21.000 32.254 1.00 0.00 C ATOM 11 O SER A 2 3.152 21.167 31.106 1.00 0.00 O ATOM 12 CB SER A 2 1.279 22.139 33.935 1.00 0.00 C ATOM 13 OG SER A 2 1.061 23.330 34.671 1.00 0.00 O ATOM 0 H SER A 2 3.428 24.100 33.010 1.00 0.00 H new ATOM 0 HA SER A 2 3.428 22.077 33.968 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.484 22.011 33.201 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.235 21.280 34.605 1.00 0.00 H new ATOM 0 HG SER A 2 0.188 23.286 35.113 1.00 0.00 H new ATOM 19 N SER A 3 2.365 19.814 32.722 1.00 0.00 N ATOM 20 CA SER A 3 2.421 18.614 31.897 1.00 0.00 C ATOM 21 C SER A 3 1.399 17.583 32.367 1.00 0.00 C ATOM 22 O SER A 3 1.635 16.851 33.327 1.00 0.00 O ATOM 23 CB SER A 3 3.825 18.009 31.933 1.00 0.00 C ATOM 24 OG SER A 3 4.762 18.855 31.289 1.00 0.00 O ATOM 0 H SER A 3 2.019 19.659 33.669 1.00 0.00 H new ATOM 0 HA SER A 3 2.181 18.897 30.872 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.128 17.847 32.967 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.817 17.034 31.446 1.00 0.00 H new ATOM 0 HG SER A 3 4.318 19.683 31.010 1.00 0.00 H new ATOM 30 N GLY A 4 0.260 17.532 31.682 1.00 0.00 N ATOM 31 CA GLY A 4 -0.781 16.588 32.043 1.00 0.00 C ATOM 32 C GLY A 4 -1.404 15.920 30.833 1.00 0.00 C ATOM 33 O GLY A 4 -2.567 16.163 30.512 1.00 0.00 O ATOM 0 H GLY A 4 0.040 18.128 30.884 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.363 15.825 32.700 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.556 17.106 32.608 1.00 0.00 H new ATOM 37 N SER A 5 -0.627 15.078 30.160 1.00 0.00 N ATOM 38 CA SER A 5 -1.108 14.377 28.975 1.00 0.00 C ATOM 39 C SER A 5 -0.468 12.996 28.863 1.00 0.00 C ATOM 40 O SER A 5 0.717 12.873 28.553 1.00 0.00 O ATOM 41 CB SER A 5 -0.808 15.194 27.716 1.00 0.00 C ATOM 42 OG SER A 5 0.585 15.246 27.462 1.00 0.00 O ATOM 0 H SER A 5 0.337 14.865 30.414 1.00 0.00 H new ATOM 0 HA SER A 5 -2.187 14.252 29.070 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.320 14.752 26.861 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.197 16.205 27.833 1.00 0.00 H new ATOM 0 HG SER A 5 1.033 14.520 27.945 1.00 0.00 H new ATOM 48 N SER A 6 -1.260 11.961 29.119 1.00 0.00 N ATOM 49 CA SER A 6 -0.771 10.589 29.051 1.00 0.00 C ATOM 50 C SER A 6 -1.126 9.951 27.712 1.00 0.00 C ATOM 51 O SER A 6 -0.322 9.230 27.122 1.00 0.00 O ATOM 52 CB SER A 6 -1.358 9.759 30.195 1.00 0.00 C ATOM 53 OG SER A 6 -2.675 9.333 29.894 1.00 0.00 O ATOM 0 H SER A 6 -2.244 12.046 29.376 1.00 0.00 H new ATOM 0 HA SER A 6 0.315 10.612 29.147 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.725 8.891 30.380 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.364 10.350 31.111 1.00 0.00 H new ATOM 0 HG SER A 6 -3.026 8.803 30.640 1.00 0.00 H new ATOM 59 N GLY A 7 -2.338 10.222 27.237 1.00 0.00 N ATOM 60 CA GLY A 7 -2.780 9.667 25.970 1.00 0.00 C ATOM 61 C GLY A 7 -4.016 8.801 26.116 1.00 0.00 C ATOM 62 O GLY A 7 -5.055 9.265 26.583 1.00 0.00 O ATOM 0 H GLY A 7 -3.022 10.816 27.707 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.990 10.480 25.274 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.975 9.075 25.535 1.00 0.00 H new ATOM 66 N MET A 8 -3.903 7.540 25.714 1.00 0.00 N ATOM 67 CA MET A 8 -5.020 6.607 25.802 1.00 0.00 C ATOM 68 C MET A 8 -5.393 6.340 27.257 1.00 0.00 C ATOM 69 O MET A 8 -4.549 6.364 28.153 1.00 0.00 O ATOM 70 CB MET A 8 -4.671 5.292 25.103 1.00 0.00 C ATOM 71 CG MET A 8 -4.520 5.425 23.596 1.00 0.00 C ATOM 72 SD MET A 8 -2.798 5.573 23.082 1.00 0.00 S ATOM 73 CE MET A 8 -2.995 5.895 21.331 1.00 0.00 C ATOM 0 H MET A 8 -3.049 7.140 25.324 1.00 0.00 H new ATOM 0 HA MET A 8 -5.877 7.059 25.303 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.742 4.904 25.520 1.00 0.00 H new ATOM 0 HB3 MET A 8 -5.448 4.558 25.319 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.966 4.556 23.112 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.074 6.300 23.255 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.014 6.011 20.870 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.519 5.061 20.864 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.572 6.809 21.192 1.00 0.00 H new ATOM 83 N PRO A 9 -6.686 6.080 27.500 1.00 0.00 N ATOM 84 CA PRO A 9 -7.199 5.804 28.845 1.00 0.00 C ATOM 85 C PRO A 9 -6.726 4.456 29.380 1.00 0.00 C ATOM 86 O PRO A 9 -7.410 3.443 29.232 1.00 0.00 O ATOM 87 CB PRO A 9 -8.717 5.800 28.652 1.00 0.00 C ATOM 88 CG PRO A 9 -8.916 5.445 27.219 1.00 0.00 C ATOM 89 CD PRO A 9 -7.747 6.036 26.480 1.00 0.00 C ATOM 0 HA PRO A 9 -6.850 6.537 29.573 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.198 5.076 29.310 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.148 6.774 28.882 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.955 4.364 27.087 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.858 5.846 26.845 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.459 5.422 25.627 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.976 7.030 26.095 1.00 0.00 H new ATOM 97 N THR A 10 -5.552 4.451 30.004 1.00 0.00 N ATOM 98 CA THR A 10 -4.987 3.228 30.560 1.00 0.00 C ATOM 99 C THR A 10 -5.199 3.162 32.068 1.00 0.00 C ATOM 100 O THR A 10 -5.370 4.187 32.726 1.00 0.00 O ATOM 101 CB THR A 10 -3.481 3.117 30.259 1.00 0.00 C ATOM 102 OG1 THR A 10 -3.129 1.750 30.018 1.00 0.00 O ATOM 103 CG2 THR A 10 -2.656 3.661 31.415 1.00 0.00 C ATOM 0 H THR A 10 -4.974 5.281 30.137 1.00 0.00 H new ATOM 0 HA THR A 10 -5.506 2.395 30.086 1.00 0.00 H new ATOM 0 HB THR A 10 -3.267 3.710 29.370 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.213 1.704 29.672 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.596 3.572 31.179 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.905 4.710 31.578 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.876 3.092 32.318 1.00 0.00 H new ATOM 111 N ASN A 11 -5.184 1.948 32.611 1.00 0.00 N ATOM 112 CA ASN A 11 -5.374 1.749 34.043 1.00 0.00 C ATOM 113 C ASN A 11 -4.367 0.742 34.590 1.00 0.00 C ATOM 114 O ASN A 11 -3.595 0.148 33.837 1.00 0.00 O ATOM 115 CB ASN A 11 -6.799 1.268 34.327 1.00 0.00 C ATOM 116 CG ASN A 11 -7.234 0.162 33.385 1.00 0.00 C ATOM 117 OD1 ASN A 11 -6.456 -0.301 32.551 1.00 0.00 O ATOM 118 ND2 ASN A 11 -8.485 -0.267 33.515 1.00 0.00 N ATOM 0 H ASN A 11 -5.042 1.088 32.081 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.214 2.704 34.542 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.861 0.911 35.355 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.488 2.108 34.239 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.835 -1.009 32.909 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.095 0.146 34.220 1.00 0.00 H new ATOM 125 N CYS A 12 -4.381 0.555 35.905 1.00 0.00 N ATOM 126 CA CYS A 12 -3.470 -0.379 36.555 1.00 0.00 C ATOM 127 C CYS A 12 -3.989 -1.810 36.447 1.00 0.00 C ATOM 128 O CYS A 12 -5.079 -2.123 36.926 1.00 0.00 O ATOM 129 CB CYS A 12 -3.283 -0.002 38.026 1.00 0.00 C ATOM 130 SG CYS A 12 -2.303 -1.204 38.983 1.00 0.00 S ATOM 0 H CYS A 12 -5.014 1.039 36.542 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.507 -0.321 36.047 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.798 0.972 38.081 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.263 0.103 38.491 1.00 0.00 H new ATOM 135 N ALA A 13 -3.202 -2.674 35.816 1.00 0.00 N ATOM 136 CA ALA A 13 -3.580 -4.071 35.647 1.00 0.00 C ATOM 137 C ALA A 13 -3.639 -4.790 36.990 1.00 0.00 C ATOM 138 O ALA A 13 -4.370 -5.767 37.151 1.00 0.00 O ATOM 139 CB ALA A 13 -2.606 -4.773 34.713 1.00 0.00 C ATOM 0 H ALA A 13 -2.297 -2.431 35.413 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.576 -4.101 35.204 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.901 -5.816 34.596 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.617 -4.282 33.740 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.601 -4.725 35.132 1.00 0.00 H new ATOM 145 N ALA A 14 -2.864 -4.301 37.953 1.00 0.00 N ATOM 146 CA ALA A 14 -2.829 -4.896 39.283 1.00 0.00 C ATOM 147 C ALA A 14 -4.226 -4.960 39.892 1.00 0.00 C ATOM 148 O ALA A 14 -4.914 -3.946 40.000 1.00 0.00 O ATOM 149 CB ALA A 14 -1.892 -4.111 40.188 1.00 0.00 C ATOM 0 H ALA A 14 -2.252 -3.494 37.836 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.455 -5.915 39.189 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.876 -4.567 41.178 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.887 -4.121 39.767 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.241 -3.082 40.268 1.00 0.00 H new ATOM 155 N ALA A 15 -4.639 -6.160 40.288 1.00 0.00 N ATOM 156 CA ALA A 15 -5.953 -6.356 40.888 1.00 0.00 C ATOM 157 C ALA A 15 -6.073 -5.600 42.207 1.00 0.00 C ATOM 158 O ALA A 15 -5.228 -5.736 43.091 1.00 0.00 O ATOM 159 CB ALA A 15 -6.220 -7.838 41.101 1.00 0.00 C ATOM 0 H ALA A 15 -4.082 -7.011 40.204 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.701 -5.958 40.202 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.205 -7.970 41.550 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.186 -8.355 40.142 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.461 -8.253 41.764 1.00 0.00 H new ATOM 165 N GLY A 16 -7.128 -4.801 42.332 1.00 0.00 N ATOM 166 CA GLY A 16 -7.338 -4.034 43.546 1.00 0.00 C ATOM 167 C GLY A 16 -6.829 -2.611 43.429 1.00 0.00 C ATOM 168 O GLY A 16 -7.189 -1.747 44.229 1.00 0.00 O ATOM 0 H GLY A 16 -7.841 -4.671 41.614 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.402 -4.018 43.782 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.835 -4.529 44.376 1.00 0.00 H new ATOM 172 N CYS A 17 -5.987 -2.367 42.431 1.00 0.00 N ATOM 173 CA CYS A 17 -5.424 -1.039 42.212 1.00 0.00 C ATOM 174 C CYS A 17 -5.975 -0.419 40.932 1.00 0.00 C ATOM 175 O CYS A 17 -5.747 -0.929 39.835 1.00 0.00 O ATOM 176 CB CYS A 17 -3.898 -1.115 42.139 1.00 0.00 C ATOM 177 SG CYS A 17 -3.078 0.507 42.016 1.00 0.00 S ATOM 0 H CYS A 17 -5.679 -3.071 41.761 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.710 -0.407 43.053 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.528 -1.631 43.025 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.616 -1.719 41.277 1.00 0.00 H new ATOM 182 N ALA A 18 -6.702 0.684 41.080 1.00 0.00 N ATOM 183 CA ALA A 18 -7.284 1.375 39.936 1.00 0.00 C ATOM 184 C ALA A 18 -6.689 2.769 39.776 1.00 0.00 C ATOM 185 O ALA A 18 -7.319 3.769 40.122 1.00 0.00 O ATOM 186 CB ALA A 18 -8.796 1.458 40.083 1.00 0.00 C ATOM 0 H ALA A 18 -6.902 1.118 41.981 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.048 0.803 39.039 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.217 1.976 39.222 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.212 0.452 40.140 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.044 2.005 40.993 1.00 0.00 H new ATOM 192 N THR A 19 -5.469 2.830 39.250 1.00 0.00 N ATOM 193 CA THR A 19 -4.787 4.102 39.047 1.00 0.00 C ATOM 194 C THR A 19 -5.064 4.657 37.654 1.00 0.00 C ATOM 195 O THR A 19 -4.965 3.940 36.657 1.00 0.00 O ATOM 196 CB THR A 19 -3.265 3.961 39.238 1.00 0.00 C ATOM 197 OG1 THR A 19 -2.830 4.782 40.327 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.522 4.355 37.971 1.00 0.00 C ATOM 0 H THR A 19 -4.933 2.013 38.957 1.00 0.00 H new ATOM 0 HA THR A 19 -5.176 4.793 39.795 1.00 0.00 H new ATOM 0 HB THR A 19 -3.044 2.917 39.460 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.862 4.685 40.443 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.449 4.247 38.130 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.834 3.709 37.150 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.750 5.392 37.723 1.00 0.00 H new ATOM 206 N THR A 20 -5.410 5.939 37.591 1.00 0.00 N ATOM 207 CA THR A 20 -5.701 6.590 36.320 1.00 0.00 C ATOM 208 C THR A 20 -5.350 8.073 36.368 1.00 0.00 C ATOM 209 O THR A 20 -4.229 8.466 36.047 1.00 0.00 O ATOM 210 CB THR A 20 -7.186 6.438 35.938 1.00 0.00 C ATOM 211 OG1 THR A 20 -8.017 6.904 37.006 1.00 0.00 O ATOM 212 CG2 THR A 20 -7.519 4.987 35.626 1.00 0.00 C ATOM 0 H THR A 20 -5.495 6.547 38.406 1.00 0.00 H new ATOM 0 HA THR A 20 -5.087 6.098 35.566 1.00 0.00 H new ATOM 0 HB THR A 20 -7.372 7.037 35.046 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.704 7.504 36.648 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.573 4.905 35.359 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.906 4.644 34.793 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.318 4.371 36.502 1.00 0.00 H new ATOM 220 N TYR A 21 -6.315 8.891 36.772 1.00 0.00 N ATOM 221 CA TYR A 21 -6.108 10.332 36.861 1.00 0.00 C ATOM 222 C TYR A 21 -5.967 10.773 38.315 1.00 0.00 C ATOM 223 O TYR A 21 -4.953 11.351 38.704 1.00 0.00 O ATOM 224 CB TYR A 21 -7.269 11.077 36.201 1.00 0.00 C ATOM 225 CG TYR A 21 -6.831 12.079 35.157 1.00 0.00 C ATOM 226 CD1 TYR A 21 -5.954 11.715 34.142 1.00 0.00 C ATOM 227 CD2 TYR A 21 -7.294 13.388 35.184 1.00 0.00 C ATOM 228 CE1 TYR A 21 -5.550 12.627 33.187 1.00 0.00 C ATOM 229 CE2 TYR A 21 -6.896 14.307 34.232 1.00 0.00 C ATOM 230 CZ TYR A 21 -6.024 13.922 33.236 1.00 0.00 C ATOM 231 OH TYR A 21 -5.625 14.833 32.285 1.00 0.00 O ATOM 0 H TYR A 21 -7.248 8.581 37.043 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.184 10.574 36.335 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.938 10.352 35.738 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.842 11.594 36.971 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.582 10.702 34.099 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.977 13.693 35.963 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.867 12.328 32.406 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.266 15.321 34.268 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.050 15.698 32.462 1.00 0.00 H new ATOM 241 N ASN A 22 -6.992 10.495 39.113 1.00 0.00 N ATOM 242 CA ASN A 22 -6.984 10.862 40.524 1.00 0.00 C ATOM 243 C ASN A 22 -6.921 12.377 40.692 1.00 0.00 C ATOM 244 O ASN A 22 -6.679 12.883 41.788 1.00 0.00 O ATOM 245 CB ASN A 22 -5.797 10.210 41.236 1.00 0.00 C ATOM 246 CG ASN A 22 -6.212 9.026 42.088 1.00 0.00 C ATOM 247 OD1 ASN A 22 -7.244 9.061 42.758 1.00 0.00 O ATOM 248 ND2 ASN A 22 -5.408 7.970 42.065 1.00 0.00 N ATOM 0 H ASN A 22 -7.839 10.017 38.807 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.910 10.502 40.972 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.068 9.883 40.495 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.303 10.951 41.865 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.636 7.143 42.618 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.562 7.985 41.495 1.00 0.00 H new ATOM 255 N LYS A 23 -7.142 13.097 39.597 1.00 0.00 N ATOM 256 CA LYS A 23 -7.113 14.555 39.621 1.00 0.00 C ATOM 257 C LYS A 23 -6.060 15.063 40.601 1.00 0.00 C ATOM 258 O LYS A 23 -6.237 16.104 41.233 1.00 0.00 O ATOM 259 CB LYS A 23 -8.489 15.107 40.003 1.00 0.00 C ATOM 260 CG LYS A 23 -9.616 14.105 39.826 1.00 0.00 C ATOM 261 CD LYS A 23 -10.977 14.771 39.942 1.00 0.00 C ATOM 262 CE LYS A 23 -11.584 14.564 41.321 1.00 0.00 C ATOM 263 NZ LYS A 23 -12.277 15.787 41.812 1.00 0.00 N ATOM 0 H LYS A 23 -7.343 12.694 38.682 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.852 14.904 38.622 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.464 15.434 41.043 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.699 15.988 39.397 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.527 13.624 38.852 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.528 13.321 40.578 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.879 15.838 39.743 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.647 14.366 39.184 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.291 13.735 41.286 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.800 14.284 42.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.677 15.605 42.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.597 16.572 41.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.042 16.040 41.155 1.00 0.00 H new ATOM 277 N HIS A 24 -4.964 14.321 40.721 1.00 0.00 N ATOM 278 CA HIS A 24 -3.881 14.697 41.623 1.00 0.00 C ATOM 279 C HIS A 24 -2.657 13.814 41.400 1.00 0.00 C ATOM 280 O HIS A 24 -1.541 14.312 41.244 1.00 0.00 O ATOM 281 CB HIS A 24 -4.341 14.594 43.077 1.00 0.00 C ATOM 282 CG HIS A 24 -4.090 15.837 43.874 1.00 0.00 C ATOM 283 ND1 HIS A 24 -3.113 15.925 44.843 1.00 0.00 N ATOM 284 CD2 HIS A 24 -4.696 17.047 43.841 1.00 0.00 C ATOM 285 CE1 HIS A 24 -3.129 17.135 45.372 1.00 0.00 C ATOM 286 NE2 HIS A 24 -4.080 17.836 44.781 1.00 0.00 N ATOM 0 H HIS A 24 -4.802 13.456 40.205 1.00 0.00 H new ATOM 0 HA HIS A 24 -3.606 15.730 41.410 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.407 14.369 43.097 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.829 13.758 43.553 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.512 17.338 43.196 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.476 17.491 46.155 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.318 18.806 44.989 1.00 0.00 H new ATOM 294 N ILE A 25 -2.873 12.503 41.387 1.00 0.00 N ATOM 295 CA ILE A 25 -1.788 11.552 41.183 1.00 0.00 C ATOM 296 C ILE A 25 -1.152 11.730 39.809 1.00 0.00 C ATOM 297 O ILE A 25 -1.849 11.892 38.808 1.00 0.00 O ATOM 298 CB ILE A 25 -2.278 10.099 41.326 1.00 0.00 C ATOM 299 CG1 ILE A 25 -1.350 9.314 42.255 1.00 0.00 C ATOM 300 CG2 ILE A 25 -2.359 9.431 39.962 1.00 0.00 C ATOM 301 CD1 ILE A 25 -1.973 8.051 42.806 1.00 0.00 C ATOM 0 H ILE A 25 -3.790 12.075 41.515 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.044 11.753 41.954 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.276 10.109 41.764 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.441 9.054 41.712 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.053 9.955 43.085 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.707 8.405 40.080 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.056 9.980 39.329 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.372 9.429 39.499 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.258 7.546 43.456 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.866 8.305 43.377 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.244 7.390 41.983 1.00 0.00 H new ATOM 313 N ASN A 26 0.176 11.696 39.768 1.00 0.00 N ATOM 314 CA ASN A 26 0.906 11.851 38.515 1.00 0.00 C ATOM 315 C ASN A 26 1.750 10.615 38.220 1.00 0.00 C ATOM 316 O ASN A 26 2.591 10.626 37.320 1.00 0.00 O ATOM 317 CB ASN A 26 1.801 13.091 38.573 1.00 0.00 C ATOM 318 CG ASN A 26 1.522 13.949 39.792 1.00 0.00 C ATOM 319 OD1 ASN A 26 1.055 15.082 39.673 1.00 0.00 O ATOM 320 ND2 ASN A 26 1.807 13.411 40.972 1.00 0.00 N ATOM 0 H ASN A 26 0.768 11.563 40.588 1.00 0.00 H new ATOM 0 HA ASN A 26 0.179 11.972 37.712 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.846 12.781 38.582 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.652 13.686 37.672 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.640 13.941 41.828 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.193 12.468 41.023 1.00 0.00 H new ATOM 327 N ILE A 27 1.519 9.552 38.983 1.00 0.00 N ATOM 328 CA ILE A 27 2.257 8.308 38.802 1.00 0.00 C ATOM 329 C ILE A 27 2.584 8.072 37.332 1.00 0.00 C ATOM 330 O ILE A 27 1.837 8.484 36.445 1.00 0.00 O ATOM 331 CB ILE A 27 1.466 7.101 39.341 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.921 6.758 40.761 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.636 5.902 38.420 1.00 0.00 C ATOM 334 CD1 ILE A 27 1.028 5.753 41.455 1.00 0.00 C ATOM 0 H ILE A 27 0.827 9.527 39.732 1.00 0.00 H new ATOM 0 HA ILE A 27 3.184 8.406 39.367 1.00 0.00 H new ATOM 0 HB ILE A 27 0.408 7.363 39.372 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.937 6.364 40.723 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.955 7.672 41.354 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.071 5.057 38.814 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.267 6.152 37.425 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.691 5.636 38.360 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.410 5.557 42.457 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.016 6.152 41.525 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.013 4.824 40.884 1.00 0.00 H new ATOM 346 N SER A 28 3.705 7.403 37.081 1.00 0.00 N ATOM 347 CA SER A 28 4.133 7.113 35.717 1.00 0.00 C ATOM 348 C SER A 28 3.497 5.822 35.211 1.00 0.00 C ATOM 349 O SER A 28 2.836 5.106 35.963 1.00 0.00 O ATOM 350 CB SER A 28 5.658 7.004 35.651 1.00 0.00 C ATOM 351 OG SER A 28 6.092 6.724 34.331 1.00 0.00 O ATOM 0 H SER A 28 4.333 7.052 37.804 1.00 0.00 H new ATOM 0 HA SER A 28 3.806 7.933 35.078 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.108 7.935 35.995 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.999 6.217 36.324 1.00 0.00 H new ATOM 0 HG SER A 28 6.779 6.026 34.354 1.00 0.00 H new ATOM 357 N PHE A 29 3.701 5.531 33.931 1.00 0.00 N ATOM 358 CA PHE A 29 3.147 4.327 33.322 1.00 0.00 C ATOM 359 C PHE A 29 4.245 3.496 32.665 1.00 0.00 C ATOM 360 O PHE A 29 4.783 3.869 31.622 1.00 0.00 O ATOM 361 CB PHE A 29 2.083 4.697 32.287 1.00 0.00 C ATOM 362 CG PHE A 29 2.652 5.279 31.025 1.00 0.00 C ATOM 363 CD1 PHE A 29 3.210 6.548 31.021 1.00 0.00 C ATOM 364 CD2 PHE A 29 2.628 4.559 29.841 1.00 0.00 C ATOM 365 CE1 PHE A 29 3.733 7.086 29.861 1.00 0.00 C ATOM 366 CE2 PHE A 29 3.150 5.092 28.678 1.00 0.00 C ATOM 367 CZ PHE A 29 3.705 6.357 28.688 1.00 0.00 C ATOM 0 H PHE A 29 4.246 6.113 33.295 1.00 0.00 H new ATOM 0 HA PHE A 29 2.686 3.730 34.109 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.504 3.807 32.039 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.391 5.414 32.729 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.236 7.123 31.935 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.196 3.569 29.827 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.164 8.076 29.871 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.124 4.520 27.762 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.116 6.775 27.781 1.00 0.00 H new ATOM 377 N HIS A 30 4.574 2.366 33.284 1.00 0.00 N ATOM 378 CA HIS A 30 5.607 1.480 32.760 1.00 0.00 C ATOM 379 C HIS A 30 5.011 0.142 32.333 1.00 0.00 C ATOM 380 O HIS A 30 4.672 -0.693 33.171 1.00 0.00 O ATOM 381 CB HIS A 30 6.695 1.254 33.810 1.00 0.00 C ATOM 382 CG HIS A 30 7.501 2.481 34.111 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.500 2.947 33.283 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.449 3.339 35.157 1.00 0.00 C ATOM 385 CE1 HIS A 30 9.029 4.039 33.807 1.00 0.00 C ATOM 386 NE2 HIS A 30 8.409 4.298 34.944 1.00 0.00 N ATOM 0 H HIS A 30 4.140 2.043 34.149 1.00 0.00 H new ATOM 0 HA HIS A 30 6.049 1.956 31.885 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.232 0.899 34.731 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.364 0.466 33.465 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.778 3.280 36.001 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.832 4.621 33.378 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.610 5.083 35.563 1.00 0.00 H new ATOM 394 N ARG A 31 4.885 -0.053 31.024 1.00 0.00 N ATOM 395 CA ARG A 31 4.328 -1.288 30.486 1.00 0.00 C ATOM 396 C ARG A 31 5.101 -2.501 30.996 1.00 0.00 C ATOM 397 O ARG A 31 5.994 -2.373 31.834 1.00 0.00 O ATOM 398 CB ARG A 31 4.354 -1.260 28.956 1.00 0.00 C ATOM 399 CG ARG A 31 5.732 -1.513 28.366 1.00 0.00 C ATOM 400 CD ARG A 31 6.059 -0.514 27.267 1.00 0.00 C ATOM 401 NE ARG A 31 6.601 -1.166 26.078 1.00 0.00 N ATOM 402 CZ ARG A 31 7.225 -0.514 25.103 1.00 0.00 C ATOM 403 NH1 ARG A 31 7.385 0.800 25.176 1.00 0.00 N ATOM 404 NH2 ARG A 31 7.691 -1.178 24.053 1.00 0.00 N ATOM 0 H ARG A 31 5.161 0.628 30.317 1.00 0.00 H new ATOM 0 HA ARG A 31 3.295 -1.369 30.824 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.662 -2.011 28.575 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.993 -0.290 28.612 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.483 -1.449 29.153 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.777 -2.525 27.964 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.158 0.038 26.999 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.779 0.214 27.641 1.00 0.00 H new ATOM 0 HE ARG A 31 6.495 -2.177 25.991 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.029 1.313 25.982 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.865 1.298 24.426 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.570 -2.189 23.994 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.170 -0.677 23.305 1.00 0.00 H new ATOM 418 N PHE A 32 4.750 -3.677 30.487 1.00 0.00 N ATOM 419 CA PHE A 32 5.408 -4.913 30.892 1.00 0.00 C ATOM 420 C PHE A 32 6.740 -5.083 30.166 1.00 0.00 C ATOM 421 O PHE A 32 6.956 -4.547 29.079 1.00 0.00 O ATOM 422 CB PHE A 32 4.504 -6.114 30.610 1.00 0.00 C ATOM 423 CG PHE A 32 3.329 -6.211 31.541 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.413 -5.176 31.632 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.140 -7.338 32.325 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.332 -5.262 32.489 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.061 -7.431 33.183 1.00 0.00 C ATOM 428 CZ PHE A 32 1.155 -6.392 33.264 1.00 0.00 C ATOM 0 H PHE A 32 4.013 -3.800 29.793 1.00 0.00 H new ATOM 0 HA PHE A 32 5.602 -4.857 31.963 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.141 -6.052 29.584 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.093 -7.028 30.685 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.545 -4.292 31.026 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.845 -8.154 32.265 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.626 -4.447 32.553 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.926 -8.315 33.789 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.309 -6.463 33.932 1.00 0.00 H new ATOM 438 N PRO A 33 7.655 -5.847 30.781 1.00 0.00 N ATOM 439 CA PRO A 33 8.981 -6.106 30.212 1.00 0.00 C ATOM 440 C PRO A 33 8.918 -7.002 28.980 1.00 0.00 C ATOM 441 O PRO A 33 8.180 -7.987 28.953 1.00 0.00 O ATOM 442 CB PRO A 33 9.723 -6.812 31.349 1.00 0.00 C ATOM 443 CG PRO A 33 8.650 -7.439 32.170 1.00 0.00 C ATOM 444 CD PRO A 33 7.466 -6.516 32.079 1.00 0.00 C ATOM 0 HA PRO A 33 9.465 -5.190 29.873 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.416 -7.561 30.965 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.310 -6.106 31.937 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.401 -8.431 31.794 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.971 -7.561 33.204 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.525 -7.065 32.115 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.450 -5.801 32.901 1.00 0.00 H new ATOM 452 N LEU A 34 9.697 -6.654 27.961 1.00 0.00 N ATOM 453 CA LEU A 34 9.730 -7.428 26.725 1.00 0.00 C ATOM 454 C LEU A 34 10.441 -8.761 26.936 1.00 0.00 C ATOM 455 O LEU A 34 10.318 -9.677 26.123 1.00 0.00 O ATOM 456 CB LEU A 34 10.430 -6.633 25.621 1.00 0.00 C ATOM 457 CG LEU A 34 9.783 -5.300 25.242 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.319 -5.281 25.651 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.533 -4.142 25.884 1.00 0.00 C ATOM 0 H LEU A 34 10.314 -5.842 27.967 1.00 0.00 H new ATOM 0 HA LEU A 34 8.702 -7.629 26.424 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.456 -6.440 25.934 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.481 -7.256 24.728 1.00 0.00 H new ATOM 0 HG LEU A 34 9.837 -5.187 24.159 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.876 -4.325 25.373 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.789 -6.087 25.144 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.241 -5.417 26.730 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.059 -3.201 25.604 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.511 -4.251 26.968 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.567 -4.143 25.541 1.00 0.00 H new ATOM 471 N ASP A 35 11.184 -8.862 28.033 1.00 0.00 N ATOM 472 CA ASP A 35 11.912 -10.084 28.353 1.00 0.00 C ATOM 473 C ASP A 35 10.974 -11.143 28.922 1.00 0.00 C ATOM 474 O ASP A 35 10.029 -10.843 29.652 1.00 0.00 O ATOM 475 CB ASP A 35 13.033 -9.789 29.351 1.00 0.00 C ATOM 476 CG ASP A 35 14.337 -10.465 28.975 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.718 -10.400 27.787 1.00 0.00 O ATOM 478 OD2 ASP A 35 14.976 -11.058 29.869 1.00 0.00 O ATOM 0 H ASP A 35 11.298 -8.112 28.715 1.00 0.00 H new ATOM 0 HA ASP A 35 12.348 -10.469 27.431 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.189 -8.712 29.409 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.728 -10.121 30.344 1.00 0.00 H new ATOM 483 N PRO A 36 11.237 -12.413 28.579 1.00 0.00 N ATOM 484 CA PRO A 36 10.427 -13.543 29.045 1.00 0.00 C ATOM 485 C PRO A 36 10.601 -13.806 30.537 1.00 0.00 C ATOM 486 O PRO A 36 9.661 -14.214 31.220 1.00 0.00 O ATOM 487 CB PRO A 36 10.961 -14.722 28.228 1.00 0.00 C ATOM 488 CG PRO A 36 12.357 -14.339 27.877 1.00 0.00 C ATOM 489 CD PRO A 36 12.347 -12.844 27.713 1.00 0.00 C ATOM 0 HA PRO A 36 9.360 -13.362 28.912 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.937 -15.646 28.805 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.360 -14.889 27.334 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.053 -14.641 28.659 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.677 -14.830 26.958 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.293 -12.400 28.022 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.182 -12.555 26.675 1.00 0.00 H new ATOM 497 N LYS A 37 11.808 -13.569 31.037 1.00 0.00 N ATOM 498 CA LYS A 37 12.106 -13.778 32.449 1.00 0.00 C ATOM 499 C LYS A 37 11.236 -12.884 33.327 1.00 0.00 C ATOM 500 O LYS A 37 10.703 -13.327 34.345 1.00 0.00 O ATOM 501 CB LYS A 37 13.585 -13.498 32.727 1.00 0.00 C ATOM 502 CG LYS A 37 14.520 -14.546 32.149 1.00 0.00 C ATOM 503 CD LYS A 37 15.501 -13.935 31.163 1.00 0.00 C ATOM 504 CE LYS A 37 16.312 -15.005 30.448 1.00 0.00 C ATOM 505 NZ LYS A 37 17.773 -14.717 30.493 1.00 0.00 N ATOM 0 H LYS A 37 12.597 -13.232 30.485 1.00 0.00 H new ATOM 0 HA LYS A 37 11.888 -14.818 32.690 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.846 -12.523 32.315 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.739 -13.440 33.804 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.069 -15.030 32.957 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.937 -15.320 31.651 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.958 -13.338 30.430 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.174 -13.258 31.690 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.119 -15.974 30.907 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.987 -15.074 29.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.291 -15.469 29.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.961 -13.804 30.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.089 -14.677 31.483 1.00 0.00 H new ATOM 519 N ARG A 38 11.094 -11.625 32.925 1.00 0.00 N ATOM 520 CA ARG A 38 10.288 -10.670 33.675 1.00 0.00 C ATOM 521 C ARG A 38 8.827 -10.728 33.237 1.00 0.00 C ATOM 522 O ARG A 38 7.923 -10.823 34.067 1.00 0.00 O ATOM 523 CB ARG A 38 10.831 -9.252 33.487 1.00 0.00 C ATOM 524 CG ARG A 38 12.336 -9.147 33.676 1.00 0.00 C ATOM 525 CD ARG A 38 12.727 -9.307 35.136 1.00 0.00 C ATOM 526 NE ARG A 38 14.162 -9.130 35.342 1.00 0.00 N ATOM 527 CZ ARG A 38 15.072 -10.028 34.982 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.698 -11.160 34.401 1.00 0.00 N ATOM 529 NH2 ARG A 38 16.360 -9.795 35.202 1.00 0.00 N ATOM 0 H ARG A 38 11.527 -11.243 32.084 1.00 0.00 H new ATOM 0 HA ARG A 38 10.344 -10.937 34.730 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.573 -8.903 32.487 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.337 -8.586 34.194 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.833 -9.912 33.079 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.683 -8.181 33.309 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.182 -8.580 35.739 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.430 -10.296 35.484 1.00 0.00 H new ATOM 0 HE ARG A 38 14.483 -8.270 35.787 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.709 -11.343 34.230 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.399 -11.848 34.126 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.652 -8.925 35.648 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.058 -10.486 34.925 1.00 0.00 H new ATOM 543 N ARG A 39 8.605 -10.670 31.928 1.00 0.00 N ATOM 544 CA ARG A 39 7.255 -10.715 31.379 1.00 0.00 C ATOM 545 C ARG A 39 6.372 -11.662 32.186 1.00 0.00 C ATOM 546 O ARG A 39 5.295 -11.283 32.647 1.00 0.00 O ATOM 547 CB ARG A 39 7.291 -11.156 29.915 1.00 0.00 C ATOM 548 CG ARG A 39 5.914 -11.381 29.313 1.00 0.00 C ATOM 549 CD ARG A 39 5.890 -12.611 28.419 1.00 0.00 C ATOM 550 NE ARG A 39 6.080 -12.269 27.012 1.00 0.00 N ATOM 551 CZ ARG A 39 5.835 -13.109 26.013 1.00 0.00 C ATOM 552 NH1 ARG A 39 5.394 -14.334 26.264 1.00 0.00 N ATOM 553 NH2 ARG A 39 6.032 -12.725 24.758 1.00 0.00 N ATOM 0 H ARG A 39 9.343 -10.592 31.228 1.00 0.00 H new ATOM 0 HA ARG A 39 6.832 -9.712 31.438 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.815 -10.401 29.330 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.868 -12.077 29.836 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.181 -11.496 30.112 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.621 -10.504 28.735 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.672 -13.302 28.733 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.939 -13.129 28.541 1.00 0.00 H new ATOM 0 HE ARG A 39 6.419 -11.334 26.784 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.242 -14.634 27.227 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.207 -14.976 25.494 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.372 -11.784 24.560 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.844 -13.371 23.991 1.00 0.00 H new ATOM 567 N LYS A 40 6.834 -12.896 32.352 1.00 0.00 N ATOM 568 CA LYS A 40 6.088 -13.899 33.103 1.00 0.00 C ATOM 569 C LYS A 40 5.988 -13.513 34.575 1.00 0.00 C ATOM 570 O LYS A 40 4.946 -13.694 35.204 1.00 0.00 O ATOM 571 CB LYS A 40 6.756 -15.269 32.968 1.00 0.00 C ATOM 572 CG LYS A 40 6.827 -15.773 31.537 1.00 0.00 C ATOM 573 CD LYS A 40 5.638 -15.297 30.719 1.00 0.00 C ATOM 574 CE LYS A 40 4.326 -15.809 31.294 1.00 0.00 C ATOM 575 NZ LYS A 40 3.992 -17.170 30.790 1.00 0.00 N ATOM 0 H LYS A 40 7.723 -13.226 31.976 1.00 0.00 H new ATOM 0 HA LYS A 40 5.081 -13.951 32.690 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.766 -15.213 33.375 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.208 -15.992 33.572 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.751 -15.427 31.074 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.858 -16.863 31.535 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.625 -14.207 30.694 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.743 -15.638 29.689 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.390 -15.830 32.382 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.523 -15.119 31.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.091 -17.483 31.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.905 -17.145 29.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.746 -17.834 31.058 1.00 0.00 H new ATOM 589 N GLU A 41 7.078 -12.981 35.118 1.00 0.00 N ATOM 590 CA GLU A 41 7.112 -12.569 36.517 1.00 0.00 C ATOM 591 C GLU A 41 6.030 -11.532 36.805 1.00 0.00 C ATOM 592 O GLU A 41 5.224 -11.699 37.720 1.00 0.00 O ATOM 593 CB GLU A 41 8.487 -11.999 36.871 1.00 0.00 C ATOM 594 CG GLU A 41 9.513 -13.062 37.225 1.00 0.00 C ATOM 595 CD GLU A 41 9.043 -14.463 36.886 1.00 0.00 C ATOM 596 OE1 GLU A 41 8.993 -14.798 35.684 1.00 0.00 O ATOM 597 OE2 GLU A 41 8.724 -15.225 37.823 1.00 0.00 O ATOM 0 H GLU A 41 7.949 -12.825 34.611 1.00 0.00 H new ATOM 0 HA GLU A 41 6.922 -13.448 37.133 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.857 -11.415 36.028 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.381 -11.313 37.712 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.442 -12.856 36.693 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.736 -13.006 38.290 1.00 0.00 H new ATOM 604 N TRP A 42 6.020 -10.463 36.017 1.00 0.00 N ATOM 605 CA TRP A 42 5.037 -9.398 36.188 1.00 0.00 C ATOM 606 C TRP A 42 3.621 -9.962 36.212 1.00 0.00 C ATOM 607 O TRP A 42 2.797 -9.563 37.035 1.00 0.00 O ATOM 608 CB TRP A 42 5.170 -8.369 35.064 1.00 0.00 C ATOM 609 CG TRP A 42 6.358 -7.468 35.221 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.633 -7.840 35.536 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.378 -6.044 35.074 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.446 -6.734 35.592 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.700 -5.619 35.312 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.410 -5.086 34.761 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.074 -4.280 35.248 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.782 -3.757 34.699 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.105 -3.364 34.940 1.00 0.00 C ATOM 0 H TRP A 42 6.680 -10.310 35.254 1.00 0.00 H new ATOM 0 HA TRP A 42 5.229 -8.910 37.143 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.242 -8.891 34.110 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.265 -7.762 35.028 1.00 0.00 H new ATOM 0 HD1 TRP A 42 7.955 -8.855 35.715 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.443 -6.741 35.807 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.388 -5.380 34.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.093 -3.975 35.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.041 -3.009 34.461 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.365 -2.317 34.882 1.00 0.00 H new ATOM 628 N VAL A 43 3.344 -10.893 35.304 1.00 0.00 N ATOM 629 CA VAL A 43 2.027 -11.513 35.222 1.00 0.00 C ATOM 630 C VAL A 43 1.832 -12.538 36.334 1.00 0.00 C ATOM 631 O VAL A 43 0.710 -12.786 36.775 1.00 0.00 O ATOM 632 CB VAL A 43 1.814 -12.202 33.861 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.377 -12.682 33.724 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.181 -11.260 32.725 1.00 0.00 C ATOM 0 H VAL A 43 4.014 -11.234 34.615 1.00 0.00 H new ATOM 0 HA VAL A 43 1.294 -10.714 35.335 1.00 0.00 H new ATOM 0 HB VAL A 43 2.468 -13.072 33.807 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.246 -13.166 32.756 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.154 -13.394 34.519 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.300 -11.831 33.799 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.025 -11.763 31.771 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.554 -10.370 32.773 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.228 -10.971 32.816 1.00 0.00 H new ATOM 644 N ARG A 44 2.933 -13.131 36.784 1.00 0.00 N ATOM 645 CA ARG A 44 2.884 -14.130 37.845 1.00 0.00 C ATOM 646 C ARG A 44 2.752 -13.466 39.212 1.00 0.00 C ATOM 647 O ARG A 44 2.270 -14.076 40.167 1.00 0.00 O ATOM 648 CB ARG A 44 4.139 -15.004 37.810 1.00 0.00 C ATOM 649 CG ARG A 44 4.661 -15.376 39.189 1.00 0.00 C ATOM 650 CD ARG A 44 3.677 -16.262 39.936 1.00 0.00 C ATOM 651 NE ARG A 44 4.175 -17.627 40.086 1.00 0.00 N ATOM 652 CZ ARG A 44 5.231 -17.948 40.825 1.00 0.00 C ATOM 653 NH1 ARG A 44 5.897 -17.006 41.479 1.00 0.00 N ATOM 654 NH2 ARG A 44 5.623 -19.212 40.912 1.00 0.00 N ATOM 0 H ARG A 44 3.870 -12.937 36.430 1.00 0.00 H new ATOM 0 HA ARG A 44 2.008 -14.757 37.679 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.921 -15.916 37.255 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.922 -14.479 37.264 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.616 -15.893 39.091 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.847 -14.470 39.766 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.482 -15.837 40.921 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.727 -16.279 39.402 1.00 0.00 H new ATOM 0 HE ARG A 44 3.685 -18.375 39.596 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.599 -16.033 41.415 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.708 -17.255 42.046 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.113 -19.940 40.411 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.434 -19.456 41.480 1.00 0.00 H new ATOM 668 N LEU A 45 3.183 -12.212 39.299 1.00 0.00 N ATOM 669 CA LEU A 45 3.114 -11.464 40.549 1.00 0.00 C ATOM 670 C LEU A 45 1.765 -10.766 40.692 1.00 0.00 C ATOM 671 O LEU A 45 1.181 -10.736 41.776 1.00 0.00 O ATOM 672 CB LEU A 45 4.243 -10.434 40.614 1.00 0.00 C ATOM 673 CG LEU A 45 5.662 -10.998 40.703 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.629 -10.141 39.901 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.108 -11.091 42.155 1.00 0.00 C ATOM 0 H LEU A 45 3.584 -11.692 38.518 1.00 0.00 H new ATOM 0 HA LEU A 45 3.227 -12.170 41.372 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.180 -9.800 39.730 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.073 -9.793 41.479 1.00 0.00 H new ATOM 0 HG LEU A 45 5.661 -12.002 40.278 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.633 -10.558 39.976 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.320 -10.125 38.856 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.628 -9.125 40.295 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.120 -11.494 42.200 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.093 -10.098 42.605 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.431 -11.747 42.702 1.00 0.00 H new ATOM 687 N VAL A 46 1.274 -10.207 39.591 1.00 0.00 N ATOM 688 CA VAL A 46 -0.008 -9.513 39.592 1.00 0.00 C ATOM 689 C VAL A 46 -1.164 -10.493 39.754 1.00 0.00 C ATOM 690 O VAL A 46 -2.278 -10.103 40.104 1.00 0.00 O ATOM 691 CB VAL A 46 -0.211 -8.706 38.295 1.00 0.00 C ATOM 692 CG1 VAL A 46 -0.004 -9.593 37.077 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.593 -8.071 38.274 1.00 0.00 C ATOM 0 H VAL A 46 1.745 -10.221 38.686 1.00 0.00 H new ATOM 0 HA VAL A 46 0.004 -8.828 40.439 1.00 0.00 H new ATOM 0 HB VAL A 46 0.531 -7.908 38.264 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.151 -9.006 36.170 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.009 -9.996 37.088 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.721 -10.414 37.099 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.719 -7.505 37.351 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.353 -8.851 38.328 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.699 -7.402 39.128 1.00 0.00 H new ATOM 703 N ARG A 47 -0.892 -11.768 39.497 1.00 0.00 N ATOM 704 CA ARG A 47 -1.909 -12.806 39.614 1.00 0.00 C ATOM 705 C ARG A 47 -3.271 -12.285 39.161 1.00 0.00 C ATOM 706 O ARG A 47 -4.077 -11.836 39.976 1.00 0.00 O ATOM 707 CB ARG A 47 -1.997 -13.304 41.057 1.00 0.00 C ATOM 708 CG ARG A 47 -0.947 -12.700 41.975 1.00 0.00 C ATOM 709 CD ARG A 47 -0.894 -13.422 43.312 1.00 0.00 C ATOM 710 NE ARG A 47 -0.405 -14.791 43.176 1.00 0.00 N ATOM 711 CZ ARG A 47 0.883 -15.110 43.123 1.00 0.00 C ATOM 712 NH1 ARG A 47 1.807 -14.163 43.194 1.00 0.00 N ATOM 713 NH2 ARG A 47 1.249 -16.380 42.998 1.00 0.00 N ATOM 0 H ARG A 47 0.025 -12.107 39.206 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.622 -13.635 38.968 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.987 -13.075 41.452 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.893 -14.389 41.065 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.030 -12.750 41.494 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.168 -11.645 42.138 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.247 -12.872 43.995 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.889 -13.435 43.757 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.091 -15.544 43.119 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.530 -13.186 43.290 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.796 -14.411 43.153 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.541 -17.112 42.943 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.239 -16.624 42.957 1.00 0.00 H new ATOM 727 N ARG A 48 -3.519 -12.348 37.857 1.00 0.00 N ATOM 728 CA ARG A 48 -4.781 -11.882 37.296 1.00 0.00 C ATOM 729 C ARG A 48 -5.195 -12.738 36.102 1.00 0.00 C ATOM 730 O ARG A 48 -4.808 -12.467 34.966 1.00 0.00 O ATOM 731 CB ARG A 48 -4.664 -10.417 36.870 1.00 0.00 C ATOM 732 CG ARG A 48 -5.155 -9.436 37.922 1.00 0.00 C ATOM 733 CD ARG A 48 -5.830 -8.230 37.287 1.00 0.00 C ATOM 734 NE ARG A 48 -7.263 -8.441 37.098 1.00 0.00 N ATOM 735 CZ ARG A 48 -8.059 -7.573 36.485 1.00 0.00 C ATOM 736 NH1 ARG A 48 -7.564 -6.441 36.003 1.00 0.00 N ATOM 737 NH2 ARG A 48 -9.352 -7.836 36.352 1.00 0.00 N ATOM 0 H ARG A 48 -2.862 -12.717 37.169 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.547 -11.970 38.067 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.622 -10.197 36.638 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.233 -10.268 35.952 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.856 -9.937 38.589 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.315 -9.105 38.532 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.672 -7.354 37.916 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.365 -8.019 36.324 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.675 -9.303 37.457 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.570 -6.236 36.103 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.177 -5.776 35.532 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.736 -8.706 36.721 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.962 -7.168 35.881 1.00 0.00 H new ATOM 751 N LYS A 49 -5.983 -13.774 36.369 1.00 0.00 N ATOM 752 CA LYS A 49 -6.451 -14.670 35.319 1.00 0.00 C ATOM 753 C LYS A 49 -5.300 -15.092 34.411 1.00 0.00 C ATOM 754 O LYS A 49 -5.489 -15.311 33.215 1.00 0.00 O ATOM 755 CB LYS A 49 -7.545 -13.992 34.491 1.00 0.00 C ATOM 756 CG LYS A 49 -8.695 -13.455 35.326 1.00 0.00 C ATOM 757 CD LYS A 49 -9.753 -12.794 34.459 1.00 0.00 C ATOM 758 CE LYS A 49 -9.250 -11.485 33.867 1.00 0.00 C ATOM 759 NZ LYS A 49 -10.359 -10.675 33.293 1.00 0.00 N ATOM 0 H LYS A 49 -6.311 -14.014 37.305 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.862 -15.561 35.793 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.104 -13.172 33.924 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.936 -14.706 33.766 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.145 -14.270 35.893 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.315 -12.735 36.050 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.041 -13.471 33.655 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.647 -12.606 35.054 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.741 -10.909 34.640 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.515 -11.696 33.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.976 -9.792 32.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.829 -11.215 32.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.048 -10.452 34.039 1.00 0.00 H new ATOM 773 N ASN A 50 -4.109 -15.206 34.988 1.00 0.00 N ATOM 774 CA ASN A 50 -2.927 -15.603 34.231 1.00 0.00 C ATOM 775 C ASN A 50 -2.918 -14.946 32.854 1.00 0.00 C ATOM 776 O ASN A 50 -2.394 -15.505 31.891 1.00 0.00 O ATOM 777 CB ASN A 50 -2.879 -17.125 34.082 1.00 0.00 C ATOM 778 CG ASN A 50 -3.047 -17.841 35.408 1.00 0.00 C ATOM 779 OD1 ASN A 50 -2.261 -17.645 36.336 1.00 0.00 O ATOM 780 ND2 ASN A 50 -4.074 -18.677 35.503 1.00 0.00 N ATOM 0 H ASN A 50 -3.936 -15.029 35.978 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.046 -15.270 34.779 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.664 -17.445 33.397 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.928 -17.414 33.634 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.237 -19.188 36.371 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.700 -18.808 34.708 1.00 0.00 H new ATOM 787 N PHE A 51 -3.500 -13.754 32.769 1.00 0.00 N ATOM 788 CA PHE A 51 -3.559 -13.020 31.510 1.00 0.00 C ATOM 789 C PHE A 51 -2.167 -12.860 30.908 1.00 0.00 C ATOM 790 O PHE A 51 -1.194 -13.426 31.406 1.00 0.00 O ATOM 791 CB PHE A 51 -4.195 -11.645 31.727 1.00 0.00 C ATOM 792 CG PHE A 51 -3.195 -10.525 31.782 1.00 0.00 C ATOM 793 CD1 PHE A 51 -2.453 -10.297 32.930 1.00 0.00 C ATOM 794 CD2 PHE A 51 -2.998 -9.700 30.686 1.00 0.00 C ATOM 795 CE1 PHE A 51 -1.532 -9.267 32.984 1.00 0.00 C ATOM 796 CE2 PHE A 51 -2.079 -8.670 30.734 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.346 -8.452 31.885 1.00 0.00 C ATOM 0 H PHE A 51 -3.937 -13.276 33.557 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.173 -13.591 30.813 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.904 -11.450 30.922 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.764 -11.659 32.656 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.596 -10.931 33.792 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.569 -9.864 29.784 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.959 -9.100 33.884 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.933 -8.035 29.872 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.629 -7.645 31.925 1.00 0.00 H new ATOM 807 N VAL A 52 -2.079 -12.086 29.832 1.00 0.00 N ATOM 808 CA VAL A 52 -0.807 -11.850 29.160 1.00 0.00 C ATOM 809 C VAL A 52 -0.672 -10.393 28.733 1.00 0.00 C ATOM 810 O VAL A 52 -1.646 -9.734 28.369 1.00 0.00 O ATOM 811 CB VAL A 52 -0.650 -12.753 27.922 1.00 0.00 C ATOM 812 CG1 VAL A 52 -0.179 -11.941 26.725 1.00 0.00 C ATOM 813 CG2 VAL A 52 0.313 -13.894 28.214 1.00 0.00 C ATOM 0 H VAL A 52 -2.875 -11.611 29.406 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.022 -12.089 29.877 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.623 -13.181 27.680 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.074 -12.596 25.860 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.909 -11.162 26.504 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.783 -11.483 26.952 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.412 -14.522 27.329 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.288 -13.487 28.482 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.071 -14.491 29.041 1.00 0.00 H new ATOM 823 N PRO A 53 0.564 -9.875 28.779 1.00 0.00 N ATOM 824 CA PRO A 53 0.857 -8.489 28.399 1.00 0.00 C ATOM 825 C PRO A 53 0.708 -8.256 26.900 1.00 0.00 C ATOM 826 O PRO A 53 0.104 -9.061 26.193 1.00 0.00 O ATOM 827 CB PRO A 53 2.315 -8.305 28.827 1.00 0.00 C ATOM 828 CG PRO A 53 2.892 -9.678 28.810 1.00 0.00 C ATOM 829 CD PRO A 53 1.772 -10.602 29.203 1.00 0.00 C ATOM 0 HA PRO A 53 0.169 -7.784 28.866 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.848 -7.644 28.144 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.383 -7.860 29.819 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.275 -9.928 27.821 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.727 -9.759 29.506 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.855 -11.568 28.705 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.769 -10.796 30.276 1.00 0.00 H new ATOM 837 N GLY A 54 1.263 -7.146 26.420 1.00 0.00 N ATOM 838 CA GLY A 54 1.180 -6.827 25.007 1.00 0.00 C ATOM 839 C GLY A 54 0.009 -5.921 24.684 1.00 0.00 C ATOM 840 O GLY A 54 -0.714 -6.149 23.714 1.00 0.00 O ATOM 0 H GLY A 54 1.768 -6.463 26.985 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.106 -6.345 24.692 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.090 -7.750 24.434 1.00 0.00 H new ATOM 844 N LYS A 55 -0.182 -4.890 25.501 1.00 0.00 N ATOM 845 CA LYS A 55 -1.275 -3.946 25.299 1.00 0.00 C ATOM 846 C LYS A 55 -1.240 -2.841 26.350 1.00 0.00 C ATOM 847 O LYS A 55 -0.308 -2.761 27.151 1.00 0.00 O ATOM 848 CB LYS A 55 -2.621 -4.673 25.352 1.00 0.00 C ATOM 849 CG LYS A 55 -3.364 -4.676 24.027 1.00 0.00 C ATOM 850 CD LYS A 55 -4.802 -5.135 24.195 1.00 0.00 C ATOM 851 CE LYS A 55 -5.768 -4.230 23.446 1.00 0.00 C ATOM 852 NZ LYS A 55 -7.174 -4.710 23.553 1.00 0.00 N ATOM 0 H LYS A 55 0.406 -4.687 26.309 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.153 -3.492 24.316 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.456 -5.703 25.669 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.248 -4.203 26.110 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.349 -3.674 23.598 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.852 -5.332 23.323 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.903 -6.157 23.831 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.060 -5.147 25.254 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.699 -3.217 23.843 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.480 -4.181 22.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.801 -4.067 23.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.246 -5.667 23.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.458 -4.733 24.553 1.00 0.00 H new ATOM 866 N HIS A 56 -2.262 -1.991 26.342 1.00 0.00 N ATOM 867 CA HIS A 56 -2.349 -0.891 27.296 1.00 0.00 C ATOM 868 C HIS A 56 -1.900 -1.339 28.684 1.00 0.00 C ATOM 869 O HIS A 56 -1.406 -0.538 29.478 1.00 0.00 O ATOM 870 CB HIS A 56 -3.779 -0.354 27.359 1.00 0.00 C ATOM 871 CG HIS A 56 -4.819 -1.380 27.030 1.00 0.00 C ATOM 872 ND1 HIS A 56 -5.796 -1.184 26.077 1.00 0.00 N ATOM 873 CD2 HIS A 56 -5.031 -2.619 27.533 1.00 0.00 C ATOM 874 CE1 HIS A 56 -6.564 -2.256 26.009 1.00 0.00 C ATOM 875 NE2 HIS A 56 -6.121 -3.142 26.882 1.00 0.00 N ATOM 0 H HIS A 56 -3.041 -2.043 25.686 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.685 -0.096 26.957 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.968 0.035 28.359 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.875 0.483 26.668 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.451 -3.105 28.303 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.411 -2.386 25.351 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.523 -4.065 27.046 1.00 0.00 H new ATOM 883 N THR A 57 -2.075 -2.626 28.971 1.00 0.00 N ATOM 884 CA THR A 57 -1.690 -3.180 30.263 1.00 0.00 C ATOM 885 C THR A 57 -0.419 -2.523 30.786 1.00 0.00 C ATOM 886 O THR A 57 0.623 -2.554 30.131 1.00 0.00 O ATOM 887 CB THR A 57 -1.470 -4.702 30.177 1.00 0.00 C ATOM 888 OG1 THR A 57 -2.152 -5.233 29.036 1.00 0.00 O ATOM 889 CG2 THR A 57 -1.968 -5.393 31.438 1.00 0.00 C ATOM 0 H THR A 57 -2.481 -3.304 28.326 1.00 0.00 H new ATOM 0 HA THR A 57 -2.510 -2.977 30.952 1.00 0.00 H new ATOM 0 HB THR A 57 -0.400 -4.886 30.078 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.005 -6.201 28.988 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.802 -6.467 31.354 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.426 -5.008 32.302 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.033 -5.199 31.563 1.00 0.00 H new ATOM 897 N PHE A 58 -0.511 -1.927 31.971 1.00 0.00 N ATOM 898 CA PHE A 58 0.633 -1.261 32.583 1.00 0.00 C ATOM 899 C PHE A 58 0.589 -1.391 34.102 1.00 0.00 C ATOM 900 O PHE A 58 -0.401 -1.857 34.669 1.00 0.00 O ATOM 901 CB PHE A 58 0.662 0.216 32.186 1.00 0.00 C ATOM 902 CG PHE A 58 0.316 1.146 33.313 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.305 1.641 34.149 1.00 0.00 C ATOM 904 CD2 PHE A 58 -0.997 1.525 33.538 1.00 0.00 C ATOM 905 CE1 PHE A 58 0.990 2.498 35.187 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.318 2.381 34.574 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.324 2.868 35.400 1.00 0.00 C ATOM 0 H PHE A 58 -1.366 -1.892 32.526 1.00 0.00 H new ATOM 0 HA PHE A 58 1.540 -1.745 32.221 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.656 0.464 31.813 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.037 0.377 31.365 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.333 1.354 33.987 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.779 1.147 32.896 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.770 2.878 35.830 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.346 2.669 34.738 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.573 3.537 36.211 1.00 0.00 H new ATOM 917 N LEU A 59 1.668 -0.977 34.757 1.00 0.00 N ATOM 918 CA LEU A 59 1.754 -1.046 36.212 1.00 0.00 C ATOM 919 C LEU A 59 2.307 0.254 36.787 1.00 0.00 C ATOM 920 O LEU A 59 3.258 0.827 36.253 1.00 0.00 O ATOM 921 CB LEU A 59 2.639 -2.221 36.634 1.00 0.00 C ATOM 922 CG LEU A 59 1.970 -3.596 36.638 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.853 -4.616 37.340 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.603 -3.523 37.303 1.00 0.00 C ATOM 0 H LEU A 59 2.496 -0.590 34.304 1.00 0.00 H new ATOM 0 HA LEU A 59 0.748 -1.196 36.605 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.500 -2.260 35.967 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.021 -2.022 37.635 1.00 0.00 H new ATOM 0 HG LEU A 59 1.832 -3.915 35.605 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.361 -5.589 37.333 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.808 -4.689 36.820 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.023 -4.302 38.370 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.142 -4.511 37.297 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.717 -3.182 38.332 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.030 -2.824 36.757 1.00 0.00 H new ATOM 936 N CYS A 60 1.708 0.713 37.880 1.00 0.00 N ATOM 937 CA CYS A 60 2.140 1.945 38.530 1.00 0.00 C ATOM 938 C CYS A 60 3.623 1.881 38.883 1.00 0.00 C ATOM 939 O CYS A 60 4.220 0.805 38.909 1.00 0.00 O ATOM 940 CB CYS A 60 1.314 2.196 39.793 1.00 0.00 C ATOM 941 SG CYS A 60 -0.486 2.085 39.539 1.00 0.00 S ATOM 0 H CYS A 60 0.921 0.250 38.335 1.00 0.00 H new ATOM 0 HA CYS A 60 1.985 2.769 37.833 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.608 1.475 40.555 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.555 3.186 40.181 1.00 0.00 H new ATOM 946 N SER A 61 4.211 3.042 39.154 1.00 0.00 N ATOM 947 CA SER A 61 5.625 3.120 39.502 1.00 0.00 C ATOM 948 C SER A 61 5.827 2.929 41.002 1.00 0.00 C ATOM 949 O SER A 61 6.954 2.784 41.476 1.00 0.00 O ATOM 950 CB SER A 61 6.207 4.466 39.066 1.00 0.00 C ATOM 951 OG SER A 61 5.187 5.337 38.608 1.00 0.00 O ATOM 0 H SER A 61 3.730 3.941 39.139 1.00 0.00 H new ATOM 0 HA SER A 61 6.147 2.320 38.977 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.734 4.926 39.902 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.939 4.310 38.274 1.00 0.00 H new ATOM 0 HG SER A 61 4.954 5.970 39.319 1.00 0.00 H new ATOM 957 N LYS A 62 4.725 2.929 41.746 1.00 0.00 N ATOM 958 CA LYS A 62 4.778 2.755 43.192 1.00 0.00 C ATOM 959 C LYS A 62 5.154 1.322 43.554 1.00 0.00 C ATOM 960 O LYS A 62 5.943 1.089 44.471 1.00 0.00 O ATOM 961 CB LYS A 62 3.429 3.114 43.819 1.00 0.00 C ATOM 962 CG LYS A 62 3.342 4.554 44.294 1.00 0.00 C ATOM 963 CD LYS A 62 1.917 4.937 44.655 1.00 0.00 C ATOM 964 CE LYS A 62 1.771 6.442 44.826 1.00 0.00 C ATOM 965 NZ LYS A 62 0.361 6.834 45.100 1.00 0.00 N ATOM 0 H LYS A 62 3.784 3.048 41.370 1.00 0.00 H new ATOM 0 HA LYS A 62 5.544 3.423 43.586 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.639 2.933 43.090 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.242 2.450 44.663 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.987 4.692 45.161 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.712 5.219 43.513 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.238 4.591 43.876 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.627 4.435 45.578 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.407 6.778 45.645 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.119 6.946 43.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.240 7.849 44.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.277 6.289 44.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.133 6.638 46.096 1.00 0.00 H new ATOM 979 N HIS A 63 4.585 0.364 42.829 1.00 0.00 N ATOM 980 CA HIS A 63 4.862 -1.047 43.073 1.00 0.00 C ATOM 981 C HIS A 63 6.358 -1.332 42.970 1.00 0.00 C ATOM 982 O HIS A 63 6.879 -2.216 43.650 1.00 0.00 O ATOM 983 CB HIS A 63 4.095 -1.919 42.078 1.00 0.00 C ATOM 984 CG HIS A 63 2.624 -1.642 42.049 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.784 -1.928 43.105 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.843 -1.100 41.085 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.550 -1.576 42.791 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.559 -1.070 41.570 1.00 0.00 N ATOM 0 H HIS A 63 3.929 0.539 42.068 1.00 0.00 H new ATOM 0 HA HIS A 63 4.532 -1.287 44.084 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.505 -1.764 41.080 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.254 -2.968 42.329 1.00 0.00 H new ATOM 0 HD1 HIS A 63 2.071 -2.346 43.990 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.169 -0.755 40.115 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.318 -1.683 43.424 1.00 0.00 H new ATOM 996 N PHE A 64 7.042 -0.579 42.115 1.00 0.00 N ATOM 997 CA PHE A 64 8.477 -0.752 41.922 1.00 0.00 C ATOM 998 C PHE A 64 9.265 0.195 42.822 1.00 0.00 C ATOM 999 O PHE A 64 8.735 1.197 43.301 1.00 0.00 O ATOM 1000 CB PHE A 64 8.849 -0.509 40.458 1.00 0.00 C ATOM 1001 CG PHE A 64 7.988 -1.267 39.487 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.789 -0.735 39.042 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.379 -2.512 39.021 1.00 0.00 C ATOM 1004 CE1 PHE A 64 5.996 -1.430 38.149 1.00 0.00 C ATOM 1005 CE2 PHE A 64 7.590 -3.212 38.128 1.00 0.00 C ATOM 1006 CZ PHE A 64 6.397 -2.670 37.691 1.00 0.00 C ATOM 0 H PHE A 64 6.626 0.157 41.545 1.00 0.00 H new ATOM 0 HA PHE A 64 8.733 -1.777 42.190 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.772 0.557 40.244 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.891 -0.791 40.304 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.470 0.234 39.397 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.311 -2.940 39.359 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.063 -1.004 37.809 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.906 -4.182 37.772 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.779 -3.215 36.993 1.00 0.00 H new ATOM 1016 N GLU A 65 10.533 -0.131 43.048 1.00 0.00 N ATOM 1017 CA GLU A 65 11.394 0.689 43.892 1.00 0.00 C ATOM 1018 C GLU A 65 12.287 1.591 43.045 1.00 0.00 C ATOM 1019 O GLU A 65 12.055 1.764 41.849 1.00 0.00 O ATOM 1020 CB GLU A 65 12.255 -0.197 44.795 1.00 0.00 C ATOM 1021 CG GLU A 65 11.698 -1.598 44.983 1.00 0.00 C ATOM 1022 CD GLU A 65 12.284 -2.595 44.002 1.00 0.00 C ATOM 1023 OE1 GLU A 65 13.491 -2.895 44.110 1.00 0.00 O ATOM 1024 OE2 GLU A 65 11.534 -3.075 43.126 1.00 0.00 O ATOM 0 H GLU A 65 10.987 -0.957 42.659 1.00 0.00 H new ATOM 0 HA GLU A 65 10.757 1.318 44.514 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.257 -0.267 44.372 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.353 0.280 45.770 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.901 -1.932 46.000 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.615 -1.573 44.866 1.00 0.00 H new ATOM 1031 N ALA A 66 13.309 2.162 43.674 1.00 0.00 N ATOM 1032 CA ALA A 66 14.238 3.044 42.979 1.00 0.00 C ATOM 1033 C ALA A 66 15.317 2.245 42.256 1.00 0.00 C ATOM 1034 O ALA A 66 15.892 2.710 41.272 1.00 0.00 O ATOM 1035 CB ALA A 66 14.869 4.023 43.958 1.00 0.00 C ATOM 0 H ALA A 66 13.514 2.029 44.664 1.00 0.00 H new ATOM 0 HA ALA A 66 13.677 3.606 42.232 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.561 4.676 43.425 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.089 4.625 44.425 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.410 3.471 44.727 1.00 0.00 H new ATOM 1041 N SER A 67 15.587 1.041 42.751 1.00 0.00 N ATOM 1042 CA SER A 67 16.601 0.179 42.155 1.00 0.00 C ATOM 1043 C SER A 67 16.061 -0.509 40.905 1.00 0.00 C ATOM 1044 O SER A 67 16.778 -1.254 40.235 1.00 0.00 O ATOM 1045 CB SER A 67 17.068 -0.869 43.166 1.00 0.00 C ATOM 1046 OG SER A 67 18.462 -1.100 43.054 1.00 0.00 O ATOM 0 H SER A 67 15.118 0.641 43.563 1.00 0.00 H new ATOM 0 HA SER A 67 17.449 0.801 41.869 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.832 -0.535 44.176 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.527 -1.802 43.004 1.00 0.00 H new ATOM 0 HG SER A 67 18.736 -1.773 43.712 1.00 0.00 H new ATOM 1052 N CYS A 68 14.795 -0.254 40.597 1.00 0.00 N ATOM 1053 CA CYS A 68 14.158 -0.849 39.427 1.00 0.00 C ATOM 1054 C CYS A 68 14.109 0.143 38.270 1.00 0.00 C ATOM 1055 O CYS A 68 13.719 -0.205 37.156 1.00 0.00 O ATOM 1056 CB CYS A 68 12.743 -1.317 39.774 1.00 0.00 C ATOM 1057 SG CYS A 68 12.672 -2.961 40.523 1.00 0.00 S ATOM 0 H CYS A 68 14.189 0.360 41.141 1.00 0.00 H new ATOM 0 HA CYS A 68 14.752 -1.709 39.119 1.00 0.00 H new ATOM 0 HB2 CYS A 68 12.292 -0.598 40.458 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.139 -1.316 38.867 1.00 0.00 H new ATOM 0 HG CYS A 68 12.023 -2.898 41.648 1.00 0.00 H new ATOM 1063 N PHE A 69 14.507 1.382 38.543 1.00 0.00 N ATOM 1064 CA PHE A 69 14.506 2.426 37.525 1.00 0.00 C ATOM 1065 C PHE A 69 15.931 2.785 37.113 1.00 0.00 C ATOM 1066 O PHE A 69 16.898 2.231 37.636 1.00 0.00 O ATOM 1067 CB PHE A 69 13.784 3.672 38.043 1.00 0.00 C ATOM 1068 CG PHE A 69 12.324 3.450 38.312 1.00 0.00 C ATOM 1069 CD1 PHE A 69 11.435 3.254 37.267 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.839 3.438 39.610 1.00 0.00 C ATOM 1071 CE1 PHE A 69 10.090 3.049 37.511 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.495 3.233 39.860 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.619 3.040 38.809 1.00 0.00 C ATOM 0 H PHE A 69 14.834 1.687 39.460 1.00 0.00 H new ATOM 0 HA PHE A 69 13.978 2.046 36.650 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.267 4.007 38.961 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.893 4.475 37.314 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.798 3.262 36.250 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.519 3.590 40.435 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.408 2.896 36.687 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.130 3.224 40.876 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.568 2.882 39.002 1.00 0.00 H new ATOM 1083 N ASP A 70 16.052 3.714 36.171 1.00 0.00 N ATOM 1084 CA ASP A 70 17.358 4.147 35.688 1.00 0.00 C ATOM 1085 C ASP A 70 17.521 5.656 35.844 1.00 0.00 C ATOM 1086 O ASP A 70 17.263 6.419 34.912 1.00 0.00 O ATOM 1087 CB ASP A 70 17.540 3.751 34.222 1.00 0.00 C ATOM 1088 CG ASP A 70 18.807 2.951 33.992 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.026 1.963 34.725 1.00 0.00 O ATOM 1090 OD2 ASP A 70 19.578 3.311 33.079 1.00 0.00 O ATOM 0 H ASP A 70 15.262 4.182 35.727 1.00 0.00 H new ATOM 0 HA ASP A 70 18.123 3.653 36.287 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.680 3.165 33.897 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.564 4.650 33.606 1.00 0.00 H new ATOM 1095 N LEU A 71 17.950 6.080 37.028 1.00 0.00 N ATOM 1096 CA LEU A 71 18.148 7.498 37.307 1.00 0.00 C ATOM 1097 C LEU A 71 19.629 7.859 37.271 1.00 0.00 C ATOM 1098 O LEU A 71 19.996 8.990 36.951 1.00 0.00 O ATOM 1099 CB LEU A 71 17.557 7.856 38.672 1.00 0.00 C ATOM 1100 CG LEU A 71 16.300 7.088 39.082 1.00 0.00 C ATOM 1101 CD1 LEU A 71 16.650 5.660 39.472 1.00 0.00 C ATOM 1102 CD2 LEU A 71 15.591 7.797 40.227 1.00 0.00 C ATOM 0 H LEU A 71 18.167 5.462 37.810 1.00 0.00 H new ATOM 0 HA LEU A 71 17.635 8.070 36.534 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.322 7.692 39.431 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.326 8.921 38.677 1.00 0.00 H new ATOM 0 HG LEU A 71 15.624 7.054 38.228 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.743 5.129 39.761 1.00 0.00 H new ATOM 0 HD12 LEU A 71 17.112 5.154 38.624 1.00 0.00 H new ATOM 0 HD13 LEU A 71 17.346 5.672 40.311 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.699 7.236 40.505 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.261 7.863 41.085 1.00 0.00 H new ATOM 0 HD23 LEU A 71 15.305 8.801 39.912 1.00 0.00 H new ATOM 1114 N THR A 72 20.478 6.890 37.599 1.00 0.00 N ATOM 1115 CA THR A 72 21.919 7.105 37.603 1.00 0.00 C ATOM 1116 C THR A 72 22.364 7.870 36.362 1.00 0.00 C ATOM 1117 O THR A 72 23.392 8.546 36.373 1.00 0.00 O ATOM 1118 CB THR A 72 22.686 5.771 37.672 1.00 0.00 C ATOM 1119 OG1 THR A 72 24.090 6.019 37.804 1.00 0.00 O ATOM 1120 CG2 THR A 72 22.428 4.934 36.428 1.00 0.00 C ATOM 0 H THR A 72 20.192 5.948 37.865 1.00 0.00 H new ATOM 0 HA THR A 72 22.148 7.694 38.491 1.00 0.00 H new ATOM 0 HB THR A 72 22.332 5.218 38.542 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.570 5.166 37.849 1.00 0.00 H new ATOM 0 HG21 THR A 72 22.980 3.997 36.499 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.362 4.722 36.347 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.757 5.483 35.546 1.00 0.00 H new ATOM 1128 N GLY A 73 21.582 7.760 35.292 1.00 0.00 N ATOM 1129 CA GLY A 73 21.913 8.448 34.058 1.00 0.00 C ATOM 1130 C GLY A 73 21.093 9.708 33.859 1.00 0.00 C ATOM 1131 O GLY A 73 21.596 10.817 34.034 1.00 0.00 O ATOM 0 H GLY A 73 20.726 7.207 35.258 1.00 0.00 H new ATOM 0 HA2 GLY A 73 22.972 8.704 34.061 1.00 0.00 H new ATOM 0 HA3 GLY A 73 21.750 7.776 33.216 1.00 0.00 H new ATOM 1135 N GLN A 74 19.828 9.536 33.490 1.00 0.00 N ATOM 1136 CA GLN A 74 18.938 10.668 33.264 1.00 0.00 C ATOM 1137 C GLN A 74 17.480 10.260 33.447 1.00 0.00 C ATOM 1138 O GLN A 74 17.067 9.181 33.019 1.00 0.00 O ATOM 1139 CB GLN A 74 19.148 11.237 31.860 1.00 0.00 C ATOM 1140 CG GLN A 74 20.400 12.089 31.730 1.00 0.00 C ATOM 1141 CD GLN A 74 20.308 13.094 30.599 1.00 0.00 C ATOM 1142 OE1 GLN A 74 19.317 13.135 29.869 1.00 0.00 O ATOM 1143 NE2 GLN A 74 21.342 13.913 30.447 1.00 0.00 N ATOM 0 H GLN A 74 19.397 8.624 33.341 1.00 0.00 H new ATOM 0 HA GLN A 74 19.176 11.437 33.999 1.00 0.00 H new ATOM 0 HB2 GLN A 74 19.203 10.414 31.148 1.00 0.00 H new ATOM 0 HB3 GLN A 74 18.280 11.837 31.587 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.574 12.618 32.667 1.00 0.00 H new ATOM 0 HG3 GLN A 74 21.261 11.441 31.565 1.00 0.00 H new ATOM 0 HE21 GLN A 74 22.143 13.845 31.075 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.335 14.610 29.703 1.00 0.00 H new ATOM 1152 N THR A 75 16.702 11.129 34.085 1.00 0.00 N ATOM 1153 CA THR A 75 15.290 10.858 34.326 1.00 0.00 C ATOM 1154 C THR A 75 15.092 9.475 34.935 1.00 0.00 C ATOM 1155 O THR A 75 16.052 8.731 35.134 1.00 0.00 O ATOM 1156 CB THR A 75 14.470 10.957 33.026 1.00 0.00 C ATOM 1157 OG1 THR A 75 13.739 9.744 32.815 1.00 0.00 O ATOM 1158 CG2 THR A 75 15.375 11.223 31.833 1.00 0.00 C ATOM 0 H THR A 75 17.026 12.027 34.444 1.00 0.00 H new ATOM 0 HA THR A 75 14.938 11.614 35.028 1.00 0.00 H new ATOM 0 HB THR A 75 13.773 11.789 33.125 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.219 9.815 31.987 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.773 11.289 30.927 1.00 0.00 H new ATOM 0 HG22 THR A 75 15.908 12.162 31.983 1.00 0.00 H new ATOM 0 HG23 THR A 75 16.093 10.409 31.733 1.00 0.00 H new ATOM 1166 N ARG A 76 13.841 9.137 35.229 1.00 0.00 N ATOM 1167 CA ARG A 76 13.517 7.843 35.816 1.00 0.00 C ATOM 1168 C ARG A 76 12.923 6.904 34.770 1.00 0.00 C ATOM 1169 O ARG A 76 11.863 7.177 34.206 1.00 0.00 O ATOM 1170 CB ARG A 76 12.535 8.016 36.977 1.00 0.00 C ATOM 1171 CG ARG A 76 13.170 7.829 38.345 1.00 0.00 C ATOM 1172 CD ARG A 76 12.211 8.211 39.461 1.00 0.00 C ATOM 1173 NE ARG A 76 12.438 9.573 39.936 1.00 0.00 N ATOM 1174 CZ ARG A 76 11.772 10.120 40.946 1.00 0.00 C ATOM 1175 NH1 ARG A 76 10.841 9.424 41.585 1.00 0.00 N ATOM 1176 NH2 ARG A 76 12.035 11.366 41.320 1.00 0.00 N ATOM 0 H ARG A 76 13.035 9.742 35.070 1.00 0.00 H new ATOM 0 HA ARG A 76 14.440 7.403 36.192 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.094 9.011 36.924 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.721 7.300 36.863 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.476 6.790 38.466 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.072 8.437 38.415 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.185 8.118 39.105 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.325 7.514 40.291 1.00 0.00 H new ATOM 0 HE ARG A 76 13.147 10.135 39.466 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.635 8.466 41.301 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.331 9.847 42.361 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.750 11.905 40.831 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.522 11.785 42.096 1.00 0.00 H new ATOM 1190 N ARG A 77 13.614 5.798 34.515 1.00 0.00 N ATOM 1191 CA ARG A 77 13.156 4.820 33.535 1.00 0.00 C ATOM 1192 C ARG A 77 13.154 3.414 34.130 1.00 0.00 C ATOM 1193 O ARG A 77 14.164 2.952 34.662 1.00 0.00 O ATOM 1194 CB ARG A 77 14.046 4.857 32.291 1.00 0.00 C ATOM 1195 CG ARG A 77 14.040 6.200 31.579 1.00 0.00 C ATOM 1196 CD ARG A 77 14.935 6.182 30.350 1.00 0.00 C ATOM 1197 NE ARG A 77 15.740 7.396 30.242 1.00 0.00 N ATOM 1198 CZ ARG A 77 16.746 7.537 29.386 1.00 0.00 C ATOM 1199 NH1 ARG A 77 17.068 6.546 28.567 1.00 0.00 N ATOM 1200 NH2 ARG A 77 17.432 8.673 29.347 1.00 0.00 N ATOM 0 H ARG A 77 14.493 5.557 34.973 1.00 0.00 H new ATOM 0 HA ARG A 77 12.136 5.078 33.251 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.068 4.612 32.578 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.717 4.085 31.596 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.021 6.453 31.285 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.376 6.978 32.264 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.592 5.314 30.393 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.321 6.073 29.456 1.00 0.00 H new ATOM 0 HE ARG A 77 15.518 8.178 30.858 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.543 5.672 28.593 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.841 6.657 27.911 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.187 9.439 29.975 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.204 8.780 28.689 1.00 0.00 H new ATOM 1214 N LEU A 78 12.014 2.740 34.036 1.00 0.00 N ATOM 1215 CA LEU A 78 11.879 1.387 34.565 1.00 0.00 C ATOM 1216 C LEU A 78 12.715 0.400 33.756 1.00 0.00 C ATOM 1217 O LEU A 78 12.427 0.138 32.588 1.00 0.00 O ATOM 1218 CB LEU A 78 10.411 0.958 34.555 1.00 0.00 C ATOM 1219 CG LEU A 78 10.072 -0.293 35.367 1.00 0.00 C ATOM 1220 CD1 LEU A 78 10.948 -1.460 34.940 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.230 -0.021 36.856 1.00 0.00 C ATOM 0 H LEU A 78 11.169 3.108 33.598 1.00 0.00 H new ATOM 0 HA LEU A 78 12.244 1.387 35.592 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.809 1.785 34.931 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.110 0.789 33.521 1.00 0.00 H new ATOM 0 HG LEU A 78 9.032 -0.557 35.175 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.693 -2.341 35.529 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.785 -1.670 33.883 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.996 -1.207 35.102 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.985 -0.922 37.418 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.260 0.269 37.066 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.559 0.785 37.152 1.00 0.00 H new ATOM 1233 N LYS A 79 13.750 -0.146 34.385 1.00 0.00 N ATOM 1234 CA LYS A 79 14.627 -1.107 33.726 1.00 0.00 C ATOM 1235 C LYS A 79 13.828 -2.287 33.182 1.00 0.00 C ATOM 1236 O LYS A 79 12.910 -2.781 33.836 1.00 0.00 O ATOM 1237 CB LYS A 79 15.695 -1.605 34.700 1.00 0.00 C ATOM 1238 CG LYS A 79 16.693 -0.535 35.109 1.00 0.00 C ATOM 1239 CD LYS A 79 17.197 -0.755 36.526 1.00 0.00 C ATOM 1240 CE LYS A 79 18.434 -1.640 36.546 1.00 0.00 C ATOM 1241 NZ LYS A 79 19.635 -0.926 36.030 1.00 0.00 N ATOM 0 H LYS A 79 14.002 0.061 35.351 1.00 0.00 H new ATOM 0 HA LYS A 79 15.114 -0.604 32.890 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.207 -1.995 35.593 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.233 -2.436 34.243 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.536 -0.539 34.417 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.225 0.447 35.036 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.429 0.206 36.984 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.411 -1.213 37.126 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.622 -1.978 37.565 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.254 -2.530 35.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.096 -1.505 35.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.347 -0.015 35.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.302 -0.759 36.811 1.00 0.00 H new ATOM 1255 N MET A 80 14.186 -2.736 31.983 1.00 0.00 N ATOM 1256 CA MET A 80 13.504 -3.861 31.354 1.00 0.00 C ATOM 1257 C MET A 80 13.710 -5.140 32.158 1.00 0.00 C ATOM 1258 O MET A 80 13.061 -6.155 31.905 1.00 0.00 O ATOM 1259 CB MET A 80 14.010 -4.056 29.924 1.00 0.00 C ATOM 1260 CG MET A 80 14.472 -2.769 29.261 1.00 0.00 C ATOM 1261 SD MET A 80 14.445 -2.865 27.460 1.00 0.00 S ATOM 1262 CE MET A 80 13.815 -1.241 27.043 1.00 0.00 C ATOM 0 H MET A 80 14.944 -2.338 31.428 1.00 0.00 H new ATOM 0 HA MET A 80 12.437 -3.638 31.327 1.00 0.00 H new ATOM 0 HB2 MET A 80 14.836 -4.767 29.934 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.215 -4.499 29.324 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.833 -1.948 29.587 1.00 0.00 H new ATOM 0 HG3 MET A 80 15.484 -2.537 29.593 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.741 -1.147 25.960 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.828 -1.108 27.487 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.492 -0.478 27.428 1.00 0.00 H new ATOM 1272 N ASP A 81 14.617 -5.085 33.127 1.00 0.00 N ATOM 1273 CA ASP A 81 14.908 -6.239 33.969 1.00 0.00 C ATOM 1274 C ASP A 81 14.443 -5.998 35.402 1.00 0.00 C ATOM 1275 O ASP A 81 14.973 -6.587 36.344 1.00 0.00 O ATOM 1276 CB ASP A 81 16.406 -6.547 33.950 1.00 0.00 C ATOM 1277 CG ASP A 81 17.063 -6.144 32.645 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.397 -6.234 31.593 1.00 0.00 O ATOM 1279 OD2 ASP A 81 18.245 -5.739 32.675 1.00 0.00 O ATOM 0 H ASP A 81 15.164 -4.253 33.349 1.00 0.00 H new ATOM 0 HA ASP A 81 14.364 -7.095 33.569 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.892 -6.025 34.774 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.557 -7.614 34.115 1.00 0.00 H new ATOM 1284 N ALA A 82 13.451 -5.127 35.559 1.00 0.00 N ATOM 1285 CA ALA A 82 12.915 -4.809 36.876 1.00 0.00 C ATOM 1286 C ALA A 82 11.552 -5.458 37.085 1.00 0.00 C ATOM 1287 O ALA A 82 10.680 -5.390 36.218 1.00 0.00 O ATOM 1288 CB ALA A 82 12.818 -3.301 37.055 1.00 0.00 C ATOM 0 H ALA A 82 13.003 -4.629 34.790 1.00 0.00 H new ATOM 0 HA ALA A 82 13.597 -5.210 37.626 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.416 -3.077 38.043 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.809 -2.859 36.958 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.159 -2.886 36.293 1.00 0.00 H new ATOM 1294 N VAL A 83 11.373 -6.089 38.242 1.00 0.00 N ATOM 1295 CA VAL A 83 10.115 -6.750 38.565 1.00 0.00 C ATOM 1296 C VAL A 83 9.519 -6.198 39.855 1.00 0.00 C ATOM 1297 O VAL A 83 10.229 -5.731 40.746 1.00 0.00 O ATOM 1298 CB VAL A 83 10.302 -8.272 38.710 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.754 -8.996 37.489 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.769 -8.610 38.926 1.00 0.00 C ATOM 0 H VAL A 83 12.084 -6.156 38.971 1.00 0.00 H new ATOM 0 HA VAL A 83 9.432 -6.552 37.739 1.00 0.00 H new ATOM 0 HB VAL A 83 9.743 -8.608 39.583 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.895 -10.070 37.609 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.691 -8.779 37.384 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.283 -8.658 36.598 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.883 -9.689 39.026 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.352 -8.261 38.074 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.125 -8.122 39.833 1.00 0.00 H new ATOM 1310 N PRO A 84 8.183 -6.251 39.960 1.00 0.00 N ATOM 1311 CA PRO A 84 7.461 -5.761 41.139 1.00 0.00 C ATOM 1312 C PRO A 84 7.691 -6.638 42.365 1.00 0.00 C ATOM 1313 O PRO A 84 6.963 -7.604 42.596 1.00 0.00 O ATOM 1314 CB PRO A 84 5.994 -5.820 40.706 1.00 0.00 C ATOM 1315 CG PRO A 84 5.952 -6.871 39.651 1.00 0.00 C ATOM 1316 CD PRO A 84 7.274 -6.794 38.937 1.00 0.00 C ATOM 0 HA PRO A 84 7.792 -4.766 41.436 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.344 -6.074 41.543 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.656 -4.858 40.320 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.802 -7.858 40.089 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.125 -6.699 38.962 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.600 -7.774 38.589 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.221 -6.146 38.062 1.00 0.00 H new ATOM 1324 N THR A 85 8.708 -6.295 43.150 1.00 0.00 N ATOM 1325 CA THR A 85 9.034 -7.052 44.352 1.00 0.00 C ATOM 1326 C THR A 85 8.263 -6.527 45.558 1.00 0.00 C ATOM 1327 O THR A 85 8.237 -7.160 46.614 1.00 0.00 O ATOM 1328 CB THR A 85 10.542 -6.997 44.659 1.00 0.00 C ATOM 1329 OG1 THR A 85 10.912 -5.675 45.065 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.357 -7.406 43.441 1.00 0.00 C ATOM 0 H THR A 85 9.320 -5.498 42.975 1.00 0.00 H new ATOM 0 HA THR A 85 8.747 -8.086 44.162 1.00 0.00 H new ATOM 0 HB THR A 85 10.751 -7.696 45.468 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.987 -5.099 44.275 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.419 -7.360 43.682 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.094 -8.424 43.153 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.142 -6.728 42.615 1.00 0.00 H new ATOM 1338 N ILE A 86 7.635 -5.367 45.394 1.00 0.00 N ATOM 1339 CA ILE A 86 6.862 -4.758 46.469 1.00 0.00 C ATOM 1340 C ILE A 86 5.408 -5.217 46.428 1.00 0.00 C ATOM 1341 O ILE A 86 4.948 -5.937 47.314 1.00 0.00 O ATOM 1342 CB ILE A 86 6.905 -3.221 46.393 1.00 0.00 C ATOM 1343 CG1 ILE A 86 8.296 -2.749 45.965 1.00 0.00 C ATOM 1344 CG2 ILE A 86 6.524 -2.614 47.735 1.00 0.00 C ATOM 1345 CD1 ILE A 86 8.476 -1.249 46.044 1.00 0.00 C ATOM 0 H ILE A 86 7.647 -4.830 44.527 1.00 0.00 H new ATOM 0 HA ILE A 86 7.317 -5.080 47.406 1.00 0.00 H new ATOM 0 HB ILE A 86 6.183 -2.888 45.647 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.044 -3.230 46.595 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.483 -3.076 44.942 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.559 -1.527 47.666 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.515 -2.928 48.003 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.224 -2.952 48.499 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.485 -0.986 45.726 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.752 -0.761 45.392 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.321 -0.918 47.071 1.00 0.00 H new ATOM 1357 N PHE A 87 4.689 -4.797 45.392 1.00 0.00 N ATOM 1358 CA PHE A 87 3.287 -5.165 45.234 1.00 0.00 C ATOM 1359 C PHE A 87 2.561 -5.129 46.576 1.00 0.00 C ATOM 1360 O PHE A 87 2.427 -6.151 47.249 1.00 0.00 O ATOM 1361 CB PHE A 87 3.171 -6.560 44.616 1.00 0.00 C ATOM 1362 CG PHE A 87 2.783 -6.542 43.165 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.763 -5.717 42.717 1.00 0.00 C ATOM 1364 CD2 PHE A 87 3.437 -7.350 42.249 1.00 0.00 C ATOM 1365 CE1 PHE A 87 1.404 -5.697 41.382 1.00 0.00 C ATOM 1366 CE2 PHE A 87 3.082 -7.334 40.913 1.00 0.00 C ATOM 1367 CZ PHE A 87 2.064 -6.508 40.480 1.00 0.00 C ATOM 0 H PHE A 87 5.055 -4.201 44.649 1.00 0.00 H new ATOM 0 HA PHE A 87 2.819 -4.440 44.568 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.125 -7.076 44.722 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.433 -7.136 45.174 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.243 -5.082 43.419 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.233 -7.999 42.582 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.609 -5.048 41.045 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.601 -7.967 40.208 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.784 -6.496 39.437 1.00 0.00 H new ATOM 1377 N ASP A 88 2.095 -3.945 46.958 1.00 0.00 N ATOM 1378 CA ASP A 88 1.382 -3.774 48.218 1.00 0.00 C ATOM 1379 C ASP A 88 0.037 -4.493 48.183 1.00 0.00 C ATOM 1380 O ASP A 88 -0.355 -5.146 49.151 1.00 0.00 O ATOM 1381 CB ASP A 88 1.172 -2.288 48.513 1.00 0.00 C ATOM 1382 CG ASP A 88 2.232 -1.727 49.441 1.00 0.00 C ATOM 1383 OD1 ASP A 88 3.353 -1.455 48.965 1.00 0.00 O ATOM 1384 OD2 ASP A 88 1.940 -1.561 50.644 1.00 0.00 O ATOM 0 H ASP A 88 2.198 -3.089 46.413 1.00 0.00 H new ATOM 0 HA ASP A 88 1.988 -4.212 49.012 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.180 -1.730 47.577 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.189 -2.145 48.961 1.00 0.00 H new ATOM 1389 N PHE A 89 -0.667 -4.368 47.063 1.00 0.00 N ATOM 1390 CA PHE A 89 -1.969 -5.004 46.903 1.00 0.00 C ATOM 1391 C PHE A 89 -3.040 -4.255 47.690 1.00 0.00 C ATOM 1392 O PHE A 89 -3.941 -3.648 47.110 1.00 0.00 O ATOM 1393 CB PHE A 89 -1.908 -6.462 47.362 1.00 0.00 C ATOM 1394 CG PHE A 89 -2.814 -7.374 46.585 1.00 0.00 C ATOM 1395 CD1 PHE A 89 -2.513 -7.723 45.279 1.00 0.00 C ATOM 1396 CD2 PHE A 89 -3.968 -7.881 47.161 1.00 0.00 C ATOM 1397 CE1 PHE A 89 -3.345 -8.562 44.561 1.00 0.00 C ATOM 1398 CE2 PHE A 89 -4.803 -8.721 46.449 1.00 0.00 C ATOM 1399 CZ PHE A 89 -4.492 -9.060 45.147 1.00 0.00 C ATOM 0 H PHE A 89 -0.357 -3.832 46.252 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.233 -4.974 45.846 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.882 -6.820 47.273 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.173 -6.513 48.418 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.618 -7.335 44.816 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.218 -7.617 48.178 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.098 -8.827 43.544 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.698 -9.112 46.910 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.145 -9.714 44.588 1.00 0.00 H new ATOM 1409 N CYS A 90 -2.936 -4.304 49.013 1.00 0.00 N ATOM 1410 CA CYS A 90 -3.896 -3.631 49.881 1.00 0.00 C ATOM 1411 C CYS A 90 -3.198 -3.014 51.089 1.00 0.00 C ATOM 1412 O CYS A 90 -1.969 -2.999 51.169 1.00 0.00 O ATOM 1413 CB CYS A 90 -4.970 -4.615 50.346 1.00 0.00 C ATOM 1414 SG CYS A 90 -4.445 -5.699 51.694 1.00 0.00 S ATOM 0 H CYS A 90 -2.197 -4.803 49.508 1.00 0.00 H new ATOM 0 HA CYS A 90 -4.368 -2.832 49.309 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -5.848 -4.053 50.667 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -5.276 -5.229 49.499 1.00 0.00 H new ATOM 0 HG CYS A 90 -3.835 -4.997 52.603 1.00 0.00 H new ATOM 1420 N THR A 91 -3.990 -2.502 52.026 1.00 0.00 N ATOM 1421 CA THR A 91 -3.449 -1.881 53.228 1.00 0.00 C ATOM 1422 C THR A 91 -2.965 -2.932 54.221 1.00 0.00 C ATOM 1423 O THR A 91 -2.827 -4.106 53.878 1.00 0.00 O ATOM 1424 CB THR A 91 -4.495 -0.984 53.916 1.00 0.00 C ATOM 1425 OG1 THR A 91 -5.474 -1.793 54.579 1.00 0.00 O ATOM 1426 CG2 THR A 91 -5.180 -0.077 52.905 1.00 0.00 C ATOM 0 H THR A 91 -5.009 -2.505 51.975 1.00 0.00 H new ATOM 0 HA THR A 91 -2.605 -1.267 52.914 1.00 0.00 H new ATOM 0 HB THR A 91 -3.981 -0.362 54.649 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.135 -1.215 55.015 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.914 0.547 53.415 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.436 0.558 52.423 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.681 -0.685 52.152 1.00 0.00 H new ATOM 1434 N HIS A 92 -2.710 -2.502 55.453 1.00 0.00 N ATOM 1435 CA HIS A 92 -2.242 -3.408 56.496 1.00 0.00 C ATOM 1436 C HIS A 92 -3.412 -3.934 57.322 1.00 0.00 C ATOM 1437 O HIS A 92 -3.606 -3.530 58.469 1.00 0.00 O ATOM 1438 CB HIS A 92 -1.239 -2.697 57.405 1.00 0.00 C ATOM 1439 CG HIS A 92 0.112 -2.520 56.784 1.00 0.00 C ATOM 1440 ND1 HIS A 92 1.271 -3.007 57.351 1.00 0.00 N ATOM 1441 CD2 HIS A 92 0.485 -1.907 55.636 1.00 0.00 C ATOM 1442 CE1 HIS A 92 2.298 -2.699 56.579 1.00 0.00 C ATOM 1443 NE2 HIS A 92 1.848 -2.032 55.532 1.00 0.00 N ATOM 0 H HIS A 92 -2.819 -1.533 55.753 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.750 -4.254 56.016 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -1.636 -1.719 57.675 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.133 -3.265 58.329 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -0.168 -1.412 54.933 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.331 -2.950 56.772 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.420 -1.669 54.770 1.00 0.00 H new ATOM 1451 N ILE A 93 -4.188 -4.837 56.732 1.00 0.00 N ATOM 1452 CA ILE A 93 -5.337 -5.418 57.415 1.00 0.00 C ATOM 1453 C ILE A 93 -6.033 -4.386 58.296 1.00 0.00 C ATOM 1454 O ILE A 93 -6.466 -4.695 59.406 1.00 0.00 O ATOM 1455 CB ILE A 93 -4.928 -6.624 58.280 1.00 0.00 C ATOM 1456 CG1 ILE A 93 -6.167 -7.298 58.874 1.00 0.00 C ATOM 1457 CG2 ILE A 93 -3.977 -6.185 59.384 1.00 0.00 C ATOM 1458 CD1 ILE A 93 -6.236 -8.784 58.600 1.00 0.00 C ATOM 0 H ILE A 93 -4.042 -5.182 55.783 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.026 -5.755 56.641 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.412 -7.347 57.648 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.178 -7.135 59.952 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.060 -6.820 58.470 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.697 -7.048 59.987 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.083 -5.746 58.941 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.469 -5.446 60.016 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.139 -9.195 59.050 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.257 -8.955 57.524 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.362 -9.274 59.028 1.00 0.00 H new ATOM 1470 N SER A 94 -6.137 -3.160 57.794 1.00 0.00 N ATOM 1471 CA SER A 94 -6.778 -2.082 58.536 1.00 0.00 C ATOM 1472 C SER A 94 -6.156 -1.931 59.921 1.00 0.00 C ATOM 1473 O SER A 94 -6.400 -2.740 60.815 1.00 0.00 O ATOM 1474 CB SER A 94 -8.280 -2.345 58.665 1.00 0.00 C ATOM 1475 OG SER A 94 -8.780 -3.018 57.523 1.00 0.00 O ATOM 0 H SER A 94 -5.785 -2.889 56.876 1.00 0.00 H new ATOM 0 HA SER A 94 -6.625 -1.154 57.985 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.472 -2.942 59.556 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.808 -1.400 58.794 1.00 0.00 H new ATOM 0 HG SER A 94 -9.741 -3.176 57.631 1.00 0.00 H new ATOM 1481 N GLY A 95 -5.350 -0.887 60.090 1.00 0.00 N ATOM 1482 CA GLY A 95 -4.704 -0.647 61.368 1.00 0.00 C ATOM 1483 C GLY A 95 -5.503 0.287 62.255 1.00 0.00 C ATOM 1484 O GLY A 95 -6.652 0.622 61.965 1.00 0.00 O ATOM 0 H GLY A 95 -5.133 -0.203 59.365 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.560 -1.597 61.883 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -3.714 -0.223 61.197 1.00 0.00 H new ATOM 1488 N PRO A 96 -4.890 0.722 63.366 1.00 0.00 N ATOM 1489 CA PRO A 96 -5.534 1.628 64.322 1.00 0.00 C ATOM 1490 C PRO A 96 -5.718 3.032 63.756 1.00 0.00 C ATOM 1491 O PRO A 96 -4.947 3.474 62.904 1.00 0.00 O ATOM 1492 CB PRO A 96 -4.558 1.651 65.501 1.00 0.00 C ATOM 1493 CG PRO A 96 -3.236 1.312 64.905 1.00 0.00 C ATOM 1494 CD PRO A 96 -3.522 0.363 63.774 1.00 0.00 C ATOM 0 HA PRO A 96 -6.537 1.295 64.587 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.537 2.631 65.979 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.844 0.929 66.266 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.730 2.207 64.544 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -2.581 0.851 65.645 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.813 0.488 62.956 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -3.458 -0.677 64.096 1.00 0.00 H new ATOM 1502 N SER A 97 -6.744 3.728 64.234 1.00 0.00 N ATOM 1503 CA SER A 97 -7.031 5.082 63.773 1.00 0.00 C ATOM 1504 C SER A 97 -7.921 5.818 64.770 1.00 0.00 C ATOM 1505 O SER A 97 -7.434 6.549 65.632 1.00 0.00 O ATOM 1506 CB SER A 97 -7.707 5.043 62.401 1.00 0.00 C ATOM 1507 OG SER A 97 -8.425 6.239 62.152 1.00 0.00 O ATOM 0 H SER A 97 -7.391 3.377 64.940 1.00 0.00 H new ATOM 0 HA SER A 97 -6.086 5.619 63.690 1.00 0.00 H new ATOM 0 HB2 SER A 97 -6.955 4.899 61.625 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.385 4.191 62.350 1.00 0.00 H new ATOM 0 HG SER A 97 -8.846 6.190 61.269 1.00 0.00 H new ATOM 1513 N SER A 98 -9.229 5.619 64.645 1.00 0.00 N ATOM 1514 CA SER A 98 -10.189 6.266 65.532 1.00 0.00 C ATOM 1515 C SER A 98 -10.008 5.789 66.970 1.00 0.00 C ATOM 1516 O SER A 98 -9.742 6.584 67.871 1.00 0.00 O ATOM 1517 CB SER A 98 -11.618 5.983 65.065 1.00 0.00 C ATOM 1518 OG SER A 98 -11.662 5.755 63.668 1.00 0.00 O ATOM 0 H SER A 98 -9.648 5.015 63.938 1.00 0.00 H new ATOM 0 HA SER A 98 -10.009 7.341 65.499 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.010 5.113 65.591 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.261 6.826 65.320 1.00 0.00 H new ATOM 0 HG SER A 98 -12.586 5.575 63.395 1.00 0.00 H new ATOM 1524 N GLY A 99 -10.154 4.484 67.177 1.00 0.00 N ATOM 1525 CA GLY A 99 -10.003 3.922 68.506 1.00 0.00 C ATOM 1526 C GLY A 99 -9.776 2.424 68.480 1.00 0.00 C ATOM 1527 O GLY A 99 -8.788 1.958 69.047 1.00 0.00 O ATOM 0 H GLY A 99 -10.374 3.806 66.448 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.164 4.405 69.008 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.895 4.141 69.093 1.00 0.00 H new TER 1531 GLY A 99 HETATM 1532 ZN ZN A 401 -1.234 0.145 40.570 1.00 0.00 ZN