USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 499 hydrogens (2 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 14 TYR OH : rot 34:sc= 1.09 USER MOD Set 1.2: A 32 GLN : amide:sc= 1.64 K(o=2.7,f=1.1) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 156:sc= 0.934 (180deg=0) USER MOD Set 2.2: A 54 GLN : amide:sc= 0.729 K(o=1.7,f=-5.8!) USER MOD Single : A 1 LYS N :NH3+ 164:sc=-0.00474 (180deg=-0.342) USER MOD Single : A 1 LYS NZ :NH3+ 163:sc= 1.22 (180deg=1.19) USER MOD Single : A 4 TYR OH : rot 29:sc= 0.056 USER MOD Single : A 9 ASN : amide:sc= -0.0256 X(o=-0.026,f=-0.41) USER MOD Single : A 10 THR OG1 : rot 77:sc= 1.32 USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.0773 K(o=0.077,f=-5.4!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= 1.29 (180deg=0.838) USER MOD Single : A 31 GLN : amide:sc= 0.655 K(o=0.65,f=0) USER MOD Single : A 33 TYR OH : rot 51:sc= 1.67 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -65:sc= 0.916 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -65:sc= 1.13 USER MOD Single : A 50 HIS : no HD1:sc= -0.068 X(o=-0.068,f=-0.22) USER MOD Single : A 52 TYR OH : rot 111:sc= 0.462 USER MOD Single : A 62 ASN : amide:sc= 0.439 K(o=0.44,f=-5.5!) USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= 2.19 (180deg=0.521) USER MOD Single : A 66 SER OG : rot 35:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.012 2.048 1.266 1.00 1.00 N ATOM 2 CA LYS A 1 -9.984 1.024 1.200 1.00 1.00 C ATOM 3 C LYS A 1 -9.416 0.967 -0.219 1.00 1.00 C ATOM 4 O LYS A 1 -9.144 -0.113 -0.741 1.00 1.00 O ATOM 5 CB LYS A 1 -10.528 -0.316 1.698 1.00 1.00 C ATOM 6 CG LYS A 1 -11.765 -0.736 0.901 1.00 1.00 C ATOM 7 CD LYS A 1 -12.088 -2.214 1.126 1.00 1.00 C ATOM 8 CE LYS A 1 -13.278 -2.652 0.271 1.00 1.00 C ATOM 9 NZ LYS A 1 -13.449 -4.121 0.334 1.00 1.00 N ATOM 0 H1 LYS A 1 -11.581 1.914 2.126 1.00 1.00 H new ATOM 0 H2 LYS A 1 -10.566 2.987 1.290 1.00 1.00 H new ATOM 0 H3 LYS A 1 -11.626 1.978 0.430 1.00 1.00 H new ATOM 0 HA LYS A 1 -9.157 1.273 1.865 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -9.757 -1.081 1.609 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -10.781 -0.239 2.755 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -12.617 -0.125 1.197 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -11.597 -0.555 -0.161 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -11.217 -2.822 0.881 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -12.310 -2.385 2.179 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -14.185 -2.159 0.620 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -13.124 -2.342 -0.763 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -14.401 -4.374 0.000 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -12.737 -4.580 -0.270 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -13.329 -4.443 1.316 1.00 1.00 H new ATOM 25 N GLU A 2 -9.255 2.145 -0.805 1.00 1.00 N ATOM 26 CA GLU A 2 -8.837 2.240 -2.193 1.00 1.00 C ATOM 27 C GLU A 2 -7.793 3.346 -2.360 1.00 1.00 C ATOM 28 O GLU A 2 -7.898 4.401 -1.737 1.00 1.00 O ATOM 29 CB GLU A 2 -10.037 2.475 -3.113 1.00 1.00 C ATOM 30 CG GLU A 2 -11.129 1.433 -2.866 1.00 1.00 C ATOM 31 CD GLU A 2 -12.339 1.680 -3.770 1.00 1.00 C ATOM 32 OE1 GLU A 2 -12.194 2.506 -4.697 1.00 1.00 O ATOM 33 OE2 GLU A 2 -13.380 1.039 -3.513 1.00 1.00 O ATOM 0 H GLU A 2 -9.407 3.042 -0.343 1.00 1.00 H new ATOM 0 HA GLU A 2 -8.382 1.292 -2.479 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -10.438 3.474 -2.945 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -9.716 2.431 -4.154 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -10.732 0.435 -3.049 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -11.438 1.466 -1.821 1.00 1.00 H new ATOM 40 N GLY A 3 -6.812 3.068 -3.205 1.00 1.00 N ATOM 41 CA GLY A 3 -5.717 4.000 -3.413 1.00 1.00 C ATOM 42 C GLY A 3 -4.686 3.426 -4.389 1.00 1.00 C ATOM 43 O GLY A 3 -4.912 2.376 -4.989 1.00 1.00 O ATOM 0 H GLY A 3 -6.752 2.210 -3.754 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -6.105 4.942 -3.801 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -5.237 4.221 -2.460 1.00 1.00 H new ATOM 47 N TYR A 4 -3.577 4.140 -4.515 1.00 1.00 N ATOM 48 CA TYR A 4 -2.507 3.709 -5.397 1.00 1.00 C ATOM 49 C TYR A 4 -1.714 2.557 -4.774 1.00 1.00 C ATOM 50 O TYR A 4 -1.012 2.748 -3.783 1.00 1.00 O ATOM 51 CB TYR A 4 -1.583 4.917 -5.562 1.00 1.00 C ATOM 52 CG TYR A 4 -2.269 6.148 -6.160 1.00 1.00 C ATOM 53 CD1 TYR A 4 -2.679 6.137 -7.478 1.00 1.00 C ATOM 54 CD2 TYR A 4 -2.479 7.267 -5.381 1.00 1.00 C ATOM 55 CE1 TYR A 4 -3.325 7.295 -8.040 1.00 1.00 C ATOM 56 CE2 TYR A 4 -3.124 8.425 -5.943 1.00 1.00 C ATOM 57 CZ TYR A 4 -3.516 8.382 -7.245 1.00 1.00 C ATOM 58 OH TYR A 4 -4.126 9.474 -7.777 1.00 1.00 O ATOM 0 H TYR A 4 -3.397 5.014 -4.021 1.00 1.00 H new ATOM 0 HA TYR A 4 -2.911 3.359 -6.347 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -1.170 5.181 -4.589 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -0.744 4.636 -6.199 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -2.515 5.261 -8.087 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -2.160 7.274 -4.349 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -3.651 7.300 -9.070 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -3.293 9.308 -5.344 1.00 1.00 H new ATOM 0 HH TYR A 4 -4.738 9.193 -8.489 1.00 1.00 H new ATOM 68 N LEU A 5 -1.853 1.389 -5.382 1.00 1.00 N ATOM 69 CA LEU A 5 -1.215 0.192 -4.859 1.00 1.00 C ATOM 70 C LEU A 5 0.285 0.447 -4.700 1.00 1.00 C ATOM 71 O LEU A 5 0.827 1.377 -5.296 1.00 1.00 O ATOM 72 CB LEU A 5 -1.543 -1.018 -5.736 1.00 1.00 C ATOM 73 CG LEU A 5 -0.705 -1.173 -7.005 1.00 1.00 C ATOM 74 CD1 LEU A 5 -0.737 0.106 -7.845 1.00 1.00 C ATOM 75 CD2 LEU A 5 0.725 -1.602 -6.669 1.00 1.00 C ATOM 0 H LEU A 5 -2.398 1.245 -6.232 1.00 1.00 H new ATOM 0 HA LEU A 5 -1.606 -0.046 -3.870 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -1.426 -1.920 -5.135 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -2.593 -0.960 -6.023 1.00 1.00 H new ATOM 0 HG LEU A 5 -1.146 -1.966 -7.610 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -0.133 -0.032 -8.742 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -1.765 0.328 -8.131 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.336 0.935 -7.261 1.00 1.00 H new ATOM 0 HD21 LEU A 5 1.300 -1.705 -7.589 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.191 -0.849 -6.033 1.00 1.00 H new ATOM 0 HD23 LEU A 5 0.705 -2.558 -6.145 1.00 1.00 H new ATOM 87 N VAL A 6 0.913 -0.395 -3.892 1.00 1.00 N ATOM 88 CA VAL A 6 2.308 -0.192 -3.540 1.00 1.00 C ATOM 89 C VAL A 6 3.056 -1.523 -3.651 1.00 1.00 C ATOM 90 O VAL A 6 2.470 -2.586 -3.456 1.00 1.00 O ATOM 91 CB VAL A 6 2.410 0.435 -2.148 1.00 1.00 C ATOM 92 CG1 VAL A 6 1.786 -0.475 -1.089 1.00 1.00 C ATOM 93 CG2 VAL A 6 3.863 0.765 -1.800 1.00 1.00 C ATOM 0 H VAL A 6 0.482 -1.218 -3.472 1.00 1.00 H new ATOM 0 HA VAL A 6 2.779 0.506 -4.232 1.00 1.00 H new ATOM 0 HB VAL A 6 1.848 1.369 -2.160 1.00 1.00 H new ATOM 0 HG11 VAL A 6 1.872 -0.005 -0.109 1.00 1.00 H new ATOM 0 HG12 VAL A 6 0.734 -0.637 -1.323 1.00 1.00 H new ATOM 0 HG13 VAL A 6 2.307 -1.432 -1.079 1.00 1.00 H new ATOM 0 HG21 VAL A 6 3.907 1.209 -0.806 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.457 -0.149 -1.816 1.00 1.00 H new ATOM 0 HG23 VAL A 6 4.261 1.470 -2.530 1.00 1.00 H new ATOM 103 N ASP A 7 4.339 -1.419 -3.966 1.00 1.00 N ATOM 104 CA ASP A 7 5.217 -2.575 -3.918 1.00 1.00 C ATOM 105 C ASP A 7 5.745 -2.751 -2.491 1.00 1.00 C ATOM 106 O ASP A 7 6.401 -1.860 -1.954 1.00 1.00 O ATOM 107 CB ASP A 7 6.418 -2.394 -4.847 1.00 1.00 C ATOM 108 CG ASP A 7 6.938 -0.960 -4.961 1.00 1.00 C ATOM 109 OD1 ASP A 7 6.135 -0.097 -5.380 1.00 1.00 O ATOM 110 OD2 ASP A 7 8.125 -0.757 -4.627 1.00 1.00 O ATOM 0 H ASP A 7 4.791 -0.552 -4.255 1.00 1.00 H new ATOM 0 HA ASP A 7 4.644 -3.446 -4.235 1.00 1.00 H new ATOM 0 HB2 ASP A 7 7.229 -3.032 -4.496 1.00 1.00 H new ATOM 0 HB3 ASP A 7 6.145 -2.745 -5.842 1.00 1.00 H new ATOM 115 N LYS A 8 5.438 -3.906 -1.919 1.00 1.00 N ATOM 116 CA LYS A 8 5.690 -4.131 -0.506 1.00 1.00 C ATOM 117 C LYS A 8 7.196 -4.286 -0.280 1.00 1.00 C ATOM 118 O LYS A 8 7.656 -4.307 0.861 1.00 1.00 O ATOM 119 CB LYS A 8 4.867 -5.315 0.004 1.00 1.00 C ATOM 120 CG LYS A 8 3.580 -4.838 0.679 1.00 1.00 C ATOM 121 CD LYS A 8 2.688 -6.022 1.059 1.00 1.00 C ATOM 122 CE LYS A 8 1.438 -5.550 1.805 1.00 1.00 C ATOM 123 NZ LYS A 8 0.560 -6.697 2.123 1.00 1.00 N ATOM 0 H LYS A 8 5.017 -4.696 -2.408 1.00 1.00 H new ATOM 0 HA LYS A 8 5.365 -3.271 0.080 1.00 1.00 H new ATOM 0 HB2 LYS A 8 4.622 -5.977 -0.827 1.00 1.00 H new ATOM 0 HB3 LYS A 8 5.459 -5.896 0.711 1.00 1.00 H new ATOM 0 HG2 LYS A 8 3.825 -4.262 1.571 1.00 1.00 H new ATOM 0 HG3 LYS A 8 3.039 -4.171 0.008 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.396 -6.565 0.160 1.00 1.00 H new ATOM 0 HD3 LYS A 8 3.248 -6.718 1.684 1.00 1.00 H new ATOM 0 HE2 LYS A 8 1.727 -5.040 2.724 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.895 -4.827 1.196 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -0.039 -6.460 2.939 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -0.042 -6.911 1.302 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.143 -7.528 2.351 1.00 1.00 H new ATOM 137 N ASN A 9 7.921 -4.391 -1.384 1.00 1.00 N ATOM 138 CA ASN A 9 9.370 -4.458 -1.323 1.00 1.00 C ATOM 139 C ASN A 9 9.929 -3.062 -1.041 1.00 1.00 C ATOM 140 O ASN A 9 10.323 -2.762 0.085 1.00 1.00 O ATOM 141 CB ASN A 9 9.955 -4.941 -2.652 1.00 1.00 C ATOM 142 CG ASN A 9 10.267 -6.438 -2.602 1.00 1.00 C ATOM 143 OD1 ASN A 9 9.627 -7.208 -1.905 1.00 1.00 O ATOM 144 ND2 ASN A 9 11.282 -6.806 -3.377 1.00 1.00 N ATOM 0 H ASN A 9 7.531 -4.431 -2.326 1.00 1.00 H new ATOM 0 HA ASN A 9 9.642 -5.158 -0.533 1.00 1.00 H new ATOM 0 HB2 ASN A 9 9.250 -4.740 -3.458 1.00 1.00 H new ATOM 0 HB3 ASN A 9 10.864 -4.384 -2.877 1.00 1.00 H new ATOM 0 HD21 ASN A 9 11.567 -7.785 -3.413 1.00 1.00 H new ATOM 0 HD22 ASN A 9 11.776 -6.110 -3.936 1.00 1.00 H new ATOM 151 N THR A 10 9.948 -2.244 -2.083 1.00 1.00 N ATOM 152 CA THR A 10 10.715 -1.011 -2.054 1.00 1.00 C ATOM 153 C THR A 10 9.798 0.183 -1.778 1.00 1.00 C ATOM 154 O THR A 10 10.257 1.235 -1.338 1.00 1.00 O ATOM 155 CB THR A 10 11.477 -0.897 -3.376 1.00 1.00 C ATOM 156 OG1 THR A 10 10.600 -1.482 -4.335 1.00 1.00 O ATOM 157 CG2 THR A 10 12.720 -1.790 -3.414 1.00 1.00 C ATOM 0 H THR A 10 9.444 -2.412 -2.954 1.00 1.00 H new ATOM 0 HA THR A 10 11.442 -1.018 -1.242 1.00 1.00 H new ATOM 0 HB THR A 10 11.770 0.140 -3.537 1.00 1.00 H new ATOM 0 HG1 THR A 10 9.881 -0.851 -4.548 1.00 1.00 H new ATOM 0 HG21 THR A 10 13.224 -1.671 -4.373 1.00 1.00 H new ATOM 0 HG22 THR A 10 13.398 -1.504 -2.610 1.00 1.00 H new ATOM 0 HG23 THR A 10 12.424 -2.831 -3.286 1.00 1.00 H new ATOM 165 N GLY A 11 8.516 -0.022 -2.048 1.00 1.00 N ATOM 166 CA GLY A 11 7.544 1.049 -1.915 1.00 1.00 C ATOM 167 C GLY A 11 7.928 2.249 -2.782 1.00 1.00 C ATOM 168 O GLY A 11 7.782 3.396 -2.362 1.00 1.00 O ATOM 0 H GLY A 11 8.129 -0.913 -2.358 1.00 1.00 H new ATOM 0 HA2 GLY A 11 6.557 0.687 -2.205 1.00 1.00 H new ATOM 0 HA3 GLY A 11 7.477 1.356 -0.871 1.00 1.00 H new ATOM 172 N CYS A 12 8.412 1.945 -3.978 1.00 1.00 N ATOM 173 CA CYS A 12 8.940 2.974 -4.856 1.00 1.00 C ATOM 174 C CYS A 12 7.895 3.267 -5.936 1.00 1.00 C ATOM 175 O CYS A 12 8.105 4.126 -6.790 1.00 1.00 O ATOM 176 CB CYS A 12 10.286 2.568 -5.459 1.00 1.00 C ATOM 177 SG CYS A 12 11.674 3.694 -5.066 1.00 1.00 S ATOM 0 H CYS A 12 8.449 1.000 -4.359 1.00 1.00 H new ATOM 0 HA CYS A 12 9.133 3.881 -4.283 1.00 1.00 H new ATOM 0 HB2 CYS A 12 10.538 1.567 -5.108 1.00 1.00 H new ATOM 0 HB3 CYS A 12 10.180 2.509 -6.542 1.00 1.00 H new ATOM 182 N LYS A 13 6.793 2.535 -5.861 1.00 1.00 N ATOM 183 CA LYS A 13 5.640 2.833 -6.692 1.00 1.00 C ATOM 184 C LYS A 13 5.941 2.429 -8.138 1.00 1.00 C ATOM 185 O LYS A 13 7.103 2.291 -8.518 1.00 1.00 O ATOM 186 CB LYS A 13 5.230 4.298 -6.537 1.00 1.00 C ATOM 187 CG LYS A 13 5.390 5.056 -7.856 1.00 1.00 C ATOM 188 CD LYS A 13 5.197 6.560 -7.652 1.00 1.00 C ATOM 189 CE LYS A 13 5.116 7.290 -8.994 1.00 1.00 C ATOM 190 NZ LYS A 13 5.040 8.753 -8.784 1.00 1.00 N ATOM 0 H LYS A 13 6.675 1.736 -5.237 1.00 1.00 H new ATOM 0 HA LYS A 13 4.778 2.249 -6.369 1.00 1.00 H new ATOM 0 HB2 LYS A 13 4.194 4.356 -6.204 1.00 1.00 H new ATOM 0 HB3 LYS A 13 5.839 4.770 -5.766 1.00 1.00 H new ATOM 0 HG2 LYS A 13 6.380 4.866 -8.271 1.00 1.00 H new ATOM 0 HG3 LYS A 13 4.664 4.688 -8.581 1.00 1.00 H new ATOM 0 HD2 LYS A 13 4.286 6.739 -7.081 1.00 1.00 H new ATOM 0 HD3 LYS A 13 6.024 6.960 -7.066 1.00 1.00 H new ATOM 0 HE2 LYS A 13 5.990 7.048 -9.599 1.00 1.00 H new ATOM 0 HE3 LYS A 13 4.241 6.950 -9.547 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 5.037 9.236 -9.705 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 4.167 8.985 -8.268 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 5.863 9.068 -8.231 1.00 1.00 H new ATOM 204 N TYR A 14 4.875 2.252 -8.904 1.00 1.00 N ATOM 205 CA TYR A 14 5.004 1.758 -10.264 1.00 1.00 C ATOM 206 C TYR A 14 4.790 2.884 -11.278 1.00 1.00 C ATOM 207 O TYR A 14 5.624 3.101 -12.156 1.00 1.00 O ATOM 208 CB TYR A 14 3.902 0.712 -10.440 1.00 1.00 C ATOM 209 CG TYR A 14 4.142 -0.582 -9.660 1.00 1.00 C ATOM 210 CD1 TYR A 14 3.756 -0.672 -8.339 1.00 1.00 C ATOM 211 CD2 TYR A 14 4.743 -1.659 -10.279 1.00 1.00 C ATOM 212 CE1 TYR A 14 3.982 -1.891 -7.604 1.00 1.00 C ATOM 213 CE2 TYR A 14 4.969 -2.877 -9.545 1.00 1.00 C ATOM 214 CZ TYR A 14 4.577 -2.933 -8.244 1.00 1.00 C ATOM 215 OH TYR A 14 4.790 -4.083 -7.550 1.00 1.00 O ATOM 0 H TYR A 14 3.917 2.442 -8.608 1.00 1.00 H new ATOM 0 HA TYR A 14 6.000 1.347 -10.430 1.00 1.00 H new ATOM 0 HB2 TYR A 14 2.952 1.143 -10.125 1.00 1.00 H new ATOM 0 HB3 TYR A 14 3.808 0.473 -11.499 1.00 1.00 H new ATOM 0 HD1 TYR A 14 3.284 0.171 -7.855 1.00 1.00 H new ATOM 0 HD2 TYR A 14 5.044 -1.588 -11.314 1.00 1.00 H new ATOM 0 HE1 TYR A 14 3.686 -1.975 -6.569 1.00 1.00 H new ATOM 0 HE2 TYR A 14 5.439 -3.727 -10.017 1.00 1.00 H new ATOM 0 HH TYR A 14 4.062 -4.217 -6.908 1.00 1.00 H new ATOM 225 N GLU A 15 3.667 3.571 -11.123 1.00 1.00 N ATOM 226 CA GLU A 15 3.281 4.598 -12.076 1.00 1.00 C ATOM 227 C GLU A 15 2.917 3.965 -13.421 1.00 1.00 C ATOM 228 O GLU A 15 3.334 2.847 -13.717 1.00 1.00 O ATOM 229 CB GLU A 15 4.391 5.638 -12.240 1.00 1.00 C ATOM 230 CG GLU A 15 3.806 7.032 -12.466 1.00 1.00 C ATOM 231 CD GLU A 15 4.900 8.103 -12.403 1.00 1.00 C ATOM 232 OE1 GLU A 15 5.718 8.134 -13.348 1.00 1.00 O ATOM 233 OE2 GLU A 15 4.892 8.864 -11.412 1.00 1.00 O ATOM 0 H GLU A 15 3.013 3.436 -10.352 1.00 1.00 H new ATOM 0 HA GLU A 15 2.401 5.113 -11.690 1.00 1.00 H new ATOM 0 HB2 GLU A 15 5.023 5.644 -11.352 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.028 5.366 -13.082 1.00 1.00 H new ATOM 0 HG2 GLU A 15 3.311 7.070 -13.436 1.00 1.00 H new ATOM 0 HG3 GLU A 15 3.046 7.238 -11.712 1.00 1.00 H new ATOM 240 N CYS A 16 2.144 4.709 -14.198 1.00 1.00 N ATOM 241 CA CYS A 16 1.902 4.343 -15.583 1.00 1.00 C ATOM 242 C CYS A 16 1.873 5.623 -16.420 1.00 1.00 C ATOM 243 O CYS A 16 1.040 6.499 -16.191 1.00 1.00 O ATOM 244 CB CYS A 16 0.616 3.530 -15.737 1.00 1.00 C ATOM 245 SG CYS A 16 -0.769 4.077 -14.672 1.00 1.00 S ATOM 0 H CYS A 16 1.677 5.564 -13.895 1.00 1.00 H new ATOM 0 HA CYS A 16 2.706 3.697 -15.937 1.00 1.00 H new ATOM 0 HB2 CYS A 16 0.296 3.576 -16.778 1.00 1.00 H new ATOM 0 HB3 CYS A 16 0.835 2.485 -15.517 1.00 1.00 H new ATOM 250 N LEU A 17 2.791 5.690 -17.372 1.00 1.00 N ATOM 251 CA LEU A 17 3.075 6.944 -18.050 1.00 1.00 C ATOM 252 C LEU A 17 2.087 7.132 -19.204 1.00 1.00 C ATOM 253 O LEU A 17 2.491 7.408 -20.332 1.00 1.00 O ATOM 254 CB LEU A 17 4.542 6.999 -18.482 1.00 1.00 C ATOM 255 CG LEU A 17 4.990 5.922 -19.472 1.00 1.00 C ATOM 256 CD1 LEU A 17 5.579 6.552 -20.737 1.00 1.00 C ATOM 257 CD2 LEU A 17 5.963 4.942 -18.814 1.00 1.00 C ATOM 0 H LEU A 17 3.348 4.897 -17.690 1.00 1.00 H new ATOM 0 HA LEU A 17 2.934 7.784 -17.370 1.00 1.00 H new ATOM 0 HB2 LEU A 17 4.733 7.976 -18.927 1.00 1.00 H new ATOM 0 HB3 LEU A 17 5.166 6.927 -17.591 1.00 1.00 H new ATOM 0 HG LEU A 17 4.113 5.350 -19.774 1.00 1.00 H new ATOM 0 HD11 LEU A 17 5.890 5.765 -21.424 1.00 1.00 H new ATOM 0 HD12 LEU A 17 4.826 7.177 -21.217 1.00 1.00 H new ATOM 0 HD13 LEU A 17 6.441 7.163 -20.471 1.00 1.00 H new ATOM 0 HD21 LEU A 17 6.265 4.187 -19.540 1.00 1.00 H new ATOM 0 HD22 LEU A 17 6.843 5.482 -18.464 1.00 1.00 H new ATOM 0 HD23 LEU A 17 5.475 4.457 -17.968 1.00 1.00 H new ATOM 269 N LYS A 18 0.813 6.973 -18.881 1.00 1.00 N ATOM 270 CA LYS A 18 -0.202 6.794 -19.905 1.00 1.00 C ATOM 271 C LYS A 18 -1.575 6.665 -19.240 1.00 1.00 C ATOM 272 O LYS A 18 -2.083 5.558 -19.066 1.00 1.00 O ATOM 273 CB LYS A 18 0.155 5.614 -20.812 1.00 1.00 C ATOM 274 CG LYS A 18 -0.944 5.369 -21.849 1.00 1.00 C ATOM 275 CD LYS A 18 -0.839 6.364 -23.005 1.00 1.00 C ATOM 276 CE LYS A 18 -1.962 6.146 -24.020 1.00 1.00 C ATOM 277 NZ LYS A 18 -1.821 7.082 -25.159 1.00 1.00 N ATOM 0 H LYS A 18 0.460 6.964 -17.924 1.00 1.00 H new ATOM 0 HA LYS A 18 -0.244 7.667 -20.557 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.100 5.812 -21.318 1.00 1.00 H new ATOM 0 HB3 LYS A 18 0.298 4.717 -20.209 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -0.867 4.352 -22.232 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -1.922 5.458 -21.376 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.886 7.382 -22.619 1.00 1.00 H new ATOM 0 HD3 LYS A 18 0.127 6.254 -23.497 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -1.939 5.118 -24.382 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -2.929 6.293 -23.539 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -2.591 6.920 -25.839 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -1.866 8.061 -24.811 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -0.907 6.923 -25.628 1.00 1.00 H new ATOM 291 N LEU A 19 -2.135 7.812 -18.885 1.00 1.00 N ATOM 292 CA LEU A 19 -3.314 7.838 -18.038 1.00 1.00 C ATOM 293 C LEU A 19 -4.533 7.401 -18.852 1.00 1.00 C ATOM 294 O LEU A 19 -4.565 7.575 -20.070 1.00 1.00 O ATOM 295 CB LEU A 19 -3.473 9.213 -17.383 1.00 1.00 C ATOM 296 CG LEU A 19 -4.254 10.253 -18.189 1.00 1.00 C ATOM 297 CD1 LEU A 19 -5.702 10.349 -17.704 1.00 1.00 C ATOM 298 CD2 LEU A 19 -3.548 11.610 -18.161 1.00 1.00 C ATOM 0 H LEU A 19 -1.793 8.730 -19.169 1.00 1.00 H new ATOM 0 HA LEU A 19 -3.208 7.129 -17.217 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -3.969 9.080 -16.421 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -2.480 9.613 -17.177 1.00 1.00 H new ATOM 0 HG LEU A 19 -4.285 9.927 -19.229 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -6.234 11.095 -18.294 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -6.189 9.381 -17.819 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -5.715 10.640 -16.654 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -4.123 12.331 -18.741 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -3.466 11.956 -17.131 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -2.551 11.511 -18.591 1.00 1.00 H new ATOM 310 N GLY A 20 -5.506 6.841 -18.148 1.00 1.00 N ATOM 311 CA GLY A 20 -6.660 6.249 -18.804 1.00 1.00 C ATOM 312 C GLY A 20 -6.470 4.744 -18.997 1.00 1.00 C ATOM 313 O GLY A 20 -7.311 3.950 -18.582 1.00 1.00 O ATOM 0 H GLY A 20 -5.519 6.785 -17.130 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -7.555 6.433 -18.209 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.817 6.726 -19.771 1.00 1.00 H new ATOM 317 N ASP A 21 -5.356 4.397 -19.627 1.00 1.00 N ATOM 318 CA ASP A 21 -5.155 3.036 -20.095 1.00 1.00 C ATOM 319 C ASP A 21 -5.056 2.097 -18.891 1.00 1.00 C ATOM 320 O ASP A 21 -3.986 1.946 -18.302 1.00 1.00 O ATOM 321 CB ASP A 21 -3.857 2.916 -20.896 1.00 1.00 C ATOM 322 CG ASP A 21 -3.832 3.701 -22.209 1.00 1.00 C ATOM 323 OD1 ASP A 21 -4.406 4.811 -22.217 1.00 1.00 O ATOM 324 OD2 ASP A 21 -3.239 3.174 -23.174 1.00 1.00 O ATOM 0 H ASP A 21 -4.584 5.034 -19.824 1.00 1.00 H new ATOM 0 HA ASP A 21 -5.998 2.770 -20.732 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -3.030 3.255 -20.272 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -3.680 1.863 -21.116 1.00 1.00 H new ATOM 329 N ASN A 22 -6.187 1.490 -18.560 1.00 1.00 N ATOM 330 CA ASN A 22 -6.267 0.654 -17.375 1.00 1.00 C ATOM 331 C ASN A 22 -5.967 -0.797 -17.759 1.00 1.00 C ATOM 332 O ASN A 22 -6.755 -1.695 -17.469 1.00 1.00 O ATOM 333 CB ASN A 22 -7.669 0.700 -16.763 1.00 1.00 C ATOM 334 CG ASN A 22 -8.724 0.245 -17.772 1.00 1.00 C ATOM 335 OD1 ASN A 22 -8.722 0.633 -18.929 1.00 1.00 O ATOM 336 ND2 ASN A 22 -9.622 -0.598 -17.272 1.00 1.00 N ATOM 0 H ASN A 22 -7.054 1.561 -19.092 1.00 1.00 H new ATOM 0 HA ASN A 22 -5.544 1.026 -16.650 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -7.705 0.061 -15.881 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -7.892 1.714 -16.431 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -10.367 -0.961 -17.866 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -9.566 -0.882 -16.294 1.00 1.00 H new ATOM 343 N ASP A 23 -4.825 -0.980 -18.405 1.00 1.00 N ATOM 344 CA ASP A 23 -4.386 -2.312 -18.785 1.00 1.00 C ATOM 345 C ASP A 23 -3.237 -2.746 -17.872 1.00 1.00 C ATOM 346 O ASP A 23 -3.354 -3.733 -17.149 1.00 1.00 O ATOM 347 CB ASP A 23 -3.877 -2.333 -20.228 1.00 1.00 C ATOM 348 CG ASP A 23 -3.361 -3.690 -20.712 1.00 1.00 C ATOM 349 OD1 ASP A 23 -4.216 -4.523 -21.083 1.00 1.00 O ATOM 350 OD2 ASP A 23 -2.123 -3.863 -20.700 1.00 1.00 O ATOM 0 H ASP A 23 -4.190 -0.228 -18.675 1.00 1.00 H new ATOM 0 HA ASP A 23 -5.237 -2.987 -18.693 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -4.684 -2.012 -20.887 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -3.076 -1.601 -20.325 1.00 1.00 H new ATOM 355 N TYR A 24 -2.153 -1.986 -17.936 1.00 1.00 N ATOM 356 CA TYR A 24 -0.960 -2.321 -17.179 1.00 1.00 C ATOM 357 C TYR A 24 -1.180 -2.097 -15.681 1.00 1.00 C ATOM 358 O TYR A 24 -0.597 -2.796 -14.853 1.00 1.00 O ATOM 359 CB TYR A 24 0.132 -1.367 -17.669 1.00 1.00 C ATOM 360 CG TYR A 24 0.382 -1.430 -19.176 1.00 1.00 C ATOM 361 CD1 TYR A 24 0.879 -2.585 -19.745 1.00 1.00 C ATOM 362 CD2 TYR A 24 0.112 -0.332 -19.968 1.00 1.00 C ATOM 363 CE1 TYR A 24 1.116 -2.645 -21.165 1.00 1.00 C ATOM 364 CE2 TYR A 24 0.348 -0.393 -21.387 1.00 1.00 C ATOM 365 CZ TYR A 24 0.838 -1.546 -21.916 1.00 1.00 C ATOM 366 OH TYR A 24 1.061 -1.602 -23.256 1.00 1.00 O ATOM 0 H TYR A 24 -2.077 -1.140 -18.500 1.00 1.00 H new ATOM 0 HA TYR A 24 -0.696 -3.369 -17.323 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -0.143 -0.347 -17.399 1.00 1.00 H new ATOM 0 HB3 TYR A 24 1.061 -1.596 -17.147 1.00 1.00 H new ATOM 0 HD1 TYR A 24 1.090 -3.444 -19.126 1.00 1.00 H new ATOM 0 HD2 TYR A 24 -0.276 0.572 -19.523 1.00 1.00 H new ATOM 0 HE1 TYR A 24 1.506 -3.542 -21.622 1.00 1.00 H new ATOM 0 HE2 TYR A 24 0.140 0.459 -22.018 1.00 1.00 H new ATOM 0 HH TYR A 24 0.816 -0.745 -23.664 1.00 1.00 H new ATOM 376 N CYS A 25 -2.023 -1.121 -15.379 1.00 1.00 N ATOM 377 CA CYS A 25 -2.333 -0.800 -13.996 1.00 1.00 C ATOM 378 C CYS A 25 -3.201 -1.925 -13.426 1.00 1.00 C ATOM 379 O CYS A 25 -3.130 -2.226 -12.235 1.00 1.00 O ATOM 380 CB CYS A 25 -3.012 0.564 -13.869 1.00 1.00 C ATOM 381 SG CYS A 25 -1.885 1.998 -14.020 1.00 1.00 S ATOM 0 H CYS A 25 -2.501 -0.541 -16.069 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.410 -0.726 -13.422 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -3.783 0.643 -14.635 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -3.516 0.615 -12.904 1.00 1.00 H new ATOM 386 N LEU A 26 -4.001 -2.514 -14.303 1.00 1.00 N ATOM 387 CA LEU A 26 -4.714 -3.735 -13.964 1.00 1.00 C ATOM 388 C LEU A 26 -3.705 -4.851 -13.693 1.00 1.00 C ATOM 389 O LEU A 26 -3.776 -5.522 -12.664 1.00 1.00 O ATOM 390 CB LEU A 26 -5.735 -4.078 -15.051 1.00 1.00 C ATOM 391 CG LEU A 26 -7.151 -4.390 -14.565 1.00 1.00 C ATOM 392 CD1 LEU A 26 -8.120 -4.512 -15.743 1.00 1.00 C ATOM 393 CD2 LEU A 26 -7.165 -5.637 -13.679 1.00 1.00 C ATOM 0 H LEU A 26 -4.171 -2.169 -15.248 1.00 1.00 H new ATOM 0 HA LEU A 26 -5.291 -3.598 -13.049 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -5.787 -3.243 -15.749 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -5.366 -4.938 -15.610 1.00 1.00 H new ATOM 0 HG LEU A 26 -7.493 -3.556 -13.952 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -9.120 -4.734 -15.370 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -8.139 -3.573 -16.297 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -7.792 -5.316 -16.402 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -8.184 -5.836 -13.347 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -6.795 -6.491 -14.247 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -6.526 -5.474 -12.811 1.00 1.00 H new ATOM 405 N ARG A 27 -2.786 -5.017 -14.634 1.00 1.00 N ATOM 406 CA ARG A 27 -1.814 -6.093 -14.549 1.00 1.00 C ATOM 407 C ARG A 27 -1.062 -6.025 -13.218 1.00 1.00 C ATOM 408 O ARG A 27 -0.904 -7.038 -12.538 1.00 1.00 O ATOM 409 CB ARG A 27 -0.808 -6.018 -15.699 1.00 1.00 C ATOM 410 CG ARG A 27 -1.422 -6.539 -17.000 1.00 1.00 C ATOM 411 CD ARG A 27 -0.439 -6.401 -18.164 1.00 1.00 C ATOM 412 NE ARG A 27 -1.165 -6.028 -19.398 1.00 1.00 N ATOM 413 CZ ARG A 27 -1.711 -6.913 -20.245 1.00 1.00 C ATOM 414 NH1 ARG A 27 -1.820 -8.200 -19.891 1.00 1.00 N ATOM 415 NH2 ARG A 27 -2.149 -6.509 -21.446 1.00 1.00 N ATOM 0 H ARG A 27 -2.695 -4.424 -15.459 1.00 1.00 H new ATOM 0 HA ARG A 27 -2.356 -7.036 -14.616 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -0.481 -4.987 -15.834 1.00 1.00 H new ATOM 0 HB3 ARG A 27 0.078 -6.603 -15.451 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -1.704 -7.585 -16.880 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -2.335 -5.986 -17.223 1.00 1.00 H new ATOM 0 HD2 ARG A 27 0.310 -5.645 -17.930 1.00 1.00 H new ATOM 0 HD3 ARG A 27 0.093 -7.340 -18.315 1.00 1.00 H new ATOM 0 HE ARG A 27 -1.256 -5.036 -19.618 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -1.488 -8.507 -18.977 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -2.235 -8.873 -20.535 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -2.067 -5.529 -21.715 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -2.564 -7.182 -22.090 1.00 1.00 H new ATOM 429 N GLU A 28 -0.617 -4.822 -12.886 1.00 1.00 N ATOM 430 CA GLU A 28 0.102 -4.607 -11.642 1.00 1.00 C ATOM 431 C GLU A 28 -0.752 -5.049 -10.453 1.00 1.00 C ATOM 432 O GLU A 28 -0.301 -5.830 -9.616 1.00 1.00 O ATOM 433 CB GLU A 28 0.526 -3.143 -11.500 1.00 1.00 C ATOM 434 CG GLU A 28 1.958 -2.935 -11.995 1.00 1.00 C ATOM 435 CD GLU A 28 2.048 -3.122 -13.511 1.00 1.00 C ATOM 436 OE1 GLU A 28 2.092 -4.297 -13.936 1.00 1.00 O ATOM 437 OE2 GLU A 28 2.069 -2.087 -14.210 1.00 1.00 O ATOM 0 H GLU A 28 -0.741 -3.986 -13.457 1.00 1.00 H new ATOM 0 HA GLU A 28 1.008 -5.213 -11.658 1.00 1.00 H new ATOM 0 HB2 GLU A 28 -0.154 -2.507 -12.067 1.00 1.00 H new ATOM 0 HB3 GLU A 28 0.451 -2.839 -10.456 1.00 1.00 H new ATOM 0 HG2 GLU A 28 2.297 -1.934 -11.728 1.00 1.00 H new ATOM 0 HG3 GLU A 28 2.624 -3.640 -11.498 1.00 1.00 H new ATOM 444 N CYS A 29 -1.971 -4.531 -10.414 1.00 1.00 N ATOM 445 CA CYS A 29 -2.890 -4.859 -9.339 1.00 1.00 C ATOM 446 C CYS A 29 -3.021 -6.381 -9.266 1.00 1.00 C ATOM 447 O CYS A 29 -3.065 -6.953 -8.178 1.00 1.00 O ATOM 448 CB CYS A 29 -4.247 -4.179 -9.528 1.00 1.00 C ATOM 449 SG CYS A 29 -5.055 -3.633 -7.979 1.00 1.00 S ATOM 0 H CYS A 29 -2.343 -3.886 -11.111 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.497 -4.483 -8.394 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.116 -3.314 -10.178 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -4.914 -4.868 -10.046 1.00 1.00 H new ATOM 454 N LYS A 30 -3.077 -6.995 -10.439 1.00 1.00 N ATOM 455 CA LYS A 30 -3.466 -8.392 -10.534 1.00 1.00 C ATOM 456 C LYS A 30 -2.287 -9.275 -10.118 1.00 1.00 C ATOM 457 O LYS A 30 -2.477 -10.422 -9.719 1.00 1.00 O ATOM 458 CB LYS A 30 -4.005 -8.703 -11.932 1.00 1.00 C ATOM 459 CG LYS A 30 -5.398 -9.330 -11.855 1.00 1.00 C ATOM 460 CD LYS A 30 -5.316 -10.804 -11.450 1.00 1.00 C ATOM 461 CE LYS A 30 -6.695 -11.347 -11.074 1.00 1.00 C ATOM 462 NZ LYS A 30 -6.571 -12.665 -10.413 1.00 1.00 N ATOM 0 H LYS A 30 -2.860 -6.551 -11.331 1.00 1.00 H new ATOM 0 HA LYS A 30 -4.284 -8.608 -9.847 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -4.047 -7.787 -12.522 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -3.324 -9.382 -12.445 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -6.007 -8.785 -11.134 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -5.894 -9.242 -12.822 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -4.903 -11.388 -12.272 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -4.635 -10.916 -10.606 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -7.199 -10.646 -10.409 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -7.312 -11.439 -11.968 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -7.439 -13.215 -10.571 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -5.759 -13.178 -10.811 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -6.428 -12.529 -9.392 1.00 1.00 H new ATOM 476 N GLN A 31 -1.095 -8.706 -10.228 1.00 1.00 N ATOM 477 CA GLN A 31 0.088 -9.336 -9.669 1.00 1.00 C ATOM 478 C GLN A 31 0.589 -8.546 -8.458 1.00 1.00 C ATOM 479 O GLN A 31 1.738 -8.107 -8.430 1.00 1.00 O ATOM 480 CB GLN A 31 1.186 -9.475 -10.725 1.00 1.00 C ATOM 481 CG GLN A 31 0.691 -10.280 -11.928 1.00 1.00 C ATOM 482 CD GLN A 31 1.503 -9.948 -13.182 1.00 1.00 C ATOM 483 OE1 GLN A 31 2.341 -10.714 -13.632 1.00 1.00 O ATOM 484 NE2 GLN A 31 1.211 -8.767 -13.719 1.00 1.00 N ATOM 0 H GLN A 31 -0.924 -7.816 -10.696 1.00 1.00 H new ATOM 0 HA GLN A 31 -0.181 -10.339 -9.338 1.00 1.00 H new ATOM 0 HB2 GLN A 31 1.508 -8.486 -11.052 1.00 1.00 H new ATOM 0 HB3 GLN A 31 2.056 -9.965 -10.288 1.00 1.00 H new ATOM 0 HG2 GLN A 31 0.767 -11.346 -11.713 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -0.363 -10.065 -12.105 1.00 1.00 H new ATOM 0 HE21 GLN A 31 0.499 -8.175 -13.292 1.00 1.00 H new ATOM 0 HE22 GLN A 31 1.699 -8.453 -14.558 1.00 1.00 H new ATOM 493 N GLN A 32 -0.298 -8.388 -7.486 1.00 1.00 N ATOM 494 CA GLN A 32 0.116 -8.349 -6.095 1.00 1.00 C ATOM 495 C GLN A 32 -1.104 -8.205 -5.182 1.00 1.00 C ATOM 496 O GLN A 32 -1.061 -8.594 -4.015 1.00 1.00 O ATOM 497 CB GLN A 32 1.119 -7.220 -5.852 1.00 1.00 C ATOM 498 CG GLN A 32 0.592 -5.892 -6.401 1.00 1.00 C ATOM 499 CD GLN A 32 1.733 -5.037 -6.956 1.00 1.00 C ATOM 500 OE1 GLN A 32 2.384 -4.288 -6.246 1.00 1.00 O ATOM 501 NE2 GLN A 32 1.938 -5.190 -8.260 1.00 1.00 N ATOM 0 H GLN A 32 -1.302 -8.286 -7.635 1.00 1.00 H new ATOM 0 HA GLN A 32 0.614 -9.289 -5.858 1.00 1.00 H new ATOM 0 HB2 GLN A 32 1.313 -7.125 -4.784 1.00 1.00 H new ATOM 0 HB3 GLN A 32 2.069 -7.463 -6.328 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -0.139 -6.084 -7.187 1.00 1.00 H new ATOM 0 HG3 GLN A 32 0.075 -5.347 -5.611 1.00 1.00 H new ATOM 0 HE21 GLN A 32 1.356 -5.834 -8.796 1.00 1.00 H new ATOM 0 HE22 GLN A 32 2.677 -4.663 -8.725 1.00 1.00 H new ATOM 510 N TYR A 33 -2.163 -7.645 -5.747 1.00 1.00 N ATOM 511 CA TYR A 33 -3.503 -7.907 -5.251 1.00 1.00 C ATOM 512 C TYR A 33 -4.283 -8.796 -6.222 1.00 1.00 C ATOM 513 O TYR A 33 -5.439 -8.514 -6.536 1.00 1.00 O ATOM 514 CB TYR A 33 -4.193 -6.545 -5.158 1.00 1.00 C ATOM 515 CG TYR A 33 -3.661 -5.653 -4.034 1.00 1.00 C ATOM 516 CD1 TYR A 33 -2.587 -4.819 -4.266 1.00 1.00 C ATOM 517 CD2 TYR A 33 -4.257 -5.684 -2.790 1.00 1.00 C ATOM 518 CE1 TYR A 33 -2.086 -3.979 -3.208 1.00 1.00 C ATOM 519 CE2 TYR A 33 -3.756 -4.845 -1.732 1.00 1.00 C ATOM 520 CZ TYR A 33 -2.696 -4.034 -1.993 1.00 1.00 C ATOM 521 OH TYR A 33 -2.223 -3.241 -0.994 1.00 1.00 O ATOM 0 H TYR A 33 -2.120 -7.010 -6.544 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.463 -8.421 -4.291 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -4.075 -6.024 -6.108 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -5.262 -6.700 -5.010 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.122 -4.796 -5.240 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.098 -6.337 -2.610 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -1.246 -3.321 -3.375 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -4.212 -4.860 -0.753 1.00 1.00 H new ATOM 0 HH TYR A 33 -2.156 -2.317 -1.314 1.00 1.00 H new ATOM 531 N GLY A 34 -3.620 -9.851 -6.671 1.00 1.00 N ATOM 532 CA GLY A 34 -4.226 -10.766 -7.623 1.00 1.00 C ATOM 533 C GLY A 34 -5.435 -11.474 -7.009 1.00 1.00 C ATOM 534 O GLY A 34 -6.161 -12.186 -7.703 1.00 1.00 O ATOM 0 H GLY A 34 -2.669 -10.093 -6.393 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -4.534 -10.218 -8.514 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -3.491 -11.505 -7.942 1.00 1.00 H new ATOM 538 N LYS A 35 -5.614 -11.256 -5.715 1.00 1.00 N ATOM 539 CA LYS A 35 -6.812 -11.722 -5.036 1.00 1.00 C ATOM 540 C LYS A 35 -7.996 -10.840 -5.438 1.00 1.00 C ATOM 541 O LYS A 35 -8.543 -10.114 -4.609 1.00 1.00 O ATOM 542 CB LYS A 35 -6.581 -11.789 -3.525 1.00 1.00 C ATOM 543 CG LYS A 35 -5.560 -12.874 -3.175 1.00 1.00 C ATOM 544 CD LYS A 35 -5.296 -12.912 -1.668 1.00 1.00 C ATOM 545 CE LYS A 35 -4.279 -14.001 -1.317 1.00 1.00 C ATOM 546 NZ LYS A 35 -4.028 -14.024 0.141 1.00 1.00 N ATOM 0 H LYS A 35 -4.950 -10.763 -5.118 1.00 1.00 H new ATOM 0 HA LYS A 35 -7.052 -12.740 -5.344 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -6.229 -10.823 -3.164 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -7.524 -11.994 -3.018 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -5.927 -13.845 -3.508 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -4.627 -12.686 -3.707 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -4.925 -11.942 -1.335 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -6.229 -13.096 -1.136 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -4.650 -14.972 -1.644 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -3.345 -13.821 -1.850 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -3.336 -14.768 0.362 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -3.654 -13.102 0.443 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -4.918 -14.218 0.643 1.00 1.00 H new ATOM 560 N GLY A 36 -8.356 -10.932 -6.710 1.00 1.00 N ATOM 561 CA GLY A 36 -9.663 -10.476 -7.152 1.00 1.00 C ATOM 562 C GLY A 36 -9.811 -8.965 -6.959 1.00 1.00 C ATOM 563 O GLY A 36 -10.859 -8.491 -6.523 1.00 1.00 O ATOM 0 H GLY A 36 -7.766 -11.315 -7.448 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -9.803 -10.727 -8.203 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -10.441 -10.996 -6.593 1.00 1.00 H new ATOM 567 N ALA A 37 -8.746 -8.251 -7.293 1.00 1.00 N ATOM 568 CA ALA A 37 -8.773 -6.799 -7.242 1.00 1.00 C ATOM 569 C ALA A 37 -8.826 -6.244 -8.668 1.00 1.00 C ATOM 570 O ALA A 37 -8.656 -6.987 -9.633 1.00 1.00 O ATOM 571 CB ALA A 37 -7.556 -6.293 -6.465 1.00 1.00 C ATOM 0 H ALA A 37 -7.859 -8.651 -7.600 1.00 1.00 H new ATOM 0 HA ALA A 37 -9.663 -6.450 -6.718 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -7.576 -5.204 -6.427 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -7.580 -6.692 -5.451 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -6.644 -6.622 -6.963 1.00 1.00 H new ATOM 577 N GLY A 38 -9.061 -4.943 -8.753 1.00 1.00 N ATOM 578 CA GLY A 38 -8.894 -4.234 -10.010 1.00 1.00 C ATOM 579 C GLY A 38 -8.397 -2.806 -9.772 1.00 1.00 C ATOM 580 O GLY A 38 -8.113 -2.425 -8.638 1.00 1.00 O ATOM 0 H GLY A 38 -9.366 -4.362 -7.972 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -8.185 -4.769 -10.642 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -9.843 -4.208 -10.546 1.00 1.00 H new ATOM 584 N GLY A 39 -8.308 -2.056 -10.860 1.00 1.00 N ATOM 585 CA GLY A 39 -7.659 -0.756 -10.822 1.00 1.00 C ATOM 586 C GLY A 39 -7.646 -0.108 -12.208 1.00 1.00 C ATOM 587 O GLY A 39 -8.137 -0.691 -13.174 1.00 1.00 O ATOM 0 H GLY A 39 -8.674 -2.323 -11.774 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -8.179 -0.106 -10.118 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.637 -0.866 -10.459 1.00 1.00 H new ATOM 591 N TYR A 40 -7.078 1.088 -12.262 1.00 1.00 N ATOM 592 CA TYR A 40 -6.886 1.768 -13.532 1.00 1.00 C ATOM 593 C TYR A 40 -5.795 2.836 -13.421 1.00 1.00 C ATOM 594 O TYR A 40 -5.277 3.089 -12.335 1.00 1.00 O ATOM 595 CB TYR A 40 -8.217 2.447 -13.854 1.00 1.00 C ATOM 596 CG TYR A 40 -8.917 3.053 -12.636 1.00 1.00 C ATOM 597 CD1 TYR A 40 -8.384 4.165 -12.017 1.00 1.00 C ATOM 598 CD2 TYR A 40 -10.082 2.488 -12.157 1.00 1.00 C ATOM 599 CE1 TYR A 40 -9.043 4.736 -10.871 1.00 1.00 C ATOM 600 CE2 TYR A 40 -10.740 3.060 -11.010 1.00 1.00 C ATOM 601 CZ TYR A 40 -10.188 4.155 -10.424 1.00 1.00 C ATOM 602 OH TYR A 40 -10.810 4.694 -9.341 1.00 1.00 O ATOM 0 H TYR A 40 -6.745 1.603 -11.447 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.582 1.061 -14.304 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -8.044 3.233 -14.589 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.882 1.718 -14.317 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.473 4.607 -12.392 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -10.500 1.618 -12.642 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -8.637 5.607 -10.378 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -11.652 2.628 -10.624 1.00 1.00 H new ATOM 0 HH TYR A 40 -10.237 4.595 -8.552 1.00 1.00 H new ATOM 612 N CYS A 41 -5.481 3.435 -14.560 1.00 1.00 N ATOM 613 CA CYS A 41 -4.390 4.391 -14.627 1.00 1.00 C ATOM 614 C CYS A 41 -4.975 5.799 -14.497 1.00 1.00 C ATOM 615 O CYS A 41 -5.627 6.291 -15.416 1.00 1.00 O ATOM 616 CB CYS A 41 -3.572 4.229 -15.910 1.00 1.00 C ATOM 617 SG CYS A 41 -1.966 5.107 -15.913 1.00 1.00 S ATOM 0 H CYS A 41 -5.964 3.276 -15.444 1.00 1.00 H new ATOM 0 HA CYS A 41 -3.695 4.210 -13.807 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -3.390 3.167 -16.076 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -4.167 4.586 -16.751 1.00 1.00 H new ATOM 622 N TYR A 42 -4.721 6.407 -13.348 1.00 1.00 N ATOM 623 CA TYR A 42 -5.047 7.809 -13.155 1.00 1.00 C ATOM 624 C TYR A 42 -3.948 8.711 -13.722 1.00 1.00 C ATOM 625 O TYR A 42 -3.016 8.230 -14.364 1.00 1.00 O ATOM 626 CB TYR A 42 -5.132 8.020 -11.642 1.00 1.00 C ATOM 627 CG TYR A 42 -6.477 8.570 -11.165 1.00 1.00 C ATOM 628 CD1 TYR A 42 -7.650 7.945 -11.539 1.00 1.00 C ATOM 629 CD2 TYR A 42 -6.519 9.690 -10.360 1.00 1.00 C ATOM 630 CE1 TYR A 42 -8.916 8.463 -11.090 1.00 1.00 C ATOM 631 CE2 TYR A 42 -7.785 10.208 -9.911 1.00 1.00 C ATOM 632 CZ TYR A 42 -8.921 9.570 -10.298 1.00 1.00 C ATOM 633 OH TYR A 42 -10.117 10.058 -9.873 1.00 1.00 O ATOM 0 H TYR A 42 -4.293 5.954 -12.541 1.00 1.00 H new ATOM 0 HA TYR A 42 -5.978 8.059 -13.664 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -4.941 7.070 -11.142 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -4.342 8.706 -11.336 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -7.618 7.068 -12.168 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -5.601 10.178 -10.067 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -9.841 7.984 -11.375 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -7.831 11.084 -9.281 1.00 1.00 H new ATOM 0 HH TYR A 42 -9.968 10.850 -9.315 1.00 1.00 H new ATOM 643 N ALA A 43 -4.093 10.002 -13.464 1.00 1.00 N ATOM 644 CA ALA A 43 -3.443 11.008 -14.285 1.00 1.00 C ATOM 645 C ALA A 43 -1.962 10.654 -14.440 1.00 1.00 C ATOM 646 O ALA A 43 -1.394 10.804 -15.521 1.00 1.00 O ATOM 647 CB ALA A 43 -3.650 12.389 -13.661 1.00 1.00 C ATOM 0 H ALA A 43 -4.652 10.375 -12.697 1.00 1.00 H new ATOM 0 HA ALA A 43 -3.883 11.032 -15.282 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -3.162 13.144 -14.278 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -4.717 12.605 -13.600 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -3.219 12.404 -12.660 1.00 1.00 H new ATOM 653 N PHE A 44 -1.380 10.191 -13.344 1.00 1.00 N ATOM 654 CA PHE A 44 -0.185 9.369 -13.421 1.00 1.00 C ATOM 655 C PHE A 44 0.030 8.588 -12.123 1.00 1.00 C ATOM 656 O PHE A 44 0.940 8.893 -11.354 1.00 1.00 O ATOM 657 CB PHE A 44 0.997 10.317 -13.633 1.00 1.00 C ATOM 658 CG PHE A 44 1.133 10.832 -15.067 1.00 1.00 C ATOM 659 CD1 PHE A 44 1.330 9.957 -16.089 1.00 1.00 C ATOM 660 CD2 PHE A 44 1.056 12.166 -15.321 1.00 1.00 C ATOM 661 CE1 PHE A 44 1.455 10.435 -17.420 1.00 1.00 C ATOM 662 CE2 PHE A 44 1.181 12.645 -16.652 1.00 1.00 C ATOM 663 CZ PHE A 44 1.378 11.769 -17.673 1.00 1.00 C ATOM 0 H PHE A 44 -1.714 10.370 -12.397 1.00 1.00 H new ATOM 0 HA PHE A 44 -0.281 8.649 -14.234 1.00 1.00 H new ATOM 0 HB2 PHE A 44 0.892 11.168 -12.961 1.00 1.00 H new ATOM 0 HB3 PHE A 44 1.917 9.803 -13.354 1.00 1.00 H new ATOM 0 HD1 PHE A 44 1.391 8.898 -15.888 1.00 1.00 H new ATOM 0 HD2 PHE A 44 0.900 12.862 -14.510 1.00 1.00 H new ATOM 0 HE1 PHE A 44 1.611 9.739 -18.231 1.00 1.00 H new ATOM 0 HE2 PHE A 44 1.120 13.704 -16.853 1.00 1.00 H new ATOM 0 HZ PHE A 44 1.473 12.133 -18.685 1.00 1.00 H new ATOM 673 N ALA A 45 -0.825 7.596 -11.920 1.00 1.00 N ATOM 674 CA ALA A 45 -0.486 6.484 -11.048 1.00 1.00 C ATOM 675 C ALA A 45 -1.604 5.441 -11.102 1.00 1.00 C ATOM 676 O ALA A 45 -2.702 5.726 -11.575 1.00 1.00 O ATOM 677 CB ALA A 45 -0.240 7.002 -9.629 1.00 1.00 C ATOM 0 H ALA A 45 -1.751 7.539 -12.344 1.00 1.00 H new ATOM 0 HA ALA A 45 0.433 6.001 -11.382 1.00 1.00 H new ATOM 0 HB1 ALA A 45 0.014 6.167 -8.976 1.00 1.00 H new ATOM 0 HB2 ALA A 45 0.582 7.717 -9.640 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -1.141 7.491 -9.259 1.00 1.00 H new ATOM 683 N CYS A 46 -1.285 4.252 -10.609 1.00 1.00 N ATOM 684 CA CYS A 46 -2.177 3.115 -10.762 1.00 1.00 C ATOM 685 C CYS A 46 -3.059 3.027 -9.516 1.00 1.00 C ATOM 686 O CYS A 46 -2.605 2.595 -8.458 1.00 1.00 O ATOM 687 CB CYS A 46 -1.403 1.818 -11.007 1.00 1.00 C ATOM 688 SG CYS A 46 -0.483 1.760 -12.587 1.00 1.00 S ATOM 0 H CYS A 46 -0.422 4.052 -10.104 1.00 1.00 H new ATOM 0 HA CYS A 46 -2.805 3.257 -11.641 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -0.699 1.671 -10.188 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -2.103 0.983 -10.980 1.00 1.00 H new ATOM 693 N TRP A 47 -4.306 3.443 -9.682 1.00 1.00 N ATOM 694 CA TRP A 47 -5.243 3.464 -8.571 1.00 1.00 C ATOM 695 C TRP A 47 -6.013 2.142 -8.577 1.00 1.00 C ATOM 696 O TRP A 47 -6.683 1.816 -9.556 1.00 1.00 O ATOM 697 CB TRP A 47 -6.156 4.688 -8.647 1.00 1.00 C ATOM 698 CG TRP A 47 -7.264 4.707 -7.592 1.00 1.00 C ATOM 699 CD1 TRP A 47 -8.348 3.923 -7.523 1.00 1.00 C ATOM 700 CD2 TRP A 47 -7.350 5.585 -6.451 1.00 1.00 C ATOM 701 NE1 TRP A 47 -9.125 4.232 -6.424 1.00 1.00 N ATOM 702 CE2 TRP A 47 -8.499 5.275 -5.752 1.00 1.00 C ATOM 703 CE3 TRP A 47 -6.487 6.609 -6.023 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -8.889 5.941 -4.585 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -6.891 7.265 -4.854 1.00 1.00 C ATOM 706 CH2 TRP A 47 -8.045 6.964 -4.139 1.00 1.00 C ATOM 0 H TRP A 47 -4.690 3.768 -10.569 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.714 3.554 -7.622 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.550 5.587 -8.538 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.611 4.728 -9.637 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.584 3.147 -8.237 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -9.998 3.778 -6.155 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -5.583 6.869 -6.554 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -9.794 5.679 -4.056 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -6.262 8.060 -4.482 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -8.289 7.517 -3.244 1.00 1.00 H new ATOM 717 N CYS A 48 -5.893 1.418 -7.475 1.00 1.00 N ATOM 718 CA CYS A 48 -6.569 0.139 -7.342 1.00 1.00 C ATOM 719 C CYS A 48 -7.814 0.341 -6.478 1.00 1.00 C ATOM 720 O CYS A 48 -7.802 1.137 -5.541 1.00 1.00 O ATOM 721 CB CYS A 48 -5.641 -0.932 -6.764 1.00 1.00 C ATOM 722 SG CYS A 48 -4.454 -1.647 -7.961 1.00 1.00 S ATOM 0 H CYS A 48 -5.337 1.693 -6.665 1.00 1.00 H new ATOM 0 HA CYS A 48 -6.867 -0.223 -8.326 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -5.082 -0.499 -5.934 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -6.250 -1.737 -6.353 1.00 1.00 H new ATOM 727 N THR A 49 -8.862 -0.394 -6.825 1.00 1.00 N ATOM 728 CA THR A 49 -10.210 -0.001 -6.448 1.00 1.00 C ATOM 729 C THR A 49 -11.114 -1.230 -6.349 1.00 1.00 C ATOM 730 O THR A 49 -12.255 -1.206 -6.808 1.00 1.00 O ATOM 731 CB THR A 49 -10.700 1.034 -7.462 1.00 1.00 C ATOM 732 OG1 THR A 49 -12.073 1.221 -7.130 1.00 1.00 O ATOM 733 CG2 THR A 49 -10.735 0.485 -8.890 1.00 1.00 C ATOM 0 H THR A 49 -8.805 -1.259 -7.363 1.00 1.00 H new ATOM 0 HA THR A 49 -10.228 0.457 -5.459 1.00 1.00 H new ATOM 0 HB THR A 49 -10.054 1.911 -7.426 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.564 0.387 -7.285 1.00 1.00 H new ATOM 0 HG21 THR A 49 -11.090 1.260 -9.569 1.00 1.00 H new ATOM 0 HG22 THR A 49 -9.733 0.175 -9.185 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.407 -0.372 -8.934 1.00 1.00 H new ATOM 741 N HIS A 50 -10.572 -2.278 -5.744 1.00 1.00 N ATOM 742 CA HIS A 50 -11.387 -3.403 -5.321 1.00 1.00 C ATOM 743 C HIS A 50 -10.599 -4.266 -4.334 1.00 1.00 C ATOM 744 O HIS A 50 -10.418 -5.462 -4.556 1.00 1.00 O ATOM 745 CB HIS A 50 -11.891 -4.194 -6.529 1.00 1.00 C ATOM 746 CG HIS A 50 -13.170 -4.955 -6.277 1.00 1.00 C ATOM 747 ND1 HIS A 50 -14.316 -4.354 -5.785 1.00 1.00 N ATOM 748 CD2 HIS A 50 -13.473 -6.274 -6.452 1.00 1.00 C ATOM 749 CE1 HIS A 50 -15.259 -5.277 -5.674 1.00 1.00 C ATOM 750 NE2 HIS A 50 -14.735 -6.467 -6.087 1.00 1.00 N ATOM 0 H HIS A 50 -9.578 -2.371 -5.537 1.00 1.00 H new ATOM 0 HA HIS A 50 -12.274 -3.039 -4.803 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -12.048 -3.507 -7.360 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -11.117 -4.897 -6.838 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -12.800 -7.032 -6.824 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -16.266 -5.116 -5.319 1.00 1.00 H new ATOM 0 HE2 HIS A 50 -15.231 -7.358 -6.111 1.00 1.00 H new ATOM 758 N LEU A 51 -10.151 -3.625 -3.264 1.00 1.00 N ATOM 759 CA LEU A 51 -9.175 -4.239 -2.378 1.00 1.00 C ATOM 760 C LEU A 51 -9.878 -4.720 -1.107 1.00 1.00 C ATOM 761 O LEU A 51 -11.087 -4.548 -0.959 1.00 1.00 O ATOM 762 CB LEU A 51 -8.015 -3.277 -2.113 1.00 1.00 C ATOM 763 CG LEU A 51 -7.345 -2.677 -3.351 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.622 -1.373 -3.005 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.412 -3.691 -4.015 1.00 1.00 C ATOM 0 H LEU A 51 -10.445 -2.687 -2.990 1.00 1.00 H new ATOM 0 HA LEU A 51 -8.731 -5.117 -2.848 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -8.381 -2.460 -1.491 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.257 -3.804 -1.534 1.00 1.00 H new ATOM 0 HG LEU A 51 -8.122 -2.432 -4.075 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -6.154 -0.967 -3.902 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -7.339 -0.652 -2.612 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.857 -1.569 -2.254 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -5.949 -3.239 -4.892 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -5.637 -3.990 -3.309 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.984 -4.568 -4.318 1.00 1.00 H new ATOM 777 N TYR A 52 -9.090 -5.313 -0.223 1.00 1.00 N ATOM 778 CA TYR A 52 -9.592 -5.705 1.083 1.00 1.00 C ATOM 779 C TYR A 52 -9.023 -4.804 2.181 1.00 1.00 C ATOM 780 O TYR A 52 -8.364 -3.806 1.891 1.00 1.00 O ATOM 781 CB TYR A 52 -9.105 -7.137 1.311 1.00 1.00 C ATOM 782 CG TYR A 52 -7.983 -7.571 0.366 1.00 1.00 C ATOM 783 CD1 TYR A 52 -8.286 -8.037 -0.897 1.00 1.00 C ATOM 784 CD2 TYR A 52 -6.667 -7.496 0.776 1.00 1.00 C ATOM 785 CE1 TYR A 52 -7.230 -8.444 -1.787 1.00 1.00 C ATOM 786 CE2 TYR A 52 -5.612 -7.903 -0.113 1.00 1.00 C ATOM 787 CZ TYR A 52 -5.944 -8.358 -1.351 1.00 1.00 C ATOM 788 OH TYR A 52 -4.947 -8.743 -2.191 1.00 1.00 O ATOM 0 H TYR A 52 -8.107 -5.532 -0.385 1.00 1.00 H new ATOM 0 HA TYR A 52 -10.678 -5.624 1.117 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -8.757 -7.232 2.340 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -9.947 -7.819 1.196 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -9.315 -8.096 -1.218 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -6.429 -7.132 1.765 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -7.454 -8.809 -2.778 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -4.579 -7.848 0.196 1.00 1.00 H new ATOM 0 HH TYR A 52 -4.429 -7.958 -2.466 1.00 1.00 H new ATOM 798 N GLU A 53 -9.299 -5.188 3.419 1.00 1.00 N ATOM 799 CA GLU A 53 -8.861 -4.403 4.560 1.00 1.00 C ATOM 800 C GLU A 53 -7.349 -4.174 4.499 1.00 1.00 C ATOM 801 O GLU A 53 -6.846 -3.189 5.036 1.00 1.00 O ATOM 802 CB GLU A 53 -9.260 -5.077 5.875 1.00 1.00 C ATOM 803 CG GLU A 53 -8.996 -4.155 7.067 1.00 1.00 C ATOM 804 CD GLU A 53 -9.582 -4.740 8.353 1.00 1.00 C ATOM 805 OE1 GLU A 53 -10.766 -4.443 8.625 1.00 1.00 O ATOM 806 OE2 GLU A 53 -8.834 -5.471 9.037 1.00 1.00 O ATOM 0 H GLU A 53 -9.820 -6.032 3.656 1.00 1.00 H new ATOM 0 HA GLU A 53 -9.358 -3.433 4.521 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -10.316 -5.344 5.845 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -8.700 -6.004 5.997 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -7.923 -4.008 7.186 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -9.433 -3.175 6.877 1.00 1.00 H new ATOM 813 N GLN A 54 -6.669 -5.101 3.840 1.00 1.00 N ATOM 814 CA GLN A 54 -5.228 -5.002 3.686 1.00 1.00 C ATOM 815 C GLN A 54 -4.881 -4.261 2.392 1.00 1.00 C ATOM 816 O GLN A 54 -3.861 -4.542 1.765 1.00 1.00 O ATOM 817 CB GLN A 54 -4.578 -6.387 3.716 1.00 1.00 C ATOM 818 CG GLN A 54 -3.514 -6.470 4.812 1.00 1.00 C ATOM 819 CD GLN A 54 -2.453 -7.517 4.470 1.00 1.00 C ATOM 820 OE1 GLN A 54 -1.438 -7.233 3.854 1.00 1.00 O ATOM 821 NE2 GLN A 54 -2.743 -8.741 4.900 1.00 1.00 N ATOM 0 H GLN A 54 -7.089 -5.923 3.407 1.00 1.00 H new ATOM 0 HA GLN A 54 -4.831 -4.431 4.525 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -5.341 -7.147 3.886 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -4.125 -6.601 2.748 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -3.041 -5.496 4.939 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -3.985 -6.722 5.762 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -3.610 -8.910 5.410 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -2.098 -9.511 4.720 1.00 1.00 H new ATOM 830 N ALA A 55 -5.752 -3.330 2.030 1.00 1.00 N ATOM 831 CA ALA A 55 -5.395 -2.311 1.058 1.00 1.00 C ATOM 832 C ALA A 55 -4.281 -1.433 1.630 1.00 1.00 C ATOM 833 O ALA A 55 -4.541 -0.534 2.427 1.00 1.00 O ATOM 834 CB ALA A 55 -6.640 -1.504 0.685 1.00 1.00 C ATOM 0 H ALA A 55 -6.703 -3.260 2.392 1.00 1.00 H new ATOM 0 HA ALA A 55 -5.016 -2.769 0.144 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -6.373 -0.739 -0.044 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -7.389 -2.169 0.256 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -7.046 -1.028 1.578 1.00 1.00 H new ATOM 840 N ILE A 56 -3.062 -1.724 1.198 1.00 1.00 N ATOM 841 CA ILE A 56 -1.949 -0.822 1.438 1.00 1.00 C ATOM 842 C ILE A 56 -1.673 -0.011 0.170 1.00 1.00 C ATOM 843 O ILE A 56 -1.707 -0.550 -0.935 1.00 1.00 O ATOM 844 CB ILE A 56 -0.732 -1.596 1.949 1.00 1.00 C ATOM 845 CG1 ILE A 56 -1.150 -2.676 2.949 1.00 1.00 C ATOM 846 CG2 ILE A 56 0.316 -0.647 2.534 1.00 1.00 C ATOM 847 CD1 ILE A 56 -1.788 -2.054 4.192 1.00 1.00 C ATOM 0 H ILE A 56 -2.821 -2.571 0.684 1.00 1.00 H new ATOM 0 HA ILE A 56 -2.199 -0.110 2.225 1.00 1.00 H new ATOM 0 HB ILE A 56 -0.269 -2.103 1.102 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -1.855 -3.360 2.477 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -0.280 -3.265 3.239 1.00 1.00 H new ATOM 0 HG21 ILE A 56 1.170 -1.223 2.890 1.00 1.00 H new ATOM 0 HG22 ILE A 56 0.644 0.051 1.764 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -0.119 -0.092 3.365 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -2.076 -2.843 4.887 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -1.072 -1.389 4.675 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -2.672 -1.486 3.902 1.00 1.00 H new ATOM 859 N VAL A 57 -1.407 1.271 0.372 1.00 1.00 N ATOM 860 CA VAL A 57 -1.339 2.205 -0.739 1.00 1.00 C ATOM 861 C VAL A 57 -0.165 3.162 -0.526 1.00 1.00 C ATOM 862 O VAL A 57 0.127 3.548 0.605 1.00 1.00 O ATOM 863 CB VAL A 57 -2.679 2.929 -0.896 1.00 1.00 C ATOM 864 CG1 VAL A 57 -3.505 2.837 0.388 1.00 1.00 C ATOM 865 CG2 VAL A 57 -2.469 4.386 -1.310 1.00 1.00 C ATOM 0 H VAL A 57 -1.236 1.685 1.288 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.159 1.674 -1.673 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.238 2.433 -1.690 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -4.452 3.359 0.250 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -3.699 1.790 0.622 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -2.954 3.296 1.209 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.436 4.878 -1.415 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.882 4.899 -0.549 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.939 4.421 -2.262 1.00 1.00 H new ATOM 875 N TRP A 58 0.477 3.516 -1.629 1.00 1.00 N ATOM 876 CA TRP A 58 1.828 4.045 -1.572 1.00 1.00 C ATOM 877 C TRP A 58 1.805 5.310 -0.712 1.00 1.00 C ATOM 878 O TRP A 58 0.779 5.982 -0.617 1.00 1.00 O ATOM 879 CB TRP A 58 2.382 4.288 -2.977 1.00 1.00 C ATOM 880 CG TRP A 58 3.766 4.941 -2.997 1.00 1.00 C ATOM 881 CD1 TRP A 58 4.961 4.340 -3.078 1.00 1.00 C ATOM 882 CD2 TRP A 58 4.050 6.354 -2.930 1.00 1.00 C ATOM 883 NE1 TRP A 58 5.991 5.259 -3.068 1.00 1.00 N ATOM 884 CE2 TRP A 58 5.420 6.522 -2.976 1.00 1.00 C ATOM 885 CE3 TRP A 58 3.180 7.454 -2.835 1.00 1.00 C ATOM 886 CZ2 TRP A 58 6.040 7.777 -2.932 1.00 1.00 C ATOM 887 CZ3 TRP A 58 3.815 8.701 -2.792 1.00 1.00 C ATOM 888 CH2 TRP A 58 5.192 8.887 -2.836 1.00 1.00 C ATOM 0 H TRP A 58 0.086 3.447 -2.568 1.00 1.00 H new ATOM 0 HA TRP A 58 2.505 3.324 -1.113 1.00 1.00 H new ATOM 0 HB2 TRP A 58 2.433 3.336 -3.506 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.685 4.921 -3.527 1.00 1.00 H new ATOM 0 HD1 TRP A 58 5.101 3.271 -3.143 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.988 5.049 -3.119 1.00 1.00 H new ATOM 0 HE3 TRP A 58 2.106 7.346 -2.798 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 7.114 7.883 -2.970 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 3.192 9.580 -2.720 1.00 1.00 H new ATOM 0 HH2 TRP A 58 5.606 9.884 -2.796 1.00 1.00 H new ATOM 899 N PRO A 59 2.978 5.605 -0.091 1.00 1.00 N ATOM 900 CA PRO A 59 4.023 4.605 0.050 1.00 1.00 C ATOM 901 C PRO A 59 3.665 3.586 1.135 1.00 1.00 C ATOM 902 O PRO A 59 2.498 3.449 1.501 1.00 1.00 O ATOM 903 CB PRO A 59 5.283 5.393 0.368 1.00 1.00 C ATOM 904 CG PRO A 59 4.812 6.755 0.852 1.00 1.00 C ATOM 905 CD PRO A 59 3.341 6.894 0.492 1.00 1.00 C ATOM 0 HA PRO A 59 4.159 4.010 -0.853 1.00 1.00 H new ATOM 0 HB2 PRO A 59 5.875 4.890 1.132 1.00 1.00 H new ATOM 0 HB3 PRO A 59 5.916 5.489 -0.514 1.00 1.00 H new ATOM 0 HG2 PRO A 59 4.952 6.847 1.929 1.00 1.00 H new ATOM 0 HG3 PRO A 59 5.396 7.549 0.386 1.00 1.00 H new ATOM 0 HD2 PRO A 59 2.737 7.114 1.372 1.00 1.00 H new ATOM 0 HD3 PRO A 59 3.182 7.708 -0.216 1.00 1.00 H new ATOM 913 N LEU A 60 4.689 2.899 1.618 1.00 1.00 N ATOM 914 CA LEU A 60 4.651 2.345 2.961 1.00 1.00 C ATOM 915 C LEU A 60 4.826 3.473 3.979 1.00 1.00 C ATOM 916 O LEU A 60 5.406 4.512 3.666 1.00 1.00 O ATOM 917 CB LEU A 60 5.679 1.221 3.106 1.00 1.00 C ATOM 918 CG LEU A 60 5.430 -0.030 2.261 1.00 1.00 C ATOM 919 CD1 LEU A 60 3.933 -0.243 2.027 1.00 1.00 C ATOM 920 CD2 LEU A 60 6.213 0.030 0.948 1.00 1.00 C ATOM 0 H LEU A 60 5.550 2.713 1.104 1.00 1.00 H new ATOM 0 HA LEU A 60 3.682 1.887 3.156 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.661 1.619 2.850 1.00 1.00 H new ATOM 0 HB3 LEU A 60 5.719 0.925 4.154 1.00 1.00 H new ATOM 0 HG LEU A 60 5.796 -0.895 2.814 1.00 1.00 H new ATOM 0 HD11 LEU A 60 3.783 -1.138 1.424 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.428 -0.362 2.986 1.00 1.00 H new ATOM 0 HD13 LEU A 60 3.520 0.620 1.504 1.00 1.00 H new ATOM 0 HD21 LEU A 60 6.018 -0.871 0.367 1.00 1.00 H new ATOM 0 HD22 LEU A 60 5.900 0.905 0.378 1.00 1.00 H new ATOM 0 HD23 LEU A 60 7.279 0.099 1.163 1.00 1.00 H new ATOM 932 N PRO A 61 4.299 3.225 5.209 1.00 1.00 N ATOM 933 CA PRO A 61 4.518 4.141 6.315 1.00 1.00 C ATOM 934 C PRO A 61 5.942 4.011 6.860 1.00 1.00 C ATOM 935 O PRO A 61 6.657 5.004 6.983 1.00 1.00 O ATOM 936 CB PRO A 61 3.456 3.780 7.340 1.00 1.00 C ATOM 937 CG PRO A 61 2.981 2.383 6.975 1.00 1.00 C ATOM 938 CD PRO A 61 3.485 2.070 5.575 1.00 1.00 C ATOM 0 HA PRO A 61 4.429 5.186 6.020 1.00 1.00 H new ATOM 0 HB2 PRO A 61 3.865 3.802 8.350 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.631 4.492 7.315 1.00 1.00 H new ATOM 0 HG2 PRO A 61 3.360 1.652 7.689 1.00 1.00 H new ATOM 0 HG3 PRO A 61 1.893 2.328 7.010 1.00 1.00 H new ATOM 0 HD2 PRO A 61 4.072 1.151 5.561 1.00 1.00 H new ATOM 0 HD3 PRO A 61 2.658 1.931 4.878 1.00 1.00 H new ATOM 946 N ASN A 62 6.312 2.777 7.171 1.00 1.00 N ATOM 947 CA ASN A 62 7.411 2.534 8.091 1.00 1.00 C ATOM 948 C ASN A 62 8.625 2.030 7.307 1.00 1.00 C ATOM 949 O ASN A 62 9.630 1.638 7.897 1.00 1.00 O ATOM 950 CB ASN A 62 7.040 1.470 9.125 1.00 1.00 C ATOM 951 CG ASN A 62 6.675 0.149 8.445 1.00 1.00 C ATOM 952 OD1 ASN A 62 6.046 0.112 7.400 1.00 1.00 O ATOM 953 ND2 ASN A 62 7.102 -0.930 9.093 1.00 1.00 N ATOM 0 H ASN A 62 5.870 1.935 6.802 1.00 1.00 H new ATOM 0 HA ASN A 62 7.635 3.470 8.603 1.00 1.00 H new ATOM 0 HB2 ASN A 62 7.876 1.313 9.807 1.00 1.00 H new ATOM 0 HB3 ASN A 62 6.200 1.819 9.725 1.00 1.00 H new ATOM 0 HD21 ASN A 62 6.908 -1.859 8.720 1.00 1.00 H new ATOM 0 HD22 ASN A 62 7.624 -0.829 9.964 1.00 1.00 H new ATOM 960 N LYS A 63 8.491 2.057 5.989 1.00 1.00 N ATOM 961 CA LYS A 63 9.587 1.671 5.117 1.00 1.00 C ATOM 962 C LYS A 63 9.293 2.149 3.693 1.00 1.00 C ATOM 963 O LYS A 63 9.262 1.349 2.760 1.00 1.00 O ATOM 964 CB LYS A 63 9.849 0.168 5.219 1.00 1.00 C ATOM 965 CG LYS A 63 8.567 -0.631 4.977 1.00 1.00 C ATOM 966 CD LYS A 63 8.886 -2.052 4.511 1.00 1.00 C ATOM 967 CE LYS A 63 9.244 -2.073 3.024 1.00 1.00 C ATOM 968 NZ LYS A 63 9.453 -3.463 2.560 1.00 1.00 N ATOM 0 H LYS A 63 7.640 2.340 5.504 1.00 1.00 H new ATOM 0 HA LYS A 63 10.512 2.154 5.431 1.00 1.00 H new ATOM 0 HB2 LYS A 63 10.606 -0.123 4.490 1.00 1.00 H new ATOM 0 HB3 LYS A 63 10.248 -0.069 6.205 1.00 1.00 H new ATOM 0 HG2 LYS A 63 7.979 -0.669 5.894 1.00 1.00 H new ATOM 0 HG3 LYS A 63 7.956 -0.127 4.228 1.00 1.00 H new ATOM 0 HD2 LYS A 63 9.715 -2.452 5.094 1.00 1.00 H new ATOM 0 HD3 LYS A 63 8.028 -2.699 4.691 1.00 1.00 H new ATOM 0 HE2 LYS A 63 8.447 -1.606 2.445 1.00 1.00 H new ATOM 0 HE3 LYS A 63 10.147 -1.487 2.853 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 10.093 -3.463 1.740 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 9.874 -4.025 3.327 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 8.540 -3.879 2.287 1.00 1.00 H new ATOM 982 N ARG A 64 9.085 3.452 3.572 1.00 1.00 N ATOM 983 CA ARG A 64 9.003 4.078 2.263 1.00 1.00 C ATOM 984 C ARG A 64 10.348 3.975 1.541 1.00 1.00 C ATOM 985 O ARG A 64 11.368 3.674 2.159 1.00 1.00 O ATOM 986 CB ARG A 64 8.608 5.551 2.381 1.00 1.00 C ATOM 987 CG ARG A 64 9.711 6.363 3.064 1.00 1.00 C ATOM 988 CD ARG A 64 9.241 7.788 3.359 1.00 1.00 C ATOM 989 NE ARG A 64 9.677 8.195 4.714 1.00 1.00 N ATOM 990 CZ ARG A 64 9.145 7.721 5.848 1.00 1.00 C ATOM 991 NH1 ARG A 64 8.105 6.877 5.799 1.00 1.00 N ATOM 992 NH2 ARG A 64 9.654 8.090 7.032 1.00 1.00 N ATOM 0 H ARG A 64 8.971 4.091 4.359 1.00 1.00 H new ATOM 0 HA ARG A 64 8.238 3.553 1.691 1.00 1.00 H new ATOM 0 HB2 ARG A 64 8.412 5.959 1.389 1.00 1.00 H new ATOM 0 HB3 ARG A 64 7.682 5.638 2.950 1.00 1.00 H new ATOM 0 HG2 ARG A 64 10.005 5.874 3.993 1.00 1.00 H new ATOM 0 HG3 ARG A 64 10.594 6.392 2.426 1.00 1.00 H new ATOM 0 HD2 ARG A 64 9.647 8.475 2.616 1.00 1.00 H new ATOM 0 HD3 ARG A 64 8.155 7.844 3.285 1.00 1.00 H new ATOM 0 HE ARG A 64 10.430 8.879 4.789 1.00 1.00 H new ATOM 0 HH11 ARG A 64 7.719 6.596 4.898 1.00 1.00 H new ATOM 0 HH12 ARG A 64 7.700 6.516 6.663 1.00 1.00 H new ATOM 0 HH21 ARG A 64 10.446 8.732 7.069 1.00 1.00 H new ATOM 0 HH22 ARG A 64 9.249 7.729 7.896 1.00 1.00 H new ATOM 1006 N CYS A 65 10.307 4.230 0.242 1.00 1.00 N ATOM 1007 CA CYS A 65 11.484 4.057 -0.593 1.00 1.00 C ATOM 1008 C CYS A 65 12.525 5.098 -0.176 1.00 1.00 C ATOM 1009 O CYS A 65 12.192 6.261 0.048 1.00 1.00 O ATOM 1010 CB CYS A 65 11.142 4.157 -2.081 1.00 1.00 C ATOM 1011 SG CYS A 65 12.269 3.235 -3.190 1.00 1.00 S ATOM 0 H CYS A 65 9.477 4.555 -0.253 1.00 1.00 H new ATOM 0 HA CYS A 65 11.892 3.057 -0.448 1.00 1.00 H new ATOM 0 HB2 CYS A 65 10.126 3.791 -2.232 1.00 1.00 H new ATOM 0 HB3 CYS A 65 11.148 5.208 -2.371 1.00 1.00 H new ATOM 1016 N SER A 66 13.766 4.643 -0.084 1.00 1.00 N ATOM 1017 CA SER A 66 14.863 5.527 0.270 1.00 1.00 C ATOM 1018 C SER A 66 15.202 6.440 -0.910 1.00 1.00 C ATOM 1019 O SER A 66 15.119 7.662 -0.799 1.00 1.00 O ATOM 1020 CB SER A 66 16.098 4.730 0.697 1.00 1.00 C ATOM 1021 OG SER A 66 16.614 3.936 -0.367 1.00 1.00 O ATOM 0 H SER A 66 14.036 3.673 -0.249 1.00 1.00 H new ATOM 0 HA SER A 66 14.549 6.139 1.116 1.00 1.00 H new ATOM 0 HB2 SER A 66 16.870 5.416 1.045 1.00 1.00 H new ATOM 0 HB3 SER A 66 15.841 4.086 1.538 1.00 1.00 H new ATOM 0 HG SER A 66 16.499 4.412 -1.216 1.00 1.00 H new HETATM 1027 N NH2 A 67 15.579 5.810 -2.014 1.00 1.00 N TER 1030 NH2 A 67