USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 514 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot -130:sc= 0.023 USER MOD Set 1.2: A 67 MET CE :methyl -171:sc= -2.2! (180deg=-2.45!) USER MOD Set 2.1: A 42 ASN : amide:sc= -0.369 X(o=0.12,f=0.49) USER MOD Set 2.2: A 44 CYS SG : rot -1:sc= -0.068 USER MOD Set 2.3: A 54 CYS SG : rot -127:sc= 0.0868 USER MOD Set 2.4: A 57 CYS SG : rot -153:sc= 0.474 USER MOD Set 3.1: A 2 CYS SG : rot -155:sc= 1.1 USER MOD Set 3.2: A 5 CYS SG : rot -91:sc= 0.623 USER MOD Set 3.3: A 19 CYS SG : rot -118:sc= 0.171 USER MOD Set 3.4: A 22 CYS SG : rot 147:sc= 0.579 USER MOD Single : A 1 LEU N :NH3+ -120:sc= -1.89! (180deg=-2.55!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -2.9 K(o=-2.9,f=-1.2) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.11) USER MOD Single : A 34 HIS : no HE2:sc= -1.69 K(o=-1.7,f=-4.7!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.064) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0564) USER MOD Single : A 52 LYS NZ :NH3+ -136:sc= -0.128 (180deg=-1.56!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 59 TYR OH : rot 180:sc=-0.000136 USER MOD Single : A 61 LYS NZ :NH3+ 169:sc= 0.429 (180deg=0.366) USER MOD Single : A 62 CYS SG : rot 107:sc= 0.665 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0.0004) USER MOD Single : A 68 ASN : amide:sc= -0.0978 K(o=-0.098,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 10.031 6.897 4.598 1.00 0.00 N ATOM 2 CA LEU A 1 10.843 5.916 3.869 1.00 0.00 C ATOM 3 C LEU A 1 9.958 4.947 3.110 1.00 0.00 C ATOM 4 O LEU A 1 10.422 4.324 2.157 1.00 0.00 O ATOM 5 CB LEU A 1 11.866 5.221 4.810 1.00 0.00 C ATOM 6 CG LEU A 1 13.119 6.053 5.213 1.00 0.00 C ATOM 7 CD1 LEU A 1 12.810 7.482 5.701 1.00 0.00 C ATOM 8 CD2 LEU A 1 13.973 5.296 6.250 1.00 0.00 C ATOM 0 H1 LEU A 1 10.263 7.855 4.266 1.00 0.00 H new ATOM 0 H2 LEU A 1 9.023 6.707 4.430 1.00 0.00 H new ATOM 0 H3 LEU A 1 10.232 6.826 5.616 1.00 0.00 H new ATOM 0 HA LEU A 1 11.439 6.436 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.345 4.926 5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.206 4.305 4.327 1.00 0.00 H new ATOM 0 HG LEU A 1 13.688 6.177 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 1 13.740 7.987 5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.305 8.035 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 1 12.166 7.435 6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 1 14.842 5.898 6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.377 5.106 7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.304 4.348 5.826 1.00 0.00 H new ATOM 22 N CYS A 2 8.629 4.849 3.459 1.00 0.00 N ATOM 23 CA CYS A 2 7.575 4.066 2.839 1.00 0.00 C ATOM 24 C CYS A 2 7.348 4.804 1.554 1.00 0.00 C ATOM 25 O CYS A 2 7.345 6.032 1.558 1.00 0.00 O ATOM 26 CB CYS A 2 6.288 3.910 3.711 1.00 0.00 C ATOM 27 SG CYS A 2 4.953 2.967 2.907 1.00 0.00 S ATOM 0 H CYS A 2 8.270 5.375 4.256 1.00 0.00 H new ATOM 0 HA CYS A 2 7.854 3.022 2.696 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.554 3.417 4.646 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.914 4.901 3.968 1.00 0.00 H new ATOM 0 HG CYS A 2 3.809 3.309 3.422 1.00 0.00 H new ATOM 32 N LEU A 3 7.163 4.073 0.435 1.00 0.00 N ATOM 33 CA LEU A 3 7.031 4.685 -0.859 1.00 0.00 C ATOM 34 C LEU A 3 5.652 4.499 -1.409 1.00 0.00 C ATOM 35 O LEU A 3 5.403 4.623 -2.608 1.00 0.00 O ATOM 36 CB LEU A 3 8.023 4.047 -1.836 1.00 0.00 C ATOM 37 CG LEU A 3 9.493 4.376 -1.505 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.466 3.450 -2.254 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.834 5.859 -1.749 1.00 0.00 C ATOM 0 H LEU A 3 7.105 3.055 0.425 1.00 0.00 H new ATOM 0 HA LEU A 3 7.232 5.750 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.888 2.965 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.799 4.388 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 3 9.616 4.194 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.491 3.713 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.274 2.415 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.323 3.564 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.880 6.037 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.663 6.104 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.200 6.486 -1.122 1.00 0.00 H new ATOM 51 N VAL A 4 4.730 4.190 -0.493 1.00 0.00 N ATOM 52 CA VAL A 4 3.351 3.897 -0.766 1.00 0.00 C ATOM 53 C VAL A 4 2.492 4.892 -0.082 1.00 0.00 C ATOM 54 O VAL A 4 1.770 5.629 -0.745 1.00 0.00 O ATOM 55 CB VAL A 4 2.960 2.466 -0.318 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.513 2.090 -0.687 1.00 0.00 C ATOM 57 CG2 VAL A 4 4.014 1.452 -0.784 1.00 0.00 C ATOM 0 H VAL A 4 4.952 4.139 0.501 1.00 0.00 H new ATOM 0 HA VAL A 4 3.204 3.952 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 4 2.961 2.442 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.302 1.076 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.823 2.785 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.388 2.142 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.724 0.452 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.086 1.476 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.981 1.707 -0.351 1.00 0.00 H new ATOM 67 N CYS A 5 2.519 4.892 1.266 1.00 0.00 N ATOM 68 CA CYS A 5 1.683 5.759 2.060 1.00 0.00 C ATOM 69 C CYS A 5 2.565 6.813 2.659 1.00 0.00 C ATOM 70 O CYS A 5 2.154 7.521 3.571 1.00 0.00 O ATOM 71 CB CYS A 5 0.782 5.018 3.094 1.00 0.00 C ATOM 72 SG CYS A 5 1.607 4.109 4.461 1.00 0.00 S ATOM 0 H CYS A 5 3.127 4.285 1.816 1.00 0.00 H new ATOM 0 HA CYS A 5 0.941 6.229 1.415 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.111 5.752 3.539 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.161 4.308 2.548 1.00 0.00 H new ATOM 0 HG CYS A 5 1.823 2.880 4.096 1.00 0.00 H new ATOM 77 N SER A 6 3.804 6.938 2.105 1.00 0.00 N ATOM 78 CA SER A 6 4.784 7.993 2.331 1.00 0.00 C ATOM 79 C SER A 6 5.004 8.393 3.770 1.00 0.00 C ATOM 80 O SER A 6 4.935 9.562 4.143 1.00 0.00 O ATOM 81 CB SER A 6 4.527 9.197 1.402 1.00 0.00 C ATOM 82 OG SER A 6 3.983 8.801 0.149 1.00 0.00 O ATOM 0 H SER A 6 4.151 6.244 1.443 1.00 0.00 H new ATOM 0 HA SER A 6 5.742 7.548 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.843 9.891 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.462 9.733 1.237 1.00 0.00 H new ATOM 0 HG SER A 6 3.834 9.593 -0.408 1.00 0.00 H new ATOM 88 N ASP A 7 5.257 7.359 4.593 1.00 0.00 N ATOM 89 CA ASP A 7 5.358 7.433 6.034 1.00 0.00 C ATOM 90 C ASP A 7 6.708 6.859 6.358 1.00 0.00 C ATOM 91 O ASP A 7 7.290 6.194 5.515 1.00 0.00 O ATOM 92 CB ASP A 7 4.226 6.532 6.611 1.00 0.00 C ATOM 93 CG ASP A 7 4.077 6.560 8.141 1.00 0.00 C ATOM 94 OD1 ASP A 7 3.739 7.647 8.681 1.00 0.00 O ATOM 95 OD2 ASP A 7 4.308 5.499 8.779 1.00 0.00 O ATOM 0 H ASP A 7 5.401 6.413 4.240 1.00 0.00 H new ATOM 0 HA ASP A 7 5.257 8.439 6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.279 6.837 6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.409 5.504 6.299 1.00 0.00 H new ATOM 100 N GLU A 8 7.224 7.054 7.605 1.00 0.00 N ATOM 101 CA GLU A 8 8.500 6.528 8.076 1.00 0.00 C ATOM 102 C GLU A 8 8.468 5.011 8.089 1.00 0.00 C ATOM 103 O GLU A 8 7.784 4.407 8.915 1.00 0.00 O ATOM 104 CB GLU A 8 8.979 7.091 9.444 1.00 0.00 C ATOM 105 CG GLU A 8 8.265 8.385 9.903 1.00 0.00 C ATOM 106 CD GLU A 8 8.872 8.908 11.210 1.00 0.00 C ATOM 107 OE1 GLU A 8 10.063 9.319 11.192 1.00 0.00 O ATOM 108 OE2 GLU A 8 8.148 8.905 12.242 1.00 0.00 O ATOM 0 H GLU A 8 6.736 7.599 8.315 1.00 0.00 H new ATOM 0 HA GLU A 8 9.244 6.878 7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.836 6.325 10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.050 7.286 9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.349 9.146 9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.202 8.189 10.043 1.00 0.00 H new ATOM 115 N ALA A 9 9.205 4.376 7.139 1.00 0.00 N ATOM 116 CA ALA A 9 9.229 2.940 6.951 1.00 0.00 C ATOM 117 C ALA A 9 10.183 2.272 7.898 1.00 0.00 C ATOM 118 O ALA A 9 10.957 2.916 8.606 1.00 0.00 O ATOM 119 CB ALA A 9 9.604 2.518 5.514 1.00 0.00 C ATOM 0 H ALA A 9 9.803 4.877 6.481 1.00 0.00 H new ATOM 0 HA ALA A 9 8.208 2.616 7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.603 1.430 5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.877 2.928 4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.597 2.897 5.271 1.00 0.00 H new ATOM 125 N SER A 10 10.111 0.918 7.896 1.00 0.00 N ATOM 126 CA SER A 10 10.900 0.017 8.696 1.00 0.00 C ATOM 127 C SER A 10 11.818 -0.725 7.750 1.00 0.00 C ATOM 128 O SER A 10 12.143 -1.892 7.966 1.00 0.00 O ATOM 129 CB SER A 10 10.001 -0.987 9.449 1.00 0.00 C ATOM 130 OG SER A 10 9.092 -0.311 10.308 1.00 0.00 O ATOM 0 H SER A 10 9.455 0.421 7.293 1.00 0.00 H new ATOM 0 HA SER A 10 11.465 0.573 9.444 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.447 -1.594 8.732 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.620 -1.669 10.032 1.00 0.00 H new ATOM 0 HG SER A 10 8.532 -0.967 10.773 1.00 0.00 H new ATOM 136 N GLY A 11 12.256 -0.036 6.662 1.00 0.00 N ATOM 137 CA GLY A 11 13.136 -0.565 5.646 1.00 0.00 C ATOM 138 C GLY A 11 12.294 -0.888 4.454 1.00 0.00 C ATOM 139 O GLY A 11 11.572 -0.031 3.949 1.00 0.00 O ATOM 0 H GLY A 11 11.984 0.931 6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.906 0.162 5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.649 -1.456 6.008 1.00 0.00 H new ATOM 143 N CYS A 12 12.388 -2.156 3.988 1.00 0.00 N ATOM 144 CA CYS A 12 11.655 -2.714 2.869 1.00 0.00 C ATOM 145 C CYS A 12 10.917 -3.883 3.453 1.00 0.00 C ATOM 146 O CYS A 12 11.208 -4.284 4.581 1.00 0.00 O ATOM 147 CB CYS A 12 12.554 -3.153 1.676 1.00 0.00 C ATOM 148 SG CYS A 12 14.016 -4.160 2.140 1.00 0.00 S ATOM 0 H CYS A 12 13.014 -2.837 4.417 1.00 0.00 H new ATOM 0 HA CYS A 12 10.998 -1.963 2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.947 -3.723 0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.897 -2.261 1.151 1.00 0.00 H new ATOM 0 HG CYS A 12 14.687 -4.469 1.070 1.00 0.00 H new ATOM 154 N HIS A 13 9.946 -4.467 2.702 1.00 0.00 N ATOM 155 CA HIS A 13 9.185 -5.579 3.232 1.00 0.00 C ATOM 156 C HIS A 13 8.872 -6.604 2.185 1.00 0.00 C ATOM 157 O HIS A 13 8.487 -7.717 2.540 1.00 0.00 O ATOM 158 CB HIS A 13 7.912 -5.131 3.975 1.00 0.00 C ATOM 159 CG HIS A 13 8.191 -4.939 5.444 1.00 0.00 C ATOM 160 ND1 HIS A 13 8.444 -3.686 5.978 1.00 0.00 N ATOM 161 CD2 HIS A 13 8.319 -5.897 6.400 1.00 0.00 C ATOM 162 CE1 HIS A 13 8.704 -3.917 7.250 1.00 0.00 C ATOM 163 NE2 HIS A 13 8.641 -5.234 7.561 1.00 0.00 N ATOM 0 H HIS A 13 9.693 -4.181 1.756 1.00 0.00 H new ATOM 0 HA HIS A 13 9.831 -6.054 3.970 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.543 -4.200 3.545 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.127 -5.876 3.843 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.193 -6.962 6.273 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.941 -3.142 7.964 1.00 0.00 H new ATOM 0 HE2 HIS A 13 8.801 -5.652 8.477 1.00 0.00 H new ATOM 171 N TYR A 14 9.039 -6.278 0.882 1.00 0.00 N ATOM 172 CA TYR A 14 8.817 -7.210 -0.195 1.00 0.00 C ATOM 173 C TYR A 14 9.818 -6.777 -1.219 1.00 0.00 C ATOM 174 O TYR A 14 10.996 -7.106 -1.083 1.00 0.00 O ATOM 175 CB TYR A 14 7.334 -7.347 -0.669 1.00 0.00 C ATOM 176 CG TYR A 14 6.580 -8.346 0.217 1.00 0.00 C ATOM 177 CD1 TYR A 14 7.058 -9.659 0.410 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.447 -7.973 0.956 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.561 -10.488 1.419 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.942 -8.789 1.974 1.00 0.00 C ATOM 181 CZ TYR A 14 5.524 -10.033 2.236 1.00 0.00 C ATOM 182 OH TYR A 14 5.053 -10.833 3.301 1.00 0.00 O ATOM 0 H TYR A 14 9.333 -5.352 0.570 1.00 0.00 H new ATOM 0 HA TYR A 14 8.971 -8.248 0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.842 -6.375 -0.632 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.306 -7.679 -1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.832 -10.035 -0.242 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.955 -7.037 0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.976 -11.474 1.566 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.098 -8.456 2.560 1.00 0.00 H new ATOM 0 HH TYR A 14 4.330 -10.364 3.768 1.00 0.00 H new ATOM 192 N GLY A 15 9.397 -6.019 -2.250 1.00 0.00 N ATOM 193 CA GLY A 15 10.277 -5.572 -3.314 1.00 0.00 C ATOM 194 C GLY A 15 10.525 -4.093 -3.282 1.00 0.00 C ATOM 195 O GLY A 15 11.251 -3.586 -4.138 1.00 0.00 O ATOM 0 H GLY A 15 8.432 -5.706 -2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.229 -6.097 -3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.842 -5.842 -4.276 1.00 0.00 H new ATOM 199 N VAL A 16 9.954 -3.359 -2.290 1.00 0.00 N ATOM 200 CA VAL A 16 10.024 -1.906 -2.244 1.00 0.00 C ATOM 201 C VAL A 16 10.291 -1.540 -0.822 1.00 0.00 C ATOM 202 O VAL A 16 9.963 -2.289 0.095 1.00 0.00 O ATOM 203 CB VAL A 16 8.694 -1.230 -2.699 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.627 0.302 -2.746 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.237 -1.753 -4.062 1.00 0.00 C ATOM 0 H VAL A 16 9.439 -3.772 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 16 10.803 -1.561 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 16 8.033 -1.519 -1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.638 0.613 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.816 0.705 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.380 0.678 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.308 -1.260 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.003 -1.543 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.074 -2.829 -4.003 1.00 0.00 H new ATOM 215 N LEU A 17 10.791 -0.291 -0.650 1.00 0.00 N ATOM 216 CA LEU A 17 11.080 0.401 0.592 1.00 0.00 C ATOM 217 C LEU A 17 9.716 0.842 1.108 1.00 0.00 C ATOM 218 O LEU A 17 9.224 1.899 0.727 1.00 0.00 O ATOM 219 CB LEU A 17 12.071 1.579 0.383 1.00 0.00 C ATOM 220 CG LEU A 17 12.835 2.064 1.640 1.00 0.00 C ATOM 221 CD1 LEU A 17 13.920 1.067 2.087 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.460 3.457 1.428 1.00 0.00 C ATOM 0 H LEU A 17 11.015 0.291 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 17 11.588 -0.234 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.802 1.282 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.517 2.423 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 17 12.091 2.133 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.427 1.453 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.458 0.108 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.644 0.933 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.987 3.761 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.162 3.418 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.674 4.179 1.206 1.00 0.00 H new ATOM 234 N THR A 18 9.063 -0.006 1.938 1.00 0.00 N ATOM 235 CA THR A 18 7.703 0.160 2.425 1.00 0.00 C ATOM 236 C THR A 18 7.764 0.135 3.910 1.00 0.00 C ATOM 237 O THR A 18 8.754 -0.306 4.488 1.00 0.00 O ATOM 238 CB THR A 18 6.779 -1.056 2.052 1.00 0.00 C ATOM 239 OG1 THR A 18 7.537 -2.243 1.832 1.00 0.00 O ATOM 240 CG2 THR A 18 5.876 -0.813 0.850 1.00 0.00 C ATOM 0 H THR A 18 9.502 -0.856 2.292 1.00 0.00 H new ATOM 0 HA THR A 18 7.308 1.079 1.991 1.00 0.00 H new ATOM 0 HB THR A 18 6.132 -1.179 2.920 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.274 -2.646 0.978 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.273 -1.702 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.221 0.034 1.053 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.487 -0.597 -0.026 1.00 0.00 H new ATOM 248 N CYS A 19 6.636 0.553 4.561 1.00 0.00 N ATOM 249 CA CYS A 19 6.528 0.603 6.003 1.00 0.00 C ATOM 250 C CYS A 19 6.227 -0.795 6.512 1.00 0.00 C ATOM 251 O CYS A 19 6.167 -1.753 5.740 1.00 0.00 O ATOM 252 CB CYS A 19 5.563 1.667 6.614 1.00 0.00 C ATOM 253 SG CYS A 19 3.782 1.564 6.216 1.00 0.00 S ATOM 0 H CYS A 19 5.792 0.859 4.076 1.00 0.00 H new ATOM 0 HA CYS A 19 7.496 0.960 6.355 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.663 1.621 7.698 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.915 2.651 6.303 1.00 0.00 H new ATOM 0 HG CYS A 19 3.414 2.642 5.589 1.00 0.00 H new ATOM 258 N GLY A 20 5.998 -0.921 7.839 1.00 0.00 N ATOM 259 CA GLY A 20 5.700 -2.175 8.511 1.00 0.00 C ATOM 260 C GLY A 20 4.333 -2.693 8.149 1.00 0.00 C ATOM 261 O GLY A 20 4.166 -3.882 7.889 1.00 0.00 O ATOM 0 H GLY A 20 6.019 -0.124 8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.452 -2.918 8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.761 -2.032 9.590 1.00 0.00 H new ATOM 265 N SER A 21 3.340 -1.771 8.068 1.00 0.00 N ATOM 266 CA SER A 21 1.945 -2.045 7.767 1.00 0.00 C ATOM 267 C SER A 21 1.725 -2.406 6.312 1.00 0.00 C ATOM 268 O SER A 21 0.858 -3.226 6.031 1.00 0.00 O ATOM 269 CB SER A 21 1.039 -0.850 8.148 1.00 0.00 C ATOM 270 OG SER A 21 -0.347 -1.185 8.171 1.00 0.00 O ATOM 0 H SER A 21 3.516 -0.778 8.220 1.00 0.00 H new ATOM 0 HA SER A 21 1.671 -2.909 8.373 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.333 -0.477 9.129 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.199 -0.039 7.437 1.00 0.00 H new ATOM 0 HG SER A 21 -0.871 -0.394 8.419 1.00 0.00 H new ATOM 276 N CYS A 22 2.518 -1.814 5.363 1.00 0.00 N ATOM 277 CA CYS A 22 2.391 -1.981 3.916 1.00 0.00 C ATOM 278 C CYS A 22 2.744 -3.371 3.475 1.00 0.00 C ATOM 279 O CYS A 22 2.285 -3.822 2.429 1.00 0.00 O ATOM 280 CB CYS A 22 3.083 -0.909 3.049 1.00 0.00 C ATOM 281 SG CYS A 22 2.056 0.605 2.995 1.00 0.00 S ATOM 0 H CYS A 22 3.284 -1.190 5.616 1.00 0.00 H new ATOM 0 HA CYS A 22 1.329 -1.819 3.732 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.067 -0.677 3.458 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.239 -1.290 2.040 1.00 0.00 H new ATOM 0 HG CYS A 22 2.826 1.649 2.916 1.00 0.00 H new ATOM 286 N LYS A 23 3.504 -4.096 4.334 1.00 0.00 N ATOM 287 CA LYS A 23 3.869 -5.496 4.208 1.00 0.00 C ATOM 288 C LYS A 23 2.619 -6.345 4.241 1.00 0.00 C ATOM 289 O LYS A 23 2.280 -7.038 3.289 1.00 0.00 O ATOM 290 CB LYS A 23 4.796 -6.007 5.352 1.00 0.00 C ATOM 291 CG LYS A 23 5.253 -7.490 5.269 1.00 0.00 C ATOM 292 CD LYS A 23 5.571 -8.104 6.645 1.00 0.00 C ATOM 293 CE LYS A 23 6.047 -9.563 6.565 1.00 0.00 C ATOM 294 NZ LYS A 23 6.331 -10.091 7.898 1.00 0.00 N ATOM 0 H LYS A 23 3.893 -3.676 5.178 1.00 0.00 H new ATOM 0 HA LYS A 23 4.410 -5.579 3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.686 -5.378 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.278 -5.863 6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.472 -8.078 4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.138 -7.556 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.339 -7.505 7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.681 -8.054 7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.284 -10.173 6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.942 -9.625 5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.651 -11.077 7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.076 -9.520 8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.469 -10.052 8.478 1.00 0.00 H new ATOM 308 N VAL A 24 1.922 -6.248 5.393 1.00 0.00 N ATOM 309 CA VAL A 24 0.760 -6.992 5.830 1.00 0.00 C ATOM 310 C VAL A 24 -0.450 -6.707 4.998 1.00 0.00 C ATOM 311 O VAL A 24 -1.237 -7.598 4.685 1.00 0.00 O ATOM 312 CB VAL A 24 0.464 -6.681 7.330 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.681 -7.519 7.928 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.727 -6.778 8.214 1.00 0.00 C ATOM 0 H VAL A 24 2.203 -5.571 6.102 1.00 0.00 H new ATOM 0 HA VAL A 24 0.989 -8.051 5.709 1.00 0.00 H new ATOM 0 HB VAL A 24 0.125 -5.645 7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.825 -7.245 8.973 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.599 -7.329 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.430 -8.578 7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.466 -6.552 9.248 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.136 -7.787 8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.472 -6.063 7.864 1.00 0.00 H new ATOM 324 N PHE A 25 -0.575 -5.422 4.625 1.00 0.00 N ATOM 325 CA PHE A 25 -1.586 -4.795 3.820 1.00 0.00 C ATOM 326 C PHE A 25 -1.607 -5.433 2.462 1.00 0.00 C ATOM 327 O PHE A 25 -2.619 -5.971 2.032 1.00 0.00 O ATOM 328 CB PHE A 25 -1.222 -3.298 3.727 1.00 0.00 C ATOM 329 CG PHE A 25 -2.088 -2.504 2.797 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.466 -2.303 2.990 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.489 -2.091 1.602 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.236 -1.726 1.970 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.258 -1.550 0.583 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.634 -1.363 0.757 1.00 0.00 C ATOM 0 H PHE A 25 0.119 -4.738 4.925 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.579 -4.911 4.254 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.283 -2.860 4.723 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.185 -3.209 3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.930 -2.592 3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.422 -2.194 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.293 -1.561 2.119 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.792 -1.271 -0.351 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.229 -0.941 -0.039 1.00 0.00 H new ATOM 344 N PHE A 26 -0.417 -5.389 1.823 1.00 0.00 N ATOM 345 CA PHE A 26 -0.082 -5.895 0.513 1.00 0.00 C ATOM 346 C PHE A 26 -0.221 -7.385 0.427 1.00 0.00 C ATOM 347 O PHE A 26 -0.818 -7.901 -0.505 1.00 0.00 O ATOM 348 CB PHE A 26 1.346 -5.467 0.091 1.00 0.00 C ATOM 349 CG PHE A 26 1.798 -6.001 -1.256 1.00 0.00 C ATOM 350 CD1 PHE A 26 1.223 -5.594 -2.471 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.784 -6.998 -1.284 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.694 -6.104 -3.689 1.00 0.00 C ATOM 353 CE2 PHE A 26 3.251 -7.512 -2.492 1.00 0.00 C ATOM 354 CZ PHE A 26 2.720 -7.060 -3.701 1.00 0.00 C ATOM 0 H PHE A 26 0.392 -4.956 2.268 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.798 -5.454 -0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.392 -4.378 0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.050 -5.800 0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.411 -4.882 -2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.187 -7.373 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.266 -5.760 -4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.027 -8.263 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.096 -7.443 -4.638 1.00 0.00 H new ATOM 364 N LYS A 27 0.332 -8.104 1.422 1.00 0.00 N ATOM 365 CA LYS A 27 0.400 -9.554 1.478 1.00 0.00 C ATOM 366 C LYS A 27 -0.972 -10.178 1.625 1.00 0.00 C ATOM 367 O LYS A 27 -1.198 -11.298 1.166 1.00 0.00 O ATOM 368 CB LYS A 27 1.529 -10.072 2.408 1.00 0.00 C ATOM 369 CG LYS A 27 1.645 -11.597 2.633 1.00 0.00 C ATOM 370 CD LYS A 27 0.750 -12.186 3.748 1.00 0.00 C ATOM 371 CE LYS A 27 0.888 -11.535 5.140 1.00 0.00 C ATOM 372 NZ LYS A 27 2.245 -11.651 5.675 1.00 0.00 N ATOM 0 H LYS A 27 0.757 -7.661 2.236 1.00 0.00 H new ATOM 0 HA LYS A 27 0.732 -9.926 0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.479 -9.721 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.401 -9.600 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.406 -12.102 1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.684 -11.832 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.290 -12.105 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.973 -13.249 3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.614 -10.482 5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.187 -12.005 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.289 -11.200 6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.499 -12.656 5.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.913 -11.180 5.032 1.00 0.00 H new ATOM 386 N ARG A 28 -1.935 -9.417 2.212 1.00 0.00 N ATOM 387 CA ARG A 28 -3.322 -9.813 2.333 1.00 0.00 C ATOM 388 C ARG A 28 -4.067 -9.390 1.100 1.00 0.00 C ATOM 389 O ARG A 28 -4.938 -10.101 0.621 1.00 0.00 O ATOM 390 CB ARG A 28 -4.034 -9.189 3.556 1.00 0.00 C ATOM 391 CG ARG A 28 -5.137 -10.081 4.158 1.00 0.00 C ATOM 392 CD ARG A 28 -4.552 -11.266 4.949 1.00 0.00 C ATOM 393 NE ARG A 28 -5.664 -12.002 5.651 1.00 0.00 N ATOM 394 CZ ARG A 28 -5.445 -13.189 6.305 1.00 0.00 C ATOM 395 NH1 ARG A 28 -4.387 -13.997 6.007 1.00 0.00 N ATOM 396 NH2 ARG A 28 -6.313 -13.566 7.292 1.00 0.00 N ATOM 0 H ARG A 28 -1.742 -8.500 2.614 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.324 -10.895 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.293 -8.975 4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.472 -8.235 3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.769 -9.483 4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.775 -10.458 3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.024 -11.941 4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.824 -10.907 5.676 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.605 -11.608 5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.728 -13.726 5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.255 -14.872 6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.105 -12.969 7.530 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.168 -14.444 7.790 1.00 0.00 H new ATOM 410 N ALA A 29 -3.699 -8.217 0.546 1.00 0.00 N ATOM 411 CA ALA A 29 -4.307 -7.559 -0.597 1.00 0.00 C ATOM 412 C ALA A 29 -4.093 -8.299 -1.898 1.00 0.00 C ATOM 413 O ALA A 29 -4.839 -8.130 -2.859 1.00 0.00 O ATOM 414 CB ALA A 29 -3.798 -6.120 -0.761 1.00 0.00 C ATOM 0 H ALA A 29 -2.916 -7.680 0.920 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.375 -7.553 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.276 -5.661 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.038 -5.545 0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.718 -6.130 -0.906 1.00 0.00 H new ATOM 420 N VAL A 30 -3.049 -9.154 -1.940 1.00 0.00 N ATOM 421 CA VAL A 30 -2.658 -9.928 -3.090 1.00 0.00 C ATOM 422 C VAL A 30 -3.478 -11.193 -3.123 1.00 0.00 C ATOM 423 O VAL A 30 -4.271 -11.408 -4.039 1.00 0.00 O ATOM 424 CB VAL A 30 -1.125 -10.204 -3.099 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.702 -11.229 -4.166 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.291 -8.920 -3.282 1.00 0.00 C ATOM 0 H VAL A 30 -2.446 -9.315 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.857 -9.363 -4.000 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.919 -10.624 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.377 -11.377 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.207 -12.177 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.976 -10.860 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.770 -9.172 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.551 -8.449 -4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.501 -8.230 -2.465 1.00 0.00 H new ATOM 436 N GLU A 31 -3.267 -12.051 -2.106 1.00 0.00 N ATOM 437 CA GLU A 31 -3.890 -13.351 -1.973 1.00 0.00 C ATOM 438 C GLU A 31 -4.917 -13.284 -0.876 1.00 0.00 C ATOM 439 O GLU A 31 -4.851 -13.996 0.125 1.00 0.00 O ATOM 440 CB GLU A 31 -2.879 -14.506 -1.790 1.00 0.00 C ATOM 441 CG GLU A 31 -1.788 -14.239 -0.734 1.00 0.00 C ATOM 442 CD GLU A 31 -0.845 -15.439 -0.618 1.00 0.00 C ATOM 443 OE1 GLU A 31 -1.303 -16.510 -0.136 1.00 0.00 O ATOM 444 OE2 GLU A 31 0.344 -15.302 -1.013 1.00 0.00 O ATOM 0 H GLU A 31 -2.634 -11.836 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.389 -13.594 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.424 -15.408 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.399 -14.707 -2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.221 -13.349 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.251 -14.039 0.232 1.00 0.00 H new ATOM 451 N GLY A 32 -5.926 -12.414 -1.104 1.00 0.00 N ATOM 452 CA GLY A 32 -7.023 -12.208 -0.173 1.00 0.00 C ATOM 453 C GLY A 32 -8.323 -11.973 -0.853 1.00 0.00 C ATOM 454 O GLY A 32 -8.478 -12.168 -2.059 1.00 0.00 O ATOM 0 H GLY A 32 -5.989 -11.841 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.111 -13.079 0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.794 -11.356 0.467 1.00 0.00 H new ATOM 458 N GLN A 33 -9.295 -11.515 -0.022 1.00 0.00 N ATOM 459 CA GLN A 33 -10.635 -11.131 -0.390 1.00 0.00 C ATOM 460 C GLN A 33 -10.575 -9.634 -0.345 1.00 0.00 C ATOM 461 O GLN A 33 -10.389 -9.031 0.712 1.00 0.00 O ATOM 462 CB GLN A 33 -11.721 -11.642 0.588 1.00 0.00 C ATOM 463 CG GLN A 33 -11.975 -13.171 0.549 1.00 0.00 C ATOM 464 CD GLN A 33 -12.505 -13.681 -0.807 1.00 0.00 C ATOM 465 OE1 GLN A 33 -11.959 -14.642 -1.361 1.00 0.00 O ATOM 466 NE2 GLN A 33 -13.586 -13.026 -1.334 1.00 0.00 N ATOM 0 H GLN A 33 -9.129 -11.407 0.978 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.917 -11.554 -1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.435 -11.363 1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.657 -11.128 0.368 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.046 -13.690 0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.691 -13.431 1.329 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -13.998 -12.238 -0.834 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.979 -13.326 -2.226 1.00 0.00 H new ATOM 475 N HIS A 34 -10.715 -9.018 -1.539 1.00 0.00 N ATOM 476 CA HIS A 34 -10.566 -7.605 -1.765 1.00 0.00 C ATOM 477 C HIS A 34 -11.896 -6.918 -1.719 1.00 0.00 C ATOM 478 O HIS A 34 -12.882 -7.416 -2.261 1.00 0.00 O ATOM 479 CB HIS A 34 -9.877 -7.374 -3.122 1.00 0.00 C ATOM 480 CG HIS A 34 -8.574 -6.663 -2.939 1.00 0.00 C ATOM 481 ND1 HIS A 34 -8.314 -5.515 -3.667 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.560 -6.926 -2.065 1.00 0.00 C ATOM 483 CE1 HIS A 34 -7.152 -5.096 -3.218 1.00 0.00 C ATOM 484 NE2 HIS A 34 -6.656 -5.905 -2.251 1.00 0.00 N ATOM 0 H HIS A 34 -10.944 -9.531 -2.390 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.947 -7.180 -0.975 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -9.709 -8.330 -3.617 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -10.528 -6.789 -3.771 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.894 -5.089 -4.390 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.483 -7.755 -1.377 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.651 -4.210 -3.578 1.00 0.00 H new ATOM 492 N ASN A 35 -11.930 -5.739 -1.048 1.00 0.00 N ATOM 493 CA ASN A 35 -13.134 -4.958 -0.876 1.00 0.00 C ATOM 494 C ASN A 35 -12.754 -3.553 -0.465 1.00 0.00 C ATOM 495 O ASN A 35 -13.355 -2.973 0.440 1.00 0.00 O ATOM 496 CB ASN A 35 -14.201 -5.605 0.072 1.00 0.00 C ATOM 497 CG ASN A 35 -13.605 -6.198 1.371 1.00 0.00 C ATOM 498 OD1 ASN A 35 -13.164 -5.460 2.259 1.00 0.00 O ATOM 499 ND2 ASN A 35 -13.593 -7.564 1.458 1.00 0.00 N ATOM 0 H ASN A 35 -11.106 -5.320 -0.617 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.646 -4.927 -1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.944 -4.852 0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.724 -6.393 -0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.207 -8.019 2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.970 -8.127 0.696 1.00 0.00 H new ATOM 506 N TYR A 36 -11.753 -2.951 -1.164 1.00 0.00 N ATOM 507 CA TYR A 36 -11.331 -1.578 -0.986 1.00 0.00 C ATOM 508 C TYR A 36 -12.035 -0.726 -2.013 1.00 0.00 C ATOM 509 O TYR A 36 -13.202 -0.392 -1.812 1.00 0.00 O ATOM 510 CB TYR A 36 -9.802 -1.346 -0.898 1.00 0.00 C ATOM 511 CG TYR A 36 -9.119 -2.317 0.040 1.00 0.00 C ATOM 512 CD1 TYR A 36 -8.589 -3.553 -0.374 1.00 0.00 C ATOM 513 CD2 TYR A 36 -8.942 -1.926 1.379 1.00 0.00 C ATOM 514 CE1 TYR A 36 -7.878 -4.359 0.526 1.00 0.00 C ATOM 515 CE2 TYR A 36 -8.200 -2.709 2.269 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.660 -3.929 1.842 1.00 0.00 C ATOM 517 OH TYR A 36 -6.882 -4.707 2.731 1.00 0.00 O ATOM 0 H TYR A 36 -11.218 -3.441 -1.881 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.637 -1.265 0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.366 -1.440 -1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.612 -0.327 -0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.731 -3.883 -1.392 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.387 -1.005 1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.496 -5.316 0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.044 -2.374 3.284 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.833 -4.259 3.601 1.00 0.00 H new ATOM 597 N ASN A 42 -10.382 6.131 -9.026 1.00 0.00 N ATOM 598 CA ASN A 42 -8.988 6.401 -8.761 1.00 0.00 C ATOM 599 C ASN A 42 -8.963 7.909 -8.826 1.00 0.00 C ATOM 600 O ASN A 42 -8.647 8.491 -9.863 1.00 0.00 O ATOM 601 CB ASN A 42 -7.907 5.730 -9.685 1.00 0.00 C ATOM 602 CG ASN A 42 -6.414 6.006 -9.376 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.569 5.855 -10.267 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.103 6.398 -8.109 1.00 0.00 N ATOM 0 HA ASN A 42 -8.685 5.953 -7.815 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.061 4.652 -9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.100 6.047 -10.710 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.132 6.583 -7.856 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.841 6.507 -7.413 1.00 0.00 H new ATOM 611 N ASP A 43 -9.320 8.561 -7.692 1.00 0.00 N ATOM 612 CA ASP A 43 -9.304 10.000 -7.539 1.00 0.00 C ATOM 613 C ASP A 43 -8.217 10.417 -6.599 1.00 0.00 C ATOM 614 O ASP A 43 -7.309 11.140 -7.011 1.00 0.00 O ATOM 615 CB ASP A 43 -10.620 10.654 -7.014 1.00 0.00 C ATOM 616 CG ASP A 43 -11.486 9.794 -6.074 1.00 0.00 C ATOM 617 OD1 ASP A 43 -12.174 8.866 -6.577 1.00 0.00 O ATOM 618 OD2 ASP A 43 -11.474 10.069 -4.844 1.00 0.00 O ATOM 0 H ASP A 43 -9.630 8.072 -6.852 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.152 10.352 -8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.359 11.574 -6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.227 10.937 -7.874 1.00 0.00 H new ATOM 623 N CYS A 44 -8.297 9.990 -5.308 1.00 0.00 N ATOM 624 CA CYS A 44 -7.435 10.489 -4.259 1.00 0.00 C ATOM 625 C CYS A 44 -5.970 10.093 -4.413 1.00 0.00 C ATOM 626 O CYS A 44 -5.622 9.202 -5.187 1.00 0.00 O ATOM 627 CB CYS A 44 -7.941 10.214 -2.798 1.00 0.00 C ATOM 628 SG CYS A 44 -7.788 8.525 -2.121 1.00 0.00 S ATOM 0 H CYS A 44 -8.968 9.291 -4.991 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.494 11.568 -4.403 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.404 10.888 -2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.994 10.494 -2.755 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.276 7.741 -3.023 1.00 0.00 H new ATOM 633 N ILE A 45 -5.102 10.760 -3.617 1.00 0.00 N ATOM 634 CA ILE A 45 -3.685 10.481 -3.486 1.00 0.00 C ATOM 635 C ILE A 45 -3.623 9.744 -2.174 1.00 0.00 C ATOM 636 O ILE A 45 -4.509 9.910 -1.342 1.00 0.00 O ATOM 637 CB ILE A 45 -2.813 11.779 -3.460 1.00 0.00 C ATOM 638 CG1 ILE A 45 -2.923 12.565 -4.792 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.332 11.577 -3.040 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.377 11.828 -6.024 1.00 0.00 C ATOM 0 H ILE A 45 -5.401 11.539 -3.030 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.285 9.918 -4.329 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.244 12.379 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.971 12.809 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.389 13.509 -4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.816 12.537 -3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.293 11.159 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.846 10.893 -3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.497 12.456 -6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.320 11.607 -5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.926 10.897 -6.164 1.00 0.00 H new ATOM 652 N ILE A 46 -2.579 8.905 -1.971 1.00 0.00 N ATOM 653 CA ILE A 46 -2.383 8.163 -0.748 1.00 0.00 C ATOM 654 C ILE A 46 -1.040 8.583 -0.251 1.00 0.00 C ATOM 655 O ILE A 46 -0.021 8.436 -0.922 1.00 0.00 O ATOM 656 CB ILE A 46 -2.554 6.616 -0.925 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.844 6.085 -0.268 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.389 5.688 -0.523 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.109 6.848 -0.636 1.00 0.00 C ATOM 0 H ILE A 46 -1.855 8.738 -2.670 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.153 8.389 -0.011 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.592 6.559 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.973 5.039 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.722 6.113 0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.669 4.651 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.506 5.936 -1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.167 5.820 0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.964 6.403 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.007 7.890 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.263 6.799 -1.714 1.00 0.00 H new ATOM 671 N ASP A 47 -1.051 9.116 0.982 1.00 0.00 N ATOM 672 CA ASP A 47 0.122 9.496 1.707 1.00 0.00 C ATOM 673 C ASP A 47 -0.324 9.380 3.141 1.00 0.00 C ATOM 674 O ASP A 47 -1.427 8.909 3.400 1.00 0.00 O ATOM 675 CB ASP A 47 0.812 10.819 1.271 1.00 0.00 C ATOM 676 CG ASP A 47 -0.041 12.092 1.369 1.00 0.00 C ATOM 677 OD1 ASP A 47 -0.427 12.479 2.504 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.299 12.702 0.297 1.00 0.00 O ATOM 0 H ASP A 47 -1.914 9.290 1.497 1.00 0.00 H new ATOM 0 HA ASP A 47 0.975 8.851 1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.705 10.957 1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.145 10.708 0.239 1.00 0.00 H new ATOM 683 N LYS A 48 0.512 9.829 4.108 1.00 0.00 N ATOM 684 CA LYS A 48 0.324 9.688 5.544 1.00 0.00 C ATOM 685 C LYS A 48 -0.764 10.531 6.198 1.00 0.00 C ATOM 686 O LYS A 48 -0.804 10.676 7.419 1.00 0.00 O ATOM 687 CB LYS A 48 1.664 9.809 6.298 1.00 0.00 C ATOM 688 CG LYS A 48 2.602 10.966 5.892 1.00 0.00 C ATOM 689 CD LYS A 48 2.055 12.379 6.163 1.00 0.00 C ATOM 690 CE LYS A 48 3.065 13.513 5.906 1.00 0.00 C ATOM 691 NZ LYS A 48 4.185 13.478 6.848 1.00 0.00 N ATOM 0 H LYS A 48 1.375 10.322 3.880 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.070 8.676 5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.445 9.909 7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.208 8.873 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.546 10.851 6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.823 10.877 4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.178 12.542 5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.722 12.434 7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.446 13.434 4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.557 14.474 5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.776 14.324 6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.819 13.459 7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.756 12.626 6.676 1.00 0.00 H new ATOM 705 N ILE A 49 -1.679 11.082 5.379 1.00 0.00 N ATOM 706 CA ILE A 49 -2.815 11.890 5.771 1.00 0.00 C ATOM 707 C ILE A 49 -4.024 11.265 5.135 1.00 0.00 C ATOM 708 O ILE A 49 -5.010 10.946 5.801 1.00 0.00 O ATOM 709 CB ILE A 49 -2.674 13.387 5.340 1.00 0.00 C ATOM 710 CG1 ILE A 49 -1.507 14.106 6.059 1.00 0.00 C ATOM 711 CG2 ILE A 49 -3.979 14.210 5.439 1.00 0.00 C ATOM 712 CD1 ILE A 49 -1.609 14.165 7.592 1.00 0.00 C ATOM 0 H ILE A 49 -1.629 10.959 4.368 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.893 11.909 6.858 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.436 13.334 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.576 13.605 5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.441 15.125 5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.788 15.235 5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.739 13.766 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.332 14.210 6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.742 14.689 7.994 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.518 14.696 7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.640 13.152 7.994 1.00 0.00 H new ATOM 724 N ARG A 50 -3.941 11.099 3.798 1.00 0.00 N ATOM 725 CA ARG A 50 -4.976 10.606 2.907 1.00 0.00 C ATOM 726 C ARG A 50 -5.124 9.103 2.951 1.00 0.00 C ATOM 727 O ARG A 50 -5.981 8.527 2.285 1.00 0.00 O ATOM 728 CB ARG A 50 -4.685 11.030 1.459 1.00 0.00 C ATOM 729 CG ARG A 50 -4.769 12.550 1.210 1.00 0.00 C ATOM 730 CD ARG A 50 -3.726 13.025 0.183 1.00 0.00 C ATOM 731 NE ARG A 50 -4.004 14.433 -0.282 1.00 0.00 N ATOM 732 CZ ARG A 50 -5.014 14.744 -1.157 1.00 0.00 C ATOM 733 NH1 ARG A 50 -5.544 13.817 -2.008 1.00 0.00 N ATOM 734 NH2 ARG A 50 -5.484 16.027 -1.192 1.00 0.00 N ATOM 0 H ARG A 50 -3.085 11.326 3.292 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.910 11.047 3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.688 10.684 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.390 10.526 0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.768 12.805 0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.619 13.080 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.731 12.977 0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.726 12.352 -0.674 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.415 15.188 0.070 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.189 12.861 -2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.295 14.081 -2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.084 16.734 -0.574 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.234 16.278 -1.836 1.00 0.00 H new ATOM 748 N ARG A 51 -4.317 8.455 3.820 1.00 0.00 N ATOM 749 CA ARG A 51 -4.251 7.035 4.109 1.00 0.00 C ATOM 750 C ARG A 51 -5.506 6.601 4.848 1.00 0.00 C ATOM 751 O ARG A 51 -5.912 5.442 4.776 1.00 0.00 O ATOM 752 CB ARG A 51 -2.929 6.706 4.858 1.00 0.00 C ATOM 753 CG ARG A 51 -2.825 5.404 5.678 1.00 0.00 C ATOM 754 CD ARG A 51 -3.166 5.608 7.164 1.00 0.00 C ATOM 755 NE ARG A 51 -3.124 4.276 7.864 1.00 0.00 N ATOM 756 CZ ARG A 51 -3.555 4.119 9.157 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.368 5.032 9.766 1.00 0.00 N ATOM 758 NH2 ARG A 51 -3.159 3.010 9.851 1.00 0.00 N ATOM 0 H ARG A 51 -3.640 8.974 4.379 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.226 6.456 3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.129 6.691 4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.721 7.535 5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.498 4.658 5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.814 5.006 5.593 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.456 6.297 7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.155 6.056 7.265 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.764 3.465 7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.673 5.862 9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.670 4.884 10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.555 2.319 9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.468 2.873 10.814 1.00 0.00 H new ATOM 772 N LYS A 52 -6.146 7.565 5.561 1.00 0.00 N ATOM 773 CA LYS A 52 -7.340 7.404 6.351 1.00 0.00 C ATOM 774 C LYS A 52 -8.580 7.735 5.545 1.00 0.00 C ATOM 775 O LYS A 52 -9.691 7.698 6.074 1.00 0.00 O ATOM 776 CB LYS A 52 -7.321 8.319 7.598 1.00 0.00 C ATOM 777 CG LYS A 52 -6.128 8.082 8.549 1.00 0.00 C ATOM 778 CD LYS A 52 -6.038 9.079 9.727 1.00 0.00 C ATOM 779 CE LYS A 52 -7.223 9.056 10.714 1.00 0.00 C ATOM 780 NZ LYS A 52 -8.385 9.795 10.213 1.00 0.00 N ATOM 0 H LYS A 52 -5.800 8.524 5.584 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.366 6.359 6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.307 9.358 7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.247 8.173 8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.195 7.071 8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.204 8.136 7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.122 8.875 10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.947 10.086 9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.510 8.023 10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.907 9.483 11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.781 10.379 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.093 10.407 9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.107 9.124 9.881 1.00 0.00 H new ATOM 794 N ASN A 53 -8.417 8.065 4.236 1.00 0.00 N ATOM 795 CA ASN A 53 -9.480 8.423 3.321 1.00 0.00 C ATOM 796 C ASN A 53 -9.842 7.202 2.532 1.00 0.00 C ATOM 797 O ASN A 53 -11.005 7.009 2.182 1.00 0.00 O ATOM 798 CB ASN A 53 -9.121 9.533 2.280 1.00 0.00 C ATOM 799 CG ASN A 53 -8.813 10.881 2.959 1.00 0.00 C ATOM 800 OD1 ASN A 53 -8.985 11.062 4.167 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.345 11.855 2.119 1.00 0.00 N ATOM 0 H ASN A 53 -7.498 8.083 3.794 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.284 8.815 3.944 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.258 9.216 1.695 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.950 9.659 1.583 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.121 12.780 2.485 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.220 11.656 1.127 1.00 0.00 H new ATOM 808 N CYS A 54 -8.827 6.356 2.224 1.00 0.00 N ATOM 809 CA CYS A 54 -8.988 5.230 1.338 1.00 0.00 C ATOM 810 C CYS A 54 -7.721 4.407 1.508 1.00 0.00 C ATOM 811 O CYS A 54 -6.637 4.982 1.466 1.00 0.00 O ATOM 812 CB CYS A 54 -9.138 5.811 -0.104 1.00 0.00 C ATOM 813 SG CYS A 54 -8.694 4.894 -1.611 1.00 0.00 S ATOM 0 H CYS A 54 -7.882 6.456 2.596 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.857 4.604 1.540 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.186 6.091 -0.214 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.557 6.733 -0.124 1.00 0.00 H new ATOM 0 HG CYS A 54 -7.879 5.608 -2.329 1.00 0.00 H new ATOM 818 N PRO A 55 -7.820 3.064 1.633 1.00 0.00 N ATOM 819 CA PRO A 55 -6.670 2.179 1.516 1.00 0.00 C ATOM 820 C PRO A 55 -6.877 1.255 0.312 1.00 0.00 C ATOM 821 O PRO A 55 -6.724 0.043 0.433 1.00 0.00 O ATOM 822 CB PRO A 55 -6.702 1.458 2.859 1.00 0.00 C ATOM 823 CG PRO A 55 -8.191 1.407 3.268 1.00 0.00 C ATOM 824 CD PRO A 55 -8.913 2.393 2.332 1.00 0.00 C ATOM 0 HA PRO A 55 -5.706 2.656 1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.284 0.455 2.775 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.109 1.989 3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.592 0.399 3.160 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.320 1.692 4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.575 1.875 1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.526 3.100 2.890 1.00 0.00 H new ATOM 832 N ALA A 56 -7.213 1.811 -0.888 1.00 0.00 N ATOM 833 CA ALA A 56 -7.428 1.113 -2.140 1.00 0.00 C ATOM 834 C ALA A 56 -6.309 1.529 -3.041 1.00 0.00 C ATOM 835 O ALA A 56 -5.621 0.688 -3.613 1.00 0.00 O ATOM 836 CB ALA A 56 -8.750 1.441 -2.833 1.00 0.00 C ATOM 0 H ALA A 56 -7.343 2.818 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.462 0.044 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.825 0.874 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.580 1.176 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.789 2.507 -3.056 1.00 0.00 H new ATOM 842 N CYS A 57 -6.075 2.870 -3.128 1.00 0.00 N ATOM 843 CA CYS A 57 -4.970 3.528 -3.796 1.00 0.00 C ATOM 844 C CYS A 57 -3.615 3.073 -3.328 1.00 0.00 C ATOM 845 O CYS A 57 -2.672 3.004 -4.107 1.00 0.00 O ATOM 846 CB CYS A 57 -5.010 5.044 -3.580 1.00 0.00 C ATOM 847 SG CYS A 57 -6.370 5.856 -4.461 1.00 0.00 S ATOM 0 H CYS A 57 -6.709 3.543 -2.697 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.099 3.260 -4.845 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.102 5.250 -2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.064 5.476 -3.907 1.00 0.00 H new ATOM 0 HG CYS A 57 -6.042 7.086 -4.726 1.00 0.00 H new ATOM 852 N ARG A 58 -3.540 2.701 -2.034 1.00 0.00 N ATOM 853 CA ARG A 58 -2.398 2.143 -1.345 1.00 0.00 C ATOM 854 C ARG A 58 -1.929 0.855 -1.980 1.00 0.00 C ATOM 855 O ARG A 58 -0.735 0.571 -1.985 1.00 0.00 O ATOM 856 CB ARG A 58 -2.671 1.800 0.140 1.00 0.00 C ATOM 857 CG ARG A 58 -2.598 2.998 1.098 1.00 0.00 C ATOM 858 CD ARG A 58 -2.871 2.657 2.578 1.00 0.00 C ATOM 859 NE ARG A 58 -1.820 1.701 3.096 1.00 0.00 N ATOM 860 CZ ARG A 58 -1.732 1.355 4.420 1.00 0.00 C ATOM 861 NH1 ARG A 58 -2.245 2.137 5.415 1.00 0.00 N ATOM 862 NH2 ARG A 58 -1.109 0.187 4.760 1.00 0.00 N ATOM 0 H ARG A 58 -4.344 2.797 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.648 2.930 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.660 1.349 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.951 1.049 0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.609 3.449 1.020 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.318 3.750 0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.870 3.569 3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.860 2.211 2.680 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.153 1.299 2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.714 3.013 5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.159 1.845 6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.718 -0.413 4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.035 -0.085 5.740 1.00 0.00 H new ATOM 876 N TYR A 59 -2.876 0.042 -2.528 1.00 0.00 N ATOM 877 CA TYR A 59 -2.599 -1.244 -3.138 1.00 0.00 C ATOM 878 C TYR A 59 -1.987 -1.015 -4.495 1.00 0.00 C ATOM 879 O TYR A 59 -0.988 -1.646 -4.832 1.00 0.00 O ATOM 880 CB TYR A 59 -3.876 -2.117 -3.246 1.00 0.00 C ATOM 881 CG TYR A 59 -3.662 -3.509 -3.835 1.00 0.00 C ATOM 882 CD1 TYR A 59 -2.606 -4.355 -3.427 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.538 -3.973 -4.834 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.442 -5.626 -3.998 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.383 -5.244 -5.397 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.336 -6.071 -4.979 1.00 0.00 C ATOM 887 OH TYR A 59 -3.184 -7.350 -5.558 1.00 0.00 O ATOM 0 H TYR A 59 -3.866 0.288 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.900 -1.791 -2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.310 -2.223 -2.252 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.607 -1.589 -3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.917 -4.019 -2.666 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.343 -3.337 -5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.627 -6.260 -3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.072 -5.587 -6.155 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.892 -7.496 -6.220 1.00 0.00 H new ATOM 897 N ARG A 60 -2.541 -0.050 -5.279 1.00 0.00 N ATOM 898 CA ARG A 60 -2.043 0.264 -6.605 1.00 0.00 C ATOM 899 C ARG A 60 -0.718 0.982 -6.570 1.00 0.00 C ATOM 900 O ARG A 60 0.102 0.789 -7.460 1.00 0.00 O ATOM 901 CB ARG A 60 -3.039 0.955 -7.564 1.00 0.00 C ATOM 902 CG ARG A 60 -3.616 2.296 -7.078 1.00 0.00 C ATOM 903 CD ARG A 60 -4.303 3.167 -8.155 1.00 0.00 C ATOM 904 NE ARG A 60 -5.677 2.655 -8.521 1.00 0.00 N ATOM 905 CZ ARG A 60 -5.893 1.563 -9.322 1.00 0.00 C ATOM 906 NH1 ARG A 60 -4.947 1.109 -10.194 1.00 0.00 N ATOM 907 NH2 ARG A 60 -7.100 0.926 -9.255 1.00 0.00 N ATOM 0 H ARG A 60 -3.339 0.517 -4.992 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.892 -0.721 -7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.540 1.121 -8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.867 0.271 -7.752 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.339 2.093 -6.288 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.809 2.876 -6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.385 4.191 -7.792 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.679 3.195 -9.048 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.489 3.149 -8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.048 1.585 -10.264 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.139 0.294 -10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.821 1.265 -8.617 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.280 0.112 -9.843 1.00 0.00 H new ATOM 921 N LYS A 61 -0.466 1.794 -5.507 1.00 0.00 N ATOM 922 CA LYS A 61 0.704 2.625 -5.352 1.00 0.00 C ATOM 923 C LYS A 61 1.940 1.819 -5.083 1.00 0.00 C ATOM 924 O LYS A 61 2.985 2.046 -5.690 1.00 0.00 O ATOM 925 CB LYS A 61 0.478 3.760 -4.335 1.00 0.00 C ATOM 926 CG LYS A 61 1.560 4.850 -4.382 1.00 0.00 C ATOM 927 CD LYS A 61 1.091 6.229 -3.886 1.00 0.00 C ATOM 928 CE LYS A 61 2.226 7.264 -3.832 1.00 0.00 C ATOM 929 NZ LYS A 61 1.731 8.585 -3.451 1.00 0.00 N ATOM 0 H LYS A 61 -1.111 1.872 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 61 0.878 3.117 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.494 4.216 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.444 3.336 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.409 4.529 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.917 4.948 -5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.302 6.596 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.655 6.123 -2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.983 6.938 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.712 7.324 -4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.535 9.211 -3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.174 8.986 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.131 8.500 -2.606 1.00 0.00 H new ATOM 943 N CYS A 62 1.793 0.796 -4.211 1.00 0.00 N ATOM 944 CA CYS A 62 2.818 -0.149 -3.833 1.00 0.00 C ATOM 945 C CYS A 62 3.197 -1.054 -4.992 1.00 0.00 C ATOM 946 O CYS A 62 4.370 -1.359 -5.188 1.00 0.00 O ATOM 947 CB CYS A 62 2.499 -0.880 -2.504 1.00 0.00 C ATOM 948 SG CYS A 62 1.204 -2.158 -2.518 1.00 0.00 S ATOM 0 H CYS A 62 0.906 0.616 -3.740 1.00 0.00 H new ATOM 0 HA CYS A 62 3.724 0.413 -3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.420 -1.342 -2.148 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.216 -0.127 -1.769 1.00 0.00 H new ATOM 0 HG CYS A 62 1.753 -3.333 -2.426 1.00 0.00 H new ATOM 954 N LEU A 63 2.191 -1.429 -5.833 1.00 0.00 N ATOM 955 CA LEU A 63 2.316 -2.243 -7.030 1.00 0.00 C ATOM 956 C LEU A 63 3.092 -1.506 -8.098 1.00 0.00 C ATOM 957 O LEU A 63 3.948 -2.094 -8.758 1.00 0.00 O ATOM 958 CB LEU A 63 0.947 -2.675 -7.613 1.00 0.00 C ATOM 959 CG LEU A 63 0.281 -3.876 -6.902 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.213 -3.978 -7.266 1.00 0.00 C ATOM 961 CD2 LEU A 63 1.011 -5.197 -7.214 1.00 0.00 C ATOM 0 H LEU A 63 1.226 -1.144 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 63 2.850 -3.143 -6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.267 -1.824 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.080 -2.924 -8.666 1.00 0.00 H new ATOM 0 HG LEU A 63 0.359 -3.701 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.655 -4.831 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.725 -3.065 -6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.317 -4.110 -8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.514 -6.018 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.990 -5.379 -8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.046 -5.129 -6.878 1.00 0.00 H new ATOM 973 N GLN A 64 2.827 -0.173 -8.238 1.00 0.00 N ATOM 974 CA GLN A 64 3.454 0.744 -9.175 1.00 0.00 C ATOM 975 C GLN A 64 4.913 0.928 -8.845 1.00 0.00 C ATOM 976 O GLN A 64 5.756 1.057 -9.732 1.00 0.00 O ATOM 977 CB GLN A 64 2.758 2.125 -9.229 1.00 0.00 C ATOM 978 CG GLN A 64 1.427 2.110 -10.017 1.00 0.00 C ATOM 979 CD GLN A 64 0.589 3.370 -9.735 1.00 0.00 C ATOM 980 OE1 GLN A 64 -0.470 3.288 -9.100 1.00 0.00 O ATOM 981 NE2 GLN A 64 1.078 4.548 -10.226 1.00 0.00 N ATOM 0 H GLN A 64 2.129 0.292 -7.658 1.00 0.00 H new ATOM 0 HA GLN A 64 3.351 0.288 -10.160 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.566 2.467 -8.212 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.434 2.847 -9.686 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.636 2.042 -11.085 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.854 1.223 -9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.957 4.559 -10.743 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.564 5.416 -10.075 1.00 0.00 H new ATOM 990 N ALA A 65 5.214 0.881 -7.523 1.00 0.00 N ATOM 991 CA ALA A 65 6.525 1.026 -6.924 1.00 0.00 C ATOM 992 C ALA A 65 7.425 -0.133 -7.259 1.00 0.00 C ATOM 993 O ALA A 65 8.619 0.048 -7.490 1.00 0.00 O ATOM 994 CB ALA A 65 6.485 1.295 -5.415 1.00 0.00 C ATOM 0 H ALA A 65 4.490 0.731 -6.821 1.00 0.00 H new ATOM 0 HA ALA A 65 6.955 1.922 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.502 1.392 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.937 2.218 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.987 0.467 -4.911 1.00 0.00 H new ATOM 1000 N GLY A 66 6.831 -1.347 -7.298 1.00 0.00 N ATOM 1001 CA GLY A 66 7.496 -2.562 -7.706 1.00 0.00 C ATOM 1002 C GLY A 66 7.449 -3.609 -6.642 1.00 0.00 C ATOM 1003 O GLY A 66 8.338 -4.459 -6.594 1.00 0.00 O ATOM 0 H GLY A 66 5.855 -1.491 -7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.028 -2.945 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.535 -2.342 -7.953 1.00 0.00 H new ATOM 1007 N MET A 67 6.385 -3.610 -5.783 1.00 0.00 N ATOM 1008 CA MET A 67 6.205 -4.568 -4.685 1.00 0.00 C ATOM 1009 C MET A 67 5.983 -5.954 -5.247 1.00 0.00 C ATOM 1010 O MET A 67 5.424 -6.088 -6.336 1.00 0.00 O ATOM 1011 CB MET A 67 5.002 -4.283 -3.755 1.00 0.00 C ATOM 1012 CG MET A 67 5.220 -3.190 -2.693 1.00 0.00 C ATOM 1013 SD MET A 67 6.396 -3.669 -1.383 1.00 0.00 S ATOM 1014 CE MET A 67 5.275 -4.540 -0.253 1.00 0.00 C ATOM 0 H MET A 67 5.627 -2.930 -5.848 1.00 0.00 H new ATOM 0 HA MET A 67 7.117 -4.477 -4.095 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.149 -3.999 -4.372 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.733 -5.209 -3.246 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.583 -2.286 -3.183 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.262 -2.942 -2.237 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.796 -4.761 0.678 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.409 -3.912 -0.044 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.945 -5.471 -0.714 1.00 0.00 H new ATOM 1024 N ASN A 68 6.416 -7.017 -4.520 1.00 0.00 N ATOM 1025 CA ASN A 68 6.227 -8.357 -5.039 1.00 0.00 C ATOM 1026 C ASN A 68 6.337 -9.286 -3.878 1.00 0.00 C ATOM 1027 O ASN A 68 7.310 -9.283 -3.137 1.00 0.00 O ATOM 1028 CB ASN A 68 7.243 -8.753 -6.159 1.00 0.00 C ATOM 1029 CG ASN A 68 6.658 -9.741 -7.185 1.00 0.00 C ATOM 1030 OD1 ASN A 68 7.108 -10.884 -7.312 1.00 0.00 O ATOM 1031 ND2 ASN A 68 5.632 -9.245 -7.935 1.00 0.00 N ATOM 0 H ASN A 68 6.877 -6.959 -3.612 1.00 0.00 H new ATOM 0 HA ASN A 68 5.250 -8.412 -5.520 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.572 -7.852 -6.678 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.126 -9.197 -5.699 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.193 -9.828 -8.648 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.304 -8.291 -7.783 1.00 0.00 H new ATOM 1038 N LEU A 69 5.337 -10.172 -3.712 1.00 0.00 N ATOM 1039 CA LEU A 69 5.232 -11.109 -2.610 1.00 0.00 C ATOM 1040 C LEU A 69 5.895 -12.422 -3.012 1.00 0.00 C ATOM 1041 O LEU A 69 5.566 -13.514 -2.554 1.00 0.00 O ATOM 1042 CB LEU A 69 3.752 -11.116 -2.137 1.00 0.00 C ATOM 1043 CG LEU A 69 3.195 -12.268 -1.270 1.00 0.00 C ATOM 1044 CD1 LEU A 69 3.860 -12.319 0.114 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.660 -12.174 -1.180 1.00 0.00 C ATOM 0 H LEU A 69 4.561 -10.247 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 69 5.788 -10.835 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.591 -10.192 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.131 -11.062 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 69 3.443 -13.212 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.439 -13.143 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.933 -12.469 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.680 -11.381 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.281 -12.991 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.380 -11.222 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.232 -12.242 -2.180 1.00 0.00 H new ATOM 1057 N GLU A 70 6.918 -12.275 -3.884 1.00 0.00 N ATOM 1058 CA GLU A 70 7.817 -13.256 -4.424 1.00 0.00 C ATOM 1059 C GLU A 70 8.953 -12.415 -4.961 1.00 0.00 C ATOM 1060 O GLU A 70 9.477 -12.644 -6.051 1.00 0.00 O ATOM 1061 CB GLU A 70 7.253 -14.136 -5.567 1.00 0.00 C ATOM 1062 CG GLU A 70 6.026 -14.998 -5.200 1.00 0.00 C ATOM 1063 CD GLU A 70 5.631 -15.905 -6.369 1.00 0.00 C ATOM 1064 OE1 GLU A 70 6.410 -16.846 -6.682 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.543 -15.671 -6.962 1.00 0.00 O ATOM 0 H GLU A 70 7.137 -11.350 -4.253 1.00 0.00 H new ATOM 0 HA GLU A 70 8.075 -13.980 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.983 -13.488 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.046 -14.796 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.251 -15.605 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.188 -14.353 -4.935 1.00 0.00 H new ATOM 1072 N ALA A 71 9.353 -11.401 -4.157 1.00 0.00 N ATOM 1073 CA ALA A 71 10.385 -10.426 -4.447 1.00 0.00 C ATOM 1074 C ALA A 71 11.707 -10.941 -3.931 1.00 0.00 C ATOM 1075 O ALA A 71 11.776 -11.980 -3.274 1.00 0.00 O ATOM 1076 CB ALA A 71 10.104 -9.069 -3.768 1.00 0.00 C ATOM 0 H ALA A 71 8.929 -11.249 -3.242 1.00 0.00 H new ATOM 0 HA ALA A 71 10.405 -10.278 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.902 -8.368 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.153 -8.674 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.058 -9.205 -2.688 1.00 0.00 H new ATOM 1082 N ARG A 72 12.787 -10.186 -4.237 1.00 0.00 N ATOM 1083 CA ARG A 72 14.158 -10.456 -3.865 1.00 0.00 C ATOM 1084 C ARG A 72 14.670 -9.299 -2.979 1.00 0.00 C ATOM 1085 O ARG A 72 15.778 -9.456 -2.399 1.00 0.00 O ATOM 1086 CB ARG A 72 15.081 -10.669 -5.097 1.00 0.00 C ATOM 1087 CG ARG A 72 15.275 -9.484 -6.077 1.00 0.00 C ATOM 1088 CD ARG A 72 14.002 -9.014 -6.807 1.00 0.00 C ATOM 1089 NE ARG A 72 14.386 -8.020 -7.872 1.00 0.00 N ATOM 1090 CZ ARG A 72 13.446 -7.278 -8.544 1.00 0.00 C ATOM 1091 NH1 ARG A 72 12.208 -7.036 -8.024 1.00 0.00 N ATOM 1092 NH2 ARG A 72 13.770 -6.756 -9.765 1.00 0.00 N ATOM 1093 OXT ARG A 72 13.969 -8.257 -2.868 1.00 0.00 O ATOM 0 H ARG A 72 12.699 -9.328 -4.781 1.00 0.00 H new ATOM 0 HA ARG A 72 14.185 -11.392 -3.307 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.064 -10.963 -4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.688 -11.512 -5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.688 -8.641 -5.523 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.017 -9.769 -6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.488 -9.865 -7.254 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.309 -8.559 -6.100 1.00 0.00 H new ATOM 0 HE ARG A 72 15.372 -7.895 -8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.957 -7.411 -7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.533 -6.481 -8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.696 -6.921 -10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.086 -6.202 -10.281 1.00 0.00 H new