USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 493 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 34 HIS : no HD1:sc= -2.25! C(o=-5.3!,f=-14!) USER MOD Set 1.2: A 49 CYS SG : rot 137:sc= -2.33 USER MOD Set 1.3: A 50 CYS SG : rot -55:sc= 0.862 USER MOD Set 1.4: A 66 CYS SG : rot -130:sc= -0.4 USER MOD Set 1.5: A 67 THR OG1 : rot -110:sc= -1.15 USER MOD Set 2.1: A 12 CYS SG : rot 149:sc= 0.16 USER MOD Set 2.2: A 14 ASN : amide:sc= -10.3! C(o=-20!,f=-25!) USER MOD Set 2.3: A 17 CYS SG : rot -155:sc= 0.157 USER MOD Set 2.4: A 31 CYS SG : rot 51:sc= -0.78 USER MOD Set 2.5: A 71 HIS : no HD1:sc= -4.96! C(o=-20!,f=-20!) USER MOD Set 2.6: A 72 ASN : amide:sc= -3.92! C(o=-20!,f=-20!) USER MOD Single : A 8 MET CE :methyl -137:sc= 0 (180deg=-0.0245) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.053) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -4.61! C(o=-4.6!,f=-15!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0797 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -10.8! C(o=-11!,f=-20!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -34:sc= 1.08 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 120:sc= -1.12 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -0.516 14.134 -1.524 1.00 0.00 N ATOM 67 CA MET A 8 0.935 14.064 -1.652 1.00 0.00 C ATOM 68 C MET A 8 1.430 12.636 -1.449 1.00 0.00 C ATOM 69 O MET A 8 2.634 12.394 -1.358 1.00 0.00 O ATOM 70 CB MET A 8 1.603 14.998 -0.641 1.00 0.00 C ATOM 71 CG MET A 8 1.252 14.681 0.803 1.00 0.00 C ATOM 72 SD MET A 8 1.766 15.978 1.944 1.00 0.00 S ATOM 73 CE MET A 8 0.463 17.182 1.701 1.00 0.00 C ATOM 0 HA MET A 8 1.202 14.382 -2.660 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.684 14.940 -0.765 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.312 16.025 -0.860 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.175 14.534 0.887 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.725 13.742 1.090 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.896 18.181 1.645 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.066 16.964 0.773 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.236 17.136 2.536 1.00 0.00 H new ATOM 83 N ALA A 9 0.495 11.694 -1.378 1.00 0.00 N ATOM 84 CA ALA A 9 0.838 10.291 -1.186 1.00 0.00 C ATOM 85 C ALA A 9 1.273 9.648 -2.499 1.00 0.00 C ATOM 86 O ALA A 9 0.442 9.222 -3.300 1.00 0.00 O ATOM 87 CB ALA A 9 -0.344 9.535 -0.594 1.00 0.00 C ATOM 0 H ALA A 9 -0.506 11.878 -1.451 1.00 0.00 H new ATOM 0 HA ALA A 9 1.675 10.239 -0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.074 8.488 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.610 9.971 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.196 9.604 -1.271 1.00 0.00 H new ATOM 93 N LEU A 10 2.583 9.582 -2.712 1.00 0.00 N ATOM 94 CA LEU A 10 3.130 8.992 -3.929 1.00 0.00 C ATOM 95 C LEU A 10 3.127 7.469 -3.845 1.00 0.00 C ATOM 96 O LEU A 10 3.419 6.893 -2.796 1.00 0.00 O ATOM 97 CB LEU A 10 4.554 9.497 -4.168 1.00 0.00 C ATOM 98 CG LEU A 10 4.783 10.991 -3.941 1.00 0.00 C ATOM 99 CD1 LEU A 10 6.184 11.390 -4.380 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.738 11.810 -4.683 1.00 0.00 C ATOM 0 H LEU A 10 3.285 9.929 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 10 2.498 9.293 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.229 8.943 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.835 9.258 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 10 4.686 11.195 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.328 12.457 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.920 10.828 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.309 11.171 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.917 12.871 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.803 11.601 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.744 11.546 -4.321 1.00 0.00 H new ATOM 112 N LEU A 11 2.795 6.821 -4.956 1.00 0.00 N ATOM 113 CA LEU A 11 2.755 5.363 -5.009 1.00 0.00 C ATOM 114 C LEU A 11 4.151 4.788 -5.227 1.00 0.00 C ATOM 115 O LEU A 11 4.830 5.126 -6.197 1.00 0.00 O ATOM 116 CB LEU A 11 1.820 4.900 -6.127 1.00 0.00 C ATOM 117 CG LEU A 11 1.734 3.389 -6.347 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.720 2.656 -5.014 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.499 3.038 -7.164 1.00 0.00 C ATOM 0 H LEU A 11 2.550 7.282 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 11 2.377 4.999 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.818 5.274 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.142 5.365 -7.059 1.00 0.00 H new ATOM 0 HG LEU A 11 2.615 3.071 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.658 1.582 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.634 2.882 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.857 2.978 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.454 1.959 -7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.394 3.370 -6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.551 3.534 -8.133 1.00 0.00 H new ATOM 131 N CYS A 12 4.575 3.916 -4.318 1.00 0.00 N ATOM 132 CA CYS A 12 5.889 3.291 -4.410 1.00 0.00 C ATOM 133 C CYS A 12 5.898 2.198 -5.475 1.00 0.00 C ATOM 134 O CYS A 12 4.957 1.409 -5.578 1.00 0.00 O ATOM 135 CB CYS A 12 6.293 2.704 -3.057 1.00 0.00 C ATOM 136 SG CYS A 12 8.028 2.152 -2.975 1.00 0.00 S ATOM 0 H CYS A 12 4.027 3.626 -3.508 1.00 0.00 H new ATOM 0 HA CYS A 12 6.610 4.057 -4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.124 3.453 -2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.643 1.859 -2.831 1.00 0.00 H new ATOM 0 HG CYS A 12 8.475 2.303 -1.764 1.00 0.00 H new ATOM 141 N TYR A 13 6.965 2.157 -6.264 1.00 0.00 N ATOM 142 CA TYR A 13 7.096 1.162 -7.322 1.00 0.00 C ATOM 143 C TYR A 13 8.311 0.270 -7.084 1.00 0.00 C ATOM 144 O TYR A 13 8.974 -0.159 -8.027 1.00 0.00 O ATOM 145 CB TYR A 13 7.212 1.849 -8.684 1.00 0.00 C ATOM 146 CG TYR A 13 5.925 2.490 -9.152 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.974 1.755 -9.847 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.661 3.830 -8.897 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.797 2.337 -10.277 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.486 4.420 -9.321 1.00 0.00 C ATOM 151 CZ TYR A 13 3.557 3.669 -10.011 1.00 0.00 C ATOM 152 OH TYR A 13 2.385 4.252 -10.436 1.00 0.00 O ATOM 0 H TYR A 13 7.752 2.801 -6.191 1.00 0.00 H new ATOM 0 HA TYR A 13 6.203 0.538 -7.312 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.989 2.611 -8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.533 1.117 -9.425 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.157 0.711 -10.055 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.387 4.421 -8.358 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.069 1.752 -10.819 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.296 5.463 -9.114 1.00 0.00 H new ATOM 0 HH TYR A 13 2.372 5.194 -10.167 1.00 0.00 H new ATOM 162 N ASN A 14 8.594 -0.005 -5.815 1.00 0.00 N ATOM 163 CA ASN A 14 9.728 -0.847 -5.451 1.00 0.00 C ATOM 164 C ASN A 14 9.262 -2.239 -5.036 1.00 0.00 C ATOM 165 O ASN A 14 8.460 -2.387 -4.114 1.00 0.00 O ATOM 166 CB ASN A 14 10.523 -0.203 -4.312 1.00 0.00 C ATOM 167 CG ASN A 14 11.151 1.116 -4.719 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.722 1.235 -5.803 1.00 0.00 O ATOM 169 ND2 ASN A 14 11.049 2.113 -3.849 1.00 0.00 N ATOM 0 H ASN A 14 8.054 0.342 -5.022 1.00 0.00 H new ATOM 0 HA ASN A 14 10.371 -0.944 -6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.864 -0.041 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.305 -0.889 -3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.453 3.024 -4.067 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.566 1.969 -2.962 1.00 0.00 H new ATOM 176 N ARG A 15 9.771 -3.256 -5.725 1.00 0.00 N ATOM 177 CA ARG A 15 9.405 -4.636 -5.429 1.00 0.00 C ATOM 178 C ARG A 15 9.394 -4.886 -3.924 1.00 0.00 C ATOM 179 O ARG A 15 10.379 -4.624 -3.234 1.00 0.00 O ATOM 180 CB ARG A 15 10.379 -5.601 -6.109 1.00 0.00 C ATOM 181 CG ARG A 15 10.465 -5.418 -7.616 1.00 0.00 C ATOM 182 CD ARG A 15 11.748 -6.008 -8.177 1.00 0.00 C ATOM 183 NE ARG A 15 12.828 -5.026 -8.223 1.00 0.00 N ATOM 184 CZ ARG A 15 13.927 -5.176 -8.954 1.00 0.00 C ATOM 185 NH1 ARG A 15 14.090 -6.262 -9.696 1.00 0.00 N ATOM 186 NH2 ARG A 15 14.865 -4.238 -8.943 1.00 0.00 N ATOM 0 H ARG A 15 10.437 -3.150 -6.491 1.00 0.00 H new ATOM 0 HA ARG A 15 8.401 -4.809 -5.816 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.371 -5.466 -5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.074 -6.625 -5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.607 -5.894 -8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.415 -4.356 -7.858 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.055 -6.856 -7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.563 -6.390 -9.181 1.00 0.00 H new ATOM 0 HE ARG A 15 12.733 -4.179 -7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.371 -6.985 -9.707 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.935 -6.375 -10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.743 -3.401 -8.373 1.00 0.00 H new ATOM 0 HH22 ARG A 15 15.709 -4.354 -9.504 1.00 0.00 H new ATOM 200 N GLY A 16 8.273 -5.392 -3.420 1.00 0.00 N ATOM 201 CA GLY A 16 8.155 -5.667 -2.000 1.00 0.00 C ATOM 202 C GLY A 16 7.365 -4.601 -1.267 1.00 0.00 C ATOM 203 O GLY A 16 6.887 -4.826 -0.155 1.00 0.00 O ATOM 0 H GLY A 16 7.444 -5.617 -3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.672 -6.634 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.151 -5.741 -1.563 1.00 0.00 H new ATOM 207 N CYS A 17 7.229 -3.435 -1.889 1.00 0.00 N ATOM 208 CA CYS A 17 6.495 -2.328 -1.289 1.00 0.00 C ATOM 209 C CYS A 17 5.177 -2.089 -2.020 1.00 0.00 C ATOM 210 O CYS A 17 4.102 -2.369 -1.492 1.00 0.00 O ATOM 211 CB CYS A 17 7.342 -1.054 -1.312 1.00 0.00 C ATOM 212 SG CYS A 17 7.004 0.089 0.066 1.00 0.00 S ATOM 0 H CYS A 17 7.618 -3.232 -2.810 1.00 0.00 H new ATOM 0 HA CYS A 17 6.274 -2.590 -0.254 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.396 -1.331 -1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.169 -0.532 -2.253 1.00 0.00 H new ATOM 0 HG CYS A 17 7.333 1.298 -0.282 1.00 0.00 H new ATOM 217 N GLY A 18 5.271 -1.569 -3.240 1.00 0.00 N ATOM 218 CA GLY A 18 4.078 -1.302 -4.025 1.00 0.00 C ATOM 219 C GLY A 18 3.018 -0.560 -3.235 1.00 0.00 C ATOM 220 O GLY A 18 1.847 -0.553 -3.611 1.00 0.00 O ATOM 0 H GLY A 18 6.150 -1.328 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.348 -0.716 -4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.665 -2.244 -4.385 1.00 0.00 H new ATOM 224 N GLN A 19 3.431 0.065 -2.136 1.00 0.00 N ATOM 225 CA GLN A 19 2.507 0.811 -1.290 1.00 0.00 C ATOM 226 C GLN A 19 2.754 2.311 -1.404 1.00 0.00 C ATOM 227 O GLN A 19 3.818 2.742 -1.848 1.00 0.00 O ATOM 228 CB GLN A 19 2.646 0.368 0.167 1.00 0.00 C ATOM 229 CG GLN A 19 2.142 -1.043 0.425 1.00 0.00 C ATOM 230 CD GLN A 19 1.602 -1.223 1.830 1.00 0.00 C ATOM 231 OE1 GLN A 19 1.985 -2.150 2.542 1.00 0.00 O ATOM 232 NE2 GLN A 19 0.703 -0.333 2.236 1.00 0.00 N ATOM 0 H GLN A 19 4.398 0.069 -1.812 1.00 0.00 H new ATOM 0 HA GLN A 19 1.493 0.602 -1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.695 0.429 0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.098 1.063 0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.359 -1.282 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.954 -1.751 0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.414 0.420 1.612 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.302 -0.403 3.171 1.00 0.00 H new ATOM 241 N ARG A 20 1.764 3.102 -1.001 1.00 0.00 N ATOM 242 CA ARG A 20 1.875 4.554 -1.060 1.00 0.00 C ATOM 243 C ARG A 20 2.849 5.068 -0.004 1.00 0.00 C ATOM 244 O ARG A 20 3.365 4.299 0.808 1.00 0.00 O ATOM 245 CB ARG A 20 0.502 5.200 -0.860 1.00 0.00 C ATOM 246 CG ARG A 20 -0.481 4.896 -1.977 1.00 0.00 C ATOM 247 CD ARG A 20 -0.387 5.920 -3.097 1.00 0.00 C ATOM 248 NE ARG A 20 -1.660 6.090 -3.793 1.00 0.00 N ATOM 249 CZ ARG A 20 -2.675 6.794 -3.305 1.00 0.00 C ATOM 250 NH1 ARG A 20 -2.568 7.390 -2.126 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.803 6.902 -3.998 1.00 0.00 N ATOM 0 H ARG A 20 0.877 2.761 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 20 2.257 4.825 -2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.082 4.857 0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.626 6.280 -0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.284 3.901 -2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.495 4.885 -1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.068 6.878 -2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.377 5.608 -3.810 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.776 5.644 -4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.704 7.309 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.350 7.930 -1.755 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.890 6.444 -4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.582 7.443 -3.623 1.00 0.00 H new ATOM 265 N PHE A 21 3.099 6.373 -0.022 1.00 0.00 N ATOM 266 CA PHE A 21 4.012 6.991 0.933 1.00 0.00 C ATOM 267 C PHE A 21 3.981 8.511 0.810 1.00 0.00 C ATOM 268 O PHE A 21 3.481 9.055 -0.175 1.00 0.00 O ATOM 269 CB PHE A 21 5.436 6.478 0.711 1.00 0.00 C ATOM 270 CG PHE A 21 6.083 7.023 -0.530 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.894 6.404 -1.755 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.882 8.155 -0.472 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.488 6.903 -2.899 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.476 8.658 -1.613 1.00 0.00 C ATOM 275 CZ PHE A 21 7.280 8.031 -2.828 1.00 0.00 C ATOM 0 H PHE A 21 2.682 7.024 -0.688 1.00 0.00 H new ATOM 0 HA PHE A 21 3.687 6.720 1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.047 6.740 1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.417 5.390 0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.275 5.521 -1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.041 8.648 0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.332 6.411 -3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.094 9.542 -1.555 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.745 8.423 -3.720 1.00 0.00 H new ATOM 285 N ASP A 22 4.518 9.191 1.817 1.00 0.00 N ATOM 286 CA ASP A 22 4.554 10.649 1.823 1.00 0.00 C ATOM 287 C ASP A 22 5.984 11.158 1.674 1.00 0.00 C ATOM 288 O ASP A 22 6.882 10.792 2.433 1.00 0.00 O ATOM 289 CB ASP A 22 3.938 11.190 3.114 1.00 0.00 C ATOM 290 CG ASP A 22 2.601 10.549 3.431 1.00 0.00 C ATOM 291 OD1 ASP A 22 2.554 9.308 3.557 1.00 0.00 O ATOM 292 OD2 ASP A 22 1.602 11.289 3.552 1.00 0.00 O ATOM 0 H ASP A 22 4.935 8.756 2.640 1.00 0.00 H new ATOM 0 HA ASP A 22 3.971 11.006 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.626 11.017 3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.809 12.269 3.027 1.00 0.00 H new ATOM 297 N PRO A 23 6.203 12.023 0.672 1.00 0.00 N ATOM 298 CA PRO A 23 7.523 12.601 0.400 1.00 0.00 C ATOM 299 C PRO A 23 7.957 13.588 1.478 1.00 0.00 C ATOM 300 O PRO A 23 9.123 13.621 1.868 1.00 0.00 O ATOM 301 CB PRO A 23 7.325 13.321 -0.936 1.00 0.00 C ATOM 302 CG PRO A 23 5.870 13.631 -0.988 1.00 0.00 C ATOM 303 CD PRO A 23 5.179 12.504 -0.271 1.00 0.00 C ATOM 0 HA PRO A 23 8.305 11.842 0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.925 14.229 -0.989 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.626 12.691 -1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.658 14.587 -0.509 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.524 13.708 -2.019 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.284 12.846 0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.867 11.720 -0.961 1.00 0.00 H new ATOM 311 N GLU A 24 7.010 14.390 1.956 1.00 0.00 N ATOM 312 CA GLU A 24 7.297 15.378 2.989 1.00 0.00 C ATOM 313 C GLU A 24 8.014 14.735 4.173 1.00 0.00 C ATOM 314 O GLU A 24 8.620 15.423 4.996 1.00 0.00 O ATOM 315 CB GLU A 24 6.003 16.044 3.462 1.00 0.00 C ATOM 316 CG GLU A 24 5.033 15.083 4.128 1.00 0.00 C ATOM 317 CD GLU A 24 3.689 15.722 4.421 1.00 0.00 C ATOM 318 OE1 GLU A 24 3.514 16.914 4.094 1.00 0.00 O ATOM 319 OE2 GLU A 24 2.812 15.028 4.977 1.00 0.00 O ATOM 0 H GLU A 24 6.039 14.375 1.645 1.00 0.00 H new ATOM 0 HA GLU A 24 7.951 16.136 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.250 16.842 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.511 16.510 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.886 14.216 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.469 14.719 5.058 1.00 0.00 H new ATOM 326 N THR A 25 7.941 13.410 4.253 1.00 0.00 N ATOM 327 CA THR A 25 8.580 12.673 5.336 1.00 0.00 C ATOM 328 C THR A 25 9.493 11.581 4.793 1.00 0.00 C ATOM 329 O THR A 25 10.449 11.174 5.452 1.00 0.00 O ATOM 330 CB THR A 25 7.537 12.036 6.273 1.00 0.00 C ATOM 331 OG1 THR A 25 8.056 10.823 6.831 1.00 0.00 O ATOM 332 CG2 THR A 25 6.245 11.744 5.526 1.00 0.00 C ATOM 0 H THR A 25 7.445 12.825 3.580 1.00 0.00 H new ATOM 0 HA THR A 25 9.174 13.392 5.901 1.00 0.00 H new ATOM 0 HB THR A 25 7.322 12.742 7.075 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.388 10.425 7.427 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.524 11.294 6.209 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.837 12.673 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.447 11.055 4.706 1.00 0.00 H new ATOM 340 N ASN A 26 9.194 11.110 3.586 1.00 0.00 N ATOM 341 CA ASN A 26 9.990 10.064 2.955 1.00 0.00 C ATOM 342 C ASN A 26 11.464 10.205 3.322 1.00 0.00 C ATOM 343 O ASN A 26 11.993 11.315 3.394 1.00 0.00 O ATOM 344 CB ASN A 26 9.823 10.116 1.435 1.00 0.00 C ATOM 345 CG ASN A 26 10.811 9.219 0.714 1.00 0.00 C ATOM 346 OD1 ASN A 26 12.011 9.252 0.988 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.310 8.411 -0.213 1.00 0.00 N ATOM 0 H ASN A 26 8.406 11.436 3.026 1.00 0.00 H new ATOM 0 HA ASN A 26 9.635 9.101 3.320 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.808 9.818 1.173 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.952 11.143 1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.926 7.784 -0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.309 8.417 -0.407 1.00 0.00 H new ATOM 354 N SER A 27 12.122 9.074 3.551 1.00 0.00 N ATOM 355 CA SER A 27 13.535 9.071 3.914 1.00 0.00 C ATOM 356 C SER A 27 14.224 7.811 3.401 1.00 0.00 C ATOM 357 O SER A 27 13.570 6.874 2.943 1.00 0.00 O ATOM 358 CB SER A 27 13.694 9.171 5.432 1.00 0.00 C ATOM 359 OG SER A 27 12.997 10.294 5.945 1.00 0.00 O ATOM 0 H SER A 27 11.700 8.147 3.492 1.00 0.00 H new ATOM 0 HA SER A 27 14.006 9.937 3.449 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.319 8.261 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.751 9.248 5.686 1.00 0.00 H new ATOM 0 HG SER A 27 13.113 10.335 6.917 1.00 0.00 H new ATOM 365 N ASP A 28 15.550 7.795 3.482 1.00 0.00 N ATOM 366 CA ASP A 28 16.332 6.650 3.028 1.00 0.00 C ATOM 367 C ASP A 28 16.082 5.436 3.916 1.00 0.00 C ATOM 368 O ASP A 28 16.583 4.344 3.646 1.00 0.00 O ATOM 369 CB ASP A 28 17.821 6.994 3.018 1.00 0.00 C ATOM 370 CG ASP A 28 18.268 7.598 1.702 1.00 0.00 C ATOM 371 OD1 ASP A 28 18.504 6.830 0.746 1.00 0.00 O ATOM 372 OD2 ASP A 28 18.381 8.840 1.628 1.00 0.00 O ATOM 0 H ASP A 28 16.107 8.563 3.858 1.00 0.00 H new ATOM 0 HA ASP A 28 16.018 6.406 2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.034 7.693 3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.400 6.092 3.216 1.00 0.00 H new ATOM 377 N ASP A 29 15.306 5.633 4.975 1.00 0.00 N ATOM 378 CA ASP A 29 14.990 4.554 5.904 1.00 0.00 C ATOM 379 C ASP A 29 13.493 4.509 6.195 1.00 0.00 C ATOM 380 O ASP A 29 13.076 4.207 7.314 1.00 0.00 O ATOM 381 CB ASP A 29 15.771 4.729 7.207 1.00 0.00 C ATOM 382 CG ASP A 29 15.307 5.933 8.003 1.00 0.00 C ATOM 383 OD1 ASP A 29 14.502 6.725 7.467 1.00 0.00 O ATOM 384 OD2 ASP A 29 15.748 6.084 9.161 1.00 0.00 O ATOM 0 H ASP A 29 14.883 6.531 5.212 1.00 0.00 H new ATOM 0 HA ASP A 29 15.280 3.611 5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.663 3.831 7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.832 4.834 6.980 1.00 0.00 H new ATOM 389 N ALA A 30 12.688 4.813 5.182 1.00 0.00 N ATOM 390 CA ALA A 30 11.237 4.806 5.329 1.00 0.00 C ATOM 391 C ALA A 30 10.591 3.827 4.355 1.00 0.00 C ATOM 392 O ALA A 30 9.420 3.475 4.498 1.00 0.00 O ATOM 393 CB ALA A 30 10.679 6.206 5.121 1.00 0.00 C ATOM 0 H ALA A 30 13.016 5.067 4.250 1.00 0.00 H new ATOM 0 HA ALA A 30 11.001 4.479 6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.595 6.186 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.108 6.882 5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.933 6.554 4.120 1.00 0.00 H new ATOM 399 N CYS A 31 11.361 3.390 3.365 1.00 0.00 N ATOM 400 CA CYS A 31 10.865 2.452 2.366 1.00 0.00 C ATOM 401 C CYS A 31 11.639 1.138 2.420 1.00 0.00 C ATOM 402 O CYS A 31 12.868 1.124 2.349 1.00 0.00 O ATOM 403 CB CYS A 31 10.970 3.061 0.966 1.00 0.00 C ATOM 404 SG CYS A 31 10.483 1.930 -0.376 1.00 0.00 S ATOM 0 H CYS A 31 12.333 3.671 3.233 1.00 0.00 H new ATOM 0 HA CYS A 31 9.818 2.246 2.588 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.343 3.952 0.921 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.997 3.385 0.799 1.00 0.00 H new ATOM 0 HG CYS A 31 9.320 1.415 -0.109 1.00 0.00 H new ATOM 409 N THR A 32 10.910 0.033 2.547 1.00 0.00 N ATOM 410 CA THR A 32 11.528 -1.286 2.613 1.00 0.00 C ATOM 411 C THR A 32 11.142 -2.133 1.406 1.00 0.00 C ATOM 412 O THR A 32 10.040 -2.679 1.344 1.00 0.00 O ATOM 413 CB THR A 32 11.123 -2.032 3.899 1.00 0.00 C ATOM 414 OG1 THR A 32 10.929 -1.097 4.966 1.00 0.00 O ATOM 415 CG2 THR A 32 12.188 -3.045 4.293 1.00 0.00 C ATOM 0 H THR A 32 9.892 0.025 2.606 1.00 0.00 H new ATOM 0 HA THR A 32 12.607 -1.131 2.616 1.00 0.00 H new ATOM 0 HB THR A 32 10.191 -2.563 3.708 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.670 -1.578 5.780 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.881 -3.560 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.314 -3.771 3.490 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.133 -2.530 4.468 1.00 0.00 H new ATOM 423 N TYR A 33 12.056 -2.240 0.448 1.00 0.00 N ATOM 424 CA TYR A 33 11.811 -3.020 -0.759 1.00 0.00 C ATOM 425 C TYR A 33 12.939 -4.018 -1.001 1.00 0.00 C ATOM 426 O TYR A 33 13.858 -4.144 -0.190 1.00 0.00 O ATOM 427 CB TYR A 33 11.664 -2.095 -1.969 1.00 0.00 C ATOM 428 CG TYR A 33 12.882 -1.236 -2.225 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.158 -0.133 -1.427 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.757 -1.528 -3.265 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.269 0.655 -1.658 1.00 0.00 C ATOM 432 CE2 TYR A 33 14.870 -0.746 -3.502 1.00 0.00 C ATOM 433 CZ TYR A 33 15.122 0.344 -2.697 1.00 0.00 C ATOM 434 OH TYR A 33 16.230 1.126 -2.929 1.00 0.00 O ATOM 0 H TYR A 33 12.974 -1.796 0.484 1.00 0.00 H new ATOM 0 HA TYR A 33 10.883 -3.575 -0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.462 -2.698 -2.854 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.799 -1.449 -1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.493 0.113 -0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.563 -2.381 -3.898 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.469 1.510 -1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.540 -0.987 -4.314 1.00 0.00 H new ATOM 0 HH TYR A 33 16.726 0.771 -3.696 1.00 0.00 H new ATOM 444 N HIS A 34 12.865 -4.725 -2.124 1.00 0.00 N ATOM 445 CA HIS A 34 13.880 -5.711 -2.476 1.00 0.00 C ATOM 446 C HIS A 34 14.594 -5.320 -3.766 1.00 0.00 C ATOM 447 O HIS A 34 14.054 -5.445 -4.866 1.00 0.00 O ATOM 448 CB HIS A 34 13.247 -7.094 -2.630 1.00 0.00 C ATOM 449 CG HIS A 34 12.646 -7.622 -1.363 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.401 -8.091 -0.310 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.352 -7.751 -0.983 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.599 -8.487 0.663 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.351 -8.292 0.279 1.00 0.00 N ATOM 0 H HIS A 34 12.112 -4.633 -2.806 1.00 0.00 H new ATOM 0 HA HIS A 34 14.614 -5.743 -1.670 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.474 -7.047 -3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 34 14.004 -7.794 -2.983 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.483 -7.479 -1.564 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.911 -8.900 1.611 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.521 -8.508 0.830 1.00 0.00 H new ATOM 461 N PRO A 35 15.837 -4.834 -3.632 1.00 0.00 N ATOM 462 CA PRO A 35 16.650 -4.414 -4.776 1.00 0.00 C ATOM 463 C PRO A 35 17.099 -5.593 -5.632 1.00 0.00 C ATOM 464 O PRO A 35 17.840 -5.424 -6.600 1.00 0.00 O ATOM 465 CB PRO A 35 17.858 -3.736 -4.123 1.00 0.00 C ATOM 466 CG PRO A 35 17.955 -4.356 -2.772 1.00 0.00 C ATOM 467 CD PRO A 35 16.543 -4.657 -2.352 1.00 0.00 C ATOM 0 HA PRO A 35 16.095 -3.766 -5.454 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.767 -3.903 -4.702 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.718 -2.657 -4.055 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.555 -5.265 -2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.436 -3.679 -2.066 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.490 -5.555 -1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.116 -3.843 -1.767 1.00 0.00 H new ATOM 475 N GLY A 36 16.646 -6.789 -5.269 1.00 0.00 N ATOM 476 CA GLY A 36 17.011 -7.979 -6.014 1.00 0.00 C ATOM 477 C GLY A 36 15.920 -8.424 -6.968 1.00 0.00 C ATOM 478 O GLY A 36 15.186 -7.599 -7.511 1.00 0.00 O ATOM 0 H GLY A 36 16.032 -6.955 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.924 -7.786 -6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.231 -8.787 -5.317 1.00 0.00 H new ATOM 482 N VAL A 37 15.813 -9.733 -7.173 1.00 0.00 N ATOM 483 CA VAL A 37 14.804 -10.286 -8.068 1.00 0.00 C ATOM 484 C VAL A 37 14.149 -11.522 -7.461 1.00 0.00 C ATOM 485 O VAL A 37 14.726 -12.209 -6.618 1.00 0.00 O ATOM 486 CB VAL A 37 15.410 -10.660 -9.434 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.314 -9.488 -10.399 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.854 -11.111 -9.271 1.00 0.00 C ATOM 0 H VAL A 37 16.413 -10.430 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 37 14.050 -9.512 -8.212 1.00 0.00 H new ATOM 0 HB VAL A 37 14.840 -11.490 -9.850 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.747 -9.770 -11.359 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.268 -9.217 -10.539 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.859 -8.636 -9.992 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.266 -11.371 -10.246 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.440 -10.303 -8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.891 -11.982 -8.617 1.00 0.00 H new ATOM 498 N PRO A 38 12.914 -11.812 -7.898 1.00 0.00 N ATOM 499 CA PRO A 38 12.153 -12.966 -7.411 1.00 0.00 C ATOM 500 C PRO A 38 12.740 -14.290 -7.889 1.00 0.00 C ATOM 501 O PRO A 38 12.868 -14.527 -9.090 1.00 0.00 O ATOM 502 CB PRO A 38 10.761 -12.751 -8.009 1.00 0.00 C ATOM 503 CG PRO A 38 10.995 -11.921 -9.224 1.00 0.00 C ATOM 504 CD PRO A 38 12.167 -11.036 -8.901 1.00 0.00 C ATOM 0 HA PRO A 38 12.159 -13.029 -6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.288 -13.700 -8.263 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.101 -12.244 -7.304 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.206 -12.548 -10.090 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.113 -11.328 -9.467 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.772 -10.833 -9.784 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.846 -10.072 -8.506 1.00 0.00 H new ATOM 512 N VAL A 39 13.097 -15.151 -6.940 1.00 0.00 N ATOM 513 CA VAL A 39 13.667 -16.453 -7.264 1.00 0.00 C ATOM 514 C VAL A 39 12.802 -17.584 -6.723 1.00 0.00 C ATOM 515 O VAL A 39 12.104 -17.421 -5.721 1.00 0.00 O ATOM 516 CB VAL A 39 15.094 -16.596 -6.699 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.233 -15.817 -5.400 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.438 -18.063 -6.490 1.00 0.00 C ATOM 0 H VAL A 39 13.001 -14.970 -5.941 1.00 0.00 H new ATOM 0 HA VAL A 39 13.705 -16.520 -8.351 1.00 0.00 H new ATOM 0 HB VAL A 39 15.797 -16.181 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.247 -15.929 -5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.030 -14.762 -5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.522 -16.201 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.449 -18.146 -6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.732 -18.506 -5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.380 -18.590 -7.443 1.00 0.00 H new ATOM 528 N PHE A 40 12.851 -18.732 -7.390 1.00 0.00 N ATOM 529 CA PHE A 40 12.070 -19.892 -6.976 1.00 0.00 C ATOM 530 C PHE A 40 12.908 -21.165 -7.045 1.00 0.00 C ATOM 531 O PHE A 40 13.035 -21.781 -8.104 1.00 0.00 O ATOM 532 CB PHE A 40 10.827 -20.037 -7.857 1.00 0.00 C ATOM 533 CG PHE A 40 10.326 -18.733 -8.406 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.931 -17.713 -7.554 1.00 0.00 C ATOM 535 CD2 PHE A 40 10.247 -18.525 -9.774 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.469 -16.511 -8.056 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.786 -17.325 -10.281 1.00 0.00 C ATOM 538 CZ PHE A 40 9.396 -16.317 -9.421 1.00 0.00 C ATOM 0 H PHE A 40 13.424 -18.884 -8.220 1.00 0.00 H new ATOM 0 HA PHE A 40 11.759 -19.739 -5.943 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.055 -20.707 -8.686 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.033 -20.507 -7.277 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.985 -17.859 -6.485 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.549 -19.310 -10.452 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.165 -15.724 -7.381 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.731 -17.175 -11.349 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.035 -15.379 -9.816 1.00 0.00 H new ATOM 548 N HIS A 41 13.479 -21.552 -5.909 1.00 0.00 N ATOM 549 CA HIS A 41 14.306 -22.752 -5.840 1.00 0.00 C ATOM 550 C HIS A 41 13.757 -23.731 -4.806 1.00 0.00 C ATOM 551 O HIS A 41 13.477 -23.355 -3.668 1.00 0.00 O ATOM 552 CB HIS A 41 15.750 -22.383 -5.494 1.00 0.00 C ATOM 553 CG HIS A 41 15.873 -21.537 -4.264 1.00 0.00 C ATOM 554 ND1 HIS A 41 15.497 -21.971 -3.011 1.00 0.00 N ATOM 555 CD2 HIS A 41 16.337 -20.276 -4.101 1.00 0.00 C ATOM 556 CE1 HIS A 41 15.722 -21.013 -2.130 1.00 0.00 C ATOM 557 NE2 HIS A 41 16.231 -19.973 -2.765 1.00 0.00 N ATOM 0 H HIS A 41 13.385 -21.053 -5.024 1.00 0.00 H new ATOM 0 HA HIS A 41 14.286 -23.234 -6.818 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.327 -23.297 -5.355 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.193 -21.852 -6.336 1.00 0.00 H new ATOM 0 HD1 HIS A 41 15.106 -22.889 -2.797 1.00 0.00 H new ATOM 0 HD2 HIS A 41 16.719 -19.629 -4.876 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.523 -21.070 -1.070 1.00 0.00 H new ATOM 565 N ASP A 42 13.605 -24.987 -5.211 1.00 0.00 N ATOM 566 CA ASP A 42 13.090 -26.020 -4.319 1.00 0.00 C ATOM 567 C ASP A 42 11.740 -25.613 -3.739 1.00 0.00 C ATOM 568 O ASP A 42 11.458 -25.855 -2.566 1.00 0.00 O ATOM 569 CB ASP A 42 14.084 -26.291 -3.189 1.00 0.00 C ATOM 570 CG ASP A 42 15.509 -26.431 -3.691 1.00 0.00 C ATOM 571 OD1 ASP A 42 15.889 -25.678 -4.612 1.00 0.00 O ATOM 572 OD2 ASP A 42 16.242 -27.293 -3.164 1.00 0.00 O ATOM 0 H ASP A 42 13.831 -25.315 -6.150 1.00 0.00 H new ATOM 0 HA ASP A 42 12.955 -26.932 -4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.036 -25.478 -2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.795 -27.203 -2.666 1.00 0.00 H new ATOM 577 N ALA A 43 10.907 -24.992 -4.569 1.00 0.00 N ATOM 578 CA ALA A 43 9.587 -24.552 -4.139 1.00 0.00 C ATOM 579 C ALA A 43 9.688 -23.394 -3.152 1.00 0.00 C ATOM 580 O ALA A 43 8.688 -22.971 -2.570 1.00 0.00 O ATOM 581 CB ALA A 43 8.820 -25.711 -3.518 1.00 0.00 C ATOM 0 H ALA A 43 11.124 -24.783 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 43 9.045 -24.201 -5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.835 -25.367 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.707 -26.508 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.368 -26.089 -2.655 1.00 0.00 H new ATOM 587 N LEU A 44 10.901 -22.885 -2.967 1.00 0.00 N ATOM 588 CA LEU A 44 11.133 -21.775 -2.050 1.00 0.00 C ATOM 589 C LEU A 44 11.247 -20.456 -2.808 1.00 0.00 C ATOM 590 O LEU A 44 12.292 -20.143 -3.378 1.00 0.00 O ATOM 591 CB LEU A 44 12.406 -22.018 -1.235 1.00 0.00 C ATOM 592 CG LEU A 44 12.612 -23.445 -0.725 1.00 0.00 C ATOM 593 CD1 LEU A 44 14.046 -23.642 -0.259 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.636 -23.757 0.400 1.00 0.00 C ATOM 0 H LEU A 44 11.739 -23.223 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 44 10.281 -21.712 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.264 -21.745 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.400 -21.344 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 44 12.419 -24.135 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.175 -24.663 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.727 -23.462 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.266 -22.943 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.798 -24.777 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.796 -23.061 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.614 -23.657 0.034 1.00 0.00 H new ATOM 606 N LYS A 45 10.164 -19.686 -2.809 1.00 0.00 N ATOM 607 CA LYS A 45 10.142 -18.398 -3.494 1.00 0.00 C ATOM 608 C LYS A 45 10.750 -17.306 -2.619 1.00 0.00 C ATOM 609 O LYS A 45 10.260 -17.029 -1.526 1.00 0.00 O ATOM 610 CB LYS A 45 8.707 -18.024 -3.872 1.00 0.00 C ATOM 611 CG LYS A 45 8.007 -19.074 -4.717 1.00 0.00 C ATOM 612 CD LYS A 45 6.503 -18.854 -4.748 1.00 0.00 C ATOM 613 CE LYS A 45 5.762 -20.119 -5.152 1.00 0.00 C ATOM 614 NZ LYS A 45 5.773 -20.321 -6.627 1.00 0.00 N ATOM 0 H LYS A 45 9.290 -19.931 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 45 10.739 -18.486 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.131 -17.860 -2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.718 -17.080 -4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.401 -19.046 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.222 -20.066 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.162 -18.529 -3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.266 -18.053 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.220 -20.980 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.732 -20.064 -4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.258 -21.193 -6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.313 -19.512 -7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.755 -20.399 -6.959 1.00 0.00 H new ATOM 628 N GLY A 46 11.819 -16.689 -3.110 1.00 0.00 N ATOM 629 CA GLY A 46 12.476 -15.633 -2.361 1.00 0.00 C ATOM 630 C GLY A 46 13.095 -14.583 -3.261 1.00 0.00 C ATOM 631 O GLY A 46 12.587 -14.309 -4.348 1.00 0.00 O ATOM 0 H GLY A 46 12.243 -16.901 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.753 -15.158 -1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.250 -16.068 -1.729 1.00 0.00 H new ATOM 635 N TRP A 47 14.194 -13.992 -2.807 1.00 0.00 N ATOM 636 CA TRP A 47 14.884 -12.963 -3.579 1.00 0.00 C ATOM 637 C TRP A 47 16.396 -13.106 -3.449 1.00 0.00 C ATOM 638 O TRP A 47 16.899 -13.566 -2.425 1.00 0.00 O ATOM 639 CB TRP A 47 14.448 -11.572 -3.116 1.00 0.00 C ATOM 640 CG TRP A 47 12.969 -11.352 -3.203 1.00 0.00 C ATOM 641 CD1 TRP A 47 12.019 -11.814 -2.337 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.269 -10.618 -4.214 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.771 -11.410 -2.748 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.899 -10.675 -3.896 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.668 -9.916 -5.354 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.927 -10.057 -4.680 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.703 -9.304 -6.131 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.345 -9.377 -5.791 1.00 0.00 C ATOM 0 H TRP A 47 14.627 -14.207 -1.909 1.00 0.00 H new ATOM 0 HA TRP A 47 14.616 -13.090 -4.628 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.770 -11.423 -2.085 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.956 -10.820 -3.720 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.219 -12.409 -1.458 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.893 -11.623 -2.275 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.712 -9.853 -5.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.880 -10.113 -4.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 12.000 -8.760 -7.015 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.615 -8.887 -6.418 1.00 0.00 H new ATOM 659 N SER A 48 17.115 -12.710 -4.494 1.00 0.00 N ATOM 660 CA SER A 48 18.571 -12.797 -4.497 1.00 0.00 C ATOM 661 C SER A 48 19.188 -11.631 -3.731 1.00 0.00 C ATOM 662 O SER A 48 20.392 -11.388 -3.810 1.00 0.00 O ATOM 663 CB SER A 48 19.098 -12.815 -5.933 1.00 0.00 C ATOM 664 OG SER A 48 20.513 -12.913 -5.956 1.00 0.00 O ATOM 0 H SER A 48 16.714 -12.326 -5.349 1.00 0.00 H new ATOM 0 HA SER A 48 18.856 -13.725 -4.001 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.663 -13.656 -6.473 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.785 -11.908 -6.450 1.00 0.00 H new ATOM 0 HG SER A 48 20.887 -12.430 -5.189 1.00 0.00 H new ATOM 670 N CYS A 49 18.351 -10.910 -2.990 1.00 0.00 N ATOM 671 CA CYS A 49 18.812 -9.768 -2.210 1.00 0.00 C ATOM 672 C CYS A 49 19.021 -10.157 -0.749 1.00 0.00 C ATOM 673 O CYS A 49 20.034 -9.809 -0.141 1.00 0.00 O ATOM 674 CB CYS A 49 17.805 -8.620 -2.304 1.00 0.00 C ATOM 675 SG CYS A 49 16.080 -9.115 -1.984 1.00 0.00 S ATOM 0 H CYS A 49 17.351 -11.097 -2.914 1.00 0.00 H new ATOM 0 HA CYS A 49 19.767 -9.440 -2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.087 -7.844 -1.592 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.866 -8.178 -3.298 1.00 0.00 H new ATOM 0 HG CYS A 49 15.511 -8.234 -1.216 1.00 0.00 H new ATOM 680 N CYS A 50 18.056 -10.881 -0.191 1.00 0.00 N ATOM 681 CA CYS A 50 18.132 -11.317 1.198 1.00 0.00 C ATOM 682 C CYS A 50 18.115 -12.840 1.291 1.00 0.00 C ATOM 683 O CYS A 50 18.106 -13.536 0.275 1.00 0.00 O ATOM 684 CB CYS A 50 16.969 -10.733 2.002 1.00 0.00 C ATOM 685 SG CYS A 50 15.363 -10.798 1.143 1.00 0.00 S ATOM 0 H CYS A 50 17.212 -11.178 -0.680 1.00 0.00 H new ATOM 0 HA CYS A 50 19.071 -10.955 1.616 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.886 -11.273 2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.196 -9.695 2.247 1.00 0.00 H new ATOM 0 HG CYS A 50 15.467 -10.220 -0.017 1.00 0.00 H new ATOM 690 N LYS A 51 18.111 -13.352 2.517 1.00 0.00 N ATOM 691 CA LYS A 51 18.094 -14.792 2.745 1.00 0.00 C ATOM 692 C LYS A 51 16.664 -15.302 2.896 1.00 0.00 C ATOM 693 O LYS A 51 16.395 -16.487 2.699 1.00 0.00 O ATOM 694 CB LYS A 51 18.906 -15.141 3.994 1.00 0.00 C ATOM 695 CG LYS A 51 20.243 -14.425 4.070 1.00 0.00 C ATOM 696 CD LYS A 51 21.252 -15.213 4.889 1.00 0.00 C ATOM 697 CE LYS A 51 20.798 -15.371 6.332 1.00 0.00 C ATOM 698 NZ LYS A 51 21.119 -14.169 7.150 1.00 0.00 N ATOM 0 H LYS A 51 18.119 -12.791 3.369 1.00 0.00 H new ATOM 0 HA LYS A 51 18.545 -15.277 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.320 -14.893 4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.078 -16.217 4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.632 -14.270 3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.104 -13.439 4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.396 -16.197 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 51 22.217 -14.707 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.723 -15.550 6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.278 -16.247 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 20.793 -14.317 8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.147 -14.012 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.641 -13.338 6.748 1.00 0.00 H new ATOM 712 N ARG A 52 15.753 -14.401 3.247 1.00 0.00 N ATOM 713 CA ARG A 52 14.351 -14.760 3.424 1.00 0.00 C ATOM 714 C ARG A 52 13.889 -15.709 2.322 1.00 0.00 C ATOM 715 O ARG A 52 14.174 -15.492 1.144 1.00 0.00 O ATOM 716 CB ARG A 52 13.479 -13.504 3.430 1.00 0.00 C ATOM 717 CG ARG A 52 12.028 -13.772 3.799 1.00 0.00 C ATOM 718 CD ARG A 52 11.913 -14.420 5.170 1.00 0.00 C ATOM 719 NE ARG A 52 12.837 -13.829 6.134 1.00 0.00 N ATOM 720 CZ ARG A 52 13.199 -14.425 7.264 1.00 0.00 C ATOM 721 NH1 ARG A 52 12.719 -15.622 7.570 1.00 0.00 N ATOM 722 NH2 ARG A 52 14.045 -13.823 8.091 1.00 0.00 N ATOM 0 H ARG A 52 15.961 -13.416 3.415 1.00 0.00 H new ATOM 0 HA ARG A 52 14.250 -15.269 4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.897 -12.785 4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.515 -13.042 2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.470 -12.836 3.790 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.575 -14.421 3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.892 -14.315 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.113 -15.488 5.084 1.00 0.00 H new ATOM 0 HE ARG A 52 13.225 -12.909 5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.069 -16.088 6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.999 -16.077 8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.417 -12.902 7.859 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.323 -14.281 8.959 1.00 0.00 H new ATOM 736 N ARG A 53 13.178 -16.761 2.714 1.00 0.00 N ATOM 737 CA ARG A 53 12.679 -17.743 1.760 1.00 0.00 C ATOM 738 C ARG A 53 11.396 -18.394 2.270 1.00 0.00 C ATOM 739 O ARG A 53 11.362 -18.945 3.371 1.00 0.00 O ATOM 740 CB ARG A 53 13.738 -18.815 1.498 1.00 0.00 C ATOM 741 CG ARG A 53 13.688 -19.392 0.092 1.00 0.00 C ATOM 742 CD ARG A 53 14.535 -18.579 -0.874 1.00 0.00 C ATOM 743 NE ARG A 53 15.959 -18.667 -0.560 1.00 0.00 N ATOM 744 CZ ARG A 53 16.853 -17.761 -0.941 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.472 -16.705 -1.646 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.131 -17.910 -0.616 1.00 0.00 N ATOM 0 H ARG A 53 12.935 -16.955 3.685 1.00 0.00 H new ATOM 0 HA ARG A 53 12.457 -17.225 0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.726 -18.388 1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.610 -19.623 2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.041 -20.423 0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.656 -19.414 -0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.365 -18.933 -1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.220 -17.536 -0.843 1.00 0.00 H new ATOM 0 HE ARG A 53 16.285 -19.468 -0.019 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.491 -16.587 -1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.160 -16.011 -1.937 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.428 -18.721 -0.073 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.816 -17.214 -0.909 1.00 0.00 H new ATOM 760 N THR A 54 10.342 -18.326 1.463 1.00 0.00 N ATOM 761 CA THR A 54 9.058 -18.907 1.833 1.00 0.00 C ATOM 762 C THR A 54 8.448 -19.678 0.668 1.00 0.00 C ATOM 763 O THR A 54 8.596 -19.293 -0.492 1.00 0.00 O ATOM 764 CB THR A 54 8.064 -17.824 2.294 1.00 0.00 C ATOM 765 OG1 THR A 54 6.943 -18.433 2.943 1.00 0.00 O ATOM 766 CG2 THR A 54 7.584 -16.992 1.114 1.00 0.00 C ATOM 0 H THR A 54 10.353 -17.874 0.549 1.00 0.00 H new ATOM 0 HA THR A 54 9.247 -19.592 2.660 1.00 0.00 H new ATOM 0 HB THR A 54 8.577 -17.167 2.996 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.882 -18.107 3.865 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.883 -16.234 1.464 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.437 -16.506 0.640 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.087 -17.639 0.391 1.00 0.00 H new ATOM 774 N THR A 55 7.759 -20.770 0.985 1.00 0.00 N ATOM 775 CA THR A 55 7.125 -21.596 -0.036 1.00 0.00 C ATOM 776 C THR A 55 5.700 -21.131 -0.313 1.00 0.00 C ATOM 777 O THR A 55 5.170 -21.338 -1.405 1.00 0.00 O ATOM 778 CB THR A 55 7.097 -23.079 0.380 1.00 0.00 C ATOM 779 OG1 THR A 55 6.365 -23.232 1.601 1.00 0.00 O ATOM 780 CG2 THR A 55 8.509 -23.617 0.558 1.00 0.00 C ATOM 0 H THR A 55 7.626 -21.103 1.940 1.00 0.00 H new ATOM 0 HA THR A 55 7.721 -21.491 -0.943 1.00 0.00 H new ATOM 0 HB THR A 55 6.606 -23.646 -0.410 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.351 -24.178 1.857 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.464 -24.666 0.852 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.054 -23.526 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.021 -23.045 1.332 1.00 0.00 H new ATOM 788 N ASP A 56 5.083 -20.502 0.682 1.00 0.00 N ATOM 789 CA ASP A 56 3.719 -20.006 0.544 1.00 0.00 C ATOM 790 C ASP A 56 3.670 -18.804 -0.395 1.00 0.00 C ATOM 791 O ASP A 56 3.997 -17.683 -0.002 1.00 0.00 O ATOM 792 CB ASP A 56 3.153 -19.624 1.912 1.00 0.00 C ATOM 793 CG ASP A 56 1.666 -19.327 1.860 1.00 0.00 C ATOM 794 OD1 ASP A 56 1.016 -19.725 0.871 1.00 0.00 O ATOM 795 OD2 ASP A 56 1.154 -18.697 2.809 1.00 0.00 O ATOM 0 H ASP A 56 5.506 -20.324 1.593 1.00 0.00 H new ATOM 0 HA ASP A 56 3.110 -20.803 0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.334 -20.436 2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.682 -18.749 2.290 1.00 0.00 H new ATOM 800 N PHE A 57 3.262 -19.045 -1.636 1.00 0.00 N ATOM 801 CA PHE A 57 3.172 -17.983 -2.631 1.00 0.00 C ATOM 802 C PHE A 57 2.707 -16.678 -1.993 1.00 0.00 C ATOM 803 O PHE A 57 3.073 -15.591 -2.439 1.00 0.00 O ATOM 804 CB PHE A 57 2.214 -18.386 -3.753 1.00 0.00 C ATOM 805 CG PHE A 57 2.146 -17.387 -4.873 1.00 0.00 C ATOM 806 CD1 PHE A 57 3.278 -17.072 -5.607 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.951 -16.763 -5.191 1.00 0.00 C ATOM 808 CE1 PHE A 57 3.220 -16.152 -6.636 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.887 -15.842 -6.220 1.00 0.00 C ATOM 810 CZ PHE A 57 2.021 -15.538 -6.944 1.00 0.00 C ATOM 0 H PHE A 57 2.988 -19.967 -1.977 1.00 0.00 H new ATOM 0 HA PHE A 57 4.166 -17.827 -3.051 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.524 -19.350 -4.156 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.216 -18.521 -3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.217 -17.551 -5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.059 -16.999 -4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.110 -15.913 -7.199 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.050 -15.361 -6.457 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.972 -14.821 -7.750 1.00 0.00 H new ATOM 820 N SER A 58 1.894 -16.794 -0.947 1.00 0.00 N ATOM 821 CA SER A 58 1.374 -15.624 -0.250 1.00 0.00 C ATOM 822 C SER A 58 2.474 -14.936 0.553 1.00 0.00 C ATOM 823 O SER A 58 2.642 -13.719 0.479 1.00 0.00 O ATOM 824 CB SER A 58 0.225 -16.026 0.678 1.00 0.00 C ATOM 825 OG SER A 58 -0.501 -14.890 1.112 1.00 0.00 O ATOM 0 H SER A 58 1.582 -17.686 -0.564 1.00 0.00 H new ATOM 0 HA SER A 58 1.001 -14.923 -0.997 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.444 -16.712 0.158 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.621 -16.560 1.542 1.00 0.00 H new ATOM 0 HG SER A 58 -1.230 -15.174 1.702 1.00 0.00 H new ATOM 831 N ASP A 59 3.219 -15.724 1.319 1.00 0.00 N ATOM 832 CA ASP A 59 4.304 -15.193 2.135 1.00 0.00 C ATOM 833 C ASP A 59 5.370 -14.536 1.263 1.00 0.00 C ATOM 834 O ASP A 59 5.919 -13.493 1.616 1.00 0.00 O ATOM 835 CB ASP A 59 4.931 -16.306 2.976 1.00 0.00 C ATOM 836 CG ASP A 59 3.977 -16.847 4.023 1.00 0.00 C ATOM 837 OD1 ASP A 59 2.812 -16.399 4.052 1.00 0.00 O ATOM 838 OD2 ASP A 59 4.396 -17.718 4.814 1.00 0.00 O ATOM 0 H ASP A 59 3.092 -16.733 1.392 1.00 0.00 H new ATOM 0 HA ASP A 59 3.887 -14.436 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.246 -17.118 2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.827 -15.926 3.467 1.00 0.00 H new ATOM 843 N PHE A 60 5.658 -15.155 0.123 1.00 0.00 N ATOM 844 CA PHE A 60 6.660 -14.633 -0.800 1.00 0.00 C ATOM 845 C PHE A 60 6.352 -13.185 -1.171 1.00 0.00 C ATOM 846 O PHE A 60 7.255 -12.353 -1.273 1.00 0.00 O ATOM 847 CB PHE A 60 6.719 -15.494 -2.063 1.00 0.00 C ATOM 848 CG PHE A 60 7.207 -14.750 -3.273 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.562 -14.546 -3.476 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.312 -14.256 -4.208 1.00 0.00 C ATOM 851 CE1 PHE A 60 9.016 -13.862 -4.588 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.759 -13.571 -5.322 1.00 0.00 C ATOM 853 CZ PHE A 60 8.113 -13.375 -5.513 1.00 0.00 C ATOM 0 H PHE A 60 5.212 -16.019 -0.184 1.00 0.00 H new ATOM 0 HA PHE A 60 7.629 -14.665 -0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.374 -16.346 -1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.726 -15.893 -2.268 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.272 -14.926 -2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.252 -14.408 -4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.075 -13.709 -4.733 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.051 -13.189 -6.042 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.465 -12.842 -6.384 1.00 0.00 H new ATOM 863 N LEU A 61 5.073 -12.891 -1.374 1.00 0.00 N ATOM 864 CA LEU A 61 4.646 -11.543 -1.736 1.00 0.00 C ATOM 865 C LEU A 61 4.536 -10.657 -0.499 1.00 0.00 C ATOM 866 O LEU A 61 4.245 -9.465 -0.601 1.00 0.00 O ATOM 867 CB LEU A 61 3.301 -11.592 -2.463 1.00 0.00 C ATOM 868 CG LEU A 61 3.229 -12.514 -3.681 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.792 -12.670 -4.148 1.00 0.00 C ATOM 870 CD2 LEU A 61 4.103 -11.981 -4.806 1.00 0.00 C ATOM 0 H LEU A 61 4.313 -13.567 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 61 5.397 -11.116 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.537 -11.904 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.046 -10.581 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 61 3.603 -13.496 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.761 -13.329 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.193 -13.099 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.390 -11.694 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.039 -12.650 -5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.760 -10.987 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.137 -11.923 -4.467 1.00 0.00 H new ATOM 882 N SER A 62 4.773 -11.247 0.668 1.00 0.00 N ATOM 883 CA SER A 62 4.700 -10.511 1.925 1.00 0.00 C ATOM 884 C SER A 62 6.095 -10.210 2.461 1.00 0.00 C ATOM 885 O SER A 62 6.304 -9.217 3.160 1.00 0.00 O ATOM 886 CB SER A 62 3.905 -11.308 2.961 1.00 0.00 C ATOM 887 OG SER A 62 3.309 -10.448 3.918 1.00 0.00 O ATOM 0 H SER A 62 5.017 -12.232 0.769 1.00 0.00 H new ATOM 0 HA SER A 62 4.192 -9.566 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.132 -11.892 2.461 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.564 -12.016 3.464 1.00 0.00 H new ATOM 0 HG SER A 62 2.805 -10.981 4.568 1.00 0.00 H new ATOM 893 N ILE A 63 7.049 -11.074 2.129 1.00 0.00 N ATOM 894 CA ILE A 63 8.425 -10.900 2.575 1.00 0.00 C ATOM 895 C ILE A 63 8.795 -9.423 2.657 1.00 0.00 C ATOM 896 O ILE A 63 8.986 -8.762 1.636 1.00 0.00 O ATOM 897 CB ILE A 63 9.415 -11.614 1.636 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.214 -13.129 1.704 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.847 -11.248 1.999 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.802 -13.871 0.524 1.00 0.00 C ATOM 0 H ILE A 63 6.894 -11.901 1.553 1.00 0.00 H new ATOM 0 HA ILE A 63 8.493 -11.344 3.568 1.00 0.00 H new ATOM 0 HB ILE A 63 9.224 -11.286 0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.666 -13.506 2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.147 -13.343 1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.535 -11.760 1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.982 -10.171 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.051 -11.551 3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.622 -14.940 0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.333 -13.522 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.875 -13.687 0.477 1.00 0.00 H new ATOM 912 N VAL A 64 8.896 -8.911 3.880 1.00 0.00 N ATOM 913 CA VAL A 64 9.245 -7.512 4.096 1.00 0.00 C ATOM 914 C VAL A 64 10.597 -7.181 3.476 1.00 0.00 C ATOM 915 O VAL A 64 11.567 -7.920 3.644 1.00 0.00 O ATOM 916 CB VAL A 64 9.283 -7.169 5.597 1.00 0.00 C ATOM 917 CG1 VAL A 64 9.885 -8.317 6.392 1.00 0.00 C ATOM 918 CG2 VAL A 64 10.061 -5.882 5.829 1.00 0.00 C ATOM 0 H VAL A 64 8.741 -9.444 4.736 1.00 0.00 H new ATOM 0 HA VAL A 64 8.472 -6.914 3.614 1.00 0.00 H new ATOM 0 HB VAL A 64 8.261 -7.016 5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.904 -8.056 7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.282 -9.214 6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.902 -8.505 6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.078 -5.654 6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.082 -6.004 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.581 -5.065 5.291 1.00 0.00 H new ATOM 928 N GLY A 65 10.656 -6.064 2.757 1.00 0.00 N ATOM 929 CA GLY A 65 11.896 -5.654 2.122 1.00 0.00 C ATOM 930 C GLY A 65 13.090 -5.778 3.048 1.00 0.00 C ATOM 931 O GLY A 65 12.973 -5.568 4.255 1.00 0.00 O ATOM 0 H GLY A 65 9.868 -5.436 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 65 12.064 -6.263 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.805 -4.621 1.788 1.00 0.00 H new ATOM 935 N CYS A 66 14.241 -6.123 2.481 1.00 0.00 N ATOM 936 CA CYS A 66 15.462 -6.277 3.263 1.00 0.00 C ATOM 937 C CYS A 66 16.326 -5.022 3.178 1.00 0.00 C ATOM 938 O CYS A 66 17.247 -4.832 3.972 1.00 0.00 O ATOM 939 CB CYS A 66 16.257 -7.490 2.773 1.00 0.00 C ATOM 940 SG CYS A 66 16.792 -7.375 1.035 1.00 0.00 S ATOM 0 H CYS A 66 14.354 -6.301 1.483 1.00 0.00 H new ATOM 0 HA CYS A 66 15.179 -6.432 4.304 1.00 0.00 H new ATOM 0 HB2 CYS A 66 17.136 -7.614 3.405 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.647 -8.385 2.896 1.00 0.00 H new ATOM 0 HG CYS A 66 16.474 -8.470 0.410 1.00 0.00 H new ATOM 945 N THR A 67 16.020 -4.165 2.208 1.00 0.00 N ATOM 946 CA THR A 67 16.767 -2.928 2.017 1.00 0.00 C ATOM 947 C THR A 67 15.952 -1.720 2.465 1.00 0.00 C ATOM 948 O THR A 67 14.733 -1.801 2.617 1.00 0.00 O ATOM 949 CB THR A 67 17.175 -2.740 0.544 1.00 0.00 C ATOM 950 OG1 THR A 67 18.021 -3.819 0.128 1.00 0.00 O ATOM 951 CG2 THR A 67 17.900 -1.417 0.348 1.00 0.00 C ATOM 0 H THR A 67 15.260 -4.305 1.543 1.00 0.00 H new ATOM 0 HA THR A 67 17.666 -3.004 2.628 1.00 0.00 H new ATOM 0 HB THR A 67 16.269 -2.734 -0.063 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.933 -3.487 -0.006 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.178 -1.306 -0.700 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.244 -0.596 0.638 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.798 -1.399 0.966 1.00 0.00 H new ATOM 959 N LYS A 68 16.633 -0.598 2.674 1.00 0.00 N ATOM 960 CA LYS A 68 15.974 0.629 3.103 1.00 0.00 C ATOM 961 C LYS A 68 16.314 1.785 2.168 1.00 0.00 C ATOM 962 O LYS A 68 17.438 1.890 1.678 1.00 0.00 O ATOM 963 CB LYS A 68 16.385 0.980 4.535 1.00 0.00 C ATOM 964 CG LYS A 68 15.592 0.235 5.595 1.00 0.00 C ATOM 965 CD LYS A 68 14.340 0.998 5.993 1.00 0.00 C ATOM 966 CE LYS A 68 13.569 0.272 7.085 1.00 0.00 C ATOM 967 NZ LYS A 68 14.061 0.632 8.444 1.00 0.00 N ATOM 0 H LYS A 68 17.642 -0.514 2.553 1.00 0.00 H new ATOM 0 HA LYS A 68 14.897 0.463 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.445 0.760 4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.261 2.052 4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.315 -0.750 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.217 0.076 6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.615 1.994 6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.700 1.130 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.510 0.516 7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.659 -0.804 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.510 0.117 9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.065 0.376 8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.951 1.655 8.593 1.00 0.00 H new ATOM 981 N GLY A 69 15.335 2.652 1.925 1.00 0.00 N ATOM 982 CA GLY A 69 15.552 3.789 1.050 1.00 0.00 C ATOM 983 C GLY A 69 14.319 4.662 0.918 1.00 0.00 C ATOM 984 O GLY A 69 13.469 4.684 1.807 1.00 0.00 O ATOM 0 H GLY A 69 14.396 2.587 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.378 4.387 1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.849 3.433 0.063 1.00 0.00 H new ATOM 988 N ARG A 70 14.224 5.383 -0.194 1.00 0.00 N ATOM 989 CA ARG A 70 13.089 6.263 -0.439 1.00 0.00 C ATOM 990 C ARG A 70 12.129 5.646 -1.453 1.00 0.00 C ATOM 991 O ARG A 70 12.538 5.240 -2.542 1.00 0.00 O ATOM 992 CB ARG A 70 13.569 7.626 -0.941 1.00 0.00 C ATOM 993 CG ARG A 70 14.745 8.184 -0.155 1.00 0.00 C ATOM 994 CD ARG A 70 15.042 9.623 -0.544 1.00 0.00 C ATOM 995 NE ARG A 70 15.820 9.708 -1.777 1.00 0.00 N ATOM 996 CZ ARG A 70 15.896 10.803 -2.525 1.00 0.00 C ATOM 997 NH1 ARG A 70 15.245 11.901 -2.166 1.00 0.00 N ATOM 998 NH2 ARG A 70 16.625 10.802 -3.634 1.00 0.00 N ATOM 0 H ARG A 70 14.920 5.375 -0.940 1.00 0.00 H new ATOM 0 HA ARG A 70 12.558 6.397 0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.852 7.538 -1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.742 8.334 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.529 8.132 0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.627 7.569 -0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.105 10.165 -0.669 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.588 10.111 0.263 1.00 0.00 H new ATOM 0 HE ARG A 70 16.333 8.881 -2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.684 11.906 -1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.305 12.741 -2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.128 9.960 -3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.682 11.644 -4.207 1.00 0.00 H new ATOM 1012 N HIS A 71 10.854 5.576 -1.087 1.00 0.00 N ATOM 1013 CA HIS A 71 9.837 5.008 -1.965 1.00 0.00 C ATOM 1014 C HIS A 71 10.017 5.503 -3.397 1.00 0.00 C ATOM 1015 O HIS A 71 10.240 6.690 -3.629 1.00 0.00 O ATOM 1016 CB HIS A 71 8.438 5.367 -1.460 1.00 0.00 C ATOM 1017 CG HIS A 71 8.146 4.848 -0.086 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.545 3.629 0.146 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.377 5.391 1.133 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.418 3.445 1.448 1.00 0.00 C ATOM 1021 NE2 HIS A 71 7.915 4.499 2.069 1.00 0.00 N ATOM 0 H HIS A 71 10.500 5.905 -0.189 1.00 0.00 H new ATOM 0 HA HIS A 71 9.950 3.924 -1.957 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.328 6.451 -1.461 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.697 4.970 -2.154 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.838 6.347 1.332 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.982 2.579 1.924 1.00 0.00 H new ATOM 0 HE2 HIS A 71 7.950 4.629 3.080 1.00 0.00 H new ATOM 1029 N ASN A 72 9.917 4.584 -4.352 1.00 0.00 N ATOM 1030 CA ASN A 72 10.070 4.928 -5.761 1.00 0.00 C ATOM 1031 C ASN A 72 8.735 5.353 -6.366 1.00 0.00 C ATOM 1032 O ASN A 72 7.892 4.515 -6.687 1.00 0.00 O ATOM 1033 CB ASN A 72 10.639 3.739 -6.538 1.00 0.00 C ATOM 1034 CG ASN A 72 12.151 3.664 -6.455 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.768 4.294 -5.597 1.00 0.00 O ATOM 1036 ND2 ASN A 72 12.755 2.889 -7.349 1.00 0.00 N ATOM 0 H ASN A 72 9.731 3.597 -4.176 1.00 0.00 H new ATOM 0 HA ASN A 72 10.764 5.766 -5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.210 2.816 -6.149 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.339 3.814 -7.583 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.771 2.798 -7.342 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.203 2.385 -8.043 1.00 0.00 H new ATOM 1043 N SER A 73 8.551 6.661 -6.518 1.00 0.00 N ATOM 1044 CA SER A 73 7.318 7.198 -7.081 1.00 0.00 C ATOM 1045 C SER A 73 7.278 6.997 -8.593 1.00 0.00 C ATOM 1046 O SER A 73 6.318 7.387 -9.256 1.00 0.00 O ATOM 1047 CB SER A 73 7.186 8.686 -6.749 1.00 0.00 C ATOM 1048 OG SER A 73 8.425 9.355 -6.909 1.00 0.00 O ATOM 0 H SER A 73 9.240 7.368 -6.259 1.00 0.00 H new ATOM 0 HA SER A 73 6.481 6.659 -6.638 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.437 9.141 -7.397 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.835 8.804 -5.724 1.00 0.00 H new ATOM 0 HG SER A 73 8.314 10.304 -6.693 1.00 0.00 H new ATOM 1054 N GLU A 74 8.330 6.386 -9.130 1.00 0.00 N ATOM 1055 CA GLU A 74 8.415 6.135 -10.564 1.00 0.00 C ATOM 1056 C GLU A 74 8.650 4.653 -10.843 1.00 0.00 C ATOM 1057 O GLU A 74 9.165 3.923 -9.995 1.00 0.00 O ATOM 1058 CB GLU A 74 9.540 6.966 -11.184 1.00 0.00 C ATOM 1059 CG GLU A 74 9.125 8.385 -11.537 1.00 0.00 C ATOM 1060 CD GLU A 74 8.016 8.427 -12.571 1.00 0.00 C ATOM 1061 OE1 GLU A 74 8.261 8.005 -13.721 1.00 0.00 O ATOM 1062 OE2 GLU A 74 6.903 8.882 -12.232 1.00 0.00 O ATOM 0 H GLU A 74 9.133 6.056 -8.595 1.00 0.00 H new ATOM 0 HA GLU A 74 7.467 6.427 -11.015 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.378 7.004 -10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.896 6.466 -12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.795 8.899 -10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.990 8.930 -11.915 1.00 0.00 H new ATOM 1069 N LYS A 75 8.271 4.214 -12.038 1.00 0.00 N ATOM 1070 CA LYS A 75 8.439 2.821 -12.432 1.00 0.00 C ATOM 1071 C LYS A 75 9.828 2.585 -13.016 1.00 0.00 C ATOM 1072 O LYS A 75 9.969 2.554 -14.238 1.00 0.00 O ATOM 1073 CB LYS A 75 7.370 2.425 -13.453 1.00 0.00 C ATOM 1074 CG LYS A 75 5.967 2.374 -12.876 1.00 0.00 C ATOM 1075 CD LYS A 75 4.915 2.623 -13.945 1.00 0.00 C ATOM 1076 CE LYS A 75 4.485 1.327 -14.615 1.00 0.00 C ATOM 1077 NZ LYS A 75 3.908 1.566 -15.967 1.00 0.00 N ATOM 0 H LYS A 75 7.844 4.805 -12.752 1.00 0.00 H new ATOM 0 HA LYS A 75 8.328 2.202 -11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.388 3.135 -14.279 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.619 1.448 -13.867 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.797 1.400 -12.416 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.870 3.120 -12.087 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.047 3.108 -13.497 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.311 3.308 -14.695 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.343 0.660 -14.699 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.748 0.822 -13.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.627 0.658 -16.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.074 2.182 -15.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.619 2.025 -16.572 1.00 0.00 H new