USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 636 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= -0.0409 USER MOD Set 2.1: A 54 SER OG : rot 149:sc=0.000652 USER MOD Set 2.2: A 65 GLN : amide:sc= 0.00101 K(o=0.0017,f=-1.3) USER MOD Set 3.1: A 30 CYS SG : rot 121:sc= 0.62! USER MOD Set 3.2: A 62 CYS SG : rot 122:sc= -0.141 USER MOD Set 3.3: A 79 CYS SG : rot -112:sc= 0.564 USER MOD Set 4.1: A 9 SER OG : rot -168:sc= 1.21 USER MOD Set 4.2: A 81 CYS SG : rot -12:sc= -0.724 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.168 K(o=0.17,f=-5.3!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.449 USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= -1.36 (180deg=-2.34!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.966 X(o=-0.97,f=-0.55) USER MOD Single : A 57 GLN : amide:sc= -3.45! C(o=-3.5!,f=-11!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -40:sc= -0.6 USER MOD Single : A 83 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.94) USER MOD Single : A 86 THR OG1 : rot 140:sc= -0.206 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 9 -1.812 20.868 0.121 1.00 0.00 N ATOM 81 CA SER A 9 -1.269 19.575 0.520 1.00 0.00 C ATOM 82 C SER A 9 -0.666 18.847 -0.678 1.00 0.00 C ATOM 83 O SER A 9 -1.377 18.453 -1.603 1.00 0.00 O ATOM 84 CB SER A 9 -2.361 18.714 1.158 1.00 0.00 C ATOM 85 OG SER A 9 -3.320 18.312 0.196 1.00 0.00 O ATOM 0 HA SER A 9 -0.481 19.750 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.912 17.834 1.618 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.852 19.274 1.954 1.00 0.00 H new ATOM 0 HG SER A 9 -4.102 17.935 0.651 1.00 0.00 H new ATOM 91 N LYS A 10 0.651 18.671 -0.654 1.00 0.00 N ATOM 92 CA LYS A 10 1.352 17.990 -1.736 1.00 0.00 C ATOM 93 C LYS A 10 2.162 16.813 -1.202 1.00 0.00 C ATOM 94 O LYS A 10 2.872 16.937 -0.204 1.00 0.00 O ATOM 95 CB LYS A 10 2.274 18.967 -2.469 1.00 0.00 C ATOM 96 CG LYS A 10 1.539 20.131 -3.112 1.00 0.00 C ATOM 97 CD LYS A 10 2.487 21.028 -3.889 1.00 0.00 C ATOM 98 CE LYS A 10 3.082 22.112 -3.003 1.00 0.00 C ATOM 99 NZ LYS A 10 3.545 23.284 -3.796 1.00 0.00 N ATOM 0 H LYS A 10 1.255 18.991 0.104 1.00 0.00 H new ATOM 0 HA LYS A 10 0.608 17.609 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.010 19.357 -1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.825 18.426 -3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.767 19.750 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.034 20.714 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.289 20.427 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.954 21.489 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.337 22.437 -2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.920 21.701 -2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.944 24.000 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.274 22.979 -4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.741 23.692 -4.314 1.00 0.00 H new ATOM 113 N PHE A 11 2.052 15.672 -1.874 1.00 0.00 N ATOM 114 CA PHE A 11 2.775 14.472 -1.467 1.00 0.00 C ATOM 115 C PHE A 11 4.280 14.661 -1.636 1.00 0.00 C ATOM 116 O PHE A 11 4.754 15.019 -2.715 1.00 0.00 O ATOM 117 CB PHE A 11 2.306 13.267 -2.285 1.00 0.00 C ATOM 118 CG PHE A 11 0.879 12.881 -2.020 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.522 12.268 -0.829 1.00 0.00 C ATOM 120 CD2 PHE A 11 -0.106 13.132 -2.961 1.00 0.00 C ATOM 121 CE1 PHE A 11 -0.790 11.913 -0.582 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.421 12.779 -2.720 1.00 0.00 C ATOM 123 CZ PHE A 11 -1.763 12.168 -1.529 1.00 0.00 C ATOM 0 H PHE A 11 1.469 15.553 -2.703 1.00 0.00 H new ATOM 0 HA PHE A 11 2.565 14.291 -0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.423 13.490 -3.345 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.951 12.416 -2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.279 12.066 -0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.156 13.609 -3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.055 11.437 0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.180 12.981 -3.462 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.789 11.890 -1.339 1.00 0.00 H new ATOM 133 N ILE A 12 5.024 14.419 -0.563 1.00 0.00 N ATOM 134 CA ILE A 12 6.475 14.561 -0.591 1.00 0.00 C ATOM 135 C ILE A 12 7.147 13.257 -1.005 1.00 0.00 C ATOM 136 O ILE A 12 7.933 13.226 -1.952 1.00 0.00 O ATOM 137 CB ILE A 12 7.025 14.997 0.780 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.990 15.843 1.523 1.00 0.00 C ATOM 139 CG2 ILE A 12 8.324 15.770 0.608 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.457 17.000 0.707 1.00 0.00 C ATOM 0 H ILE A 12 4.646 14.124 0.337 1.00 0.00 H new ATOM 0 HA ILE A 12 6.702 15.333 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 12 7.231 14.106 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.158 15.205 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.438 16.230 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.700 16.071 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.062 15.137 0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.142 16.656 0.000 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.728 17.556 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.279 17.660 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.979 16.619 -0.195 1.00 0.00 H new ATOM 152 N GLU A 13 6.832 12.181 -0.290 1.00 0.00 N ATOM 153 CA GLU A 13 7.405 10.874 -0.584 1.00 0.00 C ATOM 154 C GLU A 13 6.559 10.127 -1.612 1.00 0.00 C ATOM 155 O GLU A 13 7.083 9.384 -2.441 1.00 0.00 O ATOM 156 CB GLU A 13 7.522 10.043 0.696 1.00 0.00 C ATOM 157 CG GLU A 13 8.832 10.248 1.437 1.00 0.00 C ATOM 158 CD GLU A 13 10.041 10.123 0.530 1.00 0.00 C ATOM 159 OE1 GLU A 13 10.012 9.269 -0.381 1.00 0.00 O ATOM 160 OE2 GLU A 13 11.015 10.878 0.731 1.00 0.00 O ATOM 0 H GLU A 13 6.183 12.190 0.497 1.00 0.00 H new ATOM 0 HA GLU A 13 8.400 11.029 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.695 10.296 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.418 8.987 0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.832 11.234 1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.909 9.516 2.241 1.00 0.00 H new ATOM 167 N GLY A 14 5.247 10.332 -1.551 1.00 0.00 N ATOM 168 CA GLY A 14 4.349 9.672 -2.481 1.00 0.00 C ATOM 169 C GLY A 14 4.238 8.183 -2.221 1.00 0.00 C ATOM 170 O GLY A 14 5.054 7.608 -1.499 1.00 0.00 O ATOM 0 H GLY A 14 4.790 10.943 -0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.360 10.125 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.702 9.835 -3.499 1.00 0.00 H new ATOM 174 N LEU A 15 3.225 7.555 -2.808 1.00 0.00 N ATOM 175 CA LEU A 15 3.008 6.123 -2.635 1.00 0.00 C ATOM 176 C LEU A 15 3.934 5.319 -3.541 1.00 0.00 C ATOM 177 O LEU A 15 4.160 5.683 -4.696 1.00 0.00 O ATOM 178 CB LEU A 15 1.550 5.769 -2.933 1.00 0.00 C ATOM 179 CG LEU A 15 0.522 6.232 -1.901 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.891 5.993 -2.410 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.740 5.520 -0.574 1.00 0.00 C ATOM 0 H LEU A 15 2.541 8.015 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 15 3.233 5.869 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.283 6.197 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.473 4.686 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 15 0.653 7.302 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.609 6.329 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.044 6.549 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.035 4.929 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.001 5.862 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.637 4.444 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.740 5.743 -0.202 1.00 0.00 H new ATOM 193 N ARG A 16 4.466 4.223 -3.011 1.00 0.00 N ATOM 194 CA ARG A 16 5.368 3.366 -3.772 1.00 0.00 C ATOM 195 C ARG A 16 4.799 1.955 -3.899 1.00 0.00 C ATOM 196 O ARG A 16 3.979 1.531 -3.086 1.00 0.00 O ATOM 197 CB ARG A 16 6.743 3.315 -3.105 1.00 0.00 C ATOM 198 CG ARG A 16 6.738 2.625 -1.751 1.00 0.00 C ATOM 199 CD ARG A 16 7.944 3.027 -0.916 1.00 0.00 C ATOM 200 NE ARG A 16 7.687 2.894 0.516 1.00 0.00 N ATOM 201 CZ ARG A 16 7.821 1.753 1.183 1.00 0.00 C ATOM 202 NH1 ARG A 16 8.208 0.653 0.552 1.00 0.00 N ATOM 203 NH2 ARG A 16 7.569 1.712 2.485 1.00 0.00 N ATOM 0 H ARG A 16 4.288 3.907 -2.058 1.00 0.00 H new ATOM 0 HA ARG A 16 5.473 3.789 -4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.439 2.796 -3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.117 4.332 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.823 2.878 -1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.736 1.544 -1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.798 2.407 -1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.214 4.059 -1.142 1.00 0.00 H new ATOM 0 HE ARG A 16 7.389 3.722 1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.404 0.681 -0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.310 -0.221 1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.272 2.557 2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.672 0.836 2.997 1.00 0.00 H new ATOM 217 N ASN A 17 5.242 1.234 -4.924 1.00 0.00 N ATOM 218 CA ASN A 17 4.777 -0.128 -5.157 1.00 0.00 C ATOM 219 C ASN A 17 4.908 -0.972 -3.893 1.00 0.00 C ATOM 220 O ASN A 17 6.015 -1.308 -3.472 1.00 0.00 O ATOM 221 CB ASN A 17 5.568 -0.771 -6.298 1.00 0.00 C ATOM 222 CG ASN A 17 5.506 0.043 -7.575 1.00 0.00 C ATOM 223 OD1 ASN A 17 5.647 1.266 -7.553 1.00 0.00 O ATOM 224 ND2 ASN A 17 5.294 -0.633 -8.698 1.00 0.00 N ATOM 0 H ASN A 17 5.922 1.570 -5.606 1.00 0.00 H new ATOM 0 HA ASN A 17 3.724 -0.083 -5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.608 -0.887 -5.995 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.178 -1.771 -6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.242 -0.139 -9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.183 -1.647 -8.670 1.00 0.00 H new ATOM 231 N GLU A 18 3.771 -1.311 -3.293 1.00 0.00 N ATOM 232 CA GLU A 18 3.760 -2.115 -2.077 1.00 0.00 C ATOM 233 C GLU A 18 3.542 -3.590 -2.402 1.00 0.00 C ATOM 234 O GLU A 18 2.451 -3.993 -2.803 1.00 0.00 O ATOM 235 CB GLU A 18 2.668 -1.625 -1.124 1.00 0.00 C ATOM 236 CG GLU A 18 2.798 -2.174 0.286 1.00 0.00 C ATOM 237 CD GLU A 18 3.845 -1.442 1.103 1.00 0.00 C ATOM 238 OE1 GLU A 18 3.729 -0.207 1.247 1.00 0.00 O ATOM 239 OE2 GLU A 18 4.782 -2.104 1.597 1.00 0.00 O ATOM 0 H GLU A 18 2.846 -1.041 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 18 4.730 -2.007 -1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.694 -0.536 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.694 -1.906 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.834 -2.103 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.055 -3.232 0.238 1.00 0.00 H new ATOM 246 N GLU A 19 4.590 -4.390 -2.226 1.00 0.00 N ATOM 247 CA GLU A 19 4.513 -5.820 -2.502 1.00 0.00 C ATOM 248 C GLU A 19 4.494 -6.624 -1.206 1.00 0.00 C ATOM 249 O GLU A 19 5.465 -6.629 -0.451 1.00 0.00 O ATOM 250 CB GLU A 19 5.695 -6.258 -3.369 1.00 0.00 C ATOM 251 CG GLU A 19 5.830 -7.766 -3.497 1.00 0.00 C ATOM 252 CD GLU A 19 7.031 -8.177 -4.326 1.00 0.00 C ATOM 253 OE1 GLU A 19 6.914 -8.199 -5.570 1.00 0.00 O ATOM 254 OE2 GLU A 19 8.088 -8.476 -3.733 1.00 0.00 O ATOM 0 H GLU A 19 5.501 -4.072 -1.894 1.00 0.00 H new ATOM 0 HA GLU A 19 3.585 -6.011 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.585 -5.826 -4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.615 -5.854 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.912 -8.205 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.925 -8.171 -3.950 1.00 0.00 H new ATOM 261 N ALA A 20 3.379 -7.303 -0.954 1.00 0.00 N ATOM 262 CA ALA A 20 3.232 -8.112 0.250 1.00 0.00 C ATOM 263 C ALA A 20 2.834 -9.543 -0.096 1.00 0.00 C ATOM 264 O ALA A 20 2.722 -9.902 -1.268 1.00 0.00 O ATOM 265 CB ALA A 20 2.207 -7.487 1.184 1.00 0.00 C ATOM 0 H ALA A 20 2.564 -7.309 -1.568 1.00 0.00 H new ATOM 0 HA ALA A 20 4.196 -8.144 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.108 -8.102 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.534 -6.486 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.244 -7.425 0.678 1.00 0.00 H new ATOM 271 N THR A 21 2.621 -10.358 0.933 1.00 0.00 N ATOM 272 CA THR A 21 2.237 -11.750 0.738 1.00 0.00 C ATOM 273 C THR A 21 0.779 -11.977 1.121 1.00 0.00 C ATOM 274 O THR A 21 0.308 -11.465 2.136 1.00 0.00 O ATOM 275 CB THR A 21 3.126 -12.699 1.564 1.00 0.00 C ATOM 276 OG1 THR A 21 4.499 -12.532 1.192 1.00 0.00 O ATOM 277 CG2 THR A 21 2.712 -14.148 1.356 1.00 0.00 C ATOM 0 H THR A 21 2.708 -10.077 1.910 1.00 0.00 H new ATOM 0 HA THR A 21 2.370 -11.969 -0.321 1.00 0.00 H new ATOM 0 HB THR A 21 3.002 -12.451 2.618 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.058 -13.137 1.723 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.354 -14.799 1.949 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.676 -14.279 1.668 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.809 -14.406 0.302 1.00 0.00 H new ATOM 285 N GLU A 22 0.070 -12.748 0.302 1.00 0.00 N ATOM 286 CA GLU A 22 -1.335 -13.041 0.556 1.00 0.00 C ATOM 287 C GLU A 22 -1.562 -13.385 2.025 1.00 0.00 C ATOM 288 O GLU A 22 -0.674 -13.908 2.696 1.00 0.00 O ATOM 289 CB GLU A 22 -1.805 -14.198 -0.328 1.00 0.00 C ATOM 290 CG GLU A 22 -3.303 -14.445 -0.262 1.00 0.00 C ATOM 291 CD GLU A 22 -3.716 -15.718 -0.975 1.00 0.00 C ATOM 292 OE1 GLU A 22 -3.957 -15.663 -2.199 1.00 0.00 O ATOM 293 OE2 GLU A 22 -3.799 -16.771 -0.307 1.00 0.00 O ATOM 0 H GLU A 22 0.446 -13.180 -0.542 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.915 -12.150 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.524 -13.992 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.282 -15.107 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.613 -14.501 0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.827 -13.598 -0.705 1.00 0.00 H new ATOM 300 N GLY A 23 -2.760 -13.085 2.519 1.00 0.00 N ATOM 301 CA GLY A 23 -3.083 -13.368 3.905 1.00 0.00 C ATOM 302 C GLY A 23 -2.702 -12.231 4.833 1.00 0.00 C ATOM 303 O GLY A 23 -3.512 -11.789 5.648 1.00 0.00 O ATOM 0 H GLY A 23 -3.512 -12.651 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.152 -13.562 3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.567 -14.276 4.217 1.00 0.00 H new ATOM 307 N ASP A 24 -1.468 -11.757 4.710 1.00 0.00 N ATOM 308 CA ASP A 24 -0.981 -10.665 5.545 1.00 0.00 C ATOM 309 C ASP A 24 -1.841 -9.418 5.364 1.00 0.00 C ATOM 310 O ASP A 24 -2.844 -9.440 4.649 1.00 0.00 O ATOM 311 CB ASP A 24 0.477 -10.348 5.207 1.00 0.00 C ATOM 312 CG ASP A 24 1.447 -11.302 5.876 1.00 0.00 C ATOM 313 OD1 ASP A 24 1.090 -11.868 6.930 1.00 0.00 O ATOM 314 OD2 ASP A 24 2.563 -11.483 5.345 1.00 0.00 O ATOM 0 H ASP A 24 -0.786 -12.112 4.040 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.044 -10.980 6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.615 -10.393 4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.705 -9.328 5.515 1.00 0.00 H new ATOM 319 N THR A 25 -1.443 -8.331 6.017 1.00 0.00 N ATOM 320 CA THR A 25 -2.178 -7.075 5.930 1.00 0.00 C ATOM 321 C THR A 25 -1.300 -5.962 5.369 1.00 0.00 C ATOM 322 O THR A 25 -0.464 -5.401 6.077 1.00 0.00 O ATOM 323 CB THR A 25 -2.717 -6.644 7.307 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.638 -7.622 7.801 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.406 -5.290 7.218 1.00 0.00 C ATOM 0 H THR A 25 -0.615 -8.295 6.612 1.00 0.00 H new ATOM 0 HA THR A 25 -3.018 -7.246 5.256 1.00 0.00 H new ATOM 0 HB THR A 25 -1.874 -6.561 7.993 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.975 -7.341 8.677 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.779 -5.006 8.202 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.694 -4.542 6.870 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.239 -5.351 6.518 1.00 0.00 H new ATOM 333 N ALA A 26 -1.497 -5.647 4.093 1.00 0.00 N ATOM 334 CA ALA A 26 -0.725 -4.598 3.438 1.00 0.00 C ATOM 335 C ALA A 26 -0.910 -3.258 4.142 1.00 0.00 C ATOM 336 O ALA A 26 -2.018 -2.906 4.549 1.00 0.00 O ATOM 337 CB ALA A 26 -1.123 -4.486 1.973 1.00 0.00 C ATOM 0 H ALA A 26 -2.184 -6.103 3.493 1.00 0.00 H new ATOM 0 HA ALA A 26 0.330 -4.867 3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.539 -3.699 1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.932 -5.434 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.183 -4.244 1.902 1.00 0.00 H new ATOM 343 N THR A 27 0.182 -2.514 4.285 1.00 0.00 N ATOM 344 CA THR A 27 0.141 -1.214 4.942 1.00 0.00 C ATOM 345 C THR A 27 0.937 -0.176 4.159 1.00 0.00 C ATOM 346 O THR A 27 2.166 -0.239 4.098 1.00 0.00 O ATOM 347 CB THR A 27 0.692 -1.292 6.378 1.00 0.00 C ATOM 348 OG1 THR A 27 -0.042 -2.263 7.132 1.00 0.00 O ATOM 349 CG2 THR A 27 0.607 0.063 7.065 1.00 0.00 C ATOM 0 H THR A 27 1.107 -2.790 3.954 1.00 0.00 H new ATOM 0 HA THR A 27 -0.906 -0.912 4.979 1.00 0.00 H new ATOM 0 HB THR A 27 1.739 -1.589 6.326 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.315 -2.308 8.043 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.002 -0.017 8.078 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.191 0.793 6.504 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.433 0.386 7.106 1.00 0.00 H new ATOM 357 N LEU A 28 0.232 0.778 3.562 1.00 0.00 N ATOM 358 CA LEU A 28 0.874 1.831 2.783 1.00 0.00 C ATOM 359 C LEU A 28 0.831 3.162 3.527 1.00 0.00 C ATOM 360 O LEU A 28 -0.070 3.407 4.330 1.00 0.00 O ATOM 361 CB LEU A 28 0.192 1.973 1.421 1.00 0.00 C ATOM 362 CG LEU A 28 0.426 0.831 0.432 1.00 0.00 C ATOM 363 CD1 LEU A 28 -0.637 -0.244 0.595 1.00 0.00 C ATOM 364 CD2 LEU A 28 0.440 1.357 -0.996 1.00 0.00 C ATOM 0 H LEU A 28 -0.785 0.844 3.602 1.00 0.00 H new ATOM 0 HA LEU A 28 1.917 1.553 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.881 2.073 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.533 2.901 0.961 1.00 0.00 H new ATOM 0 HG LEU A 28 1.398 0.386 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.453 -1.048 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.599 -0.642 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.621 0.187 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.608 0.531 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.517 1.828 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.239 2.090 -1.106 1.00 0.00 H new ATOM 376 N TRP A 29 1.808 4.019 3.253 1.00 0.00 N ATOM 377 CA TRP A 29 1.880 5.326 3.895 1.00 0.00 C ATOM 378 C TRP A 29 2.512 6.356 2.964 1.00 0.00 C ATOM 379 O TRP A 29 3.247 6.003 2.041 1.00 0.00 O ATOM 380 CB TRP A 29 2.682 5.236 5.194 1.00 0.00 C ATOM 381 CG TRP A 29 4.164 5.183 4.975 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.945 4.063 4.920 1.00 0.00 C ATOM 383 CD2 TRP A 29 5.043 6.297 4.783 1.00 0.00 C ATOM 384 NE1 TRP A 29 6.256 4.415 4.706 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.342 5.779 4.617 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.858 7.681 4.733 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.448 6.598 4.407 1.00 0.00 C ATOM 388 CZ3 TRP A 29 5.956 8.493 4.524 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.238 7.950 4.362 1.00 0.00 C ATOM 0 H TRP A 29 2.561 3.832 2.591 1.00 0.00 H new ATOM 0 HA TRP A 29 0.864 5.646 4.125 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.445 6.097 5.819 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.371 4.348 5.744 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.585 3.051 5.029 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.038 3.766 4.626 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.874 8.109 4.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.437 6.181 4.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.824 9.564 4.485 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.076 8.611 4.199 1.00 0.00 H new ATOM 400 N CYS A 30 2.221 7.628 3.212 1.00 0.00 N ATOM 401 CA CYS A 30 2.760 8.709 2.394 1.00 0.00 C ATOM 402 C CYS A 30 2.795 10.017 3.177 1.00 0.00 C ATOM 403 O CYS A 30 1.871 10.327 3.927 1.00 0.00 O ATOM 404 CB CYS A 30 1.925 8.882 1.125 1.00 0.00 C ATOM 405 SG CYS A 30 0.224 9.415 1.428 1.00 0.00 S ATOM 0 H CYS A 30 1.615 7.936 3.972 1.00 0.00 H new ATOM 0 HA CYS A 30 3.780 8.446 2.115 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.413 9.611 0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.907 7.937 0.583 1.00 0.00 H new ATOM 0 HG CYS A 30 0.007 10.542 0.818 1.00 0.00 H new ATOM 411 N GLU A 31 3.870 10.779 2.998 1.00 0.00 N ATOM 412 CA GLU A 31 4.026 12.053 3.690 1.00 0.00 C ATOM 413 C GLU A 31 3.188 13.141 3.024 1.00 0.00 C ATOM 414 O GLU A 31 2.837 13.037 1.848 1.00 0.00 O ATOM 415 CB GLU A 31 5.498 12.470 3.712 1.00 0.00 C ATOM 416 CG GLU A 31 5.878 13.300 4.927 1.00 0.00 C ATOM 417 CD GLU A 31 6.222 12.446 6.132 1.00 0.00 C ATOM 418 OE1 GLU A 31 7.371 11.962 6.207 1.00 0.00 O ATOM 419 OE2 GLU A 31 5.343 12.261 6.999 1.00 0.00 O ATOM 0 H GLU A 31 4.645 10.536 2.380 1.00 0.00 H new ATOM 0 HA GLU A 31 3.676 11.925 4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.121 11.576 3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.719 13.040 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.731 13.932 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.052 13.965 5.181 1.00 0.00 H new ATOM 426 N LEU A 32 2.869 14.183 3.784 1.00 0.00 N ATOM 427 CA LEU A 32 2.072 15.290 3.269 1.00 0.00 C ATOM 428 C LEU A 32 2.722 16.629 3.599 1.00 0.00 C ATOM 429 O LEU A 32 3.125 16.872 4.737 1.00 0.00 O ATOM 430 CB LEU A 32 0.658 15.240 3.851 1.00 0.00 C ATOM 431 CG LEU A 32 -0.433 15.923 3.025 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.389 15.442 1.583 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.803 15.665 3.634 1.00 0.00 C ATOM 0 H LEU A 32 3.150 14.284 4.759 1.00 0.00 H new ATOM 0 HA LEU A 32 2.016 15.191 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.380 14.195 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.677 15.698 4.840 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.251 16.998 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.172 15.938 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.583 15.679 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.546 14.364 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.567 16.158 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.995 14.592 3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.830 16.059 4.650 1.00 0.00 H new ATOM 445 N SER A 33 2.820 17.497 2.597 1.00 0.00 N ATOM 446 CA SER A 33 3.423 18.812 2.780 1.00 0.00 C ATOM 447 C SER A 33 2.765 19.555 3.939 1.00 0.00 C ATOM 448 O SER A 33 3.402 20.361 4.617 1.00 0.00 O ATOM 449 CB SER A 33 3.301 19.636 1.497 1.00 0.00 C ATOM 450 OG SER A 33 2.043 20.284 1.424 1.00 0.00 O ATOM 0 H SER A 33 2.489 17.313 1.650 1.00 0.00 H new ATOM 0 HA SER A 33 4.478 18.671 3.014 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.098 20.378 1.461 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.430 18.987 0.631 1.00 0.00 H new ATOM 0 HG SER A 33 1.991 20.805 0.596 1.00 0.00 H new ATOM 456 N LYS A 34 1.485 19.277 4.161 1.00 0.00 N ATOM 457 CA LYS A 34 0.738 19.916 5.237 1.00 0.00 C ATOM 458 C LYS A 34 -0.229 18.932 5.888 1.00 0.00 C ATOM 459 O LYS A 34 -0.598 17.922 5.289 1.00 0.00 O ATOM 460 CB LYS A 34 -0.032 21.126 4.703 1.00 0.00 C ATOM 461 CG LYS A 34 -1.149 20.759 3.741 1.00 0.00 C ATOM 462 CD LYS A 34 -2.461 20.529 4.472 1.00 0.00 C ATOM 463 CE LYS A 34 -3.208 21.834 4.701 1.00 0.00 C ATOM 464 NZ LYS A 34 -2.556 22.670 5.747 1.00 0.00 N ATOM 0 H LYS A 34 0.943 18.612 3.609 1.00 0.00 H new ATOM 0 HA LYS A 34 1.451 20.250 5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.454 21.678 5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.665 21.796 4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.275 21.555 3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.875 19.859 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.086 19.847 3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.265 20.048 5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.256 22.394 3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.235 21.618 4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.250 23.338 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.196 22.057 6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.766 23.199 5.326 1.00 0.00 H new ATOM 478 N ALA A 35 -0.635 19.234 7.117 1.00 0.00 N ATOM 479 CA ALA A 35 -1.562 18.377 7.847 1.00 0.00 C ATOM 480 C ALA A 35 -2.995 18.585 7.369 1.00 0.00 C ATOM 481 O ALA A 35 -3.571 19.657 7.553 1.00 0.00 O ATOM 482 CB ALA A 35 -1.458 18.641 9.342 1.00 0.00 C ATOM 0 H ALA A 35 -0.337 20.065 7.628 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.290 17.340 7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.155 17.995 9.875 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.442 18.434 9.678 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.702 19.684 9.545 1.00 0.00 H new ATOM 488 N ALA A 36 -3.565 17.554 6.755 1.00 0.00 N ATOM 489 CA ALA A 36 -4.931 17.624 6.252 1.00 0.00 C ATOM 490 C ALA A 36 -5.506 16.230 6.028 1.00 0.00 C ATOM 491 O ALA A 36 -4.779 15.258 5.819 1.00 0.00 O ATOM 492 CB ALA A 36 -4.978 18.430 4.962 1.00 0.00 C ATOM 0 H ALA A 36 -3.102 16.660 6.594 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.543 18.124 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.004 18.474 4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.616 19.441 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.347 17.953 4.212 1.00 0.00 H new ATOM 498 N PRO A 37 -6.842 16.126 6.074 1.00 0.00 N ATOM 499 CA PRO A 37 -7.545 14.854 5.879 1.00 0.00 C ATOM 500 C PRO A 37 -7.457 14.358 4.440 1.00 0.00 C ATOM 501 O PRO A 37 -7.928 15.021 3.515 1.00 0.00 O ATOM 502 CB PRO A 37 -8.993 15.189 6.242 1.00 0.00 C ATOM 503 CG PRO A 37 -9.117 16.653 5.996 1.00 0.00 C ATOM 504 CD PRO A 37 -7.771 17.242 6.319 1.00 0.00 C ATOM 0 HA PRO A 37 -7.115 14.054 6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.695 14.624 5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.207 14.943 7.282 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.392 16.853 4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.895 17.090 6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.545 18.099 5.685 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.721 17.587 7.352 1.00 0.00 H new ATOM 512 N VAL A 38 -6.853 13.189 4.257 1.00 0.00 N ATOM 513 CA VAL A 38 -6.705 12.603 2.930 1.00 0.00 C ATOM 514 C VAL A 38 -7.724 11.492 2.703 1.00 0.00 C ATOM 515 O VAL A 38 -8.497 11.154 3.598 1.00 0.00 O ATOM 516 CB VAL A 38 -5.288 12.037 2.720 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.241 13.108 2.981 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.061 10.828 3.615 1.00 0.00 C ATOM 0 H VAL A 38 -6.458 12.628 5.012 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.878 13.403 2.210 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.193 11.716 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.246 12.689 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.394 13.941 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.331 13.462 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.055 10.440 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.174 11.121 4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.791 10.055 3.374 1.00 0.00 H new ATOM 528 N GLU A 39 -7.717 10.927 1.500 1.00 0.00 N ATOM 529 CA GLU A 39 -8.642 9.853 1.156 1.00 0.00 C ATOM 530 C GLU A 39 -7.953 8.796 0.297 1.00 0.00 C ATOM 531 O GLU A 39 -7.142 9.119 -0.571 1.00 0.00 O ATOM 532 CB GLU A 39 -9.857 10.414 0.415 1.00 0.00 C ATOM 533 CG GLU A 39 -10.897 9.362 0.067 1.00 0.00 C ATOM 534 CD GLU A 39 -11.880 9.118 1.196 1.00 0.00 C ATOM 535 OE1 GLU A 39 -11.439 9.060 2.363 1.00 0.00 O ATOM 536 OE2 GLU A 39 -13.088 8.984 0.913 1.00 0.00 O ATOM 0 H GLU A 39 -7.082 11.194 0.748 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.975 9.384 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.323 11.184 1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.521 10.898 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.442 9.676 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.394 8.427 -0.180 1.00 0.00 H new ATOM 543 N TRP A 40 -8.281 7.534 0.547 1.00 0.00 N ATOM 544 CA TRP A 40 -7.694 6.429 -0.203 1.00 0.00 C ATOM 545 C TRP A 40 -8.729 5.777 -1.113 1.00 0.00 C ATOM 546 O TRP A 40 -9.899 5.656 -0.750 1.00 0.00 O ATOM 547 CB TRP A 40 -7.111 5.389 0.755 1.00 0.00 C ATOM 548 CG TRP A 40 -5.986 5.917 1.593 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.072 6.846 2.590 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.606 5.547 1.505 1.00 0.00 C ATOM 551 NE1 TRP A 40 -4.829 7.077 3.126 1.00 0.00 N ATOM 552 CE2 TRP A 40 -3.912 6.291 2.479 1.00 0.00 C ATOM 553 CE3 TRP A 40 -3.888 4.658 0.699 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.537 6.173 2.666 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.524 4.542 0.886 1.00 0.00 C ATOM 556 CH2 TRP A 40 -1.860 5.296 1.864 1.00 0.00 C ATOM 0 H TRP A 40 -8.950 7.250 1.263 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.893 6.829 -0.825 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.903 5.025 1.410 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.756 4.534 0.179 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.984 7.328 2.910 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.622 7.728 3.883 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.391 4.072 -0.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.023 6.754 3.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.960 3.859 0.268 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.793 5.182 1.986 1.00 0.00 H new ATOM 567 N ARG A 41 -8.291 5.358 -2.295 1.00 0.00 N ATOM 568 CA ARG A 41 -9.181 4.719 -3.257 1.00 0.00 C ATOM 569 C ARG A 41 -8.516 3.498 -3.886 1.00 0.00 C ATOM 570 O ARG A 41 -7.322 3.514 -4.187 1.00 0.00 O ATOM 571 CB ARG A 41 -9.584 5.712 -4.349 1.00 0.00 C ATOM 572 CG ARG A 41 -10.315 6.936 -3.820 1.00 0.00 C ATOM 573 CD ARG A 41 -10.267 8.086 -4.814 1.00 0.00 C ATOM 574 NE ARG A 41 -11.300 7.967 -5.839 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.286 8.649 -6.979 1.00 0.00 C ATOM 576 NH1 ARG A 41 -10.297 9.493 -7.238 1.00 0.00 N ATOM 577 NH2 ARG A 41 -12.262 8.486 -7.863 1.00 0.00 N ATOM 0 H ARG A 41 -7.325 5.449 -2.610 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.074 4.391 -2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.690 6.035 -4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.221 5.204 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.353 6.679 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.867 7.250 -2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.391 9.030 -4.283 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.286 8.114 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.075 7.325 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.544 9.620 -6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.289 10.015 -8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.024 7.837 -7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.250 9.010 -8.738 1.00 0.00 H new ATOM 591 N LYS A 42 -9.297 2.441 -4.081 1.00 0.00 N ATOM 592 CA LYS A 42 -8.785 1.211 -4.673 1.00 0.00 C ATOM 593 C LYS A 42 -9.578 0.838 -5.922 1.00 0.00 C ATOM 594 O LYS A 42 -10.551 0.088 -5.850 1.00 0.00 O ATOM 595 CB LYS A 42 -8.845 0.068 -3.658 1.00 0.00 C ATOM 596 CG LYS A 42 -8.480 -1.286 -4.243 1.00 0.00 C ATOM 597 CD LYS A 42 -8.748 -2.410 -3.258 1.00 0.00 C ATOM 598 CE LYS A 42 -8.628 -3.774 -3.921 1.00 0.00 C ATOM 599 NZ LYS A 42 -9.911 -4.203 -4.543 1.00 0.00 N ATOM 0 H LYS A 42 -10.287 2.412 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.747 1.380 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.170 0.291 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.851 0.015 -3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.053 -1.456 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.427 -1.290 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.043 -2.344 -2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.747 -2.296 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.849 -3.740 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.319 -4.512 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.788 -5.137 -4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.649 -4.260 -3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.193 -3.512 -5.268 1.00 0.00 H new ATOM 613 N GLY A 43 -9.155 1.365 -7.067 1.00 0.00 N ATOM 614 CA GLY A 43 -9.836 1.075 -8.314 1.00 0.00 C ATOM 615 C GLY A 43 -10.990 2.022 -8.579 1.00 0.00 C ATOM 616 O GLY A 43 -10.799 3.235 -8.670 1.00 0.00 O ATOM 0 H GLY A 43 -8.352 1.988 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.123 1.137 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.208 0.051 -8.291 1.00 0.00 H new ATOM 620 N HIS A 44 -12.192 1.467 -8.704 1.00 0.00 N ATOM 621 CA HIS A 44 -13.382 2.271 -8.961 1.00 0.00 C ATOM 622 C HIS A 44 -14.237 2.392 -7.703 1.00 0.00 C ATOM 623 O HIS A 44 -15.444 2.155 -7.738 1.00 0.00 O ATOM 624 CB HIS A 44 -14.204 1.655 -10.094 1.00 0.00 C ATOM 625 CG HIS A 44 -13.636 1.915 -11.455 1.00 0.00 C ATOM 626 ND1 HIS A 44 -13.111 0.922 -12.254 1.00 0.00 N ATOM 627 CD2 HIS A 44 -13.514 3.065 -12.159 1.00 0.00 C ATOM 628 CE1 HIS A 44 -12.690 1.449 -13.390 1.00 0.00 C ATOM 629 NE2 HIS A 44 -12.923 2.749 -13.357 1.00 0.00 N ATOM 0 H HIS A 44 -12.367 0.465 -8.632 1.00 0.00 H new ATOM 0 HA HIS A 44 -13.060 3.269 -9.257 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -14.273 0.578 -9.938 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -15.219 2.049 -10.051 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -13.824 4.048 -11.838 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.233 0.909 -14.206 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.700 3.410 -14.101 1.00 0.00 H new ATOM 638 N GLU A 45 -13.603 2.761 -6.595 1.00 0.00 N ATOM 639 CA GLU A 45 -14.307 2.912 -5.327 1.00 0.00 C ATOM 640 C GLU A 45 -13.430 3.621 -4.299 1.00 0.00 C ATOM 641 O GLU A 45 -12.202 3.543 -4.353 1.00 0.00 O ATOM 642 CB GLU A 45 -14.736 1.544 -4.791 1.00 0.00 C ATOM 643 CG GLU A 45 -15.928 1.606 -3.850 1.00 0.00 C ATOM 644 CD GLU A 45 -16.665 0.285 -3.756 1.00 0.00 C ATOM 645 OE1 GLU A 45 -17.505 0.010 -4.639 1.00 0.00 O ATOM 646 OE2 GLU A 45 -16.404 -0.474 -2.799 1.00 0.00 O ATOM 0 H GLU A 45 -12.604 2.961 -6.549 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.194 3.520 -5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.980 0.894 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.895 1.087 -4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.588 1.899 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.617 2.379 -4.192 1.00 0.00 H new ATOM 653 N THR A 46 -14.070 4.313 -3.361 1.00 0.00 N ATOM 654 CA THR A 46 -13.350 5.038 -2.322 1.00 0.00 C ATOM 655 C THR A 46 -13.275 4.224 -1.035 1.00 0.00 C ATOM 656 O THR A 46 -14.295 3.959 -0.396 1.00 0.00 O ATOM 657 CB THR A 46 -14.014 6.394 -2.020 1.00 0.00 C ATOM 658 OG1 THR A 46 -14.107 7.172 -3.218 1.00 0.00 O ATOM 659 CG2 THR A 46 -13.224 7.162 -0.971 1.00 0.00 C ATOM 0 H THR A 46 -15.086 4.386 -3.300 1.00 0.00 H new ATOM 0 HA THR A 46 -12.342 5.211 -2.699 1.00 0.00 H new ATOM 0 HB THR A 46 -15.015 6.205 -1.632 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.532 8.032 -3.017 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.712 8.116 -0.774 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.180 6.580 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.212 7.340 -1.336 1.00 0.00 H new ATOM 667 N LEU A 47 -12.064 3.829 -0.659 1.00 0.00 N ATOM 668 CA LEU A 47 -11.856 3.045 0.553 1.00 0.00 C ATOM 669 C LEU A 47 -12.533 3.704 1.750 1.00 0.00 C ATOM 670 O LEU A 47 -12.702 4.923 1.788 1.00 0.00 O ATOM 671 CB LEU A 47 -10.360 2.878 0.826 1.00 0.00 C ATOM 672 CG LEU A 47 -9.569 2.098 -0.224 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.080 2.370 -0.081 1.00 0.00 C ATOM 674 CD2 LEU A 47 -9.854 0.608 -0.108 1.00 0.00 C ATOM 0 H LEU A 47 -11.210 4.039 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.303 2.062 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.916 3.869 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.240 2.378 1.787 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.885 2.432 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.533 1.806 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.890 3.435 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.748 2.064 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.282 0.068 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.566 0.259 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.918 0.428 -0.261 1.00 0.00 H new ATOM 686 N ARG A 48 -12.918 2.890 2.728 1.00 0.00 N ATOM 687 CA ARG A 48 -13.575 3.394 3.928 1.00 0.00 C ATOM 688 C ARG A 48 -13.073 2.664 5.170 1.00 0.00 C ATOM 689 O ARG A 48 -12.600 1.531 5.088 1.00 0.00 O ATOM 690 CB ARG A 48 -15.092 3.235 3.809 1.00 0.00 C ATOM 691 CG ARG A 48 -15.682 3.919 2.586 1.00 0.00 C ATOM 692 CD ARG A 48 -17.158 4.230 2.779 1.00 0.00 C ATOM 693 NE ARG A 48 -18.011 3.129 2.342 1.00 0.00 N ATOM 694 CZ ARG A 48 -18.213 2.817 1.067 1.00 0.00 C ATOM 695 NH1 ARG A 48 -17.626 3.520 0.108 1.00 0.00 N ATOM 696 NH2 ARG A 48 -19.004 1.801 0.748 1.00 0.00 N ATOM 0 H ARG A 48 -12.786 1.879 2.713 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.333 4.452 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.336 2.173 3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.563 3.641 4.704 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.138 4.842 2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.555 3.279 1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.349 4.441 3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.415 5.131 2.221 1.00 0.00 H new ATOM 0 HE ARG A 48 -18.478 2.568 3.055 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -17.018 4.302 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.783 3.278 -0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -19.458 1.258 1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.158 1.563 -0.232 1.00 0.00 H new ATOM 710 N ASP A 49 -13.179 3.323 6.319 1.00 0.00 N ATOM 711 CA ASP A 49 -12.736 2.737 7.580 1.00 0.00 C ATOM 712 C ASP A 49 -13.893 2.044 8.293 1.00 0.00 C ATOM 713 O ASP A 49 -14.880 2.680 8.660 1.00 0.00 O ATOM 714 CB ASP A 49 -12.136 3.815 8.484 1.00 0.00 C ATOM 715 CG ASP A 49 -12.875 5.134 8.382 1.00 0.00 C ATOM 716 OD1 ASP A 49 -13.980 5.241 8.955 1.00 0.00 O ATOM 717 OD2 ASP A 49 -12.349 6.060 7.730 1.00 0.00 O ATOM 0 H ASP A 49 -13.567 4.262 6.404 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.971 1.993 7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.156 3.470 9.518 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.090 3.967 8.218 1.00 0.00 H new ATOM 765 N HIS A 53 -10.742 -2.529 6.549 1.00 0.00 N ATOM 766 CA HIS A 53 -9.930 -1.407 6.093 1.00 0.00 C ATOM 767 C HIS A 53 -9.711 -0.401 7.220 1.00 0.00 C ATOM 768 O HIS A 53 -10.602 -0.165 8.036 1.00 0.00 O ATOM 769 CB HIS A 53 -10.597 -0.718 4.902 1.00 0.00 C ATOM 770 CG HIS A 53 -10.415 -1.450 3.608 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.380 -2.272 3.066 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.372 -1.479 2.746 1.00 0.00 C ATOM 773 CE1 HIS A 53 -10.938 -2.777 1.928 1.00 0.00 C ATOM 774 NE2 HIS A 53 -9.722 -2.310 1.711 1.00 0.00 N ATOM 0 HA HIS A 53 -8.960 -1.795 5.782 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.663 -0.613 5.104 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.191 0.289 4.801 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.438 -0.947 2.853 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.479 -3.456 1.285 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.137 -2.531 0.905 1.00 0.00 H new ATOM 783 N SER A 54 -8.520 0.187 7.258 1.00 0.00 N ATOM 784 CA SER A 54 -8.183 1.163 8.288 1.00 0.00 C ATOM 785 C SER A 54 -7.539 2.402 7.671 1.00 0.00 C ATOM 786 O SER A 54 -6.387 2.367 7.238 1.00 0.00 O ATOM 787 CB SER A 54 -7.238 0.543 9.319 1.00 0.00 C ATOM 788 OG SER A 54 -7.618 -0.788 9.624 1.00 0.00 O ATOM 0 H SER A 54 -7.773 0.005 6.588 1.00 0.00 H new ATOM 0 HA SER A 54 -9.105 1.463 8.786 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.218 0.554 8.935 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.243 1.143 10.229 1.00 0.00 H new ATOM 0 HG SER A 54 -6.822 -1.311 9.854 1.00 0.00 H new ATOM 794 N LEU A 55 -8.292 3.496 7.636 1.00 0.00 N ATOM 795 CA LEU A 55 -7.797 4.747 7.073 1.00 0.00 C ATOM 796 C LEU A 55 -7.589 5.791 8.165 1.00 0.00 C ATOM 797 O LEU A 55 -8.551 6.326 8.717 1.00 0.00 O ATOM 798 CB LEU A 55 -8.773 5.279 6.022 1.00 0.00 C ATOM 799 CG LEU A 55 -8.989 4.390 4.797 1.00 0.00 C ATOM 800 CD1 LEU A 55 -10.040 3.329 5.086 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.393 5.230 3.594 1.00 0.00 C ATOM 0 H LEU A 55 -9.247 3.542 7.991 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.836 4.548 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.738 5.444 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.416 6.251 5.682 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.050 3.888 4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.180 2.706 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.711 2.708 5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.983 3.811 5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.543 4.581 2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.320 5.760 3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.606 5.952 3.373 1.00 0.00 H new ATOM 813 N ARG A 56 -6.328 6.079 8.471 1.00 0.00 N ATOM 814 CA ARG A 56 -5.995 7.060 9.496 1.00 0.00 C ATOM 815 C ARG A 56 -4.682 7.764 9.169 1.00 0.00 C ATOM 816 O ARG A 56 -3.771 7.165 8.599 1.00 0.00 O ATOM 817 CB ARG A 56 -5.896 6.385 10.865 1.00 0.00 C ATOM 818 CG ARG A 56 -4.758 5.383 10.969 1.00 0.00 C ATOM 819 CD ARG A 56 -4.783 4.647 12.300 1.00 0.00 C ATOM 820 NE ARG A 56 -6.055 3.965 12.523 1.00 0.00 N ATOM 821 CZ ARG A 56 -7.123 4.555 13.050 1.00 0.00 C ATOM 822 NH1 ARG A 56 -7.071 5.831 13.406 1.00 0.00 N ATOM 823 NH2 ARG A 56 -8.245 3.867 13.223 1.00 0.00 N ATOM 0 H ARG A 56 -5.520 5.646 8.023 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.790 7.805 9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.766 7.151 11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.837 5.877 11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.829 4.664 10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.805 5.900 10.856 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.972 3.920 12.328 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.604 5.355 13.109 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.128 2.982 12.260 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.210 6.362 13.276 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.892 6.282 13.810 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.288 2.885 12.951 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.064 4.321 13.628 1.00 0.00 H new ATOM 837 N GLN A 57 -4.594 9.040 9.532 1.00 0.00 N ATOM 838 CA GLN A 57 -3.393 9.826 9.275 1.00 0.00 C ATOM 839 C GLN A 57 -3.043 10.695 10.479 1.00 0.00 C ATOM 840 O GLN A 57 -3.914 11.335 11.068 1.00 0.00 O ATOM 841 CB GLN A 57 -3.587 10.703 8.037 1.00 0.00 C ATOM 842 CG GLN A 57 -4.310 12.008 8.323 1.00 0.00 C ATOM 843 CD GLN A 57 -4.303 12.952 7.137 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.223 12.946 6.318 1.00 0.00 O ATOM 845 NE2 GLN A 57 -3.262 13.770 7.038 1.00 0.00 N ATOM 0 H GLN A 57 -5.340 9.551 10.005 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.569 9.136 9.097 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.612 10.925 7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.148 10.143 7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.341 11.793 8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.841 12.499 9.176 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.522 13.741 7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.202 14.427 6.260 1.00 0.00 H new ATOM 854 N ASP A 58 -1.764 10.712 10.838 1.00 0.00 N ATOM 855 CA ASP A 58 -1.299 11.503 11.971 1.00 0.00 C ATOM 856 C ASP A 58 -0.604 12.776 11.497 1.00 0.00 C ATOM 857 O ASP A 58 0.353 12.722 10.725 1.00 0.00 O ATOM 858 CB ASP A 58 -0.346 10.680 12.839 1.00 0.00 C ATOM 859 CG ASP A 58 -0.384 11.096 14.296 1.00 0.00 C ATOM 860 OD1 ASP A 58 0.183 12.159 14.624 1.00 0.00 O ATOM 861 OD2 ASP A 58 -0.980 10.358 15.109 1.00 0.00 O ATOM 0 H ASP A 58 -1.031 10.187 10.361 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.168 11.785 12.566 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.606 9.625 12.759 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.670 10.787 12.460 1.00 0.00 H new ATOM 866 N GLY A 59 -1.093 13.921 11.963 1.00 0.00 N ATOM 867 CA GLY A 59 -0.508 15.191 11.575 1.00 0.00 C ATOM 868 C GLY A 59 -0.338 15.316 10.074 1.00 0.00 C ATOM 869 O GLY A 59 -1.250 15.755 9.373 1.00 0.00 O ATOM 0 H GLY A 59 -1.884 13.992 12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.139 16.003 11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.463 15.303 12.058 1.00 0.00 H new ATOM 873 N SER A 60 0.834 14.930 9.578 1.00 0.00 N ATOM 874 CA SER A 60 1.123 15.007 8.151 1.00 0.00 C ATOM 875 C SER A 60 1.619 13.664 7.625 1.00 0.00 C ATOM 876 O SER A 60 2.506 13.608 6.773 1.00 0.00 O ATOM 877 CB SER A 60 2.166 16.092 7.878 1.00 0.00 C ATOM 878 OG SER A 60 1.771 17.332 8.438 1.00 0.00 O ATOM 0 H SER A 60 1.598 14.561 10.144 1.00 0.00 H new ATOM 0 HA SER A 60 0.200 15.263 7.631 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.127 15.791 8.296 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.307 16.203 6.803 1.00 0.00 H new ATOM 0 HG SER A 60 2.455 18.008 8.251 1.00 0.00 H new ATOM 884 N ARG A 61 1.040 12.583 8.139 1.00 0.00 N ATOM 885 CA ARG A 61 1.424 11.240 7.722 1.00 0.00 C ATOM 886 C ARG A 61 0.194 10.353 7.549 1.00 0.00 C ATOM 887 O ARG A 61 -0.614 10.208 8.467 1.00 0.00 O ATOM 888 CB ARG A 61 2.374 10.617 8.746 1.00 0.00 C ATOM 889 CG ARG A 61 3.249 9.514 8.173 1.00 0.00 C ATOM 890 CD ARG A 61 3.668 8.521 9.247 1.00 0.00 C ATOM 891 NE ARG A 61 4.243 7.307 8.674 1.00 0.00 N ATOM 892 CZ ARG A 61 5.423 7.270 8.064 1.00 0.00 C ATOM 893 NH1 ARG A 61 6.148 8.374 7.948 1.00 0.00 N ATOM 894 NH2 ARG A 61 5.879 6.126 7.569 1.00 0.00 N ATOM 0 H ARG A 61 0.304 12.612 8.844 1.00 0.00 H new ATOM 0 HA ARG A 61 1.935 11.317 6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.012 11.398 9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.789 10.213 9.573 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.708 8.992 7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.136 9.952 7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.396 8.989 9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.803 8.260 9.857 1.00 0.00 H new ATOM 0 HE ARG A 61 3.710 6.440 8.746 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.800 9.255 8.327 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.053 8.343 7.479 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.324 5.275 7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.785 6.098 7.101 1.00 0.00 H new ATOM 908 N CYS A 62 0.059 9.763 6.366 1.00 0.00 N ATOM 909 CA CYS A 62 -1.072 8.891 6.072 1.00 0.00 C ATOM 910 C CYS A 62 -0.663 7.423 6.148 1.00 0.00 C ATOM 911 O CYS A 62 0.466 7.066 5.811 1.00 0.00 O ATOM 912 CB CYS A 62 -1.636 9.203 4.685 1.00 0.00 C ATOM 913 SG CYS A 62 -1.434 10.927 4.177 1.00 0.00 S ATOM 0 H CYS A 62 0.719 9.873 5.596 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.843 9.074 6.821 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.148 8.560 3.953 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.697 8.953 4.671 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.768 10.976 3.061 1.00 0.00 H new ATOM 919 N GLU A 63 -1.587 6.579 6.596 1.00 0.00 N ATOM 920 CA GLU A 63 -1.320 5.151 6.719 1.00 0.00 C ATOM 921 C GLU A 63 -2.582 4.336 6.450 1.00 0.00 C ATOM 922 O GLU A 63 -3.522 4.345 7.246 1.00 0.00 O ATOM 923 CB GLU A 63 -0.779 4.829 8.114 1.00 0.00 C ATOM 924 CG GLU A 63 0.142 3.621 8.146 1.00 0.00 C ATOM 925 CD GLU A 63 0.663 3.321 9.538 1.00 0.00 C ATOM 926 OE1 GLU A 63 -0.066 2.670 10.316 1.00 0.00 O ATOM 927 OE2 GLU A 63 1.798 3.737 9.850 1.00 0.00 O ATOM 0 H GLU A 63 -2.526 6.859 6.879 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.570 4.882 5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.240 5.697 8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.617 4.654 8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.394 2.750 7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.984 3.793 7.476 1.00 0.00 H new ATOM 934 N LEU A 64 -2.596 3.633 5.323 1.00 0.00 N ATOM 935 CA LEU A 64 -3.742 2.813 4.947 1.00 0.00 C ATOM 936 C LEU A 64 -3.486 1.343 5.262 1.00 0.00 C ATOM 937 O LEU A 64 -2.378 0.842 5.072 1.00 0.00 O ATOM 938 CB LEU A 64 -4.049 2.981 3.458 1.00 0.00 C ATOM 939 CG LEU A 64 -5.006 1.955 2.849 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.385 2.073 3.479 1.00 0.00 C ATOM 941 CD2 LEU A 64 -5.089 2.134 1.340 1.00 0.00 C ATOM 0 H LEU A 64 -1.827 3.614 4.654 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.602 3.146 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.468 3.975 3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.109 2.943 2.907 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.619 0.957 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.053 1.336 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.311 1.895 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.781 3.073 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.774 1.396 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.452 3.136 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.100 1.999 0.903 1.00 0.00 H new ATOM 953 N GLN A 65 -4.519 0.657 5.743 1.00 0.00 N ATOM 954 CA GLN A 65 -4.405 -0.756 6.082 1.00 0.00 C ATOM 955 C GLN A 65 -5.468 -1.577 5.359 1.00 0.00 C ATOM 956 O GLN A 65 -6.636 -1.190 5.309 1.00 0.00 O ATOM 957 CB GLN A 65 -4.534 -0.951 7.594 1.00 0.00 C ATOM 958 CG GLN A 65 -3.837 -2.201 8.107 1.00 0.00 C ATOM 959 CD GLN A 65 -3.690 -2.209 9.616 1.00 0.00 C ATOM 960 OE1 GLN A 65 -4.513 -1.640 10.335 1.00 0.00 O ATOM 961 NE2 GLN A 65 -2.639 -2.856 10.105 1.00 0.00 N ATOM 0 H GLN A 65 -5.443 1.057 5.906 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.423 -1.103 5.760 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.120 -0.080 8.101 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.591 -1.000 7.857 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.401 -3.080 7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.851 -2.276 7.649 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.982 -3.313 9.473 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.488 -2.896 11.113 1.00 0.00 H new ATOM 970 N ILE A 66 -5.056 -2.710 4.801 1.00 0.00 N ATOM 971 CA ILE A 66 -5.973 -3.585 4.082 1.00 0.00 C ATOM 972 C ILE A 66 -5.916 -5.008 4.626 1.00 0.00 C ATOM 973 O ILE A 66 -5.157 -5.842 4.132 1.00 0.00 O ATOM 974 CB ILE A 66 -5.661 -3.611 2.574 1.00 0.00 C ATOM 975 CG1 ILE A 66 -5.727 -2.197 1.993 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.629 -4.534 1.849 1.00 0.00 C ATOM 977 CD1 ILE A 66 -4.913 -2.024 0.730 1.00 0.00 C ATOM 0 H ILE A 66 -4.093 -3.044 4.833 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.975 -3.182 4.231 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.650 -3.994 2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.767 -1.948 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.375 -1.488 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.396 -4.542 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.537 -5.544 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.649 -4.178 1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.007 -0.998 0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.866 -2.241 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.279 -2.708 -0.036 1.00 0.00 H new ATOM 989 N ARG A 67 -6.724 -5.279 5.646 1.00 0.00 N ATOM 990 CA ARG A 67 -6.766 -6.602 6.257 1.00 0.00 C ATOM 991 C ARG A 67 -7.336 -7.632 5.285 1.00 0.00 C ATOM 992 O ARG A 67 -8.359 -7.396 4.644 1.00 0.00 O ATOM 993 CB ARG A 67 -7.607 -6.571 7.534 1.00 0.00 C ATOM 994 CG ARG A 67 -6.879 -5.975 8.728 1.00 0.00 C ATOM 995 CD ARG A 67 -7.841 -5.640 9.857 1.00 0.00 C ATOM 996 NE ARG A 67 -8.587 -6.812 10.307 1.00 0.00 N ATOM 997 CZ ARG A 67 -9.344 -6.827 11.398 1.00 0.00 C ATOM 998 NH1 ARG A 67 -9.456 -5.739 12.147 1.00 0.00 N ATOM 999 NH2 ARG A 67 -9.992 -7.933 11.742 1.00 0.00 N ATOM 0 H ARG A 67 -7.358 -4.600 6.067 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.746 -6.891 6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.514 -5.996 7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.918 -7.587 7.779 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.128 -6.679 9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.350 -5.073 8.420 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.284 -5.221 10.695 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.539 -4.873 9.523 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.523 -7.666 9.753 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.960 -4.887 11.886 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.038 -5.754 12.984 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.909 -8.772 11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.573 -7.944 12.580 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.665 -8.776 5.183 1.00 0.00 N ATOM 1014 CA GLY A 68 -7.119 -9.824 4.287 1.00 0.00 C ATOM 1015 C GLY A 68 -6.615 -9.634 2.870 1.00 0.00 C ATOM 1016 O GLY A 68 -7.406 -9.509 1.934 1.00 0.00 O ATOM 0 H GLY A 68 -5.816 -8.995 5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.782 -10.790 4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.209 -9.846 4.282 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.296 -9.610 2.711 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.688 -9.433 1.397 1.00 0.00 C ATOM 1022 C LEU A 69 -5.085 -10.565 0.455 1.00 0.00 C ATOM 1023 O LEU A 69 -5.214 -11.715 0.872 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.164 -9.370 1.523 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.565 -7.979 1.733 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.082 -8.080 2.055 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -2.789 -7.111 0.504 1.00 0.00 C ATOM 0 H LEU A 69 -4.628 -9.711 3.475 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.052 -8.494 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.862 -10.003 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.727 -9.800 0.622 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.068 -7.511 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.673 -7.080 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.946 -8.664 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.563 -8.568 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.356 -6.125 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.313 -7.574 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.859 -7.011 0.319 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.275 -10.230 -0.817 1.00 0.00 N ATOM 1040 CA ALA A 70 -5.653 -11.219 -1.819 1.00 0.00 C ATOM 1041 C ALA A 70 -5.046 -10.884 -3.177 1.00 0.00 C ATOM 1042 O ALA A 70 -4.565 -9.772 -3.396 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.168 -11.311 -1.924 1.00 0.00 C ATOM 0 H ALA A 70 -5.173 -9.281 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.262 -12.187 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.436 -12.053 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.582 -11.605 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.572 -10.341 -2.212 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.071 -11.853 -4.086 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.523 -11.661 -5.424 1.00 0.00 C ATOM 1051 C VAL A 71 -5.286 -10.580 -6.180 1.00 0.00 C ATOM 1052 O VAL A 71 -4.718 -9.867 -7.008 1.00 0.00 O ATOM 1053 CB VAL A 71 -4.561 -12.967 -6.239 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.036 -12.734 -7.647 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -3.764 -14.057 -5.537 1.00 0.00 C ATOM 0 H VAL A 71 -5.465 -12.779 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.486 -11.350 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.597 -13.298 -6.314 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.071 -13.668 -8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.654 -11.988 -8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.007 -12.379 -7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.802 -14.973 -6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.727 -13.738 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.191 -14.243 -4.551 1.00 0.00 H new ATOM 1065 N VAL A 72 -6.578 -10.463 -5.890 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.421 -9.467 -6.542 1.00 0.00 C ATOM 1067 C VAL A 72 -7.116 -8.066 -6.024 1.00 0.00 C ATOM 1068 O VAL A 72 -7.182 -7.089 -6.770 1.00 0.00 O ATOM 1069 CB VAL A 72 -8.916 -9.769 -6.326 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.291 -11.095 -6.969 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.249 -9.773 -4.842 1.00 0.00 C ATOM 0 H VAL A 72 -7.064 -11.045 -5.208 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.200 -9.513 -7.608 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.501 -8.983 -6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.351 -11.292 -6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.091 -11.050 -8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.701 -11.895 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.309 -9.988 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.657 -10.537 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.020 -8.797 -4.415 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.783 -7.975 -4.741 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.466 -6.693 -4.123 1.00 0.00 C ATOM 1083 C ASP A 73 -5.299 -6.019 -4.837 1.00 0.00 C ATOM 1084 O ASP A 73 -5.323 -4.814 -5.086 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.133 -6.885 -2.643 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.361 -6.806 -1.757 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.326 -7.555 -2.015 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -7.357 -5.995 -0.807 1.00 0.00 O ATOM 0 H ASP A 73 -6.726 -8.774 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.341 -6.049 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.651 -7.853 -2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.416 -6.125 -2.334 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.277 -6.804 -5.162 1.00 0.00 N ATOM 1094 CA ALA A 74 -3.101 -6.284 -5.848 1.00 0.00 C ATOM 1095 C ALA A 74 -3.483 -5.625 -7.169 1.00 0.00 C ATOM 1096 O ALA A 74 -3.875 -6.300 -8.120 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.091 -7.397 -6.083 1.00 0.00 C ATOM 0 H ALA A 74 -4.240 -7.803 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.646 -5.525 -5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.218 -6.994 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.786 -7.820 -5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.544 -8.176 -6.696 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.365 -4.302 -7.221 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.703 -3.574 -8.430 1.00 0.00 C ATOM 1105 C GLY A 75 -3.082 -2.191 -8.467 1.00 0.00 C ATOM 1106 O GLY A 75 -1.928 -2.033 -8.863 1.00 0.00 O ATOM 0 H GLY A 75 -3.041 -3.721 -6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.369 -4.142 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.787 -3.484 -8.506 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.851 -1.188 -8.055 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.369 0.188 -8.046 1.00 0.00 C ATOM 1112 C GLU A 76 -4.185 1.044 -7.081 1.00 0.00 C ATOM 1113 O GLU A 76 -5.380 1.259 -7.283 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.435 0.785 -9.454 1.00 0.00 C ATOM 1115 CG GLU A 76 -2.897 2.203 -9.540 1.00 0.00 C ATOM 1116 CD GLU A 76 -2.332 2.531 -10.908 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -1.792 1.614 -11.561 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -2.429 3.704 -11.325 1.00 0.00 O ATOM 0 H GLU A 76 -4.809 -1.302 -7.724 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.332 0.180 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.870 0.149 -10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.470 0.777 -9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.696 2.906 -9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.120 2.339 -8.788 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.530 1.528 -6.031 1.00 0.00 N ATOM 1126 CA TYR A 77 -4.194 2.357 -5.033 1.00 0.00 C ATOM 1127 C TYR A 77 -3.868 3.832 -5.245 1.00 0.00 C ATOM 1128 O TYR A 77 -2.715 4.199 -5.469 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.777 1.929 -3.625 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.245 0.540 -3.251 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.621 -0.587 -3.770 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.309 0.356 -2.377 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -4.045 -1.858 -3.431 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -5.740 -0.910 -2.032 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.105 -2.014 -2.562 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.530 -3.278 -2.221 1.00 0.00 O ATOM 0 H TYR A 77 -2.540 1.360 -5.850 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.270 2.222 -5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.690 1.970 -3.549 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.174 2.644 -2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.790 -0.468 -4.450 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.808 1.218 -1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.549 -2.724 -3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.569 -1.035 -1.351 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.500 -3.857 -3.011 1.00 0.00 H new ATOM 1146 N SER A 78 -4.894 4.675 -5.173 1.00 0.00 N ATOM 1147 CA SER A 78 -4.719 6.110 -5.360 1.00 0.00 C ATOM 1148 C SER A 78 -5.080 6.872 -4.088 1.00 0.00 C ATOM 1149 O SER A 78 -6.036 6.525 -3.394 1.00 0.00 O ATOM 1150 CB SER A 78 -5.580 6.603 -6.525 1.00 0.00 C ATOM 1151 OG SER A 78 -5.437 5.761 -7.656 1.00 0.00 O ATOM 0 H SER A 78 -5.855 4.388 -4.986 1.00 0.00 H new ATOM 0 HA SER A 78 -3.670 6.296 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.626 6.634 -6.221 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.294 7.622 -6.787 1.00 0.00 H new ATOM 0 HG SER A 78 -5.998 6.096 -8.386 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.308 7.911 -3.790 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.545 8.723 -2.601 1.00 0.00 C ATOM 1159 C CYS A 79 -4.863 10.165 -2.983 1.00 0.00 C ATOM 1160 O CYS A 79 -4.066 10.835 -3.640 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.325 8.683 -1.680 1.00 0.00 C ATOM 1162 SG CYS A 79 -3.563 9.533 -0.102 1.00 0.00 S ATOM 0 H CYS A 79 -3.513 8.211 -4.354 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.403 8.309 -2.072 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.065 7.643 -1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.477 9.132 -2.198 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.810 10.592 -0.062 1.00 0.00 H new ATOM 1168 N VAL A 80 -6.034 10.636 -2.567 1.00 0.00 N ATOM 1169 CA VAL A 80 -6.459 11.999 -2.865 1.00 0.00 C ATOM 1170 C VAL A 80 -6.689 12.795 -1.586 1.00 0.00 C ATOM 1171 O VAL A 80 -7.385 12.341 -0.676 1.00 0.00 O ATOM 1172 CB VAL A 80 -7.750 12.013 -3.705 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -8.039 13.416 -4.217 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -7.646 11.027 -4.858 1.00 0.00 C ATOM 0 H VAL A 80 -6.705 10.094 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.656 12.463 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.580 11.706 -3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.955 13.406 -4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.160 14.094 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.210 13.755 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.567 11.050 -5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.806 11.301 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.491 10.022 -4.465 1.00 0.00 H new ATOM 1184 N CYS A 81 -6.102 13.985 -1.522 1.00 0.00 N ATOM 1185 CA CYS A 81 -6.242 14.846 -0.353 1.00 0.00 C ATOM 1186 C CYS A 81 -7.049 16.095 -0.691 1.00 0.00 C ATOM 1187 O CYS A 81 -7.932 16.500 0.064 1.00 0.00 O ATOM 1188 CB CYS A 81 -4.866 15.242 0.182 1.00 0.00 C ATOM 1189 SG CYS A 81 -4.920 16.375 1.591 1.00 0.00 S ATOM 0 H CYS A 81 -5.524 14.376 -2.266 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.776 14.288 0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.329 14.340 0.475 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.295 15.706 -0.622 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.126 16.842 1.726 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.739 16.703 -1.833 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.443 17.901 -2.250 1.00 0.00 C ATOM 1197 C GLY A 82 -7.354 18.135 -3.745 1.00 0.00 C ATOM 1198 O GLY A 82 -8.295 17.843 -4.482 1.00 0.00 O ATOM 0 H GLY A 82 -6.013 16.387 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.491 17.823 -1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.030 18.763 -1.725 1.00 0.00 H new ATOM 1202 N GLN A 83 -6.220 18.663 -4.193 1.00 0.00 N ATOM 1203 CA GLN A 83 -6.013 18.938 -5.610 1.00 0.00 C ATOM 1204 C GLN A 83 -5.040 17.936 -6.223 1.00 0.00 C ATOM 1205 O GLN A 83 -5.139 17.604 -7.403 1.00 0.00 O ATOM 1206 CB GLN A 83 -5.485 20.361 -5.803 1.00 0.00 C ATOM 1207 CG GLN A 83 -6.549 21.433 -5.629 1.00 0.00 C ATOM 1208 CD GLN A 83 -7.257 21.770 -6.927 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -6.637 21.821 -7.990 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -8.562 22.002 -6.847 1.00 0.00 N ATOM 0 H GLN A 83 -5.431 18.909 -3.596 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.973 18.841 -6.117 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.680 20.541 -5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.053 20.447 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.282 21.096 -4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.088 22.335 -5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.035 21.949 -5.945 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.091 22.233 -7.688 1.00 0.00 H new ATOM 1219 N GLU A 84 -4.101 17.458 -5.412 1.00 0.00 N ATOM 1220 CA GLU A 84 -3.111 16.494 -5.876 1.00 0.00 C ATOM 1221 C GLU A 84 -3.584 15.065 -5.626 1.00 0.00 C ATOM 1222 O GLU A 84 -4.450 14.824 -4.786 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.771 16.729 -5.175 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.987 17.903 -5.738 1.00 0.00 C ATOM 1225 CD GLU A 84 -0.296 17.569 -7.046 1.00 0.00 C ATOM 1226 OE1 GLU A 84 0.562 16.662 -7.048 1.00 0.00 O ATOM 1227 OE2 GLU A 84 -0.612 18.216 -8.066 1.00 0.00 O ATOM 0 H GLU A 84 -4.006 17.723 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.981 16.633 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.951 16.899 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.165 15.826 -5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.662 18.745 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.242 18.221 -5.009 1.00 0.00 H new ATOM 1234 N ARG A 85 -3.009 14.120 -6.364 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.373 12.715 -6.225 1.00 0.00 C ATOM 1236 C ARG A 85 -2.217 11.811 -6.643 1.00 0.00 C ATOM 1237 O ARG A 85 -1.571 12.043 -7.666 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.611 12.401 -7.066 1.00 0.00 C ATOM 1239 CG ARG A 85 -4.802 10.918 -7.339 1.00 0.00 C ATOM 1240 CD ARG A 85 -5.913 10.676 -8.348 1.00 0.00 C ATOM 1241 NE ARG A 85 -5.455 10.863 -9.722 1.00 0.00 N ATOM 1242 CZ ARG A 85 -6.119 10.422 -10.785 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -7.264 9.772 -10.632 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -5.637 10.631 -12.004 1.00 0.00 N ATOM 0 H ARG A 85 -2.290 14.302 -7.064 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.599 12.526 -5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.494 12.784 -6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.538 12.930 -8.016 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.871 10.493 -7.713 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.036 10.403 -6.408 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.297 9.663 -8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.741 11.356 -8.146 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.577 11.359 -9.874 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.637 9.609 -9.697 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.772 9.434 -11.450 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.756 11.131 -12.125 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.148 10.292 -12.819 1.00 0.00 H new ATOM 1258 N THR A 86 -1.962 10.778 -5.846 1.00 0.00 N ATOM 1259 CA THR A 86 -0.884 9.840 -6.132 1.00 0.00 C ATOM 1260 C THR A 86 -1.428 8.438 -6.384 1.00 0.00 C ATOM 1261 O THR A 86 -2.574 8.138 -6.051 1.00 0.00 O ATOM 1262 CB THR A 86 0.133 9.783 -4.976 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.217 8.913 -5.320 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.529 9.296 -3.696 1.00 0.00 C ATOM 0 H THR A 86 -2.488 10.570 -4.997 1.00 0.00 H new ATOM 0 HA THR A 86 -0.382 10.200 -7.030 1.00 0.00 H new ATOM 0 HB THR A 86 0.515 10.790 -4.808 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.061 9.303 -5.009 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.209 9.264 -2.894 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.334 9.977 -3.421 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.936 8.297 -3.854 1.00 0.00 H new ATOM 1272 N SER A 87 -0.598 7.584 -6.975 1.00 0.00 N ATOM 1273 CA SER A 87 -0.997 6.214 -7.275 1.00 0.00 C ATOM 1274 C SER A 87 0.187 5.261 -7.139 1.00 0.00 C ATOM 1275 O SER A 87 1.343 5.673 -7.232 1.00 0.00 O ATOM 1276 CB SER A 87 -1.577 6.127 -8.687 1.00 0.00 C ATOM 1277 OG SER A 87 -2.536 7.147 -8.908 1.00 0.00 O ATOM 0 H SER A 87 0.355 7.817 -7.255 1.00 0.00 H new ATOM 0 HA SER A 87 -1.762 5.919 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.774 6.213 -9.419 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.039 5.151 -8.834 1.00 0.00 H new ATOM 0 HG SER A 87 -2.891 7.071 -9.818 1.00 0.00 H new ATOM 1283 N ALA A 88 -0.111 3.985 -6.919 1.00 0.00 N ATOM 1284 CA ALA A 88 0.927 2.972 -6.773 1.00 0.00 C ATOM 1285 C ALA A 88 0.358 1.571 -6.965 1.00 0.00 C ATOM 1286 O ALA A 88 -0.796 1.305 -6.624 1.00 0.00 O ATOM 1287 CB ALA A 88 1.593 3.092 -5.410 1.00 0.00 C ATOM 0 H ALA A 88 -1.063 3.628 -6.838 1.00 0.00 H new ATOM 0 HA ALA A 88 1.676 3.140 -7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.366 2.330 -5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.043 4.080 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.847 2.953 -4.627 1.00 0.00 H new ATOM 1293 N THR A 89 1.173 0.675 -7.513 1.00 0.00 N ATOM 1294 CA THR A 89 0.750 -0.699 -7.752 1.00 0.00 C ATOM 1295 C THR A 89 1.034 -1.580 -6.541 1.00 0.00 C ATOM 1296 O THR A 89 2.073 -1.447 -5.893 1.00 0.00 O ATOM 1297 CB THR A 89 1.455 -1.297 -8.984 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.252 -0.454 -10.123 1.00 0.00 O ATOM 1299 CG2 THR A 89 0.932 -2.695 -9.281 1.00 0.00 C ATOM 0 H THR A 89 2.131 0.877 -7.800 1.00 0.00 H new ATOM 0 HA THR A 89 -0.324 -0.672 -7.934 1.00 0.00 H new ATOM 0 HB THR A 89 2.521 -1.363 -8.768 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.705 -0.841 -10.901 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.444 -3.097 -10.155 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.116 -3.342 -8.423 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.139 -2.649 -9.478 1.00 0.00 H new ATOM 1307 N LEU A 90 0.104 -2.480 -6.239 1.00 0.00 N ATOM 1308 CA LEU A 90 0.254 -3.384 -5.105 1.00 0.00 C ATOM 1309 C LEU A 90 0.291 -4.837 -5.568 1.00 0.00 C ATOM 1310 O LEU A 90 -0.578 -5.285 -6.316 1.00 0.00 O ATOM 1311 CB LEU A 90 -0.892 -3.183 -4.112 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.807 -3.991 -2.816 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -1.482 -3.244 -1.676 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -1.434 -5.365 -3.002 1.00 0.00 C ATOM 0 H LEU A 90 -0.762 -2.603 -6.764 1.00 0.00 H new ATOM 0 HA LEU A 90 1.199 -3.155 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.942 -2.125 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.828 -3.433 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 90 0.244 -4.125 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.412 -3.834 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.988 -2.284 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.531 -3.078 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.364 -5.926 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.482 -5.252 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.905 -5.903 -3.789 1.00 0.00 H new ATOM 1326 N THR A 91 1.304 -5.571 -5.117 1.00 0.00 N ATOM 1327 CA THR A 91 1.454 -6.974 -5.484 1.00 0.00 C ATOM 1328 C THR A 91 1.157 -7.887 -4.300 1.00 0.00 C ATOM 1329 O THR A 91 1.567 -7.611 -3.172 1.00 0.00 O ATOM 1330 CB THR A 91 2.874 -7.270 -6.002 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.143 -6.486 -7.170 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.034 -8.747 -6.329 1.00 0.00 C ATOM 0 H THR A 91 2.033 -5.217 -4.497 1.00 0.00 H new ATOM 0 HA THR A 91 0.736 -7.171 -6.280 1.00 0.00 H new ATOM 0 HB THR A 91 3.585 -7.009 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.048 -6.679 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.045 -8.932 -6.693 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.858 -9.340 -5.431 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.314 -9.030 -7.097 1.00 0.00 H new ATOM 1340 N VAL A 92 0.442 -8.976 -4.563 1.00 0.00 N ATOM 1341 CA VAL A 92 0.091 -9.931 -3.519 1.00 0.00 C ATOM 1342 C VAL A 92 0.425 -11.357 -3.944 1.00 0.00 C ATOM 1343 O VAL A 92 -0.290 -11.960 -4.744 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.405 -9.850 -3.163 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -1.745 -10.834 -2.055 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.780 -8.431 -2.761 1.00 0.00 C ATOM 0 H VAL A 92 0.094 -9.219 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 92 0.680 -9.669 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.986 -10.119 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.806 -10.762 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.515 -11.847 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.158 -10.599 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.841 -8.391 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.193 -8.131 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.576 -7.752 -3.589 1.00 0.00 H new ATOM 1356 N ARG A 93 1.515 -11.890 -3.403 1.00 0.00 N ATOM 1357 CA ARG A 93 1.944 -13.246 -3.726 1.00 0.00 C ATOM 1358 C ARG A 93 1.043 -14.276 -3.052 1.00 0.00 C ATOM 1359 O ARG A 93 1.035 -14.403 -1.828 1.00 0.00 O ATOM 1360 CB ARG A 93 3.396 -13.461 -3.294 1.00 0.00 C ATOM 1361 CG ARG A 93 4.376 -12.504 -3.953 1.00 0.00 C ATOM 1362 CD ARG A 93 5.815 -12.858 -3.612 1.00 0.00 C ATOM 1363 NE ARG A 93 6.346 -13.895 -4.492 1.00 0.00 N ATOM 1364 CZ ARG A 93 7.622 -14.267 -4.504 1.00 0.00 C ATOM 1365 NH1 ARG A 93 8.491 -13.689 -3.686 1.00 0.00 N ATOM 1366 NH2 ARG A 93 8.030 -15.218 -5.334 1.00 0.00 N ATOM 0 H ARG A 93 2.118 -11.404 -2.739 1.00 0.00 H new ATOM 0 HA ARG A 93 1.871 -13.376 -4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.464 -13.349 -2.212 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.688 -14.485 -3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.240 -12.530 -5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.164 -11.485 -3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.436 -11.965 -3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.870 -13.197 -2.578 1.00 0.00 H new ATOM 0 HE ARG A 93 5.702 -14.359 -5.133 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.181 -12.958 -3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.470 -13.976 -3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.364 -15.665 -5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.010 -15.502 -5.342 1.00 0.00 H new ATOM 1380 N ALA A 94 0.285 -15.011 -3.860 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.618 -16.031 -3.343 1.00 0.00 C ATOM 1382 C ALA A 94 0.148 -17.106 -2.580 1.00 0.00 C ATOM 1383 O ALA A 94 1.060 -17.735 -3.120 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.416 -16.654 -4.478 1.00 0.00 C ATOM 0 H ALA A 94 0.279 -14.918 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.308 -15.552 -2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.086 -17.414 -4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.001 -15.882 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.734 -17.113 -5.193 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.225 -17.312 -1.322 1.00 0.00 N ATOM 1391 CA LEU A 95 0.428 -18.312 -0.484 1.00 0.00 C ATOM 1392 C LEU A 95 0.515 -19.654 -1.204 1.00 0.00 C ATOM 1393 O LEU A 95 -0.384 -20.046 -1.949 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.331 -18.476 0.834 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.155 -17.351 1.854 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.330 -17.316 2.819 1.00 0.00 C ATOM 1397 CD2 LEU A 95 1.154 -17.517 2.611 1.00 0.00 C ATOM 0 H LEU A 95 -0.976 -16.800 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 95 1.440 -17.968 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.393 -18.572 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.017 -19.412 1.297 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.124 -16.403 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.187 -16.509 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.252 -17.148 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.394 -18.266 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.262 -16.707 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.152 -18.473 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.987 -17.490 1.908 1.00 0.00 H new