USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 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 22 THR OG1 : rot 118:sc= 1.33 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 1.09 USER MOD Single : A 9 TYR OH : rot 51:sc= 0.565 USER MOD Single : A 12 TYR OH : rot 21:sc= 1.21 USER MOD Single : A 15 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.057) USER MOD Single : A 17 GLN : amide:sc= -1.18! X(o=-1.2!,f=-0.73) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.0511 X(o=0.051,f=-0.032) USER MOD Single : A 30 SER OG : rot -19:sc= 0.469 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00142 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 59 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 61 SER OG : rot 180:sc= -0.192 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -22:sc= -1.04 USER MOD Single : A 79 CYS SG : rot 73:sc= 0.623 USER MOD Single : A 85 THR OG1 : rot 108:sc= 1.24 USER MOD Single : A 91 GLN : amide:sc= 0.95 K(o=0.95,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 8 7.002 11.851 2.414 1.00 0.00 N ATOM 77 CA GLU A 8 5.683 12.346 2.816 1.00 0.00 C ATOM 78 C GLU A 8 4.680 11.205 3.023 1.00 0.00 C ATOM 79 O GLU A 8 3.479 11.439 3.133 1.00 0.00 O ATOM 80 CB GLU A 8 5.230 13.384 1.781 1.00 0.00 C ATOM 81 CG GLU A 8 4.345 14.462 2.420 1.00 0.00 C ATOM 82 CD GLU A 8 4.170 15.684 1.531 1.00 0.00 C ATOM 83 OE1 GLU A 8 5.143 16.469 1.394 1.00 0.00 O ATOM 84 OE2 GLU A 8 3.038 15.923 1.049 1.00 0.00 O ATOM 0 HA GLU A 8 5.742 12.831 3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.103 13.851 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.681 12.887 0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.366 14.037 2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.783 14.769 3.370 1.00 0.00 H new ATOM 91 N TYR A 9 5.167 9.963 3.057 1.00 0.00 N ATOM 92 CA TYR A 9 4.326 8.772 3.105 1.00 0.00 C ATOM 93 C TYR A 9 3.430 8.781 4.344 1.00 0.00 C ATOM 94 O TYR A 9 2.228 8.547 4.237 1.00 0.00 O ATOM 95 CB TYR A 9 5.184 7.496 3.109 1.00 0.00 C ATOM 96 CG TYR A 9 6.294 7.379 2.071 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.013 7.482 0.696 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.595 7.045 2.485 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.037 7.384 -0.267 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.609 6.848 1.536 1.00 0.00 C ATOM 101 CZ TYR A 9 8.343 7.046 0.160 1.00 0.00 C ATOM 102 OH TYR A 9 9.351 6.881 -0.737 1.00 0.00 O ATOM 0 H TYR A 9 6.166 9.757 3.052 1.00 0.00 H new ATOM 0 HA TYR A 9 3.699 8.781 2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.638 7.401 4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.516 6.644 2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.994 7.639 0.373 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.815 6.940 3.537 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.829 7.564 -1.311 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.595 6.545 1.856 1.00 0.00 H new ATOM 0 HH TYR A 9 9.392 7.660 -1.330 1.00 0.00 H new ATOM 112 N GLY A 10 4.000 9.058 5.518 1.00 0.00 N ATOM 113 CA GLY A 10 3.301 8.995 6.791 1.00 0.00 C ATOM 114 C GLY A 10 2.254 10.097 6.943 1.00 0.00 C ATOM 115 O GLY A 10 1.361 10.002 7.785 1.00 0.00 O ATOM 0 H GLY A 10 4.977 9.337 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.817 8.023 6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.025 9.072 7.603 1.00 0.00 H new ATOM 119 N ARG A 11 2.329 11.142 6.113 1.00 0.00 N ATOM 120 CA ARG A 11 1.334 12.213 6.074 1.00 0.00 C ATOM 121 C ARG A 11 0.046 11.757 5.390 1.00 0.00 C ATOM 122 O ARG A 11 -0.944 12.493 5.375 1.00 0.00 O ATOM 123 CB ARG A 11 1.914 13.426 5.335 1.00 0.00 C ATOM 124 CG ARG A 11 3.330 13.801 5.806 1.00 0.00 C ATOM 125 CD ARG A 11 3.517 15.315 5.886 1.00 0.00 C ATOM 126 NE ARG A 11 2.820 15.846 7.067 1.00 0.00 N ATOM 127 CZ ARG A 11 2.098 16.965 7.143 1.00 0.00 C ATOM 128 NH1 ARG A 11 1.969 17.757 6.080 1.00 0.00 N ATOM 129 NH2 ARG A 11 1.541 17.302 8.299 1.00 0.00 N ATOM 0 H ARG A 11 3.089 11.267 5.445 1.00 0.00 H new ATOM 0 HA ARG A 11 1.089 12.486 7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.937 13.215 4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.252 14.281 5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.517 13.359 6.785 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.065 13.379 5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.579 15.556 5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.130 15.786 4.983 1.00 0.00 H new ATOM 0 HE ARG A 11 2.897 15.297 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.424 17.509 5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.415 18.611 6.145 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.667 16.708 9.118 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.987 18.156 8.368 1.00 0.00 H new ATOM 143 N TYR A 12 0.068 10.588 4.752 1.00 0.00 N ATOM 144 CA TYR A 12 -1.038 10.018 4.008 1.00 0.00 C ATOM 145 C TYR A 12 -1.441 8.668 4.596 1.00 0.00 C ATOM 146 O TYR A 12 -2.630 8.353 4.657 1.00 0.00 O ATOM 147 CB TYR A 12 -0.620 9.801 2.549 1.00 0.00 C ATOM 148 CG TYR A 12 0.080 10.918 1.801 1.00 0.00 C ATOM 149 CD1 TYR A 12 0.025 12.271 2.183 1.00 0.00 C ATOM 150 CD2 TYR A 12 0.836 10.549 0.684 1.00 0.00 C ATOM 151 CE1 TYR A 12 0.764 13.245 1.490 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.500 11.523 -0.071 1.00 0.00 C ATOM 153 CZ TYR A 12 1.508 12.870 0.353 1.00 0.00 C ATOM 154 OH TYR A 12 2.172 13.802 -0.378 1.00 0.00 O ATOM 0 H TYR A 12 0.896 9.992 4.743 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.880 10.708 4.066 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.034 8.930 2.522 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.517 9.543 1.987 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.593 12.565 3.019 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.908 9.509 0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.762 14.272 1.826 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.008 11.243 -0.982 1.00 0.00 H new ATOM 0 HH TYR A 12 2.326 14.599 0.171 1.00 0.00 H new ATOM 164 N PHE A 13 -0.458 7.853 4.977 1.00 0.00 N ATOM 165 CA PHE A 13 -0.657 6.535 5.536 1.00 0.00 C ATOM 166 C PHE A 13 -0.479 6.671 7.041 1.00 0.00 C ATOM 167 O PHE A 13 0.628 6.836 7.562 1.00 0.00 O ATOM 168 CB PHE A 13 0.318 5.535 4.916 1.00 0.00 C ATOM 169 CG PHE A 13 0.340 5.512 3.393 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.806 5.136 2.669 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.504 5.873 2.688 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.779 5.099 1.263 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.527 5.862 1.280 1.00 0.00 C ATOM 174 CZ PHE A 13 0.384 5.461 0.567 1.00 0.00 C ATOM 0 H PHE A 13 0.526 8.109 4.899 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.652 6.148 5.317 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.322 5.760 5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.068 4.537 5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.712 4.874 3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.390 6.162 3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.658 4.790 0.717 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.419 6.161 0.750 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.401 5.432 -0.512 1.00 0.00 H new ATOM 184 N GLU A 14 -1.607 6.644 7.725 1.00 0.00 N ATOM 185 CA GLU A 14 -1.678 6.535 9.171 1.00 0.00 C ATOM 186 C GLU A 14 -1.556 5.046 9.513 1.00 0.00 C ATOM 187 O GLU A 14 -1.823 4.174 8.691 1.00 0.00 O ATOM 188 CB GLU A 14 -2.979 7.206 9.638 1.00 0.00 C ATOM 189 CG GLU A 14 -3.050 7.704 11.087 1.00 0.00 C ATOM 190 CD GLU A 14 -3.019 6.569 12.092 1.00 0.00 C ATOM 191 OE1 GLU A 14 -3.839 5.642 11.949 1.00 0.00 O ATOM 192 OE2 GLU A 14 -2.070 6.534 12.909 1.00 0.00 O ATOM 0 H GLU A 14 -2.523 6.699 7.280 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.874 7.050 9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.171 8.056 8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.793 6.497 9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.214 8.377 11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.963 8.283 11.225 1.00 0.00 H new ATOM 199 N GLN A 15 -1.134 4.762 10.731 1.00 0.00 N ATOM 200 CA GLN A 15 -0.815 3.443 11.272 1.00 0.00 C ATOM 201 C GLN A 15 -1.987 2.471 11.319 1.00 0.00 C ATOM 202 O GLN A 15 -1.775 1.278 11.518 1.00 0.00 O ATOM 203 CB GLN A 15 -0.203 3.680 12.654 1.00 0.00 C ATOM 204 CG GLN A 15 0.543 2.447 13.180 1.00 0.00 C ATOM 205 CD GLN A 15 1.809 2.759 13.985 1.00 0.00 C ATOM 206 OE1 GLN A 15 2.136 2.094 14.961 1.00 0.00 O ATOM 207 NE2 GLN A 15 2.645 3.697 13.560 1.00 0.00 N ATOM 0 H GLN A 15 -0.993 5.498 11.423 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.116 2.944 10.601 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.485 4.524 12.604 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.991 3.952 13.356 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.136 1.868 13.806 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.813 1.815 12.334 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.402 4.268 12.750 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.531 3.848 14.043 1.00 0.00 H new ATOM 216 N LEU A 16 -3.208 2.956 11.175 1.00 0.00 N ATOM 217 CA LEU A 16 -4.428 2.170 11.307 1.00 0.00 C ATOM 218 C LEU A 16 -5.338 2.346 10.081 1.00 0.00 C ATOM 219 O LEU A 16 -6.445 1.801 10.047 1.00 0.00 O ATOM 220 CB LEU A 16 -5.142 2.557 12.611 1.00 0.00 C ATOM 221 CG LEU A 16 -4.433 2.084 13.891 1.00 0.00 C ATOM 222 CD1 LEU A 16 -3.160 2.818 14.253 1.00 0.00 C ATOM 223 CD2 LEU A 16 -5.424 2.140 15.062 1.00 0.00 C ATOM 0 H LEU A 16 -3.386 3.936 10.957 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.171 1.112 11.353 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.243 3.642 12.647 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.150 2.143 12.595 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.107 1.065 13.682 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.748 2.400 15.172 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.435 2.708 13.447 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.379 3.875 14.402 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.929 1.806 15.974 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.774 3.164 15.193 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.273 1.490 14.851 1.00 0.00 H new ATOM 235 N GLN A 17 -4.887 3.114 9.081 1.00 0.00 N ATOM 236 CA GLN A 17 -5.621 3.396 7.847 1.00 0.00 C ATOM 237 C GLN A 17 -5.691 2.167 6.936 1.00 0.00 C ATOM 238 O GLN A 17 -5.120 1.118 7.220 1.00 0.00 O ATOM 239 CB GLN A 17 -4.958 4.582 7.111 1.00 0.00 C ATOM 240 CG GLN A 17 -5.823 5.844 7.189 1.00 0.00 C ATOM 241 CD GLN A 17 -5.166 7.011 6.475 1.00 0.00 C ATOM 242 OE1 GLN A 17 -4.771 7.995 7.085 1.00 0.00 O ATOM 243 NE2 GLN A 17 -5.010 6.937 5.167 1.00 0.00 N ATOM 0 H GLN A 17 -3.974 3.568 9.112 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.645 3.660 8.111 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.980 4.782 7.548 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.792 4.317 6.067 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.798 5.646 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.995 6.105 8.233 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.340 6.116 4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.560 7.701 4.663 1.00 0.00 H new ATOM 252 N LYS A 18 -6.359 2.304 5.792 1.00 0.00 N ATOM 253 CA LYS A 18 -6.388 1.305 4.729 1.00 0.00 C ATOM 254 C LYS A 18 -5.569 1.775 3.544 1.00 0.00 C ATOM 255 O LYS A 18 -5.391 2.977 3.335 1.00 0.00 O ATOM 256 CB LYS A 18 -7.836 1.069 4.290 1.00 0.00 C ATOM 257 CG LYS A 18 -8.535 0.091 5.235 1.00 0.00 C ATOM 258 CD LYS A 18 -9.344 0.773 6.334 1.00 0.00 C ATOM 259 CE LYS A 18 -10.839 0.692 6.029 1.00 0.00 C ATOM 260 NZ LYS A 18 -11.257 1.472 4.838 1.00 0.00 N ATOM 0 H LYS A 18 -6.909 3.135 5.575 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.962 0.375 5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.375 2.016 4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.854 0.676 3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.197 -0.551 4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.786 -0.555 5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.137 0.299 7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.041 1.816 6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.113 -0.353 5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.396 1.047 6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.282 1.367 4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.028 2.476 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.754 1.120 3.998 1.00 0.00 H new ATOM 274 N VAL A 19 -5.134 0.816 2.733 1.00 0.00 N ATOM 275 CA VAL A 19 -4.552 1.036 1.415 1.00 0.00 C ATOM 276 C VAL A 19 -5.076 -0.040 0.459 1.00 0.00 C ATOM 277 O VAL A 19 -5.315 -1.173 0.887 1.00 0.00 O ATOM 278 CB VAL A 19 -3.013 1.048 1.506 1.00 0.00 C ATOM 279 CG1 VAL A 19 -2.530 2.310 2.230 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.411 -0.186 2.204 1.00 0.00 C ATOM 0 H VAL A 19 -5.179 -0.171 2.985 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.848 2.010 1.024 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.665 1.031 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.441 2.303 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.860 3.193 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.945 2.333 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.325 -0.098 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.790 -0.248 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.691 -1.086 1.657 1.00 0.00 H new ATOM 290 N ASN A 20 -5.276 0.285 -0.824 1.00 0.00 N ATOM 291 CA ASN A 20 -5.525 -0.720 -1.849 1.00 0.00 C ATOM 292 C ASN A 20 -4.282 -1.593 -2.016 1.00 0.00 C ATOM 293 O ASN A 20 -3.175 -1.112 -1.778 1.00 0.00 O ATOM 294 CB ASN A 20 -5.850 -0.039 -3.190 1.00 0.00 C ATOM 295 CG ASN A 20 -6.578 -0.977 -4.148 1.00 0.00 C ATOM 296 OD1 ASN A 20 -6.317 -0.946 -5.346 1.00 0.00 O ATOM 297 ND2 ASN A 20 -7.517 -1.779 -3.678 1.00 0.00 N ATOM 0 H ASN A 20 -5.269 1.244 -1.172 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.372 -1.335 -1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.465 0.842 -3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.926 0.307 -3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.036 -2.384 -4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.722 -1.793 -2.679 1.00 0.00 H new ATOM 304 N LEU A 21 -4.449 -2.844 -2.456 1.00 0.00 N ATOM 305 CA LEU A 21 -3.408 -3.872 -2.374 1.00 0.00 C ATOM 306 C LEU A 21 -3.098 -4.466 -3.749 1.00 0.00 C ATOM 307 O LEU A 21 -3.160 -5.682 -3.912 1.00 0.00 O ATOM 308 CB LEU A 21 -3.840 -4.994 -1.410 1.00 0.00 C ATOM 309 CG LEU A 21 -4.203 -4.599 0.020 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.609 -5.890 0.733 1.00 0.00 C ATOM 311 CD2 LEU A 21 -3.048 -3.913 0.752 1.00 0.00 C ATOM 0 H LEU A 21 -5.316 -3.173 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.503 -3.396 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.701 -5.499 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.032 -5.724 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.013 -3.870 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.880 -5.666 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.463 -6.335 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.774 -6.590 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.361 -3.654 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.194 -4.589 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.765 -3.007 0.216 1.00 0.00 H new ATOM 323 N THR A 22 -2.826 -3.650 -4.762 1.00 0.00 N ATOM 324 CA THR A 22 -2.571 -4.168 -6.102 1.00 0.00 C ATOM 325 C THR A 22 -1.269 -4.974 -6.121 1.00 0.00 C ATOM 326 O THR A 22 -0.187 -4.399 -5.962 1.00 0.00 O ATOM 327 CB THR A 22 -2.512 -3.042 -7.145 1.00 0.00 C ATOM 328 OG1 THR A 22 -2.745 -1.758 -6.587 1.00 0.00 O ATOM 329 CG2 THR A 22 -3.484 -3.327 -8.285 1.00 0.00 C ATOM 0 H THR A 22 -2.777 -2.634 -4.682 1.00 0.00 H new ATOM 0 HA THR A 22 -3.402 -4.822 -6.366 1.00 0.00 H new ATOM 0 HB THR A 22 -1.495 -3.024 -7.538 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.953 -1.196 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.432 -2.521 -9.017 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.218 -4.270 -8.763 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.498 -3.394 -7.890 1.00 0.00 H new ATOM 337 N VAL A 23 -1.354 -6.286 -6.334 1.00 0.00 N ATOM 338 CA VAL A 23 -0.219 -7.182 -6.487 1.00 0.00 C ATOM 339 C VAL A 23 -0.174 -7.713 -7.924 1.00 0.00 C ATOM 340 O VAL A 23 -1.020 -8.510 -8.323 1.00 0.00 O ATOM 341 CB VAL A 23 -0.267 -8.322 -5.451 1.00 0.00 C ATOM 342 CG1 VAL A 23 1.099 -9.008 -5.419 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.572 -7.855 -4.023 1.00 0.00 C ATOM 0 H VAL A 23 -2.250 -6.768 -6.407 1.00 0.00 H new ATOM 0 HA VAL A 23 0.701 -6.629 -6.299 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.074 -8.985 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.082 -9.818 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.326 -9.412 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.864 -8.283 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.588 -8.716 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.198 -7.156 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.543 -7.360 -4.002 1.00 0.00 H new ATOM 353 N ARG A 24 0.810 -7.273 -8.709 1.00 0.00 N ATOM 354 CA ARG A 24 1.114 -7.743 -10.047 1.00 0.00 C ATOM 355 C ARG A 24 1.493 -9.222 -10.006 1.00 0.00 C ATOM 356 O ARG A 24 2.389 -9.594 -9.240 1.00 0.00 O ATOM 357 CB ARG A 24 2.277 -6.874 -10.549 1.00 0.00 C ATOM 358 CG ARG A 24 2.734 -7.282 -11.942 1.00 0.00 C ATOM 359 CD ARG A 24 3.834 -6.364 -12.471 1.00 0.00 C ATOM 360 NE ARG A 24 3.982 -6.454 -13.931 1.00 0.00 N ATOM 361 CZ ARG A 24 4.681 -5.582 -14.672 1.00 0.00 C ATOM 362 NH1 ARG A 24 5.458 -4.661 -14.107 1.00 0.00 N ATOM 363 NH2 ARG A 24 4.618 -5.643 -15.993 1.00 0.00 N ATOM 0 H ARG A 24 1.448 -6.538 -8.404 1.00 0.00 H new ATOM 0 HA ARG A 24 0.258 -7.658 -10.717 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.970 -5.828 -10.560 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.114 -6.953 -9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.098 -8.309 -11.918 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.884 -7.261 -12.624 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.609 -5.334 -12.194 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.780 -6.623 -11.996 1.00 0.00 H new ATOM 0 HE ARG A 24 3.524 -7.229 -14.411 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.531 -4.609 -13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.981 -4.008 -14.690 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.039 -6.352 -16.444 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.148 -4.981 -16.560 1.00 0.00 H new ATOM 377 N LEU A 25 0.890 -10.050 -10.855 1.00 0.00 N ATOM 378 CA LEU A 25 1.193 -11.474 -10.978 1.00 0.00 C ATOM 379 C LEU A 25 1.737 -11.744 -12.374 1.00 0.00 C ATOM 380 O LEU A 25 1.223 -12.588 -13.115 1.00 0.00 O ATOM 381 CB LEU A 25 -0.039 -12.337 -10.667 1.00 0.00 C ATOM 382 CG LEU A 25 -0.662 -12.109 -9.283 1.00 0.00 C ATOM 383 CD1 LEU A 25 -1.869 -13.036 -9.113 1.00 0.00 C ATOM 384 CD2 LEU A 25 0.362 -12.310 -8.168 1.00 0.00 C ATOM 0 H LEU A 25 0.157 -9.741 -11.494 1.00 0.00 H new ATOM 0 HA LEU A 25 1.952 -11.748 -10.245 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.798 -12.146 -11.426 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.241 -13.387 -10.754 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.999 -11.075 -9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.314 -12.877 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.607 -12.818 -9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.546 -14.073 -9.201 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.114 -12.141 -7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.749 -13.328 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.183 -11.605 -8.297 1.00 0.00 H new ATOM 436 N SER A 30 -3.233 -10.198 -11.777 1.00 0.00 N ATOM 437 CA SER A 30 -3.015 -9.384 -10.596 1.00 0.00 C ATOM 438 C SER A 30 -3.945 -9.887 -9.488 1.00 0.00 C ATOM 439 O SER A 30 -4.731 -10.821 -9.691 1.00 0.00 O ATOM 440 CB SER A 30 -3.182 -7.885 -10.908 1.00 0.00 C ATOM 441 OG SER A 30 -3.940 -7.625 -12.076 1.00 0.00 O ATOM 0 HA SER A 30 -1.987 -9.483 -10.248 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.662 -7.398 -10.059 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.196 -7.434 -11.018 1.00 0.00 H new ATOM 0 HG SER A 30 -3.961 -8.428 -12.638 1.00 0.00 H new ATOM 447 N PHE A 31 -3.841 -9.291 -8.307 1.00 0.00 N ATOM 448 CA PHE A 31 -4.808 -9.360 -7.227 1.00 0.00 C ATOM 449 C PHE A 31 -4.921 -7.943 -6.688 1.00 0.00 C ATOM 450 O PHE A 31 -3.939 -7.204 -6.728 1.00 0.00 O ATOM 451 CB PHE A 31 -4.283 -10.314 -6.149 1.00 0.00 C ATOM 452 CG PHE A 31 -5.145 -10.434 -4.906 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.190 -11.377 -4.865 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.878 -9.633 -3.775 1.00 0.00 C ATOM 455 CE1 PHE A 31 -6.959 -11.526 -3.699 1.00 0.00 C ATOM 456 CE2 PHE A 31 -5.654 -9.777 -2.611 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.695 -10.723 -2.574 1.00 0.00 C ATOM 0 H PHE A 31 -3.034 -8.715 -8.067 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.780 -9.731 -7.553 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.171 -11.305 -6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.288 -9.984 -5.850 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.401 -11.987 -5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.077 -8.909 -3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.753 -12.257 -3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.451 -9.162 -1.747 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.292 -10.833 -1.681 1.00 0.00 H new ATOM 467 N ASP A 32 -6.068 -7.562 -6.142 1.00 0.00 N ATOM 468 CA ASP A 32 -6.244 -6.378 -5.350 1.00 0.00 C ATOM 469 C ASP A 32 -7.222 -6.699 -4.225 1.00 0.00 C ATOM 470 O ASP A 32 -8.169 -7.469 -4.403 1.00 0.00 O ATOM 471 CB ASP A 32 -6.687 -5.223 -6.241 1.00 0.00 C ATOM 472 CG ASP A 32 -8.159 -4.844 -6.117 1.00 0.00 C ATOM 473 OD1 ASP A 32 -8.991 -5.546 -6.738 1.00 0.00 O ATOM 474 OD2 ASP A 32 -8.466 -3.806 -5.484 1.00 0.00 O ATOM 0 H ASP A 32 -6.928 -8.099 -6.250 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.309 -6.057 -4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.081 -4.348 -6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.480 -5.484 -7.279 1.00 0.00 H new ATOM 479 N GLY A 33 -6.942 -6.153 -3.045 1.00 0.00 N ATOM 480 CA GLY A 33 -7.595 -6.542 -1.799 1.00 0.00 C ATOM 481 C GLY A 33 -7.760 -5.367 -0.844 1.00 0.00 C ATOM 482 O GLY A 33 -7.458 -4.220 -1.196 1.00 0.00 O ATOM 0 H GLY A 33 -6.245 -5.418 -2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.574 -6.967 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.011 -7.323 -1.313 1.00 0.00 H new ATOM 486 N THR A 34 -8.217 -5.662 0.375 1.00 0.00 N ATOM 487 CA THR A 34 -8.407 -4.700 1.453 1.00 0.00 C ATOM 488 C THR A 34 -7.673 -5.234 2.686 1.00 0.00 C ATOM 489 O THR A 34 -7.911 -6.367 3.119 1.00 0.00 O ATOM 490 CB THR A 34 -9.905 -4.458 1.741 1.00 0.00 C ATOM 491 OG1 THR A 34 -10.721 -4.705 0.607 1.00 0.00 O ATOM 492 CG2 THR A 34 -10.184 -3.013 2.145 1.00 0.00 C ATOM 0 H THR A 34 -8.473 -6.612 0.644 1.00 0.00 H new ATOM 0 HA THR A 34 -7.998 -3.731 1.167 1.00 0.00 H new ATOM 0 HB THR A 34 -10.143 -5.149 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.659 -4.541 0.837 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.250 -2.888 2.338 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.621 -2.772 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.881 -2.345 1.339 1.00 0.00 H new ATOM 500 N ALA A 35 -6.771 -4.425 3.234 1.00 0.00 N ATOM 501 CA ALA A 35 -6.043 -4.648 4.475 1.00 0.00 C ATOM 502 C ALA A 35 -5.997 -3.318 5.211 1.00 0.00 C ATOM 503 O ALA A 35 -5.998 -2.252 4.576 1.00 0.00 O ATOM 504 CB ALA A 35 -4.610 -5.138 4.220 1.00 0.00 C ATOM 0 H ALA A 35 -6.514 -3.541 2.794 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.547 -5.419 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.103 -5.292 5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.640 -6.078 3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.069 -4.393 3.637 1.00 0.00 H new ATOM 510 N ALA A 36 -5.961 -3.387 6.534 1.00 0.00 N ATOM 511 CA ALA A 36 -5.678 -2.247 7.383 1.00 0.00 C ATOM 512 C ALA A 36 -4.191 -2.259 7.727 1.00 0.00 C ATOM 513 O ALA A 36 -3.576 -3.322 7.739 1.00 0.00 O ATOM 514 CB ALA A 36 -6.537 -2.360 8.640 1.00 0.00 C ATOM 0 H ALA A 36 -6.130 -4.250 7.051 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.912 -1.308 6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.339 -1.510 9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.591 -2.366 8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.295 -3.285 9.164 1.00 0.00 H new ATOM 520 N ILE A 37 -3.626 -1.090 8.007 1.00 0.00 N ATOM 521 CA ILE A 37 -2.274 -0.901 8.504 1.00 0.00 C ATOM 522 C ILE A 37 -2.264 -1.300 9.991 1.00 0.00 C ATOM 523 O ILE A 37 -3.316 -1.363 10.633 1.00 0.00 O ATOM 524 CB ILE A 37 -1.837 0.559 8.191 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.918 0.843 6.666 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.396 0.887 8.631 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.884 2.324 6.281 1.00 0.00 C ATOM 0 H ILE A 37 -4.125 -0.208 7.887 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.532 -1.534 8.017 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.527 1.182 8.759 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.089 0.336 6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.837 0.403 6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.165 1.922 8.379 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.304 0.746 9.708 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.301 0.225 8.118 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.946 2.420 5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.729 2.839 6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.953 2.770 6.632 1.00 0.00 H new ATOM 539 N THR A 38 -1.083 -1.543 10.548 1.00 0.00 N ATOM 540 CA THR A 38 -0.856 -1.943 11.921 1.00 0.00 C ATOM 541 C THR A 38 0.360 -1.257 12.509 1.00 0.00 C ATOM 542 O THR A 38 0.311 -0.847 13.664 1.00 0.00 O ATOM 543 CB THR A 38 -0.740 -3.477 12.030 1.00 0.00 C ATOM 544 OG1 THR A 38 0.262 -3.974 11.161 1.00 0.00 O ATOM 545 CG2 THR A 38 -2.036 -4.210 11.669 1.00 0.00 C ATOM 0 H THR A 38 -0.214 -1.460 10.020 1.00 0.00 H new ATOM 0 HA THR A 38 -1.719 -1.625 12.507 1.00 0.00 H new ATOM 0 HB THR A 38 -0.497 -3.665 13.076 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.318 -4.948 11.249 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.885 -5.285 11.767 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.833 -3.893 12.342 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.313 -3.974 10.642 1.00 0.00 H new ATOM 553 N SER A 39 1.436 -1.130 11.740 1.00 0.00 N ATOM 554 CA SER A 39 2.648 -0.447 12.148 1.00 0.00 C ATOM 555 C SER A 39 3.092 0.391 10.949 1.00 0.00 C ATOM 556 O SER A 39 2.961 -0.048 9.807 1.00 0.00 O ATOM 557 CB SER A 39 3.716 -1.475 12.554 1.00 0.00 C ATOM 558 OG SER A 39 3.279 -2.323 13.606 1.00 0.00 O ATOM 0 H SER A 39 1.486 -1.510 10.795 1.00 0.00 H new ATOM 0 HA SER A 39 2.486 0.193 13.015 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.980 -2.082 11.688 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.620 -0.952 12.865 1.00 0.00 H new ATOM 0 HG SER A 39 3.989 -2.960 13.829 1.00 0.00 H new ATOM 564 N LEU A 40 3.680 1.566 11.159 1.00 0.00 N ATOM 565 CA LEU A 40 4.313 2.374 10.118 1.00 0.00 C ATOM 566 C LEU A 40 5.639 2.885 10.665 1.00 0.00 C ATOM 567 O LEU A 40 5.697 3.323 11.813 1.00 0.00 O ATOM 568 CB LEU A 40 3.412 3.546 9.685 1.00 0.00 C ATOM 569 CG LEU A 40 3.982 4.320 8.466 1.00 0.00 C ATOM 570 CD1 LEU A 40 3.252 3.930 7.182 1.00 0.00 C ATOM 571 CD2 LEU A 40 3.897 5.830 8.655 1.00 0.00 C ATOM 0 H LEU A 40 3.731 1.995 12.083 1.00 0.00 H new ATOM 0 HA LEU A 40 4.478 1.763 9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.421 3.165 9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.289 4.233 10.522 1.00 0.00 H new ATOM 0 HG LEU A 40 5.033 4.044 8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.670 4.486 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.372 2.861 7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.192 4.164 7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.307 6.330 7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.855 6.122 8.785 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.468 6.119 9.537 1.00 0.00 H new ATOM 583 N LYS A 41 6.685 2.870 9.842 1.00 0.00 N ATOM 584 CA LYS A 41 7.955 3.527 10.112 1.00 0.00 C ATOM 585 C LYS A 41 8.530 4.047 8.791 1.00 0.00 C ATOM 586 O LYS A 41 9.317 3.365 8.137 1.00 0.00 O ATOM 587 CB LYS A 41 8.881 2.562 10.870 1.00 0.00 C ATOM 588 CG LYS A 41 10.203 3.231 11.265 1.00 0.00 C ATOM 589 CD LYS A 41 10.952 2.382 12.299 1.00 0.00 C ATOM 590 CE LYS A 41 12.370 2.929 12.429 1.00 0.00 C ATOM 591 NZ LYS A 41 13.129 2.276 13.510 1.00 0.00 N ATOM 0 H LYS A 41 6.669 2.386 8.944 1.00 0.00 H new ATOM 0 HA LYS A 41 7.832 4.393 10.762 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.375 2.201 11.765 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.086 1.691 10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.825 3.369 10.381 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.007 4.222 11.674 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.441 2.417 13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.975 1.337 11.988 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.897 2.792 11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.326 4.002 12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.085 2.682 13.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.643 2.428 14.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.196 1.256 13.320 1.00 0.00 H new ATOM 605 N GLY A 42 8.151 5.266 8.411 1.00 0.00 N ATOM 606 CA GLY A 42 8.655 5.953 7.229 1.00 0.00 C ATOM 607 C GLY A 42 8.344 5.172 5.964 1.00 0.00 C ATOM 608 O GLY A 42 7.179 4.923 5.663 1.00 0.00 O ATOM 0 H GLY A 42 7.467 5.815 8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.210 6.946 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.732 6.092 7.318 1.00 0.00 H new ATOM 612 N SER A 43 9.370 4.753 5.222 1.00 0.00 N ATOM 613 CA SER A 43 9.255 3.869 4.066 1.00 0.00 C ATOM 614 C SER A 43 8.964 2.420 4.483 1.00 0.00 C ATOM 615 O SER A 43 9.537 1.482 3.928 1.00 0.00 O ATOM 616 CB SER A 43 10.526 3.980 3.217 1.00 0.00 C ATOM 617 OG SER A 43 11.714 3.737 3.962 1.00 0.00 O ATOM 0 H SER A 43 10.332 5.029 5.417 1.00 0.00 H new ATOM 0 HA SER A 43 8.404 4.184 3.462 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.469 3.270 2.392 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.577 4.976 2.777 1.00 0.00 H new ATOM 0 HG SER A 43 12.492 3.819 3.372 1.00 0.00 H new ATOM 623 N LEU A 44 8.170 2.205 5.521 1.00 0.00 N ATOM 624 CA LEU A 44 7.745 0.882 5.946 1.00 0.00 C ATOM 625 C LEU A 44 6.332 0.999 6.471 1.00 0.00 C ATOM 626 O LEU A 44 6.059 1.874 7.289 1.00 0.00 O ATOM 627 CB LEU A 44 8.684 0.317 7.023 1.00 0.00 C ATOM 628 CG LEU A 44 8.419 -1.168 7.346 1.00 0.00 C ATOM 629 CD1 LEU A 44 8.748 -2.069 6.148 1.00 0.00 C ATOM 630 CD2 LEU A 44 9.258 -1.592 8.551 1.00 0.00 C ATOM 0 H LEU A 44 7.798 2.957 6.100 1.00 0.00 H new ATOM 0 HA LEU A 44 7.780 0.191 5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.716 0.431 6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.575 0.905 7.934 1.00 0.00 H new ATOM 0 HG LEU A 44 7.359 -1.279 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.550 -3.109 6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.128 -1.784 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.800 -1.955 5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.068 -2.641 8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.315 -1.455 8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.990 -0.982 9.414 1.00 0.00 H new ATOM 642 N ALA A 45 5.465 0.075 6.076 1.00 0.00 N ATOM 643 CA ALA A 45 4.220 -0.186 6.766 1.00 0.00 C ATOM 644 C ALA A 45 4.130 -1.690 6.968 1.00 0.00 C ATOM 645 O ALA A 45 4.798 -2.445 6.260 1.00 0.00 O ATOM 646 CB ALA A 45 3.024 0.328 5.960 1.00 0.00 C ATOM 0 H ALA A 45 5.613 -0.517 5.259 1.00 0.00 H new ATOM 0 HA ALA A 45 4.198 0.335 7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.102 0.118 6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.121 1.403 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.996 -0.171 4.991 1.00 0.00 H new ATOM 652 N TRP A 46 3.252 -2.101 7.868 1.00 0.00 N ATOM 653 CA TRP A 46 2.746 -3.455 8.016 1.00 0.00 C ATOM 654 C TRP A 46 1.233 -3.399 7.878 1.00 0.00 C ATOM 655 O TRP A 46 0.632 -2.434 8.361 1.00 0.00 O ATOM 656 CB TRP A 46 3.144 -4.008 9.385 1.00 0.00 C ATOM 657 CG TRP A 46 4.525 -4.576 9.445 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.668 -3.940 9.797 1.00 0.00 C ATOM 659 CD2 TRP A 46 4.913 -5.922 9.066 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.733 -4.818 9.688 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.327 -6.036 9.182 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.202 -7.049 8.604 1.00 0.00 C ATOM 663 CZ2 TRP A 46 7.008 -7.199 8.800 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.875 -8.229 8.248 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.276 -8.297 8.316 1.00 0.00 C ATOM 0 H TRP A 46 2.851 -1.462 8.554 1.00 0.00 H new ATOM 0 HA TRP A 46 3.165 -4.113 7.255 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.060 -3.211 10.123 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.433 -4.783 9.671 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.738 -2.910 10.113 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.693 -4.594 9.948 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.126 -7.004 8.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.084 -7.251 8.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.311 -9.090 7.920 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.790 -9.192 7.997 1.00 0.00 H new ATOM 676 N LEU A 47 0.639 -4.393 7.207 1.00 0.00 N ATOM 677 CA LEU A 47 -0.795 -4.542 7.068 1.00 0.00 C ATOM 678 C LEU A 47 -1.275 -5.873 7.656 1.00 0.00 C ATOM 679 O LEU A 47 -0.485 -6.802 7.859 1.00 0.00 O ATOM 680 CB LEU A 47 -1.227 -4.521 5.591 1.00 0.00 C ATOM 681 CG LEU A 47 -0.628 -3.535 4.584 1.00 0.00 C ATOM 682 CD1 LEU A 47 -0.713 -2.073 5.022 1.00 0.00 C ATOM 683 CD2 LEU A 47 0.771 -3.899 4.101 1.00 0.00 C ATOM 0 H LEU A 47 1.166 -5.130 6.737 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.237 -3.702 7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.047 -5.521 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.306 -4.364 5.581 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.280 -3.637 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.268 -1.437 4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.758 -1.795 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.174 -1.942 5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.118 -3.148 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.451 -3.936 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.746 -4.874 3.614 1.00 0.00 H new ATOM 695 N GLU A 48 -2.590 -5.999 7.816 1.00 0.00 N ATOM 696 CA GLU A 48 -3.325 -7.241 8.005 1.00 0.00 C ATOM 697 C GLU A 48 -4.599 -7.178 7.161 1.00 0.00 C ATOM 698 O GLU A 48 -5.324 -6.178 7.175 1.00 0.00 O ATOM 699 CB GLU A 48 -3.535 -7.520 9.501 1.00 0.00 C ATOM 700 CG GLU A 48 -4.501 -6.553 10.197 1.00 0.00 C ATOM 701 CD GLU A 48 -4.580 -6.751 11.721 1.00 0.00 C ATOM 702 OE1 GLU A 48 -3.789 -7.544 12.288 1.00 0.00 O ATOM 703 OE2 GLU A 48 -5.410 -6.084 12.387 1.00 0.00 O ATOM 0 H GLU A 48 -3.206 -5.186 7.817 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.762 -8.105 7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.910 -8.537 9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.570 -7.476 10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.191 -5.529 9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.496 -6.678 9.771 1.00 0.00 H new ATOM 710 N LEU A 49 -4.809 -8.213 6.339 1.00 0.00 N ATOM 711 CA LEU A 49 -6.030 -8.389 5.555 1.00 0.00 C ATOM 712 C LEU A 49 -7.262 -8.302 6.455 1.00 0.00 C ATOM 713 O LEU A 49 -7.239 -8.777 7.589 1.00 0.00 O ATOM 714 CB LEU A 49 -6.051 -9.767 4.887 1.00 0.00 C ATOM 715 CG LEU A 49 -5.296 -9.925 3.559 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.521 -11.358 3.085 1.00 0.00 C ATOM 717 CD2 LEU A 49 -5.802 -9.005 2.442 1.00 0.00 C ATOM 0 H LEU A 49 -4.126 -8.958 6.200 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.047 -7.600 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.642 -10.489 5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.092 -10.042 4.716 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.253 -9.671 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.000 -11.515 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.136 -12.053 3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.588 -11.531 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.219 -9.176 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.852 -9.218 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.696 -7.965 2.751 1.00 0.00 H new ATOM 729 N PHE A 50 -8.355 -7.767 5.908 1.00 0.00 N ATOM 730 CA PHE A 50 -9.610 -7.664 6.639 1.00 0.00 C ATOM 731 C PHE A 50 -10.354 -8.998 6.638 1.00 0.00 C ATOM 732 O PHE A 50 -10.508 -9.634 7.684 1.00 0.00 O ATOM 733 CB PHE A 50 -10.511 -6.579 6.043 1.00 0.00 C ATOM 734 CG PHE A 50 -10.399 -5.225 6.682 1.00 0.00 C ATOM 735 CD1 PHE A 50 -9.504 -4.287 6.155 1.00 0.00 C ATOM 736 CD2 PHE A 50 -11.265 -4.862 7.729 1.00 0.00 C ATOM 737 CE1 PHE A 50 -9.523 -2.977 6.627 1.00 0.00 C ATOM 738 CE2 PHE A 50 -11.263 -3.547 8.222 1.00 0.00 C ATOM 739 CZ PHE A 50 -10.394 -2.597 7.660 1.00 0.00 C ATOM 0 H PHE A 50 -8.392 -7.398 4.958 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.364 -7.393 7.666 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.280 -6.481 4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.547 -6.911 6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.803 -4.577 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.933 -5.596 8.155 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -8.859 -2.244 6.193 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -11.925 -3.268 9.028 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.396 -1.579 8.021 1.00 0.00 H new ATOM 781 N GLN A 54 -8.107 -13.323 0.695 1.00 0.00 N ATOM 782 CA GLN A 54 -6.668 -13.491 0.516 1.00 0.00 C ATOM 783 C GLN A 54 -6.395 -13.952 -0.923 1.00 0.00 C ATOM 784 O GLN A 54 -7.270 -14.587 -1.536 1.00 0.00 O ATOM 785 CB GLN A 54 -6.083 -14.444 1.586 1.00 0.00 C ATOM 786 CG GLN A 54 -6.458 -15.930 1.446 1.00 0.00 C ATOM 787 CD GLN A 54 -5.834 -16.787 2.553 1.00 0.00 C ATOM 788 OE1 GLN A 54 -6.090 -16.587 3.740 1.00 0.00 O ATOM 789 NE2 GLN A 54 -5.024 -17.784 2.222 1.00 0.00 N ATOM 0 HA GLN A 54 -6.157 -12.539 0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.996 -14.361 1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.408 -14.099 2.567 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.543 -16.034 1.475 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.128 -16.297 0.474 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.805 -17.959 1.241 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.620 -18.376 2.948 1.00 0.00 H new ATOM 798 N PRO A 55 -5.201 -13.671 -1.471 1.00 0.00 N ATOM 799 CA PRO A 55 -4.801 -14.118 -2.806 1.00 0.00 C ATOM 800 C PRO A 55 -4.659 -15.650 -2.849 1.00 0.00 C ATOM 801 O PRO A 55 -4.780 -16.310 -1.815 1.00 0.00 O ATOM 802 CB PRO A 55 -3.486 -13.375 -3.097 1.00 0.00 C ATOM 803 CG PRO A 55 -2.913 -13.047 -1.727 1.00 0.00 C ATOM 804 CD PRO A 55 -4.136 -12.909 -0.834 1.00 0.00 C ATOM 0 HA PRO A 55 -5.543 -13.890 -3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.800 -13.996 -3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.663 -12.470 -3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.249 -13.836 -1.374 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.330 -12.126 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.931 -13.290 0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.420 -11.862 -0.724 1.00 0.00 H new ATOM 812 N PRO A 56 -4.412 -16.256 -4.024 1.00 0.00 N ATOM 813 CA PRO A 56 -4.042 -17.663 -4.074 1.00 0.00 C ATOM 814 C PRO A 56 -2.707 -17.890 -3.341 1.00 0.00 C ATOM 815 O PRO A 56 -1.921 -16.950 -3.216 1.00 0.00 O ATOM 816 CB PRO A 56 -3.958 -18.029 -5.558 1.00 0.00 C ATOM 817 CG PRO A 56 -4.025 -16.718 -6.342 1.00 0.00 C ATOM 818 CD PRO A 56 -4.343 -15.623 -5.334 1.00 0.00 C ATOM 0 HA PRO A 56 -4.772 -18.297 -3.572 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.031 -18.561 -5.773 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.777 -18.690 -5.840 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.079 -16.519 -6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.792 -16.768 -7.115 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.574 -14.850 -5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.288 -15.137 -5.578 1.00 0.00 H new ATOM 826 N PRO A 57 -2.409 -19.119 -2.887 1.00 0.00 N ATOM 827 CA PRO A 57 -1.131 -19.434 -2.257 1.00 0.00 C ATOM 828 C PRO A 57 0.003 -19.433 -3.282 1.00 0.00 C ATOM 829 O PRO A 57 -0.253 -19.432 -4.486 1.00 0.00 O ATOM 830 CB PRO A 57 -1.314 -20.816 -1.635 1.00 0.00 C ATOM 831 CG PRO A 57 -2.384 -21.459 -2.509 1.00 0.00 C ATOM 832 CD PRO A 57 -3.273 -20.286 -2.913 1.00 0.00 C ATOM 0 HA PRO A 57 -0.857 -18.691 -1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.387 -21.389 -1.649 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.632 -20.749 -0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.949 -21.950 -3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.945 -22.217 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.697 -20.438 -3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.109 -20.171 -2.223 1.00 0.00 H new ATOM 840 N ASN A 58 1.256 -19.494 -2.821 1.00 0.00 N ATOM 841 CA ASN A 58 2.485 -19.510 -3.631 1.00 0.00 C ATOM 842 C ASN A 58 2.601 -18.310 -4.579 1.00 0.00 C ATOM 843 O ASN A 58 3.409 -18.306 -5.511 1.00 0.00 O ATOM 844 CB ASN A 58 2.607 -20.833 -4.416 1.00 0.00 C ATOM 845 CG ASN A 58 2.774 -22.063 -3.545 1.00 0.00 C ATOM 846 OD1 ASN A 58 3.099 -21.971 -2.366 1.00 0.00 O ATOM 847 ND2 ASN A 58 2.529 -23.244 -4.084 1.00 0.00 N ATOM 0 H ASN A 58 1.454 -19.536 -1.821 1.00 0.00 H new ATOM 0 HA ASN A 58 3.314 -19.432 -2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.718 -20.958 -5.034 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.459 -20.763 -5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.610 -24.089 -3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.259 -23.311 -5.065 1.00 0.00 H new ATOM 854 N THR A 59 1.783 -17.285 -4.386 1.00 0.00 N ATOM 855 CA THR A 59 1.565 -16.215 -5.330 1.00 0.00 C ATOM 856 C THR A 59 2.192 -14.943 -4.751 1.00 0.00 C ATOM 857 O THR A 59 3.046 -14.352 -5.420 1.00 0.00 O ATOM 858 CB THR A 59 0.059 -16.160 -5.639 1.00 0.00 C ATOM 859 OG1 THR A 59 -0.402 -17.392 -6.179 1.00 0.00 O ATOM 860 CG2 THR A 59 -0.305 -15.130 -6.678 1.00 0.00 C ATOM 0 H THR A 59 1.235 -17.178 -3.532 1.00 0.00 H new ATOM 0 HA THR A 59 2.051 -16.360 -6.295 1.00 0.00 H new ATOM 0 HB THR A 59 -0.398 -15.918 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.422 -18.071 -5.473 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.382 -15.147 -6.846 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.008 -14.141 -6.330 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.211 -15.356 -7.611 1.00 0.00 H new ATOM 868 N LEU A 60 1.848 -14.556 -3.515 1.00 0.00 N ATOM 869 CA LEU A 60 2.467 -13.445 -2.794 1.00 0.00 C ATOM 870 C LEU A 60 3.966 -13.693 -2.672 1.00 0.00 C ATOM 871 O LEU A 60 4.417 -14.839 -2.601 1.00 0.00 O ATOM 872 CB LEU A 60 1.830 -13.242 -1.401 1.00 0.00 C ATOM 873 CG LEU A 60 0.741 -12.153 -1.394 1.00 0.00 C ATOM 874 CD1 LEU A 60 -0.067 -12.186 -0.094 1.00 0.00 C ATOM 875 CD2 LEU A 60 1.313 -10.736 -1.572 1.00 0.00 C ATOM 0 H LEU A 60 1.114 -15.020 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 60 2.296 -12.529 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.397 -14.184 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.608 -12.975 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 60 0.098 -12.378 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.828 -11.406 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.548 -13.159 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.599 -12.017 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.499 -10.011 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.006 -10.519 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.840 -10.673 -2.524 1.00 0.00 H new ATOM 887 N SER A 61 4.738 -12.612 -2.625 1.00 0.00 N ATOM 888 CA SER A 61 6.181 -12.657 -2.420 1.00 0.00 C ATOM 889 C SER A 61 6.661 -11.494 -1.588 1.00 0.00 C ATOM 890 O SER A 61 5.988 -10.476 -1.534 1.00 0.00 O ATOM 891 CB SER A 61 6.904 -12.609 -3.759 1.00 0.00 C ATOM 892 OG SER A 61 6.313 -11.725 -4.702 1.00 0.00 O ATOM 0 H SER A 61 4.373 -11.666 -2.730 1.00 0.00 H new ATOM 0 HA SER A 61 6.400 -13.588 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.938 -12.307 -3.592 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.929 -13.613 -4.183 1.00 0.00 H new ATOM 0 HG SER A 61 6.828 -11.743 -5.535 1.00 0.00 H new ATOM 898 N GLU A 62 7.871 -11.588 -1.047 1.00 0.00 N ATOM 899 CA GLU A 62 8.476 -10.502 -0.278 1.00 0.00 C ATOM 900 C GLU A 62 8.907 -9.308 -1.142 1.00 0.00 C ATOM 901 O GLU A 62 9.287 -8.262 -0.623 1.00 0.00 O ATOM 902 CB GLU A 62 9.707 -10.962 0.504 1.00 0.00 C ATOM 903 CG GLU A 62 9.618 -12.196 1.400 1.00 0.00 C ATOM 904 CD GLU A 62 10.726 -12.134 2.468 1.00 0.00 C ATOM 905 OE1 GLU A 62 11.895 -11.819 2.129 1.00 0.00 O ATOM 906 OE2 GLU A 62 10.396 -12.298 3.664 1.00 0.00 O ATOM 0 H GLU A 62 8.460 -12.417 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 62 7.684 -10.188 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.503 -11.141 -0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.026 -10.128 1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.639 -12.242 1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.724 -13.101 0.802 1.00 0.00 H new ATOM 913 N GLY A 63 8.841 -9.443 -2.460 1.00 0.00 N ATOM 914 CA GLY A 63 9.327 -8.460 -3.420 1.00 0.00 C ATOM 915 C GLY A 63 8.258 -8.048 -4.418 1.00 0.00 C ATOM 916 O GLY A 63 8.592 -7.404 -5.413 1.00 0.00 O ATOM 0 H GLY A 63 8.435 -10.266 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.681 -7.578 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.182 -8.872 -3.956 1.00 0.00 H new ATOM 920 N ALA A 64 6.997 -8.442 -4.180 1.00 0.00 N ATOM 921 CA ALA A 64 5.888 -8.160 -5.079 1.00 0.00 C ATOM 922 C ALA A 64 5.778 -6.639 -5.208 1.00 0.00 C ATOM 923 O ALA A 64 5.942 -5.942 -4.206 1.00 0.00 O ATOM 924 CB ALA A 64 4.601 -8.813 -4.543 1.00 0.00 C ATOM 0 H ALA A 64 6.726 -8.969 -3.350 1.00 0.00 H new ATOM 0 HA ALA A 64 6.052 -8.583 -6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.775 -8.598 -5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.742 -9.892 -4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.374 -8.412 -3.555 1.00 0.00 H new ATOM 930 N GLU A 65 5.561 -6.103 -6.408 1.00 0.00 N ATOM 931 CA GLU A 65 5.690 -4.672 -6.675 1.00 0.00 C ATOM 932 C GLU A 65 4.393 -3.923 -6.357 1.00 0.00 C ATOM 933 O GLU A 65 3.724 -3.357 -7.225 1.00 0.00 O ATOM 934 CB GLU A 65 6.133 -4.426 -8.120 1.00 0.00 C ATOM 935 CG GLU A 65 5.266 -5.062 -9.223 1.00 0.00 C ATOM 936 CD GLU A 65 5.192 -4.178 -10.471 1.00 0.00 C ATOM 937 OE1 GLU A 65 4.305 -3.297 -10.555 1.00 0.00 O ATOM 938 OE2 GLU A 65 6.012 -4.332 -11.401 1.00 0.00 O ATOM 0 H GLU A 65 5.290 -6.651 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 65 6.462 -4.278 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.164 -3.350 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.152 -4.796 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.676 -6.036 -9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.260 -5.235 -8.840 1.00 0.00 H new ATOM 945 N VAL A 66 4.010 -3.927 -5.093 1.00 0.00 N ATOM 946 CA VAL A 66 2.663 -3.521 -4.726 1.00 0.00 C ATOM 947 C VAL A 66 2.536 -1.999 -4.743 1.00 0.00 C ATOM 948 O VAL A 66 3.379 -1.275 -4.201 1.00 0.00 O ATOM 949 CB VAL A 66 2.162 -4.199 -3.444 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.421 -5.709 -3.503 1.00 0.00 C ATOM 951 CG2 VAL A 66 2.799 -3.643 -2.181 1.00 0.00 C ATOM 0 H VAL A 66 4.603 -4.203 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 66 1.975 -3.888 -5.488 1.00 0.00 H new ATOM 0 HB VAL A 66 1.093 -3.992 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.060 -6.176 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.896 -6.135 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.491 -5.891 -3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.401 -4.166 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.879 -3.784 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.575 -2.579 -2.098 1.00 0.00 H new ATOM 961 N SER A 67 1.490 -1.512 -5.397 1.00 0.00 N ATOM 962 CA SER A 67 1.080 -0.121 -5.336 1.00 0.00 C ATOM 963 C SER A 67 0.190 0.074 -4.102 1.00 0.00 C ATOM 964 O SER A 67 -0.256 -0.903 -3.490 1.00 0.00 O ATOM 965 CB SER A 67 0.400 0.277 -6.659 1.00 0.00 C ATOM 966 OG SER A 67 -0.334 -0.781 -7.250 1.00 0.00 O ATOM 0 H SER A 67 0.894 -2.085 -5.994 1.00 0.00 H new ATOM 0 HA SER A 67 1.937 0.543 -5.224 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.269 1.118 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.160 0.620 -7.361 1.00 0.00 H new ATOM 0 HG SER A 67 -0.744 -0.469 -8.084 1.00 0.00 H new ATOM 972 N VAL A 68 -0.041 1.332 -3.725 1.00 0.00 N ATOM 973 CA VAL A 68 -0.815 1.713 -2.551 1.00 0.00 C ATOM 974 C VAL A 68 -1.609 2.971 -2.852 1.00 0.00 C ATOM 975 O VAL A 68 -1.000 3.998 -3.146 1.00 0.00 O ATOM 976 CB VAL A 68 0.095 1.930 -1.324 1.00 0.00 C ATOM 977 CG1 VAL A 68 0.232 0.651 -0.504 1.00 0.00 C ATOM 978 CG2 VAL A 68 1.497 2.486 -1.643 1.00 0.00 C ATOM 0 H VAL A 68 0.317 2.134 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.501 0.901 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.415 2.700 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.879 0.836 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.751 0.335 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.666 -0.134 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.061 2.604 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.022 1.794 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.401 3.454 -2.135 1.00 0.00 H new ATOM 988 N SER A 69 -2.942 2.914 -2.775 1.00 0.00 N ATOM 989 CA SER A 69 -3.820 4.069 -2.947 1.00 0.00 C ATOM 990 C SER A 69 -4.666 4.255 -1.691 1.00 0.00 C ATOM 991 O SER A 69 -5.089 3.256 -1.097 1.00 0.00 O ATOM 992 CB SER A 69 -4.668 3.891 -4.221 1.00 0.00 C ATOM 993 OG SER A 69 -5.839 3.114 -4.059 1.00 0.00 O ATOM 0 H SER A 69 -3.447 2.048 -2.588 1.00 0.00 H new ATOM 0 HA SER A 69 -3.235 4.979 -3.079 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.953 4.876 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.048 3.430 -4.990 1.00 0.00 H new ATOM 0 HG SER A 69 -6.314 3.056 -4.914 1.00 0.00 H new ATOM 999 N VAL A 70 -4.973 5.498 -1.316 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.998 5.825 -0.336 1.00 0.00 C ATOM 1001 C VAL A 70 -6.511 7.236 -0.638 1.00 0.00 C ATOM 1002 O VAL A 70 -5.853 8.020 -1.323 1.00 0.00 O ATOM 1003 CB VAL A 70 -5.415 5.622 1.087 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -4.197 6.496 1.420 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -6.474 5.809 2.173 1.00 0.00 C ATOM 0 H VAL A 70 -4.503 6.320 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.865 5.167 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.069 4.589 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.862 6.282 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.391 6.279 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.472 7.548 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.021 5.657 3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.882 6.818 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.276 5.085 2.028 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.706 7.566 -0.159 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.224 8.921 -0.182 1.00 0.00 C ATOM 1017 C TRP A 71 -7.901 9.579 1.156 1.00 0.00 C ATOM 1018 O TRP A 71 -8.525 9.240 2.167 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.726 8.909 -0.462 1.00 0.00 C ATOM 1020 CG TRP A 71 -10.091 8.620 -1.885 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -10.310 7.401 -2.427 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.226 9.575 -2.975 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -10.687 7.561 -3.751 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.647 8.883 -4.142 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -10.009 10.962 -3.094 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -10.879 9.545 -5.360 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.213 11.636 -4.314 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -10.654 10.930 -5.447 1.00 0.00 C ATOM 0 H TRP A 71 -8.345 6.890 0.259 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.757 9.496 -0.982 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.196 8.163 0.179 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.142 9.877 -0.183 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -10.208 6.457 -1.912 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.961 6.793 -4.363 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.679 11.521 -2.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.227 8.995 -6.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.030 12.698 -4.379 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -10.819 11.449 -6.380 1.00 0.00 H new ATOM 1039 N THR A 72 -6.940 10.501 1.192 1.00 0.00 N ATOM 1040 CA THR A 72 -6.614 11.278 2.383 1.00 0.00 C ATOM 1041 C THR A 72 -6.185 12.690 1.963 1.00 0.00 C ATOM 1042 O THR A 72 -5.964 12.950 0.778 1.00 0.00 O ATOM 1043 CB THR A 72 -5.546 10.527 3.196 1.00 0.00 C ATOM 1044 OG1 THR A 72 -5.466 11.078 4.498 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.187 10.562 2.495 1.00 0.00 C ATOM 0 H THR A 72 -6.360 10.731 0.385 1.00 0.00 H new ATOM 0 HA THR A 72 -7.482 11.394 3.032 1.00 0.00 H new ATOM 0 HB THR A 72 -5.838 9.480 3.274 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.786 10.597 5.015 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.454 10.023 3.095 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.271 10.092 1.515 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.866 11.597 2.374 1.00 0.00 H new ATOM 1053 N GLY A 73 -6.070 13.611 2.924 1.00 0.00 N ATOM 1054 CA GLY A 73 -5.708 15.001 2.673 1.00 0.00 C ATOM 1055 C GLY A 73 -6.605 15.680 1.633 1.00 0.00 C ATOM 1056 O GLY A 73 -6.127 16.585 0.940 1.00 0.00 O ATOM 0 H GLY A 73 -6.229 13.405 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.761 15.558 3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.673 15.045 2.334 1.00 0.00 H new ATOM 1060 N GLY A 74 -7.865 15.240 1.505 1.00 0.00 N ATOM 1061 CA GLY A 74 -8.844 15.754 0.554 1.00 0.00 C ATOM 1062 C GLY A 74 -8.664 15.221 -0.872 1.00 0.00 C ATOM 1063 O GLY A 74 -9.333 15.716 -1.788 1.00 0.00 O ATOM 0 H GLY A 74 -8.238 14.489 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.844 15.498 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.781 16.842 0.535 1.00 0.00 H new ATOM 1067 N ALA A 75 -7.748 14.267 -1.089 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.271 13.864 -2.400 1.00 0.00 C ATOM 1069 C ALA A 75 -6.994 12.361 -2.485 1.00 0.00 C ATOM 1070 O ALA A 75 -7.121 11.634 -1.503 1.00 0.00 O ATOM 1071 CB ALA A 75 -5.999 14.661 -2.709 1.00 0.00 C ATOM 0 H ALA A 75 -7.312 13.745 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.048 14.074 -3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.620 14.376 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.227 15.727 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.243 14.448 -1.953 1.00 0.00 H new ATOM 1077 N LEU A 76 -6.628 11.898 -3.681 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.287 10.522 -3.994 1.00 0.00 C ATOM 1079 C LEU A 76 -4.776 10.434 -4.136 1.00 0.00 C ATOM 1080 O LEU A 76 -4.212 10.743 -5.193 1.00 0.00 O ATOM 1081 CB LEU A 76 -7.005 10.094 -5.282 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.741 8.641 -5.714 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -7.021 7.663 -4.570 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -7.635 8.307 -6.914 1.00 0.00 C ATOM 0 H LEU A 76 -6.560 12.509 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.609 9.846 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.078 10.229 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.701 10.760 -6.090 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.691 8.543 -5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.825 6.645 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.374 7.897 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.063 7.750 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.455 7.279 -7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.681 8.422 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.406 8.983 -7.738 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.108 10.033 -3.061 1.00 0.00 N ATOM 1097 CA CYS A 77 -2.705 9.698 -3.107 1.00 0.00 C ATOM 1098 C CYS A 77 -2.582 8.275 -3.667 1.00 0.00 C ATOM 1099 O CYS A 77 -3.375 7.397 -3.313 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.145 9.851 -1.687 1.00 0.00 C ATOM 1101 SG CYS A 77 -2.975 8.820 -0.479 1.00 0.00 S ATOM 0 H CYS A 77 -4.530 9.934 -2.138 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.126 10.353 -3.758 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.083 9.605 -1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -2.229 10.894 -1.382 1.00 0.00 H new ATOM 0 HG CYS A 77 -4.154 8.496 -0.922 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.588 8.019 -4.525 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.245 6.653 -4.918 1.00 0.00 C ATOM 1109 C ARG A 78 0.239 6.493 -5.155 1.00 0.00 C ATOM 1110 O ARG A 78 0.751 7.029 -6.142 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.044 6.185 -6.140 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.698 4.721 -6.478 1.00 0.00 C ATOM 1113 CD ARG A 78 -0.560 4.469 -7.491 1.00 0.00 C ATOM 1114 NE ARG A 78 -0.729 5.214 -8.752 1.00 0.00 N ATOM 1115 CZ ARG A 78 -1.744 5.155 -9.620 1.00 0.00 C ATOM 1116 NH1 ARG A 78 -2.702 4.250 -9.495 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -1.789 6.030 -10.616 1.00 0.00 N ATOM 0 H ARG A 78 -1.010 8.739 -4.958 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.522 6.013 -4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.112 6.277 -5.941 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.822 6.825 -6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.438 4.214 -5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.600 4.243 -6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.391 4.748 -7.036 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.508 3.403 -7.711 1.00 0.00 H new ATOM 0 HE ARG A 78 0.025 5.857 -8.993 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.674 3.581 -8.726 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.468 4.222 -10.168 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.056 6.733 -10.710 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.556 5.999 -11.287 1.00 0.00 H new ATOM 1131 N CYS A 79 0.926 5.728 -4.312 1.00 0.00 N ATOM 1132 CA CYS A 79 2.359 5.509 -4.444 1.00 0.00 C ATOM 1133 C CYS A 79 2.656 4.094 -4.931 1.00 0.00 C ATOM 1134 O CYS A 79 1.767 3.251 -5.066 1.00 0.00 O ATOM 1135 CB CYS A 79 3.039 5.917 -3.123 1.00 0.00 C ATOM 1136 SG CYS A 79 4.857 5.914 -3.091 1.00 0.00 S ATOM 0 H CYS A 79 0.504 5.244 -3.520 1.00 0.00 H new ATOM 0 HA CYS A 79 2.789 6.141 -5.220 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.698 6.919 -2.862 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.686 5.246 -2.340 1.00 0.00 H new ATOM 0 HG CYS A 79 5.305 6.922 -3.779 1.00 0.00 H new ATOM 1142 N ASP A 80 3.931 3.883 -5.223 1.00 0.00 N ATOM 1143 CA ASP A 80 4.542 2.658 -5.690 1.00 0.00 C ATOM 1144 C ASP A 80 5.431 2.131 -4.565 1.00 0.00 C ATOM 1145 O ASP A 80 5.949 2.908 -3.756 1.00 0.00 O ATOM 1146 CB ASP A 80 5.425 2.981 -6.901 1.00 0.00 C ATOM 1147 CG ASP A 80 4.653 3.108 -8.209 1.00 0.00 C ATOM 1148 OD1 ASP A 80 4.009 4.152 -8.493 1.00 0.00 O ATOM 1149 OD2 ASP A 80 4.774 2.185 -9.036 1.00 0.00 O ATOM 0 H ASP A 80 4.618 4.631 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 80 3.785 1.924 -5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.957 3.913 -6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.178 2.200 -7.009 1.00 0.00 H new ATOM 1154 N GLY A 81 5.662 0.822 -4.546 1.00 0.00 N ATOM 1155 CA GLY A 81 6.433 0.173 -3.503 1.00 0.00 C ATOM 1156 C GLY A 81 6.620 -1.303 -3.795 1.00 0.00 C ATOM 1157 O GLY A 81 6.458 -1.733 -4.946 1.00 0.00 O ATOM 0 H GLY A 81 5.315 0.182 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.407 0.655 -3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.928 0.295 -2.545 1.00 0.00 H new ATOM 1161 N ARG A 82 7.070 -2.047 -2.780 1.00 0.00 N ATOM 1162 CA ARG A 82 7.204 -3.508 -2.788 1.00 0.00 C ATOM 1163 C ARG A 82 6.732 -4.076 -1.455 1.00 0.00 C ATOM 1164 O ARG A 82 6.440 -3.292 -0.560 1.00 0.00 O ATOM 1165 CB ARG A 82 8.638 -3.993 -3.058 1.00 0.00 C ATOM 1166 CG ARG A 82 9.208 -3.429 -4.353 1.00 0.00 C ATOM 1167 CD ARG A 82 10.106 -2.223 -4.112 1.00 0.00 C ATOM 1168 NE ARG A 82 11.504 -2.653 -4.004 1.00 0.00 N ATOM 1169 CZ ARG A 82 12.558 -1.933 -4.387 1.00 0.00 C ATOM 1170 NH1 ARG A 82 12.401 -0.641 -4.630 1.00 0.00 N ATOM 1171 NH2 ARG A 82 13.744 -2.501 -4.555 1.00 0.00 N ATOM 0 H ARG A 82 7.363 -1.632 -1.895 1.00 0.00 H new ATOM 0 HA ARG A 82 6.584 -3.867 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.279 -3.703 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.648 -5.082 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.776 -4.205 -4.866 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.389 -3.144 -5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.998 -1.510 -4.929 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.803 -1.710 -3.199 1.00 0.00 H new ATOM 0 HE ARG A 82 11.683 -3.574 -3.605 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.483 -0.210 -4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.198 -0.077 -4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.858 -3.501 -4.391 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.542 -1.938 -4.848 1.00 0.00 H new ATOM 1185 N VAL A 83 6.681 -5.400 -1.310 1.00 0.00 N ATOM 1186 CA VAL A 83 6.298 -6.070 -0.065 1.00 0.00 C ATOM 1187 C VAL A 83 7.365 -5.926 1.040 1.00 0.00 C ATOM 1188 O VAL A 83 7.020 -5.859 2.211 1.00 0.00 O ATOM 1189 CB VAL A 83 5.938 -7.535 -0.380 1.00 0.00 C ATOM 1190 CG1 VAL A 83 5.697 -8.367 0.877 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.701 -7.641 -1.285 1.00 0.00 C ATOM 0 H VAL A 83 6.908 -6.048 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 83 5.417 -5.580 0.349 1.00 0.00 H new ATOM 0 HB VAL A 83 6.807 -7.936 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.447 -9.390 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.598 -8.370 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.873 -7.936 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.483 -8.691 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.847 -7.180 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.894 -7.128 -2.227 1.00 0.00 H new ATOM 1201 N GLU A 84 8.650 -5.839 0.702 1.00 0.00 N ATOM 1202 CA GLU A 84 9.800 -5.783 1.620 1.00 0.00 C ATOM 1203 C GLU A 84 10.029 -7.108 2.366 1.00 0.00 C ATOM 1204 O GLU A 84 11.085 -7.727 2.213 1.00 0.00 O ATOM 1205 CB GLU A 84 9.653 -4.592 2.585 1.00 0.00 C ATOM 1206 CG GLU A 84 10.977 -4.021 3.109 1.00 0.00 C ATOM 1207 CD GLU A 84 11.516 -4.604 4.414 1.00 0.00 C ATOM 1208 OE1 GLU A 84 10.876 -5.449 5.067 1.00 0.00 O ATOM 1209 OE2 GLU A 84 12.562 -4.089 4.884 1.00 0.00 O ATOM 0 H GLU A 84 8.940 -5.803 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 84 10.696 -5.628 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.106 -3.797 2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.046 -4.904 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.735 -4.160 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.853 -2.947 3.244 1.00 0.00 H new ATOM 1216 N THR A 85 9.052 -7.534 3.168 1.00 0.00 N ATOM 1217 CA THR A 85 9.053 -8.730 3.993 1.00 0.00 C ATOM 1218 C THR A 85 7.613 -9.239 4.016 1.00 0.00 C ATOM 1219 O THR A 85 6.710 -8.563 4.516 1.00 0.00 O ATOM 1220 CB THR A 85 9.553 -8.401 5.413 1.00 0.00 C ATOM 1221 OG1 THR A 85 10.899 -7.965 5.405 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.468 -9.623 6.329 1.00 0.00 C ATOM 0 H THR A 85 8.181 -7.012 3.260 1.00 0.00 H new ATOM 0 HA THR A 85 9.723 -9.491 3.594 1.00 0.00 H new ATOM 0 HB THR A 85 8.907 -7.605 5.784 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.933 -7.004 5.595 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.828 -9.358 7.323 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.433 -9.957 6.395 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.083 -10.426 5.922 1.00 0.00 H new ATOM 1230 N LEU A 86 7.372 -10.428 3.460 1.00 0.00 N ATOM 1231 CA LEU A 86 6.087 -11.097 3.637 1.00 0.00 C ATOM 1232 C LEU A 86 6.142 -11.869 4.959 1.00 0.00 C ATOM 1233 O LEU A 86 7.226 -12.241 5.424 1.00 0.00 O ATOM 1234 CB LEU A 86 5.806 -12.023 2.446 1.00 0.00 C ATOM 1235 CG LEU A 86 4.310 -12.359 2.307 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.626 -11.346 1.392 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.116 -13.746 1.720 1.00 0.00 C ATOM 0 H LEU A 86 8.044 -10.941 2.889 1.00 0.00 H new ATOM 0 HA LEU A 86 5.271 -10.375 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.156 -11.549 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.374 -12.946 2.564 1.00 0.00 H new ATOM 0 HG LEU A 86 3.869 -12.324 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.568 -11.594 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.730 -10.346 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.091 -11.374 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.050 -13.958 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.577 -13.791 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.581 -14.485 2.372 1.00 0.00 H new ATOM 1249 N ARG A 87 4.987 -12.142 5.568 1.00 0.00 N ATOM 1250 CA ARG A 87 4.903 -12.883 6.821 1.00 0.00 C ATOM 1251 C ARG A 87 3.912 -14.026 6.701 1.00 0.00 C ATOM 1252 O ARG A 87 4.296 -15.180 6.888 1.00 0.00 O ATOM 1253 CB ARG A 87 4.581 -11.900 7.956 1.00 0.00 C ATOM 1254 CG ARG A 87 4.515 -12.599 9.311 1.00 0.00 C ATOM 1255 CD ARG A 87 3.983 -11.632 10.358 1.00 0.00 C ATOM 1256 NE ARG A 87 3.957 -12.271 11.674 1.00 0.00 N ATOM 1257 CZ ARG A 87 3.302 -11.813 12.740 1.00 0.00 C ATOM 1258 NH1 ARG A 87 2.588 -10.696 12.692 1.00 0.00 N ATOM 1259 NH2 ARG A 87 3.383 -12.497 13.866 1.00 0.00 N ATOM 0 H ARG A 87 4.080 -11.852 5.201 1.00 0.00 H new ATOM 0 HA ARG A 87 5.858 -13.352 7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.341 -11.119 7.987 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.629 -11.410 7.753 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.869 -13.475 9.249 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.505 -12.953 9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.610 -10.741 10.391 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.979 -11.306 10.085 1.00 0.00 H new ATOM 0 HE ARG A 87 4.483 -13.138 11.784 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.530 -10.164 11.823 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.097 -10.369 13.524 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.937 -13.353 13.904 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.892 -12.170 14.698 1.00 0.00 H new ATOM 1273 N ASP A 88 2.665 -13.717 6.376 1.00 0.00 N ATOM 1274 CA ASP A 88 1.628 -14.669 6.022 1.00 0.00 C ATOM 1275 C ASP A 88 1.117 -14.282 4.641 1.00 0.00 C ATOM 1276 O ASP A 88 1.357 -13.174 4.163 1.00 0.00 O ATOM 1277 CB ASP A 88 0.443 -14.609 7.006 1.00 0.00 C ATOM 1278 CG ASP A 88 0.654 -15.251 8.373 1.00 0.00 C ATOM 1279 OD1 ASP A 88 0.891 -16.485 8.423 1.00 0.00 O ATOM 1280 OD2 ASP A 88 0.406 -14.550 9.378 1.00 0.00 O ATOM 0 H ASP A 88 2.336 -12.752 6.352 1.00 0.00 H new ATOM 0 HA ASP A 88 2.042 -15.677 6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.180 -13.562 7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.415 -15.087 6.534 1.00 0.00 H new ATOM 1285 N ASP A 89 0.264 -15.125 4.073 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.561 -14.765 2.917 1.00 0.00 C ATOM 1287 C ASP A 89 -1.606 -13.693 3.293 1.00 0.00 C ATOM 1288 O ASP A 89 -2.274 -13.149 2.416 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.220 -16.028 2.332 1.00 0.00 C ATOM 1290 CG ASP A 89 -0.717 -16.363 0.928 1.00 0.00 C ATOM 1291 OD1 ASP A 89 0.504 -16.583 0.735 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -1.546 -16.503 0.009 1.00 0.00 O ATOM 0 H ASP A 89 0.121 -16.081 4.399 1.00 0.00 H new ATOM 0 HA ASP A 89 0.077 -14.328 2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.027 -16.873 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.301 -15.888 2.302 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.743 -13.360 4.591 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.687 -12.374 5.121 1.00 0.00 C ATOM 1299 C ARG A 90 -2.047 -11.222 5.902 1.00 0.00 C ATOM 1300 O ARG A 90 -2.762 -10.293 6.271 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.797 -13.053 5.942 1.00 0.00 C ATOM 1302 CG ARG A 90 -3.265 -13.812 7.159 1.00 0.00 C ATOM 1303 CD ARG A 90 -4.254 -13.822 8.333 1.00 0.00 C ATOM 1304 NE ARG A 90 -5.461 -14.621 8.064 1.00 0.00 N ATOM 1305 CZ ARG A 90 -6.398 -14.943 8.963 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -6.425 -14.369 10.162 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -7.290 -15.868 8.655 1.00 0.00 N ATOM 0 H ARG A 90 -1.175 -13.790 5.321 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.127 -11.906 4.241 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.508 -12.297 6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.344 -13.744 5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.040 -14.839 6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.328 -13.359 7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.754 -14.216 9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.547 -12.797 8.562 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.594 -14.958 7.111 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.724 -13.671 10.409 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.147 -14.627 10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.257 -16.325 7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.011 -16.125 9.329 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.742 -11.250 6.182 1.00 0.00 N ATOM 1322 CA GLN A 91 -0.034 -10.224 6.932 1.00 0.00 C ATOM 1323 C GLN A 91 1.297 -10.028 6.235 1.00 0.00 C ATOM 1324 O GLN A 91 1.998 -11.007 5.980 1.00 0.00 O ATOM 1325 CB GLN A 91 0.270 -10.674 8.365 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.939 -10.964 9.259 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.502 -11.193 10.707 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -0.825 -10.421 11.610 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.233 -12.259 10.984 1.00 0.00 N ATOM 0 H GLN A 91 -0.135 -12.013 5.881 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.646 -9.323 6.974 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.883 -11.574 8.318 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.872 -9.903 8.845 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.639 -10.130 9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.467 -11.844 8.890 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.502 -12.901 10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.530 -12.439 11.943 1.00 0.00 H new ATOM 1338 N PHE A 92 1.669 -8.796 5.936 1.00 0.00 N ATOM 1339 CA PHE A 92 2.938 -8.511 5.277 1.00 0.00 C ATOM 1340 C PHE A 92 3.298 -7.042 5.447 1.00 0.00 C ATOM 1341 O PHE A 92 2.447 -6.226 5.820 1.00 0.00 O ATOM 1342 CB PHE A 92 2.880 -8.959 3.806 1.00 0.00 C ATOM 1343 CG PHE A 92 1.615 -8.601 3.048 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.472 -7.329 2.470 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.565 -9.532 2.953 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.272 -6.964 1.840 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.653 -9.163 2.352 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.799 -7.876 1.796 1.00 0.00 C ATOM 0 H PHE A 92 1.108 -7.969 6.140 1.00 0.00 H new ATOM 0 HA PHE A 92 3.740 -9.082 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.730 -8.523 3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.006 -10.041 3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.291 -6.627 2.511 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.694 -10.531 3.342 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.171 -5.987 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.474 -9.864 2.317 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.733 -7.590 1.336 1.00 0.00 H new ATOM 1358 N ALA A 93 4.569 -6.723 5.210 1.00 0.00 N ATOM 1359 CA ALA A 93 5.055 -5.361 5.164 1.00 0.00 C ATOM 1360 C ALA A 93 4.801 -4.773 3.776 1.00 0.00 C ATOM 1361 O ALA A 93 4.323 -5.459 2.872 1.00 0.00 O ATOM 1362 CB ALA A 93 6.545 -5.335 5.532 1.00 0.00 C ATOM 0 H ALA A 93 5.295 -7.420 5.043 1.00 0.00 H new ATOM 0 HA ALA A 93 4.521 -4.746 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.911 -4.309 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.678 -5.734 6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.106 -5.944 4.823 1.00 0.00 H new ATOM 1368 N ILE A 94 5.171 -3.508 3.597 1.00 0.00 N ATOM 1369 CA ILE A 94 5.483 -2.903 2.316 1.00 0.00 C ATOM 1370 C ILE A 94 6.651 -1.934 2.502 1.00 0.00 C ATOM 1371 O ILE A 94 6.799 -1.381 3.590 1.00 0.00 O ATOM 1372 CB ILE A 94 4.260 -2.176 1.720 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.491 -1.327 2.752 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.325 -3.170 1.027 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.469 -0.392 2.108 1.00 0.00 C ATOM 0 H ILE A 94 5.264 -2.855 4.375 1.00 0.00 H new ATOM 0 HA ILE A 94 5.761 -3.687 1.611 1.00 0.00 H new ATOM 0 HB ILE A 94 4.649 -1.476 0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.980 -1.989 3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.201 -0.737 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.469 -2.637 0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.861 -3.674 0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.978 -3.908 1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.959 0.180 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.979 0.292 1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.739 -0.979 1.551 1.00 0.00 H new ATOM 1387 N ARG A 95 7.403 -1.616 1.444 1.00 0.00 N ATOM 1388 CA ARG A 95 8.404 -0.545 1.356 1.00 0.00 C ATOM 1389 C ARG A 95 7.906 0.413 0.280 1.00 0.00 C ATOM 1390 O ARG A 95 7.866 0.003 -0.882 1.00 0.00 O ATOM 1391 CB ARG A 95 9.785 -1.109 0.926 1.00 0.00 C ATOM 1392 CG ARG A 95 10.920 -0.722 1.876 1.00 0.00 C ATOM 1393 CD ARG A 95 11.330 0.743 1.753 1.00 0.00 C ATOM 1394 NE ARG A 95 12.347 0.985 0.730 1.00 0.00 N ATOM 1395 CZ ARG A 95 13.663 0.835 0.906 1.00 0.00 C ATOM 1396 NH1 ARG A 95 14.173 0.155 1.931 1.00 0.00 N ATOM 1397 NH2 ARG A 95 14.501 1.405 0.059 1.00 0.00 N ATOM 0 H ARG A 95 7.325 -2.133 0.568 1.00 0.00 H new ATOM 0 HA ARG A 95 8.528 -0.059 2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.724 -2.196 0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.021 -0.749 -0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.611 -0.922 2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.785 -1.353 1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.447 1.340 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.707 1.088 2.716 1.00 0.00 H new ATOM 0 HE ARG A 95 12.027 1.292 -0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.553 -0.274 2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 95 15.184 0.063 2.030 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.142 1.954 -0.722 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.507 1.296 0.186 1.00 0.00 H new ATOM 1411 N LEU A 96 7.540 1.654 0.611 1.00 0.00 N ATOM 1412 CA LEU A 96 7.307 2.662 -0.420 1.00 0.00 C ATOM 1413 C LEU A 96 8.667 3.041 -0.985 1.00 0.00 C ATOM 1414 O LEU A 96 9.658 3.065 -0.244 1.00 0.00 O ATOM 1415 CB LEU A 96 6.645 3.956 0.098 1.00 0.00 C ATOM 1416 CG LEU A 96 5.304 3.871 0.850 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.448 2.661 0.471 1.00 0.00 C ATOM 1418 CD2 LEU A 96 5.544 3.926 2.361 1.00 0.00 C ATOM 0 H LEU A 96 7.401 1.979 1.568 1.00 0.00 H new ATOM 0 HA LEU A 96 6.625 2.228 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.360 4.447 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.498 4.614 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 96 4.723 4.739 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.522 2.676 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.216 2.699 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.996 1.745 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.589 3.865 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.175 3.089 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.039 4.863 2.617 1.00 0.00 H new ATOM 1430 N VAL A 97 8.713 3.421 -2.256 1.00 0.00 N ATOM 1431 CA VAL A 97 9.884 4.007 -2.887 1.00 0.00 C ATOM 1432 C VAL A 97 9.495 5.247 -3.702 1.00 0.00 C ATOM 1433 O VAL A 97 8.320 5.613 -3.775 1.00 0.00 O ATOM 1434 CB VAL A 97 10.659 2.923 -3.661 1.00 0.00 C ATOM 1435 CG1 VAL A 97 11.318 1.941 -2.676 1.00 0.00 C ATOM 1436 CG2 VAL A 97 9.834 2.151 -4.702 1.00 0.00 C ATOM 0 H VAL A 97 7.918 3.327 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 97 10.581 4.380 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 97 11.413 3.462 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.863 1.179 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 97 12.009 2.483 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.549 1.465 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 97 10.467 1.412 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.004 1.647 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 97 9.445 2.846 -5.446 1.00 0.00 H new ATOM 1446 N GLY A 98 10.488 5.959 -4.237 1.00 0.00 N ATOM 1447 CA GLY A 98 10.370 7.253 -4.870 1.00 0.00 C ATOM 1448 C GLY A 98 9.714 8.222 -3.903 1.00 0.00 C ATOM 1449 O GLY A 98 10.265 8.577 -2.856 1.00 0.00 O ATOM 0 H GLY A 98 11.449 5.618 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.354 7.620 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.778 7.173 -5.782 1.00 0.00 H new ATOM 1453 N ARG A 99 8.501 8.614 -4.251 1.00 0.00 N ATOM 1454 CA ARG A 99 7.692 9.624 -3.584 1.00 0.00 C ATOM 1455 C ARG A 99 6.208 9.346 -3.822 1.00 0.00 C ATOM 1456 O ARG A 99 5.856 8.536 -4.682 1.00 0.00 O ATOM 1457 CB ARG A 99 8.132 11.015 -4.095 1.00 0.00 C ATOM 1458 CG ARG A 99 7.850 11.290 -5.585 1.00 0.00 C ATOM 1459 CD ARG A 99 6.437 11.850 -5.817 1.00 0.00 C ATOM 1460 NE ARG A 99 6.433 13.295 -6.080 1.00 0.00 N ATOM 1461 CZ ARG A 99 6.712 13.895 -7.242 1.00 0.00 C ATOM 1462 NH1 ARG A 99 7.101 13.202 -8.307 1.00 0.00 N ATOM 1463 NH2 ARG A 99 6.605 15.206 -7.349 1.00 0.00 N ATOM 0 H ARG A 99 8.023 8.211 -5.057 1.00 0.00 H new ATOM 0 HA ARG A 99 7.841 9.596 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.629 11.778 -3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.202 11.127 -3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.586 11.997 -5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.970 10.367 -6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.979 11.331 -6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.821 11.643 -4.942 1.00 0.00 H new ATOM 0 HE ARG A 99 6.193 13.903 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.193 12.188 -8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.308 13.684 -9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.310 15.761 -6.546 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.818 15.664 -8.235 1.00 0.00 H new ATOM 1477 N VAL A 100 5.358 10.076 -3.103 1.00 0.00 N ATOM 1478 CA VAL A 100 3.907 10.115 -3.244 1.00 0.00 C ATOM 1479 C VAL A 100 3.431 11.540 -3.550 1.00 0.00 C ATOM 1480 O VAL A 100 4.144 12.508 -3.271 1.00 0.00 O ATOM 1481 CB VAL A 100 3.242 9.439 -2.041 1.00 0.00 C ATOM 1482 CG1 VAL A 100 3.858 9.783 -0.678 1.00 0.00 C ATOM 1483 CG2 VAL A 100 1.723 9.180 -2.246 1.00 0.00 C ATOM 0 H VAL A 100 5.686 10.694 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 100 3.590 9.531 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 100 3.539 8.392 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.318 9.256 0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.905 9.480 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.789 10.857 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.313 8.699 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.212 10.128 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.578 8.531 -3.110 1.00 0.00 H new ATOM 1493 N ARG A 101 2.257 11.655 -4.172 1.00 0.00 N ATOM 1494 CA ARG A 101 1.725 12.791 -4.897 1.00 0.00 C ATOM 1495 C ARG A 101 0.209 12.591 -5.008 1.00 0.00 C ATOM 1496 O ARG A 101 -0.261 11.449 -5.043 1.00 0.00 O ATOM 1497 CB ARG A 101 2.431 12.751 -6.267 1.00 0.00 C ATOM 1498 CG ARG A 101 1.850 13.624 -7.377 1.00 0.00 C ATOM 1499 CD ARG A 101 0.859 12.873 -8.273 1.00 0.00 C ATOM 1500 NE ARG A 101 0.496 13.719 -9.410 1.00 0.00 N ATOM 1501 CZ ARG A 101 1.206 13.867 -10.530 1.00 0.00 C ATOM 1502 NH1 ARG A 101 2.208 13.045 -10.815 1.00 0.00 N ATOM 1503 NH2 ARG A 101 0.894 14.863 -11.342 1.00 0.00 N ATOM 0 H ARG A 101 1.598 10.876 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 101 1.893 13.758 -4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.472 13.040 -6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.434 11.718 -6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.349 14.483 -6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.664 14.012 -7.990 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.303 11.942 -8.625 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.032 12.606 -7.705 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.377 14.242 -9.340 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.444 12.288 -10.174 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.742 13.171 -11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.128 15.493 -11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.419 15.001 -12.205 1.00 0.00 H new