USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 427 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 35 THR OG1 : rot 128:sc= 0.389 USER MOD Set 1.2: A 37 ASN : amide:sc= 0.357 K(o=0.75,f=-2.3!) USER MOD Set 2.1: A 16 SER OG : rot -166:sc= 1.27 USER MOD Set 2.2: A 46 SER OG : rot 84:sc= 1.26 USER MOD Set 3.1: A 3 CYS SG : rot -135:sc= -1.06 USER MOD Set 3.2: A 6 SER OG : rot -173:sc= 0.367 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -157:sc= 2.41 (180deg=1.16) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 101:sc= 0.516 USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0.766 (180deg=0.754) USER MOD Single : A 26 SER OG : rot 70:sc= 1.27 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -90:sc= 0.0102 USER MOD Single : A 42 ASN : amide:sc= 0.458 X(o=0.46,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -6.994 -1.525 -7.578 1.00 0.00 N ATOM 19 CA LEU A 2 -6.613 -2.841 -7.046 1.00 0.00 C ATOM 20 C LEU A 2 -5.112 -2.955 -6.794 1.00 0.00 C ATOM 21 O LEU A 2 -4.302 -2.235 -7.385 1.00 0.00 O ATOM 22 CB LEU A 2 -7.118 -3.964 -7.975 1.00 0.00 C ATOM 23 CG LEU A 2 -8.645 -4.023 -8.166 1.00 0.00 C ATOM 24 CD1 LEU A 2 -8.993 -5.110 -9.188 1.00 0.00 C ATOM 25 CD2 LEU A 2 -9.375 -4.356 -6.865 1.00 0.00 C ATOM 0 HA LEU A 2 -7.095 -2.954 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.651 -3.842 -8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.781 -4.921 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.963 -3.038 -8.507 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.074 -5.151 -9.322 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.517 -4.879 -10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.635 -6.075 -8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.449 -4.387 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.041 -5.327 -6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.156 -3.592 -6.119 1.00 0.00 H new ATOM 37 N CYS A 3 -4.758 -3.870 -5.887 1.00 0.00 N ATOM 38 CA CYS A 3 -3.424 -3.991 -5.343 1.00 0.00 C ATOM 39 C CYS A 3 -2.373 -4.295 -6.418 1.00 0.00 C ATOM 40 O CYS A 3 -2.562 -5.097 -7.331 1.00 0.00 O ATOM 41 CB CYS A 3 -3.540 -5.009 -4.201 1.00 0.00 C ATOM 42 SG CYS A 3 -1.991 -5.604 -3.503 1.00 0.00 S ATOM 0 H CYS A 3 -5.412 -4.556 -5.510 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.046 -3.051 -4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.126 -4.559 -3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.104 -5.868 -4.564 1.00 0.00 H new ATOM 0 HG CYS A 3 -2.051 -6.893 -3.349 1.00 0.00 H new ATOM 48 N ALA A 4 -1.242 -3.611 -6.286 1.00 0.00 N ATOM 49 CA ALA A 4 -0.101 -3.740 -7.205 1.00 0.00 C ATOM 50 C ALA A 4 0.815 -4.920 -6.832 1.00 0.00 C ATOM 51 O ALA A 4 1.610 -5.387 -7.652 1.00 0.00 O ATOM 52 CB ALA A 4 0.671 -2.419 -7.281 1.00 0.00 C ATOM 0 H ALA A 4 -1.083 -2.942 -5.532 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.493 -3.963 -8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.513 -2.528 -7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.010 -1.631 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.040 -2.156 -6.290 1.00 0.00 H new ATOM 58 N ILE A 5 0.678 -5.417 -5.596 1.00 0.00 N ATOM 59 CA ILE A 5 1.399 -6.576 -5.060 1.00 0.00 C ATOM 60 C ILE A 5 0.707 -7.887 -5.484 1.00 0.00 C ATOM 61 O ILE A 5 1.380 -8.795 -5.977 1.00 0.00 O ATOM 62 CB ILE A 5 1.545 -6.426 -3.529 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.412 -5.190 -3.200 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.177 -7.689 -2.914 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.326 -4.792 -1.727 1.00 0.00 C ATOM 0 H ILE A 5 0.037 -5.006 -4.917 1.00 0.00 H new ATOM 0 HA ILE A 5 2.405 -6.620 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 5 0.552 -6.293 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.450 -5.400 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.094 -4.351 -3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.270 -7.561 -1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.544 -8.551 -3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.164 -7.850 -3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.953 -3.919 -1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.293 -4.554 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.671 -5.619 -1.106 1.00 0.00 H new ATOM 77 N SER A 6 -0.622 -7.983 -5.331 1.00 0.00 N ATOM 78 CA SER A 6 -1.411 -9.192 -5.634 1.00 0.00 C ATOM 79 C SER A 6 -2.627 -8.979 -6.534 1.00 0.00 C ATOM 80 O SER A 6 -3.014 -9.908 -7.248 1.00 0.00 O ATOM 81 CB SER A 6 -1.940 -9.798 -4.341 1.00 0.00 C ATOM 82 OG SER A 6 -2.725 -8.822 -3.668 1.00 0.00 O ATOM 0 H SER A 6 -1.191 -7.210 -4.987 1.00 0.00 H new ATOM 0 HA SER A 6 -0.713 -9.836 -6.168 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.540 -10.683 -4.556 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.113 -10.120 -3.708 1.00 0.00 H new ATOM 0 HG SER A 6 -2.980 -9.160 -2.784 1.00 0.00 H new ATOM 88 N GLY A 7 -3.255 -7.797 -6.488 1.00 0.00 N ATOM 89 CA GLY A 7 -4.543 -7.545 -7.131 1.00 0.00 C ATOM 90 C GLY A 7 -5.760 -7.735 -6.224 1.00 0.00 C ATOM 91 O GLY A 7 -6.899 -7.669 -6.693 1.00 0.00 O ATOM 0 H GLY A 7 -2.878 -6.985 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.549 -6.525 -7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.640 -8.209 -7.990 1.00 0.00 H new ATOM 95 N LYS A 8 -5.523 -7.957 -4.927 1.00 0.00 N ATOM 96 CA LYS A 8 -6.525 -8.024 -3.856 1.00 0.00 C ATOM 97 C LYS A 8 -7.402 -6.768 -3.856 1.00 0.00 C ATOM 98 O LYS A 8 -6.879 -5.660 -4.000 1.00 0.00 O ATOM 99 CB LYS A 8 -5.752 -8.156 -2.528 1.00 0.00 C ATOM 100 CG LYS A 8 -6.600 -8.411 -1.272 1.00 0.00 C ATOM 101 CD LYS A 8 -7.118 -9.854 -1.227 1.00 0.00 C ATOM 102 CE LYS A 8 -7.784 -10.138 0.124 1.00 0.00 C ATOM 103 NZ LYS A 8 -8.226 -11.555 0.229 1.00 0.00 N ATOM 0 H LYS A 8 -4.576 -8.103 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.191 -8.874 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.035 -8.971 -2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.177 -7.243 -2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.004 -8.209 -0.382 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.443 -7.720 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.833 -10.016 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.293 -10.549 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.085 -9.914 0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.642 -9.478 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.672 -11.712 1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.912 -11.761 -0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.403 -12.184 0.130 1.00 0.00 H new ATOM 117 N VAL A 9 -8.714 -6.941 -3.678 1.00 0.00 N ATOM 118 CA VAL A 9 -9.675 -5.849 -3.422 1.00 0.00 C ATOM 119 C VAL A 9 -9.362 -5.308 -2.017 1.00 0.00 C ATOM 120 O VAL A 9 -9.625 -6.028 -1.045 1.00 0.00 O ATOM 121 CB VAL A 9 -11.140 -6.329 -3.521 1.00 0.00 C ATOM 122 CG1 VAL A 9 -12.109 -5.160 -3.301 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.453 -6.946 -4.892 1.00 0.00 C ATOM 0 H VAL A 9 -9.154 -7.861 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.570 -5.070 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.267 -7.086 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.135 -5.519 -3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.945 -4.732 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.936 -4.397 -4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.494 -7.269 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.285 -6.203 -5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.802 -7.804 -5.062 1.00 0.00 H new ATOM 133 N PRO A 10 -8.738 -4.121 -1.867 1.00 0.00 N ATOM 134 CA PRO A 10 -8.217 -3.654 -0.582 1.00 0.00 C ATOM 135 C PRO A 10 -9.264 -3.649 0.543 1.00 0.00 C ATOM 136 O PRO A 10 -10.270 -2.936 0.477 1.00 0.00 O ATOM 137 CB PRO A 10 -7.629 -2.265 -0.844 1.00 0.00 C ATOM 138 CG PRO A 10 -7.308 -2.277 -2.336 1.00 0.00 C ATOM 139 CD PRO A 10 -8.436 -3.136 -2.903 1.00 0.00 C ATOM 0 HA PRO A 10 -7.457 -4.342 -0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.340 -1.477 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.736 -2.090 -0.245 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.308 -1.273 -2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.327 -2.708 -2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.312 -2.530 -3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.131 -3.622 -3.829 1.00 0.00 H new ATOM 147 N ARG A 11 -9.024 -4.457 1.581 1.00 0.00 N ATOM 148 CA ARG A 11 -9.777 -4.478 2.845 1.00 0.00 C ATOM 149 C ARG A 11 -9.416 -3.266 3.704 1.00 0.00 C ATOM 150 O ARG A 11 -10.309 -2.606 4.240 1.00 0.00 O ATOM 151 CB ARG A 11 -9.513 -5.794 3.603 1.00 0.00 C ATOM 152 CG ARG A 11 -9.812 -7.074 2.799 1.00 0.00 C ATOM 153 CD ARG A 11 -11.236 -7.100 2.226 1.00 0.00 C ATOM 154 NE ARG A 11 -11.641 -8.461 1.819 1.00 0.00 N ATOM 155 CZ ARG A 11 -11.516 -9.040 0.640 1.00 0.00 C ATOM 156 NH1 ARG A 11 -10.912 -8.480 -0.370 1.00 0.00 N ATOM 157 NH2 ARG A 11 -11.997 -10.234 0.451 1.00 0.00 N ATOM 0 H ARG A 11 -8.270 -5.143 1.565 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.842 -4.424 2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.469 -5.814 3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.117 -5.802 4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.095 -7.160 1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.668 -7.943 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.935 -6.721 2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.294 -6.432 1.367 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.075 -9.029 2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.508 -7.549 -0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.844 -8.973 -1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.469 -10.720 1.213 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.902 -10.684 -0.459 1.00 0.00 H new ATOM 171 N ARG A 12 -8.122 -2.932 3.766 1.00 0.00 N ATOM 172 CA ARG A 12 -7.554 -1.716 4.339 1.00 0.00 C ATOM 173 C ARG A 12 -6.659 -1.066 3.265 1.00 0.00 C ATOM 174 O ARG A 12 -5.489 -1.431 3.161 1.00 0.00 O ATOM 175 CB ARG A 12 -6.825 -2.137 5.628 1.00 0.00 C ATOM 176 CG ARG A 12 -6.078 -0.997 6.322 1.00 0.00 C ATOM 177 CD ARG A 12 -6.986 -0.042 7.106 1.00 0.00 C ATOM 178 NE ARG A 12 -7.419 -0.594 8.400 1.00 0.00 N ATOM 179 CZ ARG A 12 -6.714 -0.698 9.513 1.00 0.00 C ATOM 180 NH1 ARG A 12 -5.474 -0.311 9.611 1.00 0.00 N ATOM 181 NH2 ARG A 12 -7.261 -1.216 10.575 1.00 0.00 N ATOM 0 H ARG A 12 -7.400 -3.547 3.391 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.288 -0.960 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.552 -2.557 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.116 -2.930 5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.340 -1.421 7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.529 -0.427 5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.457 0.896 7.276 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.864 0.192 6.504 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.378 -0.938 8.443 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.001 0.095 8.804 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.976 -0.414 10.495 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.228 -1.539 10.545 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.722 -1.299 11.437 1.00 0.00 H new ATOM 195 N PRO A 13 -7.180 -0.169 2.405 1.00 0.00 N ATOM 196 CA PRO A 13 -6.421 0.450 1.320 1.00 0.00 C ATOM 197 C PRO A 13 -5.264 1.287 1.844 1.00 0.00 C ATOM 198 O PRO A 13 -5.423 2.159 2.701 1.00 0.00 O ATOM 199 CB PRO A 13 -7.415 1.274 0.492 1.00 0.00 C ATOM 200 CG PRO A 13 -8.593 1.465 1.440 1.00 0.00 C ATOM 201 CD PRO A 13 -8.575 0.146 2.203 1.00 0.00 C ATOM 0 HA PRO A 13 -5.955 -0.311 0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.988 2.229 0.185 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.712 0.751 -0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.457 2.323 2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.531 1.619 0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.098 0.237 3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.076 -0.640 1.638 1.00 0.00 H new ATOM 209 N VAL A 14 -4.096 1.015 1.280 1.00 0.00 N ATOM 210 CA VAL A 14 -2.828 1.692 1.584 1.00 0.00 C ATOM 211 C VAL A 14 -2.064 2.045 0.310 1.00 0.00 C ATOM 212 O VAL A 14 -2.216 1.394 -0.718 1.00 0.00 O ATOM 213 CB VAL A 14 -1.987 0.855 2.578 1.00 0.00 C ATOM 214 CG1 VAL A 14 -1.127 -0.236 1.939 1.00 0.00 C ATOM 215 CG2 VAL A 14 -1.003 1.716 3.356 1.00 0.00 C ATOM 0 H VAL A 14 -3.994 0.290 0.570 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.050 2.639 2.075 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.752 0.403 3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.576 -0.766 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.767 -0.938 1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.424 0.218 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.434 1.089 4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.321 2.207 2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.549 2.470 3.923 1.00 0.00 H new ATOM 225 N LEU A 15 -1.235 3.079 0.392 1.00 0.00 N ATOM 226 CA LEU A 15 -0.456 3.654 -0.701 1.00 0.00 C ATOM 227 C LEU A 15 0.974 3.976 -0.220 1.00 0.00 C ATOM 228 O LEU A 15 1.216 4.195 0.973 1.00 0.00 O ATOM 229 CB LEU A 15 -1.236 4.906 -1.171 1.00 0.00 C ATOM 230 CG LEU A 15 -0.557 5.823 -2.212 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.603 6.489 -3.112 1.00 0.00 C ATOM 232 CD2 LEU A 15 0.226 6.968 -1.553 1.00 0.00 C ATOM 0 H LEU A 15 -1.079 3.568 1.274 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.334 2.965 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.187 4.573 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.466 5.508 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 15 0.116 5.179 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.103 7.130 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.173 5.722 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.279 7.089 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.686 7.586 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.453 7.578 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.002 6.555 -0.909 1.00 0.00 H new ATOM 244 N SER A 16 1.916 4.047 -1.162 1.00 0.00 N ATOM 245 CA SER A 16 3.277 4.560 -0.969 1.00 0.00 C ATOM 246 C SER A 16 3.509 5.704 -1.969 1.00 0.00 C ATOM 247 O SER A 16 3.256 5.501 -3.163 1.00 0.00 O ATOM 248 CB SER A 16 4.328 3.460 -1.139 1.00 0.00 C ATOM 249 OG SER A 16 5.610 4.061 -1.171 1.00 0.00 O ATOM 0 H SER A 16 1.747 3.737 -2.119 1.00 0.00 H new ATOM 0 HA SER A 16 3.380 4.930 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.265 2.746 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.148 2.904 -2.059 1.00 0.00 H new ATOM 0 HG SER A 16 6.267 3.413 -1.501 1.00 0.00 H new ATOM 255 N PRO A 17 3.959 6.904 -1.540 1.00 0.00 N ATOM 256 CA PRO A 17 4.208 8.067 -2.407 1.00 0.00 C ATOM 257 C PRO A 17 5.135 7.856 -3.621 1.00 0.00 C ATOM 258 O PRO A 17 5.194 8.731 -4.491 1.00 0.00 O ATOM 259 CB PRO A 17 4.797 9.141 -1.486 1.00 0.00 C ATOM 260 CG PRO A 17 4.201 8.809 -0.124 1.00 0.00 C ATOM 261 CD PRO A 17 4.147 7.284 -0.146 1.00 0.00 C ATOM 0 HA PRO A 17 3.259 8.330 -2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.886 9.101 -1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.521 10.144 -1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.822 9.181 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.211 9.248 0.003 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.066 6.856 0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.329 6.914 0.472 1.00 0.00 H new ATOM 269 N LYS A 18 5.852 6.727 -3.696 1.00 0.00 N ATOM 270 CA LYS A 18 6.686 6.333 -4.843 1.00 0.00 C ATOM 271 C LYS A 18 5.828 5.743 -5.968 1.00 0.00 C ATOM 272 O LYS A 18 5.762 6.305 -7.062 1.00 0.00 O ATOM 273 CB LYS A 18 7.777 5.335 -4.415 1.00 0.00 C ATOM 274 CG LYS A 18 8.893 5.925 -3.537 1.00 0.00 C ATOM 275 CD LYS A 18 8.504 6.104 -2.056 1.00 0.00 C ATOM 276 CE LYS A 18 9.693 6.408 -1.135 1.00 0.00 C ATOM 277 NZ LYS A 18 10.729 5.350 -1.198 1.00 0.00 N ATOM 0 H LYS A 18 5.869 6.042 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 18 7.175 7.230 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.305 4.515 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.228 4.908 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.767 5.276 -3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.186 6.893 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.778 6.913 -1.976 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.010 5.197 -1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.134 7.364 -1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.340 6.509 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.297 5.368 -0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.271 4.421 -1.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.346 5.517 -2.018 1.00 0.00 H new ATOM 291 N SER A 19 5.156 4.624 -5.693 1.00 0.00 N ATOM 292 CA SER A 19 4.273 3.907 -6.618 1.00 0.00 C ATOM 293 C SER A 19 2.986 4.686 -6.918 1.00 0.00 C ATOM 294 O SER A 19 2.501 4.667 -8.052 1.00 0.00 O ATOM 295 CB SER A 19 3.892 2.558 -6.000 1.00 0.00 C ATOM 296 OG SER A 19 5.052 1.803 -5.681 1.00 0.00 O ATOM 0 H SER A 19 5.214 4.172 -4.780 1.00 0.00 H new ATOM 0 HA SER A 19 4.815 3.777 -7.555 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.299 2.720 -5.100 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.268 1.997 -6.696 1.00 0.00 H new ATOM 0 HG SER A 19 4.786 0.946 -5.286 1.00 0.00 H new ATOM 302 N ARG A 20 2.427 5.363 -5.901 1.00 0.00 N ATOM 303 CA ARG A 20 1.134 6.087 -5.890 1.00 0.00 C ATOM 304 C ARG A 20 -0.096 5.229 -6.249 1.00 0.00 C ATOM 305 O ARG A 20 -1.194 5.751 -6.443 1.00 0.00 O ATOM 306 CB ARG A 20 1.241 7.402 -6.691 1.00 0.00 C ATOM 307 CG ARG A 20 2.397 8.268 -6.165 1.00 0.00 C ATOM 308 CD ARG A 20 2.488 9.634 -6.843 1.00 0.00 C ATOM 309 NE ARG A 20 3.671 10.357 -6.343 1.00 0.00 N ATOM 310 CZ ARG A 20 4.054 11.589 -6.619 1.00 0.00 C ATOM 311 NH1 ARG A 20 3.376 12.365 -7.416 1.00 0.00 N ATOM 312 NH2 ARG A 20 5.139 12.066 -6.083 1.00 0.00 N ATOM 0 H ARG A 20 2.896 5.426 -4.998 1.00 0.00 H new ATOM 0 HA ARG A 20 0.937 6.351 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.399 7.179 -7.746 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.304 7.955 -6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.275 8.411 -5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.336 7.735 -6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.555 9.511 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.585 10.211 -6.643 1.00 0.00 H new ATOM 0 HE ARG A 20 4.271 9.838 -5.701 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.518 12.025 -7.850 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.703 13.312 -7.606 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.692 11.488 -5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.437 13.018 -6.295 1.00 0.00 H new ATOM 326 N THR A 21 0.085 3.912 -6.309 1.00 0.00 N ATOM 327 CA THR A 21 -0.933 2.862 -6.418 1.00 0.00 C ATOM 328 C THR A 21 -1.652 2.650 -5.079 1.00 0.00 C ATOM 329 O THR A 21 -1.201 3.163 -4.052 1.00 0.00 O ATOM 330 CB THR A 21 -0.235 1.559 -6.836 1.00 0.00 C ATOM 331 OG1 THR A 21 0.822 1.249 -5.951 1.00 0.00 O ATOM 332 CG2 THR A 21 0.419 1.673 -8.212 1.00 0.00 C ATOM 0 H THR A 21 1.024 3.516 -6.280 1.00 0.00 H new ATOM 0 HA THR A 21 -1.678 3.158 -7.157 1.00 0.00 H new ATOM 0 HB THR A 21 -1.016 0.798 -6.834 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.527 0.563 -5.316 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.900 0.728 -8.466 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.341 1.905 -8.958 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.165 2.467 -8.195 1.00 0.00 H new ATOM 340 N ILE A 22 -2.734 1.861 -5.046 1.00 0.00 N ATOM 341 CA ILE A 22 -3.410 1.476 -3.802 1.00 0.00 C ATOM 342 C ILE A 22 -3.417 -0.050 -3.722 1.00 0.00 C ATOM 343 O ILE A 22 -4.019 -0.725 -4.557 1.00 0.00 O ATOM 344 CB ILE A 22 -4.822 2.090 -3.687 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.784 3.633 -3.819 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.464 1.685 -2.345 1.00 0.00 C ATOM 347 CD1 ILE A 22 -6.165 4.301 -3.843 1.00 0.00 C ATOM 0 H ILE A 22 -3.166 1.471 -5.884 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.866 1.878 -2.947 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.426 1.702 -4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.210 4.043 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.251 3.894 -4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.460 2.122 -2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.539 0.599 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.847 2.047 -1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.046 5.380 -3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.737 3.924 -4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.695 4.074 -2.918 1.00 0.00 H new ATOM 359 N PHE A 23 -2.741 -0.576 -2.710 1.00 0.00 N ATOM 360 CA PHE A 23 -2.661 -1.993 -2.364 1.00 0.00 C ATOM 361 C PHE A 23 -3.337 -2.273 -1.024 1.00 0.00 C ATOM 362 O PHE A 23 -3.748 -1.371 -0.294 1.00 0.00 O ATOM 363 CB PHE A 23 -1.216 -2.553 -2.477 1.00 0.00 C ATOM 364 CG PHE A 23 -0.080 -1.558 -2.467 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.071 -0.704 -1.378 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.814 -1.465 -3.540 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.018 0.336 -1.409 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.783 -0.453 -3.577 1.00 0.00 C ATOM 369 CZ PHE A 23 1.875 0.465 -2.516 1.00 0.00 C ATOM 0 H PHE A 23 -2.202 0.007 -2.070 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.228 -2.552 -3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.060 -3.250 -1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.150 -3.130 -3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.545 -0.841 -0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.757 -2.180 -4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.086 1.032 -0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.457 -0.379 -4.418 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.600 1.265 -2.551 1.00 0.00 H new ATOM 379 N GLU A 24 -3.519 -3.555 -0.730 1.00 0.00 N ATOM 380 CA GLU A 24 -3.992 -3.989 0.580 1.00 0.00 C ATOM 381 C GLU A 24 -2.906 -3.701 1.642 1.00 0.00 C ATOM 382 O GLU A 24 -1.728 -3.981 1.401 1.00 0.00 O ATOM 383 CB GLU A 24 -4.393 -5.470 0.467 1.00 0.00 C ATOM 384 CG GLU A 24 -4.596 -6.210 1.795 1.00 0.00 C ATOM 385 CD GLU A 24 -5.468 -5.460 2.809 1.00 0.00 C ATOM 386 OE1 GLU A 24 -6.413 -4.759 2.389 1.00 0.00 O ATOM 387 OE2 GLU A 24 -5.153 -5.530 4.018 1.00 0.00 O ATOM 0 H GLU A 24 -3.345 -4.317 -1.386 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.874 -3.438 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.317 -5.534 -0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.626 -5.992 -0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.049 -7.180 1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.621 -6.402 2.243 1.00 0.00 H new ATOM 394 N LYS A 25 -3.279 -3.183 2.828 1.00 0.00 N ATOM 395 CA LYS A 25 -2.368 -2.937 3.961 1.00 0.00 C ATOM 396 C LYS A 25 -1.579 -4.193 4.262 1.00 0.00 C ATOM 397 O LYS A 25 -0.362 -4.138 4.404 1.00 0.00 O ATOM 398 CB LYS A 25 -3.142 -2.474 5.205 1.00 0.00 C ATOM 399 CG LYS A 25 -2.275 -2.219 6.454 1.00 0.00 C ATOM 400 CD LYS A 25 -1.288 -1.057 6.262 1.00 0.00 C ATOM 401 CE LYS A 25 -0.656 -0.608 7.587 1.00 0.00 C ATOM 402 NZ LYS A 25 0.423 -1.520 8.055 1.00 0.00 N ATOM 0 H LYS A 25 -4.243 -2.918 3.029 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.679 -2.139 3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.679 -1.557 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.892 -3.227 5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.923 -2.004 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.720 -3.125 6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.502 -1.361 5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.806 -0.214 5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.249 0.396 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.431 -0.549 8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.869 -1.122 8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.018 -2.451 8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.138 -1.625 7.307 1.00 0.00 H new ATOM 416 N SER A 26 -2.284 -5.320 4.308 1.00 0.00 N ATOM 417 CA SER A 26 -1.709 -6.618 4.642 1.00 0.00 C ATOM 418 C SER A 26 -0.597 -7.038 3.669 1.00 0.00 C ATOM 419 O SER A 26 0.449 -7.517 4.104 1.00 0.00 O ATOM 420 CB SER A 26 -2.780 -7.716 4.737 1.00 0.00 C ATOM 421 OG SER A 26 -3.857 -7.327 5.573 1.00 0.00 O ATOM 0 H SER A 26 -3.284 -5.357 4.112 1.00 0.00 H new ATOM 0 HA SER A 26 -1.257 -6.498 5.627 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.157 -7.944 3.740 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.330 -8.630 5.124 1.00 0.00 H new ATOM 0 HG SER A 26 -4.371 -6.617 5.135 1.00 0.00 H new ATOM 427 N LEU A 27 -0.777 -6.826 2.359 1.00 0.00 N ATOM 428 CA LEU A 27 0.187 -7.144 1.319 1.00 0.00 C ATOM 429 C LEU A 27 1.408 -6.227 1.348 1.00 0.00 C ATOM 430 O LEU A 27 2.529 -6.731 1.249 1.00 0.00 O ATOM 431 CB LEU A 27 -0.551 -7.007 -0.011 1.00 0.00 C ATOM 432 CG LEU A 27 -1.529 -8.144 -0.354 1.00 0.00 C ATOM 433 CD1 LEU A 27 -0.810 -9.142 -1.254 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.148 -8.977 0.771 1.00 0.00 C ATOM 0 H LEU A 27 -1.633 -6.412 1.989 1.00 0.00 H new ATOM 0 HA LEU A 27 0.572 -8.152 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.104 -6.068 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.188 -6.935 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.365 -7.597 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.488 -9.957 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.486 -8.641 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.059 -9.543 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.810 -9.730 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.357 -9.468 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.718 -8.326 1.434 1.00 0.00 H new ATOM 446 N LEU A 28 1.227 -4.907 1.501 1.00 0.00 N ATOM 447 CA LEU A 28 2.402 -4.029 1.615 1.00 0.00 C ATOM 448 C LEU A 28 3.157 -4.348 2.911 1.00 0.00 C ATOM 449 O LEU A 28 4.381 -4.406 2.904 1.00 0.00 O ATOM 450 CB LEU A 28 2.085 -2.527 1.494 1.00 0.00 C ATOM 451 CG LEU A 28 3.373 -1.656 1.541 1.00 0.00 C ATOM 452 CD1 LEU A 28 4.348 -1.949 0.399 1.00 0.00 C ATOM 453 CD2 LEU A 28 3.032 -0.170 1.485 1.00 0.00 C ATOM 0 H LEU A 28 0.322 -4.439 1.547 1.00 0.00 H new ATOM 0 HA LEU A 28 3.040 -4.241 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.556 -2.342 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.417 -2.231 2.303 1.00 0.00 H new ATOM 0 HG LEU A 28 3.854 -1.914 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.223 -1.306 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.658 -2.993 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.858 -1.757 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.951 0.416 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.498 0.046 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.403 0.091 2.336 1.00 0.00 H new ATOM 465 N GLU A 29 2.436 -4.628 4.002 1.00 0.00 N ATOM 466 CA GLU A 29 3.032 -4.998 5.298 1.00 0.00 C ATOM 467 C GLU A 29 3.875 -6.282 5.188 1.00 0.00 C ATOM 468 O GLU A 29 4.986 -6.358 5.718 1.00 0.00 O ATOM 469 CB GLU A 29 1.924 -5.108 6.355 1.00 0.00 C ATOM 470 CG GLU A 29 2.451 -5.268 7.785 1.00 0.00 C ATOM 471 CD GLU A 29 1.289 -5.218 8.799 1.00 0.00 C ATOM 472 OE1 GLU A 29 0.612 -4.165 8.896 1.00 0.00 O ATOM 473 OE2 GLU A 29 1.053 -6.224 9.508 1.00 0.00 O ATOM 0 H GLU A 29 1.416 -4.605 4.015 1.00 0.00 H new ATOM 0 HA GLU A 29 3.724 -4.216 5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.297 -4.218 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.288 -5.960 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.983 -6.215 7.879 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.168 -4.477 8.005 1.00 0.00 H new ATOM 480 N GLN A 30 3.390 -7.267 4.427 1.00 0.00 N ATOM 481 CA GLN A 30 4.129 -8.486 4.094 1.00 0.00 C ATOM 482 C GLN A 30 5.409 -8.173 3.307 1.00 0.00 C ATOM 483 O GLN A 30 6.494 -8.633 3.659 1.00 0.00 O ATOM 484 CB GLN A 30 3.218 -9.429 3.291 1.00 0.00 C ATOM 485 CG GLN A 30 3.769 -10.861 3.229 1.00 0.00 C ATOM 486 CD GLN A 30 2.827 -11.791 2.467 1.00 0.00 C ATOM 487 OE1 GLN A 30 2.942 -11.995 1.266 1.00 0.00 O ATOM 488 NE2 GLN A 30 1.858 -12.389 3.129 1.00 0.00 N ATOM 0 H GLN A 30 2.456 -7.238 4.018 1.00 0.00 H new ATOM 0 HA GLN A 30 4.431 -8.972 5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.226 -9.443 3.742 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.102 -9.043 2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.746 -10.855 2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.916 -11.239 4.241 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.750 -12.228 4.130 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.216 -13.013 2.640 1.00 0.00 H new ATOM 497 N TYR A 31 5.286 -7.375 2.247 1.00 0.00 N ATOM 498 CA TYR A 31 6.377 -7.084 1.317 1.00 0.00 C ATOM 499 C TYR A 31 7.485 -6.268 1.995 1.00 0.00 C ATOM 500 O TYR A 31 8.680 -6.495 1.798 1.00 0.00 O ATOM 501 CB TYR A 31 5.785 -6.354 0.102 1.00 0.00 C ATOM 502 CG TYR A 31 6.735 -6.167 -1.061 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.247 -7.287 -1.738 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.078 -4.876 -1.494 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.072 -7.119 -2.870 1.00 0.00 C ATOM 506 CE2 TYR A 31 7.940 -4.709 -2.594 1.00 0.00 C ATOM 507 CZ TYR A 31 8.431 -5.824 -3.295 1.00 0.00 C ATOM 508 OH TYR A 31 9.245 -5.640 -4.371 1.00 0.00 O ATOM 0 H TYR A 31 4.413 -6.906 2.006 1.00 0.00 H new ATOM 0 HA TYR A 31 6.846 -8.011 0.988 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.914 -6.909 -0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.432 -5.374 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.008 -8.281 -1.390 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.680 -4.011 -0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.429 -7.983 -3.411 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.227 -3.715 -2.902 1.00 0.00 H new ATOM 0 HH TYR A 31 9.383 -4.681 -4.517 1.00 0.00 H new ATOM 518 N VAL A 32 7.082 -5.347 2.870 1.00 0.00 N ATOM 519 CA VAL A 32 7.985 -4.415 3.539 1.00 0.00 C ATOM 520 C VAL A 32 8.669 -5.014 4.785 1.00 0.00 C ATOM 521 O VAL A 32 9.713 -4.531 5.222 1.00 0.00 O ATOM 522 CB VAL A 32 7.225 -3.104 3.835 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.374 -3.178 5.107 1.00 0.00 C ATOM 524 CG2 VAL A 32 8.124 -1.887 3.999 1.00 0.00 C ATOM 0 H VAL A 32 6.105 -5.227 3.137 1.00 0.00 H new ATOM 0 HA VAL A 32 8.814 -4.194 2.867 1.00 0.00 H new ATOM 0 HB VAL A 32 6.599 -2.988 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.865 -2.226 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.635 -3.972 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.016 -3.388 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.513 -1.008 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.812 -2.052 4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.692 -1.728 3.082 1.00 0.00 H new ATOM 534 N LYS A 33 8.129 -6.102 5.340 1.00 0.00 N ATOM 535 CA LYS A 33 8.803 -6.909 6.380 1.00 0.00 C ATOM 536 C LYS A 33 9.660 -8.031 5.773 1.00 0.00 C ATOM 537 O LYS A 33 10.533 -8.579 6.447 1.00 0.00 O ATOM 538 CB LYS A 33 7.813 -7.402 7.454 1.00 0.00 C ATOM 539 CG LYS A 33 7.008 -8.656 7.079 1.00 0.00 C ATOM 540 CD LYS A 33 6.014 -9.020 8.192 1.00 0.00 C ATOM 541 CE LYS A 33 5.187 -10.273 7.864 1.00 0.00 C ATOM 542 NZ LYS A 33 6.011 -11.513 7.849 1.00 0.00 N ATOM 0 H LYS A 33 7.207 -6.456 5.084 1.00 0.00 H new ATOM 0 HA LYS A 33 9.503 -6.256 6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.368 -7.607 8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.115 -6.596 7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.470 -8.483 6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.687 -9.491 6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.560 -9.183 9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.341 -8.180 8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.389 -10.380 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.711 -10.146 6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.407 -12.329 7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.757 -11.425 7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.445 -11.652 8.784 1.00 0.00 H new ATOM 556 N ASP A 34 9.444 -8.340 4.491 1.00 0.00 N ATOM 557 CA ASP A 34 10.257 -9.254 3.677 1.00 0.00 C ATOM 558 C ASP A 34 11.592 -8.606 3.292 1.00 0.00 C ATOM 559 O ASP A 34 12.662 -9.139 3.596 1.00 0.00 O ATOM 560 CB ASP A 34 9.493 -9.650 2.400 1.00 0.00 C ATOM 561 CG ASP A 34 9.186 -11.157 2.357 1.00 0.00 C ATOM 562 OD1 ASP A 34 8.321 -11.638 3.128 1.00 0.00 O ATOM 563 OD2 ASP A 34 9.829 -11.878 1.558 1.00 0.00 O ATOM 0 H ASP A 34 8.664 -7.943 3.967 1.00 0.00 H new ATOM 0 HA ASP A 34 10.459 -10.145 4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.560 -9.088 2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.082 -9.375 1.525 1.00 0.00 H new ATOM 568 N THR A 35 11.519 -7.458 2.614 1.00 0.00 N ATOM 569 CA THR A 35 12.676 -6.748 2.031 1.00 0.00 C ATOM 570 C THR A 35 12.611 -5.244 2.250 1.00 0.00 C ATOM 571 O THR A 35 13.622 -4.553 2.114 1.00 0.00 O ATOM 572 CB THR A 35 12.792 -7.005 0.520 1.00 0.00 C ATOM 573 OG1 THR A 35 11.606 -6.598 -0.126 1.00 0.00 O ATOM 574 CG2 THR A 35 13.049 -8.473 0.171 1.00 0.00 C ATOM 0 H THR A 35 10.634 -6.979 2.447 1.00 0.00 H new ATOM 0 HA THR A 35 13.549 -7.145 2.548 1.00 0.00 H new ATOM 0 HB THR A 35 13.651 -6.427 0.179 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.827 -5.996 -0.867 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.120 -8.583 -0.911 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.982 -8.798 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.228 -9.085 0.545 1.00 0.00 H new ATOM 582 N GLY A 36 11.433 -4.722 2.595 1.00 0.00 N ATOM 583 CA GLY A 36 11.192 -3.300 2.789 1.00 0.00 C ATOM 584 C GLY A 36 10.917 -2.545 1.489 1.00 0.00 C ATOM 585 O GLY A 36 10.522 -1.386 1.540 1.00 0.00 O ATOM 0 H GLY A 36 10.603 -5.294 2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.343 -3.172 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.058 -2.857 3.281 1.00 0.00 H new ATOM 589 N ASN A 37 11.123 -3.158 0.325 1.00 0.00 N ATOM 590 CA ASN A 37 11.053 -2.444 -0.950 1.00 0.00 C ATOM 591 C ASN A 37 9.652 -1.863 -1.255 1.00 0.00 C ATOM 592 O ASN A 37 8.629 -2.369 -0.796 1.00 0.00 O ATOM 593 CB ASN A 37 11.487 -3.408 -2.072 1.00 0.00 C ATOM 594 CG ASN A 37 12.945 -3.840 -2.012 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.266 -5.015 -1.966 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.887 -2.928 -2.051 1.00 0.00 N ATOM 0 H ASN A 37 11.340 -4.151 0.238 1.00 0.00 H new ATOM 0 HA ASN A 37 11.723 -1.586 -0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.857 -4.297 -2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.303 -2.930 -3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.868 -3.207 -2.043 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.639 -1.939 -2.090 1.00 0.00 H new ATOM 603 N ASP A 38 9.601 -0.797 -2.056 1.00 0.00 N ATOM 604 CA ASP A 38 8.370 -0.266 -2.659 1.00 0.00 C ATOM 605 C ASP A 38 8.000 -1.159 -3.871 1.00 0.00 C ATOM 606 O ASP A 38 8.869 -1.391 -4.715 1.00 0.00 O ATOM 607 CB ASP A 38 8.589 1.180 -3.125 1.00 0.00 C ATOM 608 CG ASP A 38 8.534 2.172 -1.956 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.491 2.213 -1.257 1.00 0.00 O ATOM 610 OD2 ASP A 38 9.502 2.940 -1.767 1.00 0.00 O ATOM 0 H ASP A 38 10.432 -0.264 -2.311 1.00 0.00 H new ATOM 0 HA ASP A 38 7.564 -0.271 -1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.556 1.259 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.829 1.443 -3.861 1.00 0.00 H new ATOM 615 N PRO A 39 6.761 -1.671 -4.014 1.00 0.00 N ATOM 616 CA PRO A 39 6.382 -2.698 -5.008 1.00 0.00 C ATOM 617 C PRO A 39 6.708 -2.476 -6.499 1.00 0.00 C ATOM 618 O PRO A 39 6.600 -3.430 -7.273 1.00 0.00 O ATOM 619 CB PRO A 39 4.869 -2.867 -4.841 1.00 0.00 C ATOM 620 CG PRO A 39 4.673 -2.594 -3.357 1.00 0.00 C ATOM 621 CD PRO A 39 5.668 -1.480 -3.068 1.00 0.00 C ATOM 0 HA PRO A 39 7.002 -3.566 -4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.311 -2.165 -5.461 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.539 -3.868 -5.117 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.651 -2.287 -3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.876 -3.480 -2.755 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.207 -0.501 -3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.026 -1.532 -2.040 1.00 0.00 H new ATOM 629 N ILE A 40 7.076 -1.263 -6.934 1.00 0.00 N ATOM 630 CA ILE A 40 7.240 -0.889 -8.358 1.00 0.00 C ATOM 631 C ILE A 40 8.600 -0.236 -8.637 1.00 0.00 C ATOM 632 O ILE A 40 9.234 -0.548 -9.646 1.00 0.00 O ATOM 633 CB ILE A 40 6.049 0.000 -8.788 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.789 -0.874 -8.995 1.00 0.00 C ATOM 635 CG2 ILE A 40 6.312 0.803 -10.078 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.492 -0.122 -8.714 1.00 0.00 C ATOM 0 H ILE A 40 7.274 -0.492 -6.296 1.00 0.00 H new ATOM 0 HA ILE A 40 7.233 -1.794 -8.965 1.00 0.00 H new ATOM 0 HB ILE A 40 5.902 0.720 -7.983 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.774 -1.244 -10.020 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.846 -1.745 -8.343 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.434 1.403 -10.318 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.170 1.459 -9.930 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.518 0.116 -10.899 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.644 -0.787 -8.876 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.489 0.225 -7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.415 0.734 -9.384 1.00 0.00 H new ATOM 648 N THR A 41 9.074 0.642 -7.746 1.00 0.00 N ATOM 649 CA THR A 41 10.392 1.300 -7.857 1.00 0.00 C ATOM 650 C THR A 41 11.498 0.530 -7.125 1.00 0.00 C ATOM 651 O THR A 41 12.678 0.837 -7.297 1.00 0.00 O ATOM 652 CB THR A 41 10.350 2.749 -7.358 1.00 0.00 C ATOM 653 OG1 THR A 41 9.616 2.807 -6.162 1.00 0.00 O ATOM 654 CG2 THR A 41 9.647 3.674 -8.352 1.00 0.00 C ATOM 0 H THR A 41 8.552 0.923 -6.916 1.00 0.00 H new ATOM 0 HA THR A 41 10.632 1.303 -8.920 1.00 0.00 H new ATOM 0 HB THR A 41 11.382 3.072 -7.224 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.671 2.966 -6.366 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.639 4.691 -7.960 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.178 3.656 -9.304 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.622 3.335 -8.502 1.00 0.00 H new ATOM 662 N ASN A 42 11.130 -0.474 -6.318 1.00 0.00 N ATOM 663 CA ASN A 42 11.947 -1.245 -5.392 1.00 0.00 C ATOM 664 C ASN A 42 12.920 -0.423 -4.531 1.00 0.00 C ATOM 665 O ASN A 42 13.971 -0.921 -4.124 1.00 0.00 O ATOM 666 CB ASN A 42 12.509 -2.492 -6.092 1.00 0.00 C ATOM 667 CG ASN A 42 13.617 -2.235 -7.106 1.00 0.00 C ATOM 668 OD1 ASN A 42 13.439 -2.388 -8.308 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.802 -1.884 -6.662 1.00 0.00 N ATOM 0 H ASN A 42 10.161 -0.791 -6.301 1.00 0.00 H new ATOM 0 HA ASN A 42 11.297 -1.621 -4.602 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.889 -3.174 -5.331 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.690 -3.003 -6.598 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.570 -1.740 -7.317 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.954 -1.756 -5.662 1.00 0.00 H new ATOM 676 N GLU A 43 12.561 0.818 -4.195 1.00 0.00 N ATOM 677 CA GLU A 43 13.362 1.599 -3.238 1.00 0.00 C ATOM 678 C GLU A 43 13.276 0.954 -1.842 1.00 0.00 C ATOM 679 O GLU A 43 12.175 0.569 -1.440 1.00 0.00 O ATOM 680 CB GLU A 43 12.915 3.063 -3.149 1.00 0.00 C ATOM 681 CG GLU A 43 12.825 3.754 -4.512 1.00 0.00 C ATOM 682 CD GLU A 43 12.915 5.289 -4.389 1.00 0.00 C ATOM 683 OE1 GLU A 43 12.386 5.856 -3.400 1.00 0.00 O ATOM 684 OE2 GLU A 43 13.519 5.937 -5.279 1.00 0.00 O ATOM 0 H GLU A 43 11.739 1.300 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 43 14.390 1.593 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.941 3.109 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.614 3.611 -2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.629 3.394 -5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.886 3.483 -4.994 1.00 0.00 H new ATOM 691 N PRO A 44 14.387 0.780 -1.102 1.00 0.00 N ATOM 692 CA PRO A 44 14.371 0.117 0.202 1.00 0.00 C ATOM 693 C PRO A 44 13.626 0.955 1.255 1.00 0.00 C ATOM 694 O PRO A 44 13.881 2.154 1.397 1.00 0.00 O ATOM 695 CB PRO A 44 15.845 -0.102 0.567 1.00 0.00 C ATOM 696 CG PRO A 44 16.573 1.010 -0.189 1.00 0.00 C ATOM 697 CD PRO A 44 15.742 1.173 -1.461 1.00 0.00 C ATOM 0 HA PRO A 44 13.832 -0.830 0.168 1.00 0.00 H new ATOM 0 HB2 PRO A 44 16.007 -0.028 1.642 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.192 -1.089 0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 44 16.608 1.933 0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.604 0.735 -0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.769 2.203 -1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 44 16.131 0.548 -2.265 1.00 0.00 H new ATOM 705 N LEU A 45 12.741 0.289 2.008 1.00 0.00 N ATOM 706 CA LEU A 45 11.794 0.827 3.002 1.00 0.00 C ATOM 707 C LEU A 45 10.598 1.559 2.345 1.00 0.00 C ATOM 708 O LEU A 45 10.717 2.225 1.317 1.00 0.00 O ATOM 709 CB LEU A 45 12.461 1.640 4.136 1.00 0.00 C ATOM 710 CG LEU A 45 13.293 0.812 5.141 1.00 0.00 C ATOM 711 CD1 LEU A 45 14.631 0.322 4.587 1.00 0.00 C ATOM 712 CD2 LEU A 45 13.595 1.668 6.373 1.00 0.00 C ATOM 0 H LEU A 45 12.660 -0.725 1.934 1.00 0.00 H new ATOM 0 HA LEU A 45 11.379 -0.046 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.108 2.394 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.684 2.172 4.685 1.00 0.00 H new ATOM 0 HG LEU A 45 12.689 -0.064 5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.154 -0.251 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.455 -0.311 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.239 1.178 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.182 1.087 7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 45 14.159 2.551 6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.660 1.976 6.840 1.00 0.00 H new ATOM 724 N SER A 46 9.427 1.414 2.976 1.00 0.00 N ATOM 725 CA SER A 46 8.091 1.809 2.500 1.00 0.00 C ATOM 726 C SER A 46 7.213 2.226 3.677 1.00 0.00 C ATOM 727 O SER A 46 6.501 3.223 3.631 1.00 0.00 O ATOM 728 CB SER A 46 7.414 0.650 1.761 1.00 0.00 C ATOM 729 OG SER A 46 6.423 1.116 0.872 1.00 0.00 O ATOM 0 H SER A 46 9.382 0.986 3.901 1.00 0.00 H new ATOM 0 HA SER A 46 8.213 2.649 1.816 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.162 0.082 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.965 -0.032 2.484 1.00 0.00 H new ATOM 0 HG SER A 46 6.840 1.375 0.024 1.00 0.00 H new ATOM 735 N ILE A 47 7.325 1.479 4.778 1.00 0.00 N ATOM 736 CA ILE A 47 6.625 1.695 6.053 1.00 0.00 C ATOM 737 C ILE A 47 6.891 3.054 6.706 1.00 0.00 C ATOM 738 O ILE A 47 5.973 3.697 7.210 1.00 0.00 O ATOM 739 CB ILE A 47 6.907 0.499 6.999 1.00 0.00 C ATOM 740 CG1 ILE A 47 5.926 0.398 8.180 1.00 0.00 C ATOM 741 CG2 ILE A 47 8.351 0.491 7.533 1.00 0.00 C ATOM 742 CD1 ILE A 47 4.544 -0.076 7.721 1.00 0.00 C ATOM 0 H ILE A 47 7.938 0.664 4.809 1.00 0.00 H new ATOM 0 HA ILE A 47 5.558 1.734 5.835 1.00 0.00 H new ATOM 0 HB ILE A 47 6.759 -0.377 6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.321 -0.294 8.924 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.836 1.370 8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.491 -0.368 8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.048 0.426 6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.538 1.409 8.091 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.876 -0.136 8.580 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.140 0.630 6.996 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.631 -1.060 7.260 1.00 0.00 H new ATOM 754 N GLU A 48 8.118 3.555 6.584 1.00 0.00 N ATOM 755 CA GLU A 48 8.525 4.900 7.001 1.00 0.00 C ATOM 756 C GLU A 48 7.871 5.997 6.140 1.00 0.00 C ATOM 757 O GLU A 48 7.968 7.184 6.454 1.00 0.00 O ATOM 758 CB GLU A 48 10.060 5.017 6.939 1.00 0.00 C ATOM 759 CG GLU A 48 10.791 4.132 7.961 1.00 0.00 C ATOM 760 CD GLU A 48 10.520 4.579 9.412 1.00 0.00 C ATOM 761 OE1 GLU A 48 11.156 5.554 9.881 1.00 0.00 O ATOM 762 OE2 GLU A 48 9.679 3.952 10.101 1.00 0.00 O ATOM 0 H GLU A 48 8.885 3.019 6.178 1.00 0.00 H new ATOM 0 HA GLU A 48 8.184 5.050 8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.395 4.751 5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.343 6.057 7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.474 3.097 7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.863 4.163 7.766 1.00 0.00 H new ATOM 769 N GLU A 49 7.177 5.601 5.067 1.00 0.00 N ATOM 770 CA GLU A 49 6.527 6.498 4.100 1.00 0.00 C ATOM 771 C GLU A 49 5.048 6.156 3.851 1.00 0.00 C ATOM 772 O GLU A 49 4.394 6.769 3.006 1.00 0.00 O ATOM 773 CB GLU A 49 7.340 6.509 2.788 1.00 0.00 C ATOM 774 CG GLU A 49 8.755 7.098 2.921 1.00 0.00 C ATOM 775 CD GLU A 49 8.793 8.583 3.350 1.00 0.00 C ATOM 776 OE1 GLU A 49 7.847 9.353 3.051 1.00 0.00 O ATOM 777 OE2 GLU A 49 9.812 9.008 3.949 1.00 0.00 O ATOM 0 H GLU A 49 7.047 4.615 4.839 1.00 0.00 H new ATOM 0 HA GLU A 49 6.518 7.500 4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.419 5.488 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.791 7.080 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.314 6.508 3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.269 6.996 1.965 1.00 0.00 H new ATOM 784 N ILE A 50 4.510 5.182 4.587 1.00 0.00 N ATOM 785 CA ILE A 50 3.192 4.590 4.337 1.00 0.00 C ATOM 786 C ILE A 50 2.024 5.564 4.566 1.00 0.00 C ATOM 787 O ILE A 50 1.984 6.331 5.533 1.00 0.00 O ATOM 788 CB ILE A 50 3.056 3.283 5.141 1.00 0.00 C ATOM 789 CG1 ILE A 50 2.015 2.353 4.497 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.751 3.509 6.633 1.00 0.00 C ATOM 791 CD1 ILE A 50 2.201 0.882 4.893 1.00 0.00 C ATOM 0 H ILE A 50 4.987 4.773 5.391 1.00 0.00 H new ATOM 0 HA ILE A 50 3.127 4.352 3.275 1.00 0.00 H new ATOM 0 HB ILE A 50 4.032 2.799 5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.016 2.678 4.787 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.077 2.443 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.668 2.546 7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.556 4.088 7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.812 4.053 6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.437 0.275 4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.188 0.543 4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.110 0.782 5.975 1.00 0.00 H new ATOM 803 N VAL A 51 1.061 5.507 3.646 1.00 0.00 N ATOM 804 CA VAL A 51 -0.187 6.297 3.620 1.00 0.00 C ATOM 805 C VAL A 51 -1.420 5.386 3.552 1.00 0.00 C ATOM 806 O VAL A 51 -1.796 4.935 2.471 1.00 0.00 O ATOM 807 CB VAL A 51 -0.180 7.318 2.458 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.421 8.223 2.496 1.00 0.00 C ATOM 809 CG2 VAL A 51 1.046 8.240 2.495 1.00 0.00 C ATOM 0 H VAL A 51 1.127 4.874 2.849 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.242 6.859 4.553 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.165 6.716 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.383 8.928 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.320 7.612 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.442 8.772 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.002 8.937 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.054 8.797 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.954 7.641 2.421 1.00 0.00 H new ATOM 819 N GLU A 52 -2.072 5.082 4.679 1.00 0.00 N ATOM 820 CA GLU A 52 -3.381 4.397 4.657 1.00 0.00 C ATOM 821 C GLU A 52 -4.483 5.358 4.178 1.00 0.00 C ATOM 822 O GLU A 52 -4.678 6.438 4.745 1.00 0.00 O ATOM 823 CB GLU A 52 -3.748 3.751 6.005 1.00 0.00 C ATOM 824 CG GLU A 52 -2.701 2.773 6.549 1.00 0.00 C ATOM 825 CD GLU A 52 -3.187 2.129 7.859 1.00 0.00 C ATOM 826 OE1 GLU A 52 -3.903 1.101 7.797 1.00 0.00 O ATOM 827 OE2 GLU A 52 -2.851 2.639 8.954 1.00 0.00 O ATOM 0 H GLU A 52 -1.723 5.295 5.614 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.297 3.576 3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.906 4.540 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.696 3.224 5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.501 1.998 5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.762 3.298 6.723 1.00 0.00 H new ATOM 834 N ILE A 53 -5.198 4.971 3.119 1.00 0.00 N ATOM 835 CA ILE A 53 -6.222 5.784 2.439 1.00 0.00 C ATOM 836 C ILE A 53 -7.540 5.772 3.231 1.00 0.00 C ATOM 837 O ILE A 53 -8.222 6.795 3.327 1.00 0.00 O ATOM 838 CB ILE A 53 -6.421 5.247 0.999 1.00 0.00 C ATOM 839 CG1 ILE A 53 -5.120 5.243 0.162 1.00 0.00 C ATOM 840 CG2 ILE A 53 -7.531 5.996 0.240 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.472 6.620 -0.031 1.00 0.00 C ATOM 0 H ILE A 53 -5.080 4.052 2.693 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.889 6.821 2.385 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.731 4.210 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.398 4.582 0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.337 4.819 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.630 5.581 -0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.475 5.885 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.275 7.053 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.567 6.516 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.171 7.283 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.217 7.042 0.941 1.00 0.00 H new