USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 440 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 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 GLN : amide:sc= -0.345 X(o=-0.35,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0946 K(o=-0.095,f=-0.66) USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 1.1 (180deg=0.923) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 67:sc= 0.582 USER MOD Single : A 17 LYS NZ :NH3+ 149:sc= -0.0119 (180deg=-1.07) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 25 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.17) USER MOD Single : A 26 LYS NZ :NH3+ 147:sc= -0.448 (180deg=-1.89!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -3.16 K(o=-3.2,f=-7.3!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc=-0.00689 (180deg=-0.0642) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 3.620 -0.595 -1.576 1.00 71.45 N ATOM 19 CA ALA A 2 4.903 -0.812 -2.234 1.00 13.41 C ATOM 20 C ALA A 2 5.935 0.212 -1.773 1.00 60.04 C ATOM 21 O ALA A 2 6.287 1.129 -2.514 1.00 4.12 O ATOM 22 CB ALA A 2 4.738 -0.754 -3.745 1.00 75.04 C ATOM 0 HA ALA A 2 5.263 -1.803 -1.957 1.00 13.41 H new ATOM 0 HB1 ALA A 2 5.704 -0.918 -4.223 1.00 75.04 H new ATOM 0 HB2 ALA A 2 4.039 -1.527 -4.065 1.00 75.04 H new ATOM 0 HB3 ALA A 2 4.352 0.224 -4.032 1.00 75.04 H new ATOM 28 N GLY A 3 6.416 0.049 -0.545 1.00 22.14 N ATOM 29 CA GLY A 3 7.403 0.967 -0.006 1.00 71.14 C ATOM 30 C GLY A 3 8.824 0.538 -0.316 1.00 35.25 C ATOM 31 O GLY A 3 9.736 1.364 -0.349 1.00 30.24 O ATOM 0 H GLY A 3 6.140 -0.703 0.087 1.00 22.14 H new ATOM 0 HA2 GLY A 3 7.230 1.963 -0.415 1.00 71.14 H new ATOM 0 HA3 GLY A 3 7.276 1.039 1.074 1.00 71.14 H new ATOM 35 N PHE A 4 9.013 -0.758 -0.541 1.00 73.10 N ATOM 36 CA PHE A 4 10.333 -1.296 -0.846 1.00 62.13 C ATOM 37 C PHE A 4 10.917 -0.632 -2.090 1.00 0.12 C ATOM 38 O PHE A 4 12.115 -0.350 -2.153 1.00 75.42 O ATOM 39 CB PHE A 4 10.255 -2.810 -1.052 1.00 62.31 C ATOM 40 CG PHE A 4 11.517 -3.405 -1.610 1.00 35.21 C ATOM 41 CD1 PHE A 4 12.524 -3.844 -0.766 1.00 35.33 C ATOM 42 CD2 PHE A 4 11.695 -3.525 -2.979 1.00 3.32 C ATOM 43 CE1 PHE A 4 13.685 -4.393 -1.276 1.00 3.43 C ATOM 44 CE2 PHE A 4 12.855 -4.073 -3.495 1.00 14.55 C ATOM 45 CZ PHE A 4 13.851 -4.506 -2.642 1.00 44.11 C ATOM 0 H PHE A 4 8.269 -1.455 -0.518 1.00 73.10 H new ATOM 0 HA PHE A 4 10.988 -1.084 -0.001 1.00 62.13 H new ATOM 0 HB2 PHE A 4 10.028 -3.287 -0.099 1.00 62.31 H new ATOM 0 HB3 PHE A 4 9.428 -3.035 -1.725 1.00 62.31 H new ATOM 0 HD1 PHE A 4 12.400 -3.756 0.303 1.00 35.33 H new ATOM 0 HD2 PHE A 4 10.919 -3.187 -3.650 1.00 3.32 H new ATOM 0 HE1 PHE A 4 14.462 -4.733 -0.607 1.00 3.43 H new ATOM 0 HE2 PHE A 4 12.982 -4.162 -4.564 1.00 14.55 H new ATOM 0 HZ PHE A 4 14.759 -4.932 -3.043 1.00 44.11 H new ATOM 55 N LEU A 5 10.063 -0.385 -3.077 1.00 2.41 N ATOM 56 CA LEU A 5 10.493 0.246 -4.320 1.00 51.22 C ATOM 57 C LEU A 5 10.647 1.753 -4.141 1.00 53.14 C ATOM 58 O LEU A 5 11.426 2.397 -4.845 1.00 21.45 O ATOM 59 CB LEU A 5 9.489 -0.047 -5.437 1.00 44.40 C ATOM 60 CG LEU A 5 9.555 -1.447 -6.048 1.00 43.55 C ATOM 61 CD1 LEU A 5 8.162 -2.045 -6.164 1.00 52.40 C ATOM 62 CD2 LEU A 5 10.233 -1.402 -7.410 1.00 63.51 C ATOM 0 H LEU A 5 9.069 -0.612 -3.041 1.00 2.41 H new ATOM 0 HA LEU A 5 11.463 -0.169 -4.593 1.00 51.22 H new ATOM 0 HB2 LEU A 5 8.484 0.110 -5.045 1.00 44.40 H new ATOM 0 HB3 LEU A 5 9.638 0.683 -6.233 1.00 44.40 H new ATOM 0 HG LEU A 5 10.147 -2.083 -5.390 1.00 43.55 H new ATOM 0 HD11 LEU A 5 8.229 -3.041 -6.601 1.00 52.40 H new ATOM 0 HD12 LEU A 5 7.711 -2.113 -5.174 1.00 52.40 H new ATOM 0 HD13 LEU A 5 7.545 -1.410 -6.801 1.00 52.40 H new ATOM 0 HD21 LEU A 5 10.272 -2.407 -7.831 1.00 63.51 H new ATOM 0 HD22 LEU A 5 9.667 -0.751 -8.077 1.00 63.51 H new ATOM 0 HD23 LEU A 5 11.246 -1.016 -7.299 1.00 63.51 H new ATOM 74 N LYS A 6 9.900 2.311 -3.194 1.00 70.43 N ATOM 75 CA LYS A 6 9.955 3.741 -2.919 1.00 52.41 C ATOM 76 C LYS A 6 11.208 4.095 -2.125 1.00 10.04 C ATOM 77 O LYS A 6 11.829 5.132 -2.355 1.00 43.54 O ATOM 78 CB LYS A 6 8.708 4.182 -2.148 1.00 62.52 C ATOM 79 CG LYS A 6 8.814 5.582 -1.570 1.00 32.03 C ATOM 80 CD LYS A 6 8.984 6.625 -2.661 1.00 74.05 C ATOM 81 CE LYS A 6 7.726 6.758 -3.506 1.00 15.02 C ATOM 82 NZ LYS A 6 7.911 7.716 -4.631 1.00 2.14 N ATOM 0 H LYS A 6 9.249 1.793 -2.604 1.00 70.43 H new ATOM 0 HA LYS A 6 9.990 4.267 -3.873 1.00 52.41 H new ATOM 0 HB2 LYS A 6 7.845 4.137 -2.813 1.00 62.52 H new ATOM 0 HB3 LYS A 6 8.524 3.476 -1.338 1.00 62.52 H new ATOM 0 HG2 LYS A 6 7.919 5.805 -0.989 1.00 32.03 H new ATOM 0 HG3 LYS A 6 9.660 5.630 -0.884 1.00 32.03 H new ATOM 0 HD2 LYS A 6 9.225 7.588 -2.211 1.00 74.05 H new ATOM 0 HD3 LYS A 6 9.825 6.352 -3.299 1.00 74.05 H new ATOM 0 HE2 LYS A 6 7.450 5.781 -3.903 1.00 15.02 H new ATOM 0 HE3 LYS A 6 6.900 7.091 -2.878 1.00 15.02 H new ATOM 0 HZ1 LYS A 6 7.031 7.778 -5.182 1.00 2.14 H new ATOM 0 HZ2 LYS A 6 8.149 8.655 -4.252 1.00 2.14 H new ATOM 0 HZ3 LYS A 6 8.682 7.385 -5.245 1.00 2.14 H new ATOM 96 N VAL A 7 11.575 3.225 -1.189 1.00 0.32 N ATOM 97 CA VAL A 7 12.756 3.445 -0.362 1.00 72.30 C ATOM 98 C VAL A 7 14.033 3.327 -1.186 1.00 1.11 C ATOM 99 O VAL A 7 15.066 3.898 -0.835 1.00 31.31 O ATOM 100 CB VAL A 7 12.817 2.443 0.806 1.00 62.50 C ATOM 101 CG1 VAL A 7 11.618 2.619 1.725 1.00 40.01 C ATOM 102 CG2 VAL A 7 12.892 1.017 0.281 1.00 74.22 C ATOM 0 H VAL A 7 11.072 2.362 -0.985 1.00 0.32 H new ATOM 0 HA VAL A 7 12.678 4.455 0.039 1.00 72.30 H new ATOM 0 HB VAL A 7 13.719 2.641 1.384 1.00 62.50 H new ATOM 0 HG11 VAL A 7 11.679 1.902 2.544 1.00 40.01 H new ATOM 0 HG12 VAL A 7 11.614 3.632 2.128 1.00 40.01 H new ATOM 0 HG13 VAL A 7 10.700 2.449 1.162 1.00 40.01 H new ATOM 0 HG21 VAL A 7 12.934 0.322 1.120 1.00 74.22 H new ATOM 0 HG22 VAL A 7 12.009 0.804 -0.322 1.00 74.22 H new ATOM 0 HG23 VAL A 7 13.786 0.901 -0.332 1.00 74.22 H new ATOM 112 N VAL A 8 13.956 2.583 -2.285 1.00 13.03 N ATOM 113 CA VAL A 8 15.105 2.391 -3.161 1.00 3.32 C ATOM 114 C VAL A 8 15.280 3.575 -4.105 1.00 50.23 C ATOM 115 O VAL A 8 16.378 3.830 -4.600 1.00 33.13 O ATOM 116 CB VAL A 8 14.969 1.102 -3.992 1.00 31.44 C ATOM 117 CG1 VAL A 8 16.149 0.949 -4.939 1.00 51.53 C ATOM 118 CG2 VAL A 8 14.848 -0.109 -3.079 1.00 30.31 C ATOM 0 H VAL A 8 13.109 2.103 -2.590 1.00 13.03 H new ATOM 0 HA VAL A 8 15.982 2.309 -2.519 1.00 3.32 H new ATOM 0 HB VAL A 8 14.061 1.171 -4.591 1.00 31.44 H new ATOM 0 HG11 VAL A 8 16.035 0.032 -5.518 1.00 51.53 H new ATOM 0 HG12 VAL A 8 16.186 1.803 -5.616 1.00 51.53 H new ATOM 0 HG13 VAL A 8 17.074 0.902 -4.364 1.00 51.53 H new ATOM 0 HG21 VAL A 8 14.753 -1.012 -3.683 1.00 30.31 H new ATOM 0 HG22 VAL A 8 15.737 -0.183 -2.453 1.00 30.31 H new ATOM 0 HG23 VAL A 8 13.967 -0.001 -2.446 1.00 30.31 H new ATOM 128 N GLN A 9 14.190 4.295 -4.350 1.00 41.35 N ATOM 129 CA GLN A 9 14.223 5.453 -5.236 1.00 63.04 C ATOM 130 C GLN A 9 15.107 6.555 -4.660 1.00 35.52 C ATOM 131 O GLN A 9 15.642 7.385 -5.396 1.00 21.43 O ATOM 132 CB GLN A 9 12.808 5.986 -5.467 1.00 62.11 C ATOM 133 CG GLN A 9 12.022 5.197 -6.502 1.00 21.23 C ATOM 134 CD GLN A 9 11.032 6.056 -7.262 1.00 53.43 C ATOM 135 OE1 GLN A 9 11.345 7.178 -7.663 1.00 32.12 O ATOM 136 NE2 GLN A 9 9.828 5.534 -7.466 1.00 20.12 N ATOM 0 H GLN A 9 13.274 4.097 -3.948 1.00 41.35 H new ATOM 0 HA GLN A 9 14.644 5.136 -6.190 1.00 63.04 H new ATOM 0 HB2 GLN A 9 12.265 5.972 -4.522 1.00 62.11 H new ATOM 0 HB3 GLN A 9 12.868 7.027 -5.785 1.00 62.11 H new ATOM 0 HG2 GLN A 9 12.715 4.738 -7.207 1.00 21.23 H new ATOM 0 HG3 GLN A 9 11.488 4.386 -6.007 1.00 21.23 H new ATOM 0 HE21 GLN A 9 9.611 4.601 -7.116 1.00 20.12 H new ATOM 0 HE22 GLN A 9 9.120 6.066 -7.972 1.00 20.12 H new ATOM 145 N LEU A 10 15.254 6.557 -3.340 1.00 4.04 N ATOM 146 CA LEU A 10 16.073 7.557 -2.663 1.00 51.43 C ATOM 147 C LEU A 10 17.556 7.226 -2.794 1.00 21.03 C ATOM 148 O LEU A 10 18.409 8.112 -2.727 1.00 64.22 O ATOM 149 CB LEU A 10 15.687 7.647 -1.186 1.00 34.01 C ATOM 150 CG LEU A 10 14.204 7.879 -0.893 1.00 31.53 C ATOM 151 CD1 LEU A 10 13.980 8.081 0.598 1.00 52.02 C ATOM 152 CD2 LEU A 10 13.685 9.074 -1.679 1.00 70.51 C ATOM 0 H LEU A 10 14.817 5.878 -2.717 1.00 4.04 H new ATOM 0 HA LEU A 10 15.892 8.521 -3.138 1.00 51.43 H new ATOM 0 HB2 LEU A 10 15.994 6.724 -0.694 1.00 34.01 H new ATOM 0 HB3 LEU A 10 16.258 8.456 -0.731 1.00 34.01 H new ATOM 0 HG LEU A 10 13.649 6.995 -1.207 1.00 31.53 H new ATOM 0 HD11 LEU A 10 12.919 8.245 0.788 1.00 52.02 H new ATOM 0 HD12 LEU A 10 14.313 7.195 1.139 1.00 52.02 H new ATOM 0 HD13 LEU A 10 14.547 8.948 0.937 1.00 52.02 H new ATOM 0 HD21 LEU A 10 12.628 9.224 -1.458 1.00 70.51 H new ATOM 0 HD22 LEU A 10 14.245 9.966 -1.397 1.00 70.51 H new ATOM 0 HD23 LEU A 10 13.810 8.890 -2.746 1.00 70.51 H new ATOM 164 N LEU A 11 17.856 5.946 -2.982 1.00 25.35 N ATOM 165 CA LEU A 11 19.237 5.497 -3.124 1.00 22.30 C ATOM 166 C LEU A 11 19.846 6.012 -4.424 1.00 71.12 C ATOM 167 O LEU A 11 21.061 5.966 -4.613 1.00 41.21 O ATOM 168 CB LEU A 11 19.304 3.969 -3.087 1.00 32.14 C ATOM 169 CG LEU A 11 19.285 3.330 -1.697 1.00 54.15 C ATOM 170 CD1 LEU A 11 20.458 3.825 -0.866 1.00 60.22 C ATOM 171 CD2 LEU A 11 17.968 3.624 -0.993 1.00 41.33 C ATOM 0 H LEU A 11 17.162 5.201 -3.040 1.00 25.35 H new ATOM 0 HA LEU A 11 19.811 5.900 -2.290 1.00 22.30 H new ATOM 0 HB2 LEU A 11 18.464 3.574 -3.658 1.00 32.14 H new ATOM 0 HB3 LEU A 11 20.213 3.653 -3.598 1.00 32.14 H new ATOM 0 HG LEU A 11 19.379 2.250 -1.813 1.00 54.15 H new ATOM 0 HD11 LEU A 11 20.428 3.360 0.119 1.00 60.22 H new ATOM 0 HD12 LEU A 11 21.392 3.563 -1.363 1.00 60.22 H new ATOM 0 HD13 LEU A 11 20.396 4.908 -0.758 1.00 60.22 H new ATOM 0 HD21 LEU A 11 17.972 3.162 -0.006 1.00 41.33 H new ATOM 0 HD22 LEU A 11 17.844 4.702 -0.889 1.00 41.33 H new ATOM 0 HD23 LEU A 11 17.143 3.219 -1.580 1.00 41.33 H new ATOM 183 N ALA A 12 18.993 6.504 -5.317 1.00 31.03 N ATOM 184 CA ALA A 12 19.447 7.032 -6.597 1.00 41.01 C ATOM 185 C ALA A 12 20.563 8.054 -6.405 1.00 73.21 C ATOM 186 O ALA A 12 21.692 7.847 -6.851 1.00 14.32 O ATOM 187 CB ALA A 12 18.283 7.654 -7.354 1.00 42.51 C ATOM 0 H ALA A 12 17.984 6.548 -5.177 1.00 31.03 H new ATOM 0 HA ALA A 12 19.846 6.204 -7.183 1.00 41.01 H new ATOM 0 HB1 ALA A 12 18.637 8.044 -8.308 1.00 42.51 H new ATOM 0 HB2 ALA A 12 17.519 6.897 -7.532 1.00 42.51 H new ATOM 0 HB3 ALA A 12 17.858 8.467 -6.765 1.00 42.51 H new ATOM 193 N LYS A 13 20.240 9.157 -5.739 1.00 54.44 N ATOM 194 CA LYS A 13 21.214 10.212 -5.487 1.00 40.32 C ATOM 195 C LYS A 13 22.414 9.672 -4.715 1.00 74.25 C ATOM 196 O LYS A 13 23.516 10.212 -4.806 1.00 24.24 O ATOM 197 CB LYS A 13 20.566 11.358 -4.706 1.00 72.33 C ATOM 198 CG LYS A 13 19.977 10.929 -3.373 1.00 63.54 C ATOM 199 CD LYS A 13 20.986 11.072 -2.246 1.00 64.34 C ATOM 200 CE LYS A 13 20.310 11.446 -0.937 1.00 13.14 C ATOM 201 NZ LYS A 13 19.181 10.530 -0.614 1.00 30.12 N ATOM 0 H LYS A 13 19.310 9.344 -5.364 1.00 54.44 H new ATOM 0 HA LYS A 13 21.562 10.587 -6.449 1.00 40.32 H new ATOM 0 HB2 LYS A 13 21.311 12.134 -4.532 1.00 72.33 H new ATOM 0 HB3 LYS A 13 19.779 11.802 -5.315 1.00 72.33 H new ATOM 0 HG2 LYS A 13 19.096 11.532 -3.153 1.00 63.54 H new ATOM 0 HG3 LYS A 13 19.646 9.892 -3.437 1.00 63.54 H new ATOM 0 HD2 LYS A 13 21.529 10.135 -2.122 1.00 64.34 H new ATOM 0 HD3 LYS A 13 21.720 11.834 -2.508 1.00 64.34 H new ATOM 0 HE2 LYS A 13 21.042 11.419 -0.130 1.00 13.14 H new ATOM 0 HE3 LYS A 13 19.941 12.470 -0.998 1.00 13.14 H new ATOM 0 HZ1 LYS A 13 18.622 10.930 0.167 1.00 30.12 H new ATOM 0 HZ2 LYS A 13 18.575 10.417 -1.452 1.00 30.12 H new ATOM 0 HZ3 LYS A 13 19.557 9.602 -0.331 1.00 30.12 H new ATOM 215 N TYR A 14 22.191 8.603 -3.959 1.00 25.02 N ATOM 216 CA TYR A 14 23.254 7.990 -3.171 1.00 2.23 C ATOM 217 C TYR A 14 24.235 7.241 -4.068 1.00 34.32 C ATOM 218 O TYR A 14 25.404 7.071 -3.724 1.00 13.50 O ATOM 219 CB TYR A 14 22.662 7.035 -2.133 1.00 64.21 C ATOM 220 CG TYR A 14 22.357 7.694 -0.807 1.00 53.54 C ATOM 221 CD1 TYR A 14 23.365 8.280 -0.052 1.00 14.34 C ATOM 222 CD2 TYR A 14 21.059 7.733 -0.311 1.00 64.22 C ATOM 223 CE1 TYR A 14 23.090 8.883 1.160 1.00 12.34 C ATOM 224 CE2 TYR A 14 20.775 8.335 0.899 1.00 1.02 C ATOM 225 CZ TYR A 14 21.794 8.908 1.631 1.00 13.35 C ATOM 226 OH TYR A 14 21.516 9.509 2.838 1.00 53.43 O ATOM 0 H TYR A 14 21.284 8.143 -3.875 1.00 25.02 H new ATOM 0 HA TYR A 14 23.795 8.785 -2.657 1.00 2.23 H new ATOM 0 HB2 TYR A 14 21.746 6.601 -2.532 1.00 64.21 H new ATOM 0 HB3 TYR A 14 23.359 6.213 -1.969 1.00 64.21 H new ATOM 0 HD1 TYR A 14 24.381 8.264 -0.419 1.00 14.34 H new ATOM 0 HD2 TYR A 14 20.259 7.285 -0.882 1.00 64.22 H new ATOM 0 HE1 TYR A 14 23.886 9.332 1.736 1.00 12.34 H new ATOM 0 HE2 TYR A 14 19.761 8.357 1.270 1.00 1.02 H new ATOM 0 HH TYR A 14 20.556 9.441 3.024 1.00 53.43 H new ATOM 236 N GLY A 15 23.748 6.794 -5.222 1.00 21.33 N ATOM 237 CA GLY A 15 24.593 6.068 -6.152 1.00 23.02 C ATOM 238 C GLY A 15 24.082 4.668 -6.428 1.00 63.04 C ATOM 239 O GLY A 15 23.050 4.260 -5.896 1.00 51.33 O ATOM 0 H GLY A 15 22.784 6.922 -5.529 1.00 21.33 H new ATOM 0 HA2 GLY A 15 24.654 6.620 -7.090 1.00 23.02 H new ATOM 0 HA3 GLY A 15 25.604 6.010 -5.750 1.00 23.02 H new ATOM 243 N SER A 16 24.806 3.930 -7.265 1.00 14.15 N ATOM 244 CA SER A 16 24.416 2.569 -7.615 1.00 44.35 C ATOM 245 C SER A 16 25.151 1.553 -6.747 1.00 21.14 C ATOM 246 O SER A 16 25.357 0.408 -7.149 1.00 31.42 O ATOM 247 CB SER A 16 24.706 2.298 -9.093 1.00 4.30 C ATOM 248 OG SER A 16 26.017 1.791 -9.271 1.00 24.54 O ATOM 0 H SER A 16 25.664 4.252 -7.712 1.00 14.15 H new ATOM 0 HA SER A 16 23.346 2.466 -7.436 1.00 44.35 H new ATOM 0 HB2 SER A 16 23.981 1.585 -9.484 1.00 4.30 H new ATOM 0 HB3 SER A 16 24.588 3.219 -9.665 1.00 4.30 H new ATOM 0 HG SER A 16 26.080 0.900 -8.869 1.00 24.54 H new ATOM 254 N LYS A 17 25.545 1.980 -5.552 1.00 12.53 N ATOM 255 CA LYS A 17 26.256 1.110 -4.623 1.00 72.21 C ATOM 256 C LYS A 17 25.384 0.772 -3.418 1.00 73.21 C ATOM 257 O LYS A 17 25.314 -0.381 -2.994 1.00 63.54 O ATOM 258 CB LYS A 17 27.552 1.777 -4.157 1.00 32.10 C ATOM 259 CG LYS A 17 28.739 1.498 -5.062 1.00 62.12 C ATOM 260 CD LYS A 17 30.044 1.942 -4.423 1.00 22.52 C ATOM 261 CE LYS A 17 30.350 3.399 -4.734 1.00 22.33 C ATOM 262 NZ LYS A 17 29.621 4.325 -3.823 1.00 64.15 N ATOM 0 H LYS A 17 25.383 2.925 -5.204 1.00 12.53 H new ATOM 0 HA LYS A 17 26.498 0.184 -5.145 1.00 72.21 H new ATOM 0 HB2 LYS A 17 27.396 2.854 -4.098 1.00 32.10 H new ATOM 0 HB3 LYS A 17 27.786 1.434 -3.149 1.00 32.10 H new ATOM 0 HG2 LYS A 17 28.786 0.432 -5.284 1.00 62.12 H new ATOM 0 HG3 LYS A 17 28.603 2.016 -6.012 1.00 62.12 H new ATOM 0 HD2 LYS A 17 29.987 1.804 -3.343 1.00 22.52 H new ATOM 0 HD3 LYS A 17 30.859 1.313 -4.782 1.00 22.52 H new ATOM 0 HE2 LYS A 17 31.423 3.572 -4.645 1.00 22.33 H new ATOM 0 HE3 LYS A 17 30.076 3.615 -5.767 1.00 22.33 H new ATOM 0 HZ1 LYS A 17 30.186 5.186 -3.679 1.00 64.15 H new ATOM 0 HZ2 LYS A 17 28.705 4.578 -4.246 1.00 64.15 H new ATOM 0 HZ3 LYS A 17 29.462 3.858 -2.908 1.00 64.15 H new ATOM 276 N ALA A 18 24.719 1.785 -2.872 1.00 21.43 N ATOM 277 CA ALA A 18 23.849 1.594 -1.718 1.00 71.50 C ATOM 278 C ALA A 18 22.556 0.889 -2.116 1.00 43.11 C ATOM 279 O ALA A 18 21.912 0.240 -1.292 1.00 12.21 O ATOM 280 CB ALA A 18 23.542 2.931 -1.061 1.00 5.12 C ATOM 0 H ALA A 18 24.766 2.746 -3.210 1.00 21.43 H new ATOM 0 HA ALA A 18 24.372 0.961 -1.001 1.00 71.50 H new ATOM 0 HB1 ALA A 18 22.891 2.773 -0.201 1.00 5.12 H new ATOM 0 HB2 ALA A 18 24.471 3.397 -0.733 1.00 5.12 H new ATOM 0 HB3 ALA A 18 23.043 3.583 -1.778 1.00 5.12 H new ATOM 286 N VAL A 19 22.182 1.022 -3.385 1.00 31.43 N ATOM 287 CA VAL A 19 20.966 0.397 -3.892 1.00 40.31 C ATOM 288 C VAL A 19 21.156 -1.104 -4.079 1.00 52.33 C ATOM 289 O VAL A 19 20.212 -1.881 -3.936 1.00 42.43 O ATOM 290 CB VAL A 19 20.533 1.020 -5.233 1.00 32.13 C ATOM 291 CG1 VAL A 19 21.614 0.828 -6.285 1.00 62.10 C ATOM 292 CG2 VAL A 19 19.214 0.421 -5.696 1.00 73.23 C ATOM 0 H VAL A 19 22.703 1.556 -4.080 1.00 31.43 H new ATOM 0 HA VAL A 19 20.187 0.571 -3.150 1.00 40.31 H new ATOM 0 HB VAL A 19 20.389 2.091 -5.087 1.00 32.13 H new ATOM 0 HG11 VAL A 19 21.290 1.274 -7.225 1.00 62.10 H new ATOM 0 HG12 VAL A 19 22.534 1.309 -5.953 1.00 62.10 H new ATOM 0 HG13 VAL A 19 21.794 -0.237 -6.432 1.00 62.10 H new ATOM 0 HG21 VAL A 19 18.923 0.872 -6.645 1.00 73.23 H new ATOM 0 HG22 VAL A 19 19.329 -0.655 -5.826 1.00 73.23 H new ATOM 0 HG23 VAL A 19 18.444 0.616 -4.950 1.00 73.23 H new ATOM 302 N GLN A 20 22.382 -1.504 -4.399 1.00 61.22 N ATOM 303 CA GLN A 20 22.695 -2.913 -4.606 1.00 64.11 C ATOM 304 C GLN A 20 22.403 -3.726 -3.349 1.00 72.14 C ATOM 305 O GLN A 20 22.142 -4.927 -3.422 1.00 41.02 O ATOM 306 CB GLN A 20 24.163 -3.078 -5.004 1.00 42.21 C ATOM 307 CG GLN A 20 24.434 -4.326 -5.829 1.00 55.20 C ATOM 308 CD GLN A 20 25.914 -4.591 -6.018 1.00 21.45 C ATOM 309 OE1 GLN A 20 26.709 -3.663 -6.166 1.00 2.14 O ATOM 310 NE2 GLN A 20 26.293 -5.864 -6.013 1.00 32.11 N ATOM 0 H GLN A 20 23.174 -0.873 -4.521 1.00 61.22 H new ATOM 0 HA GLN A 20 22.063 -3.285 -5.412 1.00 64.11 H new ATOM 0 HB2 GLN A 20 24.477 -2.202 -5.572 1.00 42.21 H new ATOM 0 HB3 GLN A 20 24.774 -3.109 -4.102 1.00 42.21 H new ATOM 0 HG2 GLN A 20 23.974 -5.186 -5.342 1.00 55.20 H new ATOM 0 HG3 GLN A 20 23.960 -4.222 -6.805 1.00 55.20 H new ATOM 0 HE21 GLN A 20 25.600 -6.602 -5.887 1.00 32.11 H new ATOM 0 HE22 GLN A 20 27.277 -6.104 -6.135 1.00 32.11 H new ATOM 319 N TRP A 21 22.448 -3.064 -2.199 1.00 62.10 N ATOM 320 CA TRP A 21 22.188 -3.726 -0.926 1.00 21.23 C ATOM 321 C TRP A 21 20.717 -4.106 -0.800 1.00 71.22 C ATOM 322 O TRP A 21 20.380 -5.282 -0.662 1.00 13.42 O ATOM 323 CB TRP A 21 22.594 -2.819 0.237 1.00 41.33 C ATOM 324 CG TRP A 21 22.706 -3.542 1.544 1.00 34.54 C ATOM 325 CD1 TRP A 21 23.602 -4.521 1.866 1.00 62.34 C ATOM 326 CD2 TRP A 21 21.891 -3.346 2.705 1.00 13.50 C ATOM 327 NE1 TRP A 21 23.394 -4.945 3.156 1.00 13.31 N ATOM 328 CE2 TRP A 21 22.350 -4.238 3.693 1.00 61.40 C ATOM 329 CE3 TRP A 21 20.819 -2.501 3.007 1.00 44.43 C ATOM 330 CZ2 TRP A 21 21.773 -4.309 4.958 1.00 23.12 C ATOM 331 CZ3 TRP A 21 20.248 -2.572 4.263 1.00 73.22 C ATOM 332 CH2 TRP A 21 20.726 -3.470 5.226 1.00 33.42 C ATOM 0 H TRP A 21 22.662 -2.070 -2.122 1.00 62.10 H new ATOM 0 HA TRP A 21 22.784 -4.638 -0.892 1.00 21.23 H new ATOM 0 HB2 TRP A 21 23.551 -2.351 0.006 1.00 41.33 H new ATOM 0 HB3 TRP A 21 21.862 -2.017 0.335 1.00 41.33 H new ATOM 0 HD1 TRP A 21 24.363 -4.906 1.203 1.00 62.34 H new ATOM 0 HE1 TRP A 21 23.929 -5.668 3.636 1.00 13.31 H new ATOM 0 HE3 TRP A 21 20.444 -1.805 2.271 1.00 44.43 H new ATOM 0 HZ2 TRP A 21 22.139 -5.002 5.701 1.00 23.12 H new ATOM 0 HZ3 TRP A 21 19.419 -1.924 4.507 1.00 73.22 H new ATOM 0 HH2 TRP A 21 20.259 -3.501 6.199 1.00 33.42 H new ATOM 343 N ALA A 22 19.845 -3.104 -0.850 1.00 20.42 N ATOM 344 CA ALA A 22 18.410 -3.335 -0.744 1.00 13.01 C ATOM 345 C ALA A 22 17.949 -4.397 -1.737 1.00 5.12 C ATOM 346 O ALA A 22 16.992 -5.127 -1.480 1.00 11.50 O ATOM 347 CB ALA A 22 17.649 -2.036 -0.967 1.00 33.35 C ATOM 0 H ALA A 22 20.108 -2.125 -0.963 1.00 20.42 H new ATOM 0 HA ALA A 22 18.199 -3.700 0.261 1.00 13.01 H new ATOM 0 HB1 ALA A 22 16.578 -2.223 -0.885 1.00 33.35 H new ATOM 0 HB2 ALA A 22 17.948 -1.305 -0.216 1.00 33.35 H new ATOM 0 HB3 ALA A 22 17.875 -1.648 -1.960 1.00 33.35 H new ATOM 353 N TRP A 23 18.637 -4.477 -2.870 1.00 74.14 N ATOM 354 CA TRP A 23 18.297 -5.450 -3.902 1.00 60.25 C ATOM 355 C TRP A 23 18.905 -6.812 -3.588 1.00 23.44 C ATOM 356 O TRP A 23 18.324 -7.850 -3.905 1.00 4.15 O ATOM 357 CB TRP A 23 18.782 -4.965 -5.269 1.00 42.24 C ATOM 358 CG TRP A 23 17.808 -4.058 -5.958 1.00 74.11 C ATOM 359 CD1 TRP A 23 17.954 -2.719 -6.186 1.00 34.52 C ATOM 360 CD2 TRP A 23 16.537 -4.424 -6.506 1.00 74.13 C ATOM 361 NE1 TRP A 23 16.850 -2.231 -6.843 1.00 32.34 N ATOM 362 CE2 TRP A 23 15.967 -3.257 -7.052 1.00 35.13 C ATOM 363 CE3 TRP A 23 15.826 -5.624 -6.591 1.00 73.15 C ATOM 364 CZ2 TRP A 23 14.720 -3.258 -7.671 1.00 54.31 C ATOM 365 CZ3 TRP A 23 14.588 -5.623 -7.206 1.00 41.12 C ATOM 366 CH2 TRP A 23 14.045 -4.447 -7.740 1.00 45.52 C ATOM 0 H TRP A 23 19.433 -3.881 -3.097 1.00 74.14 H new ATOM 0 HA TRP A 23 17.212 -5.554 -3.925 1.00 60.25 H new ATOM 0 HB2 TRP A 23 19.730 -4.441 -5.145 1.00 42.24 H new ATOM 0 HB3 TRP A 23 18.976 -5.829 -5.905 1.00 42.24 H new ATOM 0 HD1 TRP A 23 18.811 -2.131 -5.893 1.00 34.52 H new ATOM 0 HE1 TRP A 23 16.711 -1.262 -7.129 1.00 32.34 H new ATOM 0 HE3 TRP A 23 16.236 -6.536 -6.183 1.00 73.15 H new ATOM 0 HZ2 TRP A 23 14.300 -2.352 -8.082 1.00 54.31 H new ATOM 0 HZ3 TRP A 23 14.030 -6.545 -7.276 1.00 41.12 H new ATOM 0 HH2 TRP A 23 13.076 -4.479 -8.215 1.00 45.52 H new ATOM 377 N ALA A 24 20.078 -6.802 -2.962 1.00 51.22 N ATOM 378 CA ALA A 24 20.763 -8.037 -2.603 1.00 21.03 C ATOM 379 C ALA A 24 19.961 -8.832 -1.578 1.00 53.21 C ATOM 380 O ALA A 24 19.526 -9.950 -1.849 1.00 34.12 O ATOM 381 CB ALA A 24 22.154 -7.732 -2.066 1.00 33.13 C ATOM 0 H ALA A 24 20.573 -5.952 -2.693 1.00 51.22 H new ATOM 0 HA ALA A 24 20.858 -8.645 -3.502 1.00 21.03 H new ATOM 0 HB1 ALA A 24 22.654 -8.664 -1.802 1.00 33.13 H new ATOM 0 HB2 ALA A 24 22.733 -7.213 -2.830 1.00 33.13 H new ATOM 0 HB3 ALA A 24 22.072 -7.101 -1.181 1.00 33.13 H new ATOM 387 N ASN A 25 19.769 -8.247 -0.400 1.00 44.42 N ATOM 388 CA ASN A 25 19.020 -8.902 0.666 1.00 41.51 C ATOM 389 C ASN A 25 17.599 -8.352 0.749 1.00 61.45 C ATOM 390 O ASN A 25 17.387 -7.140 0.714 1.00 32.12 O ATOM 391 CB ASN A 25 19.731 -8.712 2.008 1.00 73.44 C ATOM 392 CG ASN A 25 19.705 -7.271 2.478 1.00 55.14 C ATOM 393 OD1 ASN A 25 18.870 -6.889 3.298 1.00 11.20 O ATOM 394 ND2 ASN A 25 20.621 -6.463 1.958 1.00 41.41 N ATOM 0 H ASN A 25 20.122 -7.321 -0.160 1.00 44.42 H new ATOM 0 HA ASN A 25 18.966 -9.966 0.438 1.00 41.51 H new ATOM 0 HB2 ASN A 25 19.258 -9.345 2.759 1.00 73.44 H new ATOM 0 HB3 ASN A 25 20.766 -9.043 1.918 1.00 73.44 H new ATOM 0 HD21 ASN A 25 20.652 -5.482 2.235 1.00 41.41 H new ATOM 0 HD22 ASN A 25 21.294 -6.823 1.281 1.00 41.41 H new ATOM 401 N LYS A 26 16.628 -9.253 0.858 1.00 2.13 N ATOM 402 CA LYS A 26 15.227 -8.861 0.948 1.00 13.40 C ATOM 403 C LYS A 26 14.524 -9.608 2.077 1.00 52.12 C ATOM 404 O LYS A 26 14.169 -10.777 1.934 1.00 63.22 O ATOM 405 CB LYS A 26 14.514 -9.132 -0.379 1.00 10.32 C ATOM 406 CG LYS A 26 14.603 -7.979 -1.364 1.00 15.35 C ATOM 407 CD LYS A 26 13.563 -8.105 -2.465 1.00 2.22 C ATOM 408 CE LYS A 26 14.078 -8.945 -3.623 1.00 71.33 C ATOM 409 NZ LYS A 26 14.252 -10.373 -3.238 1.00 63.21 N ATOM 0 H LYS A 26 16.786 -10.260 0.886 1.00 2.13 H new ATOM 0 HA LYS A 26 15.188 -7.793 1.163 1.00 13.40 H new ATOM 0 HB2 LYS A 26 14.943 -10.024 -0.837 1.00 10.32 H new ATOM 0 HB3 LYS A 26 13.464 -9.349 -0.180 1.00 10.32 H new ATOM 0 HG2 LYS A 26 14.462 -7.036 -0.836 1.00 15.35 H new ATOM 0 HG3 LYS A 26 15.600 -7.952 -1.805 1.00 15.35 H new ATOM 0 HD2 LYS A 26 12.657 -8.556 -2.061 1.00 2.22 H new ATOM 0 HD3 LYS A 26 13.291 -7.113 -2.826 1.00 2.22 H new ATOM 0 HE2 LYS A 26 13.382 -8.876 -4.459 1.00 71.33 H new ATOM 0 HE3 LYS A 26 15.031 -8.543 -3.968 1.00 71.33 H new ATOM 0 HZ1 LYS A 26 14.052 -10.981 -4.058 1.00 63.21 H new ATOM 0 HZ2 LYS A 26 15.230 -10.530 -2.921 1.00 63.21 H new ATOM 0 HZ3 LYS A 26 13.596 -10.607 -2.466 1.00 63.21 H new ATOM 423 N GLY A 27 14.324 -8.924 3.199 1.00 10.43 N ATOM 424 CA GLY A 27 13.663 -9.539 4.335 1.00 11.33 C ATOM 425 C GLY A 27 13.664 -8.646 5.560 1.00 0.32 C ATOM 426 O GLY A 27 12.608 -8.323 6.104 1.00 34.42 O ATOM 0 H GLY A 27 14.608 -7.955 3.342 1.00 10.43 H new ATOM 0 HA2 GLY A 27 12.635 -9.780 4.066 1.00 11.33 H new ATOM 0 HA3 GLY A 27 14.159 -10.480 4.575 1.00 11.33 H new ATOM 430 N LYS A 28 14.853 -8.245 5.997 1.00 22.44 N ATOM 431 CA LYS A 28 14.989 -7.385 7.166 1.00 0.53 C ATOM 432 C LYS A 28 14.551 -5.959 6.846 1.00 44.12 C ATOM 433 O LYS A 28 14.019 -5.256 7.705 1.00 55.43 O ATOM 434 CB LYS A 28 16.437 -7.386 7.661 1.00 44.24 C ATOM 435 CG LYS A 28 17.048 -8.774 7.750 1.00 1.55 C ATOM 436 CD LYS A 28 16.356 -9.620 8.806 1.00 44.10 C ATOM 437 CE LYS A 28 16.635 -9.100 10.208 1.00 53.31 C ATOM 438 NZ LYS A 28 16.235 -10.082 11.253 1.00 1.14 N ATOM 0 H LYS A 28 15.737 -8.502 5.558 1.00 22.44 H new ATOM 0 HA LYS A 28 14.343 -7.778 7.951 1.00 0.53 H new ATOM 0 HB2 LYS A 28 17.042 -6.774 6.991 1.00 44.24 H new ATOM 0 HB3 LYS A 28 16.476 -6.917 8.644 1.00 44.24 H new ATOM 0 HG2 LYS A 28 16.975 -9.268 6.781 1.00 1.55 H new ATOM 0 HG3 LYS A 28 18.109 -8.691 7.986 1.00 1.55 H new ATOM 0 HD2 LYS A 28 15.281 -9.622 8.625 1.00 44.10 H new ATOM 0 HD3 LYS A 28 16.695 -10.653 8.726 1.00 44.10 H new ATOM 0 HE2 LYS A 28 17.697 -8.876 10.308 1.00 53.31 H new ATOM 0 HE3 LYS A 28 16.096 -8.165 10.363 1.00 53.31 H new ATOM 0 HZ1 LYS A 28 16.441 -9.691 12.194 1.00 1.14 H new ATOM 0 HZ2 LYS A 28 15.216 -10.277 11.175 1.00 1.14 H new ATOM 0 HZ3 LYS A 28 16.768 -10.965 11.121 1.00 1.14 H new ATOM 452 N ILE A 29 14.778 -5.540 5.606 1.00 44.25 N ATOM 453 CA ILE A 29 14.405 -4.199 5.172 1.00 32.23 C ATOM 454 C ILE A 29 12.901 -4.094 4.945 1.00 74.23 C ATOM 455 O ILE A 29 12.308 -3.029 5.121 1.00 33.01 O ATOM 456 CB ILE A 29 15.137 -3.801 3.877 1.00 25.43 C ATOM 457 CG1 ILE A 29 16.635 -4.087 4.005 1.00 62.45 C ATOM 458 CG2 ILE A 29 14.898 -2.332 3.563 1.00 20.23 C ATOM 459 CD1 ILE A 29 17.424 -3.745 2.760 1.00 54.31 C ATOM 0 H ILE A 29 15.219 -6.110 4.884 1.00 44.25 H new ATOM 0 HA ILE A 29 14.699 -3.517 5.969 1.00 32.23 H new ATOM 0 HB ILE A 29 14.741 -4.397 3.055 1.00 25.43 H new ATOM 0 HG12 ILE A 29 17.034 -3.520 4.846 1.00 62.45 H new ATOM 0 HG13 ILE A 29 16.777 -5.143 4.237 1.00 62.45 H new ATOM 0 HG21 ILE A 29 15.422 -2.066 2.645 1.00 20.23 H new ATOM 0 HG22 ILE A 29 13.830 -2.156 3.435 1.00 20.23 H new ATOM 0 HG23 ILE A 29 15.271 -1.719 4.384 1.00 20.23 H new ATOM 0 HD11 ILE A 29 18.477 -3.973 2.923 1.00 54.31 H new ATOM 0 HD12 ILE A 29 17.051 -4.331 1.920 1.00 54.31 H new ATOM 0 HD13 ILE A 29 17.313 -2.683 2.539 1.00 54.31 H new ATOM 471 N LEU A 30 12.288 -5.206 4.554 1.00 61.31 N ATOM 472 CA LEU A 30 10.851 -5.241 4.304 1.00 42.12 C ATOM 473 C LEU A 30 10.069 -4.954 5.581 1.00 1.44 C ATOM 474 O LEU A 30 8.927 -4.497 5.532 1.00 34.44 O ATOM 475 CB LEU A 30 10.445 -6.603 3.739 1.00 53.02 C ATOM 476 CG LEU A 30 10.546 -6.757 2.221 1.00 71.32 C ATOM 477 CD1 LEU A 30 9.548 -5.846 1.524 1.00 50.41 C ATOM 478 CD2 LEU A 30 11.962 -6.462 1.748 1.00 52.30 C ATOM 0 H LEU A 30 12.764 -6.096 4.403 1.00 61.31 H new ATOM 0 HA LEU A 30 10.615 -4.467 3.574 1.00 42.12 H new ATOM 0 HB2 LEU A 30 11.068 -7.367 4.204 1.00 53.02 H new ATOM 0 HB3 LEU A 30 9.416 -6.806 4.037 1.00 53.02 H new ATOM 0 HG LEU A 30 10.306 -7.788 1.963 1.00 71.32 H new ATOM 0 HD11 LEU A 30 9.635 -5.970 0.445 1.00 50.41 H new ATOM 0 HD12 LEU A 30 8.537 -6.105 1.839 1.00 50.41 H new ATOM 0 HD13 LEU A 30 9.756 -4.809 1.788 1.00 50.41 H new ATOM 0 HD21 LEU A 30 12.015 -6.577 0.665 1.00 52.30 H new ATOM 0 HD22 LEU A 30 12.231 -5.441 2.019 1.00 52.30 H new ATOM 0 HD23 LEU A 30 12.656 -7.157 2.221 1.00 52.30 H new ATOM 490 N ASP A 31 10.693 -5.222 6.723 1.00 14.54 N ATOM 491 CA ASP A 31 10.056 -4.989 8.015 1.00 45.22 C ATOM 492 C ASP A 31 10.199 -3.529 8.435 1.00 35.34 C ATOM 493 O ASP A 31 9.314 -2.971 9.084 1.00 34.43 O ATOM 494 CB ASP A 31 10.667 -5.901 9.080 1.00 71.11 C ATOM 495 CG ASP A 31 9.967 -7.243 9.163 1.00 71.32 C ATOM 496 OD1 ASP A 31 8.730 -7.279 8.993 1.00 45.44 O ATOM 497 OD2 ASP A 31 10.655 -8.258 9.399 1.00 64.44 O ATOM 0 H ASP A 31 11.638 -5.600 6.781 1.00 14.54 H new ATOM 0 HA ASP A 31 8.995 -5.218 7.917 1.00 45.22 H new ATOM 0 HB2 ASP A 31 11.722 -6.058 8.858 1.00 71.11 H new ATOM 0 HB3 ASP A 31 10.616 -5.407 10.050 1.00 71.11 H new ATOM 502 N TRP A 32 11.317 -2.918 8.062 1.00 11.04 N ATOM 503 CA TRP A 32 11.575 -1.523 8.402 1.00 21.22 C ATOM 504 C TRP A 32 10.453 -0.623 7.896 1.00 24.03 C ATOM 505 O TRP A 32 10.227 0.463 8.431 1.00 51.43 O ATOM 506 CB TRP A 32 12.913 -1.073 7.813 1.00 54.53 C ATOM 507 CG TRP A 32 14.099 -1.600 8.561 1.00 64.44 C ATOM 508 CD1 TRP A 32 14.124 -2.041 9.853 1.00 1.31 C ATOM 509 CD2 TRP A 32 15.434 -1.741 8.061 1.00 32.11 C ATOM 510 NE1 TRP A 32 15.394 -2.447 10.187 1.00 14.32 N ATOM 511 CE2 TRP A 32 16.215 -2.274 9.105 1.00 3.20 C ATOM 512 CE3 TRP A 32 16.044 -1.471 6.833 1.00 21.04 C ATOM 513 CZ2 TRP A 32 17.574 -2.539 8.956 1.00 30.14 C ATOM 514 CZ3 TRP A 32 17.393 -1.735 6.688 1.00 53.44 C ATOM 515 CH2 TRP A 32 18.146 -2.265 7.744 1.00 54.13 C ATOM 0 H TRP A 32 12.059 -3.366 7.524 1.00 11.04 H new ATOM 0 HA TRP A 32 11.618 -1.441 9.488 1.00 21.22 H new ATOM 0 HB2 TRP A 32 12.973 -1.400 6.775 1.00 54.53 H new ATOM 0 HB3 TRP A 32 12.951 0.016 7.807 1.00 54.53 H new ATOM 0 HD1 TRP A 32 13.271 -2.067 10.515 1.00 1.31 H new ATOM 0 HE1 TRP A 32 15.679 -2.817 11.094 1.00 14.32 H new ATOM 0 HE3 TRP A 32 15.472 -1.064 6.012 1.00 21.04 H new ATOM 0 HZ2 TRP A 32 18.156 -2.947 9.769 1.00 30.14 H new ATOM 0 HZ3 TRP A 32 17.875 -1.529 5.744 1.00 53.44 H new ATOM 0 HH2 TRP A 32 19.198 -2.461 7.598 1.00 54.13 H new ATOM 526 N LEU A 33 9.754 -1.081 6.864 1.00 14.40 N ATOM 527 CA LEU A 33 8.654 -0.316 6.286 1.00 51.11 C ATOM 528 C LEU A 33 7.366 -0.533 7.074 1.00 61.43 C ATOM 529 O LEU A 33 6.532 0.365 7.178 1.00 31.45 O ATOM 530 CB LEU A 33 8.444 -0.713 4.824 1.00 50.14 C ATOM 531 CG LEU A 33 9.359 -0.032 3.805 1.00 24.43 C ATOM 532 CD1 LEU A 33 9.513 -0.898 2.564 1.00 4.51 C ATOM 533 CD2 LEU A 33 8.819 1.341 3.436 1.00 13.44 C ATOM 0 H LEU A 33 9.929 -1.978 6.410 1.00 14.40 H new ATOM 0 HA LEU A 33 8.914 0.741 6.335 1.00 51.11 H new ATOM 0 HB2 LEU A 33 8.578 -1.791 4.739 1.00 50.14 H new ATOM 0 HB3 LEU A 33 7.410 -0.498 4.555 1.00 50.14 H new ATOM 0 HG LEU A 33 10.342 0.097 4.258 1.00 24.43 H new ATOM 0 HD11 LEU A 33 10.167 -0.398 1.850 1.00 4.51 H new ATOM 0 HD12 LEU A 33 9.947 -1.859 2.842 1.00 4.51 H new ATOM 0 HD13 LEU A 33 8.536 -1.059 2.109 1.00 4.51 H new ATOM 0 HD21 LEU A 33 9.483 1.810 2.710 1.00 13.44 H new ATOM 0 HD22 LEU A 33 7.824 1.236 3.003 1.00 13.44 H new ATOM 0 HD23 LEU A 33 8.762 1.962 4.330 1.00 13.44 H new ATOM 545 N ASN A 34 7.213 -1.732 7.628 1.00 53.32 N ATOM 546 CA ASN A 34 6.027 -2.067 8.408 1.00 0.21 C ATOM 547 C ASN A 34 6.328 -2.020 9.903 1.00 4.10 C ATOM 548 O ASN A 34 5.673 -2.690 10.700 1.00 31.30 O ATOM 549 CB ASN A 34 5.514 -3.456 8.023 1.00 14.14 C ATOM 550 CG ASN A 34 6.559 -4.535 8.226 1.00 63.31 C ATOM 551 OD1 ASN A 34 7.258 -4.556 9.239 1.00 4.30 O ATOM 552 ND2 ASN A 34 6.671 -5.439 7.260 1.00 71.44 N ATOM 0 H ASN A 34 7.895 -2.487 7.551 1.00 53.32 H new ATOM 0 HA ASN A 34 5.257 -1.328 8.187 1.00 0.21 H new ATOM 0 HB2 ASN A 34 4.632 -3.692 8.618 1.00 14.14 H new ATOM 0 HB3 ASN A 34 5.202 -3.448 6.979 1.00 14.14 H new ATOM 0 HD21 ASN A 34 7.357 -6.189 7.341 1.00 71.44 H new ATOM 0 HD22 ASN A 34 6.071 -5.383 6.437 1.00 71.44 H new ATOM 559 N ALA A 35 7.324 -1.223 10.275 1.00 4.35 N ATOM 560 CA ALA A 35 7.711 -1.086 11.674 1.00 1.12 C ATOM 561 C ALA A 35 7.854 0.382 12.063 1.00 32.42 C ATOM 562 O ALA A 35 8.742 0.747 12.832 1.00 63.42 O ATOM 563 CB ALA A 35 9.010 -1.833 11.938 1.00 3.41 C ATOM 0 H ALA A 35 7.878 -0.662 9.627 1.00 4.35 H new ATOM 0 HA ALA A 35 6.923 -1.522 12.288 1.00 1.12 H new ATOM 0 HB1 ALA A 35 9.287 -1.722 12.986 1.00 3.41 H new ATOM 0 HB2 ALA A 35 8.875 -2.890 11.708 1.00 3.41 H new ATOM 0 HB3 ALA A 35 9.800 -1.423 11.309 1.00 3.41 H new ATOM 569 N GLY A 36 6.972 1.220 11.526 1.00 4.13 N ATOM 570 CA GLY A 36 7.018 2.639 11.829 1.00 64.32 C ATOM 571 C GLY A 36 6.716 3.500 10.618 1.00 21.34 C ATOM 572 O GLY A 36 6.342 4.664 10.756 1.00 75.23 O ATOM 0 H GLY A 36 6.227 0.942 10.887 1.00 4.13 H new ATOM 0 HA2 GLY A 36 6.300 2.862 12.618 1.00 64.32 H new ATOM 0 HA3 GLY A 36 8.005 2.893 12.215 1.00 64.32 H new ATOM 576 N GLN A 37 6.881 2.927 9.431 1.00 73.35 N ATOM 577 CA GLN A 37 6.625 3.651 8.191 1.00 12.34 C ATOM 578 C GLN A 37 7.435 4.942 8.139 1.00 40.35 C ATOM 579 O GLN A 37 6.954 5.969 7.661 1.00 14.54 O ATOM 580 CB GLN A 37 5.134 3.965 8.058 1.00 53.20 C ATOM 581 CG GLN A 37 4.297 2.772 7.626 1.00 60.14 C ATOM 582 CD GLN A 37 2.808 3.040 7.716 1.00 33.35 C ATOM 583 OE1 GLN A 37 2.225 3.009 8.801 1.00 53.04 O ATOM 584 NE2 GLN A 37 2.183 3.305 6.575 1.00 32.41 N ATOM 0 H GLN A 37 7.191 1.964 9.301 1.00 73.35 H new ATOM 0 HA GLN A 37 6.931 3.017 7.359 1.00 12.34 H new ATOM 0 HB2 GLN A 37 4.762 4.332 9.014 1.00 53.20 H new ATOM 0 HB3 GLN A 37 5.004 4.770 7.335 1.00 53.20 H new ATOM 0 HG2 GLN A 37 4.553 2.506 6.600 1.00 60.14 H new ATOM 0 HG3 GLN A 37 4.546 1.913 8.250 1.00 60.14 H new ATOM 0 HE21 GLN A 37 2.705 3.320 5.699 1.00 32.41 H new ATOM 0 HE22 GLN A 37 1.181 3.493 6.574 1.00 32.41 H new ATOM 593 N ALA A 38 8.667 4.882 8.632 1.00 5.31 N ATOM 594 CA ALA A 38 9.545 6.046 8.640 1.00 51.25 C ATOM 595 C ALA A 38 10.715 5.858 7.679 1.00 34.04 C ATOM 596 O ALA A 38 11.710 5.217 8.017 1.00 2.25 O ATOM 597 CB ALA A 38 10.054 6.315 10.048 1.00 32.41 C ATOM 0 H ALA A 38 9.080 4.039 9.031 1.00 5.31 H new ATOM 0 HA ALA A 38 8.968 6.907 8.304 1.00 51.25 H new ATOM 0 HB1 ALA A 38 10.708 7.187 10.038 1.00 32.41 H new ATOM 0 HB2 ALA A 38 9.209 6.503 10.711 1.00 32.41 H new ATOM 0 HB3 ALA A 38 10.610 5.448 10.406 1.00 32.41 H new ATOM 603 N ILE A 39 10.587 6.419 6.482 1.00 41.32 N ATOM 604 CA ILE A 39 11.634 6.313 5.473 1.00 2.05 C ATOM 605 C ILE A 39 12.971 6.807 6.015 1.00 23.13 C ATOM 606 O ILE A 39 13.981 6.106 5.939 1.00 53.31 O ATOM 607 CB ILE A 39 11.279 7.114 4.207 1.00 62.54 C ATOM 608 CG1 ILE A 39 9.946 6.632 3.630 1.00 43.43 C ATOM 609 CG2 ILE A 39 12.387 6.986 3.172 1.00 42.32 C ATOM 610 CD1 ILE A 39 9.467 7.452 2.452 1.00 73.40 C ATOM 0 H ILE A 39 9.769 6.952 6.187 1.00 41.32 H new ATOM 0 HA ILE A 39 11.717 5.258 5.214 1.00 2.05 H new ATOM 0 HB ILE A 39 11.179 8.166 4.476 1.00 62.54 H new ATOM 0 HG12 ILE A 39 10.048 5.592 3.321 1.00 43.43 H new ATOM 0 HG13 ILE A 39 9.189 6.659 4.414 1.00 43.43 H new ATOM 0 HG21 ILE A 39 12.122 7.558 2.283 1.00 42.32 H new ATOM 0 HG22 ILE A 39 13.318 7.371 3.587 1.00 42.32 H new ATOM 0 HG23 ILE A 39 12.515 5.937 2.904 1.00 42.32 H new ATOM 0 HD11 ILE A 39 8.517 7.054 2.094 1.00 73.40 H new ATOM 0 HD12 ILE A 39 9.333 8.489 2.761 1.00 73.40 H new ATOM 0 HD13 ILE A 39 10.205 7.404 1.651 1.00 73.40 H new ATOM 622 N ASP A 40 12.970 8.017 6.564 1.00 23.32 N ATOM 623 CA ASP A 40 14.183 8.604 7.122 1.00 12.12 C ATOM 624 C ASP A 40 14.797 7.686 8.174 1.00 64.42 C ATOM 625 O ASP A 40 16.010 7.691 8.384 1.00 63.22 O ATOM 626 CB ASP A 40 13.877 9.971 7.737 1.00 33.30 C ATOM 627 CG ASP A 40 13.756 11.062 6.692 1.00 61.04 C ATOM 628 OD1 ASP A 40 14.583 11.081 5.756 1.00 31.31 O ATOM 629 OD2 ASP A 40 12.836 11.898 6.809 1.00 35.13 O ATOM 0 H ASP A 40 12.143 8.610 6.635 1.00 23.32 H new ATOM 0 HA ASP A 40 14.901 8.731 6.312 1.00 12.12 H new ATOM 0 HB2 ASP A 40 12.948 9.911 8.305 1.00 33.30 H new ATOM 0 HB3 ASP A 40 14.665 10.233 8.442 1.00 33.30 H new ATOM 634 N TRP A 41 13.953 6.900 8.832 1.00 74.14 N ATOM 635 CA TRP A 41 14.413 5.977 9.863 1.00 60.44 C ATOM 636 C TRP A 41 15.048 4.738 9.240 1.00 34.10 C ATOM 637 O TRP A 41 15.911 4.101 9.844 1.00 72.44 O ATOM 638 CB TRP A 41 13.249 5.569 10.767 1.00 22.53 C ATOM 639 CG TRP A 41 13.685 4.842 12.004 1.00 75.22 C ATOM 640 CD1 TRP A 41 14.000 5.396 13.212 1.00 62.44 C ATOM 641 CD2 TRP A 41 13.854 3.428 12.152 1.00 72.11 C ATOM 642 NE1 TRP A 41 14.356 4.411 14.102 1.00 74.03 N ATOM 643 CE2 TRP A 41 14.273 3.195 13.476 1.00 1.04 C ATOM 644 CE3 TRP A 41 13.690 2.336 11.296 1.00 70.24 C ATOM 645 CZ2 TRP A 41 14.531 1.916 13.961 1.00 20.41 C ATOM 646 CZ3 TRP A 41 13.947 1.067 11.778 1.00 33.41 C ATOM 647 CH2 TRP A 41 14.363 0.865 13.101 1.00 73.21 C ATOM 0 H TRP A 41 12.946 6.883 8.670 1.00 74.14 H new ATOM 0 HA TRP A 41 15.167 6.487 10.462 1.00 60.44 H new ATOM 0 HB2 TRP A 41 12.692 6.461 11.055 1.00 22.53 H new ATOM 0 HB3 TRP A 41 12.565 4.935 10.203 1.00 22.53 H new ATOM 0 HD1 TRP A 41 13.973 6.452 13.435 1.00 62.44 H new ATOM 0 HE1 TRP A 41 14.636 4.561 15.071 1.00 74.03 H new ATOM 0 HE3 TRP A 41 13.368 2.481 10.275 1.00 70.24 H new ATOM 0 HZ2 TRP A 41 14.852 1.759 14.980 1.00 20.41 H new ATOM 0 HZ3 TRP A 41 13.825 0.216 11.124 1.00 33.41 H new ATOM 0 HH2 TRP A 41 14.555 -0.139 13.448 1.00 73.21 H new ATOM 658 N VAL A 42 14.615 4.402 8.029 1.00 71.41 N ATOM 659 CA VAL A 42 15.142 3.239 7.324 1.00 3.41 C ATOM 660 C VAL A 42 16.497 3.546 6.695 1.00 31.13 C ATOM 661 O VAL A 42 17.430 2.748 6.785 1.00 71.35 O ATOM 662 CB VAL A 42 14.174 2.763 6.225 1.00 64.32 C ATOM 663 CG1 VAL A 42 14.726 1.529 5.526 1.00 54.20 C ATOM 664 CG2 VAL A 42 12.799 2.483 6.811 1.00 12.42 C ATOM 0 H VAL A 42 13.901 4.918 7.516 1.00 71.41 H new ATOM 0 HA VAL A 42 15.259 2.446 8.063 1.00 3.41 H new ATOM 0 HB VAL A 42 14.073 3.557 5.485 1.00 64.32 H new ATOM 0 HG11 VAL A 42 14.029 1.207 4.753 1.00 54.20 H new ATOM 0 HG12 VAL A 42 15.687 1.768 5.071 1.00 54.20 H new ATOM 0 HG13 VAL A 42 14.858 0.727 6.253 1.00 54.20 H new ATOM 0 HG21 VAL A 42 12.128 2.148 6.020 1.00 12.42 H new ATOM 0 HG22 VAL A 42 12.879 1.707 7.572 1.00 12.42 H new ATOM 0 HG23 VAL A 42 12.403 3.393 7.261 1.00 12.42 H new ATOM 674 N VAL A 43 16.598 4.709 6.059 1.00 63.40 N ATOM 675 CA VAL A 43 17.840 5.123 5.416 1.00 74.50 C ATOM 676 C VAL A 43 18.948 5.330 6.442 1.00 14.04 C ATOM 677 O VAL A 43 20.107 4.999 6.195 1.00 30.42 O ATOM 678 CB VAL A 43 17.649 6.423 4.612 1.00 22.34 C ATOM 679 CG1 VAL A 43 18.923 6.777 3.860 1.00 74.22 C ATOM 680 CG2 VAL A 43 16.474 6.290 3.656 1.00 70.23 C ATOM 0 H VAL A 43 15.835 5.381 5.975 1.00 63.40 H new ATOM 0 HA VAL A 43 18.126 4.322 4.734 1.00 74.50 H new ATOM 0 HB VAL A 43 17.430 7.232 5.308 1.00 22.34 H new ATOM 0 HG11 VAL A 43 18.770 7.698 3.298 1.00 74.22 H new ATOM 0 HG12 VAL A 43 19.738 6.917 4.570 1.00 74.22 H new ATOM 0 HG13 VAL A 43 19.176 5.970 3.172 1.00 74.22 H new ATOM 0 HG21 VAL A 43 16.354 7.217 3.096 1.00 70.23 H new ATOM 0 HG22 VAL A 43 16.660 5.469 2.963 1.00 70.23 H new ATOM 0 HG23 VAL A 43 15.565 6.088 4.223 1.00 70.23 H new ATOM 690 N SER A 44 18.583 5.881 7.596 1.00 74.51 N ATOM 691 CA SER A 44 19.546 6.136 8.660 1.00 64.30 C ATOM 692 C SER A 44 20.163 4.832 9.158 1.00 0.35 C ATOM 693 O SER A 44 21.237 4.830 9.761 1.00 34.23 O ATOM 694 CB SER A 44 18.874 6.872 9.820 1.00 31.45 C ATOM 695 OG SER A 44 19.796 7.127 10.865 1.00 5.42 O ATOM 0 H SER A 44 17.627 6.159 7.817 1.00 74.51 H new ATOM 0 HA SER A 44 20.341 6.762 8.255 1.00 64.30 H new ATOM 0 HB2 SER A 44 18.454 7.813 9.464 1.00 31.45 H new ATOM 0 HB3 SER A 44 18.044 6.277 10.200 1.00 31.45 H new ATOM 0 HG SER A 44 19.342 7.600 11.594 1.00 5.42 H new ATOM 701 N LYS A 45 19.476 3.724 8.902 1.00 11.24 N ATOM 702 CA LYS A 45 19.954 2.413 9.323 1.00 61.53 C ATOM 703 C LYS A 45 20.730 1.731 8.200 1.00 3.03 C ATOM 704 O LYS A 45 20.873 0.508 8.186 1.00 44.10 O ATOM 705 CB LYS A 45 18.778 1.532 9.752 1.00 65.21 C ATOM 706 CG LYS A 45 17.952 2.127 10.879 1.00 43.01 C ATOM 707 CD LYS A 45 18.485 1.712 12.240 1.00 11.01 C ATOM 708 CE LYS A 45 19.525 2.695 12.755 1.00 14.43 C ATOM 709 NZ LYS A 45 19.731 2.565 14.224 1.00 4.13 N ATOM 0 H LYS A 45 18.586 3.708 8.405 1.00 11.24 H new ATOM 0 HA LYS A 45 20.624 2.553 10.171 1.00 61.53 H new ATOM 0 HB2 LYS A 45 18.132 1.359 8.891 1.00 65.21 H new ATOM 0 HB3 LYS A 45 19.159 0.560 10.066 1.00 65.21 H new ATOM 0 HG2 LYS A 45 17.958 3.214 10.801 1.00 43.01 H new ATOM 0 HG3 LYS A 45 16.915 1.806 10.780 1.00 43.01 H new ATOM 0 HD2 LYS A 45 17.661 1.647 12.950 1.00 11.01 H new ATOM 0 HD3 LYS A 45 18.926 0.717 12.172 1.00 11.01 H new ATOM 0 HE2 LYS A 45 20.470 2.527 12.239 1.00 14.43 H new ATOM 0 HE3 LYS A 45 19.211 3.712 12.521 1.00 14.43 H new ATOM 0 HZ1 LYS A 45 20.447 3.252 14.536 1.00 4.13 H new ATOM 0 HZ2 LYS A 45 18.835 2.750 14.718 1.00 4.13 H new ATOM 0 HZ3 LYS A 45 20.055 1.602 14.445 1.00 4.13 H new ATOM 723 N ILE A 46 21.230 2.530 7.263 1.00 31.52 N ATOM 724 CA ILE A 46 21.994 2.003 6.139 1.00 34.40 C ATOM 725 C ILE A 46 23.455 2.432 6.218 1.00 72.33 C ATOM 726 O ILE A 46 24.356 1.676 5.853 1.00 40.53 O ATOM 727 CB ILE A 46 21.406 2.466 4.793 1.00 60.32 C ATOM 728 CG1 ILE A 46 19.948 2.020 4.668 1.00 55.40 C ATOM 729 CG2 ILE A 46 22.233 1.920 3.638 1.00 31.13 C ATOM 730 CD1 ILE A 46 19.293 2.450 3.373 1.00 23.05 C ATOM 0 H ILE A 46 21.120 3.544 7.260 1.00 31.52 H new ATOM 0 HA ILE A 46 21.934 0.916 6.198 1.00 34.40 H new ATOM 0 HB ILE A 46 21.438 3.555 4.755 1.00 60.32 H new ATOM 0 HG12 ILE A 46 19.901 0.934 4.746 1.00 55.40 H new ATOM 0 HG13 ILE A 46 19.380 2.425 5.505 1.00 55.40 H new ATOM 0 HG21 ILE A 46 21.805 2.256 2.693 1.00 31.13 H new ATOM 0 HG22 ILE A 46 23.258 2.282 3.721 1.00 31.13 H new ATOM 0 HG23 ILE A 46 22.229 0.831 3.671 1.00 31.13 H new ATOM 0 HD11 ILE A 46 18.261 2.099 3.353 1.00 23.05 H new ATOM 0 HD12 ILE A 46 19.308 3.538 3.301 1.00 23.05 H new ATOM 0 HD13 ILE A 46 19.837 2.023 2.531 1.00 23.05 H new ATOM 742 N LYS A 47 23.683 3.649 6.698 1.00 10.33 N ATOM 743 CA LYS A 47 25.035 4.180 6.829 1.00 72.20 C ATOM 744 C LYS A 47 25.851 3.353 7.817 1.00 33.14 C ATOM 745 O LYS A 47 27.078 3.306 7.736 1.00 52.00 O ATOM 746 CB LYS A 47 24.990 5.640 7.285 1.00 52.15 C ATOM 747 CG LYS A 47 24.151 5.863 8.531 1.00 72.12 C ATOM 748 CD LYS A 47 23.115 6.954 8.318 1.00 31.00 C ATOM 749 CE LYS A 47 23.633 8.310 8.772 1.00 54.34 C ATOM 750 NZ LYS A 47 24.749 8.793 7.913 1.00 42.32 N ATOM 0 H LYS A 47 22.948 4.287 7.003 1.00 10.33 H new ATOM 0 HA LYS A 47 25.516 4.126 5.852 1.00 72.20 H new ATOM 0 HB2 LYS A 47 26.007 5.984 7.476 1.00 52.15 H new ATOM 0 HB3 LYS A 47 24.593 6.253 6.476 1.00 52.15 H new ATOM 0 HG2 LYS A 47 23.651 4.934 8.805 1.00 72.12 H new ATOM 0 HG3 LYS A 47 24.800 6.134 9.364 1.00 72.12 H new ATOM 0 HD2 LYS A 47 22.846 7.001 7.263 1.00 31.00 H new ATOM 0 HD3 LYS A 47 22.207 6.707 8.868 1.00 31.00 H new ATOM 0 HE2 LYS A 47 22.819 9.035 8.752 1.00 54.34 H new ATOM 0 HE3 LYS A 47 23.973 8.241 9.805 1.00 54.34 H new ATOM 0 HZ1 LYS A 47 25.006 9.762 8.190 1.00 42.32 H new ATOM 0 HZ2 LYS A 47 25.573 8.169 8.030 1.00 42.32 H new ATOM 0 HZ3 LYS A 47 24.449 8.786 6.917 1.00 42.32 H new ATOM 764 N GLN A 48 25.161 2.702 8.748 1.00 32.24 N ATOM 765 CA GLN A 48 25.823 1.876 9.751 1.00 11.14 C ATOM 766 C GLN A 48 26.153 0.497 9.190 1.00 75.11 C ATOM 767 O GLN A 48 27.092 -0.159 9.641 1.00 35.35 O ATOM 768 CB GLN A 48 24.939 1.737 10.992 1.00 20.20 C ATOM 769 CG GLN A 48 23.611 1.049 10.719 1.00 40.22 C ATOM 770 CD GLN A 48 22.869 0.686 11.990 1.00 2.52 C ATOM 771 OE1 GLN A 48 22.369 -0.430 12.134 1.00 4.41 O ATOM 772 NE2 GLN A 48 22.794 1.630 12.922 1.00 73.05 N ATOM 0 H GLN A 48 24.145 2.730 8.829 1.00 32.24 H new ATOM 0 HA GLN A 48 26.755 2.366 10.031 1.00 11.14 H new ATOM 0 HB2 GLN A 48 25.481 1.174 11.752 1.00 20.20 H new ATOM 0 HB3 GLN A 48 24.748 2.728 11.404 1.00 20.20 H new ATOM 0 HG2 GLN A 48 22.985 1.703 10.112 1.00 40.22 H new ATOM 0 HG3 GLN A 48 23.788 0.145 10.135 1.00 40.22 H new ATOM 0 HE21 GLN A 48 23.223 2.541 12.761 1.00 73.05 H new ATOM 0 HE22 GLN A 48 22.307 1.443 13.799 1.00 73.05 H new ATOM 781 N ILE A 49 25.374 0.064 8.204 1.00 64.31 N ATOM 782 CA ILE A 49 25.585 -1.237 7.581 1.00 72.22 C ATOM 783 C ILE A 49 26.765 -1.200 6.616 1.00 70.12 C ATOM 784 O ILE A 49 27.809 -1.802 6.871 1.00 73.53 O ATOM 785 CB ILE A 49 24.330 -1.707 6.822 1.00 70.24 C ATOM 786 CG1 ILE A 49 23.113 -1.697 7.748 1.00 13.15 C ATOM 787 CG2 ILE A 49 24.550 -3.097 6.243 1.00 24.03 C ATOM 788 CD1 ILE A 49 23.284 -2.558 8.980 1.00 33.31 C ATOM 0 H ILE A 49 24.592 0.594 7.820 1.00 64.31 H new ATOM 0 HA ILE A 49 25.799 -1.941 8.385 1.00 72.22 H new ATOM 0 HB ILE A 49 24.142 -1.017 5.999 1.00 70.24 H new ATOM 0 HG12 ILE A 49 22.910 -0.672 8.057 1.00 13.15 H new ATOM 0 HG13 ILE A 49 22.241 -2.041 7.192 1.00 13.15 H new ATOM 0 HG21 ILE A 49 23.654 -3.415 5.710 1.00 24.03 H new ATOM 0 HG22 ILE A 49 25.394 -3.075 5.554 1.00 24.03 H new ATOM 0 HG23 ILE A 49 24.760 -3.798 7.050 1.00 24.03 H new ATOM 0 HD11 ILE A 49 22.383 -2.503 9.590 1.00 33.31 H new ATOM 0 HD12 ILE A 49 23.457 -3.592 8.680 1.00 33.31 H new ATOM 0 HD13 ILE A 49 24.136 -2.201 9.558 1.00 33.31 H new ATOM 800 N LEU A 50 26.594 -0.488 5.508 1.00 54.14 N ATOM 801 CA LEU A 50 27.646 -0.370 4.504 1.00 54.22 C ATOM 802 C LEU A 50 28.737 0.589 4.969 1.00 22.52 C ATOM 803 O LEU A 50 29.894 0.199 5.127 1.00 55.12 O ATOM 804 CB LEU A 50 27.059 0.113 3.176 1.00 10.33 C ATOM 805 CG LEU A 50 25.818 -0.630 2.680 1.00 24.53 C ATOM 806 CD1 LEU A 50 25.349 -0.059 1.351 1.00 22.14 C ATOM 807 CD2 LEU A 50 26.105 -2.119 2.551 1.00 23.34 C ATOM 0 H LEU A 50 25.737 0.017 5.282 1.00 54.14 H new ATOM 0 HA LEU A 50 28.090 -1.355 4.361 1.00 54.22 H new ATOM 0 HB2 LEU A 50 26.810 1.170 3.275 1.00 10.33 H new ATOM 0 HB3 LEU A 50 27.832 0.038 2.411 1.00 10.33 H new ATOM 0 HG LEU A 50 25.021 -0.495 3.411 1.00 24.53 H new ATOM 0 HD11 LEU A 50 24.465 -0.600 1.014 1.00 22.14 H new ATOM 0 HD12 LEU A 50 25.103 0.996 1.475 1.00 22.14 H new ATOM 0 HD13 LEU A 50 26.142 -0.162 0.610 1.00 22.14 H new ATOM 0 HD21 LEU A 50 25.211 -2.633 2.197 1.00 23.34 H new ATOM 0 HD22 LEU A 50 26.917 -2.273 1.841 1.00 23.34 H new ATOM 0 HD23 LEU A 50 26.393 -2.520 3.523 1.00 23.34 H new ATOM 819 N GLY A 51 28.361 1.845 5.190 1.00 74.52 N ATOM 820 CA GLY A 51 29.319 2.839 5.637 1.00 33.52 C ATOM 821 C GLY A 51 29.283 4.098 4.795 1.00 0.41 C ATOM 822 O GLY A 51 30.319 4.715 4.545 1.00 41.01 O ATOM 0 H GLY A 51 27.410 2.192 5.067 1.00 74.52 H new ATOM 0 HA2 GLY A 51 29.114 3.095 6.677 1.00 33.52 H new ATOM 0 HA3 GLY A 51 30.322 2.413 5.605 1.00 33.52 H new ATOM 826 N ILE A 52 28.089 4.481 4.356 1.00 72.24 N ATOM 827 CA ILE A 52 27.923 5.675 3.536 1.00 23.13 C ATOM 828 C ILE A 52 27.810 6.925 4.403 1.00 72.44 C ATOM 829 O ILE A 52 27.325 6.868 5.533 1.00 41.40 O ATOM 830 CB ILE A 52 26.677 5.572 2.637 1.00 2.31 C ATOM 831 CG1 ILE A 52 26.655 6.720 1.626 1.00 43.32 C ATOM 832 CG2 ILE A 52 25.412 5.580 3.482 1.00 22.52 C ATOM 833 CD1 ILE A 52 25.997 6.357 0.313 1.00 25.20 C ATOM 0 H ILE A 52 27.222 3.982 4.554 1.00 72.24 H new ATOM 0 HA ILE A 52 28.809 5.751 2.906 1.00 23.13 H new ATOM 0 HB ILE A 52 26.719 4.630 2.089 1.00 2.31 H new ATOM 0 HG12 ILE A 52 26.130 7.569 2.064 1.00 43.32 H new ATOM 0 HG13 ILE A 52 27.678 7.043 1.433 1.00 43.32 H new ATOM 0 HG21 ILE A 52 24.540 5.507 2.832 1.00 22.52 H new ATOM 0 HG22 ILE A 52 25.427 4.732 4.167 1.00 22.52 H new ATOM 0 HG23 ILE A 52 25.362 6.507 4.053 1.00 22.52 H new ATOM 0 HD11 ILE A 52 26.017 7.218 -0.355 1.00 25.20 H new ATOM 0 HD12 ILE A 52 26.535 5.528 -0.147 1.00 25.20 H new ATOM 0 HD13 ILE A 52 24.963 6.062 0.493 1.00 25.20 H new ATOM 845 N LYS A 53 28.259 8.054 3.864 1.00 34.45 N ATOM 846 CA LYS A 53 28.205 9.320 4.586 1.00 63.42 C ATOM 847 C LYS A 53 27.155 10.246 3.982 1.00 40.24 C ATOM 848 O LYS A 53 26.976 11.377 4.435 1.00 21.11 O ATOM 849 CB LYS A 53 29.575 10.001 4.563 1.00 4.03 C ATOM 850 CG LYS A 53 30.476 9.593 5.716 1.00 4.42 C ATOM 851 CD LYS A 53 30.077 10.286 7.008 1.00 11.41 C ATOM 852 CE LYS A 53 30.611 11.709 7.065 1.00 12.44 C ATOM 853 NZ LYS A 53 31.961 11.770 7.690 1.00 0.55 N ATOM 0 H LYS A 53 28.664 8.118 2.930 1.00 34.45 H new ATOM 0 HA LYS A 53 27.927 9.110 5.619 1.00 63.42 H new ATOM 0 HB2 LYS A 53 30.073 9.765 3.623 1.00 4.03 H new ATOM 0 HB3 LYS A 53 29.435 11.082 4.587 1.00 4.03 H new ATOM 0 HG2 LYS A 53 30.428 8.513 5.852 1.00 4.42 H new ATOM 0 HG3 LYS A 53 31.510 9.838 5.475 1.00 4.42 H new ATOM 0 HD2 LYS A 53 28.990 10.300 7.094 1.00 11.41 H new ATOM 0 HD3 LYS A 53 30.457 9.719 7.858 1.00 11.41 H new ATOM 0 HE2 LYS A 53 30.659 12.120 6.056 1.00 12.44 H new ATOM 0 HE3 LYS A 53 29.920 12.334 7.631 1.00 12.44 H new ATOM 0 HZ1 LYS A 53 32.290 12.756 7.710 1.00 0.55 H new ATOM 0 HZ2 LYS A 53 31.911 11.402 8.661 1.00 0.55 H new ATOM 0 HZ3 LYS A 53 32.627 11.194 7.136 1.00 0.55 H new