USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 465 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD Single : A 1 LEU N :NH3+ 159:sc= -0.125 (180deg=-0.435) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -3.44! C(o=-3.4!,f=-7.9!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc=-0.00414 X(o=-0.0041,f=-0.049) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -47:sc= 0.991 USER MOD Single : A 39 SER OG : rot -76:sc= 1.26 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.35) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00729) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.528 0.188 0.124 1.00 72.25 N ATOM 2 CA LEU A 1 2.249 0.234 -1.144 1.00 2.44 C ATOM 3 C LEU A 1 2.082 -1.072 -1.913 1.00 45.25 C ATOM 4 O LEU A 1 1.675 -1.072 -3.075 1.00 74.40 O ATOM 5 CB LEU A 1 3.734 0.509 -0.898 1.00 52.10 C ATOM 6 CG LEU A 1 4.334 1.690 -1.663 1.00 35.42 C ATOM 7 CD1 LEU A 1 3.578 2.970 -1.346 1.00 14.54 C ATOM 8 CD2 LEU A 1 5.811 1.844 -1.332 1.00 52.12 C ATOM 0 H1 LEU A 1 1.923 0.898 0.774 1.00 72.25 H new ATOM 0 HA LEU A 1 1.830 1.042 -1.743 1.00 2.44 H new ATOM 0 HB2 LEU A 1 3.879 0.681 0.168 1.00 52.10 H new ATOM 0 HB3 LEU A 1 4.297 -0.388 -1.155 1.00 52.10 H new ATOM 0 HG LEU A 1 4.240 1.493 -2.731 1.00 35.42 H new ATOM 0 HD11 LEU A 1 4.019 3.799 -1.899 1.00 14.54 H new ATOM 0 HD12 LEU A 1 2.533 2.856 -1.634 1.00 14.54 H new ATOM 0 HD13 LEU A 1 3.639 3.174 -0.277 1.00 14.54 H new ATOM 0 HD21 LEU A 1 6.222 2.689 -1.885 1.00 52.12 H new ATOM 0 HD22 LEU A 1 5.928 2.019 -0.263 1.00 52.12 H new ATOM 0 HD23 LEU A 1 6.343 0.935 -1.611 1.00 52.12 H new ATOM 20 N VAL A 2 2.399 -2.184 -1.258 1.00 12.24 N ATOM 21 CA VAL A 2 2.281 -3.498 -1.879 1.00 0.42 C ATOM 22 C VAL A 2 0.831 -3.812 -2.229 1.00 51.21 C ATOM 23 O VAL A 2 0.528 -4.226 -3.347 1.00 73.15 O ATOM 24 CB VAL A 2 2.827 -4.605 -0.958 1.00 13.02 C ATOM 25 CG1 VAL A 2 2.859 -5.939 -1.688 1.00 4.02 C ATOM 26 CG2 VAL A 2 4.210 -4.236 -0.443 1.00 13.41 C ATOM 0 H VAL A 2 2.740 -2.201 -0.297 1.00 12.24 H new ATOM 0 HA VAL A 2 2.874 -3.471 -2.793 1.00 0.42 H new ATOM 0 HB VAL A 2 2.160 -4.703 -0.101 1.00 13.02 H new ATOM 0 HG11 VAL A 2 3.248 -6.709 -1.022 1.00 4.02 H new ATOM 0 HG12 VAL A 2 1.850 -6.206 -2.002 1.00 4.02 H new ATOM 0 HG13 VAL A 2 3.502 -5.859 -2.564 1.00 4.02 H new ATOM 0 HG21 VAL A 2 4.580 -5.030 0.206 1.00 13.41 H new ATOM 0 HG22 VAL A 2 4.890 -4.109 -1.285 1.00 13.41 H new ATOM 0 HG23 VAL A 2 4.152 -3.304 0.120 1.00 13.41 H new ATOM 36 N ALA A 3 -0.062 -3.611 -1.265 1.00 63.31 N ATOM 37 CA ALA A 3 -1.481 -3.871 -1.472 1.00 40.23 C ATOM 38 C ALA A 3 -2.060 -2.941 -2.533 1.00 62.25 C ATOM 39 O ALA A 3 -2.990 -3.307 -3.253 1.00 21.14 O ATOM 40 CB ALA A 3 -2.242 -3.719 -0.163 1.00 63.24 C ATOM 0 H ALA A 3 0.173 -3.269 -0.333 1.00 63.31 H new ATOM 0 HA ALA A 3 -1.589 -4.896 -1.826 1.00 40.23 H new ATOM 0 HB1 ALA A 3 -3.301 -3.916 -0.333 1.00 63.24 H new ATOM 0 HB2 ALA A 3 -1.853 -4.428 0.568 1.00 63.24 H new ATOM 0 HB3 ALA A 3 -2.118 -2.704 0.214 1.00 63.24 H new ATOM 46 N TYR A 4 -1.505 -1.738 -2.625 1.00 42.14 N ATOM 47 CA TYR A 4 -1.968 -0.755 -3.597 1.00 54.41 C ATOM 48 C TYR A 4 -1.511 -1.123 -5.005 1.00 51.43 C ATOM 49 O TYR A 4 -2.311 -1.165 -5.939 1.00 40.50 O ATOM 50 CB TYR A 4 -1.454 0.638 -3.230 1.00 11.35 C ATOM 51 CG TYR A 4 -2.499 1.518 -2.580 1.00 63.33 C ATOM 52 CD1 TYR A 4 -3.733 1.726 -3.184 1.00 4.01 C ATOM 53 CD2 TYR A 4 -2.252 2.140 -1.362 1.00 61.54 C ATOM 54 CE1 TYR A 4 -4.690 2.529 -2.595 1.00 5.34 C ATOM 55 CE2 TYR A 4 -3.204 2.943 -0.765 1.00 44.40 C ATOM 56 CZ TYR A 4 -4.420 3.136 -1.385 1.00 75.42 C ATOM 57 OH TYR A 4 -5.372 3.935 -0.794 1.00 44.43 O ATOM 0 H TYR A 4 -0.734 -1.420 -2.038 1.00 42.14 H new ATOM 0 HA TYR A 4 -3.058 -0.750 -3.578 1.00 54.41 H new ATOM 0 HB2 TYR A 4 -0.605 0.536 -2.554 1.00 11.35 H new ATOM 0 HB3 TYR A 4 -1.087 1.129 -4.131 1.00 11.35 H new ATOM 0 HD1 TYR A 4 -3.947 1.252 -4.130 1.00 4.01 H new ATOM 0 HD2 TYR A 4 -1.300 1.993 -0.874 1.00 61.54 H new ATOM 0 HE1 TYR A 4 -5.644 2.681 -3.078 1.00 5.34 H new ATOM 0 HE2 TYR A 4 -2.997 3.417 0.183 1.00 44.40 H new ATOM 0 HH TYR A 4 -5.025 4.285 0.053 1.00 44.43 H new ATOM 67 N GLY A 5 -0.216 -1.390 -5.149 1.00 55.43 N ATOM 68 CA GLY A 5 0.327 -1.751 -6.446 1.00 34.34 C ATOM 69 C GLY A 5 1.770 -1.318 -6.611 1.00 54.11 C ATOM 70 O GLY A 5 2.116 -0.651 -7.586 1.00 42.05 O ATOM 0 H GLY A 5 0.466 -1.363 -4.391 1.00 55.43 H new ATOM 0 HA2 GLY A 5 0.258 -2.831 -6.578 1.00 34.34 H new ATOM 0 HA3 GLY A 5 -0.278 -1.295 -7.230 1.00 34.34 H new ATOM 74 N ILE A 6 2.612 -1.696 -5.656 1.00 4.42 N ATOM 75 CA ILE A 6 4.025 -1.341 -5.700 1.00 45.24 C ATOM 76 C ILE A 6 4.900 -2.509 -5.256 1.00 53.33 C ATOM 77 O ILE A 6 4.540 -3.256 -4.347 1.00 50.12 O ATOM 78 CB ILE A 6 4.328 -0.120 -4.811 1.00 31.51 C ATOM 79 CG1 ILE A 6 3.498 1.084 -5.260 1.00 70.23 C ATOM 80 CG2 ILE A 6 5.813 0.208 -4.850 1.00 52.40 C ATOM 81 CD1 ILE A 6 3.796 1.529 -6.675 1.00 3.32 C ATOM 0 H ILE A 6 2.341 -2.248 -4.842 1.00 4.42 H new ATOM 0 HA ILE A 6 4.255 -1.091 -6.736 1.00 45.24 H new ATOM 0 HB ILE A 6 4.056 -0.361 -3.783 1.00 31.51 H new ATOM 0 HG12 ILE A 6 2.440 0.835 -5.181 1.00 70.23 H new ATOM 0 HG13 ILE A 6 3.682 1.916 -4.580 1.00 70.23 H new ATOM 0 HG21 ILE A 6 6.011 1.073 -4.217 1.00 52.40 H new ATOM 0 HG22 ILE A 6 6.384 -0.646 -4.486 1.00 52.40 H new ATOM 0 HG23 ILE A 6 6.109 0.433 -5.875 1.00 52.40 H new ATOM 0 HD11 ILE A 6 3.172 2.386 -6.926 1.00 3.32 H new ATOM 0 HD12 ILE A 6 4.846 1.809 -6.755 1.00 3.32 H new ATOM 0 HD13 ILE A 6 3.585 0.712 -7.365 1.00 3.32 H new ATOM 93 N ALA A 7 6.051 -2.658 -5.903 1.00 71.54 N ATOM 94 CA ALA A 7 6.979 -3.733 -5.573 1.00 12.23 C ATOM 95 C ALA A 7 7.278 -3.759 -4.078 1.00 34.44 C ATOM 96 O ALA A 7 7.559 -2.725 -3.474 1.00 15.43 O ATOM 97 CB ALA A 7 8.267 -3.581 -6.368 1.00 2.33 C ATOM 0 H ALA A 7 6.363 -2.048 -6.659 1.00 71.54 H new ATOM 0 HA ALA A 7 6.510 -4.680 -5.840 1.00 12.23 H new ATOM 0 HB1 ALA A 7 8.951 -4.390 -6.112 1.00 2.33 H new ATOM 0 HB2 ALA A 7 8.043 -3.619 -7.434 1.00 2.33 H new ATOM 0 HB3 ALA A 7 8.731 -2.624 -6.129 1.00 2.33 H new ATOM 103 N GLN A 8 7.214 -4.948 -3.487 1.00 61.52 N ATOM 104 CA GLN A 8 7.477 -5.108 -2.062 1.00 33.11 C ATOM 105 C GLN A 8 8.944 -4.840 -1.745 1.00 42.33 C ATOM 106 O GLN A 8 9.265 -3.992 -0.913 1.00 42.05 O ATOM 107 CB GLN A 8 7.094 -6.517 -1.606 1.00 32.21 C ATOM 108 CG GLN A 8 7.534 -6.838 -0.187 1.00 21.12 C ATOM 109 CD GLN A 8 6.908 -5.916 0.841 1.00 22.10 C ATOM 110 OE1 GLN A 8 7.415 -4.825 1.104 1.00 25.43 O ATOM 111 NE2 GLN A 8 5.799 -6.350 1.428 1.00 22.15 N ATOM 0 H GLN A 8 6.982 -5.814 -3.973 1.00 61.52 H new ATOM 0 HA GLN A 8 6.869 -4.381 -1.523 1.00 33.11 H new ATOM 0 HB2 GLN A 8 6.012 -6.631 -1.677 1.00 32.21 H new ATOM 0 HB3 GLN A 8 7.536 -7.243 -2.288 1.00 32.21 H new ATOM 0 HG2 GLN A 8 7.270 -7.869 0.047 1.00 21.12 H new ATOM 0 HG3 GLN A 8 8.620 -6.765 -0.122 1.00 21.12 H new ATOM 0 HE21 GLN A 8 5.413 -7.261 1.180 1.00 22.15 H new ATOM 0 HE22 GLN A 8 5.333 -5.772 2.127 1.00 22.15 H new ATOM 120 N GLY A 9 9.832 -5.569 -2.415 1.00 2.42 N ATOM 121 CA GLY A 9 11.255 -5.394 -2.190 1.00 63.53 C ATOM 122 C GLY A 9 11.691 -3.949 -2.326 1.00 20.01 C ATOM 123 O GLY A 9 12.498 -3.458 -1.535 1.00 73.32 O ATOM 0 H GLY A 9 9.591 -6.277 -3.109 1.00 2.42 H new ATOM 0 HA2 GLY A 9 11.509 -5.754 -1.193 1.00 63.53 H new ATOM 0 HA3 GLY A 9 11.810 -6.006 -2.901 1.00 63.53 H new ATOM 127 N THR A 10 11.158 -3.264 -3.333 1.00 12.44 N ATOM 128 CA THR A 10 11.498 -1.867 -3.571 1.00 43.23 C ATOM 129 C THR A 10 10.784 -0.950 -2.584 1.00 62.43 C ATOM 130 O THR A 10 11.328 0.072 -2.167 1.00 74.13 O ATOM 131 CB THR A 10 11.137 -1.438 -5.006 1.00 44.21 C ATOM 132 OG1 THR A 10 11.860 -2.234 -5.952 1.00 33.22 O ATOM 133 CG2 THR A 10 11.455 0.033 -5.227 1.00 51.40 C ATOM 0 H THR A 10 10.489 -3.654 -3.997 1.00 12.44 H new ATOM 0 HA THR A 10 12.575 -1.776 -3.432 1.00 43.23 H new ATOM 0 HB THR A 10 10.067 -1.588 -5.148 1.00 44.21 H new ATOM 0 HG1 THR A 10 11.624 -1.956 -6.862 1.00 33.22 H new ATOM 0 HG21 THR A 10 11.192 0.313 -6.247 1.00 51.40 H new ATOM 0 HG22 THR A 10 10.882 0.639 -4.525 1.00 51.40 H new ATOM 0 HG23 THR A 10 12.520 0.203 -5.067 1.00 51.40 H new ATOM 141 N ALA A 11 9.564 -1.324 -2.214 1.00 13.21 N ATOM 142 CA ALA A 11 8.777 -0.536 -1.273 1.00 75.33 C ATOM 143 C ALA A 11 9.546 -0.297 0.021 1.00 21.23 C ATOM 144 O ALA A 11 9.475 0.784 0.605 1.00 70.30 O ATOM 145 CB ALA A 11 7.453 -1.229 -0.983 1.00 24.23 C ATOM 0 H ALA A 11 9.099 -2.167 -2.551 1.00 13.21 H new ATOM 0 HA ALA A 11 8.575 0.433 -1.728 1.00 75.33 H new ATOM 0 HB1 ALA A 11 6.875 -0.630 -0.279 1.00 24.23 H new ATOM 0 HB2 ALA A 11 6.891 -1.342 -1.910 1.00 24.23 H new ATOM 0 HB3 ALA A 11 7.644 -2.212 -0.552 1.00 24.23 H new ATOM 151 N GLU A 12 10.280 -1.313 0.464 1.00 22.13 N ATOM 152 CA GLU A 12 11.061 -1.212 1.691 1.00 25.14 C ATOM 153 C GLU A 12 12.005 -0.014 1.639 1.00 50.14 C ATOM 154 O GLU A 12 11.965 0.861 2.504 1.00 43.11 O ATOM 155 CB GLU A 12 11.862 -2.496 1.920 1.00 42.14 C ATOM 156 CG GLU A 12 12.212 -2.744 3.377 1.00 5.32 C ATOM 157 CD GLU A 12 13.400 -3.673 3.542 1.00 15.31 C ATOM 158 OE1 GLU A 12 13.583 -4.558 2.681 1.00 70.42 O ATOM 159 OE2 GLU A 12 14.144 -3.515 4.532 1.00 45.44 O ATOM 0 H GLU A 12 10.350 -2.214 -0.008 1.00 22.13 H new ATOM 0 HA GLU A 12 10.368 -1.071 2.521 1.00 25.14 H new ATOM 0 HB2 GLU A 12 11.289 -3.343 1.544 1.00 42.14 H new ATOM 0 HB3 GLU A 12 12.782 -2.449 1.337 1.00 42.14 H new ATOM 0 HG2 GLU A 12 12.430 -1.792 3.862 1.00 5.32 H new ATOM 0 HG3 GLU A 12 11.348 -3.171 3.887 1.00 5.32 H new ATOM 166 N LYS A 13 12.854 0.019 0.617 1.00 72.31 N ATOM 167 CA LYS A 13 13.808 1.108 0.449 1.00 52.35 C ATOM 168 C LYS A 13 13.086 2.439 0.262 1.00 43.21 C ATOM 169 O LYS A 13 13.533 3.474 0.758 1.00 33.30 O ATOM 170 CB LYS A 13 14.717 0.836 -0.752 1.00 4.52 C ATOM 171 CG LYS A 13 15.863 -0.112 -0.444 1.00 43.22 C ATOM 172 CD LYS A 13 16.746 -0.333 -1.661 1.00 71.11 C ATOM 173 CE LYS A 13 17.639 0.869 -1.928 1.00 30.11 C ATOM 174 NZ LYS A 13 18.927 0.779 -1.186 1.00 32.34 N ATOM 0 H LYS A 13 12.900 -0.697 -0.108 1.00 72.31 H new ATOM 0 HA LYS A 13 14.416 1.168 1.351 1.00 52.35 H new ATOM 0 HB2 LYS A 13 14.119 0.419 -1.563 1.00 4.52 H new ATOM 0 HB3 LYS A 13 15.125 1.781 -1.110 1.00 4.52 H new ATOM 0 HG2 LYS A 13 16.461 0.292 0.372 1.00 43.22 H new ATOM 0 HG3 LYS A 13 15.464 -1.068 -0.104 1.00 43.22 H new ATOM 0 HD2 LYS A 13 17.363 -1.219 -1.508 1.00 71.11 H new ATOM 0 HD3 LYS A 13 16.122 -0.525 -2.534 1.00 71.11 H new ATOM 0 HE2 LYS A 13 17.840 0.942 -2.997 1.00 30.11 H new ATOM 0 HE3 LYS A 13 17.116 1.781 -1.639 1.00 30.11 H new ATOM 0 HZ1 LYS A 13 19.507 1.617 -1.395 1.00 32.34 H new ATOM 0 HZ2 LYS A 13 18.737 0.735 -0.164 1.00 32.34 H new ATOM 0 HZ3 LYS A 13 19.438 -0.078 -1.480 1.00 32.34 H new ATOM 188 N VAL A 14 11.968 2.405 -0.455 1.00 53.44 N ATOM 189 CA VAL A 14 11.183 3.609 -0.705 1.00 71.51 C ATOM 190 C VAL A 14 10.694 4.227 0.600 1.00 22.41 C ATOM 191 O VAL A 14 10.604 5.448 0.726 1.00 73.13 O ATOM 192 CB VAL A 14 9.969 3.310 -1.605 1.00 42.21 C ATOM 193 CG1 VAL A 14 9.146 4.570 -1.827 1.00 44.13 C ATOM 194 CG2 VAL A 14 10.422 2.719 -2.931 1.00 64.33 C ATOM 0 H VAL A 14 11.585 1.557 -0.873 1.00 53.44 H new ATOM 0 HA VAL A 14 11.839 4.315 -1.214 1.00 71.51 H new ATOM 0 HB VAL A 14 9.338 2.576 -1.103 1.00 42.21 H new ATOM 0 HG11 VAL A 14 8.293 4.340 -2.465 1.00 44.13 H new ATOM 0 HG12 VAL A 14 8.791 4.946 -0.868 1.00 44.13 H new ATOM 0 HG13 VAL A 14 9.764 5.328 -2.308 1.00 44.13 H new ATOM 0 HG21 VAL A 14 9.552 2.514 -3.554 1.00 64.33 H new ATOM 0 HG22 VAL A 14 11.075 3.427 -3.441 1.00 64.33 H new ATOM 0 HG23 VAL A 14 10.965 1.791 -2.749 1.00 64.33 H new ATOM 204 N VAL A 15 10.380 3.375 1.571 1.00 63.51 N ATOM 205 CA VAL A 15 9.902 3.836 2.868 1.00 0.55 C ATOM 206 C VAL A 15 10.886 4.814 3.501 1.00 43.13 C ATOM 207 O VAL A 15 10.492 5.718 4.238 1.00 64.21 O ATOM 208 CB VAL A 15 9.673 2.659 3.834 1.00 24.42 C ATOM 209 CG1 VAL A 15 9.205 3.163 5.191 1.00 40.14 C ATOM 210 CG2 VAL A 15 8.672 1.675 3.247 1.00 1.41 C ATOM 0 H VAL A 15 10.448 2.361 1.483 1.00 63.51 H new ATOM 0 HA VAL A 15 8.953 4.342 2.693 1.00 0.55 H new ATOM 0 HB VAL A 15 10.620 2.138 3.975 1.00 24.42 H new ATOM 0 HG11 VAL A 15 9.049 2.316 5.859 1.00 40.14 H new ATOM 0 HG12 VAL A 15 9.961 3.825 5.614 1.00 40.14 H new ATOM 0 HG13 VAL A 15 8.269 3.710 5.073 1.00 40.14 H new ATOM 0 HG21 VAL A 15 8.522 0.850 3.943 1.00 1.41 H new ATOM 0 HG22 VAL A 15 7.722 2.181 3.075 1.00 1.41 H new ATOM 0 HG23 VAL A 15 9.053 1.288 2.302 1.00 1.41 H new ATOM 220 N SER A 16 12.169 4.627 3.207 1.00 50.23 N ATOM 221 CA SER A 16 13.211 5.491 3.749 1.00 23.21 C ATOM 222 C SER A 16 12.973 6.945 3.353 1.00 73.30 C ATOM 223 O SER A 16 13.123 7.855 4.169 1.00 55.43 O ATOM 224 CB SER A 16 14.587 5.036 3.258 1.00 31.31 C ATOM 225 OG SER A 16 15.622 5.772 3.886 1.00 11.03 O ATOM 0 H SER A 16 12.511 3.885 2.597 1.00 50.23 H new ATOM 0 HA SER A 16 13.178 5.419 4.836 1.00 23.21 H new ATOM 0 HB2 SER A 16 14.716 3.973 3.463 1.00 31.31 H new ATOM 0 HB3 SER A 16 14.651 5.162 2.177 1.00 31.31 H new ATOM 0 HG SER A 16 16.491 5.461 3.556 1.00 11.03 H new ATOM 231 N LEU A 17 12.601 7.155 2.095 1.00 34.12 N ATOM 232 CA LEU A 17 12.341 8.498 1.589 1.00 54.04 C ATOM 233 C LEU A 17 11.050 9.061 2.175 1.00 20.03 C ATOM 234 O LEU A 17 10.972 10.244 2.507 1.00 51.44 O ATOM 235 CB LEU A 17 12.255 8.481 0.061 1.00 31.44 C ATOM 236 CG LEU A 17 13.561 8.749 -0.687 1.00 52.32 C ATOM 237 CD1 LEU A 17 14.033 10.174 -0.442 1.00 41.04 C ATOM 238 CD2 LEU A 17 14.631 7.751 -0.268 1.00 54.44 C ATOM 0 H LEU A 17 12.473 6.413 1.407 1.00 34.12 H new ATOM 0 HA LEU A 17 13.167 9.140 1.894 1.00 54.04 H new ATOM 0 HB2 LEU A 17 11.874 7.509 -0.251 1.00 31.44 H new ATOM 0 HB3 LEU A 17 11.522 9.225 -0.250 1.00 31.44 H new ATOM 0 HG LEU A 17 13.378 8.627 -1.755 1.00 52.32 H new ATOM 0 HD11 LEU A 17 14.964 10.347 -0.982 1.00 41.04 H new ATOM 0 HD12 LEU A 17 13.275 10.874 -0.793 1.00 41.04 H new ATOM 0 HD13 LEU A 17 14.199 10.324 0.625 1.00 41.04 H new ATOM 0 HD21 LEU A 17 15.553 7.957 -0.811 1.00 54.44 H new ATOM 0 HD22 LEU A 17 14.812 7.840 0.803 1.00 54.44 H new ATOM 0 HD23 LEU A 17 14.294 6.740 -0.496 1.00 54.44 H new ATOM 250 N ILE A 18 10.042 8.205 2.303 1.00 55.34 N ATOM 251 CA ILE A 18 8.756 8.617 2.853 1.00 70.14 C ATOM 252 C ILE A 18 8.890 9.026 4.315 1.00 14.44 C ATOM 253 O ILE A 18 8.415 10.087 4.719 1.00 1.13 O ATOM 254 CB ILE A 18 7.709 7.493 2.739 1.00 23.24 C ATOM 255 CG1 ILE A 18 7.655 6.959 1.306 1.00 11.24 C ATOM 256 CG2 ILE A 18 6.342 7.997 3.175 1.00 35.20 C ATOM 257 CD1 ILE A 18 6.669 5.827 1.120 1.00 2.12 C ATOM 0 H ILE A 18 10.091 7.222 2.034 1.00 55.34 H new ATOM 0 HA ILE A 18 8.422 9.474 2.268 1.00 70.14 H new ATOM 0 HB ILE A 18 8.001 6.676 3.399 1.00 23.24 H new ATOM 0 HG12 ILE A 18 7.391 7.774 0.633 1.00 11.24 H new ATOM 0 HG13 ILE A 18 8.648 6.616 1.017 1.00 11.24 H new ATOM 0 HG21 ILE A 18 5.613 7.191 3.089 1.00 35.20 H new ATOM 0 HG22 ILE A 18 6.391 8.333 4.211 1.00 35.20 H new ATOM 0 HG23 ILE A 18 6.041 8.829 2.538 1.00 35.20 H new ATOM 0 HD11 ILE A 18 6.684 5.499 0.081 1.00 2.12 H new ATOM 0 HD12 ILE A 18 6.944 4.995 1.768 1.00 2.12 H new ATOM 0 HD13 ILE A 18 5.667 6.171 1.377 1.00 2.12 H new ATOM 269 N ASN A 19 9.541 8.178 5.105 1.00 52.05 N ATOM 270 CA ASN A 19 9.739 8.452 6.523 1.00 14.12 C ATOM 271 C ASN A 19 10.466 9.778 6.725 1.00 63.21 C ATOM 272 O ASN A 19 10.313 10.431 7.756 1.00 11.14 O ATOM 273 CB ASN A 19 10.530 7.318 7.178 1.00 45.15 C ATOM 274 CG ASN A 19 10.976 7.662 8.586 1.00 65.14 C ATOM 275 OD1 ASN A 19 12.100 8.118 8.799 1.00 51.01 O ATOM 276 ND2 ASN A 19 10.095 7.444 9.555 1.00 65.41 N ATOM 0 H ASN A 19 9.940 7.295 4.787 1.00 52.05 H new ATOM 0 HA ASN A 19 8.759 8.521 6.994 1.00 14.12 H new ATOM 0 HB2 ASN A 19 9.916 6.418 7.204 1.00 45.15 H new ATOM 0 HB3 ASN A 19 11.404 7.089 6.569 1.00 45.15 H new ATOM 0 HD21 ASN A 19 10.338 7.656 10.523 1.00 65.41 H new ATOM 0 HD22 ASN A 19 9.175 7.065 9.332 1.00 65.41 H new ATOM 283 N ALA A 20 11.258 10.169 5.732 1.00 64.32 N ATOM 284 CA ALA A 20 12.008 11.417 5.799 1.00 53.24 C ATOM 285 C ALA A 20 11.070 12.619 5.825 1.00 0.55 C ATOM 286 O ALA A 20 11.456 13.711 6.241 1.00 44.24 O ATOM 287 CB ALA A 20 12.968 11.520 4.623 1.00 54.24 C ATOM 0 H ALA A 20 11.397 9.639 4.871 1.00 64.32 H new ATOM 0 HA ALA A 20 12.584 11.417 6.725 1.00 53.24 H new ATOM 0 HB1 ALA A 20 13.521 12.457 4.686 1.00 54.24 H new ATOM 0 HB2 ALA A 20 13.666 10.684 4.649 1.00 54.24 H new ATOM 0 HB3 ALA A 20 12.405 11.493 3.690 1.00 54.24 H new ATOM 293 N GLY A 21 9.835 12.411 5.379 1.00 50.31 N ATOM 294 CA GLY A 21 8.862 13.488 5.360 1.00 72.43 C ATOM 295 C GLY A 21 8.856 14.241 4.044 1.00 24.13 C ATOM 296 O GLY A 21 8.345 15.358 3.962 1.00 13.42 O ATOM 0 H GLY A 21 9.491 11.516 5.031 1.00 50.31 H new ATOM 0 HA2 GLY A 21 7.869 13.079 5.546 1.00 72.43 H new ATOM 0 HA3 GLY A 21 9.078 14.183 6.172 1.00 72.43 H new ATOM 300 N LEU A 22 9.428 13.630 3.012 1.00 1.24 N ATOM 301 CA LEU A 22 9.489 14.251 1.694 1.00 51.13 C ATOM 302 C LEU A 22 8.128 14.205 1.007 1.00 71.33 C ATOM 303 O LEU A 22 7.371 13.247 1.168 1.00 74.01 O ATOM 304 CB LEU A 22 10.535 13.550 0.826 1.00 62.42 C ATOM 305 CG LEU A 22 11.948 14.131 0.876 1.00 4.52 C ATOM 306 CD1 LEU A 22 12.636 13.751 2.178 1.00 2.11 C ATOM 307 CD2 LEU A 22 12.763 13.657 -0.318 1.00 64.01 C ATOM 0 H LEU A 22 9.856 12.705 3.063 1.00 1.24 H new ATOM 0 HA LEU A 22 9.775 15.295 1.824 1.00 51.13 H new ATOM 0 HB2 LEU A 22 10.584 12.503 1.125 1.00 62.42 H new ATOM 0 HB3 LEU A 22 10.192 13.570 -0.208 1.00 62.42 H new ATOM 0 HG LEU A 22 11.874 15.218 0.831 1.00 4.52 H new ATOM 0 HD11 LEU A 22 13.641 14.173 2.195 1.00 2.11 H new ATOM 0 HD12 LEU A 22 12.064 14.141 3.019 1.00 2.11 H new ATOM 0 HD13 LEU A 22 12.698 12.665 2.254 1.00 2.11 H new ATOM 0 HD21 LEU A 22 13.766 14.081 -0.265 1.00 64.01 H new ATOM 0 HD22 LEU A 22 12.828 12.569 -0.306 1.00 64.01 H new ATOM 0 HD23 LEU A 22 12.280 13.981 -1.240 1.00 64.01 H new ATOM 319 N THR A 23 7.823 15.245 0.237 1.00 1.34 N ATOM 320 CA THR A 23 6.554 15.323 -0.475 1.00 43.24 C ATOM 321 C THR A 23 6.562 14.429 -1.710 1.00 54.53 C ATOM 322 O THR A 23 7.622 14.079 -2.229 1.00 55.44 O ATOM 323 CB THR A 23 6.238 16.769 -0.904 1.00 25.33 C ATOM 324 OG1 THR A 23 7.404 17.377 -1.471 1.00 52.23 O ATOM 325 CG2 THR A 23 5.757 17.591 0.282 1.00 50.52 C ATOM 0 H THR A 23 8.438 16.045 0.091 1.00 1.34 H new ATOM 0 HA THR A 23 5.783 14.980 0.214 1.00 43.24 H new ATOM 0 HB THR A 23 5.445 16.739 -1.651 1.00 25.33 H new ATOM 0 HG1 THR A 23 7.195 18.295 -1.743 1.00 52.23 H new ATOM 0 HG21 THR A 23 5.540 18.608 -0.044 1.00 50.52 H new ATOM 0 HG22 THR A 23 4.853 17.141 0.694 1.00 50.52 H new ATOM 0 HG23 THR A 23 6.532 17.613 1.048 1.00 50.52 H new ATOM 333 N VAL A 24 5.372 14.063 -2.177 1.00 41.52 N ATOM 334 CA VAL A 24 5.242 13.211 -3.353 1.00 54.52 C ATOM 335 C VAL A 24 6.053 13.760 -4.522 1.00 30.53 C ATOM 336 O VAL A 24 6.535 13.004 -5.365 1.00 1.43 O ATOM 337 CB VAL A 24 3.770 13.072 -3.785 1.00 14.40 C ATOM 338 CG1 VAL A 24 2.922 12.553 -2.634 1.00 21.32 C ATOM 339 CG2 VAL A 24 3.236 14.403 -4.293 1.00 13.45 C ATOM 0 H VAL A 24 4.485 14.343 -1.759 1.00 41.52 H new ATOM 0 HA VAL A 24 5.627 12.229 -3.077 1.00 54.52 H new ATOM 0 HB VAL A 24 3.715 12.350 -4.599 1.00 14.40 H new ATOM 0 HG11 VAL A 24 1.885 12.461 -2.958 1.00 21.32 H new ATOM 0 HG12 VAL A 24 3.292 11.577 -2.321 1.00 21.32 H new ATOM 0 HG13 VAL A 24 2.980 13.249 -1.797 1.00 21.32 H new ATOM 0 HG21 VAL A 24 2.195 14.286 -4.594 1.00 13.45 H new ATOM 0 HG22 VAL A 24 3.303 15.148 -3.501 1.00 13.45 H new ATOM 0 HG23 VAL A 24 3.827 14.729 -5.149 1.00 13.45 H new ATOM 349 N GLY A 25 6.200 15.080 -4.565 1.00 44.31 N ATOM 350 CA GLY A 25 6.955 15.708 -5.634 1.00 73.13 C ATOM 351 C GLY A 25 8.363 15.160 -5.749 1.00 62.43 C ATOM 352 O GLY A 25 8.792 14.753 -6.829 1.00 41.12 O ATOM 0 H GLY A 25 5.810 15.726 -3.879 1.00 44.31 H new ATOM 0 HA2 GLY A 25 6.433 15.560 -6.579 1.00 73.13 H new ATOM 0 HA3 GLY A 25 7.000 16.783 -5.460 1.00 73.13 H new ATOM 356 N SER A 26 9.086 15.150 -4.634 1.00 34.54 N ATOM 357 CA SER A 26 10.456 14.652 -4.615 1.00 3.30 C ATOM 358 C SER A 26 10.500 13.167 -4.960 1.00 30.20 C ATOM 359 O SER A 26 11.502 12.667 -5.472 1.00 72.24 O ATOM 360 CB SER A 26 11.088 14.887 -3.241 1.00 52.24 C ATOM 361 OG SER A 26 11.076 16.263 -2.904 1.00 4.44 O ATOM 0 H SER A 26 8.745 15.481 -3.731 1.00 34.54 H new ATOM 0 HA SER A 26 11.025 15.199 -5.367 1.00 3.30 H new ATOM 0 HB2 SER A 26 10.545 14.319 -2.485 1.00 52.24 H new ATOM 0 HB3 SER A 26 12.114 14.518 -3.241 1.00 52.24 H new ATOM 0 HG SER A 26 11.483 16.387 -2.021 1.00 4.44 H new ATOM 367 N ILE A 27 9.407 12.467 -4.675 1.00 53.41 N ATOM 368 CA ILE A 27 9.319 11.040 -4.956 1.00 21.32 C ATOM 369 C ILE A 27 9.373 10.770 -6.456 1.00 15.13 C ATOM 370 O ILE A 27 10.044 9.841 -6.906 1.00 34.00 O ATOM 371 CB ILE A 27 8.026 10.432 -4.382 1.00 32.50 C ATOM 372 CG1 ILE A 27 7.875 10.799 -2.905 1.00 1.55 C ATOM 373 CG2 ILE A 27 8.027 8.921 -4.560 1.00 32.53 C ATOM 374 CD1 ILE A 27 8.951 10.207 -2.021 1.00 74.44 C ATOM 0 H ILE A 27 8.570 12.865 -4.250 1.00 53.41 H new ATOM 0 HA ILE A 27 10.177 10.570 -4.474 1.00 21.32 H new ATOM 0 HB ILE A 27 7.176 10.843 -4.927 1.00 32.50 H new ATOM 0 HG12 ILE A 27 7.891 11.884 -2.805 1.00 1.55 H new ATOM 0 HG13 ILE A 27 6.900 10.461 -2.553 1.00 1.55 H new ATOM 0 HG21 ILE A 27 7.107 8.506 -4.149 1.00 32.53 H new ATOM 0 HG22 ILE A 27 8.092 8.680 -5.621 1.00 32.53 H new ATOM 0 HG23 ILE A 27 8.883 8.494 -4.037 1.00 32.53 H new ATOM 0 HD11 ILE A 27 8.780 10.509 -0.988 1.00 74.44 H new ATOM 0 HD12 ILE A 27 8.922 9.120 -2.091 1.00 74.44 H new ATOM 0 HD13 ILE A 27 9.928 10.565 -2.347 1.00 74.44 H new ATOM 386 N ILE A 28 8.663 11.589 -7.224 1.00 53.31 N ATOM 387 CA ILE A 28 8.632 11.441 -8.674 1.00 32.12 C ATOM 388 C ILE A 28 10.027 11.588 -9.271 1.00 60.24 C ATOM 389 O ILE A 28 10.379 10.899 -10.229 1.00 22.23 O ATOM 390 CB ILE A 28 7.695 12.475 -9.326 1.00 10.02 C ATOM 391 CG1 ILE A 28 6.306 12.412 -8.686 1.00 45.30 C ATOM 392 CG2 ILE A 28 7.604 12.236 -10.826 1.00 4.34 C ATOM 393 CD1 ILE A 28 5.594 11.098 -8.915 1.00 65.50 C ATOM 0 H ILE A 28 8.101 12.362 -6.867 1.00 53.31 H new ATOM 0 HA ILE A 28 8.254 10.440 -8.881 1.00 32.12 H new ATOM 0 HB ILE A 28 8.106 13.471 -9.161 1.00 10.02 H new ATOM 0 HG12 ILE A 28 6.401 12.582 -7.614 1.00 45.30 H new ATOM 0 HG13 ILE A 28 5.694 13.222 -9.084 1.00 45.30 H new ATOM 0 HG21 ILE A 28 6.938 12.975 -11.272 1.00 4.34 H new ATOM 0 HG22 ILE A 28 8.596 12.326 -11.270 1.00 4.34 H new ATOM 0 HG23 ILE A 28 7.213 11.236 -11.012 1.00 4.34 H new ATOM 0 HD11 ILE A 28 4.616 11.125 -8.434 1.00 65.50 H new ATOM 0 HD12 ILE A 28 5.467 10.935 -9.985 1.00 65.50 H new ATOM 0 HD13 ILE A 28 6.185 10.286 -8.492 1.00 65.50 H new ATOM 405 N SER A 29 10.818 12.489 -8.699 1.00 3.15 N ATOM 406 CA SER A 29 12.175 12.728 -9.176 1.00 4.24 C ATOM 407 C SER A 29 13.039 11.482 -9.005 1.00 33.13 C ATOM 408 O SER A 29 13.959 11.239 -9.786 1.00 54.04 O ATOM 409 CB SER A 29 12.803 13.904 -8.424 1.00 51.15 C ATOM 410 OG SER A 29 14.204 13.954 -8.634 1.00 34.11 O ATOM 0 H SER A 29 10.543 13.066 -7.904 1.00 3.15 H new ATOM 0 HA SER A 29 12.123 12.970 -10.237 1.00 4.24 H new ATOM 0 HB2 SER A 29 12.349 14.837 -8.757 1.00 51.15 H new ATOM 0 HB3 SER A 29 12.595 13.811 -7.358 1.00 51.15 H new ATOM 0 HG SER A 29 14.581 14.715 -8.144 1.00 34.11 H new ATOM 416 N ILE A 30 12.735 10.696 -7.977 1.00 41.12 N ATOM 417 CA ILE A 30 13.482 9.475 -7.704 1.00 31.53 C ATOM 418 C ILE A 30 13.205 8.412 -8.762 1.00 14.11 C ATOM 419 O ILE A 30 14.114 7.966 -9.463 1.00 20.02 O ATOM 420 CB ILE A 30 13.137 8.903 -6.316 1.00 22.22 C ATOM 421 CG1 ILE A 30 13.440 9.933 -5.226 1.00 54.41 C ATOM 422 CG2 ILE A 30 13.911 7.617 -6.066 1.00 32.13 C ATOM 423 CD1 ILE A 30 14.908 10.281 -5.114 1.00 35.23 C ATOM 0 H ILE A 30 11.977 10.883 -7.320 1.00 41.12 H new ATOM 0 HA ILE A 30 14.539 9.740 -7.727 1.00 31.53 H new ATOM 0 HB ILE A 30 12.072 8.675 -6.288 1.00 22.22 H new ATOM 0 HG12 ILE A 30 12.874 10.842 -5.429 1.00 54.41 H new ATOM 0 HG13 ILE A 30 13.092 9.548 -4.267 1.00 54.41 H new ATOM 0 HG21 ILE A 30 13.657 7.225 -5.081 1.00 32.13 H new ATOM 0 HG22 ILE A 30 13.651 6.882 -6.828 1.00 32.13 H new ATOM 0 HG23 ILE A 30 14.981 7.822 -6.110 1.00 32.13 H new ATOM 0 HD11 ILE A 30 15.048 11.016 -4.322 1.00 35.23 H new ATOM 0 HD12 ILE A 30 15.478 9.382 -4.880 1.00 35.23 H new ATOM 0 HD13 ILE A 30 15.257 10.696 -6.060 1.00 35.23 H new ATOM 435 N LEU A 31 11.943 8.012 -8.874 1.00 31.11 N ATOM 436 CA LEU A 31 11.544 7.002 -9.849 1.00 2.52 C ATOM 437 C LEU A 31 12.038 7.369 -11.245 1.00 30.42 C ATOM 438 O LEU A 31 12.518 6.514 -11.989 1.00 12.25 O ATOM 439 CB LEU A 31 10.022 6.847 -9.858 1.00 44.32 C ATOM 440 CG LEU A 31 9.432 5.957 -8.765 1.00 32.54 C ATOM 441 CD1 LEU A 31 9.109 6.776 -7.525 1.00 55.21 C ATOM 442 CD2 LEU A 31 8.188 5.242 -9.273 1.00 22.32 C ATOM 0 H LEU A 31 11.179 8.371 -8.302 1.00 31.11 H new ATOM 0 HA LEU A 31 11.998 6.054 -9.561 1.00 2.52 H new ATOM 0 HB2 LEU A 31 9.575 7.838 -9.772 1.00 44.32 H new ATOM 0 HB3 LEU A 31 9.723 6.445 -10.826 1.00 44.32 H new ATOM 0 HG LEU A 31 10.174 5.206 -8.495 1.00 32.54 H new ATOM 0 HD11 LEU A 31 8.690 6.125 -6.758 1.00 55.21 H new ATOM 0 HD12 LEU A 31 10.020 7.241 -7.148 1.00 55.21 H new ATOM 0 HD13 LEU A 31 8.385 7.550 -7.779 1.00 55.21 H new ATOM 0 HD21 LEU A 31 7.781 4.613 -8.481 1.00 22.32 H new ATOM 0 HD22 LEU A 31 7.441 5.978 -9.571 1.00 22.32 H new ATOM 0 HD23 LEU A 31 8.449 4.622 -10.131 1.00 22.32 H new ATOM 454 N GLY A 32 11.919 8.646 -11.593 1.00 54.32 N ATOM 455 CA GLY A 32 12.359 9.104 -12.898 1.00 61.41 C ATOM 456 C GLY A 32 11.397 8.715 -14.004 1.00 2.55 C ATOM 457 O GLY A 32 11.756 8.725 -15.180 1.00 64.11 O ATOM 0 H GLY A 32 11.526 9.372 -10.994 1.00 54.32 H new ATOM 0 HA2 GLY A 32 12.469 10.188 -12.881 1.00 61.41 H new ATOM 0 HA3 GLY A 32 13.343 8.687 -13.113 1.00 61.41 H new ATOM 461 N GLY A 33 10.170 8.371 -13.625 1.00 1.14 N ATOM 462 CA GLY A 33 9.173 7.981 -14.604 1.00 63.23 C ATOM 463 C GLY A 33 7.814 8.590 -14.323 1.00 41.20 C ATOM 464 O GLY A 33 7.659 9.376 -13.388 1.00 23.21 O ATOM 0 H GLY A 33 9.849 8.356 -12.657 1.00 1.14 H new ATOM 0 HA2 GLY A 33 9.505 8.284 -15.597 1.00 63.23 H new ATOM 0 HA3 GLY A 33 9.085 6.895 -14.615 1.00 63.23 H new ATOM 468 N VAL A 34 6.826 8.229 -15.135 1.00 52.23 N ATOM 469 CA VAL A 34 5.473 8.746 -14.970 1.00 14.23 C ATOM 470 C VAL A 34 4.749 8.037 -13.831 1.00 31.13 C ATOM 471 O VAL A 34 3.693 7.435 -14.030 1.00 11.23 O ATOM 472 CB VAL A 34 4.650 8.590 -16.262 1.00 71.34 C ATOM 473 CG1 VAL A 34 3.343 9.361 -16.160 1.00 72.03 C ATOM 474 CG2 VAL A 34 5.458 9.050 -17.466 1.00 55.34 C ATOM 0 H VAL A 34 6.937 7.580 -15.914 1.00 52.23 H new ATOM 0 HA VAL A 34 5.567 9.806 -14.734 1.00 14.23 H new ATOM 0 HB VAL A 34 4.411 7.535 -16.395 1.00 71.34 H new ATOM 0 HG11 VAL A 34 2.775 9.239 -17.082 1.00 72.03 H new ATOM 0 HG12 VAL A 34 2.760 8.979 -15.322 1.00 72.03 H new ATOM 0 HG13 VAL A 34 3.556 10.418 -16.002 1.00 72.03 H new ATOM 0 HG21 VAL A 34 4.861 8.933 -18.371 1.00 55.34 H new ATOM 0 HG22 VAL A 34 5.729 10.099 -17.343 1.00 55.34 H new ATOM 0 HG23 VAL A 34 6.363 8.448 -17.548 1.00 55.34 H new ATOM 484 N THR A 35 5.324 8.111 -12.634 1.00 55.42 N ATOM 485 CA THR A 35 4.734 7.476 -11.462 1.00 42.23 C ATOM 486 C THR A 35 3.738 8.404 -10.776 1.00 44.33 C ATOM 487 O THR A 35 3.252 8.111 -9.684 1.00 0.20 O ATOM 488 CB THR A 35 5.814 7.060 -10.446 1.00 64.43 C ATOM 489 OG1 THR A 35 5.204 6.443 -9.307 1.00 53.22 O ATOM 490 CG2 THR A 35 6.631 8.263 -10.001 1.00 3.12 C ATOM 0 H THR A 35 6.198 8.605 -12.451 1.00 55.42 H new ATOM 0 HA THR A 35 4.213 6.585 -11.814 1.00 42.23 H new ATOM 0 HB THR A 35 6.481 6.347 -10.930 1.00 64.43 H new ATOM 0 HG1 THR A 35 4.443 6.984 -9.011 1.00 53.22 H new ATOM 0 HG21 THR A 35 7.387 7.944 -9.284 1.00 3.12 H new ATOM 0 HG22 THR A 35 7.118 8.712 -10.866 1.00 3.12 H new ATOM 0 HG23 THR A 35 5.974 8.996 -9.533 1.00 3.12 H new ATOM 498 N VAL A 36 3.438 9.525 -11.424 1.00 51.43 N ATOM 499 CA VAL A 36 2.498 10.496 -10.877 1.00 12.20 C ATOM 500 C VAL A 36 1.157 9.844 -10.558 1.00 63.23 C ATOM 501 O VAL A 36 0.411 10.319 -9.703 1.00 42.25 O ATOM 502 CB VAL A 36 2.268 11.666 -11.852 1.00 50.20 C ATOM 503 CG1 VAL A 36 1.374 12.721 -11.219 1.00 12.41 C ATOM 504 CG2 VAL A 36 3.597 12.270 -12.282 1.00 35.31 C ATOM 0 H VAL A 36 3.832 9.783 -12.329 1.00 51.43 H new ATOM 0 HA VAL A 36 2.940 10.880 -9.958 1.00 12.20 H new ATOM 0 HB VAL A 36 1.765 11.283 -12.740 1.00 50.20 H new ATOM 0 HG11 VAL A 36 1.223 13.540 -11.923 1.00 12.41 H new ATOM 0 HG12 VAL A 36 0.411 12.278 -10.966 1.00 12.41 H new ATOM 0 HG13 VAL A 36 1.847 13.103 -10.314 1.00 12.41 H new ATOM 0 HG21 VAL A 36 3.416 13.095 -12.971 1.00 35.31 H new ATOM 0 HG22 VAL A 36 4.129 12.639 -11.405 1.00 35.31 H new ATOM 0 HG23 VAL A 36 4.199 11.509 -12.778 1.00 35.31 H new ATOM 514 N GLY A 37 0.858 8.750 -11.252 1.00 74.14 N ATOM 515 CA GLY A 37 -0.393 8.049 -11.029 1.00 13.02 C ATOM 516 C GLY A 37 -0.485 7.456 -9.637 1.00 22.11 C ATOM 517 O GLY A 37 -1.507 7.590 -8.963 1.00 31.32 O ATOM 0 H GLY A 37 1.460 8.337 -11.964 1.00 74.14 H new ATOM 0 HA2 GLY A 37 -1.224 8.737 -11.183 1.00 13.02 H new ATOM 0 HA3 GLY A 37 -0.497 7.254 -11.767 1.00 13.02 H new ATOM 521 N LEU A 38 0.585 6.797 -9.205 1.00 12.32 N ATOM 522 CA LEU A 38 0.621 6.179 -7.884 1.00 11.43 C ATOM 523 C LEU A 38 0.578 7.238 -6.786 1.00 75.32 C ATOM 524 O LEU A 38 0.122 6.974 -5.674 1.00 12.15 O ATOM 525 CB LEU A 38 1.880 5.324 -7.733 1.00 70.25 C ATOM 526 CG LEU A 38 1.823 3.930 -8.361 1.00 4.43 C ATOM 527 CD1 LEU A 38 0.681 3.123 -7.765 1.00 31.34 C ATOM 528 CD2 LEU A 38 1.676 4.031 -9.872 1.00 11.41 C ATOM 0 H LEU A 38 1.439 6.677 -9.750 1.00 12.32 H new ATOM 0 HA LEU A 38 -0.258 5.542 -7.784 1.00 11.43 H new ATOM 0 HB2 LEU A 38 2.718 5.865 -8.173 1.00 70.25 H new ATOM 0 HB3 LEU A 38 2.095 5.214 -6.670 1.00 70.25 H new ATOM 0 HG LEU A 38 2.758 3.415 -8.141 1.00 4.43 H new ATOM 0 HD11 LEU A 38 0.656 2.134 -8.224 1.00 31.34 H new ATOM 0 HD12 LEU A 38 0.830 3.021 -6.690 1.00 31.34 H new ATOM 0 HD13 LEU A 38 -0.263 3.634 -7.953 1.00 31.34 H new ATOM 0 HD21 LEU A 38 1.637 3.030 -10.302 1.00 11.41 H new ATOM 0 HD22 LEU A 38 0.757 4.565 -10.113 1.00 11.41 H new ATOM 0 HD23 LEU A 38 2.528 4.570 -10.285 1.00 11.41 H new ATOM 540 N SER A 39 1.053 8.437 -7.108 1.00 71.41 N ATOM 541 CA SER A 39 1.070 9.535 -6.149 1.00 70.10 C ATOM 542 C SER A 39 -0.312 9.744 -5.538 1.00 33.00 C ATOM 543 O SER A 39 -0.439 10.190 -4.398 1.00 64.23 O ATOM 544 CB SER A 39 1.541 10.824 -6.826 1.00 22.53 C ATOM 545 OG SER A 39 0.448 11.546 -7.365 1.00 34.14 O ATOM 0 H SER A 39 1.431 8.673 -8.026 1.00 71.41 H new ATOM 0 HA SER A 39 1.766 9.277 -5.351 1.00 70.10 H new ATOM 0 HB2 SER A 39 2.070 11.445 -6.104 1.00 22.53 H new ATOM 0 HB3 SER A 39 2.249 10.584 -7.619 1.00 22.53 H new ATOM 0 HG SER A 39 0.150 11.118 -8.195 1.00 34.14 H new ATOM 551 N GLY A 40 -1.348 9.418 -6.306 1.00 44.11 N ATOM 552 CA GLY A 40 -2.707 9.577 -5.825 1.00 34.13 C ATOM 553 C GLY A 40 -2.928 8.912 -4.480 1.00 41.33 C ATOM 554 O GLY A 40 -3.712 9.394 -3.663 1.00 34.33 O ATOM 0 H GLY A 40 -1.269 9.047 -7.253 1.00 44.11 H new ATOM 0 HA2 GLY A 40 -2.939 10.639 -5.744 1.00 34.13 H new ATOM 0 HA3 GLY A 40 -3.399 9.155 -6.554 1.00 34.13 H new ATOM 558 N VAL A 41 -2.235 7.801 -4.250 1.00 52.43 N ATOM 559 CA VAL A 41 -2.359 7.069 -2.996 1.00 34.12 C ATOM 560 C VAL A 41 -1.143 7.295 -2.105 1.00 13.24 C ATOM 561 O VAL A 41 -1.225 7.173 -0.882 1.00 43.21 O ATOM 562 CB VAL A 41 -2.527 5.558 -3.242 1.00 74.24 C ATOM 563 CG1 VAL A 41 -3.826 5.279 -3.984 1.00 21.33 C ATOM 564 CG2 VAL A 41 -1.336 5.008 -4.012 1.00 3.31 C ATOM 0 H VAL A 41 -1.582 7.389 -4.916 1.00 52.43 H new ATOM 0 HA VAL A 41 -3.249 7.449 -2.495 1.00 34.12 H new ATOM 0 HB VAL A 41 -2.571 5.053 -2.277 1.00 74.24 H new ATOM 0 HG11 VAL A 41 -3.928 4.206 -4.149 1.00 21.33 H new ATOM 0 HG12 VAL A 41 -4.668 5.636 -3.391 1.00 21.33 H new ATOM 0 HG13 VAL A 41 -3.814 5.794 -4.944 1.00 21.33 H new ATOM 0 HG21 VAL A 41 -1.472 3.939 -4.177 1.00 3.31 H new ATOM 0 HG22 VAL A 41 -1.258 5.516 -4.973 1.00 3.31 H new ATOM 0 HG23 VAL A 41 -0.424 5.174 -3.439 1.00 3.31 H new ATOM 574 N PHE A 42 -0.016 7.626 -2.725 1.00 5.03 N ATOM 575 CA PHE A 42 1.219 7.869 -1.988 1.00 1.32 C ATOM 576 C PHE A 42 0.994 8.883 -0.869 1.00 63.25 C ATOM 577 O PHE A 42 1.522 8.736 0.233 1.00 21.05 O ATOM 578 CB PHE A 42 2.312 8.371 -2.934 1.00 22.23 C ATOM 579 CG PHE A 42 3.701 8.006 -2.492 1.00 73.35 C ATOM 580 CD1 PHE A 42 4.274 6.808 -2.887 1.00 24.44 C ATOM 581 CD2 PHE A 42 4.432 8.861 -1.684 1.00 63.41 C ATOM 582 CE1 PHE A 42 5.552 6.469 -2.481 1.00 74.02 C ATOM 583 CE2 PHE A 42 5.710 8.527 -1.276 1.00 2.51 C ATOM 584 CZ PHE A 42 6.271 7.330 -1.676 1.00 12.40 C ATOM 0 H PHE A 42 0.068 7.732 -3.736 1.00 5.03 H new ATOM 0 HA PHE A 42 1.538 6.927 -1.542 1.00 1.32 H new ATOM 0 HB2 PHE A 42 2.137 7.962 -3.929 1.00 22.23 H new ATOM 0 HB3 PHE A 42 2.239 9.455 -3.018 1.00 22.23 H new ATOM 0 HD1 PHE A 42 3.717 6.132 -3.519 1.00 24.44 H new ATOM 0 HD2 PHE A 42 3.999 9.799 -1.369 1.00 63.41 H new ATOM 0 HE1 PHE A 42 5.987 5.531 -2.794 1.00 74.02 H new ATOM 0 HE2 PHE A 42 6.269 9.202 -0.645 1.00 2.51 H new ATOM 0 HZ PHE A 42 7.270 7.068 -1.360 1.00 12.40 H new ATOM 594 N THR A 43 0.207 9.913 -1.162 1.00 53.32 N ATOM 595 CA THR A 43 -0.087 10.953 -0.184 1.00 33.43 C ATOM 596 C THR A 43 -0.800 10.376 1.034 1.00 73.51 C ATOM 597 O THR A 43 -0.433 10.661 2.173 1.00 11.41 O ATOM 598 CB THR A 43 -0.958 12.068 -0.793 1.00 65.12 C ATOM 599 OG1 THR A 43 -0.573 12.302 -2.153 1.00 21.34 O ATOM 600 CG2 THR A 43 -0.824 13.356 0.006 1.00 73.35 C ATOM 0 H THR A 43 -0.239 10.049 -2.069 1.00 53.32 H new ATOM 0 HA THR A 43 0.869 11.376 0.124 1.00 33.43 H new ATOM 0 HB THR A 43 -1.999 11.745 -0.760 1.00 65.12 H new ATOM 0 HG1 THR A 43 -1.132 13.011 -2.534 1.00 21.34 H new ATOM 0 HG21 THR A 43 -1.448 14.129 -0.443 1.00 73.35 H new ATOM 0 HG22 THR A 43 -1.144 13.182 1.033 1.00 73.35 H new ATOM 0 HG23 THR A 43 0.216 13.681 0.001 1.00 73.35 H new ATOM 608 N ALA A 44 -1.821 9.561 0.785 1.00 1.45 N ATOM 609 CA ALA A 44 -2.583 8.942 1.862 1.00 35.12 C ATOM 610 C ALA A 44 -1.726 7.952 2.643 1.00 21.02 C ATOM 611 O ALA A 44 -1.894 7.788 3.852 1.00 70.03 O ATOM 612 CB ALA A 44 -3.817 8.248 1.304 1.00 53.52 C ATOM 0 H ALA A 44 -2.139 9.315 -0.152 1.00 1.45 H new ATOM 0 HA ALA A 44 -2.900 9.728 2.547 1.00 35.12 H new ATOM 0 HB1 ALA A 44 -4.377 7.790 2.119 1.00 53.52 H new ATOM 0 HB2 ALA A 44 -4.447 8.979 0.797 1.00 53.52 H new ATOM 0 HB3 ALA A 44 -3.512 7.478 0.596 1.00 53.52 H new ATOM 618 N VAL A 45 -0.806 7.293 1.945 1.00 13.31 N ATOM 619 CA VAL A 45 0.078 6.319 2.573 1.00 2.35 C ATOM 620 C VAL A 45 0.980 6.983 3.608 1.00 42.12 C ATOM 621 O VAL A 45 1.119 6.497 4.730 1.00 25.13 O ATOM 622 CB VAL A 45 0.954 5.601 1.530 1.00 42.32 C ATOM 623 CG1 VAL A 45 1.889 4.611 2.207 1.00 33.34 C ATOM 624 CG2 VAL A 45 0.085 4.904 0.494 1.00 10.12 C ATOM 0 H VAL A 45 -0.654 7.416 0.944 1.00 13.31 H new ATOM 0 HA VAL A 45 -0.559 5.586 3.067 1.00 2.35 H new ATOM 0 HB VAL A 45 1.563 6.346 1.018 1.00 42.32 H new ATOM 0 HG11 VAL A 45 2.500 4.114 1.454 1.00 33.34 H new ATOM 0 HG12 VAL A 45 2.536 5.141 2.906 1.00 33.34 H new ATOM 0 HG13 VAL A 45 1.303 3.868 2.747 1.00 33.34 H new ATOM 0 HG21 VAL A 45 0.720 4.402 -0.235 1.00 10.12 H new ATOM 0 HG22 VAL A 45 -0.551 4.170 0.988 1.00 10.12 H new ATOM 0 HG23 VAL A 45 -0.538 5.641 -0.014 1.00 10.12 H new ATOM 634 N LYS A 46 1.592 8.098 3.223 1.00 53.22 N ATOM 635 CA LYS A 46 2.480 8.832 4.116 1.00 30.14 C ATOM 636 C LYS A 46 1.784 9.149 5.436 1.00 32.31 C ATOM 637 O LYS A 46 2.300 8.842 6.510 1.00 2.12 O ATOM 638 CB LYS A 46 2.949 10.128 3.451 1.00 24.23 C ATOM 639 CG LYS A 46 4.161 10.751 4.122 1.00 42.31 C ATOM 640 CD LYS A 46 3.767 11.555 5.350 1.00 21.40 C ATOM 641 CE LYS A 46 4.881 12.497 5.781 1.00 71.41 C ATOM 642 NZ LYS A 46 4.470 13.354 6.927 1.00 30.22 N ATOM 0 H LYS A 46 1.489 8.513 2.297 1.00 53.22 H new ATOM 0 HA LYS A 46 3.346 8.203 4.324 1.00 30.14 H new ATOM 0 HB2 LYS A 46 3.186 9.926 2.407 1.00 24.23 H new ATOM 0 HB3 LYS A 46 2.130 10.847 3.458 1.00 24.23 H new ATOM 0 HG2 LYS A 46 4.862 9.967 4.409 1.00 42.31 H new ATOM 0 HG3 LYS A 46 4.678 11.398 3.413 1.00 42.31 H new ATOM 0 HD2 LYS A 46 2.866 12.130 5.136 1.00 21.40 H new ATOM 0 HD3 LYS A 46 3.526 10.877 6.168 1.00 21.40 H new ATOM 0 HE2 LYS A 46 5.761 11.916 6.059 1.00 71.41 H new ATOM 0 HE3 LYS A 46 5.168 13.128 4.940 1.00 71.41 H new ATOM 0 HZ1 LYS A 46 5.256 13.982 7.191 1.00 30.22 H new ATOM 0 HZ2 LYS A 46 3.646 13.927 6.654 1.00 30.22 H new ATOM 0 HZ3 LYS A 46 4.220 12.753 7.738 1.00 30.22 H new ATOM 656 N ALA A 47 0.609 9.763 5.347 1.00 35.34 N ATOM 657 CA ALA A 47 -0.160 10.117 6.534 1.00 4.34 C ATOM 658 C ALA A 47 -0.573 8.873 7.313 1.00 24.01 C ATOM 659 O ALA A 47 -0.651 8.895 8.541 1.00 41.21 O ATOM 660 CB ALA A 47 -1.386 10.931 6.146 1.00 24.43 C ATOM 0 H ALA A 47 0.169 10.026 4.465 1.00 35.34 H new ATOM 0 HA ALA A 47 0.475 10.723 7.180 1.00 4.34 H new ATOM 0 HB1 ALA A 47 -1.951 11.188 7.042 1.00 24.43 H new ATOM 0 HB2 ALA A 47 -1.071 11.844 5.641 1.00 24.43 H new ATOM 0 HB3 ALA A 47 -2.015 10.344 5.477 1.00 24.43 H new ATOM 666 N ALA A 48 -0.837 7.789 6.591 1.00 45.13 N ATOM 667 CA ALA A 48 -1.240 6.535 7.214 1.00 13.13 C ATOM 668 C ALA A 48 -0.197 6.061 8.221 1.00 50.45 C ATOM 669 O ALA A 48 -0.533 5.451 9.236 1.00 63.54 O ATOM 670 CB ALA A 48 -1.475 5.470 6.154 1.00 73.23 C ATOM 0 H ALA A 48 -0.779 7.754 5.573 1.00 45.13 H new ATOM 0 HA ALA A 48 -2.172 6.709 7.751 1.00 13.13 H new ATOM 0 HB1 ALA A 48 -1.775 4.539 6.634 1.00 73.23 H new ATOM 0 HB2 ALA A 48 -2.262 5.799 5.476 1.00 73.23 H new ATOM 0 HB3 ALA A 48 -0.556 5.308 5.591 1.00 73.23 H new ATOM 676 N ILE A 49 1.068 6.346 7.932 1.00 3.21 N ATOM 677 CA ILE A 49 2.160 5.949 8.813 1.00 40.24 C ATOM 678 C ILE A 49 1.956 6.495 10.222 1.00 41.33 C ATOM 679 O ILE A 49 1.955 5.743 11.196 1.00 41.23 O ATOM 680 CB ILE A 49 3.520 6.435 8.278 1.00 50.24 C ATOM 681 CG1 ILE A 49 3.768 5.881 6.873 1.00 33.11 C ATOM 682 CG2 ILE A 49 4.639 6.021 9.221 1.00 1.13 C ATOM 683 CD1 ILE A 49 4.947 6.518 6.171 1.00 32.35 C ATOM 0 H ILE A 49 1.362 6.850 7.095 1.00 3.21 H new ATOM 0 HA ILE A 49 2.160 4.859 8.845 1.00 40.24 H new ATOM 0 HB ILE A 49 3.503 7.523 8.221 1.00 50.24 H new ATOM 0 HG12 ILE A 49 3.933 4.806 6.939 1.00 33.11 H new ATOM 0 HG13 ILE A 49 2.873 6.030 6.269 1.00 33.11 H new ATOM 0 HG21 ILE A 49 5.594 6.372 8.829 1.00 1.13 H new ATOM 0 HG22 ILE A 49 4.467 6.459 10.204 1.00 1.13 H new ATOM 0 HG23 ILE A 49 4.659 4.935 9.307 1.00 1.13 H new ATOM 0 HD11 ILE A 49 5.063 6.077 5.181 1.00 32.35 H new ATOM 0 HD12 ILE A 49 4.776 7.590 6.073 1.00 32.35 H new ATOM 0 HD13 ILE A 49 5.853 6.347 6.753 1.00 32.35 H new ATOM 695 N ALA A 50 1.782 7.809 10.322 1.00 40.13 N ATOM 696 CA ALA A 50 1.573 8.456 11.611 1.00 20.11 C ATOM 697 C ALA A 50 0.260 8.007 12.244 1.00 3.21 C ATOM 698 O ALA A 50 0.091 8.073 13.462 1.00 65.01 O ATOM 699 CB ALA A 50 1.594 9.969 11.452 1.00 25.01 C ATOM 0 H ALA A 50 1.782 8.446 9.525 1.00 40.13 H new ATOM 0 HA ALA A 50 2.386 8.160 12.274 1.00 20.11 H new ATOM 0 HB1 ALA A 50 1.437 10.439 12.423 1.00 25.01 H new ATOM 0 HB2 ALA A 50 2.559 10.279 11.051 1.00 25.01 H new ATOM 0 HB3 ALA A 50 0.802 10.274 10.768 1.00 25.01 H new ATOM 705 N LYS A 51 -0.668 7.551 11.410 1.00 40.32 N ATOM 706 CA LYS A 51 -1.967 7.091 11.887 1.00 65.31 C ATOM 707 C LYS A 51 -1.857 5.701 12.506 1.00 70.23 C ATOM 708 O LYS A 51 -2.443 5.431 13.553 1.00 35.24 O ATOM 709 CB LYS A 51 -2.977 7.071 10.738 1.00 33.01 C ATOM 710 CG LYS A 51 -3.302 8.450 10.190 1.00 63.34 C ATOM 711 CD LYS A 51 -4.460 9.089 10.937 1.00 21.12 C ATOM 712 CE LYS A 51 -3.976 9.887 12.138 1.00 25.11 C ATOM 713 NZ LYS A 51 -4.981 10.894 12.577 1.00 42.12 N ATOM 0 H LYS A 51 -0.545 7.490 10.399 1.00 40.32 H new ATOM 0 HA LYS A 51 -2.312 7.785 12.653 1.00 65.31 H new ATOM 0 HB2 LYS A 51 -2.585 6.452 9.931 1.00 33.01 H new ATOM 0 HB3 LYS A 51 -3.898 6.600 11.083 1.00 33.01 H new ATOM 0 HG2 LYS A 51 -2.422 9.089 10.266 1.00 63.34 H new ATOM 0 HG3 LYS A 51 -3.549 8.373 9.131 1.00 63.34 H new ATOM 0 HD2 LYS A 51 -5.012 9.743 10.263 1.00 21.12 H new ATOM 0 HD3 LYS A 51 -5.152 8.315 11.268 1.00 21.12 H new ATOM 0 HE2 LYS A 51 -3.759 9.207 12.962 1.00 25.11 H new ATOM 0 HE3 LYS A 51 -3.043 10.391 11.887 1.00 25.11 H new ATOM 0 HZ1 LYS A 51 -4.613 11.417 13.397 1.00 42.12 H new ATOM 0 HZ2 LYS A 51 -5.169 11.558 11.799 1.00 42.12 H new ATOM 0 HZ3 LYS A 51 -5.863 10.411 12.841 1.00 42.12 H new ATOM 727 N GLN A 52 -1.102 4.824 11.851 1.00 1.53 N ATOM 728 CA GLN A 52 -0.916 3.463 12.339 1.00 62.01 C ATOM 729 C GLN A 52 0.555 3.185 12.629 1.00 4.13 C ATOM 730 O GLN A 52 0.959 3.070 13.786 1.00 63.24 O ATOM 731 CB GLN A 52 -1.445 2.456 11.317 1.00 72.24 C ATOM 732 CG GLN A 52 -2.960 2.331 11.313 1.00 13.44 C ATOM 733 CD GLN A 52 -3.520 1.979 12.678 1.00 42.43 C ATOM 734 OE1 GLN A 52 -3.060 1.039 13.327 1.00 45.45 O ATOM 735 NE2 GLN A 52 -4.518 2.734 13.121 1.00 54.00 N ATOM 0 H GLN A 52 -0.610 5.032 10.982 1.00 1.53 H new ATOM 0 HA GLN A 52 -1.477 3.357 13.268 1.00 62.01 H new ATOM 0 HB2 GLN A 52 -1.111 2.751 10.322 1.00 72.24 H new ATOM 0 HB3 GLN A 52 -1.009 1.479 11.523 1.00 72.24 H new ATOM 0 HG2 GLN A 52 -3.397 3.271 10.976 1.00 13.44 H new ATOM 0 HG3 GLN A 52 -3.256 1.566 10.595 1.00 13.44 H new ATOM 0 HE21 GLN A 52 -4.868 3.503 12.550 1.00 54.00 H new ATOM 0 HE22 GLN A 52 -4.935 2.545 14.033 1.00 54.00 H new ATOM 744 N GLY A 53 1.353 3.078 11.571 1.00 52.05 N ATOM 745 CA GLY A 53 2.770 2.814 11.733 1.00 24.22 C ATOM 746 C GLY A 53 3.458 2.506 10.418 1.00 54.03 C ATOM 747 O GLY A 53 2.817 2.061 9.465 1.00 62.12 O ATOM 0 H GLY A 53 1.043 3.170 10.604 1.00 52.05 H new ATOM 0 HA2 GLY A 53 3.247 3.679 12.195 1.00 24.22 H new ATOM 0 HA3 GLY A 53 2.904 1.974 12.415 1.00 24.22 H new ATOM 751 N ILE A 54 4.764 2.745 10.364 1.00 35.21 N ATOM 752 CA ILE A 54 5.537 2.491 9.155 1.00 21.41 C ATOM 753 C ILE A 54 5.307 1.073 8.643 1.00 74.10 C ATOM 754 O ILE A 54 5.293 0.831 7.436 1.00 52.32 O ATOM 755 CB ILE A 54 7.044 2.698 9.397 1.00 51.42 C ATOM 756 CG1 ILE A 54 7.499 1.911 10.627 1.00 14.04 C ATOM 757 CG2 ILE A 54 7.354 4.178 9.564 1.00 44.43 C ATOM 758 CD1 ILE A 54 8.977 2.047 10.920 1.00 75.04 C ATOM 0 H ILE A 54 5.309 3.114 11.143 1.00 35.21 H new ATOM 0 HA ILE A 54 5.195 3.205 8.406 1.00 21.41 H new ATOM 0 HB ILE A 54 7.591 2.327 8.530 1.00 51.42 H new ATOM 0 HG12 ILE A 54 6.932 2.249 11.495 1.00 14.04 H new ATOM 0 HG13 ILE A 54 7.261 0.857 10.482 1.00 14.04 H new ATOM 0 HG21 ILE A 54 8.423 4.309 9.734 1.00 44.43 H new ATOM 0 HG22 ILE A 54 7.062 4.715 8.662 1.00 44.43 H new ATOM 0 HG23 ILE A 54 6.800 4.572 10.416 1.00 44.43 H new ATOM 0 HD11 ILE A 54 9.228 1.463 11.805 1.00 75.04 H new ATOM 0 HD12 ILE A 54 9.552 1.681 10.069 1.00 75.04 H new ATOM 0 HD13 ILE A 54 9.218 3.095 11.097 1.00 75.04 H new ATOM 770 N LYS A 55 5.124 0.138 9.569 1.00 70.31 N ATOM 771 CA LYS A 55 4.890 -1.257 9.213 1.00 44.11 C ATOM 772 C LYS A 55 3.708 -1.384 8.257 1.00 3.22 C ATOM 773 O LYS A 55 3.837 -1.934 7.163 1.00 21.14 O ATOM 774 CB LYS A 55 4.634 -2.090 10.471 1.00 44.20 C ATOM 775 CG LYS A 55 4.046 -3.460 10.184 1.00 62.43 C ATOM 776 CD LYS A 55 3.836 -4.256 11.461 1.00 23.02 C ATOM 777 CE LYS A 55 5.074 -5.062 11.825 1.00 35.33 C ATOM 778 NZ LYS A 55 4.834 -5.944 13.001 1.00 25.41 N ATOM 0 H LYS A 55 5.133 0.321 10.572 1.00 70.31 H new ATOM 0 HA LYS A 55 5.782 -1.632 8.712 1.00 44.11 H new ATOM 0 HB2 LYS A 55 5.572 -2.213 11.012 1.00 44.20 H new ATOM 0 HB3 LYS A 55 3.957 -1.543 11.127 1.00 44.20 H new ATOM 0 HG2 LYS A 55 3.095 -3.347 9.664 1.00 62.43 H new ATOM 0 HG3 LYS A 55 4.710 -4.009 9.517 1.00 62.43 H new ATOM 0 HD2 LYS A 55 3.589 -3.577 12.278 1.00 23.02 H new ATOM 0 HD3 LYS A 55 2.987 -4.928 11.337 1.00 23.02 H new ATOM 0 HE2 LYS A 55 5.377 -5.669 10.971 1.00 35.33 H new ATOM 0 HE3 LYS A 55 5.899 -4.383 12.042 1.00 35.33 H new ATOM 0 HZ1 LYS A 55 5.700 -6.477 13.218 1.00 25.41 H new ATOM 0 HZ2 LYS A 55 4.570 -5.363 13.822 1.00 25.41 H new ATOM 0 HZ3 LYS A 55 4.064 -6.609 12.785 1.00 25.41 H new ATOM 792 N LYS A 56 2.557 -0.870 8.676 1.00 32.12 N ATOM 793 CA LYS A 56 1.352 -0.923 7.857 1.00 13.11 C ATOM 794 C LYS A 56 1.580 -0.246 6.509 1.00 12.14 C ATOM 795 O LYS A 56 0.936 -0.585 5.517 1.00 64.51 O ATOM 796 CB LYS A 56 0.185 -0.252 8.586 1.00 61.32 C ATOM 797 CG LYS A 56 -0.542 -1.175 9.548 1.00 20.15 C ATOM 798 CD LYS A 56 0.222 -1.335 10.852 1.00 11.33 C ATOM 799 CE LYS A 56 -0.489 -2.287 11.802 1.00 65.35 C ATOM 800 NZ LYS A 56 -0.353 -3.706 11.369 1.00 45.34 N ATOM 0 H LYS A 56 2.433 -0.412 9.579 1.00 32.12 H new ATOM 0 HA LYS A 56 1.108 -1.971 7.681 1.00 13.11 H new ATOM 0 HB2 LYS A 56 0.559 0.611 9.137 1.00 61.32 H new ATOM 0 HB3 LYS A 56 -0.525 0.124 7.849 1.00 61.32 H new ATOM 0 HG2 LYS A 56 -1.536 -0.778 9.754 1.00 20.15 H new ATOM 0 HG3 LYS A 56 -0.679 -2.151 9.083 1.00 20.15 H new ATOM 0 HD2 LYS A 56 1.225 -1.709 10.644 1.00 11.33 H new ATOM 0 HD3 LYS A 56 0.337 -0.362 11.329 1.00 11.33 H new ATOM 0 HE2 LYS A 56 -0.079 -2.172 12.805 1.00 65.35 H new ATOM 0 HE3 LYS A 56 -1.545 -2.024 11.857 1.00 65.35 H new ATOM 0 HZ1 LYS A 56 -0.807 -4.327 12.068 1.00 45.34 H new ATOM 0 HZ2 LYS A 56 -0.812 -3.832 10.444 1.00 45.34 H new ATOM 0 HZ3 LYS A 56 0.655 -3.950 11.292 1.00 45.34 H new ATOM 814 N ALA A 57 2.500 0.712 6.482 1.00 45.21 N ATOM 815 CA ALA A 57 2.816 1.434 5.255 1.00 35.13 C ATOM 816 C ALA A 57 3.321 0.485 4.174 1.00 32.42 C ATOM 817 O ALA A 57 2.947 0.603 3.007 1.00 51.21 O ATOM 818 CB ALA A 57 3.846 2.519 5.531 1.00 32.13 C ATOM 0 H ALA A 57 3.040 1.007 7.296 1.00 45.21 H new ATOM 0 HA ALA A 57 1.901 1.902 4.892 1.00 35.13 H new ATOM 0 HB1 ALA A 57 4.072 3.050 4.606 1.00 32.13 H new ATOM 0 HB2 ALA A 57 3.448 3.221 6.264 1.00 32.13 H new ATOM 0 HB3 ALA A 57 4.757 2.065 5.921 1.00 32.13 H new ATOM 824 N ILE A 58 4.172 -0.456 4.570 1.00 41.32 N ATOM 825 CA ILE A 58 4.728 -1.425 3.634 1.00 73.22 C ATOM 826 C ILE A 58 3.623 -2.204 2.928 1.00 54.30 C ATOM 827 O ILE A 58 3.509 -2.166 1.703 1.00 11.52 O ATOM 828 CB ILE A 58 5.667 -2.418 4.343 1.00 21.22 C ATOM 829 CG1 ILE A 58 6.798 -1.668 5.051 1.00 74.14 C ATOM 830 CG2 ILE A 58 6.231 -3.419 3.346 1.00 41.24 C ATOM 831 CD1 ILE A 58 7.697 -2.565 5.871 1.00 22.34 C ATOM 0 H ILE A 58 4.491 -0.568 5.532 1.00 41.32 H new ATOM 0 HA ILE A 58 5.299 -0.860 2.897 1.00 73.22 H new ATOM 0 HB ILE A 58 5.094 -2.965 5.092 1.00 21.22 H new ATOM 0 HG12 ILE A 58 7.400 -1.147 4.306 1.00 74.14 H new ATOM 0 HG13 ILE A 58 6.367 -0.907 5.701 1.00 74.14 H new ATOM 0 HG21 ILE A 58 6.893 -4.114 3.863 1.00 41.24 H new ATOM 0 HG22 ILE A 58 5.413 -3.972 2.884 1.00 41.24 H new ATOM 0 HG23 ILE A 58 6.791 -2.889 2.576 1.00 41.24 H new ATOM 0 HD11 ILE A 58 8.475 -1.966 6.344 1.00 22.34 H new ATOM 0 HD12 ILE A 58 7.108 -3.066 6.639 1.00 22.34 H new ATOM 0 HD13 ILE A 58 8.157 -3.310 5.222 1.00 22.34 H new ATOM 843 N GLN A 59 2.810 -2.907 3.710 1.00 61.43 N ATOM 844 CA GLN A 59 1.713 -3.694 3.159 1.00 71.00 C ATOM 845 C GLN A 59 0.790 -2.823 2.313 1.00 34.23 C ATOM 846 O GLN A 59 0.129 -3.310 1.395 1.00 52.03 O ATOM 847 CB GLN A 59 0.918 -4.358 4.285 1.00 52.52 C ATOM 848 CG GLN A 59 1.727 -5.358 5.093 1.00 25.44 C ATOM 849 CD GLN A 59 1.891 -6.687 4.382 1.00 31.12 C ATOM 850 OE1 GLN A 59 0.915 -7.286 3.928 1.00 2.34 O ATOM 851 NE2 GLN A 59 3.129 -7.156 4.281 1.00 60.41 N ATOM 0 H GLN A 59 2.890 -2.948 4.726 1.00 61.43 H new ATOM 0 HA GLN A 59 2.139 -4.468 2.520 1.00 71.00 H new ATOM 0 HB2 GLN A 59 0.538 -3.586 4.954 1.00 52.52 H new ATOM 0 HB3 GLN A 59 0.052 -4.864 3.858 1.00 52.52 H new ATOM 0 HG2 GLN A 59 2.711 -4.939 5.303 1.00 25.44 H new ATOM 0 HG3 GLN A 59 1.239 -5.522 6.054 1.00 25.44 H new ATOM 0 HE21 GLN A 59 3.908 -6.627 4.672 1.00 60.41 H new ATOM 0 HE22 GLN A 59 3.301 -8.046 3.813 1.00 60.41 H new ATOM 860 N LEU A 60 0.748 -1.534 2.629 1.00 40.50 N ATOM 861 CA LEU A 60 -0.095 -0.594 1.898 1.00 11.31 C ATOM 862 C LEU A 60 0.377 -0.447 0.455 1.00 1.02 C ATOM 863 O LEU A 60 -0.429 -0.444 -0.475 1.00 41.31 O ATOM 864 CB LEU A 60 -0.090 0.771 2.590 1.00 70.33 C ATOM 865 CG LEU A 60 -1.424 1.229 3.179 1.00 12.33 C ATOM 866 CD1 LEU A 60 -1.294 2.622 3.775 1.00 2.43 C ATOM 867 CD2 LEU A 60 -2.514 1.201 2.118 1.00 52.32 C ATOM 0 H LEU A 60 1.288 -1.115 3.387 1.00 40.50 H new ATOM 0 HA LEU A 60 -1.112 -0.987 1.890 1.00 11.31 H new ATOM 0 HB2 LEU A 60 0.649 0.747 3.391 1.00 70.33 H new ATOM 0 HB3 LEU A 60 0.243 1.519 1.871 1.00 70.33 H new ATOM 0 HG LEU A 60 -1.703 0.539 3.976 1.00 12.33 H new ATOM 0 HD11 LEU A 60 -2.253 2.931 4.190 1.00 2.43 H new ATOM 0 HD12 LEU A 60 -0.544 2.611 4.566 1.00 2.43 H new ATOM 0 HD13 LEU A 60 -0.991 3.324 2.998 1.00 2.43 H new ATOM 0 HD21 LEU A 60 -3.456 1.530 2.556 1.00 52.32 H new ATOM 0 HD22 LEU A 60 -2.242 1.867 1.299 1.00 52.32 H new ATOM 0 HD23 LEU A 60 -2.626 0.186 1.738 1.00 52.32 H new