USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 495 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 Single : A 9 THR OG1 : rot -51:sc= 0.661 USER MOD Single : A 11 THR OG1 : rot -150:sc= -0.564 USER MOD Single : A 15 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 35 THR OG1 : rot 76:sc= 0.729 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 48 ASN : amide:sc= 0.476 K(o=0.48,f=-2.8!) USER MOD Single : A 50 SER OG : rot 180:sc= -1.14 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -43:sc= 0.147 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 40.287 -1.189 -31.120 1.00 70.43 N ATOM 2 CA GLU A 8 38.989 -1.451 -30.509 1.00 70.55 C ATOM 3 C GLU A 8 37.876 -1.401 -31.553 1.00 42.22 C ATOM 4 O GLU A 8 38.110 -1.048 -32.710 1.00 20.42 O ATOM 5 CB GLU A 8 38.708 -0.436 -29.400 1.00 73.14 C ATOM 6 CG GLU A 8 39.613 -0.592 -28.189 1.00 51.24 C ATOM 7 CD GLU A 8 38.959 -1.377 -27.068 1.00 51.43 C ATOM 8 OE1 GLU A 8 38.534 -2.524 -27.318 1.00 51.23 O ATOM 9 OE2 GLU A 8 38.872 -0.843 -25.943 1.00 72.23 O ATOM 0 HA GLU A 8 39.015 -2.452 -30.078 1.00 70.55 H new ATOM 0 HB2 GLU A 8 38.824 0.570 -29.802 1.00 73.14 H new ATOM 0 HB3 GLU A 8 37.670 -0.535 -29.083 1.00 73.14 H new ATOM 0 HG2 GLU A 8 40.533 -1.094 -28.490 1.00 51.24 H new ATOM 0 HG3 GLU A 8 39.894 0.395 -27.821 1.00 51.24 H new ATOM 16 N THR A 9 36.665 -1.758 -31.137 1.00 53.40 N ATOM 17 CA THR A 9 35.517 -1.755 -32.034 1.00 33.10 C ATOM 18 C THR A 9 34.738 -0.449 -31.927 1.00 74.24 C ATOM 19 O THR A 9 33.529 -0.416 -32.152 1.00 43.41 O ATOM 20 CB THR A 9 34.568 -2.931 -31.736 1.00 32.33 C ATOM 21 OG1 THR A 9 33.585 -3.042 -32.770 1.00 25.21 O ATOM 22 CG2 THR A 9 33.879 -2.743 -30.393 1.00 35.34 C ATOM 0 H THR A 9 36.454 -2.053 -30.184 1.00 53.40 H new ATOM 0 HA THR A 9 35.907 -1.860 -33.046 1.00 33.10 H new ATOM 0 HB THR A 9 35.160 -3.846 -31.699 1.00 32.33 H new ATOM 0 HG1 THR A 9 33.158 -2.171 -32.911 1.00 25.21 H new ATOM 0 HG21 THR A 9 33.214 -3.586 -30.204 1.00 35.34 H new ATOM 0 HG22 THR A 9 34.629 -2.689 -29.604 1.00 35.34 H new ATOM 0 HG23 THR A 9 33.300 -1.820 -30.407 1.00 35.34 H new ATOM 30 N GLY A 10 35.439 0.627 -31.581 1.00 0.30 N ATOM 31 CA GLY A 10 34.796 1.921 -31.451 1.00 51.13 C ATOM 32 C GLY A 10 34.945 2.505 -30.061 1.00 35.30 C ATOM 33 O GLY A 10 34.172 3.375 -29.657 1.00 72.40 O ATOM 0 H GLY A 10 36.441 0.625 -31.389 1.00 0.30 H new ATOM 0 HA2 GLY A 10 35.223 2.610 -32.179 1.00 51.13 H new ATOM 0 HA3 GLY A 10 33.737 1.822 -31.689 1.00 51.13 H new ATOM 37 N THR A 11 35.940 2.025 -29.322 1.00 35.25 N ATOM 38 CA THR A 11 36.186 2.502 -27.967 1.00 11.42 C ATOM 39 C THR A 11 36.977 3.806 -27.978 1.00 70.43 C ATOM 40 O THR A 11 38.178 3.813 -28.246 1.00 45.42 O ATOM 41 CB THR A 11 36.953 1.459 -27.134 1.00 31.45 C ATOM 42 OG1 THR A 11 36.355 0.167 -27.295 1.00 44.54 O ATOM 43 CG2 THR A 11 36.958 1.839 -25.661 1.00 51.32 C ATOM 0 H THR A 11 36.589 1.305 -29.640 1.00 35.25 H new ATOM 0 HA THR A 11 35.211 2.674 -27.512 1.00 11.42 H new ATOM 0 HB THR A 11 37.983 1.430 -27.489 1.00 31.45 H new ATOM 0 HG1 THR A 11 36.489 -0.359 -26.479 1.00 44.54 H new ATOM 0 HG21 THR A 11 37.506 1.087 -25.093 1.00 51.32 H new ATOM 0 HG22 THR A 11 37.439 2.809 -25.537 1.00 51.32 H new ATOM 0 HG23 THR A 11 35.932 1.894 -25.296 1.00 51.32 H new ATOM 51 N LEU A 12 36.295 4.908 -27.684 1.00 51.10 N ATOM 52 CA LEU A 12 36.934 6.219 -27.659 1.00 62.23 C ATOM 53 C LEU A 12 36.900 6.815 -26.256 1.00 74.43 C ATOM 54 O LEU A 12 37.066 8.022 -26.080 1.00 15.55 O ATOM 55 CB LEU A 12 36.243 7.164 -28.644 1.00 73.50 C ATOM 56 CG LEU A 12 35.688 6.520 -29.915 1.00 70.14 C ATOM 57 CD1 LEU A 12 34.821 7.508 -30.680 1.00 13.35 C ATOM 58 CD2 LEU A 12 36.822 6.011 -30.794 1.00 71.33 C ATOM 0 H LEU A 12 35.300 4.919 -27.460 1.00 51.10 H new ATOM 0 HA LEU A 12 37.976 6.094 -27.955 1.00 62.23 H new ATOM 0 HB2 LEU A 12 35.424 7.662 -28.125 1.00 73.50 H new ATOM 0 HB3 LEU A 12 36.954 7.938 -28.933 1.00 73.50 H new ATOM 0 HG LEU A 12 35.068 5.671 -29.628 1.00 70.14 H new ATOM 0 HD11 LEU A 12 34.435 7.032 -31.581 1.00 13.35 H new ATOM 0 HD12 LEU A 12 33.988 7.824 -30.052 1.00 13.35 H new ATOM 0 HD13 LEU A 12 35.417 8.378 -30.956 1.00 13.35 H new ATOM 0 HD21 LEU A 12 36.409 5.556 -31.694 1.00 71.33 H new ATOM 0 HD22 LEU A 12 37.468 6.843 -31.072 1.00 71.33 H new ATOM 0 HD23 LEU A 12 37.402 5.269 -30.246 1.00 71.33 H new ATOM 70 N ILE A 13 36.686 5.961 -25.261 1.00 74.32 N ATOM 71 CA ILE A 13 36.633 6.403 -23.873 1.00 12.03 C ATOM 72 C ILE A 13 38.024 6.417 -23.248 1.00 44.51 C ATOM 73 O ILE A 13 38.272 7.127 -22.273 1.00 71.11 O ATOM 74 CB ILE A 13 35.712 5.502 -23.029 1.00 31.13 C ATOM 75 CG1 ILE A 13 35.590 6.051 -21.607 1.00 34.14 C ATOM 76 CG2 ILE A 13 36.242 4.076 -23.009 1.00 72.24 C ATOM 77 CD1 ILE A 13 36.577 5.442 -20.636 1.00 21.45 C ATOM 0 H ILE A 13 36.546 4.959 -25.390 1.00 74.32 H new ATOM 0 HA ILE A 13 36.229 7.415 -23.879 1.00 12.03 H new ATOM 0 HB ILE A 13 34.720 5.494 -23.481 1.00 31.13 H new ATOM 0 HG12 ILE A 13 35.735 7.131 -21.630 1.00 34.14 H new ATOM 0 HG13 ILE A 13 34.578 5.873 -21.243 1.00 34.14 H new ATOM 0 HG21 ILE A 13 35.581 3.451 -22.409 1.00 72.24 H new ATOM 0 HG22 ILE A 13 36.283 3.689 -24.027 1.00 72.24 H new ATOM 0 HG23 ILE A 13 37.243 4.066 -22.577 1.00 72.24 H new ATOM 0 HD11 ILE A 13 36.432 5.879 -19.648 1.00 21.45 H new ATOM 0 HD12 ILE A 13 36.418 4.365 -20.583 1.00 21.45 H new ATOM 0 HD13 ILE A 13 37.593 5.643 -20.976 1.00 21.45 H new ATOM 89 N VAL A 14 38.931 5.628 -23.817 1.00 14.01 N ATOM 90 CA VAL A 14 40.299 5.552 -23.318 1.00 70.35 C ATOM 91 C VAL A 14 41.103 6.780 -23.728 1.00 54.31 C ATOM 92 O VAL A 14 41.886 7.312 -22.942 1.00 23.13 O ATOM 93 CB VAL A 14 41.013 4.288 -23.832 1.00 14.24 C ATOM 94 CG1 VAL A 14 42.416 4.193 -23.249 1.00 60.44 C ATOM 95 CG2 VAL A 14 40.203 3.045 -23.498 1.00 62.44 C ATOM 0 H VAL A 14 38.743 5.033 -24.624 1.00 14.01 H new ATOM 0 HA VAL A 14 40.238 5.509 -22.231 1.00 70.35 H new ATOM 0 HB VAL A 14 41.099 4.356 -24.916 1.00 14.24 H new ATOM 0 HG11 VAL A 14 42.905 3.294 -23.623 1.00 60.44 H new ATOM 0 HG12 VAL A 14 42.993 5.070 -23.544 1.00 60.44 H new ATOM 0 HG13 VAL A 14 42.356 4.148 -22.162 1.00 60.44 H new ATOM 0 HG21 VAL A 14 40.723 2.162 -23.869 1.00 62.44 H new ATOM 0 HG22 VAL A 14 40.083 2.969 -22.417 1.00 62.44 H new ATOM 0 HG23 VAL A 14 39.222 3.113 -23.968 1.00 62.44 H new ATOM 105 N ASN A 15 40.902 7.226 -24.964 1.00 13.45 N ATOM 106 CA ASN A 15 41.610 8.393 -25.479 1.00 25.12 C ATOM 107 C ASN A 15 40.892 9.681 -25.087 1.00 5.33 C ATOM 108 O ASN A 15 41.471 10.766 -25.139 1.00 30.25 O ATOM 109 CB ASN A 15 41.734 8.307 -27.002 1.00 41.44 C ATOM 110 CG ASN A 15 40.488 8.799 -27.712 1.00 44.20 C ATOM 111 OD1 ASN A 15 40.237 10.002 -27.788 1.00 10.21 O ATOM 112 ND2 ASN A 15 39.699 7.868 -28.236 1.00 13.02 N ATOM 0 H ASN A 15 40.256 6.798 -25.627 1.00 13.45 H new ATOM 0 HA ASN A 15 42.607 8.407 -25.040 1.00 25.12 H new ATOM 0 HB2 ASN A 15 42.591 8.896 -27.328 1.00 41.44 H new ATOM 0 HB3 ASN A 15 41.929 7.274 -27.290 1.00 41.44 H new ATOM 0 HD21 ASN A 15 38.846 8.139 -28.725 1.00 13.02 H new ATOM 0 HD22 ASN A 15 39.946 6.882 -28.149 1.00 13.02 H new ATOM 119 N SER A 16 39.629 9.552 -24.695 1.00 30.44 N ATOM 120 CA SER A 16 38.831 10.706 -24.297 1.00 31.20 C ATOM 121 C SER A 16 39.048 11.034 -22.822 1.00 21.33 C ATOM 122 O SER A 16 39.287 12.185 -22.459 1.00 0.33 O ATOM 123 CB SER A 16 37.347 10.442 -24.559 1.00 25.54 C ATOM 124 OG SER A 16 36.536 11.414 -23.925 1.00 73.11 O ATOM 0 H SER A 16 39.136 8.660 -24.644 1.00 30.44 H new ATOM 0 HA SER A 16 39.151 11.561 -24.893 1.00 31.20 H new ATOM 0 HB2 SER A 16 37.157 10.450 -25.632 1.00 25.54 H new ATOM 0 HB3 SER A 16 37.081 9.449 -24.195 1.00 25.54 H new ATOM 0 HG SER A 16 35.593 11.223 -24.109 1.00 73.11 H new ATOM 130 N VAL A 17 38.961 10.012 -21.976 1.00 25.03 N ATOM 131 CA VAL A 17 39.149 10.189 -20.542 1.00 14.11 C ATOM 132 C VAL A 17 40.583 10.592 -20.220 1.00 2.33 C ATOM 133 O VAL A 17 40.838 11.298 -19.243 1.00 41.34 O ATOM 134 CB VAL A 17 38.803 8.903 -19.767 1.00 1.11 C ATOM 135 CG1 VAL A 17 39.867 7.840 -19.996 1.00 13.34 C ATOM 136 CG2 VAL A 17 38.645 9.202 -18.284 1.00 21.24 C ATOM 0 H VAL A 17 38.761 9.053 -22.260 1.00 25.03 H new ATOM 0 HA VAL A 17 38.473 10.985 -20.231 1.00 14.11 H new ATOM 0 HB VAL A 17 37.854 8.518 -20.139 1.00 1.11 H new ATOM 0 HG11 VAL A 17 39.606 6.939 -19.441 1.00 13.34 H new ATOM 0 HG12 VAL A 17 39.926 7.607 -21.059 1.00 13.34 H new ATOM 0 HG13 VAL A 17 40.832 8.211 -19.652 1.00 13.34 H new ATOM 0 HG21 VAL A 17 38.401 8.283 -17.752 1.00 21.24 H new ATOM 0 HG22 VAL A 17 39.577 9.611 -17.894 1.00 21.24 H new ATOM 0 HG23 VAL A 17 37.844 9.927 -18.142 1.00 21.24 H new ATOM 146 N LEU A 18 41.519 10.141 -21.049 1.00 71.20 N ATOM 147 CA LEU A 18 42.930 10.455 -20.853 1.00 3.10 C ATOM 148 C LEU A 18 43.235 11.885 -21.290 1.00 74.54 C ATOM 149 O LEU A 18 43.999 12.595 -20.635 1.00 63.54 O ATOM 150 CB LEU A 18 43.804 9.474 -21.636 1.00 40.00 C ATOM 151 CG LEU A 18 45.246 9.325 -21.151 1.00 34.13 C ATOM 152 CD1 LEU A 18 45.786 7.945 -21.495 1.00 61.43 C ATOM 153 CD2 LEU A 18 46.127 10.409 -21.754 1.00 2.51 C ATOM 0 H LEU A 18 41.326 9.557 -21.863 1.00 71.20 H new ATOM 0 HA LEU A 18 43.153 10.363 -19.790 1.00 3.10 H new ATOM 0 HB2 LEU A 18 43.329 8.493 -21.608 1.00 40.00 H new ATOM 0 HB3 LEU A 18 43.823 9.789 -22.679 1.00 40.00 H new ATOM 0 HG LEU A 18 45.257 9.437 -20.067 1.00 34.13 H new ATOM 0 HD11 LEU A 18 46.814 7.858 -21.142 1.00 61.43 H new ATOM 0 HD12 LEU A 18 45.171 7.184 -21.015 1.00 61.43 H new ATOM 0 HD13 LEU A 18 45.760 7.803 -22.575 1.00 61.43 H new ATOM 0 HD21 LEU A 18 47.150 10.287 -21.397 1.00 2.51 H new ATOM 0 HD22 LEU A 18 46.110 10.329 -22.841 1.00 2.51 H new ATOM 0 HD23 LEU A 18 45.754 11.389 -21.456 1.00 2.51 H new ATOM 165 N LEU A 19 42.631 12.301 -22.398 1.00 74.10 N ATOM 166 CA LEU A 19 42.835 13.648 -22.921 1.00 33.14 C ATOM 167 C LEU A 19 42.045 14.672 -22.112 1.00 24.44 C ATOM 168 O LEU A 19 42.496 15.799 -21.908 1.00 40.12 O ATOM 169 CB LEU A 19 42.422 13.713 -24.392 1.00 15.11 C ATOM 170 CG LEU A 19 43.153 14.745 -25.249 1.00 43.42 C ATOM 171 CD1 LEU A 19 42.859 16.154 -24.756 1.00 52.03 C ATOM 172 CD2 LEU A 19 44.652 14.479 -25.243 1.00 51.01 C ATOM 0 H LEU A 19 41.996 11.725 -22.951 1.00 74.10 H new ATOM 0 HA LEU A 19 43.895 13.887 -22.837 1.00 33.14 H new ATOM 0 HB2 LEU A 19 42.574 12.729 -24.835 1.00 15.11 H new ATOM 0 HB3 LEU A 19 41.353 13.922 -24.440 1.00 15.11 H new ATOM 0 HG LEU A 19 42.792 14.658 -26.274 1.00 43.42 H new ATOM 0 HD11 LEU A 19 43.388 16.875 -25.379 1.00 52.03 H new ATOM 0 HD12 LEU A 19 41.787 16.343 -24.813 1.00 52.03 H new ATOM 0 HD13 LEU A 19 43.191 16.254 -23.723 1.00 52.03 H new ATOM 0 HD21 LEU A 19 45.156 15.224 -25.859 1.00 51.01 H new ATOM 0 HD22 LEU A 19 45.028 14.538 -24.222 1.00 51.01 H new ATOM 0 HD23 LEU A 19 44.847 13.485 -25.645 1.00 51.01 H new ATOM 184 N PHE A 20 40.864 14.271 -21.651 1.00 24.32 N ATOM 185 CA PHE A 20 40.011 15.153 -20.864 1.00 13.41 C ATOM 186 C PHE A 20 40.714 15.585 -19.580 1.00 24.30 C ATOM 187 O PHE A 20 40.532 16.708 -19.107 1.00 22.42 O ATOM 188 CB PHE A 20 38.692 14.455 -20.527 1.00 41.21 C ATOM 189 CG PHE A 20 37.631 15.390 -20.023 1.00 63.11 C ATOM 190 CD1 PHE A 20 37.749 15.990 -18.781 1.00 12.55 C ATOM 191 CD2 PHE A 20 36.513 15.670 -20.794 1.00 32.32 C ATOM 192 CE1 PHE A 20 36.774 16.851 -18.315 1.00 32.20 C ATOM 193 CE2 PHE A 20 35.534 16.530 -20.333 1.00 64.23 C ATOM 194 CZ PHE A 20 35.665 17.121 -19.092 1.00 5.50 C ATOM 0 H PHE A 20 40.477 13.341 -21.809 1.00 24.32 H new ATOM 0 HA PHE A 20 39.801 16.042 -21.460 1.00 13.41 H new ATOM 0 HB2 PHE A 20 38.323 13.945 -21.417 1.00 41.21 H new ATOM 0 HB3 PHE A 20 38.878 13.689 -19.774 1.00 41.21 H new ATOM 0 HD1 PHE A 20 38.614 15.782 -18.169 1.00 12.55 H new ATOM 0 HD2 PHE A 20 36.406 15.211 -21.766 1.00 32.32 H new ATOM 0 HE1 PHE A 20 36.879 17.312 -17.344 1.00 32.20 H new ATOM 0 HE2 PHE A 20 34.668 16.739 -20.943 1.00 64.23 H new ATOM 0 HZ PHE A 20 34.901 17.793 -18.730 1.00 5.50 H new ATOM 204 N LEU A 21 41.516 14.687 -19.021 1.00 24.54 N ATOM 205 CA LEU A 21 42.247 14.972 -17.791 1.00 41.51 C ATOM 206 C LEU A 21 43.387 15.952 -18.050 1.00 61.45 C ATOM 207 O LEU A 21 43.608 16.882 -17.274 1.00 63.23 O ATOM 208 CB LEU A 21 42.799 13.679 -17.189 1.00 64.54 C ATOM 209 CG LEU A 21 42.056 13.137 -15.967 1.00 55.21 C ATOM 210 CD1 LEU A 21 42.233 14.069 -14.779 1.00 52.11 C ATOM 211 CD2 LEU A 21 40.579 12.945 -16.282 1.00 22.11 C ATOM 0 H LEU A 21 41.677 13.754 -19.400 1.00 24.54 H new ATOM 0 HA LEU A 21 41.554 15.427 -17.084 1.00 41.51 H new ATOM 0 HB2 LEU A 21 42.794 12.911 -17.962 1.00 64.54 H new ATOM 0 HB3 LEU A 21 43.840 13.846 -16.912 1.00 64.54 H new ATOM 0 HG LEU A 21 42.480 12.167 -15.708 1.00 55.21 H new ATOM 0 HD11 LEU A 21 41.698 13.668 -13.919 1.00 52.11 H new ATOM 0 HD12 LEU A 21 43.293 14.155 -14.539 1.00 52.11 H new ATOM 0 HD13 LEU A 21 41.836 15.053 -15.026 1.00 52.11 H new ATOM 0 HD21 LEU A 21 40.066 12.559 -15.401 1.00 22.11 H new ATOM 0 HD22 LEU A 21 40.140 13.901 -16.567 1.00 22.11 H new ATOM 0 HD23 LEU A 21 40.471 12.237 -17.104 1.00 22.11 H new ATOM 223 N ALA A 22 44.106 15.738 -19.147 1.00 40.15 N ATOM 224 CA ALA A 22 45.220 16.606 -19.511 1.00 21.20 C ATOM 225 C ALA A 22 44.722 17.922 -20.099 1.00 22.32 C ATOM 226 O ALA A 22 45.459 18.906 -20.155 1.00 54.13 O ATOM 227 CB ALA A 22 46.138 15.899 -20.497 1.00 2.45 C ATOM 0 H ALA A 22 43.937 14.972 -19.799 1.00 40.15 H new ATOM 0 HA ALA A 22 45.782 16.833 -18.605 1.00 21.20 H new ATOM 0 HB1 ALA A 22 46.965 16.558 -20.761 1.00 2.45 H new ATOM 0 HB2 ALA A 22 46.529 14.989 -20.042 1.00 2.45 H new ATOM 0 HB3 ALA A 22 45.578 15.643 -21.396 1.00 2.45 H new ATOM 233 N PHE A 23 43.468 17.932 -20.537 1.00 31.51 N ATOM 234 CA PHE A 23 42.872 19.127 -21.123 1.00 74.00 C ATOM 235 C PHE A 23 42.385 20.081 -20.036 1.00 33.10 C ATOM 236 O PHE A 23 42.764 21.251 -20.005 1.00 44.31 O ATOM 237 CB PHE A 23 41.709 18.746 -22.041 1.00 75.51 C ATOM 238 CG PHE A 23 41.282 19.854 -22.960 1.00 1.24 C ATOM 239 CD1 PHE A 23 42.224 20.595 -23.657 1.00 14.22 C ATOM 240 CD2 PHE A 23 39.940 20.155 -23.129 1.00 34.25 C ATOM 241 CE1 PHE A 23 41.834 21.616 -24.502 1.00 44.00 C ATOM 242 CE2 PHE A 23 39.545 21.174 -23.974 1.00 13.40 C ATOM 243 CZ PHE A 23 40.493 21.905 -24.663 1.00 12.14 C ATOM 0 H PHE A 23 42.844 17.126 -20.497 1.00 31.51 H new ATOM 0 HA PHE A 23 43.638 19.633 -21.710 1.00 74.00 H new ATOM 0 HB2 PHE A 23 41.996 17.880 -22.638 1.00 75.51 H new ATOM 0 HB3 PHE A 23 40.858 18.444 -21.430 1.00 75.51 H new ATOM 0 HD1 PHE A 23 43.274 20.372 -23.538 1.00 14.22 H new ATOM 0 HD2 PHE A 23 39.194 19.586 -22.594 1.00 34.25 H new ATOM 0 HE1 PHE A 23 42.578 22.188 -25.037 1.00 44.00 H new ATOM 0 HE2 PHE A 23 38.496 21.399 -24.096 1.00 13.40 H new ATOM 0 HZ PHE A 23 40.186 22.701 -25.326 1.00 12.14 H new ATOM 253 N VAL A 24 41.542 19.570 -19.143 1.00 42.22 N ATOM 254 CA VAL A 24 41.003 20.375 -18.054 1.00 72.14 C ATOM 255 C VAL A 24 42.113 21.113 -17.315 1.00 53.14 C ATOM 256 O VAL A 24 41.994 22.303 -17.022 1.00 44.34 O ATOM 257 CB VAL A 24 40.221 19.508 -17.050 1.00 13.42 C ATOM 258 CG1 VAL A 24 41.075 18.345 -16.570 1.00 21.24 C ATOM 259 CG2 VAL A 24 39.745 20.350 -15.876 1.00 14.23 C ATOM 0 H VAL A 24 41.218 18.603 -19.153 1.00 42.22 H new ATOM 0 HA VAL A 24 40.324 21.101 -18.502 1.00 72.14 H new ATOM 0 HB VAL A 24 39.345 19.101 -17.554 1.00 13.42 H new ATOM 0 HG11 VAL A 24 40.506 17.744 -15.861 1.00 21.24 H new ATOM 0 HG12 VAL A 24 41.361 17.728 -17.422 1.00 21.24 H new ATOM 0 HG13 VAL A 24 41.971 18.729 -16.082 1.00 21.24 H new ATOM 0 HG21 VAL A 24 39.194 19.721 -15.177 1.00 14.23 H new ATOM 0 HG22 VAL A 24 40.605 20.788 -15.370 1.00 14.23 H new ATOM 0 HG23 VAL A 24 39.094 21.145 -16.239 1.00 14.23 H new ATOM 269 N VAL A 25 43.194 20.401 -17.016 1.00 22.44 N ATOM 270 CA VAL A 25 44.327 20.988 -16.312 1.00 52.11 C ATOM 271 C VAL A 25 44.938 22.132 -17.113 1.00 51.53 C ATOM 272 O VAL A 25 45.326 23.158 -16.553 1.00 33.02 O ATOM 273 CB VAL A 25 45.417 19.938 -16.027 1.00 33.41 C ATOM 274 CG1 VAL A 25 44.919 18.913 -15.018 1.00 14.35 C ATOM 275 CG2 VAL A 25 45.853 19.260 -17.317 1.00 35.13 C ATOM 0 H VAL A 25 43.309 19.415 -17.251 1.00 22.44 H new ATOM 0 HA VAL A 25 43.946 21.372 -15.366 1.00 52.11 H new ATOM 0 HB VAL A 25 46.282 20.444 -15.599 1.00 33.41 H new ATOM 0 HG11 VAL A 25 45.702 18.179 -14.829 1.00 14.35 H new ATOM 0 HG12 VAL A 25 44.660 19.416 -14.086 1.00 14.35 H new ATOM 0 HG13 VAL A 25 44.038 18.409 -15.416 1.00 14.35 H new ATOM 0 HG21 VAL A 25 46.624 18.521 -17.097 1.00 35.13 H new ATOM 0 HG22 VAL A 25 44.997 18.766 -17.776 1.00 35.13 H new ATOM 0 HG23 VAL A 25 46.252 20.007 -18.004 1.00 35.13 H new ATOM 285 N PHE A 26 45.020 21.951 -18.427 1.00 55.13 N ATOM 286 CA PHE A 26 45.582 22.968 -19.305 1.00 2.55 C ATOM 287 C PHE A 26 44.740 24.240 -19.278 1.00 71.31 C ATOM 288 O PHE A 26 45.271 25.351 -19.244 1.00 74.31 O ATOM 289 CB PHE A 26 45.680 22.439 -20.738 1.00 22.43 C ATOM 290 CG PHE A 26 47.076 22.066 -21.145 1.00 24.12 C ATOM 291 CD1 PHE A 26 48.117 22.971 -21.012 1.00 65.24 C ATOM 292 CD2 PHE A 26 47.349 20.809 -21.662 1.00 13.34 C ATOM 293 CE1 PHE A 26 49.403 22.630 -21.388 1.00 54.31 C ATOM 294 CE2 PHE A 26 48.633 20.463 -22.038 1.00 3.05 C ATOM 295 CZ PHE A 26 49.661 21.374 -21.900 1.00 14.54 C ATOM 0 H PHE A 26 44.704 21.108 -18.907 1.00 55.13 H new ATOM 0 HA PHE A 26 46.582 23.209 -18.944 1.00 2.55 H new ATOM 0 HB2 PHE A 26 45.035 21.566 -20.839 1.00 22.43 H new ATOM 0 HB3 PHE A 26 45.301 23.197 -21.423 1.00 22.43 H new ATOM 0 HD1 PHE A 26 47.921 23.954 -20.610 1.00 65.24 H new ATOM 0 HD2 PHE A 26 46.549 20.092 -21.772 1.00 13.34 H new ATOM 0 HE1 PHE A 26 50.205 23.345 -21.281 1.00 54.31 H new ATOM 0 HE2 PHE A 26 48.832 19.480 -22.440 1.00 3.05 H new ATOM 0 HZ PHE A 26 50.665 21.105 -22.192 1.00 14.54 H new ATOM 305 N LEU A 27 43.422 24.068 -19.292 1.00 1.10 N ATOM 306 CA LEU A 27 42.503 25.201 -19.269 1.00 61.31 C ATOM 307 C LEU A 27 42.542 25.907 -17.918 1.00 31.55 C ATOM 308 O LEU A 27 42.464 27.133 -17.843 1.00 54.31 O ATOM 309 CB LEU A 27 41.079 24.733 -19.572 1.00 74.11 C ATOM 310 CG LEU A 27 40.902 23.897 -20.840 1.00 74.53 C ATOM 311 CD1 LEU A 27 39.432 23.581 -21.070 1.00 41.22 C ATOM 312 CD2 LEU A 27 41.490 24.620 -22.042 1.00 71.33 C ATOM 0 H LEU A 27 42.966 23.156 -19.319 1.00 1.10 H new ATOM 0 HA LEU A 27 42.818 25.908 -20.036 1.00 61.31 H new ATOM 0 HB2 LEU A 27 40.722 24.150 -18.724 1.00 74.11 H new ATOM 0 HB3 LEU A 27 40.438 25.611 -19.648 1.00 74.11 H new ATOM 0 HG LEU A 27 41.438 22.957 -20.710 1.00 74.53 H new ATOM 0 HD11 LEU A 27 39.325 22.986 -21.977 1.00 41.22 H new ATOM 0 HD12 LEU A 27 39.043 23.021 -20.220 1.00 41.22 H new ATOM 0 HD13 LEU A 27 38.873 24.510 -21.178 1.00 41.22 H new ATOM 0 HD21 LEU A 27 41.355 24.010 -22.935 1.00 71.33 H new ATOM 0 HD22 LEU A 27 40.983 25.576 -22.175 1.00 71.33 H new ATOM 0 HD23 LEU A 27 42.554 24.793 -21.878 1.00 71.33 H new ATOM 324 N LEU A 28 42.666 25.125 -16.851 1.00 72.51 N ATOM 325 CA LEU A 28 42.719 25.674 -15.501 1.00 73.33 C ATOM 326 C LEU A 28 43.684 26.853 -15.430 1.00 12.02 C ATOM 327 O LEU A 28 43.321 27.940 -14.980 1.00 3.32 O ATOM 328 CB LEU A 28 43.141 24.593 -14.505 1.00 3.03 C ATOM 329 CG LEU A 28 42.046 23.624 -14.060 1.00 73.51 C ATOM 330 CD1 LEU A 28 42.584 22.648 -13.025 1.00 21.22 C ATOM 331 CD2 LEU A 28 40.852 24.387 -13.506 1.00 71.53 C ATOM 0 H LEU A 28 42.732 24.108 -16.895 1.00 72.51 H new ATOM 0 HA LEU A 28 41.722 26.029 -15.240 1.00 73.33 H new ATOM 0 HB2 LEU A 28 43.951 24.015 -14.949 1.00 3.03 H new ATOM 0 HB3 LEU A 28 43.547 25.082 -13.619 1.00 3.03 H new ATOM 0 HG LEU A 28 41.717 23.054 -14.929 1.00 73.51 H new ATOM 0 HD11 LEU A 28 41.790 21.966 -12.720 1.00 21.22 H new ATOM 0 HD12 LEU A 28 43.407 22.077 -13.456 1.00 21.22 H new ATOM 0 HD13 LEU A 28 42.942 23.200 -12.156 1.00 21.22 H new ATOM 0 HD21 LEU A 28 40.082 23.681 -13.194 1.00 71.53 H new ATOM 0 HD22 LEU A 28 41.167 24.983 -12.649 1.00 71.53 H new ATOM 0 HD23 LEU A 28 40.451 25.044 -14.277 1.00 71.53 H new ATOM 343 N VAL A 29 44.916 26.630 -15.878 1.00 43.25 N ATOM 344 CA VAL A 29 45.933 27.674 -15.869 1.00 45.54 C ATOM 345 C VAL A 29 45.815 28.568 -17.099 1.00 50.01 C ATOM 346 O VAL A 29 45.841 29.795 -16.995 1.00 61.04 O ATOM 347 CB VAL A 29 47.351 27.076 -15.817 1.00 52.55 C ATOM 348 CG1 VAL A 29 47.583 26.149 -17.000 1.00 32.50 C ATOM 349 CG2 VAL A 29 48.395 28.183 -15.784 1.00 61.22 C ATOM 0 H VAL A 29 45.233 25.735 -16.252 1.00 43.25 H new ATOM 0 HA VAL A 29 45.765 28.271 -14.972 1.00 45.54 H new ATOM 0 HB VAL A 29 47.446 26.490 -14.903 1.00 52.55 H new ATOM 0 HG11 VAL A 29 48.590 25.736 -16.946 1.00 32.50 H new ATOM 0 HG12 VAL A 29 46.856 25.337 -16.974 1.00 32.50 H new ATOM 0 HG13 VAL A 29 47.469 26.709 -17.928 1.00 32.50 H new ATOM 0 HG21 VAL A 29 49.391 27.743 -15.747 1.00 61.22 H new ATOM 0 HG22 VAL A 29 48.302 28.797 -16.680 1.00 61.22 H new ATOM 0 HG23 VAL A 29 48.240 28.803 -14.901 1.00 61.22 H new ATOM 359 N THR A 30 45.684 27.945 -18.266 1.00 43.10 N ATOM 360 CA THR A 30 45.562 28.682 -19.517 1.00 21.23 C ATOM 361 C THR A 30 44.543 29.809 -19.395 1.00 35.24 C ATOM 362 O THR A 30 44.674 30.851 -20.038 1.00 45.12 O ATOM 363 CB THR A 30 45.150 27.756 -20.678 1.00 12.15 C ATOM 364 OG1 THR A 30 46.248 26.913 -21.045 1.00 2.25 O ATOM 365 CG2 THR A 30 44.702 28.567 -21.884 1.00 54.34 C ATOM 0 H THR A 30 45.660 26.931 -18.370 1.00 43.10 H new ATOM 0 HA THR A 30 46.544 29.105 -19.730 1.00 21.23 H new ATOM 0 HB THR A 30 44.315 27.140 -20.344 1.00 12.15 H new ATOM 0 HG1 THR A 30 46.219 26.089 -20.516 1.00 2.25 H new ATOM 0 HG21 THR A 30 44.416 27.892 -22.691 1.00 54.34 H new ATOM 0 HG22 THR A 30 43.848 29.186 -21.609 1.00 54.34 H new ATOM 0 HG23 THR A 30 45.520 29.205 -22.218 1.00 54.34 H new ATOM 373 N LEU A 31 43.528 29.594 -18.564 1.00 4.41 N ATOM 374 CA LEU A 31 42.486 30.593 -18.356 1.00 64.21 C ATOM 375 C LEU A 31 43.059 31.854 -17.718 1.00 4.13 C ATOM 376 O LEU A 31 43.109 32.912 -18.346 1.00 30.32 O ATOM 377 CB LEU A 31 41.374 30.022 -17.474 1.00 72.00 C ATOM 378 CG LEU A 31 40.011 30.705 -17.586 1.00 53.53 C ATOM 379 CD1 LEU A 31 40.081 32.128 -17.052 1.00 0.54 C ATOM 380 CD2 LEU A 31 39.527 30.700 -19.029 1.00 14.24 C ATOM 0 H LEU A 31 43.405 28.737 -18.024 1.00 4.41 H new ATOM 0 HA LEU A 31 42.071 30.857 -19.329 1.00 64.21 H new ATOM 0 HB2 LEU A 31 41.250 28.967 -17.718 1.00 72.00 H new ATOM 0 HB3 LEU A 31 41.699 30.073 -16.435 1.00 72.00 H new ATOM 0 HG LEU A 31 39.297 30.146 -16.982 1.00 53.53 H new ATOM 0 HD11 LEU A 31 39.102 32.598 -17.140 1.00 0.54 H new ATOM 0 HD12 LEU A 31 40.382 32.109 -16.004 1.00 0.54 H new ATOM 0 HD13 LEU A 31 40.810 32.698 -17.629 1.00 0.54 H new ATOM 0 HD21 LEU A 31 38.555 31.190 -19.089 1.00 14.24 H new ATOM 0 HD22 LEU A 31 40.242 31.234 -19.654 1.00 14.24 H new ATOM 0 HD23 LEU A 31 39.436 29.672 -19.379 1.00 14.24 H new ATOM 392 N ALA A 32 43.493 31.734 -16.468 1.00 13.55 N ATOM 393 CA ALA A 32 44.068 32.863 -15.747 1.00 10.33 C ATOM 394 C ALA A 32 44.958 33.701 -16.658 1.00 33.00 C ATOM 395 O ALA A 32 44.913 34.931 -16.624 1.00 63.04 O ATOM 396 CB ALA A 32 44.856 32.373 -14.540 1.00 64.32 C ATOM 0 H ALA A 32 43.457 30.866 -15.933 1.00 13.55 H new ATOM 0 HA ALA A 32 43.250 33.495 -15.401 1.00 10.33 H new ATOM 0 HB1 ALA A 32 45.280 33.227 -14.011 1.00 64.32 H new ATOM 0 HB2 ALA A 32 44.193 31.824 -13.871 1.00 64.32 H new ATOM 0 HB3 ALA A 32 45.660 31.717 -14.873 1.00 64.32 H new ATOM 402 N ILE A 33 45.766 33.028 -17.469 1.00 25.34 N ATOM 403 CA ILE A 33 46.667 33.712 -18.389 1.00 63.42 C ATOM 404 C ILE A 33 45.946 34.829 -19.135 1.00 51.12 C ATOM 405 O ILE A 33 46.407 35.971 -19.163 1.00 53.41 O ATOM 406 CB ILE A 33 47.274 32.734 -19.413 1.00 44.32 C ATOM 407 CG1 ILE A 33 47.966 31.574 -18.696 1.00 73.13 C ATOM 408 CG2 ILE A 33 48.254 33.462 -20.323 1.00 72.34 C ATOM 409 CD1 ILE A 33 48.875 30.764 -19.594 1.00 71.01 C ATOM 0 H ILE A 33 45.816 32.010 -17.508 1.00 25.34 H new ATOM 0 HA ILE A 33 47.469 34.139 -17.787 1.00 63.42 H new ATOM 0 HB ILE A 33 46.470 32.328 -20.027 1.00 44.32 H new ATOM 0 HG12 ILE A 33 48.549 31.968 -17.863 1.00 73.13 H new ATOM 0 HG13 ILE A 33 47.208 30.916 -18.271 1.00 73.13 H new ATOM 0 HG21 ILE A 33 48.675 32.758 -21.041 1.00 72.34 H new ATOM 0 HG22 ILE A 33 47.733 34.257 -20.856 1.00 72.34 H new ATOM 0 HG23 ILE A 33 49.056 33.892 -19.724 1.00 72.34 H new ATOM 0 HD11 ILE A 33 49.332 29.959 -19.018 1.00 71.01 H new ATOM 0 HD12 ILE A 33 48.294 30.340 -20.413 1.00 71.01 H new ATOM 0 HD13 ILE A 33 49.655 31.409 -19.998 1.00 71.01 H new ATOM 421 N LEU A 34 44.811 34.494 -19.739 1.00 74.41 N ATOM 422 CA LEU A 34 44.023 35.469 -20.484 1.00 40.31 C ATOM 423 C LEU A 34 43.821 36.743 -19.670 1.00 14.32 C ATOM 424 O LEU A 34 43.658 37.830 -20.226 1.00 70.44 O ATOM 425 CB LEU A 34 42.666 34.875 -20.865 1.00 73.40 C ATOM 426 CG LEU A 34 42.123 35.267 -22.240 1.00 13.24 C ATOM 427 CD1 LEU A 34 41.889 36.767 -22.313 1.00 54.43 C ATOM 428 CD2 LEU A 34 43.078 34.820 -23.337 1.00 12.02 C ATOM 0 H LEU A 34 44.416 33.554 -19.727 1.00 74.41 H new ATOM 0 HA LEU A 34 44.570 35.722 -21.392 1.00 40.31 H new ATOM 0 HB2 LEU A 34 42.743 33.789 -20.823 1.00 73.40 H new ATOM 0 HB3 LEU A 34 41.937 35.172 -20.111 1.00 73.40 H new ATOM 0 HG LEU A 34 41.168 34.764 -22.390 1.00 13.24 H new ATOM 0 HD11 LEU A 34 41.503 37.027 -23.298 1.00 54.43 H new ATOM 0 HD12 LEU A 34 41.167 37.060 -21.551 1.00 54.43 H new ATOM 0 HD13 LEU A 34 42.830 37.291 -22.142 1.00 54.43 H new ATOM 0 HD21 LEU A 34 42.676 35.107 -24.309 1.00 12.02 H new ATOM 0 HD22 LEU A 34 44.048 35.295 -23.191 1.00 12.02 H new ATOM 0 HD23 LEU A 34 43.195 33.737 -23.298 1.00 12.02 H new ATOM 440 N THR A 35 43.837 36.604 -18.348 1.00 21.45 N ATOM 441 CA THR A 35 43.657 37.742 -17.457 1.00 12.14 C ATOM 442 C THR A 35 44.751 38.784 -17.668 1.00 72.25 C ATOM 443 O THR A 35 44.479 39.983 -17.711 1.00 65.32 O ATOM 444 CB THR A 35 43.659 37.306 -15.979 1.00 22.24 C ATOM 445 OG1 THR A 35 42.790 36.183 -15.800 1.00 35.42 O ATOM 446 CG2 THR A 35 43.215 38.447 -15.076 1.00 4.51 C ATOM 0 H THR A 35 43.973 35.713 -17.871 1.00 21.45 H new ATOM 0 HA THR A 35 42.688 38.180 -17.697 1.00 12.14 H new ATOM 0 HB THR A 35 44.677 37.025 -15.707 1.00 22.24 H new ATOM 0 HG1 THR A 35 43.225 35.375 -16.143 1.00 35.42 H new ATOM 0 HG21 THR A 35 43.225 38.114 -14.038 1.00 4.51 H new ATOM 0 HG22 THR A 35 43.896 39.290 -15.193 1.00 4.51 H new ATOM 0 HG23 THR A 35 42.206 38.755 -15.349 1.00 4.51 H new ATOM 454 N ALA A 36 45.988 38.318 -17.800 1.00 34.44 N ATOM 455 CA ALA A 36 47.122 39.209 -18.010 1.00 13.25 C ATOM 456 C ALA A 36 46.808 40.256 -19.074 1.00 33.45 C ATOM 457 O ALA A 36 47.301 41.383 -19.015 1.00 31.33 O ATOM 458 CB ALA A 36 48.357 38.410 -18.402 1.00 75.11 C ATOM 0 H ALA A 36 46.231 37.328 -17.765 1.00 34.44 H new ATOM 0 HA ALA A 36 47.322 39.729 -17.073 1.00 13.25 H new ATOM 0 HB1 ALA A 36 49.196 39.089 -18.556 1.00 75.11 H new ATOM 0 HB2 ALA A 36 48.601 37.705 -17.608 1.00 75.11 H new ATOM 0 HB3 ALA A 36 48.159 37.863 -19.324 1.00 75.11 H new ATOM 464 N LEU A 37 45.986 39.876 -20.046 1.00 60.41 N ATOM 465 CA LEU A 37 45.607 40.782 -21.124 1.00 61.23 C ATOM 466 C LEU A 37 44.627 41.840 -20.627 1.00 72.41 C ATOM 467 O LEU A 37 44.788 43.028 -20.904 1.00 4.42 O ATOM 468 CB LEU A 37 44.984 39.998 -22.281 1.00 21.43 C ATOM 469 CG LEU A 37 45.965 39.303 -23.226 1.00 73.21 C ATOM 470 CD1 LEU A 37 46.908 40.315 -23.855 1.00 42.34 C ATOM 471 CD2 LEU A 37 46.750 38.230 -22.484 1.00 61.12 C ATOM 0 H LEU A 37 45.569 38.947 -20.110 1.00 60.41 H new ATOM 0 HA LEU A 37 46.508 41.284 -21.476 1.00 61.23 H new ATOM 0 HB2 LEU A 37 44.316 39.244 -21.865 1.00 21.43 H new ATOM 0 HB3 LEU A 37 44.369 40.681 -22.867 1.00 21.43 H new ATOM 0 HG LEU A 37 45.395 38.824 -24.022 1.00 73.21 H new ATOM 0 HD11 LEU A 37 47.599 39.802 -24.524 1.00 42.34 H new ATOM 0 HD12 LEU A 37 46.331 41.047 -24.420 1.00 42.34 H new ATOM 0 HD13 LEU A 37 47.471 40.823 -23.072 1.00 42.34 H new ATOM 0 HD21 LEU A 37 47.443 37.746 -23.172 1.00 61.12 H new ATOM 0 HD22 LEU A 37 47.309 38.687 -21.667 1.00 61.12 H new ATOM 0 HD23 LEU A 37 46.061 37.488 -22.081 1.00 61.12 H new ATOM 483 N ARG A 38 43.612 41.400 -19.890 1.00 15.42 N ATOM 484 CA ARG A 38 42.607 42.309 -19.353 1.00 52.41 C ATOM 485 C ARG A 38 43.265 43.482 -18.632 1.00 13.32 C ATOM 486 O ARG A 38 43.047 44.642 -18.982 1.00 42.15 O ATOM 487 CB ARG A 38 41.676 41.565 -18.394 1.00 52.23 C ATOM 488 CG ARG A 38 40.205 41.887 -18.601 1.00 61.14 C ATOM 489 CD ARG A 38 39.451 40.700 -19.178 1.00 20.40 C ATOM 490 NE ARG A 38 38.383 41.116 -20.083 1.00 12.21 N ATOM 491 CZ ARG A 38 37.183 41.510 -19.672 1.00 51.35 C ATOM 492 NH1 ARG A 38 36.900 41.542 -18.377 1.00 72.32 N ATOM 493 NH2 ARG A 38 36.263 41.874 -20.556 1.00 2.24 N ATOM 0 H ARG A 38 43.464 40.419 -19.651 1.00 15.42 H new ATOM 0 HA ARG A 38 42.023 42.698 -20.187 1.00 52.41 H new ATOM 0 HB2 ARG A 38 41.825 40.492 -18.516 1.00 52.23 H new ATOM 0 HB3 ARG A 38 41.952 41.811 -17.369 1.00 52.23 H new ATOM 0 HG2 ARG A 38 39.757 42.176 -17.650 1.00 61.14 H new ATOM 0 HG3 ARG A 38 40.109 42.741 -19.271 1.00 61.14 H new ATOM 0 HD2 ARG A 38 40.147 40.054 -19.712 1.00 20.40 H new ATOM 0 HD3 ARG A 38 39.028 40.110 -18.365 1.00 20.40 H new ATOM 0 HE ARG A 38 38.569 41.103 -21.086 1.00 12.21 H new ATOM 0 HH11 ARG A 38 37.605 41.264 -17.694 1.00 72.32 H new ATOM 0 HH12 ARG A 38 35.978 41.845 -18.064 1.00 72.32 H new ATOM 0 HH21 ARG A 38 36.477 41.852 -21.553 1.00 2.24 H new ATOM 0 HH22 ARG A 38 35.342 42.176 -20.238 1.00 2.24 H new ATOM 507 N LEU A 39 44.071 43.173 -17.622 1.00 2.15 N ATOM 508 CA LEU A 39 44.762 44.201 -16.851 1.00 71.53 C ATOM 509 C LEU A 39 45.492 45.174 -17.771 1.00 31.44 C ATOM 510 O LEU A 39 45.620 46.358 -17.462 1.00 30.32 O ATOM 511 CB LEU A 39 45.753 43.558 -15.879 1.00 23.30 C ATOM 512 CG LEU A 39 45.284 42.275 -15.193 1.00 73.42 C ATOM 513 CD1 LEU A 39 46.256 41.870 -14.096 1.00 24.22 C ATOM 514 CD2 LEU A 39 43.883 42.454 -14.626 1.00 52.35 C ATOM 0 H LEU A 39 44.262 42.218 -17.318 1.00 2.15 H new ATOM 0 HA LEU A 39 44.016 44.757 -16.284 1.00 71.53 H new ATOM 0 HB2 LEU A 39 46.674 43.341 -16.421 1.00 23.30 H new ATOM 0 HB3 LEU A 39 46.001 44.288 -15.109 1.00 23.30 H new ATOM 0 HG LEU A 39 45.255 41.479 -15.937 1.00 73.42 H new ATOM 0 HD11 LEU A 39 45.906 40.955 -13.619 1.00 24.22 H new ATOM 0 HD12 LEU A 39 47.242 41.699 -14.528 1.00 24.22 H new ATOM 0 HD13 LEU A 39 46.318 42.665 -13.353 1.00 24.22 H new ATOM 0 HD21 LEU A 39 43.566 41.531 -14.141 1.00 52.35 H new ATOM 0 HD22 LEU A 39 43.886 43.264 -13.896 1.00 52.35 H new ATOM 0 HD23 LEU A 39 43.192 42.696 -15.433 1.00 52.35 H new ATOM 526 N ALA A 40 45.968 44.665 -18.903 1.00 53.25 N ATOM 527 CA ALA A 40 46.681 45.490 -19.870 1.00 31.40 C ATOM 528 C ALA A 40 45.799 46.623 -20.382 1.00 11.40 C ATOM 529 O ALA A 40 46.291 47.695 -20.735 1.00 70.21 O ATOM 530 CB ALA A 40 47.173 44.636 -21.030 1.00 54.13 C ATOM 0 H ALA A 40 45.873 43.686 -19.172 1.00 53.25 H new ATOM 0 HA ALA A 40 47.541 45.933 -19.368 1.00 31.40 H new ATOM 0 HB1 ALA A 40 47.704 45.265 -21.745 1.00 54.13 H new ATOM 0 HB2 ALA A 40 47.846 43.865 -20.655 1.00 54.13 H new ATOM 0 HB3 ALA A 40 46.322 44.166 -21.522 1.00 54.13 H new ATOM 536 N ALA A 41 44.493 46.380 -20.420 1.00 52.23 N ATOM 537 CA ALA A 41 43.543 47.382 -20.887 1.00 64.50 C ATOM 538 C ALA A 41 43.520 48.592 -19.961 1.00 74.41 C ATOM 539 O ALA A 41 43.526 49.736 -20.416 1.00 21.23 O ATOM 540 CB ALA A 41 42.152 46.776 -21.002 1.00 63.21 C ATOM 0 H ALA A 41 44.069 45.498 -20.133 1.00 52.23 H new ATOM 0 HA ALA A 41 43.864 47.719 -21.873 1.00 64.50 H new ATOM 0 HB1 ALA A 41 41.452 47.535 -21.352 1.00 63.21 H new ATOM 0 HB2 ALA A 41 42.173 45.948 -21.711 1.00 63.21 H new ATOM 0 HB3 ALA A 41 41.833 46.410 -20.026 1.00 63.21 H new ATOM 546 N TYR A 42 43.492 48.333 -18.658 1.00 32.43 N ATOM 547 CA TYR A 42 43.465 49.401 -17.666 1.00 52.30 C ATOM 548 C TYR A 42 44.722 50.261 -17.757 1.00 32.41 C ATOM 549 O TYR A 42 44.726 51.420 -17.345 1.00 61.43 O ATOM 550 CB TYR A 42 43.334 48.816 -16.259 1.00 50.52 C ATOM 551 CG TYR A 42 41.918 48.435 -15.891 1.00 30.13 C ATOM 552 CD1 TYR A 42 41.175 47.582 -16.700 1.00 34.14 C ATOM 553 CD2 TYR A 42 41.322 48.926 -14.736 1.00 64.11 C ATOM 554 CE1 TYR A 42 39.881 47.231 -16.368 1.00 41.42 C ATOM 555 CE2 TYR A 42 40.029 48.579 -14.396 1.00 11.51 C ATOM 556 CZ TYR A 42 39.313 47.732 -15.216 1.00 34.40 C ATOM 557 OH TYR A 42 38.024 47.384 -14.881 1.00 1.11 O ATOM 0 H TYR A 42 43.487 47.392 -18.264 1.00 32.43 H new ATOM 0 HA TYR A 42 42.600 50.031 -17.872 1.00 52.30 H new ATOM 0 HB2 TYR A 42 43.971 47.935 -16.180 1.00 50.52 H new ATOM 0 HB3 TYR A 42 43.705 49.543 -15.536 1.00 50.52 H new ATOM 0 HD1 TYR A 42 41.617 47.187 -17.603 1.00 34.14 H new ATOM 0 HD2 TYR A 42 41.879 49.591 -14.093 1.00 64.11 H new ATOM 0 HE1 TYR A 42 39.317 46.568 -17.007 1.00 41.42 H new ATOM 0 HE2 TYR A 42 39.581 48.969 -13.494 1.00 11.51 H new ATOM 0 HH TYR A 42 37.775 47.821 -14.040 1.00 1.11 H new ATOM 567 N ALA A 43 45.788 49.682 -18.300 1.00 1.41 N ATOM 568 CA ALA A 43 47.051 50.394 -18.448 1.00 43.32 C ATOM 569 C ALA A 43 46.875 51.654 -19.289 1.00 14.55 C ATOM 570 O ALA A 43 47.730 52.540 -19.282 1.00 2.34 O ATOM 571 CB ALA A 43 48.100 49.485 -19.070 1.00 24.12 C ATOM 0 H ALA A 43 45.802 48.722 -18.645 1.00 1.41 H new ATOM 0 HA ALA A 43 47.389 50.694 -17.456 1.00 43.32 H new ATOM 0 HB1 ALA A 43 49.038 50.030 -19.174 1.00 24.12 H new ATOM 0 HB2 ALA A 43 48.254 48.616 -18.430 1.00 24.12 H new ATOM 0 HB3 ALA A 43 47.760 49.156 -20.052 1.00 24.12 H new ATOM 577 N ALA A 44 45.763 51.728 -20.011 1.00 21.43 N ATOM 578 CA ALA A 44 45.475 52.880 -20.856 1.00 52.51 C ATOM 579 C ALA A 44 44.911 54.036 -20.035 1.00 31.13 C ATOM 580 O ALA A 44 44.784 55.156 -20.528 1.00 21.21 O ATOM 581 CB ALA A 44 44.505 52.494 -21.963 1.00 70.13 C ATOM 0 H ALA A 44 45.046 51.003 -20.028 1.00 21.43 H new ATOM 0 HA ALA A 44 46.410 53.211 -21.307 1.00 52.51 H new ATOM 0 HB1 ALA A 44 44.299 53.364 -22.586 1.00 70.13 H new ATOM 0 HB2 ALA A 44 44.945 51.706 -22.574 1.00 70.13 H new ATOM 0 HB3 ALA A 44 43.575 52.135 -21.523 1.00 70.13 H new ATOM 587 N ASN A 45 44.574 53.755 -18.781 1.00 14.15 N ATOM 588 CA ASN A 45 44.023 54.771 -17.891 1.00 24.12 C ATOM 589 C ASN A 45 45.063 55.223 -16.871 1.00 41.33 C ATOM 590 O ASN A 45 45.565 56.346 -16.939 1.00 4.34 O ATOM 591 CB ASN A 45 42.787 54.230 -17.170 1.00 41.01 C ATOM 592 CG ASN A 45 41.749 53.682 -18.131 1.00 31.13 C ATOM 593 OD1 ASN A 45 41.326 52.532 -18.015 1.00 23.53 O ATOM 594 ND2 ASN A 45 41.336 54.505 -19.087 1.00 45.15 N ATOM 0 H ASN A 45 44.673 52.832 -18.358 1.00 14.15 H new ATOM 0 HA ASN A 45 43.736 55.631 -18.496 1.00 24.12 H new ATOM 0 HB2 ASN A 45 43.089 53.443 -16.478 1.00 41.01 H new ATOM 0 HB3 ASN A 45 42.341 55.025 -16.573 1.00 41.01 H new ATOM 0 HD21 ASN A 45 40.640 54.192 -19.764 1.00 45.15 H new ATOM 0 HD22 ASN A 45 41.715 55.450 -19.145 1.00 45.15 H new ATOM 601 N ILE A 46 45.381 54.344 -15.928 1.00 2.04 N ATOM 602 CA ILE A 46 46.363 54.653 -14.895 1.00 25.31 C ATOM 603 C ILE A 46 47.489 53.624 -14.882 1.00 42.34 C ATOM 604 O ILE A 46 48.628 53.932 -15.232 1.00 1.32 O ATOM 605 CB ILE A 46 45.714 54.705 -13.500 1.00 63.44 C ATOM 606 CG1 ILE A 46 44.397 53.925 -13.496 1.00 4.41 C ATOM 607 CG2 ILE A 46 45.482 56.147 -13.076 1.00 45.41 C ATOM 608 CD1 ILE A 46 43.943 53.514 -12.113 1.00 71.14 C ATOM 0 H ILE A 46 44.973 53.412 -15.857 1.00 2.04 H new ATOM 0 HA ILE A 46 46.774 55.634 -15.133 1.00 25.31 H new ATOM 0 HB ILE A 46 46.392 54.241 -12.784 1.00 63.44 H new ATOM 0 HG12 ILE A 46 43.621 54.535 -13.958 1.00 4.41 H new ATOM 0 HG13 ILE A 46 44.510 53.033 -14.112 1.00 4.41 H new ATOM 0 HG21 ILE A 46 45.023 56.166 -12.088 1.00 45.41 H new ATOM 0 HG22 ILE A 46 46.435 56.675 -13.043 1.00 45.41 H new ATOM 0 HG23 ILE A 46 44.822 56.635 -13.793 1.00 45.41 H new ATOM 0 HD11 ILE A 46 43.004 52.966 -12.186 1.00 71.14 H new ATOM 0 HD12 ILE A 46 44.700 52.877 -11.656 1.00 71.14 H new ATOM 0 HD13 ILE A 46 43.797 54.403 -11.499 1.00 71.14 H new ATOM 620 N VAL A 47 47.161 52.401 -14.479 1.00 12.35 N ATOM 621 CA VAL A 47 48.144 51.326 -14.423 1.00 12.11 C ATOM 622 C VAL A 47 47.649 50.090 -15.165 1.00 35.44 C ATOM 623 O VAL A 47 46.472 49.990 -15.509 1.00 5.22 O ATOM 624 CB VAL A 47 48.473 50.941 -12.968 1.00 72.25 C ATOM 625 CG1 VAL A 47 49.862 50.329 -12.878 1.00 1.13 C ATOM 626 CG2 VAL A 47 48.355 52.153 -12.057 1.00 10.24 C ATOM 0 H VAL A 47 46.222 52.130 -14.186 1.00 12.35 H new ATOM 0 HA VAL A 47 49.048 51.698 -14.905 1.00 12.11 H new ATOM 0 HB VAL A 47 47.752 50.194 -12.636 1.00 72.25 H new ATOM 0 HG11 VAL A 47 50.076 50.064 -11.843 1.00 1.13 H new ATOM 0 HG12 VAL A 47 49.906 49.434 -13.499 1.00 1.13 H new ATOM 0 HG13 VAL A 47 50.601 51.050 -13.228 1.00 1.13 H new ATOM 0 HG21 VAL A 47 48.591 51.863 -11.033 1.00 10.24 H new ATOM 0 HG22 VAL A 47 49.052 52.924 -12.385 1.00 10.24 H new ATOM 0 HG23 VAL A 47 47.338 52.542 -12.099 1.00 10.24 H new ATOM 636 N ASN A 48 48.557 49.149 -15.407 1.00 72.30 N ATOM 637 CA ASN A 48 48.212 47.917 -16.109 1.00 52.33 C ATOM 638 C ASN A 48 47.608 46.896 -15.150 1.00 1.33 C ATOM 639 O ASN A 48 47.760 45.688 -15.337 1.00 35.01 O ATOM 640 CB ASN A 48 49.451 47.328 -16.786 1.00 0.22 C ATOM 641 CG ASN A 48 50.624 47.199 -15.834 1.00 55.40 C ATOM 642 OD1 ASN A 48 51.202 48.199 -15.403 1.00 60.44 O ATOM 643 ND2 ASN A 48 50.983 45.966 -15.499 1.00 64.04 N ATOM 0 H ASN A 48 49.536 49.216 -15.128 1.00 72.30 H new ATOM 0 HA ASN A 48 47.470 48.157 -16.870 1.00 52.33 H new ATOM 0 HB2 ASN A 48 49.207 46.347 -17.193 1.00 0.22 H new ATOM 0 HB3 ASN A 48 49.737 47.960 -17.627 1.00 0.22 H new ATOM 0 HD21 ASN A 48 51.765 45.818 -14.861 1.00 64.04 H new ATOM 0 HD22 ASN A 48 50.477 45.166 -15.879 1.00 64.04 H new ATOM 650 N VAL A 49 46.922 47.389 -14.124 1.00 72.33 N ATOM 651 CA VAL A 49 46.293 46.519 -13.137 1.00 72.13 C ATOM 652 C VAL A 49 44.774 46.622 -13.202 1.00 63.13 C ATOM 653 O VAL A 49 44.224 47.691 -13.466 1.00 40.54 O ATOM 654 CB VAL A 49 46.758 46.863 -11.709 1.00 61.35 C ATOM 655 CG1 VAL A 49 46.064 45.971 -10.692 1.00 71.35 C ATOM 656 CG2 VAL A 49 48.270 46.738 -11.596 1.00 45.24 C ATOM 0 H VAL A 49 46.788 48.386 -13.954 1.00 72.33 H new ATOM 0 HA VAL A 49 46.596 45.499 -13.375 1.00 72.13 H new ATOM 0 HB VAL A 49 46.485 47.897 -11.496 1.00 61.35 H new ATOM 0 HG11 VAL A 49 46.405 46.229 -9.689 1.00 71.35 H new ATOM 0 HG12 VAL A 49 44.986 46.116 -10.757 1.00 71.35 H new ATOM 0 HG13 VAL A 49 46.303 44.928 -10.900 1.00 71.35 H new ATOM 0 HG21 VAL A 49 48.581 46.985 -10.581 1.00 45.24 H new ATOM 0 HG22 VAL A 49 48.569 45.716 -11.829 1.00 45.24 H new ATOM 0 HG23 VAL A 49 48.745 47.424 -12.297 1.00 45.24 H new ATOM 666 N SER A 50 44.099 45.502 -12.961 1.00 23.21 N ATOM 667 CA SER A 50 42.642 45.464 -12.997 1.00 70.12 C ATOM 668 C SER A 50 42.116 44.183 -12.356 1.00 71.10 C ATOM 669 O SER A 50 42.890 43.318 -11.943 1.00 54.33 O ATOM 670 CB SER A 50 42.143 45.568 -14.439 1.00 72.14 C ATOM 671 OG SER A 50 41.691 44.313 -14.915 1.00 33.52 O ATOM 0 H SER A 50 44.539 44.609 -12.739 1.00 23.21 H new ATOM 0 HA SER A 50 42.267 46.315 -12.428 1.00 70.12 H new ATOM 0 HB2 SER A 50 41.333 46.295 -14.495 1.00 72.14 H new ATOM 0 HB3 SER A 50 42.945 45.935 -15.079 1.00 72.14 H new ATOM 0 HG SER A 50 41.376 44.407 -15.838 1.00 33.52 H new ATOM 677 N LEU A 51 40.795 44.069 -12.277 1.00 33.20 N ATOM 678 CA LEU A 51 40.163 42.893 -11.686 1.00 3.40 C ATOM 679 C LEU A 51 38.845 42.575 -12.386 1.00 14.25 C ATOM 680 O LEU A 51 38.487 43.210 -13.377 1.00 42.51 O ATOM 681 CB LEU A 51 39.920 43.117 -10.193 1.00 31.32 C ATOM 682 CG LEU A 51 41.170 43.270 -9.325 1.00 40.34 C ATOM 683 CD1 LEU A 51 40.876 44.144 -8.115 1.00 71.35 C ATOM 684 CD2 LEU A 51 41.687 41.907 -8.889 1.00 54.54 C ATOM 0 H LEU A 51 40.141 44.775 -12.614 1.00 33.20 H new ATOM 0 HA LEU A 51 40.836 42.045 -11.815 1.00 3.40 H new ATOM 0 HB2 LEU A 51 39.308 44.012 -10.075 1.00 31.32 H new ATOM 0 HB3 LEU A 51 39.337 42.279 -9.811 1.00 31.32 H new ATOM 0 HG LEU A 51 41.944 43.756 -9.919 1.00 40.34 H new ATOM 0 HD11 LEU A 51 41.777 44.242 -7.509 1.00 71.35 H new ATOM 0 HD12 LEU A 51 40.554 45.131 -8.448 1.00 71.35 H new ATOM 0 HD13 LEU A 51 40.086 43.687 -7.519 1.00 71.35 H new ATOM 0 HD21 LEU A 51 42.577 42.036 -8.272 1.00 54.54 H new ATOM 0 HD22 LEU A 51 40.917 41.393 -8.313 1.00 54.54 H new ATOM 0 HD23 LEU A 51 41.938 41.315 -9.769 1.00 54.54 H new ATOM 696 N VAL A 52 38.127 41.587 -11.861 1.00 55.01 N ATOM 697 CA VAL A 52 36.847 41.187 -12.433 1.00 34.34 C ATOM 698 C VAL A 52 35.707 41.417 -11.445 1.00 3.13 C ATOM 699 O VAL A 52 34.538 41.218 -11.772 1.00 43.15 O ATOM 700 CB VAL A 52 36.858 39.703 -12.849 1.00 15.31 C ATOM 701 CG1 VAL A 52 36.841 38.805 -11.622 1.00 31.42 C ATOM 702 CG2 VAL A 52 35.679 39.397 -13.760 1.00 42.33 C ATOM 0 H VAL A 52 38.410 41.050 -11.041 1.00 55.01 H new ATOM 0 HA VAL A 52 36.688 41.805 -13.317 1.00 34.34 H new ATOM 0 HB VAL A 52 37.776 39.505 -13.402 1.00 15.31 H new ATOM 0 HG11 VAL A 52 36.849 37.761 -11.935 1.00 31.42 H new ATOM 0 HG12 VAL A 52 37.721 39.007 -11.011 1.00 31.42 H new ATOM 0 HG13 VAL A 52 35.941 39.002 -11.039 1.00 31.42 H new ATOM 0 HG21 VAL A 52 35.702 38.345 -14.044 1.00 42.33 H new ATOM 0 HG22 VAL A 52 34.748 39.610 -13.235 1.00 42.33 H new ATOM 0 HG23 VAL A 52 35.741 40.016 -14.655 1.00 42.33 H new ATOM 712 N LYS A 53 36.058 41.839 -10.235 1.00 62.12 N ATOM 713 CA LYS A 53 35.066 42.100 -9.199 1.00 74.42 C ATOM 714 C LYS A 53 34.109 43.208 -9.627 1.00 51.52 C ATOM 715 O LYS A 53 32.889 43.052 -9.602 1.00 53.11 O ATOM 716 CB LYS A 53 35.756 42.486 -7.889 1.00 32.35 C ATOM 717 CG LYS A 53 34.898 43.350 -6.980 1.00 60.20 C ATOM 718 CD LYS A 53 33.612 42.641 -6.589 1.00 42.55 C ATOM 719 CE LYS A 53 33.710 42.034 -5.198 1.00 51.40 C ATOM 720 NZ LYS A 53 33.828 40.551 -5.247 1.00 23.22 N ATOM 0 H LYS A 53 37.022 42.008 -9.948 1.00 62.12 H new ATOM 0 HA LYS A 53 34.491 41.187 -9.045 1.00 74.42 H new ATOM 0 HB2 LYS A 53 36.036 41.578 -7.355 1.00 32.35 H new ATOM 0 HB3 LYS A 53 36.679 43.019 -8.118 1.00 32.35 H new ATOM 0 HG2 LYS A 53 35.461 43.606 -6.082 1.00 60.20 H new ATOM 0 HG3 LYS A 53 34.660 44.286 -7.485 1.00 60.20 H new ATOM 0 HD2 LYS A 53 32.782 43.347 -6.621 1.00 42.55 H new ATOM 0 HD3 LYS A 53 33.392 41.857 -7.314 1.00 42.55 H new ATOM 0 HE2 LYS A 53 34.574 42.450 -4.680 1.00 51.40 H new ATOM 0 HE3 LYS A 53 32.829 42.309 -4.619 1.00 51.40 H new ATOM 0 HZ1 LYS A 53 33.892 40.176 -4.279 1.00 23.22 H new ATOM 0 HZ2 LYS A 53 32.991 40.152 -5.718 1.00 23.22 H new ATOM 0 HZ3 LYS A 53 34.683 40.288 -5.778 1.00 23.22 H new ATOM 734 N PRO A 54 34.675 44.355 -10.033 1.00 33.32 N ATOM 735 CA PRO A 54 33.891 45.511 -10.477 1.00 23.13 C ATOM 736 C PRO A 54 33.201 45.264 -11.814 1.00 41.12 C ATOM 737 O PRO A 54 32.377 46.065 -12.257 1.00 62.13 O ATOM 738 CB PRO A 54 34.938 46.620 -10.611 1.00 63.33 C ATOM 739 CG PRO A 54 36.220 45.902 -10.855 1.00 21.32 C ATOM 740 CD PRO A 54 36.124 44.611 -10.089 1.00 5.43 C ATOM 0 HA PRO A 54 33.086 45.749 -9.782 1.00 23.13 H new ATOM 0 HB2 PRO A 54 34.698 47.293 -11.434 1.00 63.33 H new ATOM 0 HB3 PRO A 54 34.990 47.227 -9.707 1.00 63.33 H new ATOM 0 HG2 PRO A 54 36.366 45.715 -11.919 1.00 21.32 H new ATOM 0 HG3 PRO A 54 37.070 46.495 -10.516 1.00 21.32 H new ATOM 0 HD2 PRO A 54 36.656 43.804 -10.593 1.00 5.43 H new ATOM 0 HD3 PRO A 54 36.555 44.702 -9.092 1.00 5.43 H new ATOM 748 N THR A 55 33.543 44.150 -12.455 1.00 74.13 N ATOM 749 CA THR A 55 32.956 43.798 -13.742 1.00 14.35 C ATOM 750 C THR A 55 31.680 42.984 -13.561 1.00 50.31 C ATOM 751 O THR A 55 30.990 42.670 -14.530 1.00 61.13 O ATOM 752 CB THR A 55 33.945 42.996 -14.608 1.00 5.30 C ATOM 753 OG1 THR A 55 33.955 41.624 -14.198 1.00 74.41 O ATOM 754 CG2 THR A 55 35.349 43.572 -14.502 1.00 50.05 C ATOM 0 H THR A 55 34.224 43.476 -12.103 1.00 74.13 H new ATOM 0 HA THR A 55 32.717 44.734 -14.247 1.00 14.35 H new ATOM 0 HB THR A 55 33.620 43.062 -15.646 1.00 5.30 H new ATOM 0 HG1 THR A 55 33.952 41.575 -13.219 1.00 74.41 H new ATOM 0 HG21 THR A 55 36.029 42.989 -15.122 1.00 50.05 H new ATOM 0 HG22 THR A 55 35.344 44.607 -14.843 1.00 50.05 H new ATOM 0 HG23 THR A 55 35.681 43.533 -13.464 1.00 50.05 H new ATOM 762 N VAL A 56 31.371 42.647 -12.313 1.00 24.22 N ATOM 763 CA VAL A 56 30.176 41.869 -12.005 1.00 52.45 C ATOM 764 C VAL A 56 28.927 42.536 -12.571 1.00 41.21 C ATOM 765 O VAL A 56 27.947 41.866 -12.897 1.00 73.43 O ATOM 766 CB VAL A 56 30.002 41.686 -10.485 1.00 4.01 C ATOM 767 CG1 VAL A 56 31.104 40.799 -9.926 1.00 54.30 C ATOM 768 CG2 VAL A 56 29.985 43.037 -9.785 1.00 21.15 C ATOM 0 H VAL A 56 31.931 42.900 -11.499 1.00 24.22 H new ATOM 0 HA VAL A 56 30.306 40.891 -12.469 1.00 52.45 H new ATOM 0 HB VAL A 56 29.046 41.196 -10.301 1.00 4.01 H new ATOM 0 HG11 VAL A 56 30.966 40.680 -8.851 1.00 54.30 H new ATOM 0 HG12 VAL A 56 31.064 39.822 -10.407 1.00 54.30 H new ATOM 0 HG13 VAL A 56 32.074 41.258 -10.118 1.00 54.30 H new ATOM 0 HG21 VAL A 56 29.861 42.889 -8.712 1.00 21.15 H new ATOM 0 HG22 VAL A 56 30.924 43.557 -9.974 1.00 21.15 H new ATOM 0 HG23 VAL A 56 29.157 43.634 -10.167 1.00 21.15 H new ATOM 778 N TYR A 57 28.970 43.859 -12.687 1.00 23.34 N ATOM 779 CA TYR A 57 27.841 44.616 -13.213 1.00 42.21 C ATOM 780 C TYR A 57 27.371 44.042 -14.546 1.00 20.14 C ATOM 781 O TYR A 57 26.176 44.018 -14.839 1.00 31.33 O ATOM 782 CB TYR A 57 28.223 46.088 -13.385 1.00 22.01 C ATOM 783 CG TYR A 57 29.069 46.353 -14.610 1.00 52.44 C ATOM 784 CD1 TYR A 57 30.387 45.922 -14.675 1.00 4.32 C ATOM 785 CD2 TYR A 57 28.548 47.036 -15.703 1.00 61.50 C ATOM 786 CE1 TYR A 57 31.164 46.163 -15.792 1.00 43.53 C ATOM 787 CE2 TYR A 57 29.316 47.281 -16.824 1.00 2.21 C ATOM 788 CZ TYR A 57 30.624 46.843 -16.864 1.00 31.01 C ATOM 789 OH TYR A 57 31.394 47.084 -17.979 1.00 53.44 O ATOM 0 H TYR A 57 29.774 44.429 -12.424 1.00 23.34 H new ATOM 0 HA TYR A 57 27.022 44.540 -12.498 1.00 42.21 H new ATOM 0 HB2 TYR A 57 27.314 46.686 -13.445 1.00 22.01 H new ATOM 0 HB3 TYR A 57 28.766 46.420 -12.500 1.00 22.01 H new ATOM 0 HD1 TYR A 57 30.813 45.389 -13.838 1.00 4.32 H new ATOM 0 HD2 TYR A 57 27.525 47.381 -15.675 1.00 61.50 H new ATOM 0 HE1 TYR A 57 32.188 45.821 -15.826 1.00 43.53 H new ATOM 0 HE2 TYR A 57 28.895 47.812 -17.665 1.00 2.21 H new ATOM 0 HH TYR A 57 30.864 47.572 -18.643 1.00 53.44 H new ATOM 799 N VAL A 58 28.323 43.578 -15.350 1.00 64.01 N ATOM 800 CA VAL A 58 28.009 43.000 -16.652 1.00 11.12 C ATOM 801 C VAL A 58 27.528 41.561 -16.513 1.00 71.34 C ATOM 802 O VAL A 58 26.820 41.045 -17.379 1.00 15.54 O ATOM 803 CB VAL A 58 29.231 43.033 -17.589 1.00 22.23 C ATOM 804 CG1 VAL A 58 30.197 41.908 -17.247 1.00 43.35 C ATOM 805 CG2 VAL A 58 28.789 42.945 -19.043 1.00 31.44 C ATOM 0 H VAL A 58 29.317 43.591 -15.123 1.00 64.01 H new ATOM 0 HA VAL A 58 27.212 43.606 -17.084 1.00 11.12 H new ATOM 0 HB VAL A 58 29.751 43.981 -17.448 1.00 22.23 H new ATOM 0 HG11 VAL A 58 31.054 41.947 -17.919 1.00 43.35 H new ATOM 0 HG12 VAL A 58 30.538 42.021 -16.218 1.00 43.35 H new ATOM 0 HG13 VAL A 58 29.692 40.948 -17.358 1.00 43.35 H new ATOM 0 HG21 VAL A 58 29.665 42.970 -19.692 1.00 31.44 H new ATOM 0 HG22 VAL A 58 28.245 42.014 -19.202 1.00 31.44 H new ATOM 0 HG23 VAL A 58 28.140 43.789 -19.278 1.00 31.44 H new ATOM 815 N TYR A 59 27.914 40.916 -15.417 1.00 51.21 N ATOM 816 CA TYR A 59 27.524 39.535 -15.165 1.00 70.54 C ATOM 817 C TYR A 59 26.007 39.376 -15.234 1.00 45.34 C ATOM 818 O TYR A 59 25.499 38.411 -15.806 1.00 55.44 O ATOM 819 CB TYR A 59 28.032 39.080 -13.797 1.00 33.13 C ATOM 820 CG TYR A 59 27.990 37.581 -13.601 1.00 51.43 C ATOM 821 CD1 TYR A 59 28.471 36.720 -14.579 1.00 31.03 C ATOM 822 CD2 TYR A 59 27.467 37.027 -12.439 1.00 23.32 C ATOM 823 CE1 TYR A 59 28.434 35.350 -14.406 1.00 33.41 C ATOM 824 CE2 TYR A 59 27.427 35.658 -12.257 1.00 44.01 C ATOM 825 CZ TYR A 59 27.911 34.824 -13.243 1.00 3.44 C ATOM 826 OH TYR A 59 27.872 33.460 -13.065 1.00 22.30 O ATOM 0 H TYR A 59 28.497 41.329 -14.689 1.00 51.21 H new ATOM 0 HA TYR A 59 27.973 38.911 -15.938 1.00 70.54 H new ATOM 0 HB2 TYR A 59 29.057 39.426 -13.666 1.00 33.13 H new ATOM 0 HB3 TYR A 59 27.434 39.556 -13.020 1.00 33.13 H new ATOM 0 HD1 TYR A 59 28.881 37.129 -15.491 1.00 31.03 H new ATOM 0 HD2 TYR A 59 27.086 37.677 -11.666 1.00 23.32 H new ATOM 0 HE1 TYR A 59 28.812 34.695 -15.177 1.00 33.41 H new ATOM 0 HE2 TYR A 59 27.019 35.243 -11.347 1.00 44.01 H new ATOM 0 HH TYR A 59 27.475 33.255 -12.193 1.00 22.30 H new ATOM 836 N SER A 60 25.292 40.330 -14.650 1.00 52.52 N ATOM 837 CA SER A 60 23.834 40.297 -14.641 1.00 2.11 C ATOM 838 C SER A 60 23.271 40.783 -15.974 1.00 3.34 C ATOM 839 O SER A 60 22.216 40.330 -16.416 1.00 45.43 O ATOM 840 CB SER A 60 23.289 41.158 -13.501 1.00 13.14 C ATOM 841 OG SER A 60 24.050 42.344 -13.348 1.00 15.02 O ATOM 0 H SER A 60 25.698 41.137 -14.176 1.00 52.52 H new ATOM 0 HA SER A 60 23.521 39.264 -14.488 1.00 2.11 H new ATOM 0 HB2 SER A 60 22.248 41.413 -13.700 1.00 13.14 H new ATOM 0 HB3 SER A 60 23.306 40.589 -12.571 1.00 13.14 H new ATOM 0 HG SER A 60 23.680 42.878 -12.614 1.00 15.02 H new ATOM 847 N ARG A 61 23.985 41.707 -16.608 1.00 53.31 N ATOM 848 CA ARG A 61 23.559 42.258 -17.889 1.00 32.41 C ATOM 849 C ARG A 61 23.606 41.192 -18.980 1.00 45.01 C ATOM 850 O ARG A 61 22.610 40.938 -19.659 1.00 20.14 O ATOM 851 CB ARG A 61 24.442 43.443 -18.280 1.00 12.34 C ATOM 852 CG ARG A 61 24.193 44.689 -17.447 1.00 53.23 C ATOM 853 CD ARG A 61 24.545 45.953 -18.215 1.00 32.23 C ATOM 854 NE ARG A 61 25.982 46.070 -18.448 1.00 24.12 N ATOM 855 CZ ARG A 61 26.578 45.689 -19.572 1.00 32.45 C ATOM 856 NH1 ARG A 61 25.864 45.168 -20.561 1.00 13.24 N ATOM 857 NH2 ARG A 61 27.891 45.827 -19.708 1.00 64.53 N ATOM 0 H ARG A 61 24.862 42.090 -16.255 1.00 53.31 H new ATOM 0 HA ARG A 61 22.530 42.602 -17.784 1.00 32.41 H new ATOM 0 HB2 ARG A 61 25.488 43.154 -18.182 1.00 12.34 H new ATOM 0 HB3 ARG A 61 24.274 43.679 -19.331 1.00 12.34 H new ATOM 0 HG2 ARG A 61 23.146 44.724 -17.147 1.00 53.23 H new ATOM 0 HG3 ARG A 61 24.785 44.641 -16.533 1.00 53.23 H new ATOM 0 HD2 ARG A 61 24.022 45.954 -19.171 1.00 32.23 H new ATOM 0 HD3 ARG A 61 24.196 46.824 -17.660 1.00 32.23 H new ATOM 0 HE ARG A 61 26.560 46.466 -17.707 1.00 24.12 H new ATOM 0 HH11 ARG A 61 24.855 45.059 -20.459 1.00 13.24 H new ATOM 0 HH12 ARG A 61 26.324 44.876 -21.423 1.00 13.24 H new ATOM 0 HH21 ARG A 61 28.443 46.226 -18.949 1.00 64.53 H new ATOM 0 HH22 ARG A 61 28.348 45.534 -20.572 1.00 64.53 H new ATOM 871 N VAL A 62 24.771 40.572 -19.145 1.00 51.34 N ATOM 872 CA VAL A 62 24.948 39.534 -20.154 1.00 14.34 C ATOM 873 C VAL A 62 23.876 38.458 -20.030 1.00 52.30 C ATOM 874 O VAL A 62 23.335 37.988 -21.030 1.00 61.23 O ATOM 875 CB VAL A 62 26.337 38.875 -20.041 1.00 73.13 C ATOM 876 CG1 VAL A 62 27.432 39.876 -20.376 1.00 14.13 C ATOM 877 CG2 VAL A 62 26.539 38.294 -18.650 1.00 53.43 C ATOM 0 H VAL A 62 25.606 40.771 -18.593 1.00 51.34 H new ATOM 0 HA VAL A 62 24.860 40.019 -21.126 1.00 14.34 H new ATOM 0 HB VAL A 62 26.393 38.059 -20.761 1.00 73.13 H new ATOM 0 HG11 VAL A 62 28.405 39.393 -20.291 1.00 14.13 H new ATOM 0 HG12 VAL A 62 27.295 40.238 -21.395 1.00 14.13 H new ATOM 0 HG13 VAL A 62 27.382 40.716 -19.683 1.00 14.13 H new ATOM 0 HG21 VAL A 62 27.525 37.833 -18.588 1.00 53.43 H new ATOM 0 HG22 VAL A 62 26.463 39.090 -17.909 1.00 53.43 H new ATOM 0 HG23 VAL A 62 25.774 37.543 -18.455 1.00 53.43 H new ATOM 887 N LYS A 63 23.571 38.073 -18.795 1.00 11.21 N ATOM 888 CA LYS A 63 22.561 37.053 -18.538 1.00 41.11 C ATOM 889 C LYS A 63 21.158 37.621 -18.718 1.00 71.35 C ATOM 890 O LYS A 63 20.251 36.928 -19.180 1.00 14.23 O ATOM 891 CB LYS A 63 22.719 36.494 -17.123 1.00 11.51 C ATOM 892 CG LYS A 63 22.392 37.499 -16.032 1.00 51.35 C ATOM 893 CD LYS A 63 22.373 36.847 -14.660 1.00 2.24 C ATOM 894 CE LYS A 63 21.014 36.241 -14.348 1.00 24.32 C ATOM 895 NZ LYS A 63 20.909 35.813 -12.926 1.00 10.11 N ATOM 0 H LYS A 63 24.009 38.452 -17.956 1.00 11.21 H new ATOM 0 HA LYS A 63 22.703 36.247 -19.258 1.00 41.11 H new ATOM 0 HB2 LYS A 63 22.071 35.625 -17.010 1.00 11.51 H new ATOM 0 HB3 LYS A 63 23.744 36.147 -16.991 1.00 11.51 H new ATOM 0 HG2 LYS A 63 23.129 38.302 -16.044 1.00 51.35 H new ATOM 0 HG3 LYS A 63 21.422 37.953 -16.233 1.00 51.35 H new ATOM 0 HD2 LYS A 63 23.137 36.071 -14.614 1.00 2.24 H new ATOM 0 HD3 LYS A 63 22.625 37.588 -13.901 1.00 2.24 H new ATOM 0 HE2 LYS A 63 20.233 36.970 -14.566 1.00 24.32 H new ATOM 0 HE3 LYS A 63 20.841 35.384 -14.999 1.00 24.32 H new ATOM 0 HZ1 LYS A 63 19.968 35.405 -12.755 1.00 10.11 H new ATOM 0 HZ2 LYS A 63 21.637 35.099 -12.724 1.00 10.11 H new ATOM 0 HZ3 LYS A 63 21.048 36.635 -12.305 1.00 10.11 H new ATOM 909 N ASN A 64 20.984 38.887 -18.351 1.00 61.13 N ATOM 910 CA ASN A 64 19.690 39.548 -18.473 1.00 41.22 C ATOM 911 C ASN A 64 19.228 39.576 -19.927 1.00 14.33 C ATOM 912 O ASN A 64 18.032 39.670 -20.208 1.00 23.55 O ATOM 913 CB ASN A 64 19.769 40.974 -17.924 1.00 14.20 C ATOM 914 CG ASN A 64 19.242 41.077 -16.505 1.00 41.21 C ATOM 915 OD1 ASN A 64 18.521 42.015 -16.165 1.00 13.21 O ATOM 916 ND2 ASN A 64 19.602 40.110 -15.669 1.00 22.42 N ATOM 0 H ASN A 64 21.723 39.475 -17.967 1.00 61.13 H new ATOM 0 HA ASN A 64 18.964 38.981 -17.891 1.00 41.22 H new ATOM 0 HB2 ASN A 64 20.804 41.314 -17.950 1.00 14.20 H new ATOM 0 HB3 ASN A 64 19.199 41.641 -18.570 1.00 14.20 H new ATOM 0 HD21 ASN A 64 19.279 40.126 -14.702 1.00 22.42 H new ATOM 0 HD22 ASN A 64 20.201 39.351 -15.994 1.00 22.42 H new ATOM 923 N LEU A 65 20.183 39.496 -20.847 1.00 33.44 N ATOM 924 CA LEU A 65 19.875 39.511 -22.273 1.00 35.23 C ATOM 925 C LEU A 65 19.522 38.111 -22.768 1.00 4.53 C ATOM 926 O LEU A 65 18.457 37.931 -23.354 1.00 53.14 O ATOM 927 CB LEU A 65 21.062 40.061 -23.065 1.00 15.43 C ATOM 928 CG LEU A 65 21.075 41.573 -23.292 1.00 72.53 C ATOM 929 CD1 LEU A 65 19.901 41.992 -24.165 1.00 31.34 C ATOM 930 CD2 LEU A 65 21.042 42.313 -21.961 1.00 25.52 C ATOM 0 H LEU A 65 21.177 39.420 -20.631 1.00 33.44 H new ATOM 0 HA LEU A 65 19.012 40.159 -22.427 1.00 35.23 H new ATOM 0 HB2 LEU A 65 21.979 39.784 -22.546 1.00 15.43 H new ATOM 0 HB3 LEU A 65 21.085 39.568 -24.037 1.00 15.43 H new ATOM 0 HG LEU A 65 21.998 41.835 -23.809 1.00 72.53 H new ATOM 0 HD11 LEU A 65 19.927 43.071 -24.316 1.00 31.34 H new ATOM 0 HD12 LEU A 65 19.967 41.489 -25.130 1.00 31.34 H new ATOM 0 HD13 LEU A 65 18.967 41.716 -23.676 1.00 31.34 H new ATOM 0 HD21 LEU A 65 21.052 43.388 -22.142 1.00 25.52 H new ATOM 0 HD22 LEU A 65 20.136 42.045 -21.418 1.00 25.52 H new ATOM 0 HD23 LEU A 65 21.915 42.037 -21.369 1.00 25.52 H new TER 942 LEU A 65