USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 TYR OH : rot 180:sc= 0.964 USER MOD Set 1.2: A 60 THR OG1 : rot -166:sc= -0.323 USER MOD Single : A 4 THR OG1 : rot 2:sc= 0.76 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -9.89! C(o=-9.9!,f=-9.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -127:sc= -2.32! (180deg=-4.97!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.476 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.7!) USER MOD Single : A 39 THR OG1 : rot -150:sc= -0.789 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.43) USER MOD Single : A 44 SER OG : rot 180:sc= -0.514 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 15:sc= -1.29 USER MOD Single : A 58 GLN : amide:sc= -0.0429 K(o=-0.043,f=-1.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.34 K(o=-1.3,f=-4.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.48) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.19 K(o=-2.2,f=-2.7!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.26 USER MOD Single : A 81 SER OG : rot 180:sc= -0.0207 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 1.953 3.747 -10.185 1.00 33.31 N ATOM 49 CA THR A 4 2.400 3.996 -11.549 1.00 64.42 C ATOM 50 C THR A 4 1.538 3.244 -12.557 1.00 14.53 C ATOM 51 O THR A 4 1.476 2.015 -12.540 1.00 60.32 O ATOM 52 CB THR A 4 3.872 3.583 -11.742 1.00 32.42 C ATOM 53 OG1 THR A 4 4.294 2.753 -10.654 1.00 4.45 O ATOM 54 CG2 THR A 4 4.770 4.807 -11.832 1.00 22.13 C ATOM 0 HA THR A 4 2.305 5.068 -11.721 1.00 64.42 H new ATOM 0 HB THR A 4 3.951 3.026 -12.675 1.00 32.42 H new ATOM 0 HG1 THR A 4 3.544 2.613 -10.039 1.00 4.45 H new ATOM 0 HG21 THR A 4 5.804 4.490 -11.968 1.00 22.13 H new ATOM 0 HG22 THR A 4 4.464 5.421 -12.679 1.00 22.13 H new ATOM 0 HG23 THR A 4 4.686 5.388 -10.914 1.00 22.13 H new ATOM 62 N ILE A 5 0.874 3.991 -13.433 1.00 34.13 N ATOM 63 CA ILE A 5 0.016 3.394 -14.449 1.00 13.21 C ATOM 64 C ILE A 5 0.836 2.877 -15.626 1.00 33.53 C ATOM 65 O ILE A 5 2.007 3.225 -15.782 1.00 53.41 O ATOM 66 CB ILE A 5 -1.027 4.402 -14.968 1.00 21.11 C ATOM 67 CG1 ILE A 5 -0.340 5.519 -15.757 1.00 32.33 C ATOM 68 CG2 ILE A 5 -1.828 4.979 -13.810 1.00 61.13 C ATOM 69 CD1 ILE A 5 -0.527 5.404 -17.253 1.00 43.15 C ATOM 0 H ILE A 5 0.914 5.010 -13.459 1.00 34.13 H new ATOM 0 HA ILE A 5 -0.501 2.560 -13.975 1.00 13.21 H new ATOM 0 HB ILE A 5 -1.714 3.881 -15.635 1.00 21.11 H new ATOM 0 HG12 ILE A 5 -0.729 6.481 -15.423 1.00 32.33 H new ATOM 0 HG13 ILE A 5 0.726 5.510 -15.530 1.00 32.33 H new ATOM 0 HG21 ILE A 5 -2.561 5.689 -14.193 1.00 61.13 H new ATOM 0 HG22 ILE A 5 -2.343 4.173 -13.287 1.00 61.13 H new ATOM 0 HG23 ILE A 5 -1.155 5.488 -13.120 1.00 61.13 H new ATOM 0 HD11 ILE A 5 -0.014 6.228 -17.748 1.00 43.15 H new ATOM 0 HD12 ILE A 5 -0.112 4.457 -17.600 1.00 43.15 H new ATOM 0 HD13 ILE A 5 -1.590 5.443 -17.491 1.00 43.15 H new ATOM 81 N LEU A 6 0.213 2.044 -16.452 1.00 61.25 N ATOM 82 CA LEU A 6 0.884 1.479 -17.618 1.00 23.40 C ATOM 83 C LEU A 6 0.073 1.725 -18.886 1.00 63.01 C ATOM 84 O LEU A 6 0.631 1.982 -19.952 1.00 63.30 O ATOM 85 CB LEU A 6 1.107 -0.022 -17.425 1.00 31.42 C ATOM 86 CG LEU A 6 2.558 -0.500 -17.495 1.00 73.34 C ATOM 87 CD1 LEU A 6 2.697 -1.879 -16.868 1.00 12.53 C ATOM 88 CD2 LEU A 6 3.044 -0.517 -18.937 1.00 60.52 C ATOM 0 H LEU A 6 -0.755 1.745 -16.336 1.00 61.25 H new ATOM 0 HA LEU A 6 1.850 1.973 -17.725 1.00 23.40 H new ATOM 0 HB2 LEU A 6 0.698 -0.308 -16.456 1.00 31.42 H new ATOM 0 HB3 LEU A 6 0.533 -0.555 -18.183 1.00 31.42 H new ATOM 0 HG LEU A 6 3.178 0.197 -16.931 1.00 73.34 H new ATOM 0 HD11 LEU A 6 3.736 -2.202 -16.927 1.00 12.53 H new ATOM 0 HD12 LEU A 6 2.389 -1.836 -15.823 1.00 12.53 H new ATOM 0 HD13 LEU A 6 2.065 -2.588 -17.404 1.00 12.53 H new ATOM 0 HD21 LEU A 6 4.078 -0.860 -18.968 1.00 60.52 H new ATOM 0 HD22 LEU A 6 2.420 -1.192 -19.523 1.00 60.52 H new ATOM 0 HD23 LEU A 6 2.982 0.488 -19.354 1.00 60.52 H new ATOM 100 N GLY A 7 -1.248 1.647 -18.762 1.00 33.10 N ATOM 101 CA GLY A 7 -2.115 1.866 -19.905 1.00 60.12 C ATOM 102 C GLY A 7 -2.934 3.135 -19.777 1.00 43.23 C ATOM 103 O GLY A 7 -3.184 3.611 -18.670 1.00 2.25 O ATOM 0 H GLY A 7 -1.734 1.436 -17.890 1.00 33.10 H new ATOM 0 HA2 GLY A 7 -1.511 1.917 -20.811 1.00 60.12 H new ATOM 0 HA3 GLY A 7 -2.786 1.014 -20.017 1.00 60.12 H new ATOM 107 N ILE A 8 -3.351 3.685 -20.913 1.00 5.34 N ATOM 108 CA ILE A 8 -4.145 4.907 -20.922 1.00 41.42 C ATOM 109 C ILE A 8 -5.242 4.841 -21.979 1.00 14.41 C ATOM 110 O ILE A 8 -5.049 4.273 -23.053 1.00 34.21 O ATOM 111 CB ILE A 8 -3.269 6.146 -21.185 1.00 43.40 C ATOM 112 CG1 ILE A 8 -2.179 6.263 -20.118 1.00 24.23 C ATOM 113 CG2 ILE A 8 -4.125 7.404 -21.215 1.00 63.20 C ATOM 114 CD1 ILE A 8 -1.301 7.484 -20.281 1.00 14.34 C ATOM 0 H ILE A 8 -3.152 3.304 -21.838 1.00 5.34 H new ATOM 0 HA ILE A 8 -4.599 4.996 -19.935 1.00 41.42 H new ATOM 0 HB ILE A 8 -2.789 6.033 -22.157 1.00 43.40 H new ATOM 0 HG12 ILE A 8 -2.647 6.291 -19.134 1.00 24.23 H new ATOM 0 HG13 ILE A 8 -1.555 5.370 -20.149 1.00 24.23 H new ATOM 0 HG21 ILE A 8 -3.491 8.271 -21.402 1.00 63.20 H new ATOM 0 HG22 ILE A 8 -4.868 7.320 -22.008 1.00 63.20 H new ATOM 0 HG23 ILE A 8 -4.630 7.523 -20.256 1.00 63.20 H new ATOM 0 HD11 ILE A 8 -0.551 7.501 -19.490 1.00 14.34 H new ATOM 0 HD12 ILE A 8 -0.804 7.448 -21.251 1.00 14.34 H new ATOM 0 HD13 ILE A 8 -1.914 8.383 -20.220 1.00 14.34 H new ATOM 126 N GLU A 9 -6.393 5.429 -21.666 1.00 74.54 N ATOM 127 CA GLU A 9 -7.522 5.437 -22.590 1.00 65.23 C ATOM 128 C GLU A 9 -8.021 6.859 -22.826 1.00 13.31 C ATOM 129 O GLU A 9 -8.327 7.587 -21.881 1.00 23.42 O ATOM 130 CB GLU A 9 -8.659 4.568 -22.049 1.00 61.02 C ATOM 131 CG GLU A 9 -8.870 3.284 -22.834 1.00 20.14 C ATOM 132 CD GLU A 9 -10.118 2.537 -22.405 1.00 54.25 C ATOM 133 OE1 GLU A 9 -10.144 2.030 -21.264 1.00 44.43 O ATOM 134 OE2 GLU A 9 -11.069 2.459 -23.211 1.00 14.42 O ATOM 0 H GLU A 9 -6.568 5.905 -20.781 1.00 74.54 H new ATOM 0 HA GLU A 9 -7.183 5.027 -23.541 1.00 65.23 H new ATOM 0 HB2 GLU A 9 -8.451 4.318 -21.009 1.00 61.02 H new ATOM 0 HB3 GLU A 9 -9.583 5.146 -22.059 1.00 61.02 H new ATOM 0 HG2 GLU A 9 -8.939 3.519 -23.896 1.00 20.14 H new ATOM 0 HG3 GLU A 9 -8.002 2.637 -22.706 1.00 20.14 H new ATOM 141 N VAL A 10 -8.102 7.250 -24.094 1.00 65.41 N ATOM 142 CA VAL A 10 -8.564 8.584 -24.455 1.00 53.14 C ATOM 143 C VAL A 10 -10.071 8.715 -24.261 1.00 23.24 C ATOM 144 O VAL A 10 -10.841 7.869 -24.714 1.00 74.12 O ATOM 145 CB VAL A 10 -8.215 8.923 -25.917 1.00 35.41 C ATOM 146 CG1 VAL A 10 -8.866 7.928 -26.866 1.00 35.34 C ATOM 147 CG2 VAL A 10 -8.639 10.345 -26.250 1.00 15.13 C ATOM 0 H VAL A 10 -7.853 6.661 -24.889 1.00 65.41 H new ATOM 0 HA VAL A 10 -8.053 9.285 -23.795 1.00 53.14 H new ATOM 0 HB VAL A 10 -7.134 8.852 -26.040 1.00 35.41 H new ATOM 0 HG11 VAL A 10 -8.608 8.183 -27.894 1.00 35.34 H new ATOM 0 HG12 VAL A 10 -8.508 6.923 -26.641 1.00 35.34 H new ATOM 0 HG13 VAL A 10 -9.949 7.963 -26.744 1.00 35.34 H new ATOM 0 HG21 VAL A 10 -8.385 10.567 -27.286 1.00 15.13 H new ATOM 0 HG22 VAL A 10 -9.715 10.446 -26.111 1.00 15.13 H new ATOM 0 HG23 VAL A 10 -8.121 11.043 -25.592 1.00 15.13 H new ATOM 157 N SER A 11 -10.484 9.781 -23.583 1.00 40.22 N ATOM 158 CA SER A 11 -11.899 10.022 -23.325 1.00 61.31 C ATOM 159 C SER A 11 -12.221 11.510 -23.411 1.00 54.42 C ATOM 160 O SER A 11 -13.246 11.964 -22.902 1.00 5.23 O ATOM 161 CB SER A 11 -12.286 9.483 -21.946 1.00 52.34 C ATOM 162 OG SER A 11 -13.292 8.490 -22.051 1.00 1.53 O ATOM 0 H SER A 11 -9.859 10.492 -23.202 1.00 40.22 H new ATOM 0 HA SER A 11 -12.477 9.499 -24.087 1.00 61.31 H new ATOM 0 HB2 SER A 11 -11.407 9.064 -21.456 1.00 52.34 H new ATOM 0 HB3 SER A 11 -12.642 10.301 -21.319 1.00 52.34 H new ATOM 0 HG SER A 11 -13.521 8.160 -21.157 1.00 1.53 H new ATOM 168 N GLN A 12 -11.339 12.264 -24.060 1.00 33.13 N ATOM 169 CA GLN A 12 -11.529 13.702 -24.212 1.00 73.42 C ATOM 170 C GLN A 12 -12.382 14.011 -25.438 1.00 60.13 C ATOM 171 O GLN A 12 -12.126 13.501 -26.528 1.00 63.42 O ATOM 172 CB GLN A 12 -10.177 14.407 -24.326 1.00 23.12 C ATOM 173 CG GLN A 12 -9.259 13.797 -25.373 1.00 24.02 C ATOM 174 CD GLN A 12 -8.107 13.025 -24.760 1.00 63.02 C ATOM 175 OE1 GLN A 12 -8.302 12.201 -23.866 1.00 51.12 O ATOM 176 NE2 GLN A 12 -6.896 13.288 -25.239 1.00 74.22 N ATOM 0 H GLN A 12 -10.487 11.903 -24.489 1.00 33.13 H new ATOM 0 HA GLN A 12 -12.049 14.070 -23.328 1.00 73.42 H new ATOM 0 HB2 GLN A 12 -10.343 15.457 -24.568 1.00 23.12 H new ATOM 0 HB3 GLN A 12 -9.679 14.378 -23.357 1.00 23.12 H new ATOM 0 HG2 GLN A 12 -9.837 13.132 -26.014 1.00 24.02 H new ATOM 0 HG3 GLN A 12 -8.863 14.589 -26.009 1.00 24.02 H new ATOM 0 HE21 GLN A 12 -6.780 13.979 -25.980 1.00 74.22 H new ATOM 0 HE22 GLN A 12 -6.083 12.799 -24.865 1.00 74.22 H new ATOM 185 N GLU A 13 -13.397 14.849 -25.251 1.00 44.33 N ATOM 186 CA GLU A 13 -14.287 15.225 -26.343 1.00 34.11 C ATOM 187 C GLU A 13 -14.019 16.657 -26.796 1.00 10.32 C ATOM 188 O GLU A 13 -13.509 17.488 -26.044 1.00 22.34 O ATOM 189 CB GLU A 13 -15.748 15.080 -25.911 1.00 52.14 C ATOM 190 CG GLU A 13 -16.341 13.716 -26.220 1.00 35.44 C ATOM 191 CD GLU A 13 -16.476 12.846 -24.985 1.00 34.31 C ATOM 192 OE1 GLU A 13 -17.431 13.060 -24.209 1.00 3.12 O ATOM 193 OE2 GLU A 13 -15.627 11.950 -24.795 1.00 61.04 O ATOM 0 H GLU A 13 -13.623 15.280 -24.355 1.00 44.33 H new ATOM 0 HA GLU A 13 -14.094 14.556 -27.182 1.00 34.11 H new ATOM 0 HB2 GLU A 13 -15.821 15.264 -24.839 1.00 52.14 H new ATOM 0 HB3 GLU A 13 -16.343 15.847 -26.408 1.00 52.14 H new ATOM 0 HG2 GLU A 13 -17.322 13.845 -26.678 1.00 35.44 H new ATOM 0 HG3 GLU A 13 -15.712 13.208 -26.951 1.00 35.44 H new ATOM 200 N PRO A 14 -14.370 16.955 -28.056 1.00 31.53 N ATOM 201 CA PRO A 14 -14.177 18.286 -28.638 1.00 60.22 C ATOM 202 C PRO A 14 -15.110 19.326 -28.029 1.00 14.23 C ATOM 203 O PRO A 14 -16.317 19.107 -27.923 1.00 54.15 O ATOM 204 CB PRO A 14 -14.504 18.076 -30.119 1.00 0.12 C ATOM 205 CG PRO A 14 -15.419 16.901 -30.142 1.00 14.02 C ATOM 206 CD PRO A 14 -14.983 16.014 -29.009 1.00 12.04 C ATOM 0 HA PRO A 14 -13.172 18.667 -28.459 1.00 60.22 H new ATOM 0 HB2 PRO A 14 -14.981 18.957 -30.548 1.00 0.12 H new ATOM 0 HB3 PRO A 14 -13.602 17.887 -30.701 1.00 0.12 H new ATOM 0 HG2 PRO A 14 -16.456 17.212 -30.017 1.00 14.02 H new ATOM 0 HG3 PRO A 14 -15.356 16.376 -31.095 1.00 14.02 H new ATOM 0 HD2 PRO A 14 -15.826 15.485 -28.565 1.00 12.04 H new ATOM 0 HD3 PRO A 14 -14.272 15.258 -29.341 1.00 12.04 H new ATOM 214 N LYS A 15 -14.545 20.460 -27.628 1.00 65.25 N ATOM 215 CA LYS A 15 -15.326 21.536 -27.031 1.00 2.13 C ATOM 216 C LYS A 15 -14.457 22.764 -26.779 1.00 3.12 C ATOM 217 O LYS A 15 -14.466 23.715 -27.560 1.00 53.43 O ATOM 218 CB LYS A 15 -15.957 21.067 -25.718 1.00 55.21 C ATOM 219 CG LYS A 15 -16.638 22.180 -24.939 1.00 61.41 C ATOM 220 CD LYS A 15 -17.921 21.697 -24.283 1.00 24.21 C ATOM 221 CE LYS A 15 -18.821 22.860 -23.897 1.00 53.20 C ATOM 222 NZ LYS A 15 -20.233 22.629 -24.310 1.00 52.10 N ATOM 0 H LYS A 15 -13.547 20.657 -27.706 1.00 65.25 H new ATOM 0 HA LYS A 15 -16.116 21.809 -27.730 1.00 2.13 H new ATOM 0 HB2 LYS A 15 -16.687 20.287 -25.934 1.00 55.21 H new ATOM 0 HB3 LYS A 15 -15.185 20.618 -25.094 1.00 55.21 H new ATOM 0 HG2 LYS A 15 -15.959 22.560 -24.176 1.00 61.41 H new ATOM 0 HG3 LYS A 15 -16.861 23.010 -25.609 1.00 61.41 H new ATOM 0 HD2 LYS A 15 -18.453 21.035 -24.966 1.00 24.21 H new ATOM 0 HD3 LYS A 15 -17.679 21.112 -23.395 1.00 24.21 H new ATOM 0 HE2 LYS A 15 -18.778 23.010 -22.818 1.00 53.20 H new ATOM 0 HE3 LYS A 15 -18.452 23.775 -24.361 1.00 53.20 H new ATOM 0 HZ1 LYS A 15 -20.815 23.444 -24.029 1.00 52.10 H new ATOM 0 HZ2 LYS A 15 -20.278 22.511 -25.342 1.00 52.10 H new ATOM 0 HZ3 LYS A 15 -20.594 21.770 -23.847 1.00 52.10 H new ATOM 236 N LYS A 16 -13.705 22.736 -25.684 1.00 3.43 N ATOM 237 CA LYS A 16 -12.827 23.846 -25.329 1.00 70.44 C ATOM 238 C LYS A 16 -13.551 25.180 -25.474 1.00 53.24 C ATOM 239 O LYS A 16 -13.238 25.974 -26.362 1.00 0.03 O ATOM 240 CB LYS A 16 -11.576 23.834 -26.210 1.00 44.12 C ATOM 241 CG LYS A 16 -10.360 24.460 -25.548 1.00 71.33 C ATOM 242 CD LYS A 16 -9.736 23.522 -24.528 1.00 53.22 C ATOM 243 CE LYS A 16 -9.099 22.314 -25.198 1.00 12.22 C ATOM 244 NZ LYS A 16 -8.062 21.684 -24.334 1.00 73.05 N ATOM 0 H LYS A 16 -13.686 21.957 -25.026 1.00 3.43 H new ATOM 0 HA LYS A 16 -12.532 23.725 -24.287 1.00 70.44 H new ATOM 0 HB2 LYS A 16 -11.342 22.804 -26.481 1.00 44.12 H new ATOM 0 HB3 LYS A 16 -11.789 24.367 -27.137 1.00 44.12 H new ATOM 0 HG2 LYS A 16 -9.622 24.715 -26.308 1.00 71.33 H new ATOM 0 HG3 LYS A 16 -10.649 25.390 -25.059 1.00 71.33 H new ATOM 0 HD2 LYS A 16 -8.983 24.059 -23.951 1.00 53.22 H new ATOM 0 HD3 LYS A 16 -10.499 23.189 -23.824 1.00 53.22 H new ATOM 0 HE2 LYS A 16 -9.870 21.581 -25.434 1.00 12.22 H new ATOM 0 HE3 LYS A 16 -8.649 22.618 -26.143 1.00 12.22 H new ATOM 0 HZ1 LYS A 16 -7.173 21.596 -24.867 1.00 73.05 H new ATOM 0 HZ2 LYS A 16 -7.905 22.275 -23.493 1.00 73.05 H new ATOM 0 HZ3 LYS A 16 -8.383 20.740 -24.038 1.00 73.05 H new ATOM 258 N ASP A 17 -14.519 25.421 -24.597 1.00 11.10 N ATOM 259 CA ASP A 17 -15.286 26.661 -24.626 1.00 11.12 C ATOM 260 C ASP A 17 -15.241 27.359 -23.270 1.00 55.32 C ATOM 261 O ASP A 17 -15.637 26.789 -22.253 1.00 61.44 O ATOM 262 CB ASP A 17 -16.737 26.380 -25.021 1.00 25.40 C ATOM 263 CG ASP A 17 -17.102 26.993 -26.359 1.00 24.15 C ATOM 264 OD1 ASP A 17 -17.540 28.162 -26.376 1.00 12.34 O ATOM 265 OD2 ASP A 17 -16.948 26.304 -27.388 1.00 70.24 O ATOM 0 H ASP A 17 -14.791 24.774 -23.857 1.00 11.10 H new ATOM 0 HA ASP A 17 -14.837 27.320 -25.369 1.00 11.12 H new ATOM 0 HB2 ASP A 17 -16.897 25.303 -25.062 1.00 25.40 H new ATOM 0 HB3 ASP A 17 -17.402 26.772 -24.252 1.00 25.40 H new ATOM 270 N TYR A 18 -14.757 28.596 -23.263 1.00 42.03 N ATOM 271 CA TYR A 18 -14.657 29.371 -22.032 1.00 71.12 C ATOM 272 C TYR A 18 -15.073 30.820 -22.265 1.00 40.25 C ATOM 273 O TYR A 18 -14.972 31.336 -23.379 1.00 43.24 O ATOM 274 CB TYR A 18 -13.229 29.320 -21.487 1.00 62.01 C ATOM 275 CG TYR A 18 -12.330 30.401 -22.043 1.00 65.32 C ATOM 276 CD1 TYR A 18 -11.751 30.272 -23.300 1.00 1.22 C ATOM 277 CD2 TYR A 18 -12.059 31.551 -21.312 1.00 53.12 C ATOM 278 CE1 TYR A 18 -10.928 31.257 -23.811 1.00 70.13 C ATOM 279 CE2 TYR A 18 -11.239 32.542 -21.816 1.00 62.44 C ATOM 280 CZ TYR A 18 -10.675 32.390 -23.066 1.00 72.41 C ATOM 281 OH TYR A 18 -9.857 33.373 -23.573 1.00 12.43 O ATOM 0 H TYR A 18 -14.428 29.084 -24.096 1.00 42.03 H new ATOM 0 HA TYR A 18 -15.334 28.931 -21.300 1.00 71.12 H new ATOM 0 HB2 TYR A 18 -13.260 29.408 -20.401 1.00 62.01 H new ATOM 0 HB3 TYR A 18 -12.796 28.346 -21.716 1.00 62.01 H new ATOM 0 HD1 TYR A 18 -11.948 29.387 -23.887 1.00 1.22 H new ATOM 0 HD2 TYR A 18 -12.497 31.672 -20.332 1.00 53.12 H new ATOM 0 HE1 TYR A 18 -10.485 31.140 -24.789 1.00 70.13 H new ATOM 0 HE2 TYR A 18 -11.041 33.431 -21.235 1.00 62.44 H new ATOM 0 HH TYR A 18 -9.783 34.104 -22.924 1.00 12.43 H new ATOM 291 N LEU A 19 -15.541 31.472 -21.207 1.00 2.02 N ATOM 292 CA LEU A 19 -15.972 32.863 -21.294 1.00 31.12 C ATOM 293 C LEU A 19 -14.846 33.809 -20.889 1.00 20.43 C ATOM 294 O LEU A 19 -13.948 33.435 -20.134 1.00 32.51 O ATOM 295 CB LEU A 19 -17.194 33.095 -20.403 1.00 42.30 C ATOM 296 CG LEU A 19 -18.549 32.739 -21.016 1.00 3.12 C ATOM 297 CD1 LEU A 19 -18.781 33.531 -22.293 1.00 74.33 C ATOM 298 CD2 LEU A 19 -18.634 31.245 -21.289 1.00 71.42 C ATOM 0 H LEU A 19 -15.632 31.060 -20.278 1.00 2.02 H new ATOM 0 HA LEU A 19 -16.240 33.070 -22.330 1.00 31.12 H new ATOM 0 HB2 LEU A 19 -17.068 32.515 -19.489 1.00 42.30 H new ATOM 0 HB3 LEU A 19 -17.213 34.146 -20.114 1.00 42.30 H new ATOM 0 HG LEU A 19 -19.330 33.002 -20.303 1.00 3.12 H new ATOM 0 HD11 LEU A 19 -19.750 33.265 -22.715 1.00 74.33 H new ATOM 0 HD12 LEU A 19 -18.764 34.597 -22.068 1.00 74.33 H new ATOM 0 HD13 LEU A 19 -17.996 33.299 -23.013 1.00 74.33 H new ATOM 0 HD21 LEU A 19 -19.605 31.009 -21.725 1.00 71.42 H new ATOM 0 HD22 LEU A 19 -17.845 30.957 -21.983 1.00 71.42 H new ATOM 0 HD23 LEU A 19 -18.513 30.697 -20.355 1.00 71.42 H new ATOM 310 N VAL A 20 -14.901 35.037 -21.394 1.00 31.11 N ATOM 311 CA VAL A 20 -13.888 36.038 -21.082 1.00 62.12 C ATOM 312 C VAL A 20 -13.686 36.166 -19.576 1.00 75.35 C ATOM 313 O VAL A 20 -14.645 36.335 -18.824 1.00 24.34 O ATOM 314 CB VAL A 20 -14.265 37.416 -21.658 1.00 4.04 C ATOM 315 CG1 VAL A 20 -13.136 38.413 -21.439 1.00 75.32 C ATOM 316 CG2 VAL A 20 -14.606 37.301 -23.135 1.00 75.44 C ATOM 0 H VAL A 20 -15.637 35.363 -22.021 1.00 31.11 H new ATOM 0 HA VAL A 20 -12.959 35.702 -21.542 1.00 62.12 H new ATOM 0 HB VAL A 20 -15.148 37.781 -21.133 1.00 4.04 H new ATOM 0 HG11 VAL A 20 -13.420 39.381 -21.852 1.00 75.32 H new ATOM 0 HG12 VAL A 20 -12.944 38.517 -20.371 1.00 75.32 H new ATOM 0 HG13 VAL A 20 -12.234 38.057 -21.937 1.00 75.32 H new ATOM 0 HG21 VAL A 20 -14.870 38.284 -23.525 1.00 75.44 H new ATOM 0 HG22 VAL A 20 -13.744 36.914 -23.678 1.00 75.44 H new ATOM 0 HG23 VAL A 20 -15.449 36.622 -23.262 1.00 75.44 H new ATOM 326 N GLY A 21 -12.432 36.084 -19.143 1.00 41.24 N ATOM 327 CA GLY A 21 -12.127 36.193 -17.729 1.00 1.32 C ATOM 328 C GLY A 21 -12.287 34.875 -16.998 1.00 0.11 C ATOM 329 O GLY A 21 -12.005 34.782 -15.803 1.00 70.21 O ATOM 0 H GLY A 21 -11.622 35.944 -19.747 1.00 41.24 H new ATOM 0 HA2 GLY A 21 -11.104 36.550 -17.608 1.00 1.32 H new ATOM 0 HA3 GLY A 21 -12.781 36.938 -17.276 1.00 1.32 H new ATOM 333 N ASP A 22 -12.742 33.854 -17.716 1.00 12.14 N ATOM 334 CA ASP A 22 -12.940 32.534 -17.128 1.00 13.33 C ATOM 335 C ASP A 22 -11.724 31.645 -17.365 1.00 44.34 C ATOM 336 O ASP A 22 -11.562 30.611 -16.717 1.00 43.43 O ATOM 337 CB ASP A 22 -14.191 31.875 -17.711 1.00 40.12 C ATOM 338 CG ASP A 22 -14.850 30.919 -16.737 1.00 24.34 C ATOM 339 OD1 ASP A 22 -15.541 31.396 -15.812 1.00 72.34 O ATOM 340 OD2 ASP A 22 -14.674 29.693 -16.899 1.00 12.14 O ATOM 0 H ASP A 22 -12.981 33.915 -18.706 1.00 12.14 H new ATOM 0 HA ASP A 22 -13.072 32.659 -16.053 1.00 13.33 H new ATOM 0 HB2 ASP A 22 -14.905 32.647 -17.997 1.00 40.12 H new ATOM 0 HB3 ASP A 22 -13.924 31.336 -18.620 1.00 40.12 H new ATOM 345 N SER A 23 -10.871 32.055 -18.300 1.00 34.33 N ATOM 346 CA SER A 23 -9.672 31.293 -18.627 1.00 23.03 C ATOM 347 C SER A 23 -10.035 29.923 -19.192 1.00 12.22 C ATOM 348 O SER A 23 -11.211 29.609 -19.382 1.00 0.01 O ATOM 349 CB SER A 23 -8.793 31.128 -17.386 1.00 5.25 C ATOM 350 OG SER A 23 -9.130 32.080 -16.392 1.00 3.34 O ATOM 0 H SER A 23 -10.989 32.910 -18.843 1.00 34.33 H new ATOM 0 HA SER A 23 -9.118 31.844 -19.386 1.00 23.03 H new ATOM 0 HB2 SER A 23 -8.910 30.121 -16.985 1.00 5.25 H new ATOM 0 HB3 SER A 23 -7.744 31.241 -17.662 1.00 5.25 H new ATOM 0 HG SER A 23 -8.555 31.952 -15.609 1.00 3.34 H new ATOM 356 N LEU A 24 -9.018 29.112 -19.459 1.00 20.33 N ATOM 357 CA LEU A 24 -9.228 27.774 -20.002 1.00 54.44 C ATOM 358 C LEU A 24 -10.315 27.036 -19.227 1.00 41.13 C ATOM 359 O LEU A 24 -10.114 26.645 -18.077 1.00 52.12 O ATOM 360 CB LEU A 24 -7.925 26.975 -19.962 1.00 43.22 C ATOM 361 CG LEU A 24 -6.973 27.184 -21.141 1.00 31.52 C ATOM 362 CD1 LEU A 24 -5.527 27.058 -20.688 1.00 2.54 C ATOM 363 CD2 LEU A 24 -7.274 26.188 -22.252 1.00 22.24 C ATOM 0 H LEU A 24 -8.039 29.357 -19.309 1.00 20.33 H new ATOM 0 HA LEU A 24 -9.552 27.876 -21.038 1.00 54.44 H new ATOM 0 HB2 LEU A 24 -7.395 27.228 -19.044 1.00 43.22 H new ATOM 0 HB3 LEU A 24 -8.174 25.915 -19.905 1.00 43.22 H new ATOM 0 HG LEU A 24 -7.124 28.191 -21.531 1.00 31.52 H new ATOM 0 HD11 LEU A 24 -4.864 27.210 -21.540 1.00 2.54 H new ATOM 0 HD12 LEU A 24 -5.317 27.810 -19.927 1.00 2.54 H new ATOM 0 HD13 LEU A 24 -5.361 26.064 -20.272 1.00 2.54 H new ATOM 0 HD21 LEU A 24 -6.587 26.351 -23.083 1.00 22.24 H new ATOM 0 HD22 LEU A 24 -7.151 25.173 -21.874 1.00 22.24 H new ATOM 0 HD23 LEU A 24 -8.299 26.326 -22.596 1.00 22.24 H new ATOM 375 N ASP A 25 -11.465 26.847 -19.865 1.00 43.22 N ATOM 376 CA ASP A 25 -12.583 26.153 -19.237 1.00 25.51 C ATOM 377 C ASP A 25 -12.862 24.827 -19.939 1.00 12.24 C ATOM 378 O ASP A 25 -13.963 24.599 -20.442 1.00 32.13 O ATOM 379 CB ASP A 25 -13.835 27.031 -19.261 1.00 24.44 C ATOM 380 CG ASP A 25 -14.980 26.427 -18.472 1.00 71.22 C ATOM 381 OD1 ASP A 25 -14.908 26.429 -17.226 1.00 21.13 O ATOM 382 OD2 ASP A 25 -15.949 25.951 -19.102 1.00 5.43 O ATOM 0 H ASP A 25 -11.647 27.165 -20.817 1.00 43.22 H new ATOM 0 HA ASP A 25 -12.315 25.946 -18.201 1.00 25.51 H new ATOM 0 HB2 ASP A 25 -13.595 28.013 -18.853 1.00 24.44 H new ATOM 0 HB3 ASP A 25 -14.149 27.183 -20.294 1.00 24.44 H new ATOM 387 N LEU A 26 -11.859 23.957 -19.970 1.00 20.03 N ATOM 388 CA LEU A 26 -11.996 22.654 -20.611 1.00 31.21 C ATOM 389 C LEU A 26 -12.595 21.634 -19.648 1.00 74.43 C ATOM 390 O LEU A 26 -12.035 21.364 -18.586 1.00 30.10 O ATOM 391 CB LEU A 26 -10.636 22.163 -21.110 1.00 41.30 C ATOM 392 CG LEU A 26 -10.599 20.740 -21.667 1.00 62.13 C ATOM 393 CD1 LEU A 26 -11.171 20.703 -23.076 1.00 32.03 C ATOM 394 CD2 LEU A 26 -9.177 20.199 -21.653 1.00 63.42 C ATOM 0 H LEU A 26 -10.942 24.130 -19.559 1.00 20.03 H new ATOM 0 HA LEU A 26 -12.670 22.764 -21.461 1.00 31.21 H new ATOM 0 HB2 LEU A 26 -10.289 22.845 -21.886 1.00 41.30 H new ATOM 0 HB3 LEU A 26 -9.924 22.228 -20.287 1.00 41.30 H new ATOM 0 HG LEU A 26 -11.215 20.105 -21.030 1.00 62.13 H new ATOM 0 HD11 LEU A 26 -11.136 19.682 -23.456 1.00 32.03 H new ATOM 0 HD12 LEU A 26 -12.205 21.049 -23.058 1.00 32.03 H new ATOM 0 HD13 LEU A 26 -10.582 21.352 -23.725 1.00 32.03 H new ATOM 0 HD21 LEU A 26 -9.170 19.185 -22.053 1.00 63.42 H new ATOM 0 HD22 LEU A 26 -8.539 20.836 -22.266 1.00 63.42 H new ATOM 0 HD23 LEU A 26 -8.802 20.188 -20.630 1.00 63.42 H new ATOM 406 N SER A 27 -13.737 21.068 -20.028 1.00 44.14 N ATOM 407 CA SER A 27 -14.413 20.078 -19.198 1.00 50.33 C ATOM 408 C SER A 27 -14.531 18.745 -19.930 1.00 24.31 C ATOM 409 O SER A 27 -14.450 17.680 -19.318 1.00 13.32 O ATOM 410 CB SER A 27 -15.803 20.579 -18.801 1.00 1.13 C ATOM 411 OG SER A 27 -16.675 20.603 -19.917 1.00 72.53 O ATOM 0 H SER A 27 -14.213 21.278 -20.905 1.00 44.14 H new ATOM 0 HA SER A 27 -13.818 19.927 -18.298 1.00 50.33 H new ATOM 0 HB2 SER A 27 -16.217 19.935 -18.026 1.00 1.13 H new ATOM 0 HB3 SER A 27 -15.724 21.579 -18.376 1.00 1.13 H new ATOM 0 HG SER A 27 -17.557 20.925 -19.636 1.00 72.53 H new ATOM 417 N GLU A 28 -14.721 18.812 -21.244 1.00 14.42 N ATOM 418 CA GLU A 28 -14.851 17.610 -22.059 1.00 40.41 C ATOM 419 C GLU A 28 -13.489 16.966 -22.299 1.00 4.20 C ATOM 420 O GLU A 28 -13.399 15.795 -22.665 1.00 54.12 O ATOM 421 CB GLU A 28 -15.512 17.944 -23.398 1.00 13.31 C ATOM 422 CG GLU A 28 -17.019 18.117 -23.306 1.00 71.01 C ATOM 423 CD GLU A 28 -17.765 16.801 -23.412 1.00 24.22 C ATOM 424 OE1 GLU A 28 -17.226 15.774 -22.948 1.00 41.23 O ATOM 425 OE2 GLU A 28 -18.888 16.798 -23.958 1.00 43.03 O ATOM 0 H GLU A 28 -14.788 19.685 -21.766 1.00 14.42 H new ATOM 0 HA GLU A 28 -15.479 16.902 -21.519 1.00 40.41 H new ATOM 0 HB2 GLU A 28 -15.073 18.861 -23.792 1.00 13.31 H new ATOM 0 HB3 GLU A 28 -15.289 17.151 -24.112 1.00 13.31 H new ATOM 0 HG2 GLU A 28 -17.269 18.597 -22.360 1.00 71.01 H new ATOM 0 HG3 GLU A 28 -17.353 18.785 -24.100 1.00 71.01 H new ATOM 432 N GLY A 29 -12.429 17.741 -22.090 1.00 3.50 N ATOM 433 CA GLY A 29 -11.085 17.230 -22.289 1.00 11.41 C ATOM 434 C GLY A 29 -10.589 16.426 -21.104 1.00 13.14 C ATOM 435 O GLY A 29 -9.616 16.804 -20.452 1.00 2.32 O ATOM 0 H GLY A 29 -12.477 18.714 -21.786 1.00 3.50 H new ATOM 0 HA2 GLY A 29 -11.066 16.605 -23.182 1.00 11.41 H new ATOM 0 HA3 GLY A 29 -10.406 18.063 -22.469 1.00 11.41 H new ATOM 439 N ARG A 30 -11.261 15.314 -20.822 1.00 51.42 N ATOM 440 CA ARG A 30 -10.885 14.456 -19.705 1.00 42.43 C ATOM 441 C ARG A 30 -10.324 13.128 -20.205 1.00 0.10 C ATOM 442 O ARG A 30 -10.832 12.550 -21.166 1.00 41.00 O ATOM 443 CB ARG A 30 -12.091 14.204 -18.799 1.00 53.22 C ATOM 444 CG ARG A 30 -13.059 13.168 -19.347 1.00 63.04 C ATOM 445 CD ARG A 30 -14.502 13.536 -19.041 1.00 40.44 C ATOM 446 NE ARG A 30 -15.439 12.528 -19.528 1.00 74.22 N ATOM 447 CZ ARG A 30 -15.593 11.335 -18.965 1.00 35.15 C ATOM 448 NH1 ARG A 30 -14.876 11.003 -17.900 1.00 12.41 N ATOM 449 NH2 ARG A 30 -16.467 10.471 -19.466 1.00 31.14 N ATOM 0 H ARG A 30 -12.069 14.986 -21.352 1.00 51.42 H new ATOM 0 HA ARG A 30 -10.110 14.966 -19.133 1.00 42.43 H new ATOM 0 HB2 ARG A 30 -11.738 13.877 -17.821 1.00 53.22 H new ATOM 0 HB3 ARG A 30 -12.624 15.143 -18.648 1.00 53.22 H new ATOM 0 HG2 ARG A 30 -12.926 13.079 -20.425 1.00 63.04 H new ATOM 0 HG3 ARG A 30 -12.832 12.193 -18.916 1.00 63.04 H new ATOM 0 HD2 ARG A 30 -14.625 13.655 -17.965 1.00 40.44 H new ATOM 0 HD3 ARG A 30 -14.735 14.498 -19.497 1.00 40.44 H new ATOM 0 HE ARG A 30 -16.006 12.752 -20.345 1.00 74.22 H new ATOM 0 HH11 ARG A 30 -14.204 11.665 -17.511 1.00 12.41 H new ATOM 0 HH12 ARG A 30 -14.996 10.086 -17.470 1.00 12.41 H new ATOM 0 HH21 ARG A 30 -17.021 10.723 -20.284 1.00 31.14 H new ATOM 0 HH22 ARG A 30 -16.584 9.555 -19.033 1.00 31.14 H new ATOM 463 N PHE A 31 -9.273 12.650 -19.546 1.00 53.24 N ATOM 464 CA PHE A 31 -8.642 11.391 -19.924 1.00 52.14 C ATOM 465 C PHE A 31 -8.667 10.401 -18.764 1.00 24.40 C ATOM 466 O PHE A 31 -8.617 10.792 -17.598 1.00 43.35 O ATOM 467 CB PHE A 31 -7.199 11.634 -20.372 1.00 74.45 C ATOM 468 CG PHE A 31 -6.555 12.814 -19.704 1.00 44.11 C ATOM 469 CD1 PHE A 31 -6.677 14.084 -20.244 1.00 3.42 C ATOM 470 CD2 PHE A 31 -5.827 12.654 -18.536 1.00 61.51 C ATOM 471 CE1 PHE A 31 -6.084 15.172 -19.631 1.00 44.11 C ATOM 472 CE2 PHE A 31 -5.232 13.738 -17.919 1.00 21.33 C ATOM 473 CZ PHE A 31 -5.361 14.999 -18.467 1.00 34.24 C ATOM 0 H PHE A 31 -8.841 13.116 -18.748 1.00 53.24 H new ATOM 0 HA PHE A 31 -9.206 10.965 -20.754 1.00 52.14 H new ATOM 0 HB2 PHE A 31 -6.608 10.742 -20.165 1.00 74.45 H new ATOM 0 HB3 PHE A 31 -7.183 11.784 -21.452 1.00 74.45 H new ATOM 0 HD1 PHE A 31 -7.242 14.226 -21.154 1.00 3.42 H new ATOM 0 HD2 PHE A 31 -5.723 11.670 -18.103 1.00 61.51 H new ATOM 0 HE1 PHE A 31 -6.186 16.157 -20.062 1.00 44.11 H new ATOM 0 HE2 PHE A 31 -4.667 13.599 -17.009 1.00 21.33 H new ATOM 0 HZ PHE A 31 -4.898 15.848 -17.986 1.00 34.24 H new ATOM 483 N ALA A 32 -8.745 9.115 -19.093 1.00 5.24 N ATOM 484 CA ALA A 32 -8.774 8.068 -18.079 1.00 52.01 C ATOM 485 C ALA A 32 -7.462 7.292 -18.053 1.00 3.13 C ATOM 486 O ALA A 32 -6.795 7.146 -19.077 1.00 62.41 O ATOM 487 CB ALA A 32 -9.942 7.125 -18.328 1.00 51.24 C ATOM 0 H ALA A 32 -8.789 8.774 -20.053 1.00 5.24 H new ATOM 0 HA ALA A 32 -8.904 8.542 -17.106 1.00 52.01 H new ATOM 0 HB1 ALA A 32 -9.952 6.348 -17.564 1.00 51.24 H new ATOM 0 HB2 ALA A 32 -10.876 7.685 -18.288 1.00 51.24 H new ATOM 0 HB3 ALA A 32 -9.836 6.666 -19.311 1.00 51.24 H new ATOM 493 N VAL A 33 -7.096 6.797 -16.875 1.00 2.04 N ATOM 494 CA VAL A 33 -5.863 6.036 -16.715 1.00 62.50 C ATOM 495 C VAL A 33 -6.119 4.720 -15.988 1.00 13.42 C ATOM 496 O VAL A 33 -6.900 4.667 -15.038 1.00 61.40 O ATOM 497 CB VAL A 33 -4.803 6.840 -15.940 1.00 24.04 C ATOM 498 CG1 VAL A 33 -5.104 6.823 -14.449 1.00 20.33 C ATOM 499 CG2 VAL A 33 -3.411 6.292 -16.217 1.00 2.31 C ATOM 0 H VAL A 33 -7.636 6.910 -16.017 1.00 2.04 H new ATOM 0 HA VAL A 33 -5.488 5.827 -17.717 1.00 62.50 H new ATOM 0 HB VAL A 33 -4.836 7.875 -16.281 1.00 24.04 H new ATOM 0 HG11 VAL A 33 -4.344 7.396 -13.918 1.00 20.33 H new ATOM 0 HG12 VAL A 33 -6.084 7.266 -14.271 1.00 20.33 H new ATOM 0 HG13 VAL A 33 -5.100 5.794 -14.089 1.00 20.33 H new ATOM 0 HG21 VAL A 33 -2.674 6.872 -15.661 1.00 2.31 H new ATOM 0 HG22 VAL A 33 -3.362 5.249 -15.905 1.00 2.31 H new ATOM 0 HG23 VAL A 33 -3.198 6.362 -17.284 1.00 2.31 H new ATOM 509 N ALA A 34 -5.456 3.661 -16.440 1.00 52.33 N ATOM 510 CA ALA A 34 -5.610 2.346 -15.831 1.00 52.02 C ATOM 511 C ALA A 34 -4.391 1.985 -14.989 1.00 71.34 C ATOM 512 O ALA A 34 -3.252 2.191 -15.409 1.00 21.33 O ATOM 513 CB ALA A 34 -5.845 1.292 -16.903 1.00 41.12 C ATOM 0 H ALA A 34 -4.807 3.688 -17.226 1.00 52.33 H new ATOM 0 HA ALA A 34 -6.478 2.377 -15.172 1.00 52.02 H new ATOM 0 HB1 ALA A 34 -5.958 0.315 -16.434 1.00 41.12 H new ATOM 0 HB2 ALA A 34 -6.750 1.534 -17.459 1.00 41.12 H new ATOM 0 HB3 ALA A 34 -4.995 1.271 -17.585 1.00 41.12 H new ATOM 519 N TYR A 35 -4.638 1.446 -13.801 1.00 23.05 N ATOM 520 CA TYR A 35 -3.560 1.059 -12.898 1.00 64.13 C ATOM 521 C TYR A 35 -3.352 -0.452 -12.914 1.00 72.41 C ATOM 522 O TYR A 35 -4.302 -1.219 -13.072 1.00 32.11 O ATOM 523 CB TYR A 35 -3.864 1.528 -11.475 1.00 15.22 C ATOM 524 CG TYR A 35 -2.698 1.377 -10.525 1.00 10.44 C ATOM 525 CD1 TYR A 35 -1.398 1.628 -10.944 1.00 45.13 C ATOM 526 CD2 TYR A 35 -2.897 0.985 -9.207 1.00 22.15 C ATOM 527 CE1 TYR A 35 -0.329 1.491 -10.080 1.00 20.33 C ATOM 528 CE2 TYR A 35 -1.834 0.846 -8.335 1.00 13.45 C ATOM 529 CZ TYR A 35 -0.552 1.100 -8.776 1.00 34.11 C ATOM 530 OH TYR A 35 0.509 0.963 -7.911 1.00 43.22 O ATOM 0 H TYR A 35 -5.575 1.267 -13.440 1.00 23.05 H new ATOM 0 HA TYR A 35 -2.643 1.538 -13.242 1.00 64.13 H new ATOM 0 HB2 TYR A 35 -4.165 2.575 -11.503 1.00 15.22 H new ATOM 0 HB3 TYR A 35 -4.712 0.963 -11.089 1.00 15.22 H new ATOM 0 HD1 TYR A 35 -1.220 1.936 -11.964 1.00 45.13 H new ATOM 0 HD2 TYR A 35 -3.899 0.786 -8.858 1.00 22.15 H new ATOM 0 HE1 TYR A 35 0.676 1.689 -10.423 1.00 20.33 H new ATOM 0 HE2 TYR A 35 -2.006 0.540 -7.314 1.00 13.45 H new ATOM 0 HH TYR A 35 0.180 0.682 -7.032 1.00 43.22 H new ATOM 540 N SER A 36 -2.102 -0.873 -12.749 1.00 33.34 N ATOM 541 CA SER A 36 -1.768 -2.293 -12.747 1.00 5.43 C ATOM 542 C SER A 36 -2.472 -3.015 -11.603 1.00 20.34 C ATOM 543 O SER A 36 -2.586 -4.240 -11.604 1.00 61.25 O ATOM 544 CB SER A 36 -0.254 -2.481 -12.629 1.00 21.10 C ATOM 545 OG SER A 36 0.147 -2.556 -11.272 1.00 33.03 O ATOM 0 H SER A 36 -1.304 -0.252 -12.615 1.00 33.34 H new ATOM 0 HA SER A 36 -2.109 -2.723 -13.689 1.00 5.43 H new ATOM 0 HB2 SER A 36 0.044 -3.391 -13.150 1.00 21.10 H new ATOM 0 HB3 SER A 36 0.258 -1.652 -13.117 1.00 21.10 H new ATOM 0 HG SER A 36 1.118 -2.678 -11.224 1.00 33.03 H new ATOM 551 N ASN A 37 -2.943 -2.246 -10.626 1.00 61.41 N ATOM 552 CA ASN A 37 -3.636 -2.812 -9.474 1.00 71.25 C ATOM 553 C ASN A 37 -5.144 -2.833 -9.703 1.00 53.25 C ATOM 554 O ASN A 37 -5.927 -2.844 -8.753 1.00 23.40 O ATOM 555 CB ASN A 37 -3.311 -2.010 -8.213 1.00 14.12 C ATOM 556 CG ASN A 37 -3.539 -2.810 -6.945 1.00 5.24 C ATOM 557 OD1 ASN A 37 -3.880 -3.991 -6.996 1.00 32.54 O ATOM 558 ND2 ASN A 37 -3.349 -2.167 -5.798 1.00 74.10 N ATOM 0 H ASN A 37 -2.857 -1.230 -10.609 1.00 61.41 H new ATOM 0 HA ASN A 37 -3.292 -3.838 -9.342 1.00 71.25 H new ATOM 0 HB2 ASN A 37 -2.272 -1.683 -8.251 1.00 14.12 H new ATOM 0 HB3 ASN A 37 -3.927 -1.111 -8.188 1.00 14.12 H new ATOM 0 HD21 ASN A 37 -3.486 -2.653 -4.912 1.00 74.10 H new ATOM 0 HD22 ASN A 37 -3.066 -1.187 -5.803 1.00 74.10 H new ATOM 565 N ASP A 38 -5.545 -2.838 -10.970 1.00 43.31 N ATOM 566 CA ASP A 38 -6.959 -2.859 -11.325 1.00 11.32 C ATOM 567 C ASP A 38 -7.674 -1.626 -10.781 1.00 10.30 C ATOM 568 O ASP A 38 -8.491 -1.722 -9.864 1.00 40.44 O ATOM 569 CB ASP A 38 -7.623 -4.127 -10.787 1.00 21.32 C ATOM 570 CG ASP A 38 -8.879 -4.493 -11.553 1.00 40.10 C ATOM 571 OD1 ASP A 38 -8.866 -4.389 -12.797 1.00 41.32 O ATOM 572 OD2 ASP A 38 -9.875 -4.882 -10.908 1.00 74.44 O ATOM 0 H ASP A 38 -4.910 -2.828 -11.768 1.00 43.31 H new ATOM 0 HA ASP A 38 -7.035 -2.851 -12.412 1.00 11.32 H new ATOM 0 HB2 ASP A 38 -6.915 -4.954 -10.839 1.00 21.32 H new ATOM 0 HB3 ASP A 38 -7.871 -3.985 -9.735 1.00 21.32 H new ATOM 577 N THR A 39 -7.361 -0.466 -11.351 1.00 64.43 N ATOM 578 CA THR A 39 -7.971 0.786 -10.923 1.00 22.23 C ATOM 579 C THR A 39 -8.146 1.742 -12.097 1.00 2.32 C ATOM 580 O THR A 39 -7.494 1.596 -13.130 1.00 52.45 O ATOM 581 CB THR A 39 -7.129 1.477 -9.833 1.00 73.13 C ATOM 582 OG1 THR A 39 -6.135 0.575 -9.337 1.00 25.43 O ATOM 583 CG2 THR A 39 -8.011 1.949 -8.687 1.00 3.02 C ATOM 0 H THR A 39 -6.688 -0.368 -12.111 1.00 64.43 H new ATOM 0 HA THR A 39 -8.950 0.537 -10.512 1.00 22.23 H new ATOM 0 HB THR A 39 -6.641 2.345 -10.277 1.00 73.13 H new ATOM 0 HG1 THR A 39 -5.939 0.787 -8.400 1.00 25.43 H new ATOM 0 HG21 THR A 39 -7.395 2.434 -7.930 1.00 3.02 H new ATOM 0 HG22 THR A 39 -8.748 2.658 -9.063 1.00 3.02 H new ATOM 0 HG23 THR A 39 -8.523 1.094 -8.246 1.00 3.02 H new ATOM 591 N MET A 40 -9.029 2.721 -11.930 1.00 11.20 N ATOM 592 CA MET A 40 -9.288 3.703 -12.977 1.00 4.24 C ATOM 593 C MET A 40 -9.477 5.095 -12.382 1.00 24.14 C ATOM 594 O MET A 40 -10.109 5.252 -11.338 1.00 3.24 O ATOM 595 CB MET A 40 -10.527 3.308 -13.782 1.00 23.50 C ATOM 596 CG MET A 40 -10.216 2.896 -15.212 1.00 53.51 C ATOM 597 SD MET A 40 -11.700 2.520 -16.164 1.00 74.13 S ATOM 598 CE MET A 40 -11.589 0.736 -16.274 1.00 64.32 C ATOM 0 H MET A 40 -9.577 2.856 -11.080 1.00 11.20 H new ATOM 0 HA MET A 40 -8.424 3.725 -13.641 1.00 4.24 H new ATOM 0 HB2 MET A 40 -11.031 2.484 -13.277 1.00 23.50 H new ATOM 0 HB3 MET A 40 -11.223 4.147 -13.797 1.00 23.50 H new ATOM 0 HG2 MET A 40 -9.666 3.697 -15.705 1.00 53.51 H new ATOM 0 HG3 MET A 40 -9.565 2.022 -15.201 1.00 53.51 H new ATOM 0 HE1 MET A 40 -12.440 0.353 -16.837 1.00 64.32 H new ATOM 0 HE2 MET A 40 -10.664 0.460 -16.781 1.00 64.32 H new ATOM 0 HE3 MET A 40 -11.595 0.309 -15.271 1.00 64.32 H new ATOM 608 N GLU A 41 -8.924 6.101 -13.053 1.00 33.22 N ATOM 609 CA GLU A 41 -9.032 7.479 -12.588 1.00 72.21 C ATOM 610 C GLU A 41 -9.443 8.407 -13.728 1.00 23.31 C ATOM 611 O GLU A 41 -8.899 8.331 -14.829 1.00 50.21 O ATOM 612 CB GLU A 41 -7.703 7.944 -11.990 1.00 42.34 C ATOM 613 CG GLU A 41 -7.675 7.914 -10.472 1.00 4.25 C ATOM 614 CD GLU A 41 -6.759 8.971 -9.884 1.00 32.30 C ATOM 615 OE1 GLU A 41 -6.943 10.162 -10.208 1.00 44.43 O ATOM 616 OE2 GLU A 41 -5.859 8.605 -9.099 1.00 71.11 O ATOM 0 H GLU A 41 -8.397 5.988 -13.919 1.00 33.22 H new ATOM 0 HA GLU A 41 -9.802 7.517 -11.817 1.00 72.21 H new ATOM 0 HB2 GLU A 41 -6.901 7.312 -12.372 1.00 42.34 H new ATOM 0 HB3 GLU A 41 -7.497 8.959 -12.329 1.00 42.34 H new ATOM 0 HG2 GLU A 41 -8.685 8.061 -10.091 1.00 4.25 H new ATOM 0 HG3 GLU A 41 -7.349 6.929 -10.138 1.00 4.25 H new ATOM 623 N GLU A 42 -10.406 9.281 -13.454 1.00 31.22 N ATOM 624 CA GLU A 42 -10.890 10.222 -14.457 1.00 14.14 C ATOM 625 C GLU A 42 -10.648 11.662 -14.013 1.00 63.03 C ATOM 626 O GLU A 42 -10.851 12.008 -12.849 1.00 32.30 O ATOM 627 CB GLU A 42 -12.382 10.002 -14.717 1.00 30.31 C ATOM 628 CG GLU A 42 -13.273 10.457 -13.574 1.00 13.04 C ATOM 629 CD GLU A 42 -13.729 11.895 -13.726 1.00 53.15 C ATOM 630 OE1 GLU A 42 -13.950 12.328 -14.877 1.00 61.42 O ATOM 631 OE2 GLU A 42 -13.865 12.588 -12.696 1.00 72.35 O ATOM 0 H GLU A 42 -10.866 9.357 -12.547 1.00 31.22 H new ATOM 0 HA GLU A 42 -10.337 10.046 -15.380 1.00 14.14 H new ATOM 0 HB2 GLU A 42 -12.667 10.536 -15.623 1.00 30.31 H new ATOM 0 HB3 GLU A 42 -12.557 8.942 -14.903 1.00 30.31 H new ATOM 0 HG2 GLU A 42 -14.146 9.807 -13.518 1.00 13.04 H new ATOM 0 HG3 GLU A 42 -12.734 10.348 -12.633 1.00 13.04 H new ATOM 638 N HIS A 43 -10.211 12.498 -14.950 1.00 64.31 N ATOM 639 CA HIS A 43 -9.940 13.901 -14.657 1.00 23.41 C ATOM 640 C HIS A 43 -10.071 14.754 -15.915 1.00 33.21 C ATOM 641 O HIS A 43 -9.668 14.340 -17.002 1.00 11.40 O ATOM 642 CB HIS A 43 -8.539 14.058 -14.064 1.00 12.41 C ATOM 643 CG HIS A 43 -8.533 14.209 -12.574 1.00 13.32 C ATOM 644 ND1 HIS A 43 -7.523 13.722 -11.772 1.00 44.21 N ATOM 645 CD2 HIS A 43 -9.422 14.799 -11.740 1.00 62.11 C ATOM 646 CE1 HIS A 43 -7.791 14.004 -10.510 1.00 4.14 C ATOM 647 NE2 HIS A 43 -8.937 14.658 -10.463 1.00 34.30 N ATOM 0 H HIS A 43 -10.037 12.228 -15.918 1.00 64.31 H new ATOM 0 HA HIS A 43 -10.675 14.243 -13.929 1.00 23.41 H new ATOM 0 HB2 HIS A 43 -7.939 13.189 -14.335 1.00 12.41 H new ATOM 0 HB3 HIS A 43 -8.060 14.929 -14.511 1.00 12.41 H new ATOM 0 HD2 HIS A 43 -10.341 15.289 -12.026 1.00 62.11 H new ATOM 0 HE1 HIS A 43 -7.177 13.744 -9.661 1.00 4.14 H new ATOM 0 HE2 HIS A 43 -9.389 15.003 -9.616 1.00 34.30 H new ATOM 655 N SER A 44 -10.639 15.946 -15.759 1.00 61.42 N ATOM 656 CA SER A 44 -10.828 16.855 -16.883 1.00 61.03 C ATOM 657 C SER A 44 -10.090 18.169 -16.649 1.00 2.52 C ATOM 658 O SER A 44 -10.322 18.856 -15.654 1.00 13.32 O ATOM 659 CB SER A 44 -12.318 17.126 -17.103 1.00 24.42 C ATOM 660 OG SER A 44 -13.108 16.061 -16.604 1.00 33.15 O ATOM 0 H SER A 44 -10.976 16.304 -14.865 1.00 61.42 H new ATOM 0 HA SER A 44 -10.417 16.381 -17.774 1.00 61.03 H new ATOM 0 HB2 SER A 44 -12.599 18.055 -16.607 1.00 24.42 H new ATOM 0 HB3 SER A 44 -12.513 17.261 -18.167 1.00 24.42 H new ATOM 0 HG SER A 44 -14.056 16.258 -16.755 1.00 33.15 H new ATOM 666 N PHE A 45 -9.199 18.513 -17.573 1.00 4.34 N ATOM 667 CA PHE A 45 -8.425 19.745 -17.467 1.00 64.33 C ATOM 668 C PHE A 45 -7.993 19.994 -16.025 1.00 64.12 C ATOM 669 O PHE A 45 -8.519 20.880 -15.351 1.00 1.00 O ATOM 670 CB PHE A 45 -9.243 20.932 -17.979 1.00 31.11 C ATOM 671 CG PHE A 45 -8.487 22.230 -17.969 1.00 72.23 C ATOM 672 CD1 PHE A 45 -7.349 22.389 -18.743 1.00 3.31 C ATOM 673 CD2 PHE A 45 -8.915 23.290 -17.187 1.00 52.33 C ATOM 674 CE1 PHE A 45 -6.651 23.582 -18.735 1.00 41.31 C ATOM 675 CE2 PHE A 45 -8.222 24.486 -17.176 1.00 23.02 C ATOM 676 CZ PHE A 45 -7.089 24.632 -17.952 1.00 4.33 C ATOM 0 H PHE A 45 -8.995 17.957 -18.403 1.00 4.34 H new ATOM 0 HA PHE A 45 -7.531 19.637 -18.081 1.00 64.33 H new ATOM 0 HB2 PHE A 45 -9.576 20.722 -18.996 1.00 31.11 H new ATOM 0 HB3 PHE A 45 -10.138 21.037 -17.366 1.00 31.11 H new ATOM 0 HD1 PHE A 45 -7.004 21.572 -19.359 1.00 3.31 H new ATOM 0 HD2 PHE A 45 -9.801 23.181 -16.579 1.00 52.33 H new ATOM 0 HE1 PHE A 45 -5.764 23.693 -19.341 1.00 41.31 H new ATOM 0 HE2 PHE A 45 -8.566 25.305 -16.562 1.00 23.02 H new ATOM 0 HZ PHE A 45 -6.546 25.566 -17.947 1.00 4.33 H new ATOM 686 N THR A 46 -7.030 19.205 -15.557 1.00 53.12 N ATOM 687 CA THR A 46 -6.528 19.338 -14.196 1.00 21.35 C ATOM 688 C THR A 46 -5.169 18.664 -14.043 1.00 0.22 C ATOM 689 O THR A 46 -4.255 19.220 -13.434 1.00 0.25 O ATOM 690 CB THR A 46 -7.507 18.730 -13.174 1.00 32.32 C ATOM 691 OG1 THR A 46 -6.867 18.597 -11.900 1.00 4.30 O ATOM 692 CG2 THR A 46 -8.002 17.370 -13.642 1.00 34.41 C ATOM 0 H THR A 46 -6.583 18.467 -16.101 1.00 53.12 H new ATOM 0 HA THR A 46 -6.426 20.405 -14.000 1.00 21.35 H new ATOM 0 HB THR A 46 -8.362 19.399 -13.082 1.00 32.32 H new ATOM 0 HG1 THR A 46 -7.497 18.211 -11.256 1.00 4.30 H new ATOM 0 HG21 THR A 46 -8.692 16.960 -12.904 1.00 34.41 H new ATOM 0 HG22 THR A 46 -8.515 17.479 -14.598 1.00 34.41 H new ATOM 0 HG23 THR A 46 -7.154 16.695 -13.760 1.00 34.41 H new ATOM 700 N ASP A 47 -5.042 17.465 -14.600 1.00 34.00 N ATOM 701 CA ASP A 47 -3.793 16.716 -14.527 1.00 72.01 C ATOM 702 C ASP A 47 -2.679 17.443 -15.274 1.00 74.24 C ATOM 703 O ASP A 47 -2.909 18.030 -16.331 1.00 13.32 O ATOM 704 CB ASP A 47 -3.981 15.312 -15.105 1.00 42.53 C ATOM 705 CG ASP A 47 -2.673 14.554 -15.221 1.00 0.41 C ATOM 706 OD1 ASP A 47 -1.869 14.610 -14.267 1.00 33.10 O ATOM 707 OD2 ASP A 47 -2.453 13.906 -16.266 1.00 2.33 O ATOM 0 H ASP A 47 -5.789 16.991 -15.107 1.00 34.00 H new ATOM 0 HA ASP A 47 -3.508 16.633 -13.478 1.00 72.01 H new ATOM 0 HB2 ASP A 47 -4.668 14.751 -14.472 1.00 42.53 H new ATOM 0 HB3 ASP A 47 -4.443 15.386 -16.089 1.00 42.53 H new ATOM 712 N GLU A 48 -1.473 17.399 -14.717 1.00 72.12 N ATOM 713 CA GLU A 48 -0.325 18.055 -15.331 1.00 2.32 C ATOM 714 C GLU A 48 0.473 17.072 -16.183 1.00 55.21 C ATOM 715 O GLU A 48 1.679 17.229 -16.367 1.00 13.40 O ATOM 716 CB GLU A 48 0.578 18.663 -14.255 1.00 52.53 C ATOM 717 CG GLU A 48 0.139 20.046 -13.803 1.00 44.44 C ATOM 718 CD GLU A 48 1.311 20.970 -13.532 1.00 31.15 C ATOM 719 OE1 GLU A 48 1.952 21.419 -14.505 1.00 35.13 O ATOM 720 OE2 GLU A 48 1.587 21.244 -12.345 1.00 34.25 O ATOM 0 H GLU A 48 -1.266 16.916 -13.843 1.00 72.12 H new ATOM 0 HA GLU A 48 -0.696 18.851 -15.977 1.00 2.32 H new ATOM 0 HB2 GLU A 48 0.599 17.998 -13.392 1.00 52.53 H new ATOM 0 HB3 GLU A 48 1.597 18.721 -14.638 1.00 52.53 H new ATOM 0 HG2 GLU A 48 -0.499 20.489 -14.568 1.00 44.44 H new ATOM 0 HG3 GLU A 48 -0.464 19.955 -12.899 1.00 44.44 H new ATOM 727 N GLY A 49 -0.212 16.056 -16.701 1.00 3.50 N ATOM 728 CA GLY A 49 0.448 15.062 -17.527 1.00 11.12 C ATOM 729 C GLY A 49 0.366 15.389 -19.005 1.00 2.13 C ATOM 730 O GLY A 49 1.142 14.869 -19.807 1.00 34.10 O ATOM 0 H GLY A 49 -1.211 15.904 -16.563 1.00 3.50 H new ATOM 0 HA2 GLY A 49 1.495 14.986 -17.232 1.00 11.12 H new ATOM 0 HA3 GLY A 49 -0.005 14.087 -17.348 1.00 11.12 H new ATOM 734 N VAL A 50 -0.577 16.253 -19.367 1.00 32.22 N ATOM 735 CA VAL A 50 -0.758 16.648 -20.758 1.00 52.25 C ATOM 736 C VAL A 50 -0.336 18.097 -20.978 1.00 30.44 C ATOM 737 O VAL A 50 -0.548 18.952 -20.118 1.00 73.55 O ATOM 738 CB VAL A 50 -2.223 16.479 -21.204 1.00 62.21 C ATOM 739 CG1 VAL A 50 -2.693 15.052 -20.964 1.00 4.21 C ATOM 740 CG2 VAL A 50 -3.118 17.473 -20.480 1.00 20.22 C ATOM 0 H VAL A 50 -1.227 16.693 -18.716 1.00 32.22 H new ATOM 0 HA VAL A 50 -0.125 15.993 -21.357 1.00 52.25 H new ATOM 0 HB VAL A 50 -2.285 16.681 -22.273 1.00 62.21 H new ATOM 0 HG11 VAL A 50 -3.730 14.952 -21.285 1.00 4.21 H new ATOM 0 HG12 VAL A 50 -2.069 14.363 -21.533 1.00 4.21 H new ATOM 0 HG13 VAL A 50 -2.618 14.818 -19.902 1.00 4.21 H new ATOM 0 HG21 VAL A 50 -4.149 17.340 -20.807 1.00 20.22 H new ATOM 0 HG22 VAL A 50 -3.054 17.305 -19.405 1.00 20.22 H new ATOM 0 HG23 VAL A 50 -2.793 18.488 -20.708 1.00 20.22 H new ATOM 750 N GLU A 51 0.262 18.364 -22.134 1.00 45.40 N ATOM 751 CA GLU A 51 0.715 19.710 -22.466 1.00 12.54 C ATOM 752 C GLU A 51 0.191 20.139 -23.833 1.00 61.03 C ATOM 753 O GLU A 51 0.446 19.480 -24.842 1.00 24.24 O ATOM 754 CB GLU A 51 2.243 19.777 -22.449 1.00 3.53 C ATOM 755 CG GLU A 51 2.843 19.636 -21.060 1.00 4.41 C ATOM 756 CD GLU A 51 3.861 20.718 -20.751 1.00 75.13 C ATOM 757 OE1 GLU A 51 4.733 20.972 -21.608 1.00 3.33 O ATOM 758 OE2 GLU A 51 3.784 21.309 -19.654 1.00 42.43 O ATOM 0 H GLU A 51 0.444 17.667 -22.856 1.00 45.40 H new ATOM 0 HA GLU A 51 0.321 20.394 -21.714 1.00 12.54 H new ATOM 0 HB2 GLU A 51 2.640 18.989 -23.089 1.00 3.53 H new ATOM 0 HB3 GLU A 51 2.561 20.727 -22.878 1.00 3.53 H new ATOM 0 HG2 GLU A 51 2.045 19.671 -20.318 1.00 4.41 H new ATOM 0 HG3 GLU A 51 3.318 18.659 -20.971 1.00 4.41 H new ATOM 765 N ILE A 52 -0.543 21.246 -23.859 1.00 3.41 N ATOM 766 CA ILE A 52 -1.102 21.763 -25.102 1.00 2.22 C ATOM 767 C ILE A 52 -0.288 22.943 -25.622 1.00 12.42 C ATOM 768 O ILE A 52 0.141 23.802 -24.851 1.00 50.35 O ATOM 769 CB ILE A 52 -2.566 22.204 -24.920 1.00 12.11 C ATOM 770 CG1 ILE A 52 -3.487 20.983 -24.872 1.00 52.25 C ATOM 771 CG2 ILE A 52 -2.980 23.143 -26.043 1.00 50.20 C ATOM 772 CD1 ILE A 52 -3.355 20.176 -23.600 1.00 15.01 C ATOM 0 H ILE A 52 -0.765 21.802 -23.033 1.00 3.41 H new ATOM 0 HA ILE A 52 -1.063 20.950 -25.827 1.00 2.22 H new ATOM 0 HB ILE A 52 -2.654 22.739 -23.975 1.00 12.11 H new ATOM 0 HG12 ILE A 52 -4.520 21.313 -24.977 1.00 52.25 H new ATOM 0 HG13 ILE A 52 -3.269 20.340 -25.725 1.00 52.25 H new ATOM 0 HG21 ILE A 52 -4.017 23.446 -25.900 1.00 50.20 H new ATOM 0 HG22 ILE A 52 -2.340 24.025 -26.034 1.00 50.20 H new ATOM 0 HG23 ILE A 52 -2.880 22.632 -27.000 1.00 50.20 H new ATOM 0 HD11 ILE A 52 -4.037 19.326 -23.636 1.00 15.01 H new ATOM 0 HD12 ILE A 52 -2.331 19.815 -23.503 1.00 15.01 H new ATOM 0 HD13 ILE A 52 -3.602 20.804 -22.744 1.00 15.01 H new ATOM 784 N SER A 53 -0.081 22.980 -26.934 1.00 71.13 N ATOM 785 CA SER A 53 0.683 24.054 -27.558 1.00 52.00 C ATOM 786 C SER A 53 -0.089 24.664 -28.724 1.00 74.41 C ATOM 787 O SER A 53 -0.941 24.013 -29.327 1.00 74.52 O ATOM 788 CB SER A 53 2.035 23.530 -28.045 1.00 41.24 C ATOM 789 OG SER A 53 3.093 24.367 -27.611 1.00 52.31 O ATOM 0 H SER A 53 -0.432 22.278 -27.586 1.00 71.13 H new ATOM 0 HA SER A 53 0.850 24.830 -26.810 1.00 52.00 H new ATOM 0 HB2 SER A 53 2.192 22.518 -27.672 1.00 41.24 H new ATOM 0 HB3 SER A 53 2.036 23.473 -29.133 1.00 41.24 H new ATOM 0 HG SER A 53 3.946 24.009 -27.934 1.00 52.31 H new ATOM 795 N GLY A 54 0.216 25.920 -29.036 1.00 32.31 N ATOM 796 CA GLY A 54 -0.458 26.598 -30.128 1.00 63.41 C ATOM 797 C GLY A 54 -1.564 27.515 -29.647 1.00 34.23 C ATOM 798 O GLY A 54 -1.982 28.425 -30.364 1.00 20.54 O ATOM 0 H GLY A 54 0.918 26.480 -28.552 1.00 32.31 H new ATOM 0 HA2 GLY A 54 0.270 27.178 -30.695 1.00 63.41 H new ATOM 0 HA3 GLY A 54 -0.876 25.857 -30.809 1.00 63.41 H new ATOM 802 N TYR A 55 -2.042 27.275 -28.431 1.00 1.24 N ATOM 803 CA TYR A 55 -3.110 28.084 -27.856 1.00 10.32 C ATOM 804 C TYR A 55 -2.540 29.268 -27.080 1.00 22.30 C ATOM 805 O TYR A 55 -1.647 29.107 -26.248 1.00 65.32 O ATOM 806 CB TYR A 55 -3.986 27.232 -26.936 1.00 62.52 C ATOM 807 CG TYR A 55 -4.288 27.888 -25.608 1.00 61.01 C ATOM 808 CD1 TYR A 55 -5.373 28.744 -25.464 1.00 62.15 C ATOM 809 CD2 TYR A 55 -3.489 27.651 -24.496 1.00 43.33 C ATOM 810 CE1 TYR A 55 -5.652 29.346 -24.253 1.00 41.41 C ATOM 811 CE2 TYR A 55 -3.761 28.248 -23.281 1.00 12.25 C ATOM 812 CZ TYR A 55 -4.843 29.095 -23.164 1.00 55.22 C ATOM 813 OH TYR A 55 -5.119 29.692 -21.955 1.00 50.34 O ATOM 0 H TYR A 55 -1.707 26.527 -27.824 1.00 1.24 H new ATOM 0 HA TYR A 55 -3.720 28.468 -28.674 1.00 10.32 H new ATOM 0 HB2 TYR A 55 -4.925 27.011 -27.444 1.00 62.52 H new ATOM 0 HB3 TYR A 55 -3.489 26.279 -26.756 1.00 62.52 H new ATOM 0 HD1 TYR A 55 -6.009 28.942 -26.314 1.00 62.15 H new ATOM 0 HD2 TYR A 55 -2.641 26.988 -24.584 1.00 43.33 H new ATOM 0 HE1 TYR A 55 -6.499 30.010 -24.159 1.00 41.41 H new ATOM 0 HE2 TYR A 55 -3.130 28.053 -22.427 1.00 12.25 H new ATOM 0 HH TYR A 55 -6.028 30.058 -21.971 1.00 50.34 H new ATOM 823 N ASP A 56 -3.063 30.456 -27.358 1.00 55.42 N ATOM 824 CA ASP A 56 -2.609 31.668 -26.686 1.00 52.32 C ATOM 825 C ASP A 56 -3.610 32.107 -25.622 1.00 1.03 C ATOM 826 O ASP A 56 -4.690 32.605 -25.938 1.00 63.05 O ATOM 827 CB ASP A 56 -2.401 32.793 -27.702 1.00 25.40 C ATOM 828 CG ASP A 56 -1.037 32.731 -28.362 1.00 31.20 C ATOM 829 OD1 ASP A 56 -0.030 32.604 -27.634 1.00 32.12 O ATOM 830 OD2 ASP A 56 -0.977 32.809 -29.607 1.00 21.43 O ATOM 0 H ASP A 56 -3.802 30.606 -28.044 1.00 55.42 H new ATOM 0 HA ASP A 56 -1.659 31.449 -26.198 1.00 52.32 H new ATOM 0 HB2 ASP A 56 -3.175 32.735 -28.467 1.00 25.40 H new ATOM 0 HB3 ASP A 56 -2.517 33.755 -27.203 1.00 25.40 H new ATOM 835 N ALA A 57 -3.243 31.917 -24.358 1.00 54.43 N ATOM 836 CA ALA A 57 -4.108 32.294 -23.247 1.00 52.32 C ATOM 837 C ALA A 57 -4.517 33.760 -23.343 1.00 10.35 C ATOM 838 O ALA A 57 -5.642 34.123 -22.999 1.00 44.40 O ATOM 839 CB ALA A 57 -3.413 32.023 -21.921 1.00 45.45 C ATOM 0 H ALA A 57 -2.353 31.504 -24.079 1.00 54.43 H new ATOM 0 HA ALA A 57 -5.012 31.688 -23.301 1.00 52.32 H new ATOM 0 HB1 ALA A 57 -4.071 32.309 -21.100 1.00 45.45 H new ATOM 0 HB2 ALA A 57 -3.177 30.962 -21.844 1.00 45.45 H new ATOM 0 HB3 ALA A 57 -2.492 32.604 -21.867 1.00 45.45 H new ATOM 845 N GLN A 58 -3.597 34.597 -23.810 1.00 45.30 N ATOM 846 CA GLN A 58 -3.862 36.024 -23.949 1.00 12.35 C ATOM 847 C GLN A 58 -4.309 36.360 -25.368 1.00 34.45 C ATOM 848 O GLN A 58 -4.147 37.489 -25.831 1.00 32.22 O ATOM 849 CB GLN A 58 -2.615 36.834 -23.589 1.00 70.04 C ATOM 850 CG GLN A 58 -2.431 37.037 -22.094 1.00 54.42 C ATOM 851 CD GLN A 58 -1.392 38.093 -21.772 1.00 61.21 C ATOM 852 OE1 GLN A 58 -1.216 39.056 -22.519 1.00 62.43 O ATOM 853 NE2 GLN A 58 -0.696 37.917 -20.655 1.00 14.54 N ATOM 0 H GLN A 58 -2.661 34.312 -24.099 1.00 45.30 H new ATOM 0 HA GLN A 58 -4.667 36.286 -23.263 1.00 12.35 H new ATOM 0 HB2 GLN A 58 -1.736 36.329 -23.989 1.00 70.04 H new ATOM 0 HB3 GLN A 58 -2.672 37.808 -24.075 1.00 70.04 H new ATOM 0 HG2 GLN A 58 -3.384 37.324 -21.650 1.00 54.42 H new ATOM 0 HG3 GLN A 58 -2.137 36.092 -21.636 1.00 54.42 H new ATOM 0 HE21 GLN A 58 -0.875 37.104 -20.065 1.00 14.54 H new ATOM 0 HE22 GLN A 58 0.018 38.595 -20.387 1.00 14.54 H new ATOM 862 N LYS A 59 -4.873 35.371 -26.054 1.00 1.30 N ATOM 863 CA LYS A 59 -5.345 35.560 -27.421 1.00 1.35 C ATOM 864 C LYS A 59 -6.096 34.327 -27.912 1.00 54.30 C ATOM 865 O LYS A 59 -5.546 33.501 -28.641 1.00 31.14 O ATOM 866 CB LYS A 59 -4.168 35.858 -28.352 1.00 2.20 C ATOM 867 CG LYS A 59 -4.588 36.387 -29.712 1.00 45.35 C ATOM 868 CD LYS A 59 -3.389 36.848 -30.525 1.00 53.05 C ATOM 869 CE LYS A 59 -3.194 35.990 -31.766 1.00 55.12 C ATOM 870 NZ LYS A 59 -1.768 35.947 -32.192 1.00 72.41 N ATOM 0 H LYS A 59 -5.014 34.430 -25.686 1.00 1.30 H new ATOM 0 HA LYS A 59 -6.030 36.408 -27.429 1.00 1.35 H new ATOM 0 HB2 LYS A 59 -3.513 36.587 -27.874 1.00 2.20 H new ATOM 0 HB3 LYS A 59 -3.585 34.947 -28.490 1.00 2.20 H new ATOM 0 HG2 LYS A 59 -5.121 35.608 -30.258 1.00 45.35 H new ATOM 0 HG3 LYS A 59 -5.282 37.217 -29.582 1.00 45.35 H new ATOM 0 HD2 LYS A 59 -3.526 37.889 -30.819 1.00 53.05 H new ATOM 0 HD3 LYS A 59 -2.492 36.806 -29.908 1.00 53.05 H new ATOM 0 HE2 LYS A 59 -3.544 34.977 -31.566 1.00 55.12 H new ATOM 0 HE3 LYS A 59 -3.804 36.383 -32.579 1.00 55.12 H new ATOM 0 HZ1 LYS A 59 -1.677 35.353 -33.040 1.00 72.41 H new ATOM 0 HZ2 LYS A 59 -1.441 36.910 -32.407 1.00 72.41 H new ATOM 0 HZ3 LYS A 59 -1.189 35.548 -31.426 1.00 72.41 H new ATOM 884 N THR A 60 -7.358 34.209 -27.510 1.00 52.51 N ATOM 885 CA THR A 60 -8.185 33.078 -27.910 1.00 32.11 C ATOM 886 C THR A 60 -9.099 33.448 -29.072 1.00 52.33 C ATOM 887 O THR A 60 -9.040 34.563 -29.590 1.00 74.42 O ATOM 888 CB THR A 60 -9.045 32.569 -26.738 1.00 20.43 C ATOM 889 OG1 THR A 60 -9.752 33.660 -26.138 1.00 4.21 O ATOM 890 CG2 THR A 60 -8.181 31.881 -25.691 1.00 42.23 C ATOM 0 H THR A 60 -7.829 34.884 -26.907 1.00 52.51 H new ATOM 0 HA THR A 60 -7.505 32.286 -28.224 1.00 32.11 H new ATOM 0 HB THR A 60 -9.760 31.845 -27.129 1.00 20.43 H new ATOM 0 HG1 THR A 60 -10.118 33.377 -25.274 1.00 4.21 H new ATOM 0 HG21 THR A 60 -8.810 31.530 -24.873 1.00 42.23 H new ATOM 0 HG22 THR A 60 -7.667 31.033 -26.143 1.00 42.23 H new ATOM 0 HG23 THR A 60 -7.445 32.587 -25.305 1.00 42.23 H new ATOM 898 N GLY A 61 -9.945 32.506 -29.478 1.00 30.22 N ATOM 899 CA GLY A 61 -10.860 32.753 -30.576 1.00 52.45 C ATOM 900 C GLY A 61 -10.444 32.043 -31.849 1.00 43.32 C ATOM 901 O GLY A 61 -9.717 32.603 -32.671 1.00 22.44 O ATOM 0 H GLY A 61 -10.013 31.576 -29.065 1.00 30.22 H new ATOM 0 HA2 GLY A 61 -11.860 32.426 -30.292 1.00 52.45 H new ATOM 0 HA3 GLY A 61 -10.916 33.825 -30.764 1.00 52.45 H new ATOM 905 N ARG A 62 -10.903 30.807 -32.013 1.00 14.11 N ATOM 906 CA ARG A 62 -10.572 30.019 -33.193 1.00 64.35 C ATOM 907 C ARG A 62 -9.077 29.717 -33.243 1.00 44.02 C ATOM 908 O ARG A 62 -8.428 29.917 -34.270 1.00 2.45 O ATOM 909 CB ARG A 62 -10.996 30.759 -34.463 1.00 61.12 C ATOM 910 CG ARG A 62 -11.167 29.850 -35.670 1.00 0.35 C ATOM 911 CD ARG A 62 -10.041 30.040 -36.674 1.00 30.21 C ATOM 912 NE ARG A 62 -10.501 29.872 -38.050 1.00 1.11 N ATOM 913 CZ ARG A 62 -9.704 29.969 -39.108 1.00 40.41 C ATOM 914 NH1 ARG A 62 -8.414 30.232 -38.949 1.00 31.41 N ATOM 915 NH2 ARG A 62 -10.197 29.804 -40.329 1.00 21.21 N ATOM 0 H ARG A 62 -11.506 30.330 -31.343 1.00 14.11 H new ATOM 0 HA ARG A 62 -11.115 29.076 -33.132 1.00 64.35 H new ATOM 0 HB2 ARG A 62 -11.935 31.278 -34.274 1.00 61.12 H new ATOM 0 HB3 ARG A 62 -10.252 31.521 -34.695 1.00 61.12 H new ATOM 0 HG2 ARG A 62 -11.193 28.810 -35.343 1.00 0.35 H new ATOM 0 HG3 ARG A 62 -12.123 30.057 -36.150 1.00 0.35 H new ATOM 0 HD2 ARG A 62 -9.612 31.035 -36.554 1.00 30.21 H new ATOM 0 HD3 ARG A 62 -9.246 29.323 -36.467 1.00 30.21 H new ATOM 0 HE ARG A 62 -11.488 29.669 -38.207 1.00 1.11 H new ATOM 0 HH11 ARG A 62 -8.031 30.360 -38.012 1.00 31.41 H new ATOM 0 HH12 ARG A 62 -7.804 30.306 -39.763 1.00 31.41 H new ATOM 0 HH21 ARG A 62 -11.189 29.603 -40.456 1.00 21.21 H new ATOM 0 HH22 ARG A 62 -9.584 29.879 -41.141 1.00 21.21 H new ATOM 929 N GLN A 63 -8.538 29.235 -32.128 1.00 1.43 N ATOM 930 CA GLN A 63 -7.120 28.908 -32.045 1.00 25.34 C ATOM 931 C GLN A 63 -6.911 27.397 -32.001 1.00 13.53 C ATOM 932 O GLN A 63 -7.703 26.667 -31.404 1.00 14.31 O ATOM 933 CB GLN A 63 -6.496 29.556 -30.807 1.00 53.54 C ATOM 934 CG GLN A 63 -6.941 30.993 -30.585 1.00 2.04 C ATOM 935 CD GLN A 63 -6.528 31.914 -31.716 1.00 74.31 C ATOM 936 OE1 GLN A 63 -5.917 31.480 -32.693 1.00 54.23 O ATOM 937 NE2 GLN A 63 -6.861 33.193 -31.590 1.00 12.01 N ATOM 0 H GLN A 63 -9.062 29.062 -31.270 1.00 1.43 H new ATOM 0 HA GLN A 63 -6.631 29.299 -32.937 1.00 25.34 H new ATOM 0 HB2 GLN A 63 -6.753 28.964 -29.928 1.00 53.54 H new ATOM 0 HB3 GLN A 63 -5.410 29.531 -30.902 1.00 53.54 H new ATOM 0 HG2 GLN A 63 -8.025 31.021 -30.477 1.00 2.04 H new ATOM 0 HG3 GLN A 63 -6.518 31.360 -29.650 1.00 2.04 H new ATOM 0 HE21 GLN A 63 -7.368 33.509 -30.763 1.00 12.01 H new ATOM 0 HE22 GLN A 63 -6.610 33.860 -32.320 1.00 12.01 H new ATOM 946 N THR A 64 -5.840 26.934 -32.637 1.00 72.14 N ATOM 947 CA THR A 64 -5.528 25.511 -32.673 1.00 35.45 C ATOM 948 C THR A 64 -4.839 25.067 -31.388 1.00 24.03 C ATOM 949 O THR A 64 -4.168 25.860 -30.725 1.00 63.24 O ATOM 950 CB THR A 64 -4.627 25.162 -33.872 1.00 53.43 C ATOM 951 OG1 THR A 64 -5.176 25.715 -35.074 1.00 1.42 O ATOM 952 CG2 THR A 64 -4.483 23.655 -34.021 1.00 51.43 C ATOM 0 H THR A 64 -5.173 27.524 -33.135 1.00 72.14 H new ATOM 0 HA THR A 64 -6.476 24.983 -32.776 1.00 35.45 H new ATOM 0 HB THR A 64 -3.640 25.589 -33.693 1.00 53.43 H new ATOM 0 HG1 THR A 64 -4.597 25.490 -35.832 1.00 1.42 H new ATOM 0 HG21 THR A 64 -3.842 23.433 -34.874 1.00 51.43 H new ATOM 0 HG22 THR A 64 -4.038 23.241 -33.116 1.00 51.43 H new ATOM 0 HG23 THR A 64 -5.465 23.210 -34.179 1.00 51.43 H new ATOM 960 N LEU A 65 -5.006 23.796 -31.040 1.00 75.22 N ATOM 961 CA LEU A 65 -4.399 23.246 -29.834 1.00 24.25 C ATOM 962 C LEU A 65 -3.973 21.797 -30.050 1.00 43.21 C ATOM 963 O LEU A 65 -4.703 21.006 -30.649 1.00 3.33 O ATOM 964 CB LEU A 65 -5.377 23.332 -28.661 1.00 72.20 C ATOM 965 CG LEU A 65 -5.813 24.739 -28.252 1.00 42.42 C ATOM 966 CD1 LEU A 65 -7.059 25.156 -29.017 1.00 73.33 C ATOM 967 CD2 LEU A 65 -6.058 24.807 -26.752 1.00 32.01 C ATOM 0 H LEU A 65 -5.557 23.127 -31.577 1.00 75.22 H new ATOM 0 HA LEU A 65 -3.512 23.836 -29.603 1.00 24.25 H new ATOM 0 HB2 LEU A 65 -6.268 22.757 -28.914 1.00 72.20 H new ATOM 0 HB3 LEU A 65 -4.920 22.849 -27.797 1.00 72.20 H new ATOM 0 HG LEU A 65 -5.010 25.433 -28.500 1.00 42.42 H new ATOM 0 HD11 LEU A 65 -7.354 26.160 -28.712 1.00 73.33 H new ATOM 0 HD12 LEU A 65 -6.849 25.148 -30.087 1.00 73.33 H new ATOM 0 HD13 LEU A 65 -7.869 24.459 -28.801 1.00 73.33 H new ATOM 0 HD21 LEU A 65 -6.368 25.816 -26.479 1.00 32.01 H new ATOM 0 HD22 LEU A 65 -6.842 24.101 -26.479 1.00 32.01 H new ATOM 0 HD23 LEU A 65 -5.140 24.553 -26.222 1.00 32.01 H new ATOM 979 N THR A 66 -2.786 21.454 -29.557 1.00 55.41 N ATOM 980 CA THR A 66 -2.263 20.101 -29.695 1.00 55.15 C ATOM 981 C THR A 66 -1.711 19.587 -28.371 1.00 44.31 C ATOM 982 O THR A 66 -0.675 20.055 -27.895 1.00 51.34 O ATOM 983 CB THR A 66 -1.155 20.034 -30.762 1.00 64.34 C ATOM 984 OG1 THR A 66 -1.167 21.225 -31.558 1.00 22.54 O ATOM 985 CG2 THR A 66 -1.339 18.818 -31.658 1.00 65.10 C ATOM 0 H THR A 66 -2.169 22.096 -29.059 1.00 55.41 H new ATOM 0 HA THR A 66 -3.096 19.470 -30.007 1.00 55.15 H new ATOM 0 HB THR A 66 -0.196 19.948 -30.252 1.00 64.34 H new ATOM 0 HG1 THR A 66 -0.458 21.175 -32.233 1.00 22.54 H new ATOM 0 HG21 THR A 66 -0.545 18.792 -32.404 1.00 65.10 H new ATOM 0 HG22 THR A 66 -1.299 17.912 -31.054 1.00 65.10 H new ATOM 0 HG23 THR A 66 -2.305 18.878 -32.159 1.00 65.10 H new ATOM 993 N LEU A 67 -2.406 18.622 -27.780 1.00 1.33 N ATOM 994 CA LEU A 67 -1.984 18.044 -26.509 1.00 24.51 C ATOM 995 C LEU A 67 -1.172 16.772 -26.733 1.00 32.52 C ATOM 996 O LEU A 67 -1.569 15.897 -27.503 1.00 73.32 O ATOM 997 CB LEU A 67 -3.202 17.738 -25.635 1.00 45.03 C ATOM 998 CG LEU A 67 -3.837 16.361 -25.828 1.00 32.21 C ATOM 999 CD1 LEU A 67 -3.135 15.323 -24.966 1.00 43.30 C ATOM 1000 CD2 LEU A 67 -5.323 16.409 -25.503 1.00 11.01 C ATOM 0 H LEU A 67 -3.264 18.223 -28.160 1.00 1.33 H new ATOM 0 HA LEU A 67 -1.353 18.772 -25.999 1.00 24.51 H new ATOM 0 HB2 LEU A 67 -2.909 17.837 -24.590 1.00 45.03 H new ATOM 0 HB3 LEU A 67 -3.961 18.496 -25.826 1.00 45.03 H new ATOM 0 HG LEU A 67 -3.722 16.073 -26.873 1.00 32.21 H new ATOM 0 HD11 LEU A 67 -3.601 14.349 -25.117 1.00 43.30 H new ATOM 0 HD12 LEU A 67 -2.083 15.269 -25.246 1.00 43.30 H new ATOM 0 HD13 LEU A 67 -3.217 15.606 -23.917 1.00 43.30 H new ATOM 0 HD21 LEU A 67 -5.759 15.420 -25.646 1.00 11.01 H new ATOM 0 HD22 LEU A 67 -5.459 16.719 -24.467 1.00 11.01 H new ATOM 0 HD23 LEU A 67 -5.817 17.122 -26.163 1.00 11.01 H new ATOM 1012 N HIS A 68 -0.034 16.674 -26.053 1.00 12.23 N ATOM 1013 CA HIS A 68 0.832 15.507 -26.175 1.00 43.32 C ATOM 1014 C HIS A 68 1.086 14.873 -24.811 1.00 10.43 C ATOM 1015 O HIS A 68 1.754 15.458 -23.958 1.00 43.41 O ATOM 1016 CB HIS A 68 2.161 15.898 -26.824 1.00 35.20 C ATOM 1017 CG HIS A 68 2.746 14.821 -27.685 1.00 52.33 C ATOM 1018 ND1 HIS A 68 2.262 14.515 -28.940 1.00 33.35 N ATOM 1019 CD2 HIS A 68 3.782 13.979 -27.467 1.00 64.33 C ATOM 1020 CE1 HIS A 68 2.974 13.529 -29.455 1.00 21.30 C ATOM 1021 NE2 HIS A 68 3.904 13.186 -28.582 1.00 33.53 N ATOM 0 H HIS A 68 0.310 17.389 -25.412 1.00 12.23 H new ATOM 0 HA HIS A 68 0.328 14.776 -26.807 1.00 43.32 H new ATOM 0 HB2 HIS A 68 2.012 16.793 -27.427 1.00 35.20 H new ATOM 0 HB3 HIS A 68 2.876 16.156 -26.042 1.00 35.20 H new ATOM 0 HD2 HIS A 68 4.398 13.938 -26.581 1.00 64.33 H new ATOM 0 HE1 HIS A 68 2.822 13.080 -30.425 1.00 21.30 H new ATOM 0 HE2 HIS A 68 4.600 12.452 -28.714 1.00 33.53 H new ATOM 1029 N TYR A 69 0.548 13.675 -24.611 1.00 51.43 N ATOM 1030 CA TYR A 69 0.713 12.964 -23.349 1.00 62.25 C ATOM 1031 C TYR A 69 0.929 11.473 -23.589 1.00 70.42 C ATOM 1032 O TYR A 69 0.128 10.818 -24.256 1.00 13.51 O ATOM 1033 CB TYR A 69 -0.510 13.176 -22.456 1.00 1.32 C ATOM 1034 CG TYR A 69 -0.513 12.309 -21.217 1.00 41.12 C ATOM 1035 CD1 TYR A 69 0.653 12.095 -20.492 1.00 73.01 C ATOM 1036 CD2 TYR A 69 -1.682 11.705 -20.772 1.00 30.34 C ATOM 1037 CE1 TYR A 69 0.655 11.303 -19.360 1.00 75.24 C ATOM 1038 CE2 TYR A 69 -1.690 10.912 -19.640 1.00 41.11 C ATOM 1039 CZ TYR A 69 -0.519 10.714 -18.938 1.00 71.23 C ATOM 1040 OH TYR A 69 -0.522 9.925 -17.811 1.00 3.13 O ATOM 0 H TYR A 69 -0.006 13.176 -25.307 1.00 51.43 H new ATOM 0 HA TYR A 69 1.594 13.365 -22.848 1.00 62.25 H new ATOM 0 HB2 TYR A 69 -0.554 14.223 -22.157 1.00 1.32 H new ATOM 0 HB3 TYR A 69 -1.411 12.972 -23.034 1.00 1.32 H new ATOM 0 HD1 TYR A 69 1.573 12.556 -20.819 1.00 73.01 H new ATOM 0 HD2 TYR A 69 -2.600 11.858 -21.320 1.00 30.34 H new ATOM 0 HE1 TYR A 69 1.570 11.146 -18.809 1.00 75.24 H new ATOM 0 HE2 TYR A 69 -2.608 10.450 -19.307 1.00 41.11 H new ATOM 0 HH TYR A 69 -1.428 9.587 -17.650 1.00 3.13 H new ATOM 1050 N GLN A 70 2.017 10.943 -23.040 1.00 21.04 N ATOM 1051 CA GLN A 70 2.339 9.529 -23.193 1.00 50.23 C ATOM 1052 C GLN A 70 2.502 9.165 -24.665 1.00 61.13 C ATOM 1053 O GLN A 70 2.330 8.010 -25.052 1.00 62.20 O ATOM 1054 CB GLN A 70 1.248 8.664 -22.560 1.00 1.25 C ATOM 1055 CG GLN A 70 1.701 7.937 -21.304 1.00 2.02 C ATOM 1056 CD GLN A 70 1.475 6.440 -21.382 1.00 54.14 C ATOM 1057 OE1 GLN A 70 1.494 5.854 -22.465 1.00 34.30 O ATOM 1058 NE2 GLN A 70 1.258 5.813 -20.232 1.00 65.32 N ATOM 0 H GLN A 70 2.690 11.471 -22.485 1.00 21.04 H new ATOM 0 HA GLN A 70 3.284 9.340 -22.683 1.00 50.23 H new ATOM 0 HB2 GLN A 70 0.392 9.294 -22.317 1.00 1.25 H new ATOM 0 HB3 GLN A 70 0.907 7.931 -23.291 1.00 1.25 H new ATOM 0 HG2 GLN A 70 2.760 8.132 -21.138 1.00 2.02 H new ATOM 0 HG3 GLN A 70 1.164 8.337 -20.444 1.00 2.02 H new ATOM 0 HE21 GLN A 70 1.251 6.339 -19.358 1.00 65.32 H new ATOM 0 HE22 GLN A 70 1.098 4.806 -20.223 1.00 65.32 H new ATOM 1067 N GLY A 71 2.835 10.159 -25.483 1.00 11.42 N ATOM 1068 CA GLY A 71 3.015 9.923 -26.903 1.00 41.23 C ATOM 1069 C GLY A 71 1.755 10.196 -27.701 1.00 3.12 C ATOM 1070 O GLY A 71 1.817 10.453 -28.904 1.00 35.43 O ATOM 0 H GLY A 71 2.983 11.124 -25.187 1.00 11.42 H new ATOM 0 HA2 GLY A 71 3.821 10.556 -27.274 1.00 41.23 H new ATOM 0 HA3 GLY A 71 3.324 8.890 -27.060 1.00 41.23 H new ATOM 1074 N HIS A 72 0.609 10.139 -27.031 1.00 14.53 N ATOM 1075 CA HIS A 72 -0.672 10.382 -27.685 1.00 71.34 C ATOM 1076 C HIS A 72 -0.838 11.860 -28.024 1.00 71.03 C ATOM 1077 O HIS A 72 -0.633 12.727 -27.176 1.00 5.12 O ATOM 1078 CB HIS A 72 -1.822 9.920 -26.790 1.00 20.52 C ATOM 1079 CG HIS A 72 -2.935 9.254 -27.539 1.00 62.05 C ATOM 1080 ND1 HIS A 72 -4.046 9.931 -27.994 1.00 55.33 N ATOM 1081 CD2 HIS A 72 -3.102 7.964 -27.915 1.00 11.30 C ATOM 1082 CE1 HIS A 72 -4.850 9.087 -28.615 1.00 72.34 C ATOM 1083 NE2 HIS A 72 -4.300 7.886 -28.582 1.00 0.53 N ATOM 0 H HIS A 72 0.541 9.927 -26.036 1.00 14.53 H new ATOM 0 HA HIS A 72 -0.692 9.810 -28.613 1.00 71.34 H new ATOM 0 HB2 HIS A 72 -1.434 9.229 -26.042 1.00 20.52 H new ATOM 0 HB3 HIS A 72 -2.221 10.780 -26.252 1.00 20.52 H new ATOM 0 HD2 HIS A 72 -2.420 7.148 -27.726 1.00 11.30 H new ATOM 0 HE1 HIS A 72 -5.796 9.336 -29.072 1.00 72.34 H new ATOM 0 HE2 HIS A 72 -4.700 7.039 -28.986 1.00 0.53 H new ATOM 1091 N GLU A 73 -1.210 12.139 -29.270 1.00 33.43 N ATOM 1092 CA GLU A 73 -1.402 13.512 -29.720 1.00 2.32 C ATOM 1093 C GLU A 73 -2.859 13.762 -30.099 1.00 45.45 C ATOM 1094 O GLU A 73 -3.484 12.947 -30.777 1.00 31.41 O ATOM 1095 CB GLU A 73 -0.493 13.813 -30.914 1.00 34.51 C ATOM 1096 CG GLU A 73 -0.493 15.275 -31.326 1.00 2.14 C ATOM 1097 CD GLU A 73 -1.082 15.493 -32.706 1.00 32.13 C ATOM 1098 OE1 GLU A 73 -2.317 15.652 -32.806 1.00 24.50 O ATOM 1099 OE2 GLU A 73 -0.308 15.505 -33.686 1.00 21.14 O ATOM 0 H GLU A 73 -1.384 11.432 -29.985 1.00 33.43 H new ATOM 0 HA GLU A 73 -1.140 14.177 -28.897 1.00 2.32 H new ATOM 0 HB2 GLU A 73 0.526 13.514 -30.669 1.00 34.51 H new ATOM 0 HB3 GLU A 73 -0.808 13.205 -31.762 1.00 34.51 H new ATOM 0 HG2 GLU A 73 -1.061 15.854 -30.597 1.00 2.14 H new ATOM 0 HG3 GLU A 73 0.529 15.654 -31.307 1.00 2.14 H new ATOM 1106 N VAL A 74 -3.393 14.896 -29.657 1.00 41.33 N ATOM 1107 CA VAL A 74 -4.775 15.255 -29.950 1.00 53.34 C ATOM 1108 C VAL A 74 -4.879 16.700 -30.425 1.00 11.54 C ATOM 1109 O VAL A 74 -4.400 17.619 -29.760 1.00 24.23 O ATOM 1110 CB VAL A 74 -5.678 15.065 -28.717 1.00 11.20 C ATOM 1111 CG1 VAL A 74 -7.144 15.190 -29.104 1.00 1.14 C ATOM 1112 CG2 VAL A 74 -5.404 13.721 -28.059 1.00 13.31 C ATOM 0 H VAL A 74 -2.889 15.582 -29.095 1.00 41.33 H new ATOM 0 HA VAL A 74 -5.113 14.590 -30.744 1.00 53.34 H new ATOM 0 HB VAL A 74 -5.450 15.850 -27.996 1.00 11.20 H new ATOM 0 HG11 VAL A 74 -7.767 15.053 -28.220 1.00 1.14 H new ATOM 0 HG12 VAL A 74 -7.326 16.178 -29.526 1.00 1.14 H new ATOM 0 HG13 VAL A 74 -7.391 14.428 -29.844 1.00 1.14 H new ATOM 0 HG21 VAL A 74 -6.051 13.603 -27.189 1.00 13.31 H new ATOM 0 HG22 VAL A 74 -5.603 12.920 -28.771 1.00 13.31 H new ATOM 0 HG23 VAL A 74 -4.361 13.676 -27.745 1.00 13.31 H new ATOM 1122 N SER A 75 -5.509 16.895 -31.579 1.00 31.02 N ATOM 1123 CA SER A 75 -5.673 18.229 -32.145 1.00 34.24 C ATOM 1124 C SER A 75 -7.124 18.690 -32.036 1.00 4.20 C ATOM 1125 O SER A 75 -8.051 17.939 -32.341 1.00 5.31 O ATOM 1126 CB SER A 75 -5.230 18.243 -33.609 1.00 32.11 C ATOM 1127 OG SER A 75 -4.065 19.031 -33.782 1.00 30.35 O ATOM 0 H SER A 75 -5.914 16.146 -32.140 1.00 31.02 H new ATOM 0 HA SER A 75 -5.047 18.918 -31.577 1.00 34.24 H new ATOM 0 HB2 SER A 75 -5.036 17.224 -33.943 1.00 32.11 H new ATOM 0 HB3 SER A 75 -6.034 18.635 -34.232 1.00 32.11 H new ATOM 0 HG SER A 75 -3.801 19.022 -34.726 1.00 30.35 H new ATOM 1133 N PHE A 76 -7.312 19.931 -31.599 1.00 20.10 N ATOM 1134 CA PHE A 76 -8.649 20.494 -31.448 1.00 62.34 C ATOM 1135 C PHE A 76 -8.619 22.012 -31.595 1.00 12.35 C ATOM 1136 O PHE A 76 -7.550 22.620 -31.654 1.00 13.35 O ATOM 1137 CB PHE A 76 -9.236 20.112 -30.088 1.00 5.32 C ATOM 1138 CG PHE A 76 -8.203 19.980 -29.005 1.00 65.55 C ATOM 1139 CD1 PHE A 76 -7.494 18.800 -28.847 1.00 30.52 C ATOM 1140 CD2 PHE A 76 -7.941 21.035 -28.146 1.00 65.35 C ATOM 1141 CE1 PHE A 76 -6.542 18.674 -27.852 1.00 55.11 C ATOM 1142 CE2 PHE A 76 -6.990 20.915 -27.150 1.00 41.24 C ATOM 1143 CZ PHE A 76 -6.291 19.733 -27.002 1.00 40.11 C ATOM 0 H PHE A 76 -6.556 20.566 -31.343 1.00 20.10 H new ATOM 0 HA PHE A 76 -9.281 20.083 -32.236 1.00 62.34 H new ATOM 0 HB2 PHE A 76 -9.967 20.865 -29.792 1.00 5.32 H new ATOM 0 HB3 PHE A 76 -9.772 19.168 -30.185 1.00 5.32 H new ATOM 0 HD1 PHE A 76 -7.687 17.969 -29.509 1.00 30.52 H new ATOM 0 HD2 PHE A 76 -8.486 21.961 -28.256 1.00 65.35 H new ATOM 0 HE1 PHE A 76 -5.996 17.749 -27.740 1.00 55.11 H new ATOM 0 HE2 PHE A 76 -6.794 21.745 -26.488 1.00 41.24 H new ATOM 0 HZ PHE A 76 -5.549 19.637 -26.223 1.00 40.11 H new ATOM 1153 N ASP A 77 -9.800 22.618 -31.653 1.00 10.02 N ATOM 1154 CA ASP A 77 -9.911 24.065 -31.792 1.00 1.55 C ATOM 1155 C ASP A 77 -10.600 24.677 -30.575 1.00 62.24 C ATOM 1156 O ASP A 77 -11.420 24.030 -29.923 1.00 43.41 O ATOM 1157 CB ASP A 77 -10.684 24.420 -33.063 1.00 30.32 C ATOM 1158 CG ASP A 77 -12.011 23.692 -33.155 1.00 42.11 C ATOM 1159 OD1 ASP A 77 -12.900 23.970 -32.323 1.00 3.32 O ATOM 1160 OD2 ASP A 77 -12.161 22.845 -34.060 1.00 42.12 O ATOM 0 H ASP A 77 -10.694 22.129 -31.606 1.00 10.02 H new ATOM 0 HA ASP A 77 -8.904 24.476 -31.862 1.00 1.55 H new ATOM 0 HB2 ASP A 77 -10.860 25.495 -33.089 1.00 30.32 H new ATOM 0 HB3 ASP A 77 -10.077 24.175 -33.935 1.00 30.32 H new ATOM 1165 N VAL A 78 -10.260 25.926 -30.275 1.00 54.52 N ATOM 1166 CA VAL A 78 -10.846 26.625 -29.138 1.00 0.44 C ATOM 1167 C VAL A 78 -11.602 27.870 -29.587 1.00 53.34 C ATOM 1168 O VAL A 78 -11.194 28.552 -30.529 1.00 75.31 O ATOM 1169 CB VAL A 78 -9.769 27.034 -28.115 1.00 31.11 C ATOM 1170 CG1 VAL A 78 -8.856 28.101 -28.699 1.00 25.13 C ATOM 1171 CG2 VAL A 78 -10.415 27.520 -26.827 1.00 15.43 C ATOM 0 H VAL A 78 -9.582 26.475 -30.804 1.00 54.52 H new ATOM 0 HA VAL A 78 -11.542 25.932 -28.666 1.00 0.44 H new ATOM 0 HB VAL A 78 -9.163 26.159 -27.882 1.00 31.11 H new ATOM 0 HG11 VAL A 78 -8.102 28.377 -27.962 1.00 25.13 H new ATOM 0 HG12 VAL A 78 -8.366 27.712 -29.592 1.00 25.13 H new ATOM 0 HG13 VAL A 78 -9.445 28.980 -28.962 1.00 25.13 H new ATOM 0 HG21 VAL A 78 -9.640 27.805 -26.116 1.00 15.43 H new ATOM 0 HG22 VAL A 78 -11.047 28.382 -27.040 1.00 15.43 H new ATOM 0 HG23 VAL A 78 -11.023 26.722 -26.401 1.00 15.43 H new ATOM 1181 N LEU A 79 -12.706 28.163 -28.908 1.00 70.35 N ATOM 1182 CA LEU A 79 -13.521 29.327 -29.237 1.00 43.34 C ATOM 1183 C LEU A 79 -13.989 30.039 -27.972 1.00 41.23 C ATOM 1184 O LEU A 79 -14.675 29.453 -27.135 1.00 23.32 O ATOM 1185 CB LEU A 79 -14.729 28.908 -30.077 1.00 44.53 C ATOM 1186 CG LEU A 79 -15.077 29.821 -31.253 1.00 54.43 C ATOM 1187 CD1 LEU A 79 -14.114 29.596 -32.408 1.00 72.43 C ATOM 1188 CD2 LEU A 79 -16.513 29.590 -31.701 1.00 33.42 C ATOM 0 H LEU A 79 -13.057 27.610 -28.126 1.00 70.35 H new ATOM 0 HA LEU A 79 -12.907 30.018 -29.815 1.00 43.34 H new ATOM 0 HB2 LEU A 79 -14.548 27.905 -30.463 1.00 44.53 H new ATOM 0 HB3 LEU A 79 -15.598 28.845 -29.422 1.00 44.53 H new ATOM 0 HG LEU A 79 -14.982 30.856 -30.924 1.00 54.43 H new ATOM 0 HD11 LEU A 79 -14.378 30.255 -33.235 1.00 72.43 H new ATOM 0 HD12 LEU A 79 -13.097 29.813 -32.081 1.00 72.43 H new ATOM 0 HD13 LEU A 79 -14.176 28.558 -32.736 1.00 72.43 H new ATOM 0 HD21 LEU A 79 -16.743 30.248 -32.539 1.00 33.42 H new ATOM 0 HD22 LEU A 79 -16.635 28.552 -32.011 1.00 33.42 H new ATOM 0 HD23 LEU A 79 -17.191 29.804 -30.875 1.00 33.42 H new ATOM 1200 N VAL A 80 -13.616 31.308 -27.841 1.00 5.22 N ATOM 1201 CA VAL A 80 -14.000 32.102 -26.680 1.00 21.24 C ATOM 1202 C VAL A 80 -15.221 32.963 -26.982 1.00 70.23 C ATOM 1203 O VAL A 80 -15.311 33.579 -28.044 1.00 11.21 O ATOM 1204 CB VAL A 80 -12.847 33.011 -26.215 1.00 22.03 C ATOM 1205 CG1 VAL A 80 -12.359 33.883 -27.361 1.00 45.13 C ATOM 1206 CG2 VAL A 80 -13.285 33.864 -25.034 1.00 3.41 C ATOM 0 H VAL A 80 -13.048 31.808 -28.525 1.00 5.22 H new ATOM 0 HA VAL A 80 -14.243 31.399 -25.883 1.00 21.24 H new ATOM 0 HB VAL A 80 -12.018 32.381 -25.892 1.00 22.03 H new ATOM 0 HG11 VAL A 80 -11.544 34.518 -27.013 1.00 45.13 H new ATOM 0 HG12 VAL A 80 -12.004 33.250 -28.174 1.00 45.13 H new ATOM 0 HG13 VAL A 80 -13.178 34.507 -27.718 1.00 45.13 H new ATOM 0 HG21 VAL A 80 -12.458 34.500 -24.718 1.00 3.41 H new ATOM 0 HG22 VAL A 80 -14.130 34.486 -25.328 1.00 3.41 H new ATOM 0 HG23 VAL A 80 -13.581 33.217 -24.208 1.00 3.41 H new ATOM 1216 N SER A 81 -16.159 33.001 -26.042 1.00 33.15 N ATOM 1217 CA SER A 81 -17.378 33.784 -26.209 1.00 1.15 C ATOM 1218 C SER A 81 -17.461 34.889 -25.160 1.00 53.31 C ATOM 1219 O SER A 81 -16.800 34.847 -24.123 1.00 3.24 O ATOM 1220 CB SER A 81 -18.608 32.880 -26.112 1.00 30.34 C ATOM 1221 OG SER A 81 -19.199 32.684 -27.385 1.00 11.44 O ATOM 0 H SER A 81 -16.099 32.499 -25.156 1.00 33.15 H new ATOM 0 HA SER A 81 -17.352 34.245 -27.197 1.00 1.15 H new ATOM 0 HB2 SER A 81 -18.323 31.917 -25.688 1.00 30.34 H new ATOM 0 HB3 SER A 81 -19.337 33.324 -25.434 1.00 30.34 H new ATOM 0 HG SER A 81 -19.982 32.101 -27.296 1.00 11.44 H new ATOM 1227 N PRO A 82 -18.294 35.904 -25.436 1.00 33.31 N ATOM 1228 CA PRO A 82 -18.485 37.040 -24.530 1.00 34.14 C ATOM 1229 C PRO A 82 -19.228 36.648 -23.257 1.00 24.54 C ATOM 1230 O PRO A 82 -20.326 36.093 -23.311 1.00 44.24 O ATOM 1231 CB PRO A 82 -19.324 38.017 -25.358 1.00 4.14 C ATOM 1232 CG PRO A 82 -20.043 37.160 -26.341 1.00 41.03 C ATOM 1233 CD PRO A 82 -19.114 36.019 -26.654 1.00 12.44 C ATOM 0 HA PRO A 82 -17.536 37.453 -24.190 1.00 34.14 H new ATOM 0 HB2 PRO A 82 -20.022 38.570 -24.730 1.00 4.14 H new ATOM 0 HB3 PRO A 82 -18.695 38.752 -25.860 1.00 4.14 H new ATOM 0 HG2 PRO A 82 -20.983 36.795 -25.927 1.00 41.03 H new ATOM 0 HG3 PRO A 82 -20.289 37.722 -27.242 1.00 41.03 H new ATOM 0 HD2 PRO A 82 -19.662 35.099 -26.858 1.00 12.44 H new ATOM 0 HD3 PRO A 82 -18.503 36.228 -27.532 1.00 12.44 H new