USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 565 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 61 ASN :FLIP amide:sc= 1.36 F(o=-0.075!,f=2.2) USER MOD Set 1.2: A 63 SER OG : rot -50:sc= 0.849 USER MOD Single : A 4 SER OG : rot 40:sc= 0.11 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.122 F(o=-1.2!,f=-0.12) USER MOD Single : A 11 HIS : no HD1:sc= -0.008 X(o=-0.008,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0243 F(o=-1.2!,f=-0.024) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.18) USER MOD Single : A 32 ASN : amide:sc= -0.0314 K(o=-0.031,f=-1.8!) USER MOD Single : A 38 TYR OH : rot -58:sc= -1.59 USER MOD Single : A 42 TYR OH : rot 50:sc= 0.154 USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= 1.32 (180deg=1.26) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 67 MET CE :methyl -136:sc= -1.83 (180deg=-3.56!) USER MOD Single : A 69 THR OG1 : rot -160:sc= 0.199 USER MOD Single : A 71 SER OG : rot 47:sc= 0.116 USER MOD ----------------------------------------------------------------- ATOM 38 N SER A 4 7.886 -4.484 1.874 1.00 71.02 N ATOM 39 CA SER A 4 8.472 -5.747 2.289 1.00 42.34 C ATOM 40 C SER A 4 9.410 -5.567 3.479 1.00 25.41 C ATOM 41 O SER A 4 10.567 -5.169 3.326 1.00 72.11 O ATOM 42 CB SER A 4 9.218 -6.388 1.115 1.00 74.12 C ATOM 43 OG SER A 4 8.357 -6.555 0.000 1.00 34.13 O ATOM 0 HA SER A 4 7.663 -6.406 2.604 1.00 42.34 H new ATOM 0 HB2 SER A 4 10.067 -5.765 0.834 1.00 74.12 H new ATOM 0 HB3 SER A 4 9.619 -7.355 1.418 1.00 74.12 H new ATOM 0 HG SER A 4 7.773 -5.773 -0.082 1.00 34.13 H new ATOM 49 N GLU A 5 8.895 -5.859 4.666 1.00 73.11 N ATOM 50 CA GLU A 5 9.700 -5.869 5.879 1.00 2.22 C ATOM 51 C GLU A 5 9.683 -7.264 6.483 1.00 63.11 C ATOM 52 O GLU A 5 8.710 -7.654 7.135 1.00 33.12 O ATOM 53 CB GLU A 5 9.181 -4.864 6.915 1.00 74.03 C ATOM 54 CG GLU A 5 9.631 -3.428 6.693 1.00 3.23 C ATOM 55 CD GLU A 5 9.004 -2.781 5.480 1.00 61.35 C ATOM 56 OE1 GLU A 5 9.754 -2.378 4.570 1.00 21.51 O ATOM 57 OE2 GLU A 5 7.763 -2.648 5.450 1.00 22.25 O1- ATOM 0 H GLU A 5 7.914 -6.094 4.814 1.00 73.11 H new ATOM 0 HA GLU A 5 10.716 -5.581 5.609 1.00 2.22 H new ATOM 0 HB2 GLU A 5 8.091 -4.893 6.914 1.00 74.03 H new ATOM 0 HB3 GLU A 5 9.507 -5.183 7.905 1.00 74.03 H new ATOM 0 HG2 GLU A 5 9.387 -2.838 7.577 1.00 3.23 H new ATOM 0 HG3 GLU A 5 10.716 -3.408 6.586 1.00 3.23 H new ATOM 64 N GLY A 6 10.741 -8.024 6.248 1.00 13.15 N ATOM 65 CA GLY A 6 10.780 -9.380 6.740 1.00 42.42 C ATOM 66 C GLY A 6 12.181 -9.935 6.847 1.00 52.24 C ATOM 67 O GLY A 6 13.059 -9.591 6.054 1.00 3.43 O ATOM 0 H GLY A 6 11.567 -7.727 5.729 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.306 -9.417 7.721 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.194 -10.017 6.078 1.00 42.42 H new ATOM 71 N CYS A 7 12.379 -10.793 7.834 1.00 10.20 N ATOM 72 CA CYS A 7 13.645 -11.479 8.023 1.00 70.11 C ATOM 73 C CYS A 7 13.706 -12.711 7.126 1.00 4.44 C ATOM 74 O CYS A 7 12.671 -13.238 6.706 1.00 72.14 O ATOM 75 CB CYS A 7 13.808 -11.896 9.486 1.00 4.33 C ATOM 76 SG CYS A 7 13.570 -10.543 10.682 1.00 21.12 S ATOM 0 H CYS A 7 11.668 -11.033 8.525 1.00 10.20 H new ATOM 0 HA CYS A 7 14.455 -10.800 7.757 1.00 70.11 H new ATOM 0 HB2 CYS A 7 13.095 -12.690 9.707 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.805 -12.315 9.623 1.00 4.33 H new ATOM 81 N GLN A 8 14.913 -13.166 6.842 1.00 15.12 N ATOM 82 CA GLN A 8 15.114 -14.338 6.001 1.00 64.14 C ATOM 83 C GLN A 8 15.021 -15.623 6.813 1.00 64.22 C ATOM 84 O GLN A 8 14.780 -15.597 8.020 1.00 1.10 O ATOM 85 CB GLN A 8 16.480 -14.279 5.316 1.00 50.41 C ATOM 86 CG GLN A 8 17.636 -14.032 6.278 1.00 43.35 C ATOM 87 CD GLN A 8 18.989 -14.394 5.692 1.00 51.10 C ATOM 88 OE1 GLN A 8 19.044 -15.469 4.917 1.00 41.23 O flip ATOM 89 NE2 GLN A 8 19.990 -13.735 5.969 1.00 23.50 N flip ATOM 0 H GLN A 8 15.775 -12.741 7.183 1.00 15.12 H new ATOM 0 HA GLN A 8 14.326 -14.337 5.248 1.00 64.14 H new ATOM 0 HB2 GLN A 8 16.653 -15.216 4.787 1.00 50.41 H new ATOM 0 HB3 GLN A 8 16.467 -13.488 4.566 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.642 -12.981 6.567 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.474 -14.611 7.187 1.00 43.35 H new ATOM 0 HE21 GLN A 8 19.910 -12.914 6.568 1.00 23.50 H new ATOM 0 HE22 GLN A 8 20.900 -14.010 5.599 1.00 23.50 H new ATOM 98 N ILE A 9 15.228 -16.746 6.136 1.00 54.54 N ATOM 99 CA ILE A 9 15.279 -18.037 6.800 1.00 64.42 C ATOM 100 C ILE A 9 16.696 -18.302 7.278 1.00 73.43 C ATOM 101 O ILE A 9 17.631 -18.385 6.480 1.00 71.43 O ATOM 102 CB ILE A 9 14.846 -19.192 5.867 1.00 54.42 C ATOM 103 CG1 ILE A 9 13.384 -19.031 5.451 1.00 1.03 C ATOM 104 CG2 ILE A 9 15.062 -20.541 6.545 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.884 -20.156 4.569 1.00 23.41 C ATOM 0 H ILE A 9 15.363 -16.786 5.126 1.00 54.54 H new ATOM 0 HA ILE A 9 14.584 -18.000 7.639 1.00 64.42 H new ATOM 0 HB ILE A 9 15.464 -19.155 4.970 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.763 -18.977 6.345 1.00 1.03 H new ATOM 0 HG13 ILE A 9 13.266 -18.085 4.923 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.751 -21.340 5.872 1.00 60.45 H new ATOM 0 HG22 ILE A 9 16.118 -20.661 6.788 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.472 -20.587 7.460 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.840 -19.979 4.311 1.00 23.41 H new ATOM 0 HD12 ILE A 9 13.481 -20.197 3.658 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.970 -21.103 5.103 1.00 23.41 H new ATOM 117 N ILE A 10 16.844 -18.411 8.582 1.00 1.44 N ATOM 118 CA ILE A 10 18.139 -18.629 9.190 1.00 53.14 C ATOM 119 C ILE A 10 18.426 -20.119 9.324 1.00 15.30 C ATOM 120 O ILE A 10 17.508 -20.925 9.472 1.00 44.43 O ATOM 121 CB ILE A 10 18.220 -17.939 10.566 1.00 44.30 C ATOM 122 CG1 ILE A 10 17.033 -18.351 11.447 1.00 13.24 C ATOM 123 CG2 ILE A 10 18.256 -16.429 10.379 1.00 25.05 C ATOM 124 CD1 ILE A 10 16.997 -17.660 12.795 1.00 42.33 C ATOM 0 H ILE A 10 16.073 -18.351 9.247 1.00 1.44 H new ATOM 0 HA ILE A 10 18.896 -18.189 8.541 1.00 53.14 H new ATOM 0 HB ILE A 10 19.134 -18.254 11.069 1.00 44.30 H new ATOM 0 HG12 ILE A 10 16.107 -18.135 10.915 1.00 13.24 H new ATOM 0 HG13 ILE A 10 17.067 -19.429 11.604 1.00 13.24 H new ATOM 0 HG21 ILE A 10 18.313 -15.943 11.353 1.00 25.05 H new ATOM 0 HG22 ILE A 10 19.129 -16.157 9.786 1.00 25.05 H new ATOM 0 HG23 ILE A 10 17.352 -16.104 9.864 1.00 25.05 H new ATOM 0 HD11 ILE A 10 16.129 -18.005 13.357 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.906 -17.896 13.349 1.00 42.33 H new ATOM 0 HD13 ILE A 10 16.930 -16.582 12.650 1.00 42.33 H new ATOM 136 N HIS A 11 19.697 -20.479 9.250 1.00 11.24 N ATOM 137 CA HIS A 11 20.096 -21.879 9.260 1.00 24.14 C ATOM 138 C HIS A 11 20.300 -22.384 10.681 1.00 73.03 C ATOM 139 O HIS A 11 20.770 -21.648 11.550 1.00 11.43 O ATOM 140 CB HIS A 11 21.374 -22.075 8.440 1.00 24.23 C ATOM 141 CG HIS A 11 21.164 -21.945 6.959 1.00 51.10 C ATOM 142 ND1 HIS A 11 21.438 -22.960 6.070 1.00 34.40 N ATOM 143 CD2 HIS A 11 20.697 -20.913 6.215 1.00 73.31 C ATOM 144 CE1 HIS A 11 21.152 -22.561 4.846 1.00 41.44 C ATOM 145 NE2 HIS A 11 20.698 -21.323 4.905 1.00 32.35 N ATOM 0 H HIS A 11 20.473 -19.820 9.182 1.00 11.24 H new ATOM 0 HA HIS A 11 19.292 -22.460 8.807 1.00 24.14 H new ATOM 0 HB2 HIS A 11 22.116 -21.343 8.759 1.00 24.23 H new ATOM 0 HB3 HIS A 11 21.786 -23.061 8.655 1.00 24.23 H new ATOM 0 HD2 HIS A 11 20.383 -19.948 6.584 1.00 73.31 H new ATOM 0 HE1 HIS A 11 21.269 -23.148 3.947 1.00 41.44 H new ATOM 0 HE2 HIS A 11 20.397 -20.763 4.108 1.00 32.35 H new ATOM 154 N PRO A 12 19.928 -23.650 10.931 1.00 62.10 N ATOM 155 CA PRO A 12 20.100 -24.290 12.237 1.00 31.33 C ATOM 156 C PRO A 12 21.572 -24.511 12.575 1.00 62.52 C ATOM 157 O PRO A 12 22.353 -24.955 11.731 1.00 11.24 O ATOM 158 CB PRO A 12 19.381 -25.641 12.089 1.00 52.40 C ATOM 159 CG PRO A 12 18.570 -25.526 10.843 1.00 51.45 C ATOM 160 CD PRO A 12 19.304 -24.562 9.963 1.00 4.22 C ATOM 0 HA PRO A 12 19.701 -23.674 13.043 1.00 31.33 H new ATOM 0 HB2 PRO A 12 20.096 -26.460 12.018 1.00 52.40 H new ATOM 0 HB3 PRO A 12 18.748 -25.845 12.952 1.00 52.40 H new ATOM 0 HG2 PRO A 12 18.462 -26.495 10.356 1.00 51.45 H new ATOM 0 HG3 PRO A 12 17.565 -25.167 11.063 1.00 51.45 H new ATOM 0 HD2 PRO A 12 20.047 -25.064 9.343 1.00 4.22 H new ATOM 0 HD3 PRO A 12 18.629 -24.036 9.288 1.00 4.22 H new ATOM 168 N PRO A 13 21.966 -24.190 13.813 1.00 72.42 N ATOM 169 CA PRO A 13 23.337 -24.357 14.278 1.00 11.03 C ATOM 170 C PRO A 13 23.592 -25.749 14.859 1.00 21.12 C ATOM 171 O PRO A 13 22.972 -26.733 14.446 1.00 10.42 O ATOM 172 CB PRO A 13 23.434 -23.291 15.365 1.00 63.12 C ATOM 173 CG PRO A 13 22.065 -23.230 15.957 1.00 12.24 C ATOM 174 CD PRO A 13 21.101 -23.623 14.865 1.00 11.22 C ATOM 0 HA PRO A 13 24.071 -24.257 13.479 1.00 11.03 H new ATOM 0 HB2 PRO A 13 24.179 -23.557 16.115 1.00 63.12 H new ATOM 0 HB3 PRO A 13 23.730 -22.327 14.950 1.00 63.12 H new ATOM 0 HG2 PRO A 13 21.981 -23.906 16.808 1.00 12.24 H new ATOM 0 HG3 PRO A 13 21.846 -22.227 16.323 1.00 12.24 H new ATOM 0 HD2 PRO A 13 20.373 -24.352 15.219 1.00 11.22 H new ATOM 0 HD3 PRO A 13 20.539 -22.763 14.500 1.00 11.22 H new ATOM 182 N TRP A 14 24.517 -25.818 15.814 1.00 13.53 N ATOM 183 CA TRP A 14 24.848 -27.062 16.498 1.00 55.11 C ATOM 184 C TRP A 14 23.638 -27.587 17.286 1.00 13.40 C ATOM 185 O TRP A 14 22.565 -26.984 17.241 1.00 31.14 O ATOM 186 CB TRP A 14 26.050 -26.845 17.425 1.00 53.25 C ATOM 187 CG TRP A 14 26.819 -28.100 17.705 1.00 30.52 C ATOM 188 CD1 TRP A 14 27.065 -28.666 18.923 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.434 -28.953 16.734 1.00 32.13 C ATOM 190 NE1 TRP A 14 27.799 -29.816 18.766 1.00 11.25 N ATOM 191 CE2 TRP A 14 28.035 -30.013 17.432 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.533 -28.922 15.339 1.00 52.43 C ATOM 193 CZ2 TRP A 14 28.725 -31.032 16.786 1.00 61.11 C ATOM 194 CZ3 TRP A 14 28.219 -29.934 14.700 1.00 24.33 C ATOM 195 CH2 TRP A 14 28.806 -30.978 15.423 1.00 71.42 C ATOM 0 H TRP A 14 25.056 -25.013 16.134 1.00 13.53 H new ATOM 0 HA TRP A 14 25.113 -27.812 15.753 1.00 55.11 H new ATOM 0 HB2 TRP A 14 26.718 -26.111 16.975 1.00 53.25 H new ATOM 0 HB3 TRP A 14 25.701 -26.423 18.368 1.00 53.25 H new ATOM 0 HD1 TRP A 14 26.732 -28.268 19.870 1.00 34.14 H new ATOM 0 HE1 TRP A 14 28.117 -30.424 19.521 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.081 -28.121 14.773 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 29.181 -31.838 17.342 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 28.304 -29.920 13.623 1.00 24.33 H new ATOM 0 HH2 TRP A 14 29.334 -31.757 14.893 1.00 71.42 H new ATOM 206 N GLU A 15 23.837 -28.703 17.999 1.00 44.34 N ATOM 207 CA GLU A 15 22.765 -29.434 18.696 1.00 22.34 C ATOM 208 C GLU A 15 21.736 -28.506 19.347 1.00 24.33 C ATOM 209 O GLU A 15 21.956 -27.957 20.427 1.00 3.10 O ATOM 210 CB GLU A 15 23.374 -30.349 19.762 1.00 35.12 C ATOM 211 CG GLU A 15 24.417 -31.311 19.214 1.00 53.31 C ATOM 212 CD GLU A 15 23.856 -32.235 18.156 1.00 41.30 C ATOM 213 OE1 GLU A 15 23.382 -33.332 18.511 1.00 63.35 O ATOM 214 OE2 GLU A 15 23.886 -31.869 16.964 1.00 74.13 O1- ATOM 0 H GLU A 15 24.756 -29.130 18.111 1.00 44.34 H new ATOM 0 HA GLU A 15 22.238 -30.020 17.943 1.00 22.34 H new ATOM 0 HB2 GLU A 15 23.830 -29.735 20.538 1.00 35.12 H new ATOM 0 HB3 GLU A 15 22.577 -30.922 20.236 1.00 35.12 H new ATOM 0 HG2 GLU A 15 25.245 -30.742 18.792 1.00 53.31 H new ATOM 0 HG3 GLU A 15 24.823 -31.906 20.032 1.00 53.31 H new ATOM 221 N GLY A 16 20.612 -28.349 18.663 1.00 71.54 N ATOM 222 CA GLY A 16 19.558 -27.476 19.127 1.00 11.25 C ATOM 223 C GLY A 16 18.507 -27.287 18.053 1.00 0.41 C ATOM 224 O GLY A 16 18.556 -27.953 17.017 1.00 33.22 O ATOM 0 H GLY A 16 20.411 -28.820 17.781 1.00 71.54 H new ATOM 0 HA2 GLY A 16 19.099 -27.896 20.022 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.977 -26.509 19.407 1.00 11.25 H new ATOM 228 N GLY A 17 17.563 -26.391 18.284 1.00 23.54 N ATOM 229 CA GLY A 17 16.531 -26.135 17.304 1.00 23.21 C ATOM 230 C GLY A 17 15.916 -24.766 17.472 1.00 4.21 C ATOM 231 O GLY A 17 16.394 -23.954 18.266 1.00 73.45 O ATOM 0 H GLY A 17 17.493 -25.834 19.136 1.00 23.54 H new ATOM 0 HA2 GLY A 17 16.953 -26.222 16.303 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.754 -26.894 17.390 1.00 23.21 H new ATOM 235 N ILE A 18 14.844 -24.509 16.743 1.00 13.11 N ATOM 236 CA ILE A 18 14.187 -23.215 16.795 1.00 4.12 C ATOM 237 C ILE A 18 12.696 -23.365 17.020 1.00 21.53 C ATOM 238 O ILE A 18 12.044 -24.236 16.441 1.00 64.33 O ATOM 239 CB ILE A 18 14.471 -22.380 15.525 1.00 60.43 C ATOM 240 CG1 ILE A 18 15.893 -21.836 15.604 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.466 -21.239 15.363 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.285 -20.962 14.431 1.00 70.34 C ATOM 0 H ILE A 18 14.410 -25.179 16.108 1.00 13.11 H new ATOM 0 HA ILE A 18 14.604 -22.675 17.645 1.00 4.12 H new ATOM 0 HB ILE A 18 14.366 -23.022 14.650 1.00 60.43 H new ATOM 0 HG12 ILE A 18 16.000 -21.261 16.524 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.588 -22.673 15.668 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.698 -20.675 14.460 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.459 -21.649 15.286 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.523 -20.578 16.228 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.310 -20.615 14.562 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.212 -21.537 13.508 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.615 -20.104 14.377 1.00 70.34 H new ATOM 254 N ARG A 19 12.172 -22.520 17.885 1.00 44.43 N ATOM 255 CA ARG A 19 10.776 -22.558 18.254 1.00 12.34 C ATOM 256 C ARG A 19 10.098 -21.263 17.836 1.00 54.31 C ATOM 257 O ARG A 19 10.487 -20.185 18.277 1.00 14.40 O ATOM 258 CB ARG A 19 10.680 -22.751 19.761 1.00 21.13 C ATOM 259 CG ARG A 19 9.309 -23.198 20.255 1.00 74.22 C ATOM 260 CD ARG A 19 8.851 -24.485 19.578 1.00 2.13 C ATOM 261 NE ARG A 19 9.845 -25.552 19.686 1.00 34.34 N ATOM 262 CZ ARG A 19 9.556 -26.814 20.018 1.00 15.24 C ATOM 263 NH1 ARG A 19 8.316 -27.159 20.334 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 10.511 -27.736 20.033 1.00 45.00 N ATOM 0 H ARG A 19 12.706 -21.787 18.352 1.00 44.43 H new ATOM 0 HA ARG A 19 10.274 -23.383 17.749 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.421 -23.489 20.068 1.00 21.13 H new ATOM 0 HB3 ARG A 19 10.941 -21.814 20.252 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.343 -23.348 21.334 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.580 -22.410 20.066 1.00 74.22 H new ATOM 0 HD2 ARG A 19 7.915 -24.816 20.028 1.00 2.13 H new ATOM 0 HD3 ARG A 19 8.647 -24.287 18.526 1.00 2.13 H new ATOM 0 HE ARG A 19 10.820 -25.319 19.496 1.00 34.34 H new ATOM 0 HH11 ARG A 19 7.574 -26.459 20.325 1.00 45.21 H new ATOM 0 HH12 ARG A 19 8.104 -28.124 20.586 1.00 45.21 H new ATOM 0 HH21 ARG A 19 11.469 -27.482 19.791 1.00 45.00 H new ATOM 0 HH22 ARG A 19 10.287 -28.698 20.287 1.00 45.00 H new ATOM 278 N TYR A 20 9.103 -21.369 16.969 1.00 74.35 N ATOM 279 CA TYR A 20 8.397 -20.191 16.480 1.00 40.55 C ATOM 280 C TYR A 20 7.290 -19.788 17.448 1.00 34.25 C ATOM 281 O TYR A 20 7.181 -20.339 18.546 1.00 72.21 O ATOM 282 CB TYR A 20 7.814 -20.463 15.089 1.00 12.44 C ATOM 283 CG TYR A 20 8.857 -20.773 14.038 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.278 -22.077 13.812 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.417 -19.759 13.271 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.230 -22.364 12.851 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.371 -20.037 12.307 1.00 52.11 C ATOM 288 CZ TYR A 20 10.773 -21.341 12.102 1.00 34.52 C ATOM 289 OH TYR A 20 11.719 -21.625 11.144 1.00 22.43 O ATOM 0 H TYR A 20 8.766 -22.254 16.590 1.00 74.35 H new ATOM 0 HA TYR A 20 9.107 -19.367 16.408 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.118 -21.300 15.154 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.238 -19.594 14.771 1.00 12.44 H new ATOM 0 HD1 TYR A 20 8.855 -22.880 14.397 1.00 24.23 H new ATOM 0 HD2 TYR A 20 9.103 -18.738 13.429 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.547 -23.384 12.688 1.00 54.01 H new ATOM 0 HE2 TYR A 20 10.798 -19.238 11.719 1.00 52.11 H new ATOM 0 HH TYR A 20 11.999 -20.795 10.705 1.00 22.43 H new ATOM 299 N ARG A 21 6.465 -18.837 17.039 1.00 4.04 N ATOM 300 CA ARG A 21 5.373 -18.372 17.877 1.00 43.13 C ATOM 301 C ARG A 21 4.102 -19.142 17.550 1.00 4.10 C ATOM 302 O ARG A 21 3.497 -19.764 18.421 1.00 52.41 O ATOM 303 CB ARG A 21 5.136 -16.870 17.682 1.00 74.30 C ATOM 304 CG ARG A 21 4.010 -16.321 18.545 1.00 52.33 C ATOM 305 CD ARG A 21 3.531 -14.964 18.050 1.00 1.31 C ATOM 306 NE ARG A 21 4.530 -13.907 18.221 1.00 72.30 N ATOM 307 CZ ARG A 21 4.695 -12.901 17.360 1.00 63.53 C ATOM 308 NH1 ARG A 21 4.043 -12.907 16.200 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 5.528 -11.903 17.646 1.00 24.04 N ATOM 0 H ARG A 21 6.531 -18.373 16.133 1.00 4.04 H new ATOM 0 HA ARG A 21 5.643 -18.546 18.919 1.00 43.13 H new ATOM 0 HB2 ARG A 21 6.056 -16.331 17.911 1.00 74.30 H new ATOM 0 HB3 ARG A 21 4.907 -16.679 16.634 1.00 74.30 H new ATOM 0 HG2 ARG A 21 3.176 -17.023 18.545 1.00 52.33 H new ATOM 0 HG3 ARG A 21 4.352 -16.232 19.576 1.00 52.33 H new ATOM 0 HD2 ARG A 21 3.268 -15.040 16.995 1.00 1.31 H new ATOM 0 HD3 ARG A 21 2.623 -14.688 18.586 1.00 1.31 H new ATOM 0 HE ARG A 21 5.133 -13.942 19.043 1.00 72.30 H new ATOM 0 HH11 ARG A 21 3.418 -13.680 15.970 1.00 42.32 H new ATOM 0 HH12 ARG A 21 4.168 -12.139 15.541 1.00 42.32 H new ATOM 0 HH21 ARG A 21 6.043 -11.905 18.526 1.00 24.04 H new ATOM 0 HH22 ARG A 21 5.651 -11.136 16.985 1.00 24.04 H new ATOM 323 N GLY A 22 3.716 -19.111 16.284 1.00 11.55 N ATOM 324 CA GLY A 22 2.505 -19.779 15.864 1.00 50.05 C ATOM 325 C GLY A 22 2.626 -20.369 14.478 1.00 71.12 C ATOM 326 O GLY A 22 1.987 -19.899 13.540 1.00 54.54 O ATOM 0 H GLY A 22 4.222 -18.633 15.539 1.00 11.55 H new ATOM 0 HA2 GLY A 22 2.265 -20.571 16.574 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.677 -19.071 15.884 1.00 50.05 H new ATOM 330 N LEU A 23 3.463 -21.384 14.347 1.00 51.01 N ATOM 331 CA LEU A 23 3.640 -22.083 13.082 1.00 52.44 C ATOM 332 C LEU A 23 3.743 -23.578 13.325 1.00 5.12 C ATOM 333 O LEU A 23 4.650 -24.037 14.020 1.00 0.51 O ATOM 334 CB LEU A 23 4.892 -21.591 12.345 1.00 44.13 C ATOM 335 CG LEU A 23 4.799 -20.179 11.761 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.123 -19.770 11.139 1.00 34.31 C ATOM 337 CD2 LEU A 23 3.684 -20.099 10.728 1.00 3.33 C ATOM 0 H LEU A 23 4.037 -21.746 15.109 1.00 51.01 H new ATOM 0 HA LEU A 23 2.772 -21.873 12.457 1.00 52.44 H new ATOM 0 HB2 LEU A 23 5.736 -21.626 13.034 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.113 -22.287 11.535 1.00 44.13 H new ATOM 0 HG LEU A 23 4.569 -19.489 12.573 1.00 45.22 H new ATOM 0 HD11 LEU A 23 6.037 -18.764 10.729 1.00 34.31 H new ATOM 0 HD12 LEU A 23 6.903 -19.787 11.900 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.380 -20.466 10.341 1.00 34.31 H new ATOM 0 HD21 LEU A 23 3.634 -19.088 10.324 1.00 3.33 H new ATOM 0 HD22 LEU A 23 3.885 -20.802 9.920 1.00 3.33 H new ATOM 0 HD23 LEU A 23 2.733 -20.349 11.199 1.00 3.33 H new ATOM 349 N THR A 24 2.806 -24.328 12.769 1.00 45.31 N ATOM 350 CA THR A 24 2.808 -25.775 12.903 1.00 75.32 C ATOM 351 C THR A 24 3.782 -26.398 11.897 1.00 64.12 C ATOM 352 O THR A 24 4.402 -25.684 11.103 1.00 23.12 O ATOM 353 CB THR A 24 1.387 -26.359 12.713 1.00 73.21 C ATOM 354 OG1 THR A 24 1.354 -27.727 13.141 1.00 0.00 O ATOM 355 CG2 THR A 24 0.938 -26.274 11.259 1.00 12.52 C ATOM 0 H THR A 24 2.032 -23.957 12.219 1.00 45.31 H new ATOM 0 HA THR A 24 3.137 -26.021 13.913 1.00 75.32 H new ATOM 0 HB THR A 24 0.703 -25.765 13.320 1.00 73.21 H new ATOM 0 HG1 THR A 24 0.451 -28.086 13.018 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.064 -26.693 11.162 1.00 12.52 H new ATOM 0 HG22 THR A 24 0.927 -25.231 10.942 1.00 12.52 H new ATOM 0 HG23 THR A 24 1.629 -26.837 10.631 1.00 12.52 H new ATOM 363 N ARG A 25 3.906 -27.723 11.920 1.00 3.14 N ATOM 364 CA ARG A 25 4.873 -28.412 11.079 1.00 73.32 C ATOM 365 C ARG A 25 4.378 -28.524 9.642 1.00 50.00 C ATOM 366 O ARG A 25 3.347 -27.943 9.287 1.00 5.42 O ATOM 367 CB ARG A 25 5.185 -29.791 11.649 1.00 33.05 C ATOM 368 CG ARG A 25 5.794 -29.737 13.038 1.00 24.32 C ATOM 369 CD ARG A 25 6.123 -31.123 13.552 1.00 10.33 C ATOM 370 NE ARG A 25 6.609 -31.091 14.929 1.00 33.14 N ATOM 371 CZ ARG A 25 6.584 -32.141 15.747 1.00 2.41 C ATOM 372 NH1 ARG A 25 6.098 -33.301 15.330 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 7.028 -32.028 16.992 1.00 62.54 N ATOM 0 H ARG A 25 3.348 -28.338 12.512 1.00 3.14 H new ATOM 0 HA ARG A 25 5.790 -27.823 11.069 1.00 73.32 H new ATOM 0 HB2 ARG A 25 4.268 -30.379 11.683 1.00 33.05 H new ATOM 0 HB3 ARG A 25 5.871 -30.308 10.978 1.00 33.05 H new ATOM 0 HG2 ARG A 25 6.700 -29.131 13.016 1.00 24.32 H new ATOM 0 HG3 ARG A 25 5.100 -29.249 13.722 1.00 24.32 H new ATOM 0 HD2 ARG A 25 5.235 -31.752 13.495 1.00 10.33 H new ATOM 0 HD3 ARG A 25 6.878 -31.578 12.911 1.00 10.33 H new ATOM 0 HE ARG A 25 6.989 -30.214 15.284 1.00 33.14 H new ATOM 0 HH11 ARG A 25 5.741 -33.392 14.379 1.00 13.30 H new ATOM 0 HH12 ARG A 25 6.081 -34.103 15.960 1.00 13.30 H new ATOM 0 HH21 ARG A 25 7.390 -31.135 17.325 1.00 62.54 H new ATOM 0 HH22 ARG A 25 7.007 -32.835 17.616 1.00 62.54 H new ATOM 387 N ASP A 26 5.116 -29.286 8.828 1.00 11.55 N ATOM 388 CA ASP A 26 4.932 -29.323 7.369 1.00 13.41 C ATOM 389 C ASP A 26 5.323 -27.989 6.737 1.00 2.54 C ATOM 390 O ASP A 26 5.977 -27.953 5.703 1.00 54.04 O ATOM 391 CB ASP A 26 3.501 -29.700 6.970 1.00 51.21 C ATOM 392 CG ASP A 26 3.242 -29.497 5.487 1.00 14.41 C ATOM 393 OD1 ASP A 26 3.998 -30.054 4.654 1.00 15.50 O ATOM 394 OD2 ASP A 26 2.275 -28.788 5.146 1.00 15.44 O1- ATOM 0 H ASP A 26 5.861 -29.898 9.161 1.00 11.55 H new ATOM 0 HA ASP A 26 5.592 -30.103 6.990 1.00 13.41 H new ATOM 0 HB2 ASP A 26 3.317 -30.743 7.229 1.00 51.21 H new ATOM 0 HB3 ASP A 26 2.796 -29.100 7.545 1.00 51.21 H new ATOM 399 N GLN A 27 4.917 -26.899 7.372 1.00 2.23 N ATOM 400 CA GLN A 27 5.324 -25.562 6.975 1.00 4.51 C ATOM 401 C GLN A 27 6.799 -25.344 7.299 1.00 2.23 C ATOM 402 O GLN A 27 7.507 -26.290 7.638 1.00 21.25 O ATOM 403 CB GLN A 27 4.475 -24.529 7.711 1.00 41.02 C ATOM 404 CG GLN A 27 2.992 -24.622 7.396 1.00 12.33 C ATOM 405 CD GLN A 27 2.142 -23.729 8.278 1.00 33.35 C ATOM 406 OE1 GLN A 27 2.547 -23.560 9.529 1.00 70.15 O flip ATOM 407 NE2 GLN A 27 1.114 -23.207 7.844 1.00 42.30 N flip ATOM 0 H GLN A 27 4.294 -26.919 8.179 1.00 2.23 H new ATOM 0 HA GLN A 27 5.179 -25.450 5.900 1.00 4.51 H new ATOM 0 HB2 GLN A 27 4.618 -24.652 8.785 1.00 41.02 H new ATOM 0 HB3 GLN A 27 4.830 -23.531 7.455 1.00 41.02 H new ATOM 0 HG2 GLN A 27 2.830 -24.352 6.352 1.00 12.33 H new ATOM 0 HG3 GLN A 27 2.666 -25.655 7.513 1.00 12.33 H new ATOM 0 HE21 GLN A 27 0.834 -23.360 6.875 1.00 42.30 H new ATOM 0 HE22 GLN A 27 0.543 -22.622 8.454 1.00 42.30 H new ATOM 416 N VAL A 28 7.242 -24.091 7.167 1.00 40.51 N ATOM 417 CA VAL A 28 8.629 -23.667 7.439 1.00 21.23 C ATOM 418 C VAL A 28 9.645 -24.434 6.586 1.00 20.45 C ATOM 419 O VAL A 28 10.854 -24.317 6.780 1.00 35.23 O ATOM 420 CB VAL A 28 9.021 -23.725 8.950 1.00 75.00 C ATOM 421 CG1 VAL A 28 7.913 -23.153 9.818 1.00 3.34 C ATOM 422 CG2 VAL A 28 9.398 -25.126 9.416 1.00 12.44 C ATOM 0 H VAL A 28 6.641 -23.325 6.863 1.00 40.51 H new ATOM 0 HA VAL A 28 8.662 -22.616 7.151 1.00 21.23 H new ATOM 0 HB VAL A 28 9.914 -23.109 9.060 1.00 75.00 H new ATOM 0 HG11 VAL A 28 8.209 -23.204 10.866 1.00 3.34 H new ATOM 0 HG12 VAL A 28 7.734 -22.114 9.542 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.000 -23.730 9.670 1.00 3.34 H new ATOM 0 HG21 VAL A 28 9.660 -25.099 10.474 1.00 12.44 H new ATOM 0 HG22 VAL A 28 8.553 -25.798 9.268 1.00 12.44 H new ATOM 0 HG23 VAL A 28 10.251 -25.484 8.840 1.00 12.44 H new ATOM 432 N LYS A 29 9.142 -25.196 5.621 1.00 1.44 N ATOM 433 CA LYS A 29 9.989 -25.845 4.633 1.00 53.22 C ATOM 434 C LYS A 29 10.296 -24.852 3.523 1.00 71.12 C ATOM 435 O LYS A 29 11.259 -25.005 2.769 1.00 33.02 O ATOM 436 CB LYS A 29 9.294 -27.086 4.061 1.00 54.41 C ATOM 437 CG LYS A 29 7.963 -26.778 3.389 1.00 70.52 C ATOM 438 CD LYS A 29 7.216 -28.044 3.002 1.00 33.02 C ATOM 439 CE LYS A 29 5.830 -27.728 2.460 1.00 11.13 C ATOM 440 NZ LYS A 29 4.993 -28.949 2.304 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.145 -25.379 5.504 1.00 1.44 H new ATOM 0 HA LYS A 29 10.917 -26.168 5.105 1.00 53.22 H new ATOM 0 HB2 LYS A 29 9.956 -27.563 3.338 1.00 54.41 H new ATOM 0 HB3 LYS A 29 9.129 -27.804 4.865 1.00 54.41 H new ATOM 0 HG2 LYS A 29 7.345 -26.184 4.063 1.00 70.52 H new ATOM 0 HG3 LYS A 29 8.137 -26.173 2.499 1.00 70.52 H new ATOM 0 HD2 LYS A 29 7.787 -28.589 2.250 1.00 33.02 H new ATOM 0 HD3 LYS A 29 7.128 -28.696 3.871 1.00 33.02 H new ATOM 0 HE2 LYS A 29 5.330 -27.031 3.132 1.00 11.13 H new ATOM 0 HE3 LYS A 29 5.924 -27.229 1.495 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 4.120 -28.708 1.793 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 5.522 -29.666 1.767 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 4.752 -29.327 3.242 1.00 21.55 H new ATOM 454 N ALA A 30 9.457 -23.829 3.442 1.00 52.32 N ATOM 455 CA ALA A 30 9.619 -22.762 2.477 1.00 14.13 C ATOM 456 C ALA A 30 8.923 -21.501 2.972 1.00 61.32 C ATOM 457 O ALA A 30 7.695 -21.393 2.929 1.00 75.11 O ATOM 458 CB ALA A 30 9.079 -23.182 1.119 1.00 4.23 C ATOM 0 H ALA A 30 8.644 -23.720 4.048 1.00 52.32 H new ATOM 0 HA ALA A 30 10.682 -22.549 2.364 1.00 14.13 H new ATOM 0 HB1 ALA A 30 9.210 -22.367 0.407 1.00 4.23 H new ATOM 0 HB2 ALA A 30 9.620 -24.060 0.768 1.00 4.23 H new ATOM 0 HB3 ALA A 30 8.019 -23.420 1.207 1.00 4.23 H new ATOM 464 N ILE A 31 9.712 -20.573 3.485 1.00 25.12 N ATOM 465 CA ILE A 31 9.204 -19.287 3.935 1.00 40.14 C ATOM 466 C ILE A 31 9.896 -18.180 3.155 1.00 74.23 C ATOM 467 O ILE A 31 11.070 -18.300 2.812 1.00 4.24 O ATOM 468 CB ILE A 31 9.444 -19.069 5.449 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.869 -20.229 6.264 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.830 -17.752 5.906 1.00 41.23 C ATOM 471 CD1 ILE A 31 9.134 -20.121 7.751 1.00 3.32 C ATOM 0 H ILE A 31 10.719 -20.688 3.601 1.00 25.12 H new ATOM 0 HA ILE A 31 8.128 -19.269 3.761 1.00 40.14 H new ATOM 0 HB ILE A 31 10.520 -19.029 5.616 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.793 -20.279 6.099 1.00 11.21 H new ATOM 0 HG13 ILE A 31 9.291 -21.164 5.896 1.00 11.21 H new ATOM 0 HG21 ILE A 31 9.010 -17.618 6.973 1.00 41.23 H new ATOM 0 HG22 ILE A 31 9.284 -16.928 5.355 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.756 -17.766 5.718 1.00 41.23 H new ATOM 0 HD11 ILE A 31 8.696 -20.979 8.262 1.00 3.32 H new ATOM 0 HD12 ILE A 31 10.209 -20.103 7.929 1.00 3.32 H new ATOM 0 HD13 ILE A 31 8.687 -19.204 8.134 1.00 3.32 H new ATOM 483 N ASN A 32 9.175 -17.118 2.862 1.00 72.34 N ATOM 484 CA ASN A 32 9.749 -16.014 2.120 1.00 15.12 C ATOM 485 C ASN A 32 10.389 -15.020 3.080 1.00 73.04 C ATOM 486 O ASN A 32 11.611 -14.850 3.091 1.00 13.03 O ATOM 487 CB ASN A 32 8.675 -15.340 1.273 1.00 71.30 C ATOM 488 CG ASN A 32 9.247 -14.532 0.131 1.00 3.15 C ATOM 489 OD1 ASN A 32 10.321 -13.943 0.234 1.00 51.12 O ATOM 490 ND2 ASN A 32 8.541 -14.535 -0.981 1.00 22.03 N ATOM 0 H ASN A 32 8.197 -16.995 3.124 1.00 72.34 H new ATOM 0 HA ASN A 32 10.523 -16.392 1.452 1.00 15.12 H new ATOM 0 HB2 ASN A 32 8.005 -16.101 0.873 1.00 71.30 H new ATOM 0 HB3 ASN A 32 8.075 -14.688 1.908 1.00 71.30 H new ATOM 0 HD21 ASN A 32 8.881 -14.035 -1.802 1.00 22.03 H new ATOM 0 HD22 ASN A 32 7.654 -15.038 -1.021 1.00 22.03 H new ATOM 497 N PHE A 33 9.564 -14.383 3.901 1.00 4.32 N ATOM 498 CA PHE A 33 10.049 -13.446 4.907 1.00 60.13 C ATOM 499 C PHE A 33 9.216 -13.550 6.178 1.00 71.25 C ATOM 500 O PHE A 33 7.995 -13.714 6.120 1.00 43.02 O ATOM 501 CB PHE A 33 9.998 -12.001 4.393 1.00 25.12 C ATOM 502 CG PHE A 33 10.972 -11.692 3.291 1.00 51.52 C ATOM 503 CD1 PHE A 33 10.522 -11.318 2.036 1.00 50.10 C ATOM 504 CD2 PHE A 33 12.337 -11.768 3.513 1.00 1.10 C ATOM 505 CE1 PHE A 33 11.414 -11.023 1.022 1.00 3.21 C ATOM 506 CE2 PHE A 33 13.234 -11.480 2.505 1.00 62.54 C ATOM 507 CZ PHE A 33 12.772 -11.106 1.257 1.00 65.33 C ATOM 0 H PHE A 33 8.551 -14.499 3.890 1.00 4.32 H new ATOM 0 HA PHE A 33 11.085 -13.708 5.123 1.00 60.13 H new ATOM 0 HB2 PHE A 33 8.989 -11.792 4.037 1.00 25.12 H new ATOM 0 HB3 PHE A 33 10.188 -11.326 5.227 1.00 25.12 H new ATOM 0 HD1 PHE A 33 9.460 -11.256 1.847 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.704 -12.056 4.487 1.00 1.10 H new ATOM 0 HE1 PHE A 33 11.050 -10.728 0.049 1.00 3.21 H new ATOM 0 HE2 PHE A 33 14.296 -11.547 2.691 1.00 62.54 H new ATOM 0 HZ PHE A 33 13.472 -10.879 0.467 1.00 65.33 H new ATOM 517 N LEU A 34 9.870 -13.460 7.321 1.00 45.21 N ATOM 518 CA LEU A 34 9.169 -13.416 8.598 1.00 44.33 C ATOM 519 C LEU A 34 8.713 -11.989 8.874 1.00 61.32 C ATOM 520 O LEU A 34 9.492 -11.056 8.718 1.00 5.11 O ATOM 521 CB LEU A 34 10.065 -13.910 9.746 1.00 2.10 C ATOM 522 CG LEU A 34 10.315 -15.424 9.811 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.998 -16.189 9.806 1.00 10.42 C ATOM 524 CD2 LEU A 34 11.210 -15.886 8.669 1.00 73.11 C ATOM 0 H LEU A 34 10.886 -13.416 7.395 1.00 45.21 H new ATOM 0 HA LEU A 34 8.305 -14.078 8.540 1.00 44.33 H new ATOM 0 HB2 LEU A 34 11.029 -13.407 9.668 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.617 -13.596 10.689 1.00 2.10 H new ATOM 0 HG LEU A 34 10.832 -15.636 10.747 1.00 42.44 H new ATOM 0 HD11 LEU A 34 9.199 -17.259 9.853 1.00 10.42 H new ATOM 0 HD12 LEU A 34 8.402 -15.894 10.670 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.449 -15.962 8.892 1.00 10.42 H new ATOM 0 HD21 LEU A 34 11.368 -16.962 8.743 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.734 -15.654 7.717 1.00 73.11 H new ATOM 0 HD23 LEU A 34 12.170 -15.373 8.729 1.00 73.11 H new ATOM 536 N PRO A 35 7.443 -11.796 9.267 1.00 32.22 N ATOM 537 CA PRO A 35 6.886 -10.459 9.519 1.00 5.03 C ATOM 538 C PRO A 35 7.666 -9.701 10.590 1.00 10.23 C ATOM 539 O PRO A 35 8.073 -10.285 11.600 1.00 63.24 O ATOM 540 CB PRO A 35 5.452 -10.739 9.993 1.00 22.10 C ATOM 541 CG PRO A 35 5.440 -12.180 10.381 1.00 24.21 C ATOM 542 CD PRO A 35 6.449 -12.855 9.498 1.00 34.40 C ATOM 0 HA PRO A 35 6.932 -9.829 8.631 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.185 -10.102 10.837 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.730 -10.539 9.201 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.698 -12.303 11.433 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.449 -12.613 10.243 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.891 -13.726 9.982 1.00 34.40 H new ATOM 0 HD3 PRO A 35 6.003 -13.201 8.566 1.00 34.40 H new ATOM 550 N VAL A 36 7.872 -8.404 10.362 1.00 60.55 N ATOM 551 CA VAL A 36 8.608 -7.559 11.299 1.00 53.33 C ATOM 552 C VAL A 36 7.836 -7.382 12.614 1.00 1.10 C ATOM 553 O VAL A 36 7.082 -6.423 12.804 1.00 72.31 O ATOM 554 CB VAL A 36 8.966 -6.185 10.670 1.00 4.21 C ATOM 555 CG1 VAL A 36 7.736 -5.498 10.093 1.00 64.12 C ATOM 556 CG2 VAL A 36 9.663 -5.284 11.683 1.00 25.11 C ATOM 0 H VAL A 36 7.537 -7.915 9.532 1.00 60.55 H new ATOM 0 HA VAL A 36 9.544 -8.068 11.528 1.00 53.33 H new ATOM 0 HB VAL A 36 9.657 -6.372 9.848 1.00 4.21 H new ATOM 0 HG11 VAL A 36 8.024 -4.539 9.661 1.00 64.12 H new ATOM 0 HG12 VAL A 36 7.297 -6.128 9.319 1.00 64.12 H new ATOM 0 HG13 VAL A 36 7.005 -5.335 10.885 1.00 64.12 H new ATOM 0 HG21 VAL A 36 9.902 -4.329 11.216 1.00 25.11 H new ATOM 0 HG22 VAL A 36 9.004 -5.117 12.535 1.00 25.11 H new ATOM 0 HG23 VAL A 36 10.582 -5.762 12.023 1.00 25.11 H new ATOM 566 N ASP A 37 8.024 -8.361 13.491 1.00 75.53 N ATOM 567 CA ASP A 37 7.387 -8.424 14.804 1.00 0.24 C ATOM 568 C ASP A 37 7.550 -9.824 15.363 1.00 61.43 C ATOM 569 O ASP A 37 7.636 -10.017 16.575 1.00 74.15 O ATOM 570 CB ASP A 37 5.887 -8.101 14.750 1.00 1.03 C ATOM 571 CG ASP A 37 5.206 -8.353 16.083 1.00 73.54 C ATOM 572 OD1 ASP A 37 5.308 -7.494 16.981 1.00 11.24 O ATOM 573 OD2 ASP A 37 4.589 -9.427 16.249 1.00 24.30 O1- ATOM 0 H ASP A 37 8.639 -9.154 13.306 1.00 75.53 H new ATOM 0 HA ASP A 37 7.870 -7.677 15.434 1.00 0.24 H new ATOM 0 HB2 ASP A 37 5.750 -7.058 14.464 1.00 1.03 H new ATOM 0 HB3 ASP A 37 5.412 -8.708 13.979 1.00 1.03 H new ATOM 578 N TYR A 38 7.592 -10.791 14.449 1.00 64.13 N ATOM 579 CA TYR A 38 7.630 -12.202 14.801 1.00 64.04 C ATOM 580 C TYR A 38 8.820 -12.516 15.696 1.00 13.41 C ATOM 581 O TYR A 38 9.927 -12.018 15.479 1.00 72.14 O ATOM 582 CB TYR A 38 7.686 -13.057 13.534 1.00 31.23 C ATOM 583 CG TYR A 38 7.133 -14.450 13.723 1.00 53.15 C ATOM 584 CD1 TYR A 38 7.946 -15.503 14.120 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.787 -14.707 13.509 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.431 -16.774 14.298 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.265 -15.974 13.683 1.00 74.11 C ATOM 588 CZ TYR A 38 6.090 -17.003 14.076 1.00 52.12 C ATOM 589 OH TYR A 38 5.572 -18.266 14.258 1.00 52.04 O ATOM 0 H TYR A 38 7.601 -10.615 13.444 1.00 64.13 H new ATOM 0 HA TYR A 38 6.721 -12.437 15.354 1.00 64.04 H new ATOM 0 HB2 TYR A 38 7.127 -12.557 12.743 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.721 -13.128 13.198 1.00 31.23 H new ATOM 0 HD1 TYR A 38 8.997 -15.327 14.293 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.136 -13.902 13.201 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.076 -17.583 14.609 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.214 -16.156 13.511 1.00 74.11 H new ATOM 0 HH TYR A 38 6.045 -18.900 13.679 1.00 52.04 H new ATOM 599 N GLU A 39 8.575 -13.339 16.701 1.00 24.42 N ATOM 600 CA GLU A 39 9.587 -13.681 17.684 1.00 12.31 C ATOM 601 C GLU A 39 9.797 -15.190 17.727 1.00 14.54 C ATOM 602 O GLU A 39 8.839 -15.961 17.635 1.00 3.41 O ATOM 603 CB GLU A 39 9.161 -13.165 19.059 1.00 45.13 C ATOM 604 CG GLU A 39 8.940 -11.659 19.094 1.00 72.52 C ATOM 605 CD GLU A 39 8.030 -11.229 20.222 1.00 31.14 C ATOM 606 OE1 GLU A 39 6.794 -11.266 20.034 1.00 5.53 O ATOM 607 OE2 GLU A 39 8.537 -10.852 21.294 1.00 51.15 O1- ATOM 0 H GLU A 39 7.672 -13.787 16.858 1.00 24.42 H new ATOM 0 HA GLU A 39 10.530 -13.212 17.402 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.241 -13.667 19.359 1.00 45.13 H new ATOM 0 HB3 GLU A 39 9.923 -13.431 19.791 1.00 45.13 H new ATOM 0 HG2 GLU A 39 9.902 -11.157 19.197 1.00 72.52 H new ATOM 0 HG3 GLU A 39 8.512 -11.336 18.145 1.00 72.52 H new ATOM 614 N ILE A 40 11.051 -15.607 17.843 1.00 4.54 N ATOM 615 CA ILE A 40 11.384 -17.024 17.927 1.00 42.33 C ATOM 616 C ILE A 40 12.275 -17.302 19.134 1.00 75.11 C ATOM 617 O ILE A 40 12.968 -16.407 19.627 1.00 0.45 O ATOM 618 CB ILE A 40 12.096 -17.534 16.654 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.374 -16.733 16.397 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.165 -17.465 15.453 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.171 -17.222 15.209 1.00 11.34 C ATOM 0 H ILE A 40 11.857 -14.983 17.881 1.00 4.54 H new ATOM 0 HA ILE A 40 10.439 -17.556 18.032 1.00 42.33 H new ATOM 0 HB ILE A 40 12.372 -18.577 16.809 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.111 -15.687 16.241 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.003 -16.774 17.286 1.00 63.20 H new ATOM 0 HG21 ILE A 40 11.686 -17.829 14.567 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.287 -18.084 15.637 1.00 63.11 H new ATOM 0 HG23 ILE A 40 10.854 -16.433 15.293 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.062 -16.606 15.090 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.466 -18.259 15.371 1.00 11.34 H new ATOM 0 HD13 ILE A 40 13.560 -17.155 14.309 1.00 11.34 H new ATOM 633 N GLU A 41 12.260 -18.546 19.594 1.00 61.12 N ATOM 634 CA GLU A 41 13.061 -18.951 20.738 1.00 13.03 C ATOM 635 C GLU A 41 14.040 -20.055 20.342 1.00 60.15 C ATOM 636 O GLU A 41 13.777 -20.830 19.419 1.00 54.15 O ATOM 637 CB GLU A 41 12.154 -19.433 21.872 1.00 74.33 C ATOM 638 CG GLU A 41 12.895 -19.682 23.173 1.00 15.40 C ATOM 639 CD GLU A 41 12.001 -20.209 24.274 1.00 2.52 C ATOM 640 OE1 GLU A 41 11.234 -19.419 24.851 1.00 21.53 O ATOM 641 OE2 GLU A 41 12.087 -21.416 24.589 1.00 65.45 O1- ATOM 0 H GLU A 41 11.698 -19.295 19.189 1.00 61.12 H new ATOM 0 HA GLU A 41 13.632 -18.089 21.084 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.374 -18.691 22.043 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.657 -20.353 21.564 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.700 -20.395 22.995 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.359 -18.753 23.503 1.00 15.40 H new ATOM 648 N TYR A 42 15.167 -20.113 21.040 1.00 75.13 N ATOM 649 CA TYR A 42 16.185 -21.127 20.790 1.00 70.02 C ATOM 650 C TYR A 42 16.074 -22.269 21.786 1.00 70.13 C ATOM 651 O TYR A 42 16.468 -22.132 22.943 1.00 31.24 O ATOM 652 CB TYR A 42 17.590 -20.531 20.871 1.00 71.13 C ATOM 653 CG TYR A 42 17.920 -19.569 19.759 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.026 -20.008 18.443 1.00 42.45 C ATOM 655 CD2 TYR A 42 18.143 -18.226 20.024 1.00 74.53 C ATOM 656 CE1 TYR A 42 18.345 -19.131 17.424 1.00 52.40 C ATOM 657 CE2 TYR A 42 18.458 -17.346 19.012 1.00 60.14 C ATOM 658 CZ TYR A 42 18.560 -17.803 17.716 1.00 71.20 C ATOM 659 OH TYR A 42 18.882 -16.921 16.708 1.00 33.12 O ATOM 0 H TYR A 42 15.401 -19.463 21.791 1.00 75.13 H new ATOM 0 HA TYR A 42 16.015 -21.509 19.783 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.699 -20.016 21.826 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.318 -21.343 20.862 1.00 71.13 H new ATOM 0 HD1 TYR A 42 17.856 -21.050 18.215 1.00 42.45 H new ATOM 0 HD2 TYR A 42 18.069 -17.865 21.039 1.00 74.53 H new ATOM 0 HE1 TYR A 42 18.425 -19.485 16.407 1.00 52.40 H new ATOM 0 HE2 TYR A 42 18.624 -16.302 19.233 1.00 60.14 H new ATOM 0 HH TYR A 42 18.245 -17.020 15.970 1.00 33.12 H new ATOM 669 N VAL A 43 15.507 -23.376 21.349 1.00 14.33 N ATOM 670 CA VAL A 43 15.435 -24.568 22.178 1.00 13.01 C ATOM 671 C VAL A 43 16.580 -25.515 21.832 1.00 43.53 C ATOM 672 O VAL A 43 17.218 -25.370 20.790 1.00 23.35 O ATOM 673 CB VAL A 43 14.086 -25.303 22.012 1.00 2.42 C ATOM 674 CG1 VAL A 43 12.944 -24.451 22.543 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.841 -25.676 20.556 1.00 10.23 C ATOM 0 H VAL A 43 15.089 -23.477 20.424 1.00 14.33 H new ATOM 0 HA VAL A 43 15.519 -24.250 23.217 1.00 13.01 H new ATOM 0 HB VAL A 43 14.131 -26.224 22.593 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.002 -24.985 22.417 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.106 -24.244 23.601 1.00 12.10 H new ATOM 0 HG13 VAL A 43 12.904 -23.511 21.992 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.885 -26.192 20.469 1.00 10.23 H new ATOM 0 HG22 VAL A 43 13.823 -24.772 19.947 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.640 -26.331 20.209 1.00 10.23 H new ATOM 685 N CYS A 44 16.850 -26.475 22.704 1.00 44.41 N ATOM 686 CA CYS A 44 17.897 -27.451 22.443 1.00 33.42 C ATOM 687 C CYS A 44 17.305 -28.645 21.699 1.00 23.24 C ATOM 688 O CYS A 44 16.092 -28.712 21.483 1.00 51.42 O ATOM 689 CB CYS A 44 18.561 -27.886 23.754 1.00 2.24 C ATOM 690 SG CYS A 44 20.072 -28.893 23.553 1.00 3.51 S ATOM 0 H CYS A 44 16.363 -26.599 23.592 1.00 44.41 H new ATOM 0 HA CYS A 44 18.667 -26.999 21.818 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.809 -26.996 24.332 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.838 -28.454 24.339 1.00 2.24 H new ATOM 695 N ARG A 45 18.153 -29.579 21.299 1.00 62.05 N ATOM 696 CA ARG A 45 17.717 -30.697 20.482 1.00 5.01 C ATOM 697 C ARG A 45 16.958 -31.719 21.323 1.00 54.03 C ATOM 698 O ARG A 45 17.495 -32.274 22.282 1.00 24.32 O ATOM 699 CB ARG A 45 18.921 -31.350 19.798 1.00 71.44 C ATOM 700 CG ARG A 45 18.612 -31.931 18.425 1.00 42.32 C ATOM 701 CD ARG A 45 17.674 -33.127 18.500 1.00 12.32 C ATOM 702 NE ARG A 45 17.177 -33.508 17.179 1.00 32.41 N ATOM 703 CZ ARG A 45 17.033 -34.765 16.764 1.00 70.05 C ATOM 704 NH1 ARG A 45 17.330 -35.781 17.567 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 16.578 -35.006 15.541 1.00 35.41 N ATOM 0 H ARG A 45 19.147 -29.584 21.528 1.00 62.05 H new ATOM 0 HA ARG A 45 17.040 -30.322 19.715 1.00 5.01 H new ATOM 0 HB2 ARG A 45 19.715 -30.610 19.698 1.00 71.44 H new ATOM 0 HB3 ARG A 45 19.304 -32.144 20.439 1.00 71.44 H new ATOM 0 HG2 ARG A 45 18.163 -31.159 17.799 1.00 42.32 H new ATOM 0 HG3 ARG A 45 19.542 -32.232 17.943 1.00 42.32 H new ATOM 0 HD2 ARG A 45 18.196 -33.971 18.950 1.00 12.32 H new ATOM 0 HD3 ARG A 45 16.833 -32.889 19.151 1.00 12.32 H new ATOM 0 HE ARG A 45 16.924 -32.761 16.532 1.00 32.41 H new ATOM 0 HH11 ARG A 45 17.672 -35.602 18.511 1.00 54.35 H new ATOM 0 HH12 ARG A 45 17.216 -36.740 17.239 1.00 54.35 H new ATOM 0 HH21 ARG A 45 16.340 -34.230 14.923 1.00 35.41 H new ATOM 0 HH22 ARG A 45 16.466 -35.967 15.219 1.00 35.41 H new ATOM 719 N GLY A 46 15.702 -31.941 20.967 1.00 62.21 N ATOM 720 CA GLY A 46 14.914 -32.972 21.608 1.00 35.13 C ATOM 721 C GLY A 46 14.160 -32.468 22.819 1.00 50.42 C ATOM 722 O GLY A 46 13.114 -31.830 22.690 1.00 24.32 O ATOM 0 H GLY A 46 15.211 -31.421 20.240 1.00 62.21 H new ATOM 0 HA2 GLY A 46 14.204 -33.380 20.888 1.00 35.13 H new ATOM 0 HA3 GLY A 46 15.569 -33.789 21.908 1.00 35.13 H new ATOM 726 N GLU A 47 14.699 -32.740 23.994 1.00 62.41 N ATOM 727 CA GLU A 47 14.018 -32.427 25.241 1.00 21.42 C ATOM 728 C GLU A 47 14.962 -31.753 26.232 1.00 12.53 C ATOM 729 O GLU A 47 14.724 -31.760 27.437 1.00 4.41 O ATOM 730 CB GLU A 47 13.451 -33.712 25.846 1.00 22.13 C ATOM 731 CG GLU A 47 14.499 -34.795 26.056 1.00 11.01 C ATOM 732 CD GLU A 47 13.923 -36.054 26.659 1.00 54.23 C ATOM 733 OE1 GLU A 47 13.780 -37.060 25.930 1.00 31.03 O ATOM 734 OE2 GLU A 47 13.603 -36.043 27.863 1.00 71.43 O1- ATOM 0 H GLU A 47 15.612 -33.180 24.113 1.00 62.41 H new ATOM 0 HA GLU A 47 13.206 -31.731 25.028 1.00 21.42 H new ATOM 0 HB2 GLU A 47 12.984 -33.479 26.803 1.00 22.13 H new ATOM 0 HB3 GLU A 47 12.667 -34.097 25.194 1.00 22.13 H new ATOM 0 HG2 GLU A 47 14.964 -35.035 25.100 1.00 11.01 H new ATOM 0 HG3 GLU A 47 15.286 -34.412 26.706 1.00 11.01 H new ATOM 741 N ARG A 48 16.028 -31.166 25.715 1.00 3.22 N ATOM 742 CA ARG A 48 17.010 -30.502 26.555 1.00 11.31 C ATOM 743 C ARG A 48 16.741 -29.006 26.629 1.00 51.34 C ATOM 744 O ARG A 48 16.325 -28.393 25.645 1.00 74.21 O ATOM 745 CB ARG A 48 18.416 -30.752 26.018 1.00 14.32 C ATOM 746 CG ARG A 48 18.876 -32.187 26.175 1.00 42.31 C ATOM 747 CD ARG A 48 18.964 -32.575 27.640 1.00 42.54 C ATOM 748 NE ARG A 48 19.426 -33.945 27.818 1.00 62.44 N ATOM 749 CZ ARG A 48 20.499 -34.277 28.531 1.00 10.24 C ATOM 750 NH1 ARG A 48 21.250 -33.332 29.090 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 20.827 -35.550 28.678 1.00 20.12 N ATOM 0 H ARG A 48 16.236 -31.136 24.717 1.00 3.22 H new ATOM 0 HA ARG A 48 16.931 -30.915 27.561 1.00 11.31 H new ATOM 0 HB2 ARG A 48 18.447 -30.482 24.962 1.00 14.32 H new ATOM 0 HB3 ARG A 48 19.116 -30.096 26.535 1.00 14.32 H new ATOM 0 HG2 ARG A 48 18.183 -32.853 25.660 1.00 42.31 H new ATOM 0 HG3 ARG A 48 19.850 -32.314 25.703 1.00 42.31 H new ATOM 0 HD2 ARG A 48 19.642 -31.895 28.155 1.00 42.54 H new ATOM 0 HD3 ARG A 48 17.985 -32.460 28.104 1.00 42.54 H new ATOM 0 HE ARG A 48 18.896 -34.693 27.370 1.00 62.44 H new ATOM 0 HH11 ARG A 48 21.004 -32.349 28.973 1.00 25.54 H new ATOM 0 HH12 ARG A 48 22.072 -33.590 29.636 1.00 25.54 H new ATOM 0 HH21 ARG A 48 20.257 -36.277 28.245 1.00 20.12 H new ATOM 0 HH22 ARG A 48 21.650 -35.805 29.225 1.00 20.12 H new ATOM 765 N GLU A 49 16.969 -28.429 27.801 1.00 44.11 N ATOM 766 CA GLU A 49 16.814 -26.995 27.996 1.00 30.02 C ATOM 767 C GLU A 49 18.143 -26.276 27.812 1.00 63.13 C ATOM 768 O GLU A 49 19.212 -26.857 28.008 1.00 72.31 O ATOM 769 CB GLU A 49 16.262 -26.690 29.392 1.00 5.24 C ATOM 770 CG GLU A 49 14.745 -26.736 29.496 1.00 21.11 C ATOM 771 CD GLU A 49 14.160 -28.081 29.134 1.00 74.41 C ATOM 772 OE1 GLU A 49 13.613 -28.210 28.019 1.00 50.41 O ATOM 773 OE2 GLU A 49 14.233 -29.007 29.969 1.00 41.04 O1- ATOM 0 H GLU A 49 17.264 -28.936 28.635 1.00 44.11 H new ATOM 0 HA GLU A 49 16.108 -26.637 27.247 1.00 30.02 H new ATOM 0 HB2 GLU A 49 16.684 -27.404 30.099 1.00 5.24 H new ATOM 0 HB3 GLU A 49 16.604 -25.701 29.696 1.00 5.24 H new ATOM 0 HG2 GLU A 49 14.450 -26.482 30.514 1.00 21.11 H new ATOM 0 HG3 GLU A 49 14.320 -25.975 28.842 1.00 21.11 H new ATOM 780 N VAL A 50 18.063 -25.011 27.432 1.00 34.14 N ATOM 781 CA VAL A 50 19.243 -24.170 27.279 1.00 54.31 C ATOM 782 C VAL A 50 19.168 -22.993 28.241 1.00 4.42 C ATOM 783 O VAL A 50 18.073 -22.562 28.619 1.00 41.03 O ATOM 784 CB VAL A 50 19.393 -23.619 25.838 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.480 -24.746 24.823 1.00 14.02 C ATOM 786 CG2 VAL A 50 18.249 -22.680 25.491 1.00 31.42 C ATOM 0 H VAL A 50 17.184 -24.539 27.221 1.00 34.14 H new ATOM 0 HA VAL A 50 20.108 -24.796 27.498 1.00 54.31 H new ATOM 0 HB VAL A 50 20.325 -23.055 25.799 1.00 15.41 H new ATOM 0 HG11 VAL A 50 19.585 -24.327 23.822 1.00 14.02 H new ATOM 0 HG12 VAL A 50 20.344 -25.371 25.047 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.574 -25.349 24.871 1.00 14.02 H new ATOM 0 HG21 VAL A 50 18.379 -22.308 24.475 1.00 31.42 H new ATOM 0 HG22 VAL A 50 17.303 -23.217 25.563 1.00 31.42 H new ATOM 0 HG23 VAL A 50 18.243 -21.841 26.187 1.00 31.42 H new ATOM 796 N VAL A 51 20.316 -22.490 28.661 1.00 23.20 N ATOM 797 CA VAL A 51 20.345 -21.279 29.461 1.00 2.24 C ATOM 798 C VAL A 51 21.044 -20.157 28.688 1.00 12.52 C ATOM 799 O VAL A 51 22.273 -20.068 28.637 1.00 73.23 O ATOM 800 CB VAL A 51 21.013 -21.511 30.842 1.00 35.20 C ATOM 801 CG1 VAL A 51 22.388 -22.151 30.697 1.00 24.00 C ATOM 802 CG2 VAL A 51 21.098 -20.206 31.628 1.00 4.13 C ATOM 0 H VAL A 51 21.231 -22.896 28.464 1.00 23.20 H new ATOM 0 HA VAL A 51 19.315 -20.981 29.658 1.00 2.24 H new ATOM 0 HB VAL A 51 20.386 -22.206 31.401 1.00 35.20 H new ATOM 0 HG11 VAL A 51 22.826 -22.299 31.684 1.00 24.00 H new ATOM 0 HG12 VAL A 51 22.290 -23.114 30.195 1.00 24.00 H new ATOM 0 HG13 VAL A 51 23.033 -21.499 30.108 1.00 24.00 H new ATOM 0 HG21 VAL A 51 21.570 -20.392 32.593 1.00 4.13 H new ATOM 0 HG22 VAL A 51 21.690 -19.482 31.068 1.00 4.13 H new ATOM 0 HG23 VAL A 51 20.095 -19.810 31.785 1.00 4.13 H new ATOM 812 N GLY A 52 20.236 -19.331 28.038 1.00 43.00 N ATOM 813 CA GLY A 52 20.756 -18.217 27.278 1.00 12.21 C ATOM 814 C GLY A 52 19.733 -17.110 27.141 1.00 21.54 C ATOM 815 O GLY A 52 18.572 -17.298 27.506 1.00 21.14 O ATOM 0 H GLY A 52 19.220 -19.416 28.025 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.650 -17.829 27.766 1.00 12.21 H new ATOM 0 HA3 GLY A 52 21.057 -18.560 26.288 1.00 12.21 H new ATOM 819 N PRO A 53 20.127 -15.939 26.624 1.00 41.45 N ATOM 820 CA PRO A 53 19.180 -14.880 26.261 1.00 13.20 C ATOM 821 C PRO A 53 18.419 -15.243 24.983 1.00 34.33 C ATOM 822 O PRO A 53 18.478 -14.530 23.978 1.00 53.40 O ATOM 823 CB PRO A 53 20.082 -13.665 26.034 1.00 30.31 C ATOM 824 CG PRO A 53 21.396 -14.239 25.631 1.00 70.42 C ATOM 825 CD PRO A 53 21.524 -15.549 26.362 1.00 22.42 C ATOM 0 HA PRO A 53 18.417 -14.709 27.021 1.00 13.20 H new ATOM 0 HB2 PRO A 53 19.680 -13.013 25.258 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.173 -13.065 26.939 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.441 -14.389 24.552 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.212 -13.566 25.893 1.00 70.42 H new ATOM 0 HD2 PRO A 53 22.042 -16.295 25.759 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.089 -15.438 27.287 1.00 22.42 H new ATOM 833 N LYS A 54 17.699 -16.359 25.041 1.00 53.33 N ATOM 834 CA LYS A 54 17.057 -16.936 23.868 1.00 53.43 C ATOM 835 C LYS A 54 15.781 -16.191 23.477 1.00 54.24 C ATOM 836 O LYS A 54 14.687 -16.515 23.936 1.00 72.35 O ATOM 837 CB LYS A 54 16.750 -18.425 24.102 1.00 14.34 C ATOM 838 CG LYS A 54 15.999 -18.714 25.397 1.00 2.25 C ATOM 839 CD LYS A 54 15.465 -20.137 25.433 1.00 62.01 C ATOM 840 CE LYS A 54 14.642 -20.385 26.686 1.00 22.54 C ATOM 841 NZ LYS A 54 13.914 -21.681 26.629 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.545 -16.886 25.900 1.00 53.33 H new ATOM 0 HA LYS A 54 17.758 -16.836 23.039 1.00 53.43 H new ATOM 0 HB2 LYS A 54 16.162 -18.799 23.264 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.688 -18.981 24.107 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.663 -18.553 26.246 1.00 2.25 H new ATOM 0 HG3 LYS A 54 15.172 -18.012 25.502 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.852 -20.320 24.550 1.00 62.01 H new ATOM 0 HD3 LYS A 54 16.296 -20.841 25.396 1.00 62.01 H new ATOM 0 HE2 LYS A 54 15.297 -20.375 27.557 1.00 22.54 H new ATOM 0 HE3 LYS A 54 13.927 -19.573 26.816 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 13.339 -21.794 27.488 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 13.295 -21.695 25.794 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 14.599 -22.461 26.565 1.00 20.32 H new ATOM 855 N VAL A 55 15.936 -15.182 22.636 1.00 2.14 N ATOM 856 CA VAL A 55 14.802 -14.505 22.036 1.00 11.43 C ATOM 857 C VAL A 55 15.257 -13.746 20.798 1.00 43.22 C ATOM 858 O VAL A 55 16.314 -13.109 20.800 1.00 65.24 O ATOM 859 CB VAL A 55 14.093 -13.544 23.027 1.00 34.24 C ATOM 860 CG1 VAL A 55 15.008 -12.411 23.461 1.00 71.14 C ATOM 861 CG2 VAL A 55 12.808 -12.994 22.422 1.00 74.12 C ATOM 0 H VAL A 55 16.844 -14.813 22.353 1.00 2.14 H new ATOM 0 HA VAL A 55 14.073 -15.266 21.757 1.00 11.43 H new ATOM 0 HB VAL A 55 13.838 -14.121 23.916 1.00 34.24 H new ATOM 0 HG11 VAL A 55 14.476 -11.759 24.154 1.00 71.14 H new ATOM 0 HG12 VAL A 55 15.889 -12.823 23.953 1.00 71.14 H new ATOM 0 HG13 VAL A 55 15.316 -11.837 22.587 1.00 71.14 H new ATOM 0 HG21 VAL A 55 12.328 -12.323 23.135 1.00 74.12 H new ATOM 0 HG22 VAL A 55 13.041 -12.447 21.509 1.00 74.12 H new ATOM 0 HG23 VAL A 55 12.134 -13.818 22.189 1.00 74.12 H new ATOM 871 N ARG A 56 14.493 -13.860 19.724 1.00 3.44 N ATOM 872 CA ARG A 56 14.797 -13.148 18.495 1.00 30.34 C ATOM 873 C ARG A 56 13.567 -12.438 17.975 1.00 34.22 C ATOM 874 O ARG A 56 12.548 -13.069 17.702 1.00 45.24 O ATOM 875 CB ARG A 56 15.317 -14.099 17.419 1.00 31.13 C ATOM 876 CG ARG A 56 16.632 -14.759 17.767 1.00 60.22 C ATOM 877 CD ARG A 56 17.718 -13.729 18.004 1.00 12.52 C ATOM 878 NE ARG A 56 18.988 -14.357 18.349 1.00 73.32 N ATOM 879 CZ ARG A 56 19.810 -13.902 19.291 1.00 41.54 C ATOM 880 NH1 ARG A 56 19.461 -12.864 20.040 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 20.972 -14.506 19.505 1.00 53.04 N ATOM 0 H ARG A 56 13.656 -14.441 19.679 1.00 3.44 H new ATOM 0 HA ARG A 56 15.572 -12.417 18.725 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.570 -14.872 17.240 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.434 -13.547 16.486 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.509 -15.373 18.659 1.00 60.22 H new ATOM 0 HG3 ARG A 56 16.931 -15.427 16.959 1.00 60.22 H new ATOM 0 HD2 ARG A 56 17.844 -13.120 17.109 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.414 -13.057 18.807 1.00 12.52 H new ATOM 0 HE ARG A 56 19.263 -15.196 17.837 1.00 73.32 H new ATOM 0 HH11 ARG A 56 18.559 -12.411 19.895 1.00 41.24 H new ATOM 0 HH12 ARG A 56 20.095 -12.519 20.761 1.00 41.24 H new ATOM 0 HH21 ARG A 56 21.235 -15.319 18.947 1.00 53.04 H new ATOM 0 HH22 ARG A 56 21.603 -14.158 20.227 1.00 53.04 H new ATOM 895 N LYS A 57 13.665 -11.130 17.846 1.00 33.31 N ATOM 896 CA LYS A 57 12.596 -10.349 17.258 1.00 4.11 C ATOM 897 C LYS A 57 12.973 -9.985 15.831 1.00 15.33 C ATOM 898 O LYS A 57 14.081 -9.510 15.581 1.00 3.22 O ATOM 899 CB LYS A 57 12.343 -9.084 18.081 1.00 43.11 C ATOM 900 CG LYS A 57 11.200 -8.224 17.563 1.00 71.30 C ATOM 901 CD LYS A 57 11.123 -6.894 18.301 1.00 14.43 C ATOM 902 CE LYS A 57 10.859 -7.089 19.785 1.00 11.33 C ATOM 903 NZ LYS A 57 10.869 -5.801 20.524 1.00 52.31 N1+ ATOM 0 H LYS A 57 14.475 -10.585 18.141 1.00 33.31 H new ATOM 0 HA LYS A 57 11.679 -10.938 17.252 1.00 4.11 H new ATOM 0 HB2 LYS A 57 12.130 -9.370 19.111 1.00 43.11 H new ATOM 0 HB3 LYS A 57 13.254 -8.486 18.098 1.00 43.11 H new ATOM 0 HG2 LYS A 57 11.334 -8.042 16.497 1.00 71.30 H new ATOM 0 HG3 LYS A 57 10.258 -8.761 17.679 1.00 71.30 H new ATOM 0 HD2 LYS A 57 12.057 -6.348 18.166 1.00 14.43 H new ATOM 0 HD3 LYS A 57 10.331 -6.283 17.868 1.00 14.43 H new ATOM 0 HE2 LYS A 57 9.894 -7.578 19.921 1.00 11.33 H new ATOM 0 HE3 LYS A 57 11.615 -7.754 20.204 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 10.685 -5.978 21.532 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 11.798 -5.346 20.416 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 10.131 -5.176 20.142 1.00 52.31 H new ATOM 917 N CYS A 58 12.071 -10.241 14.900 1.00 72.13 N ATOM 918 CA CYS A 58 12.317 -9.925 13.503 1.00 62.31 C ATOM 919 C CYS A 58 12.365 -8.413 13.302 1.00 74.10 C ATOM 920 O CYS A 58 11.622 -7.671 13.946 1.00 14.35 O ATOM 921 CB CYS A 58 11.236 -10.543 12.621 1.00 65.03 C ATOM 922 SG CYS A 58 11.553 -10.378 10.835 1.00 34.12 S ATOM 0 H CYS A 58 11.163 -10.666 15.085 1.00 72.13 H new ATOM 0 HA CYS A 58 13.281 -10.345 13.216 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.142 -11.601 12.867 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.280 -10.075 12.855 1.00 65.03 H new ATOM 927 N LEU A 59 13.238 -7.966 12.416 1.00 20.31 N ATOM 928 CA LEU A 59 13.435 -6.544 12.184 1.00 35.20 C ATOM 929 C LEU A 59 12.918 -6.149 10.809 1.00 35.41 C ATOM 930 O LEU A 59 12.379 -6.977 10.077 1.00 75.32 O ATOM 931 CB LEU A 59 14.920 -6.191 12.311 1.00 75.13 C ATOM 932 CG LEU A 59 15.549 -6.519 13.668 1.00 73.02 C ATOM 933 CD1 LEU A 59 17.036 -6.196 13.662 1.00 24.20 C ATOM 934 CD2 LEU A 59 14.841 -5.757 14.779 1.00 11.24 C ATOM 0 H LEU A 59 13.825 -8.571 11.842 1.00 20.31 H new ATOM 0 HA LEU A 59 12.873 -5.990 12.936 1.00 35.20 H new ATOM 0 HB2 LEU A 59 15.472 -6.720 11.534 1.00 75.13 H new ATOM 0 HB3 LEU A 59 15.042 -5.125 12.119 1.00 75.13 H new ATOM 0 HG LEU A 59 15.432 -7.587 13.852 1.00 73.02 H new ATOM 0 HD11 LEU A 59 17.464 -6.436 14.635 1.00 24.20 H new ATOM 0 HD12 LEU A 59 17.533 -6.785 12.891 1.00 24.20 H new ATOM 0 HD13 LEU A 59 17.177 -5.135 13.455 1.00 24.20 H new ATOM 0 HD21 LEU A 59 15.300 -6.001 15.737 1.00 11.24 H new ATOM 0 HD22 LEU A 59 14.927 -4.686 14.598 1.00 11.24 H new ATOM 0 HD23 LEU A 59 13.788 -6.038 14.799 1.00 11.24 H new ATOM 946 N ALA A 60 13.072 -4.877 10.465 1.00 33.55 N ATOM 947 CA ALA A 60 12.646 -4.375 9.163 1.00 14.42 C ATOM 948 C ALA A 60 13.671 -4.712 8.079 1.00 34.01 C ATOM 949 O ALA A 60 13.626 -4.170 6.973 1.00 3.23 O ATOM 950 CB ALA A 60 12.419 -2.870 9.233 1.00 21.55 C ATOM 0 H ALA A 60 13.490 -4.171 11.071 1.00 33.55 H new ATOM 0 HA ALA A 60 11.708 -4.863 8.898 1.00 14.42 H new ATOM 0 HB1 ALA A 60 12.101 -2.504 8.257 1.00 21.55 H new ATOM 0 HB2 ALA A 60 11.647 -2.652 9.971 1.00 21.55 H new ATOM 0 HB3 ALA A 60 13.346 -2.375 9.522 1.00 21.55 H new ATOM 956 N ASN A 61 14.578 -5.624 8.406 1.00 62.21 N ATOM 957 CA ASN A 61 15.621 -6.051 7.488 1.00 25.33 C ATOM 958 C ASN A 61 15.849 -7.557 7.634 1.00 24.31 C ATOM 959 O ASN A 61 15.171 -8.213 8.423 1.00 33.40 O ATOM 960 CB ASN A 61 16.916 -5.261 7.729 1.00 32.31 C ATOM 961 CG ASN A 61 17.597 -5.601 9.040 1.00 74.35 C ATOM 962 OD1 ASN A 61 18.607 -6.450 8.973 1.00 1.31 O flip ATOM 963 ND2 ASN A 61 17.250 -5.068 10.094 1.00 4.55 N flip ATOM 0 H ASN A 61 14.610 -6.087 9.314 1.00 62.21 H new ATOM 0 HA ASN A 61 15.303 -5.847 6.465 1.00 25.33 H new ATOM 0 HB2 ASN A 61 17.608 -5.454 6.909 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.690 -4.195 7.712 1.00 32.31 H new ATOM 0 HD21 ASN A 61 16.464 -4.418 10.102 1.00 4.55 H new ATOM 0 HD22 ASN A 61 17.748 -5.277 10.959 1.00 4.55 H new ATOM 970 N GLY A 62 16.797 -8.095 6.877 1.00 21.23 N ATOM 971 CA GLY A 62 16.973 -9.539 6.794 1.00 43.34 C ATOM 972 C GLY A 62 17.424 -10.202 8.088 1.00 30.15 C ATOM 973 O GLY A 62 17.101 -11.369 8.326 1.00 74.22 O ATOM 0 H GLY A 62 17.454 -7.555 6.313 1.00 21.23 H new ATOM 0 HA2 GLY A 62 16.031 -9.988 6.481 1.00 43.34 H new ATOM 0 HA3 GLY A 62 17.704 -9.758 6.016 1.00 43.34 H new ATOM 977 N SER A 63 18.166 -9.481 8.919 1.00 32.44 N ATOM 978 CA SER A 63 18.719 -10.066 10.135 1.00 55.04 C ATOM 979 C SER A 63 17.798 -9.841 11.332 1.00 64.31 C ATOM 980 O SER A 63 16.902 -8.996 11.299 1.00 34.44 O ATOM 981 CB SER A 63 20.112 -9.494 10.418 1.00 2.41 C ATOM 982 OG SER A 63 20.076 -8.084 10.573 1.00 62.04 O ATOM 0 H SER A 63 18.398 -8.498 8.776 1.00 32.44 H new ATOM 0 HA SER A 63 18.804 -11.141 9.978 1.00 55.04 H new ATOM 0 HB2 SER A 63 20.516 -9.950 11.322 1.00 2.41 H new ATOM 0 HB3 SER A 63 20.785 -9.754 9.601 1.00 2.41 H new ATOM 0 HG SER A 63 19.593 -7.684 9.820 1.00 62.04 H new ATOM 988 N TRP A 64 18.024 -10.610 12.389 1.00 43.33 N ATOM 989 CA TRP A 64 17.218 -10.509 13.594 1.00 43.33 C ATOM 990 C TRP A 64 17.871 -9.542 14.580 1.00 14.23 C ATOM 991 O TRP A 64 18.926 -8.979 14.287 1.00 63.32 O ATOM 992 CB TRP A 64 17.022 -11.896 14.218 1.00 65.43 C ATOM 993 CG TRP A 64 16.310 -12.854 13.303 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.828 -13.474 12.200 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.950 -13.300 13.407 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.873 -14.268 11.610 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.714 -14.181 12.334 1.00 3.21 C ATOM 998 CE3 TRP A 64 13.909 -13.040 14.302 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.481 -14.800 12.134 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.687 -13.655 14.104 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.482 -14.527 13.028 1.00 30.45 C ATOM 0 H TRP A 64 18.762 -11.312 12.434 1.00 43.33 H new ATOM 0 HA TRP A 64 16.234 -10.116 13.337 1.00 43.33 H new ATOM 0 HB2 TRP A 64 17.995 -12.310 14.484 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.455 -11.796 15.143 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.841 -13.357 11.844 1.00 40.32 H new ATOM 0 HE1 TRP A 64 16.006 -14.830 10.770 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.057 -12.369 15.135 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 13.320 -15.471 11.303 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 11.877 -13.460 14.791 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.516 -14.993 12.901 1.00 30.45 H new ATOM 1012 N THR A 65 17.241 -9.352 15.737 1.00 64.24 N ATOM 1013 CA THR A 65 17.684 -8.362 16.722 1.00 62.45 C ATOM 1014 C THR A 65 19.180 -8.447 17.046 1.00 71.12 C ATOM 1015 O THR A 65 19.950 -7.555 16.689 1.00 30.41 O ATOM 1016 CB THR A 65 16.875 -8.496 18.026 1.00 0.54 C ATOM 1017 OG1 THR A 65 16.665 -9.885 18.337 1.00 14.20 O ATOM 1018 CG2 THR A 65 15.537 -7.786 17.909 1.00 4.51 C ATOM 0 H THR A 65 16.413 -9.876 16.019 1.00 64.24 H new ATOM 0 HA THR A 65 17.508 -7.389 16.263 1.00 62.45 H new ATOM 0 HB THR A 65 17.445 -8.029 18.830 1.00 0.54 H new ATOM 0 HG1 THR A 65 16.151 -9.960 19.168 1.00 14.20 H new ATOM 0 HG21 THR A 65 14.984 -7.895 18.842 1.00 4.51 H new ATOM 0 HG22 THR A 65 15.703 -6.728 17.707 1.00 4.51 H new ATOM 0 HG23 THR A 65 14.962 -8.225 17.094 1.00 4.51 H new ATOM 1026 N ASP A 66 19.584 -9.506 17.726 1.00 71.12 N ATOM 1027 CA ASP A 66 20.979 -9.669 18.134 1.00 34.33 C ATOM 1028 C ASP A 66 21.446 -11.077 17.806 1.00 13.42 C ATOM 1029 O ASP A 66 22.038 -11.754 18.644 1.00 3.12 O ATOM 1030 CB ASP A 66 21.123 -9.416 19.647 1.00 63.41 C ATOM 1031 CG ASP A 66 22.567 -9.393 20.120 1.00 40.15 C ATOM 1032 OD1 ASP A 66 23.388 -8.673 19.516 1.00 25.14 O ATOM 1033 OD2 ASP A 66 22.885 -10.078 21.121 1.00 24.04 O1- ATOM 0 H ASP A 66 18.970 -10.269 18.010 1.00 71.12 H new ATOM 0 HA ASP A 66 21.592 -8.947 17.594 1.00 34.33 H new ATOM 0 HB2 ASP A 66 20.652 -8.465 19.895 1.00 63.41 H new ATOM 0 HB3 ASP A 66 20.583 -10.191 20.191 1.00 63.41 H new ATOM 1038 N MET A 67 21.194 -11.534 16.584 1.00 22.12 N ATOM 1039 CA MET A 67 21.433 -12.933 16.284 1.00 54.13 C ATOM 1040 C MET A 67 22.904 -13.208 15.999 1.00 53.22 C ATOM 1041 O MET A 67 23.353 -13.231 14.852 1.00 32.02 O ATOM 1042 CB MET A 67 20.575 -13.410 15.113 1.00 11.22 C ATOM 1043 CG MET A 67 20.819 -14.869 14.763 1.00 72.34 C ATOM 1044 SD MET A 67 19.798 -15.449 13.405 1.00 2.02 S ATOM 1045 CE MET A 67 20.509 -17.074 13.155 1.00 10.45 C ATOM 0 H MET A 67 20.836 -10.974 15.810 1.00 22.12 H new ATOM 0 HA MET A 67 21.148 -13.495 17.173 1.00 54.13 H new ATOM 0 HB2 MET A 67 19.522 -13.271 15.359 1.00 11.22 H new ATOM 0 HB3 MET A 67 20.783 -12.791 14.240 1.00 11.22 H new ATOM 0 HG2 MET A 67 21.869 -15.003 14.503 1.00 72.34 H new ATOM 0 HG3 MET A 67 20.627 -15.484 15.642 1.00 72.34 H new ATOM 0 HE1 MET A 67 20.640 -17.254 12.088 1.00 10.45 H new ATOM 0 HE2 MET A 67 21.477 -17.128 13.653 1.00 10.45 H new ATOM 0 HE3 MET A 67 19.844 -17.830 13.571 1.00 10.45 H new ATOM 1055 N ASP A 68 23.641 -13.358 17.079 1.00 24.31 N ATOM 1056 CA ASP A 68 24.912 -14.053 17.099 1.00 2.01 C ATOM 1057 C ASP A 68 25.256 -14.288 18.551 1.00 63.14 C ATOM 1058 O ASP A 68 25.905 -13.459 19.187 1.00 55.15 O ATOM 1059 CB ASP A 68 26.021 -13.266 16.400 1.00 13.54 C ATOM 1060 CG ASP A 68 27.307 -14.060 16.320 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.309 -13.643 16.935 1.00 34.44 O ATOM 1062 OD2 ASP A 68 27.315 -15.122 15.658 1.00 51.53 O1- ATOM 0 H ASP A 68 23.367 -12.991 17.990 1.00 24.31 H new ATOM 0 HA ASP A 68 24.827 -14.991 16.551 1.00 2.01 H new ATOM 0 HB2 ASP A 68 25.697 -12.996 15.395 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.201 -12.335 16.938 1.00 13.54 H new ATOM 1067 N THR A 69 24.782 -15.390 19.091 1.00 35.52 N ATOM 1068 CA THR A 69 24.840 -15.609 20.525 1.00 74.33 C ATOM 1069 C THR A 69 24.755 -17.096 20.829 1.00 61.54 C ATOM 1070 O THR A 69 23.731 -17.729 20.558 1.00 13.04 O ATOM 1071 CB THR A 69 23.665 -14.882 21.227 1.00 11.41 C ATOM 1072 OG1 THR A 69 23.376 -13.648 20.559 1.00 32.14 O ATOM 1073 CG2 THR A 69 23.976 -14.578 22.681 1.00 22.51 C ATOM 0 H THR A 69 24.352 -16.149 18.562 1.00 35.52 H new ATOM 0 HA THR A 69 25.785 -15.212 20.896 1.00 74.33 H new ATOM 0 HB THR A 69 22.806 -15.551 21.183 1.00 11.41 H new ATOM 0 HG1 THR A 69 22.877 -13.059 21.162 1.00 32.14 H new ATOM 0 HG21 THR A 69 23.127 -14.068 23.136 1.00 22.51 H new ATOM 0 HG22 THR A 69 24.169 -15.509 23.214 1.00 22.51 H new ATOM 0 HG23 THR A 69 24.856 -13.938 22.739 1.00 22.51 H new ATOM 1081 N PRO A 70 25.834 -17.679 21.358 1.00 34.41 N ATOM 1082 CA PRO A 70 25.870 -19.095 21.710 1.00 42.43 C ATOM 1083 C PRO A 70 24.926 -19.426 22.864 1.00 23.34 C ATOM 1084 O PRO A 70 25.247 -19.196 24.032 1.00 64.14 O ATOM 1085 CB PRO A 70 27.330 -19.347 22.118 1.00 61.51 C ATOM 1086 CG PRO A 70 28.089 -18.152 21.645 1.00 11.35 C ATOM 1087 CD PRO A 70 27.111 -17.012 21.645 1.00 41.03 C ATOM 0 HA PRO A 70 25.543 -19.722 20.880 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.420 -19.467 23.198 1.00 61.51 H new ATOM 0 HB3 PRO A 70 27.713 -20.260 21.662 1.00 61.51 H new ATOM 0 HG2 PRO A 70 28.933 -17.941 22.301 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.495 -18.318 20.647 1.00 11.35 H new ATOM 0 HD2 PRO A 70 27.091 -16.496 22.605 1.00 41.03 H new ATOM 0 HD3 PRO A 70 27.358 -16.267 20.888 1.00 41.03 H new ATOM 1095 N SER A 71 23.745 -19.916 22.525 1.00 21.45 N ATOM 1096 CA SER A 71 22.813 -20.407 23.519 1.00 53.41 C ATOM 1097 C SER A 71 23.239 -21.802 23.960 1.00 14.12 C ATOM 1098 O SER A 71 23.017 -22.782 23.251 1.00 73.30 O ATOM 1099 CB SER A 71 21.397 -20.415 22.941 1.00 41.55 C ATOM 1100 OG SER A 71 21.399 -20.915 21.612 1.00 70.34 O ATOM 0 H SER A 71 23.411 -19.983 21.564 1.00 21.45 H new ATOM 0 HA SER A 71 22.816 -19.753 24.391 1.00 53.41 H new ATOM 0 HB2 SER A 71 20.748 -21.030 23.565 1.00 41.55 H new ATOM 0 HB3 SER A 71 20.988 -19.405 22.954 1.00 41.55 H new ATOM 0 HG SER A 71 21.929 -21.738 21.573 1.00 70.34 H new ATOM 1106 N ARG A 72 23.869 -21.879 25.122 1.00 45.03 N ATOM 1107 CA ARG A 72 24.486 -23.116 25.571 1.00 4.44 C ATOM 1108 C ARG A 72 23.444 -24.076 26.134 1.00 75.30 C ATOM 1109 O ARG A 72 22.644 -23.717 27.008 1.00 23.40 O ATOM 1110 CB ARG A 72 25.583 -22.816 26.602 1.00 34.44 C ATOM 1111 CG ARG A 72 25.076 -22.208 27.901 1.00 12.31 C ATOM 1112 CD ARG A 72 26.187 -21.494 28.653 1.00 24.33 C ATOM 1113 NE ARG A 72 27.414 -22.287 28.724 1.00 52.22 N ATOM 1114 CZ ARG A 72 28.622 -21.769 28.934 1.00 64.42 C ATOM 1115 NH1 ARG A 72 28.760 -20.468 29.162 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 29.691 -22.556 28.916 1.00 31.31 N ATOM 0 H ARG A 72 23.966 -21.098 25.771 1.00 45.03 H new ATOM 0 HA ARG A 72 24.947 -23.605 24.713 1.00 4.44 H new ATOM 0 HB2 ARG A 72 26.113 -23.741 26.830 1.00 34.44 H new ATOM 0 HB3 ARG A 72 26.308 -22.136 26.155 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.271 -21.505 27.685 1.00 12.31 H new ATOM 0 HG3 ARG A 72 24.654 -22.992 28.531 1.00 12.31 H new ATOM 0 HD2 ARG A 72 26.400 -20.544 28.164 1.00 24.33 H new ATOM 0 HD3 ARG A 72 25.848 -21.264 29.663 1.00 24.33 H new ATOM 0 HE ARG A 72 27.339 -23.297 28.606 1.00 52.22 H new ATOM 0 HH11 ARG A 72 27.939 -19.863 29.177 1.00 45.44 H new ATOM 0 HH12 ARG A 72 29.687 -20.074 29.323 1.00 45.44 H new ATOM 0 HH21 ARG A 72 29.586 -23.555 28.741 1.00 31.31 H new ATOM 0 HH22 ARG A 72 30.618 -22.161 29.077 1.00 31.31 H new ATOM 1130 N CYS A 73 23.443 -25.289 25.606 1.00 4.41 N ATOM 1131 CA CYS A 73 22.510 -26.311 26.035 1.00 74.22 C ATOM 1132 C CYS A 73 23.021 -26.978 27.303 1.00 15.32 C ATOM 1133 O CYS A 73 23.892 -27.850 27.255 1.00 21.44 O ATOM 1134 CB CYS A 73 22.304 -27.346 24.922 1.00 72.10 C ATOM 1135 SG CYS A 73 21.068 -28.635 25.305 1.00 53.24 S ATOM 0 H CYS A 73 24.085 -25.589 24.873 1.00 4.41 H new ATOM 0 HA CYS A 73 21.547 -25.847 26.249 1.00 74.22 H new ATOM 0 HB2 CYS A 73 22.000 -26.827 24.013 1.00 72.10 H new ATOM 0 HB3 CYS A 73 23.259 -27.828 24.710 1.00 72.10 H new ATOM 1140 N VAL A 74 22.493 -26.539 28.435 1.00 70.53 N ATOM 1141 CA VAL A 74 22.882 -27.061 29.733 1.00 64.52 C ATOM 1142 C VAL A 74 22.034 -26.396 30.809 1.00 43.42 C ATOM 1143 O VAL A 74 21.547 -25.280 30.618 1.00 34.31 O ATOM 1144 CB VAL A 74 24.388 -26.827 30.024 1.00 54.13 C ATOM 1145 CG1 VAL A 74 24.702 -25.343 30.157 1.00 11.41 C ATOM 1146 CG2 VAL A 74 24.832 -27.592 31.266 1.00 43.31 C ATOM 0 H VAL A 74 21.782 -25.809 28.478 1.00 70.53 H new ATOM 0 HA VAL A 74 22.716 -28.138 29.733 1.00 64.52 H new ATOM 0 HB VAL A 74 24.951 -27.211 29.173 1.00 54.13 H new ATOM 0 HG11 VAL A 74 25.765 -25.213 30.361 1.00 11.41 H new ATOM 0 HG12 VAL A 74 24.445 -24.832 29.229 1.00 11.41 H new ATOM 0 HG13 VAL A 74 24.121 -24.920 30.977 1.00 11.41 H new ATOM 0 HG21 VAL A 74 25.891 -27.410 31.446 1.00 43.31 H new ATOM 0 HG22 VAL A 74 24.254 -27.255 32.127 1.00 43.31 H new ATOM 0 HG23 VAL A 74 24.668 -28.659 31.114 1.00 43.31 H new ATOM 1156 N ARG A 75 21.830 -27.091 31.914 1.00 64.45 N ATOM 1157 CA ARG A 75 21.043 -26.560 33.017 1.00 54.13 C ATOM 1158 C ARG A 75 21.434 -27.241 34.324 1.00 45.21 C ATOM 1159 O ARG A 75 20.701 -28.136 34.785 1.00 37.22 O ATOM 1160 CB ARG A 75 19.544 -26.735 32.737 1.00 55.34 C ATOM 1161 CG ARG A 75 19.176 -28.111 32.206 1.00 43.51 C ATOM 1162 CD ARG A 75 17.673 -28.308 32.156 1.00 51.22 C ATOM 1163 NE ARG A 75 17.060 -28.147 33.471 1.00 74.41 N ATOM 1164 CZ ARG A 75 16.740 -29.158 34.276 1.00 23.14 C ATOM 1165 NH1 ARG A 75 17.008 -30.409 33.925 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 16.162 -28.912 35.442 1.00 4.05 N ATOM 1167 OXT ARG A 75 22.495 -26.890 34.876 1.00 37.22 O ATOM 0 H ARG A 75 22.199 -28.028 32.073 1.00 64.45 H new ATOM 0 HA ARG A 75 21.250 -25.494 33.113 1.00 54.13 H new ATOM 0 HB2 ARG A 75 18.988 -26.550 33.656 1.00 55.34 H new ATOM 0 HB3 ARG A 75 19.228 -25.981 32.016 1.00 55.34 H new ATOM 0 HG2 ARG A 75 19.594 -28.240 31.207 1.00 43.51 H new ATOM 0 HG3 ARG A 75 19.623 -28.877 32.839 1.00 43.51 H new ATOM 0 HD2 ARG A 75 17.236 -27.591 31.461 1.00 51.22 H new ATOM 0 HD3 ARG A 75 17.450 -29.303 31.770 1.00 51.22 H new ATOM 0 HE ARG A 75 16.864 -27.199 33.794 1.00 74.41 H new ATOM 0 HH11 ARG A 75 17.463 -30.602 33.033 1.00 33.54 H new ATOM 0 HH12 ARG A 75 16.760 -31.178 34.548 1.00 33.54 H new ATOM 0 HH21 ARG A 75 15.964 -27.951 35.720 1.00 4.05 H new ATOM 0 HH22 ARG A 75 15.915 -29.684 36.062 1.00 4.05 H new