USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 753 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 19 SER OG : rot 180:sc= 0.124 USER MOD Set 1.2: A 93 SER OG : rot -100:sc= 0.225 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.132 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00447 X(o=-0.0045,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.051 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0342 USER MOD Single : A 9 TYR OH : rot 170:sc= 0.944 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 21 THR OG1 : rot -11:sc= 0.211 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 17:sc= 1.17 USER MOD Single : A 28 SER OG : rot 180:sc=0.000414 USER MOD Single : A 31 SER OG : rot 41:sc= 0.299 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 52:sc= 0.0192 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 58:sc= 1.24 USER MOD Single : A 44 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0559 USER MOD Single : A 52 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.51) USER MOD Single : A 54 SER OG : rot 25:sc= 1.27 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 60 HIS : no HD1:sc=-0.000216 X(o=-0.00022,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0865 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0397 USER MOD Single : A 71 ASN : amide:sc= -1.94 K(o=-1.9,f=-11!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.902 K(o=0.9,f=-4.4) USER MOD Single : A 88 SER OG : rot 180:sc= 0.229 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0.905 K(o=0.91,f=0.4) USER MOD Single : A 101 LYS NZ :NH3+ -170:sc= 1.5 (180deg=1.26) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.179 -8.944 -1.277 1.00 0.00 N ATOM 2 CA GLY A 1 -28.372 -8.102 -1.527 1.00 0.00 C ATOM 3 C GLY A 1 -27.986 -6.862 -2.328 1.00 0.00 C ATOM 4 O GLY A 1 -26.898 -6.849 -2.883 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.357 -9.909 -1.622 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.360 -8.543 -1.777 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.982 -8.972 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.123 -8.675 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.822 -7.806 -0.579 1.00 0.00 H new ATOM 8 N HIS A 2 -28.841 -5.829 -2.415 1.00 0.00 N ATOM 9 CA HIS A 2 -28.514 -4.525 -3.019 1.00 0.00 C ATOM 10 C HIS A 2 -27.747 -4.669 -4.343 1.00 0.00 C ATOM 11 O HIS A 2 -26.531 -4.465 -4.385 1.00 0.00 O ATOM 12 CB HIS A 2 -27.754 -3.638 -2.016 1.00 0.00 C ATOM 13 CG HIS A 2 -28.573 -3.116 -0.865 1.00 0.00 C ATOM 14 ND1 HIS A 2 -28.203 -3.138 0.462 1.00 0.00 N ATOM 15 CD2 HIS A 2 -29.727 -2.383 -0.965 1.00 0.00 C ATOM 16 CE1 HIS A 2 -29.117 -2.425 1.140 1.00 0.00 C ATOM 17 NE2 HIS A 2 -30.055 -1.933 0.316 1.00 0.00 N ATOM 0 H HIS A 2 -29.796 -5.877 -2.061 1.00 0.00 H new ATOM 0 HA HIS A 2 -29.456 -4.033 -3.263 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -26.916 -4.208 -1.615 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -27.333 -2.789 -2.554 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -30.282 -2.189 -1.871 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -29.099 -2.268 2.208 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -30.849 -1.347 0.574 1.00 0.00 H new ATOM 25 N MET A 3 -28.426 -5.073 -5.414 1.00 0.00 N ATOM 26 CA MET A 3 -27.816 -5.366 -6.711 1.00 0.00 C ATOM 27 C MET A 3 -28.776 -4.926 -7.815 1.00 0.00 C ATOM 28 O MET A 3 -29.917 -4.564 -7.521 1.00 0.00 O ATOM 29 CB MET A 3 -27.467 -6.862 -6.784 1.00 0.00 C ATOM 30 CG MET A 3 -28.701 -7.776 -6.799 1.00 0.00 C ATOM 31 SD MET A 3 -28.328 -9.508 -6.425 1.00 0.00 S ATOM 32 CE MET A 3 -29.873 -10.277 -6.991 1.00 0.00 C ATOM 0 H MET A 3 -29.437 -5.209 -5.405 1.00 0.00 H new ATOM 0 HA MET A 3 -26.885 -4.815 -6.844 1.00 0.00 H new ATOM 0 HB2 MET A 3 -26.877 -7.046 -7.681 1.00 0.00 H new ATOM 0 HB3 MET A 3 -26.841 -7.123 -5.931 1.00 0.00 H new ATOM 0 HG2 MET A 3 -29.426 -7.405 -6.074 1.00 0.00 H new ATOM 0 HG3 MET A 3 -29.173 -7.719 -7.780 1.00 0.00 H new ATOM 0 HE1 MET A 3 -29.821 -11.355 -6.836 1.00 0.00 H new ATOM 0 HE2 MET A 3 -30.711 -9.869 -6.426 1.00 0.00 H new ATOM 0 HE3 MET A 3 -30.015 -10.070 -8.052 1.00 0.00 H new ATOM 42 N GLY A 4 -28.322 -4.934 -9.068 1.00 0.00 N ATOM 43 CA GLY A 4 -29.063 -4.443 -10.225 1.00 0.00 C ATOM 44 C GLY A 4 -28.873 -2.937 -10.357 1.00 0.00 C ATOM 45 O GLY A 4 -28.644 -2.424 -11.447 1.00 0.00 O ATOM 0 H GLY A 4 -27.399 -5.294 -9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.717 -4.943 -11.129 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.122 -4.677 -10.117 1.00 0.00 H new ATOM 49 N SER A 5 -28.921 -2.233 -9.229 1.00 0.00 N ATOM 50 CA SER A 5 -28.591 -0.829 -9.114 1.00 0.00 C ATOM 51 C SER A 5 -27.126 -0.549 -9.504 1.00 0.00 C ATOM 52 O SER A 5 -26.269 -1.427 -9.336 1.00 0.00 O ATOM 53 CB SER A 5 -28.899 -0.420 -7.667 1.00 0.00 C ATOM 54 OG SER A 5 -28.488 -1.389 -6.706 1.00 0.00 O ATOM 0 H SER A 5 -29.202 -2.647 -8.341 1.00 0.00 H new ATOM 0 HA SER A 5 -29.185 -0.235 -9.809 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.404 0.527 -7.452 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.971 -0.250 -7.565 1.00 0.00 H new ATOM 0 HG SER A 5 -28.709 -1.071 -5.806 1.00 0.00 H new ATOM 60 N PRO A 6 -26.805 0.689 -9.930 1.00 0.00 N ATOM 61 CA PRO A 6 -25.441 1.082 -10.255 1.00 0.00 C ATOM 62 C PRO A 6 -24.546 1.062 -9.016 1.00 0.00 C ATOM 63 O PRO A 6 -25.012 1.103 -7.872 1.00 0.00 O ATOM 64 CB PRO A 6 -25.539 2.492 -10.854 1.00 0.00 C ATOM 65 CG PRO A 6 -26.840 3.042 -10.277 1.00 0.00 C ATOM 66 CD PRO A 6 -27.718 1.797 -10.175 1.00 0.00 C ATOM 0 HA PRO A 6 -24.986 0.386 -10.960 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -24.684 3.107 -10.572 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -25.565 2.463 -11.943 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -26.686 3.509 -9.304 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -27.283 3.797 -10.926 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -28.442 1.894 -9.366 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -28.285 1.641 -11.093 1.00 0.00 H new ATOM 74 N VAL A 7 -23.240 1.051 -9.250 1.00 0.00 N ATOM 75 CA VAL A 7 -22.190 1.162 -8.256 1.00 0.00 C ATOM 76 C VAL A 7 -21.219 2.207 -8.812 1.00 0.00 C ATOM 77 O VAL A 7 -21.214 2.480 -10.014 1.00 0.00 O ATOM 78 CB VAL A 7 -21.564 -0.233 -8.030 1.00 0.00 C ATOM 79 CG1 VAL A 7 -20.455 -0.195 -6.976 1.00 0.00 C ATOM 80 CG2 VAL A 7 -22.608 -1.258 -7.557 1.00 0.00 C ATOM 0 H VAL A 7 -22.868 0.959 -10.195 1.00 0.00 H new ATOM 0 HA VAL A 7 -22.533 1.485 -7.273 1.00 0.00 H new ATOM 0 HB VAL A 7 -21.156 -0.529 -8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -20.041 -1.195 -6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -19.667 0.484 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -20.866 0.153 -6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -22.128 -2.225 -7.410 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -23.046 -0.924 -6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -23.391 -1.353 -8.309 1.00 0.00 H new ATOM 90 N SER A 8 -20.427 2.840 -7.950 1.00 0.00 N ATOM 91 CA SER A 8 -19.405 3.786 -8.372 1.00 0.00 C ATOM 92 C SER A 8 -18.257 3.686 -7.372 1.00 0.00 C ATOM 93 O SER A 8 -18.403 4.133 -6.232 1.00 0.00 O ATOM 94 CB SER A 8 -19.991 5.207 -8.453 1.00 0.00 C ATOM 95 OG SER A 8 -21.284 5.232 -9.044 1.00 0.00 O ATOM 0 H SER A 8 -20.478 2.709 -6.940 1.00 0.00 H new ATOM 0 HA SER A 8 -19.035 3.554 -9.371 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.045 5.631 -7.450 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.319 5.841 -9.031 1.00 0.00 H new ATOM 0 HG SER A 8 -21.613 6.155 -9.071 1.00 0.00 H new ATOM 101 N TYR A 9 -17.155 3.031 -7.738 1.00 0.00 N ATOM 102 CA TYR A 9 -15.960 3.033 -6.894 1.00 0.00 C ATOM 103 C TYR A 9 -15.234 4.372 -7.049 1.00 0.00 C ATOM 104 O TYR A 9 -15.348 5.050 -8.076 1.00 0.00 O ATOM 105 CB TYR A 9 -15.041 1.839 -7.200 1.00 0.00 C ATOM 106 CG TYR A 9 -15.434 0.526 -6.535 1.00 0.00 C ATOM 107 CD1 TYR A 9 -16.706 -0.027 -6.755 1.00 0.00 C ATOM 108 CD2 TYR A 9 -14.536 -0.155 -5.689 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.060 -1.257 -6.184 1.00 0.00 C ATOM 110 CE2 TYR A 9 -14.895 -1.374 -5.081 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.169 -1.932 -5.330 1.00 0.00 C ATOM 112 OH TYR A 9 -16.599 -3.078 -4.742 1.00 0.00 O ATOM 0 H TYR A 9 -17.065 2.498 -8.603 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.263 2.918 -5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.017 1.687 -8.279 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.027 2.094 -6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -17.419 0.501 -7.371 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.558 0.264 -5.504 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.025 -1.690 -6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.200 -1.880 -4.428 1.00 0.00 H new ATOM 0 HH TYR A 9 -15.844 -3.524 -4.304 1.00 0.00 H new ATOM 122 N TYR A 10 -14.478 4.718 -6.013 1.00 0.00 N ATOM 123 CA TYR A 10 -13.632 5.886 -5.873 1.00 0.00 C ATOM 124 C TYR A 10 -12.338 5.404 -5.235 1.00 0.00 C ATOM 125 O TYR A 10 -12.353 4.987 -4.069 1.00 0.00 O ATOM 126 CB TYR A 10 -14.277 6.919 -4.949 1.00 0.00 C ATOM 127 CG TYR A 10 -15.565 7.518 -5.447 1.00 0.00 C ATOM 128 CD1 TYR A 10 -16.777 6.824 -5.280 1.00 0.00 C ATOM 129 CD2 TYR A 10 -15.553 8.791 -6.039 1.00 0.00 C ATOM 130 CE1 TYR A 10 -17.983 7.401 -5.695 1.00 0.00 C ATOM 131 CE2 TYR A 10 -16.758 9.388 -6.431 1.00 0.00 C ATOM 132 CZ TYR A 10 -17.979 8.705 -6.236 1.00 0.00 C ATOM 133 OH TYR A 10 -19.154 9.310 -6.562 1.00 0.00 O ATOM 0 H TYR A 10 -14.442 4.133 -5.178 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.470 6.354 -6.844 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.464 6.450 -3.983 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.563 7.725 -4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.777 5.842 -4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.617 9.308 -6.192 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.909 6.853 -5.602 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.754 10.369 -6.882 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.973 10.204 -6.920 1.00 0.00 H new ATOM 143 N PHE A 11 -11.246 5.377 -5.989 1.00 0.00 N ATOM 144 CA PHE A 11 -9.918 5.170 -5.443 1.00 0.00 C ATOM 145 C PHE A 11 -9.024 6.241 -6.070 1.00 0.00 C ATOM 146 O PHE A 11 -8.588 6.081 -7.216 1.00 0.00 O ATOM 147 CB PHE A 11 -9.439 3.723 -5.661 1.00 0.00 C ATOM 148 CG PHE A 11 -8.379 3.299 -4.661 1.00 0.00 C ATOM 149 CD1 PHE A 11 -8.643 3.247 -3.279 1.00 0.00 C ATOM 150 CD2 PHE A 11 -7.093 2.993 -5.113 1.00 0.00 C ATOM 151 CE1 PHE A 11 -7.652 2.814 -2.381 1.00 0.00 C ATOM 152 CE2 PHE A 11 -6.084 2.583 -4.225 1.00 0.00 C ATOM 153 CZ PHE A 11 -6.372 2.474 -2.855 1.00 0.00 C ATOM 0 H PHE A 11 -11.261 5.499 -7.002 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.895 5.283 -4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.292 3.048 -5.588 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.040 3.625 -6.671 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.613 3.542 -2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.870 3.073 -6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.874 2.742 -1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.095 2.354 -4.593 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.613 2.130 -2.168 1.00 0.00 H new ATOM 163 N SER A 12 -8.876 7.377 -5.389 1.00 0.00 N ATOM 164 CA SER A 12 -8.131 8.534 -5.871 1.00 0.00 C ATOM 165 C SER A 12 -7.842 9.496 -4.714 1.00 0.00 C ATOM 166 O SER A 12 -8.535 9.480 -3.694 1.00 0.00 O ATOM 167 CB SER A 12 -8.919 9.230 -7.000 1.00 0.00 C ATOM 168 OG SER A 12 -10.319 9.271 -6.758 1.00 0.00 O ATOM 0 H SER A 12 -9.282 7.519 -4.464 1.00 0.00 H new ATOM 0 HA SER A 12 -7.174 8.206 -6.277 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.547 10.247 -7.121 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.734 8.709 -7.939 1.00 0.00 H new ATOM 0 HG SER A 12 -10.767 9.724 -7.503 1.00 0.00 H new ATOM 174 N TYR A 13 -6.865 10.392 -4.880 1.00 0.00 N ATOM 175 CA TYR A 13 -6.750 11.556 -4.007 1.00 0.00 C ATOM 176 C TYR A 13 -7.956 12.474 -4.239 1.00 0.00 C ATOM 177 O TYR A 13 -8.690 12.315 -5.218 1.00 0.00 O ATOM 178 CB TYR A 13 -5.435 12.299 -4.270 1.00 0.00 C ATOM 179 CG TYR A 13 -4.189 11.569 -3.806 1.00 0.00 C ATOM 180 CD1 TYR A 13 -3.746 11.730 -2.481 1.00 0.00 C ATOM 181 CD2 TYR A 13 -3.434 10.788 -4.702 1.00 0.00 C ATOM 182 CE1 TYR A 13 -2.555 11.125 -2.050 1.00 0.00 C ATOM 183 CE2 TYR A 13 -2.227 10.194 -4.287 1.00 0.00 C ATOM 184 CZ TYR A 13 -1.793 10.349 -2.950 1.00 0.00 C ATOM 185 OH TYR A 13 -0.629 9.781 -2.537 1.00 0.00 O ATOM 0 H TYR A 13 -6.150 10.332 -5.605 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.741 11.233 -2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.350 12.491 -5.340 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.477 13.269 -3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.326 12.323 -1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.783 10.644 -5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.222 11.253 -1.031 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.635 9.622 -4.987 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.229 9.280 -3.278 1.00 0.00 H new ATOM 195 N ALA A 14 -8.150 13.453 -3.359 1.00 0.00 N ATOM 196 CA ALA A 14 -9.270 14.389 -3.405 1.00 0.00 C ATOM 197 C ALA A 14 -8.804 15.825 -3.666 1.00 0.00 C ATOM 198 O ALA A 14 -9.631 16.728 -3.759 1.00 0.00 O ATOM 199 CB ALA A 14 -10.063 14.272 -2.102 1.00 0.00 C ATOM 0 H ALA A 14 -7.518 13.621 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.919 14.131 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.903 14.966 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.437 13.254 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.415 14.512 -1.259 1.00 0.00 H new ATOM 205 N ASP A 15 -7.496 16.042 -3.797 1.00 0.00 N ATOM 206 CA ASP A 15 -6.882 17.353 -3.972 1.00 0.00 C ATOM 207 C ASP A 15 -5.667 17.169 -4.882 1.00 0.00 C ATOM 208 O ASP A 15 -4.535 17.480 -4.508 1.00 0.00 O ATOM 209 CB ASP A 15 -6.524 17.925 -2.596 1.00 0.00 C ATOM 210 CG ASP A 15 -6.257 19.426 -2.626 1.00 0.00 C ATOM 211 OD1 ASP A 15 -7.228 20.198 -2.479 1.00 0.00 O ATOM 212 OD2 ASP A 15 -5.074 19.845 -2.623 1.00 0.00 O ATOM 0 H ASP A 15 -6.814 15.284 -3.783 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.556 18.070 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.338 17.720 -1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.641 17.412 -2.214 1.00 0.00 H new ATOM 217 N GLY A 16 -5.865 16.516 -6.030 1.00 0.00 N ATOM 218 CA GLY A 16 -4.807 16.250 -6.996 1.00 0.00 C ATOM 219 C GLY A 16 -5.254 15.226 -8.031 1.00 0.00 C ATOM 220 O GLY A 16 -5.943 15.589 -8.992 1.00 0.00 O ATOM 0 H GLY A 16 -6.776 16.155 -6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.525 17.177 -7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.921 15.885 -6.478 1.00 0.00 H new ATOM 224 N GLY A 17 -4.897 13.951 -7.849 1.00 0.00 N ATOM 225 CA GLY A 17 -5.127 12.928 -8.868 1.00 0.00 C ATOM 226 C GLY A 17 -4.943 11.517 -8.325 1.00 0.00 C ATOM 227 O GLY A 17 -5.747 11.068 -7.506 1.00 0.00 O ATOM 0 H GLY A 17 -4.446 13.604 -7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.137 13.033 -9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.441 13.087 -9.700 1.00 0.00 H new ATOM 231 N THR A 18 -3.909 10.808 -8.778 1.00 0.00 N ATOM 232 CA THR A 18 -3.616 9.431 -8.366 1.00 0.00 C ATOM 233 C THR A 18 -2.117 9.201 -8.133 1.00 0.00 C ATOM 234 O THR A 18 -1.684 8.051 -8.070 1.00 0.00 O ATOM 235 CB THR A 18 -4.245 8.392 -9.326 1.00 0.00 C ATOM 236 OG1 THR A 18 -3.875 8.577 -10.679 1.00 0.00 O ATOM 237 CG2 THR A 18 -5.777 8.422 -9.273 1.00 0.00 C ATOM 0 H THR A 18 -3.239 11.178 -9.452 1.00 0.00 H new ATOM 0 HA THR A 18 -4.095 9.279 -7.399 1.00 0.00 H new ATOM 0 HB THR A 18 -3.859 7.435 -8.975 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.303 7.890 -11.232 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.179 7.678 -9.961 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.110 8.197 -8.260 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.132 9.412 -9.561 1.00 0.00 H new ATOM 245 N SER A 19 -1.305 10.253 -7.994 1.00 0.00 N ATOM 246 CA SER A 19 0.085 10.084 -7.602 1.00 0.00 C ATOM 247 C SER A 19 0.571 11.347 -6.886 1.00 0.00 C ATOM 248 O SER A 19 0.260 12.459 -7.324 1.00 0.00 O ATOM 249 CB SER A 19 0.912 9.853 -8.864 1.00 0.00 C ATOM 250 OG SER A 19 2.247 9.465 -8.618 1.00 0.00 O ATOM 0 H SER A 19 -1.589 11.221 -8.147 1.00 0.00 H new ATOM 0 HA SER A 19 0.189 9.235 -6.926 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.427 9.085 -9.467 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.915 10.768 -9.456 1.00 0.00 H new ATOM 0 HG SER A 19 2.712 9.334 -9.471 1.00 0.00 H new ATOM 256 N HIS A 20 1.375 11.181 -5.836 1.00 0.00 N ATOM 257 CA HIS A 20 2.016 12.283 -5.111 1.00 0.00 C ATOM 258 C HIS A 20 3.494 12.363 -5.488 1.00 0.00 C ATOM 259 O HIS A 20 4.110 11.361 -5.869 1.00 0.00 O ATOM 260 CB HIS A 20 1.877 12.090 -3.588 1.00 0.00 C ATOM 261 CG HIS A 20 1.155 13.212 -2.878 1.00 0.00 C ATOM 262 ND1 HIS A 20 -0.080 13.727 -3.209 1.00 0.00 N ATOM 263 CD2 HIS A 20 1.572 13.844 -1.735 1.00 0.00 C ATOM 264 CE1 HIS A 20 -0.408 14.637 -2.277 1.00 0.00 C ATOM 265 NE2 HIS A 20 0.556 14.722 -1.341 1.00 0.00 N ATOM 0 H HIS A 20 1.604 10.262 -5.457 1.00 0.00 H new ATOM 0 HA HIS A 20 1.519 13.212 -5.389 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.346 11.157 -3.400 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.872 11.984 -3.156 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.514 13.692 -1.230 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.318 15.219 -2.278 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.547 15.311 -0.508 1.00 0.00 H new ATOM 273 N THR A 21 4.097 13.535 -5.310 1.00 0.00 N ATOM 274 CA THR A 21 5.526 13.697 -5.098 1.00 0.00 C ATOM 275 C THR A 21 5.719 14.950 -4.252 1.00 0.00 C ATOM 276 O THR A 21 5.605 16.050 -4.792 1.00 0.00 O ATOM 277 CB THR A 21 6.317 13.804 -6.412 1.00 0.00 C ATOM 278 OG1 THR A 21 5.934 12.833 -7.369 1.00 0.00 O ATOM 279 CG2 THR A 21 7.812 13.602 -6.137 1.00 0.00 C ATOM 0 H THR A 21 3.589 14.419 -5.310 1.00 0.00 H new ATOM 0 HA THR A 21 5.914 12.812 -4.593 1.00 0.00 H new ATOM 0 HB THR A 21 6.105 14.795 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.351 12.169 -6.946 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.368 13.679 -7.072 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.161 14.367 -5.443 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.972 12.616 -5.700 1.00 0.00 H new ATOM 287 N GLU A 22 5.975 14.816 -2.947 1.00 0.00 N ATOM 288 CA GLU A 22 6.477 15.976 -2.202 1.00 0.00 C ATOM 289 C GLU A 22 8.008 16.003 -2.269 1.00 0.00 C ATOM 290 O GLU A 22 8.665 14.969 -2.466 1.00 0.00 O ATOM 291 CB GLU A 22 5.912 16.022 -0.773 1.00 0.00 C ATOM 292 CG GLU A 22 6.194 17.383 -0.087 1.00 0.00 C ATOM 293 CD GLU A 22 5.226 17.766 1.039 1.00 0.00 C ATOM 294 OE1 GLU A 22 4.267 17.006 1.314 1.00 0.00 O ATOM 295 OE2 GLU A 22 5.404 18.863 1.628 1.00 0.00 O ATOM 0 H GLU A 22 5.851 13.961 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 22 6.120 16.894 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.837 15.845 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.352 15.219 -0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.206 17.364 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.169 18.165 -0.846 1.00 0.00 H new ATOM 302 N TYR A 23 8.562 17.203 -2.100 1.00 0.00 N ATOM 303 CA TYR A 23 9.973 17.527 -2.227 1.00 0.00 C ATOM 304 C TYR A 23 10.422 18.285 -0.967 1.00 0.00 C ATOM 305 O TYR A 23 10.674 19.486 -1.043 1.00 0.00 O ATOM 306 CB TYR A 23 10.172 18.354 -3.509 1.00 0.00 C ATOM 307 CG TYR A 23 9.793 17.650 -4.799 1.00 0.00 C ATOM 308 CD1 TYR A 23 8.472 17.712 -5.283 1.00 0.00 C ATOM 309 CD2 TYR A 23 10.772 16.950 -5.525 1.00 0.00 C ATOM 310 CE1 TYR A 23 8.138 17.109 -6.507 1.00 0.00 C ATOM 311 CE2 TYR A 23 10.447 16.338 -6.749 1.00 0.00 C ATOM 312 CZ TYR A 23 9.129 16.430 -7.250 1.00 0.00 C ATOM 313 OH TYR A 23 8.818 15.873 -8.452 1.00 0.00 O ATOM 0 H TYR A 23 8.001 18.019 -1.857 1.00 0.00 H new ATOM 0 HA TYR A 23 10.584 16.628 -2.309 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.584 19.268 -3.427 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.219 18.652 -3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.713 18.225 -4.711 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.779 16.882 -5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.126 17.164 -6.879 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.202 15.800 -7.304 1.00 0.00 H new ATOM 0 HH TYR A 23 9.615 15.446 -8.831 1.00 0.00 H new ATOM 323 N PRO A 24 10.488 17.622 0.202 1.00 0.00 N ATOM 324 CA PRO A 24 10.913 18.265 1.442 1.00 0.00 C ATOM 325 C PRO A 24 12.405 18.618 1.399 1.00 0.00 C ATOM 326 O PRO A 24 13.128 18.197 0.486 1.00 0.00 O ATOM 327 CB PRO A 24 10.577 17.261 2.542 1.00 0.00 C ATOM 328 CG PRO A 24 10.622 15.908 1.850 1.00 0.00 C ATOM 329 CD PRO A 24 10.195 16.213 0.420 1.00 0.00 C ATOM 0 HA PRO A 24 10.408 19.215 1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.296 17.313 3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.593 17.455 2.970 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.622 15.475 1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.949 15.194 2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.737 15.588 -0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.134 16.009 0.279 1.00 0.00 H new ATOM 337 N ASP A 25 12.891 19.377 2.385 1.00 0.00 N ATOM 338 CA ASP A 25 14.272 19.850 2.431 1.00 0.00 C ATOM 339 C ASP A 25 14.709 20.084 3.874 1.00 0.00 C ATOM 340 O ASP A 25 13.890 20.233 4.778 1.00 0.00 O ATOM 341 CB ASP A 25 14.484 21.089 1.536 1.00 0.00 C ATOM 342 CG ASP A 25 14.457 22.452 2.240 1.00 0.00 C ATOM 343 OD1 ASP A 25 13.399 22.915 2.710 1.00 0.00 O ATOM 344 OD2 ASP A 25 15.481 23.178 2.161 1.00 0.00 O ATOM 0 H ASP A 25 12.329 19.682 3.180 1.00 0.00 H new ATOM 0 HA ASP A 25 14.914 19.071 2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 25 15.444 20.985 1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.715 21.088 0.764 1.00 0.00 H new ATOM 349 N ASP A 26 16.023 20.078 4.082 1.00 0.00 N ATOM 350 CA ASP A 26 16.710 20.109 5.372 1.00 0.00 C ATOM 351 C ASP A 26 16.416 18.891 6.255 1.00 0.00 C ATOM 352 O ASP A 26 17.292 18.041 6.427 1.00 0.00 O ATOM 353 CB ASP A 26 16.510 21.434 6.121 1.00 0.00 C ATOM 354 CG ASP A 26 17.433 21.453 7.331 1.00 0.00 C ATOM 355 OD1 ASP A 26 18.670 21.516 7.114 1.00 0.00 O ATOM 356 OD2 ASP A 26 16.956 21.391 8.480 1.00 0.00 O ATOM 0 H ASP A 26 16.680 20.049 3.303 1.00 0.00 H new ATOM 0 HA ASP A 26 17.771 20.046 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.729 22.276 5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.472 21.537 6.436 1.00 0.00 H new ATOM 361 N SER A 27 15.218 18.772 6.823 1.00 0.00 N ATOM 362 CA SER A 27 14.788 17.683 7.700 1.00 0.00 C ATOM 363 C SER A 27 13.260 17.736 7.837 1.00 0.00 C ATOM 364 O SER A 27 12.744 18.203 8.860 1.00 0.00 O ATOM 365 CB SER A 27 15.480 17.806 9.074 1.00 0.00 C ATOM 366 OG SER A 27 16.850 17.435 8.998 1.00 0.00 O ATOM 0 H SER A 27 14.484 19.466 6.678 1.00 0.00 H new ATOM 0 HA SER A 27 15.072 16.721 7.274 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.398 18.832 9.434 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.969 17.172 9.799 1.00 0.00 H new ATOM 0 HG SER A 27 17.140 17.444 8.062 1.00 0.00 H new ATOM 372 N SER A 28 12.544 17.293 6.798 1.00 0.00 N ATOM 373 CA SER A 28 11.093 17.159 6.797 1.00 0.00 C ATOM 374 C SER A 28 10.697 15.708 6.483 1.00 0.00 C ATOM 375 O SER A 28 10.672 15.276 5.327 1.00 0.00 O ATOM 376 CB SER A 28 10.417 18.174 5.860 1.00 0.00 C ATOM 377 OG SER A 28 11.296 19.105 5.255 1.00 0.00 O ATOM 0 H SER A 28 12.973 17.012 5.916 1.00 0.00 H new ATOM 0 HA SER A 28 10.726 17.395 7.796 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.893 17.629 5.075 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.663 18.722 6.425 1.00 0.00 H new ATOM 0 HG SER A 28 10.785 19.709 4.677 1.00 0.00 H new ATOM 383 N ALA A 29 10.394 14.952 7.534 1.00 0.00 N ATOM 384 CA ALA A 29 9.761 13.639 7.525 1.00 0.00 C ATOM 385 C ALA A 29 8.760 13.632 8.685 1.00 0.00 C ATOM 386 O ALA A 29 8.856 14.494 9.566 1.00 0.00 O ATOM 387 CB ALA A 29 10.841 12.568 7.728 1.00 0.00 C ATOM 0 H ALA A 29 10.600 15.265 8.483 1.00 0.00 H new ATOM 0 HA ALA A 29 9.252 13.431 6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.380 11.580 7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.572 12.631 6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.340 12.731 8.683 1.00 0.00 H new ATOM 393 N GLY A 30 7.822 12.680 8.747 1.00 0.00 N ATOM 394 CA GLY A 30 7.056 12.436 9.959 1.00 0.00 C ATOM 395 C GLY A 30 5.620 12.059 9.659 1.00 0.00 C ATOM 396 O GLY A 30 5.195 12.030 8.500 1.00 0.00 O ATOM 0 H GLY A 30 7.580 12.069 7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.528 11.637 10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.073 13.329 10.584 1.00 0.00 H new ATOM 400 N SER A 31 4.891 11.713 10.715 1.00 0.00 N ATOM 401 CA SER A 31 3.657 10.969 10.607 1.00 0.00 C ATOM 402 C SER A 31 2.459 11.918 10.514 1.00 0.00 C ATOM 403 O SER A 31 2.149 12.603 11.497 1.00 0.00 O ATOM 404 CB SER A 31 3.536 10.039 11.821 1.00 0.00 C ATOM 405 OG SER A 31 3.735 10.756 13.032 1.00 0.00 O ATOM 0 H SER A 31 5.148 11.946 11.674 1.00 0.00 H new ATOM 0 HA SER A 31 3.665 10.371 9.696 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.552 9.571 11.829 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.270 9.237 11.744 1.00 0.00 H new ATOM 0 HG SER A 31 3.289 11.627 12.974 1.00 0.00 H new ATOM 411 N PHE A 32 1.775 11.949 9.372 1.00 0.00 N ATOM 412 CA PHE A 32 0.518 12.684 9.181 1.00 0.00 C ATOM 413 C PHE A 32 -0.635 11.786 8.719 1.00 0.00 C ATOM 414 O PHE A 32 -0.582 10.563 8.856 1.00 0.00 O ATOM 415 CB PHE A 32 0.738 13.953 8.339 1.00 0.00 C ATOM 416 CG PHE A 32 1.088 13.819 6.865 1.00 0.00 C ATOM 417 CD1 PHE A 32 2.342 13.305 6.476 1.00 0.00 C ATOM 418 CD2 PHE A 32 0.242 14.378 5.885 1.00 0.00 C ATOM 419 CE1 PHE A 32 2.731 13.320 5.122 1.00 0.00 C ATOM 420 CE2 PHE A 32 0.669 14.456 4.551 1.00 0.00 C ATOM 421 CZ PHE A 32 1.899 13.909 4.160 1.00 0.00 C ATOM 0 H PHE A 32 2.082 11.455 8.534 1.00 0.00 H new ATOM 0 HA PHE A 32 0.183 13.039 10.156 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.170 14.552 8.407 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.534 14.527 8.814 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.009 12.897 7.221 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.735 14.746 6.162 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.670 12.878 4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.043 14.943 3.817 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.204 13.941 3.124 1.00 0.00 H new ATOM 431 N ILE A 33 -1.728 12.402 8.270 1.00 0.00 N ATOM 432 CA ILE A 33 -2.968 11.795 7.811 1.00 0.00 C ATOM 433 C ILE A 33 -3.334 12.549 6.533 1.00 0.00 C ATOM 434 O ILE A 33 -3.126 13.761 6.466 1.00 0.00 O ATOM 435 CB ILE A 33 -4.057 11.942 8.904 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.574 11.300 10.225 1.00 0.00 C ATOM 437 CG2 ILE A 33 -5.394 11.357 8.409 1.00 0.00 C ATOM 438 CD1 ILE A 33 -4.612 11.238 11.348 1.00 0.00 C ATOM 0 H ILE A 33 -1.768 13.420 8.215 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.873 10.727 7.615 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.232 12.998 9.108 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.234 10.286 10.012 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.709 11.858 10.584 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.150 11.467 9.187 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.715 11.889 7.514 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.265 10.300 8.176 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.169 10.770 12.227 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.937 12.248 11.599 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.470 10.652 11.018 1.00 0.00 H new ATOM 450 N LEU A 34 -3.887 11.853 5.537 1.00 0.00 N ATOM 451 CA LEU A 34 -4.270 12.423 4.249 1.00 0.00 C ATOM 452 C LEU A 34 -5.748 12.171 3.985 1.00 0.00 C ATOM 453 O LEU A 34 -6.353 11.265 4.569 1.00 0.00 O ATOM 454 CB LEU A 34 -3.434 11.779 3.135 1.00 0.00 C ATOM 455 CG LEU A 34 -1.973 12.253 3.111 1.00 0.00 C ATOM 456 CD1 LEU A 34 -1.157 11.268 2.274 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.862 13.661 2.518 1.00 0.00 C ATOM 0 H LEU A 34 -4.084 10.855 5.608 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.090 13.498 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.454 10.696 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.895 12.000 2.172 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.590 12.290 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.116 11.590 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.218 10.275 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.554 11.236 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.817 13.972 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.245 13.657 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.445 14.357 3.121 1.00 0.00 H new ATOM 469 N ASP A 35 -6.310 12.922 3.041 1.00 0.00 N ATOM 470 CA ASP A 35 -7.699 12.835 2.615 1.00 0.00 C ATOM 471 C ASP A 35 -7.713 12.124 1.269 1.00 0.00 C ATOM 472 O ASP A 35 -7.642 12.766 0.215 1.00 0.00 O ATOM 473 CB ASP A 35 -8.359 14.222 2.570 1.00 0.00 C ATOM 474 CG ASP A 35 -8.646 14.756 3.970 1.00 0.00 C ATOM 475 OD1 ASP A 35 -9.399 14.087 4.712 1.00 0.00 O ATOM 476 OD2 ASP A 35 -8.114 15.845 4.304 1.00 0.00 O ATOM 0 H ASP A 35 -5.787 13.635 2.533 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.293 12.265 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.708 14.918 2.042 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.289 14.164 2.005 1.00 0.00 H new ATOM 481 N ILE A 36 -7.744 10.790 1.310 1.00 0.00 N ATOM 482 CA ILE A 36 -7.687 9.928 0.137 1.00 0.00 C ATOM 483 C ILE A 36 -9.027 9.206 0.052 1.00 0.00 C ATOM 484 O ILE A 36 -9.502 8.623 1.028 1.00 0.00 O ATOM 485 CB ILE A 36 -6.484 8.957 0.180 1.00 0.00 C ATOM 486 CG1 ILE A 36 -5.175 9.670 0.595 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.335 8.307 -1.210 1.00 0.00 C ATOM 488 CD1 ILE A 36 -3.938 8.765 0.594 1.00 0.00 C ATOM 0 H ILE A 36 -7.811 10.270 2.185 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.524 10.519 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.672 8.195 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.000 10.506 -0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.304 10.089 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.491 7.618 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.246 7.762 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.163 9.082 -1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.064 9.343 0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.089 7.942 1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.780 8.366 -0.408 1.00 0.00 H new ATOM 500 N THR A 37 -9.637 9.281 -1.122 1.00 0.00 N ATOM 501 CA THR A 37 -10.950 8.753 -1.412 1.00 0.00 C ATOM 502 C THR A 37 -10.818 7.248 -1.637 1.00 0.00 C ATOM 503 O THR A 37 -10.179 6.831 -2.603 1.00 0.00 O ATOM 504 CB THR A 37 -11.518 9.450 -2.662 1.00 0.00 C ATOM 505 OG1 THR A 37 -11.225 10.836 -2.684 1.00 0.00 O ATOM 506 CG2 THR A 37 -13.032 9.309 -2.676 1.00 0.00 C ATOM 0 H THR A 37 -9.207 9.732 -1.929 1.00 0.00 H new ATOM 0 HA THR A 37 -11.634 8.936 -0.584 1.00 0.00 H new ATOM 0 HB THR A 37 -11.056 8.974 -3.527 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.602 11.237 -3.495 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.435 9.802 -3.561 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.299 8.252 -2.696 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.449 9.771 -1.781 1.00 0.00 H new ATOM 514 N SER A 38 -11.415 6.424 -0.776 1.00 0.00 N ATOM 515 CA SER A 38 -11.253 4.979 -0.841 1.00 0.00 C ATOM 516 C SER A 38 -12.550 4.262 -0.468 1.00 0.00 C ATOM 517 O SER A 38 -12.649 3.684 0.616 1.00 0.00 O ATOM 518 CB SER A 38 -10.054 4.581 0.036 1.00 0.00 C ATOM 519 OG SER A 38 -10.150 5.149 1.329 1.00 0.00 O ATOM 0 H SER A 38 -12.021 6.741 -0.019 1.00 0.00 H new ATOM 0 HA SER A 38 -11.039 4.664 -1.862 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.005 3.495 0.117 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.129 4.908 -0.439 1.00 0.00 H new ATOM 0 HG SER A 38 -11.026 4.938 1.715 1.00 0.00 H new ATOM 525 N TYR A 39 -13.555 4.277 -1.350 1.00 0.00 N ATOM 526 CA TYR A 39 -14.840 3.643 -1.057 1.00 0.00 C ATOM 527 C TYR A 39 -15.601 3.255 -2.325 1.00 0.00 C ATOM 528 O TYR A 39 -15.260 3.703 -3.422 1.00 0.00 O ATOM 529 CB TYR A 39 -15.696 4.602 -0.193 1.00 0.00 C ATOM 530 CG TYR A 39 -16.141 5.906 -0.846 1.00 0.00 C ATOM 531 CD1 TYR A 39 -17.374 5.977 -1.526 1.00 0.00 C ATOM 532 CD2 TYR A 39 -15.368 7.076 -0.709 1.00 0.00 C ATOM 533 CE1 TYR A 39 -17.812 7.195 -2.083 1.00 0.00 C ATOM 534 CE2 TYR A 39 -15.823 8.297 -1.237 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.030 8.361 -1.958 1.00 0.00 C ATOM 536 OH TYR A 39 -17.441 9.527 -2.531 1.00 0.00 O ATOM 0 H TYR A 39 -13.502 4.719 -2.268 1.00 0.00 H new ATOM 0 HA TYR A 39 -14.642 2.720 -0.512 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -16.587 4.063 0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.128 4.848 0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -17.987 5.093 -1.621 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -14.419 7.035 -0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -18.754 7.235 -2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -15.241 9.194 -1.088 1.00 0.00 H new ATOM 0 HH TYR A 39 -16.785 10.231 -2.347 1.00 0.00 H new ATOM 546 N LYS A 40 -16.659 2.451 -2.198 1.00 0.00 N ATOM 547 CA LYS A 40 -17.614 2.173 -3.270 1.00 0.00 C ATOM 548 C LYS A 40 -18.955 2.750 -2.858 1.00 0.00 C ATOM 549 O LYS A 40 -19.369 2.588 -1.707 1.00 0.00 O ATOM 550 CB LYS A 40 -17.661 0.676 -3.605 1.00 0.00 C ATOM 551 CG LYS A 40 -18.189 -0.272 -2.526 1.00 0.00 C ATOM 552 CD LYS A 40 -19.663 -0.580 -2.814 1.00 0.00 C ATOM 553 CE LYS A 40 -20.304 -1.302 -1.642 1.00 0.00 C ATOM 554 NZ LYS A 40 -19.964 -2.737 -1.585 1.00 0.00 N ATOM 0 H LYS A 40 -16.879 1.966 -1.328 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.305 2.651 -4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.277 0.549 -4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.652 0.358 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.606 -1.193 -2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.084 0.182 -1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.200 0.347 -3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.742 -1.193 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.990 -0.824 -0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.387 -1.194 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.432 -3.172 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.287 -3.205 -2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.934 -2.846 -1.495 1.00 0.00 H new ATOM 568 N LYS A 41 -19.614 3.462 -3.770 1.00 0.00 N ATOM 569 CA LYS A 41 -20.894 4.101 -3.526 1.00 0.00 C ATOM 570 C LYS A 41 -21.984 3.293 -4.183 1.00 0.00 C ATOM 571 O LYS A 41 -21.802 2.718 -5.259 1.00 0.00 O ATOM 572 CB LYS A 41 -20.844 5.522 -4.095 1.00 0.00 C ATOM 573 CG LYS A 41 -21.994 6.394 -3.591 1.00 0.00 C ATOM 574 CD LYS A 41 -21.790 7.866 -3.965 1.00 0.00 C ATOM 575 CE LYS A 41 -22.754 8.694 -3.116 1.00 0.00 C ATOM 576 NZ LYS A 41 -22.812 10.105 -3.526 1.00 0.00 N ATOM 0 H LYS A 41 -19.262 3.610 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.104 4.154 -2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -19.895 5.985 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -20.877 5.476 -5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -22.934 6.038 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.075 6.301 -2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.759 8.169 -3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.983 8.022 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -23.752 8.261 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.450 8.637 -2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.481 10.617 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.867 10.531 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.129 10.166 -4.515 1.00 0.00 H new ATOM 590 N THR A 42 -23.101 3.247 -3.481 1.00 0.00 N ATOM 591 CA THR A 42 -24.088 2.208 -3.587 1.00 0.00 C ATOM 592 C THR A 42 -25.383 2.862 -3.114 1.00 0.00 C ATOM 593 O THR A 42 -25.761 2.735 -1.949 1.00 0.00 O ATOM 594 CB THR A 42 -23.631 0.995 -2.739 1.00 0.00 C ATOM 595 OG1 THR A 42 -22.588 1.269 -1.806 1.00 0.00 O ATOM 596 CG2 THR A 42 -23.156 -0.147 -3.637 1.00 0.00 C ATOM 0 H THR A 42 -23.348 3.963 -2.798 1.00 0.00 H new ATOM 0 HA THR A 42 -24.232 1.810 -4.592 1.00 0.00 H new ATOM 0 HB THR A 42 -24.519 0.724 -2.168 1.00 0.00 H new ATOM 0 HG1 THR A 42 -22.873 1.982 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.840 -0.988 -3.020 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.972 -0.461 -4.288 1.00 0.00 H new ATOM 0 HG23 THR A 42 -22.317 0.193 -4.244 1.00 0.00 H new ATOM 604 N GLY A 43 -25.981 3.680 -3.989 1.00 0.00 N ATOM 605 CA GLY A 43 -27.205 4.424 -3.730 1.00 0.00 C ATOM 606 C GLY A 43 -27.017 5.401 -2.579 1.00 0.00 C ATOM 607 O GLY A 43 -26.527 6.520 -2.771 1.00 0.00 O ATOM 0 H GLY A 43 -25.609 3.843 -4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.501 4.967 -4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -28.013 3.731 -3.495 1.00 0.00 H new ATOM 611 N ASN A 44 -27.377 4.983 -1.367 1.00 0.00 N ATOM 612 CA ASN A 44 -27.350 5.824 -0.175 1.00 0.00 C ATOM 613 C ASN A 44 -26.324 5.372 0.863 1.00 0.00 C ATOM 614 O ASN A 44 -26.304 5.917 1.963 1.00 0.00 O ATOM 615 CB ASN A 44 -28.764 5.981 0.408 1.00 0.00 C ATOM 616 CG ASN A 44 -28.925 7.327 1.107 1.00 0.00 C ATOM 617 OD1 ASN A 44 -28.382 8.325 0.640 1.00 0.00 O ATOM 618 ND2 ASN A 44 -29.685 7.396 2.185 1.00 0.00 N ATOM 0 H ASN A 44 -27.701 4.033 -1.184 1.00 0.00 H new ATOM 0 HA ASN A 44 -27.008 6.812 -0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -29.501 5.892 -0.390 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -28.960 5.175 1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -29.832 8.292 2.649 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -30.125 6.553 2.554 1.00 0.00 H new ATOM 625 N SER A 45 -25.449 4.425 0.509 1.00 0.00 N ATOM 626 CA SER A 45 -24.433 3.895 1.403 1.00 0.00 C ATOM 627 C SER A 45 -23.077 3.799 0.696 1.00 0.00 C ATOM 628 O SER A 45 -22.994 3.604 -0.525 1.00 0.00 O ATOM 629 CB SER A 45 -24.878 2.518 1.893 1.00 0.00 C ATOM 630 OG SER A 45 -26.235 2.501 2.304 1.00 0.00 O ATOM 0 H SER A 45 -25.432 4.004 -0.420 1.00 0.00 H new ATOM 0 HA SER A 45 -24.315 4.568 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 45 -24.734 1.788 1.096 1.00 0.00 H new ATOM 0 HB3 SER A 45 -24.246 2.210 2.726 1.00 0.00 H new ATOM 0 HG SER A 45 -26.474 1.600 2.607 1.00 0.00 H new ATOM 636 N THR A 46 -22.006 3.862 1.482 1.00 0.00 N ATOM 637 CA THR A 46 -20.625 4.023 1.031 1.00 0.00 C ATOM 638 C THR A 46 -19.691 3.121 1.851 1.00 0.00 C ATOM 639 O THR A 46 -19.239 3.506 2.935 1.00 0.00 O ATOM 640 CB THR A 46 -20.223 5.510 1.129 1.00 0.00 C ATOM 641 OG1 THR A 46 -20.789 6.115 2.278 1.00 0.00 O ATOM 642 CG2 THR A 46 -20.712 6.307 -0.079 1.00 0.00 C ATOM 0 H THR A 46 -22.079 3.799 2.497 1.00 0.00 H new ATOM 0 HA THR A 46 -20.537 3.717 -0.012 1.00 0.00 H new ATOM 0 HB THR A 46 -19.134 5.526 1.177 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.519 7.056 2.319 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.410 7.349 0.026 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.277 5.893 -0.988 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.799 6.248 -0.138 1.00 0.00 H new ATOM 650 N LYS A 47 -19.426 1.895 1.382 1.00 0.00 N ATOM 651 CA LYS A 47 -18.512 0.978 2.080 1.00 0.00 C ATOM 652 C LYS A 47 -17.113 1.476 1.758 1.00 0.00 C ATOM 653 O LYS A 47 -16.761 1.519 0.575 1.00 0.00 O ATOM 654 CB LYS A 47 -18.737 -0.495 1.657 1.00 0.00 C ATOM 655 CG LYS A 47 -18.732 -1.505 2.824 1.00 0.00 C ATOM 656 CD LYS A 47 -17.378 -1.900 3.438 1.00 0.00 C ATOM 657 CE LYS A 47 -16.545 -2.855 2.569 1.00 0.00 C ATOM 658 NZ LYS A 47 -15.418 -3.445 3.328 1.00 0.00 N ATOM 0 H LYS A 47 -19.829 1.515 0.526 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.685 0.978 3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.691 -0.568 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.961 -0.778 0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.352 -1.096 3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -19.219 -2.417 2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.798 -0.996 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.554 -2.369 4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.184 -3.652 2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.159 -2.316 1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.879 -4.084 2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.794 -2.686 3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.788 -3.980 4.139 1.00 0.00 H new ATOM 672 N ALA A 48 -16.363 1.934 2.760 1.00 0.00 N ATOM 673 CA ALA A 48 -14.955 2.228 2.545 1.00 0.00 C ATOM 674 C ALA A 48 -14.224 0.914 2.307 1.00 0.00 C ATOM 675 O ALA A 48 -14.631 -0.128 2.821 1.00 0.00 O ATOM 676 CB ALA A 48 -14.348 2.963 3.736 1.00 0.00 C ATOM 0 H ALA A 48 -16.701 2.105 3.707 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.854 2.882 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.295 3.166 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.876 3.904 3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.438 2.345 4.629 1.00 0.00 H new ATOM 682 N LEU A 49 -13.124 0.977 1.570 1.00 0.00 N ATOM 683 CA LEU A 49 -12.233 -0.136 1.337 1.00 0.00 C ATOM 684 C LEU A 49 -10.862 0.231 1.887 1.00 0.00 C ATOM 685 O LEU A 49 -10.493 1.409 1.893 1.00 0.00 O ATOM 686 CB LEU A 49 -12.128 -0.373 -0.168 1.00 0.00 C ATOM 687 CG LEU A 49 -13.323 -0.993 -0.910 1.00 0.00 C ATOM 688 CD1 LEU A 49 -14.179 -1.954 -0.088 1.00 0.00 C ATOM 689 CD2 LEU A 49 -14.184 0.084 -1.562 1.00 0.00 C ATOM 0 H LEU A 49 -12.823 1.834 1.106 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.604 -1.038 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.911 0.586 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.264 -1.015 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.871 -1.617 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.993 -2.334 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.564 -2.786 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.591 -1.428 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.022 -0.384 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.563 0.760 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.584 0.646 -2.277 1.00 0.00 H new ATOM 701 N SER A 50 -10.111 -0.760 2.355 1.00 0.00 N ATOM 702 CA SER A 50 -8.719 -0.603 2.753 1.00 0.00 C ATOM 703 C SER A 50 -7.795 -0.812 1.543 1.00 0.00 C ATOM 704 O SER A 50 -8.261 -1.042 0.419 1.00 0.00 O ATOM 705 CB SER A 50 -8.449 -1.580 3.903 1.00 0.00 C ATOM 706 OG SER A 50 -8.941 -2.874 3.610 1.00 0.00 O ATOM 0 H SER A 50 -10.460 -1.712 2.470 1.00 0.00 H new ATOM 0 HA SER A 50 -8.514 0.407 3.109 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.377 -1.632 4.094 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.918 -1.209 4.815 1.00 0.00 H new ATOM 0 HG SER A 50 -8.752 -3.474 4.362 1.00 0.00 H new ATOM 712 N TRP A 51 -6.484 -0.710 1.760 1.00 0.00 N ATOM 713 CA TRP A 51 -5.454 -1.043 0.785 1.00 0.00 C ATOM 714 C TRP A 51 -4.263 -1.667 1.497 1.00 0.00 C ATOM 715 O TRP A 51 -4.007 -1.396 2.678 1.00 0.00 O ATOM 716 CB TRP A 51 -5.044 0.220 0.014 1.00 0.00 C ATOM 717 CG TRP A 51 -4.471 1.364 0.793 1.00 0.00 C ATOM 718 CD1 TRP A 51 -3.158 1.530 1.067 1.00 0.00 C ATOM 719 CD2 TRP A 51 -5.146 2.536 1.342 1.00 0.00 C ATOM 720 NE1 TRP A 51 -2.969 2.733 1.710 1.00 0.00 N ATOM 721 CE2 TRP A 51 -4.152 3.425 1.850 1.00 0.00 C ATOM 722 CE3 TRP A 51 -6.491 2.953 1.447 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -4.468 4.694 2.356 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -6.821 4.207 1.997 1.00 0.00 C ATOM 725 CH2 TRP A 51 -5.814 5.087 2.429 1.00 0.00 C ATOM 0 H TRP A 51 -6.101 -0.383 2.647 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.841 -1.767 0.068 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.312 -0.071 -0.739 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.922 0.585 -0.519 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -2.377 0.827 0.820 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.065 3.070 2.042 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.279 2.300 1.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.685 5.361 2.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -7.858 4.495 2.088 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.074 6.061 2.815 1.00 0.00 H new ATOM 736 N ASN A 52 -3.525 -2.475 0.746 1.00 0.00 N ATOM 737 CA ASN A 52 -2.158 -2.873 1.042 1.00 0.00 C ATOM 738 C ASN A 52 -1.209 -1.858 0.409 1.00 0.00 C ATOM 739 O ASN A 52 -1.569 -1.163 -0.545 1.00 0.00 O ATOM 740 CB ASN A 52 -1.874 -4.283 0.500 1.00 0.00 C ATOM 741 CG ASN A 52 -2.249 -4.424 -0.969 1.00 0.00 C ATOM 742 OD1 ASN A 52 -3.357 -4.833 -1.283 1.00 0.00 O ATOM 743 ND2 ASN A 52 -1.389 -4.096 -1.912 1.00 0.00 N ATOM 0 H ASN A 52 -3.877 -2.886 -0.119 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.009 -2.896 2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.816 -4.512 0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.430 -5.014 1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.651 -4.184 -2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.462 -3.754 -1.660 1.00 0.00 H new ATOM 750 N ALA A 53 0.026 -1.819 0.903 1.00 0.00 N ATOM 751 CA ALA A 53 1.174 -1.121 0.334 1.00 0.00 C ATOM 752 C ALA A 53 2.321 -2.142 0.281 1.00 0.00 C ATOM 753 O ALA A 53 2.240 -3.176 0.947 1.00 0.00 O ATOM 754 CB ALA A 53 1.525 0.076 1.224 1.00 0.00 C ATOM 0 H ALA A 53 0.266 -2.306 1.767 1.00 0.00 H new ATOM 0 HA ALA A 53 0.973 -0.735 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.382 0.602 0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.673 0.754 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.770 -0.275 2.226 1.00 0.00 H new ATOM 760 N SER A 54 3.380 -1.896 -0.493 1.00 0.00 N ATOM 761 CA SER A 54 4.569 -2.759 -0.545 1.00 0.00 C ATOM 762 C SER A 54 5.659 -2.065 -1.349 1.00 0.00 C ATOM 763 O SER A 54 5.352 -1.434 -2.367 1.00 0.00 O ATOM 764 CB SER A 54 4.259 -4.111 -1.205 1.00 0.00 C ATOM 765 OG SER A 54 3.598 -5.011 -0.329 1.00 0.00 O ATOM 0 H SER A 54 3.440 -1.085 -1.109 1.00 0.00 H new ATOM 0 HA SER A 54 4.896 -2.940 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.638 -3.947 -2.086 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.189 -4.564 -1.550 1.00 0.00 H new ATOM 0 HG SER A 54 3.121 -4.505 0.361 1.00 0.00 H new ATOM 771 N GLY A 55 6.910 -2.208 -0.914 1.00 0.00 N ATOM 772 CA GLY A 55 8.091 -1.692 -1.579 1.00 0.00 C ATOM 773 C GLY A 55 9.086 -1.160 -0.551 1.00 0.00 C ATOM 774 O GLY A 55 9.409 -1.862 0.412 1.00 0.00 O ATOM 0 H GLY A 55 7.130 -2.708 -0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.556 -2.479 -2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.810 -0.897 -2.269 1.00 0.00 H new ATOM 778 N ASP A 56 9.538 0.078 -0.766 1.00 0.00 N ATOM 779 CA ASP A 56 10.534 0.827 0.011 1.00 0.00 C ATOM 780 C ASP A 56 10.288 0.699 1.526 1.00 0.00 C ATOM 781 O ASP A 56 9.150 0.785 1.988 1.00 0.00 O ATOM 782 CB ASP A 56 10.484 2.311 -0.414 1.00 0.00 C ATOM 783 CG ASP A 56 11.571 2.754 -1.405 1.00 0.00 C ATOM 784 OD1 ASP A 56 12.728 2.955 -0.963 1.00 0.00 O ATOM 785 OD2 ASP A 56 11.238 3.006 -2.588 1.00 0.00 O ATOM 0 H ASP A 56 9.190 0.629 -1.551 1.00 0.00 H new ATOM 0 HA ASP A 56 11.520 0.410 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.509 2.510 -0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.559 2.929 0.480 1.00 0.00 H new ATOM 790 N SER A 57 11.358 0.493 2.299 1.00 0.00 N ATOM 791 CA SER A 57 11.370 0.058 3.704 1.00 0.00 C ATOM 792 C SER A 57 10.905 1.074 4.763 1.00 0.00 C ATOM 793 O SER A 57 11.062 0.806 5.957 1.00 0.00 O ATOM 794 CB SER A 57 12.805 -0.362 4.048 1.00 0.00 C ATOM 795 OG SER A 57 13.420 -1.070 2.982 1.00 0.00 O ATOM 0 H SER A 57 12.302 0.634 1.939 1.00 0.00 H new ATOM 0 HA SER A 57 10.634 -0.745 3.755 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.396 0.523 4.284 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.796 -0.987 4.941 1.00 0.00 H new ATOM 0 HG SER A 57 14.333 -1.319 3.238 1.00 0.00 H new ATOM 801 N TRP A 58 10.437 2.251 4.361 1.00 0.00 N ATOM 802 CA TRP A 58 10.361 3.434 5.218 1.00 0.00 C ATOM 803 C TRP A 58 9.069 4.224 5.005 1.00 0.00 C ATOM 804 O TRP A 58 9.001 5.392 5.375 1.00 0.00 O ATOM 805 CB TRP A 58 11.609 4.287 4.936 1.00 0.00 C ATOM 806 CG TRP A 58 11.862 4.616 3.496 1.00 0.00 C ATOM 807 CD1 TRP A 58 12.466 3.792 2.613 1.00 0.00 C ATOM 808 CD2 TRP A 58 11.536 5.833 2.753 1.00 0.00 C ATOM 809 NE1 TRP A 58 12.522 4.403 1.383 1.00 0.00 N ATOM 810 CE2 TRP A 58 12.026 5.685 1.424 1.00 0.00 C ATOM 811 CE3 TRP A 58 10.904 7.056 3.059 1.00 0.00 C ATOM 812 CZ2 TRP A 58 11.959 6.712 0.474 1.00 0.00 C ATOM 813 CZ3 TRP A 58 10.823 8.096 2.113 1.00 0.00 C ATOM 814 CH2 TRP A 58 11.362 7.933 0.826 1.00 0.00 C ATOM 0 H TRP A 58 10.093 2.415 3.415 1.00 0.00 H new ATOM 0 HA TRP A 58 10.339 3.131 6.265 1.00 0.00 H new ATOM 0 HB2 TRP A 58 11.521 5.220 5.492 1.00 0.00 H new ATOM 0 HB3 TRP A 58 12.481 3.763 5.328 1.00 0.00 H new ATOM 0 HD1 TRP A 58 12.846 2.806 2.838 1.00 0.00 H new ATOM 0 HE1 TRP A 58 12.888 3.959 0.541 1.00 0.00 H new ATOM 0 HE3 TRP A 58 10.473 7.198 4.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.362 6.566 -0.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 10.343 9.026 2.379 1.00 0.00 H new ATOM 0 HH2 TRP A 58 11.317 8.742 0.112 1.00 0.00 H new ATOM 825 N ILE A 59 8.061 3.640 4.362 1.00 0.00 N ATOM 826 CA ILE A 59 6.862 4.346 3.931 1.00 0.00 C ATOM 827 C ILE A 59 5.705 3.590 4.580 1.00 0.00 C ATOM 828 O ILE A 59 5.148 2.640 4.020 1.00 0.00 O ATOM 829 CB ILE A 59 6.853 4.445 2.389 1.00 0.00 C ATOM 830 CG1 ILE A 59 7.924 5.466 1.933 1.00 0.00 C ATOM 831 CG2 ILE A 59 5.456 4.810 1.846 1.00 0.00 C ATOM 832 CD1 ILE A 59 8.284 5.389 0.448 1.00 0.00 C ATOM 0 H ILE A 59 8.056 2.648 4.123 1.00 0.00 H new ATOM 0 HA ILE A 59 6.794 5.387 4.246 1.00 0.00 H new ATOM 0 HB ILE A 59 7.098 3.467 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.567 6.472 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.828 5.312 2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.493 4.870 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.739 4.045 2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.148 5.774 2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.040 6.139 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.675 4.397 0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.394 5.575 -0.152 1.00 0.00 H new ATOM 844 N HIS A 60 5.386 4.002 5.802 1.00 0.00 N ATOM 845 CA HIS A 60 4.235 3.533 6.545 1.00 0.00 C ATOM 846 C HIS A 60 3.004 4.163 5.911 1.00 0.00 C ATOM 847 O HIS A 60 2.939 5.389 5.810 1.00 0.00 O ATOM 848 CB HIS A 60 4.326 3.993 8.005 1.00 0.00 C ATOM 849 CG HIS A 60 5.531 3.500 8.755 1.00 0.00 C ATOM 850 ND1 HIS A 60 5.596 2.326 9.463 1.00 0.00 N ATOM 851 CD2 HIS A 60 6.698 4.187 8.970 1.00 0.00 C ATOM 852 CE1 HIS A 60 6.778 2.307 10.105 1.00 0.00 C ATOM 853 NE2 HIS A 60 7.475 3.427 9.846 1.00 0.00 N ATOM 0 H HIS A 60 5.940 4.690 6.312 1.00 0.00 H new ATOM 0 HA HIS A 60 4.188 2.444 6.522 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.324 5.083 8.027 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.430 3.662 8.530 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.967 5.141 8.541 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.120 1.503 10.740 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.393 3.673 10.217 1.00 0.00 H new ATOM 861 N VAL A 61 2.015 3.358 5.533 1.00 0.00 N ATOM 862 CA VAL A 61 0.729 3.854 5.047 1.00 0.00 C ATOM 863 C VAL A 61 -0.364 3.001 5.682 1.00 0.00 C ATOM 864 O VAL A 61 -0.823 2.007 5.113 1.00 0.00 O ATOM 865 CB VAL A 61 0.679 3.889 3.506 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.595 4.627 3.068 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.887 4.606 2.878 1.00 0.00 C ATOM 0 H VAL A 61 2.082 2.340 5.555 1.00 0.00 H new ATOM 0 HA VAL A 61 0.574 4.891 5.343 1.00 0.00 H new ATOM 0 HB VAL A 61 0.692 2.854 3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.641 4.658 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.470 4.103 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.579 5.644 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.792 4.596 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.922 5.637 3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.805 4.093 3.166 1.00 0.00 H new ATOM 877 N ASN A 62 -0.752 3.366 6.899 1.00 0.00 N ATOM 878 CA ASN A 62 -1.681 2.617 7.731 1.00 0.00 C ATOM 879 C ASN A 62 -3.106 3.110 7.462 1.00 0.00 C ATOM 880 O ASN A 62 -3.787 3.627 8.348 1.00 0.00 O ATOM 881 CB ASN A 62 -1.231 2.717 9.200 1.00 0.00 C ATOM 882 CG ASN A 62 -1.417 1.386 9.901 1.00 0.00 C ATOM 883 OD1 ASN A 62 -2.337 1.179 10.678 1.00 0.00 O ATOM 884 ND2 ASN A 62 -0.516 0.443 9.674 1.00 0.00 N ATOM 0 H ASN A 62 -0.417 4.219 7.346 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.682 1.555 7.488 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.184 3.017 9.247 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.807 3.488 9.712 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.589 -0.457 10.148 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.252 0.617 9.025 1.00 0.00 H new ATOM 891 N GLY A 63 -3.539 3.003 6.202 1.00 0.00 N ATOM 892 CA GLY A 63 -4.796 3.559 5.721 1.00 0.00 C ATOM 893 C GLY A 63 -4.808 5.074 5.906 1.00 0.00 C ATOM 894 O GLY A 63 -3.991 5.785 5.313 1.00 0.00 O ATOM 0 H GLY A 63 -3.011 2.517 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.931 3.313 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.630 3.113 6.262 1.00 0.00 H new ATOM 898 N SER A 64 -5.712 5.574 6.744 1.00 0.00 N ATOM 899 CA SER A 64 -5.819 6.971 7.152 1.00 0.00 C ATOM 900 C SER A 64 -4.740 7.379 8.175 1.00 0.00 C ATOM 901 O SER A 64 -5.015 8.117 9.119 1.00 0.00 O ATOM 902 CB SER A 64 -7.257 7.232 7.619 1.00 0.00 C ATOM 903 OG SER A 64 -7.801 6.167 8.381 1.00 0.00 O ATOM 0 H SER A 64 -6.424 4.987 7.178 1.00 0.00 H new ATOM 0 HA SER A 64 -5.616 7.619 6.299 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.278 8.144 8.215 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.889 7.406 6.748 1.00 0.00 H new ATOM 0 HG SER A 64 -8.716 6.392 8.651 1.00 0.00 H new ATOM 909 N SER A 65 -3.507 6.901 8.025 1.00 0.00 N ATOM 910 CA SER A 65 -2.331 7.408 8.710 1.00 0.00 C ATOM 911 C SER A 65 -1.136 7.113 7.802 1.00 0.00 C ATOM 912 O SER A 65 -1.149 6.119 7.070 1.00 0.00 O ATOM 913 CB SER A 65 -2.165 6.714 10.065 1.00 0.00 C ATOM 914 OG SER A 65 -3.362 6.674 10.823 1.00 0.00 O ATOM 0 H SER A 65 -3.297 6.123 7.400 1.00 0.00 H new ATOM 0 HA SER A 65 -2.417 8.477 8.904 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.811 5.696 9.903 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.396 7.231 10.639 1.00 0.00 H new ATOM 0 HG SER A 65 -3.195 6.219 11.675 1.00 0.00 H new ATOM 920 N VAL A 66 -0.099 7.943 7.827 1.00 0.00 N ATOM 921 CA VAL A 66 1.046 7.816 6.937 1.00 0.00 C ATOM 922 C VAL A 66 2.285 8.350 7.653 1.00 0.00 C ATOM 923 O VAL A 66 2.191 9.362 8.341 1.00 0.00 O ATOM 924 CB VAL A 66 0.718 8.529 5.602 1.00 0.00 C ATOM 925 CG1 VAL A 66 0.189 9.969 5.740 1.00 0.00 C ATOM 926 CG2 VAL A 66 1.902 8.546 4.637 1.00 0.00 C ATOM 0 H VAL A 66 -0.030 8.730 8.472 1.00 0.00 H new ATOM 0 HA VAL A 66 1.263 6.778 6.685 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.091 7.919 5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.010 10.380 4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.732 9.964 6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.934 10.584 6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.615 9.058 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.740 9.069 5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.197 7.523 4.405 1.00 0.00 H new ATOM 936 N SER A 67 3.436 7.690 7.512 1.00 0.00 N ATOM 937 CA SER A 67 4.727 8.213 7.940 1.00 0.00 C ATOM 938 C SER A 67 5.766 7.769 6.920 1.00 0.00 C ATOM 939 O SER A 67 6.093 6.585 6.840 1.00 0.00 O ATOM 940 CB SER A 67 5.095 7.778 9.364 1.00 0.00 C ATOM 941 OG SER A 67 5.974 8.733 9.941 1.00 0.00 O ATOM 0 H SER A 67 3.494 6.763 7.090 1.00 0.00 H new ATOM 0 HA SER A 67 4.684 9.301 7.981 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.194 7.684 9.971 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.570 6.797 9.344 1.00 0.00 H new ATOM 0 HG SER A 67 6.207 8.455 10.851 1.00 0.00 H new ATOM 947 N TYR A 68 6.264 8.708 6.126 1.00 0.00 N ATOM 948 CA TYR A 68 7.461 8.507 5.321 1.00 0.00 C ATOM 949 C TYR A 68 8.648 8.851 6.226 1.00 0.00 C ATOM 950 O TYR A 68 8.851 10.018 6.573 1.00 0.00 O ATOM 951 CB TYR A 68 7.447 9.344 4.030 1.00 0.00 C ATOM 952 CG TYR A 68 6.099 9.541 3.355 1.00 0.00 C ATOM 953 CD1 TYR A 68 5.381 8.433 2.878 1.00 0.00 C ATOM 954 CD2 TYR A 68 5.560 10.832 3.192 1.00 0.00 C ATOM 955 CE1 TYR A 68 4.127 8.604 2.275 1.00 0.00 C ATOM 956 CE2 TYR A 68 4.306 11.015 2.580 1.00 0.00 C ATOM 957 CZ TYR A 68 3.575 9.896 2.130 1.00 0.00 C ATOM 958 OH TYR A 68 2.352 10.036 1.541 1.00 0.00 O ATOM 0 H TYR A 68 5.848 9.633 6.022 1.00 0.00 H new ATOM 0 HA TYR A 68 7.525 7.475 4.975 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.860 10.327 4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.120 8.874 3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.798 7.442 2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.115 11.691 3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.580 7.743 1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.904 12.010 2.455 1.00 0.00 H new ATOM 0 HH TYR A 68 2.108 10.985 1.515 1.00 0.00 H new ATOM 968 N ASP A 69 9.385 7.840 6.676 1.00 0.00 N ATOM 969 CA ASP A 69 10.566 7.967 7.532 1.00 0.00 C ATOM 970 C ASP A 69 11.711 8.658 6.782 1.00 0.00 C ATOM 971 O ASP A 69 11.663 8.813 5.559 1.00 0.00 O ATOM 972 CB ASP A 69 11.007 6.572 8.010 1.00 0.00 C ATOM 973 CG ASP A 69 11.542 6.570 9.437 1.00 0.00 C ATOM 974 OD1 ASP A 69 12.354 7.454 9.790 1.00 0.00 O ATOM 975 OD2 ASP A 69 11.087 5.684 10.200 1.00 0.00 O ATOM 0 H ASP A 69 9.169 6.870 6.447 1.00 0.00 H new ATOM 0 HA ASP A 69 10.310 8.581 8.396 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.161 5.888 7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.777 6.191 7.339 1.00 0.00 H new ATOM 980 N GLU A 70 12.760 9.064 7.492 1.00 0.00 N ATOM 981 CA GLU A 70 13.983 9.565 6.876 1.00 0.00 C ATOM 982 C GLU A 70 14.896 8.374 6.522 1.00 0.00 C ATOM 983 O GLU A 70 14.511 7.203 6.645 1.00 0.00 O ATOM 984 CB GLU A 70 14.636 10.627 7.782 1.00 0.00 C ATOM 985 CG GLU A 70 15.344 11.744 6.987 1.00 0.00 C ATOM 986 CD GLU A 70 15.904 12.873 7.869 1.00 0.00 C ATOM 987 OE1 GLU A 70 15.752 12.816 9.113 1.00 0.00 O ATOM 988 OE2 GLU A 70 16.478 13.841 7.328 1.00 0.00 O ATOM 0 H GLU A 70 12.785 9.055 8.512 1.00 0.00 H new ATOM 0 HA GLU A 70 13.770 10.078 5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.872 11.071 8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.358 10.142 8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 70 16.160 11.307 6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.641 12.169 6.271 1.00 0.00 H new ATOM 995 N ASN A 71 16.092 8.653 6.006 1.00 0.00 N ATOM 996 CA ASN A 71 17.079 7.675 5.554 1.00 0.00 C ATOM 997 C ASN A 71 18.288 7.729 6.504 1.00 0.00 C ATOM 998 O ASN A 71 18.449 8.699 7.244 1.00 0.00 O ATOM 999 CB ASN A 71 17.451 7.942 4.073 1.00 0.00 C ATOM 1000 CG ASN A 71 18.120 9.289 3.823 1.00 0.00 C ATOM 1001 OD1 ASN A 71 18.184 10.124 4.717 1.00 0.00 O ATOM 1002 ND2 ASN A 71 18.625 9.542 2.623 1.00 0.00 N ATOM 0 H ASN A 71 16.414 9.613 5.886 1.00 0.00 H new ATOM 0 HA ASN A 71 16.675 6.663 5.587 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.117 7.150 3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.547 7.882 3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.073 10.439 2.437 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.566 8.839 1.886 1.00 0.00 H new ATOM 1009 N PRO A 72 19.138 6.690 6.536 1.00 0.00 N ATOM 1010 CA PRO A 72 20.286 6.633 7.441 1.00 0.00 C ATOM 1011 C PRO A 72 21.544 7.304 6.872 1.00 0.00 C ATOM 1012 O PRO A 72 22.517 7.477 7.608 1.00 0.00 O ATOM 1013 CB PRO A 72 20.526 5.138 7.666 1.00 0.00 C ATOM 1014 CG PRO A 72 20.094 4.531 6.336 1.00 0.00 C ATOM 1015 CD PRO A 72 18.915 5.394 5.914 1.00 0.00 C ATOM 0 HA PRO A 72 20.077 7.180 8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 72 21.571 4.924 7.889 1.00 0.00 H new ATOM 0 HB3 PRO A 72 19.937 4.753 8.498 1.00 0.00 H new ATOM 0 HG2 PRO A 72 20.898 4.564 5.601 1.00 0.00 H new ATOM 0 HG3 PRO A 72 19.806 3.486 6.447 1.00 0.00 H new ATOM 0 HD2 PRO A 72 18.863 5.483 4.829 1.00 0.00 H new ATOM 0 HD3 PRO A 72 17.972 4.958 6.243 1.00 0.00 H new ATOM 1023 N ALA A 73 21.560 7.671 5.584 1.00 0.00 N ATOM 1024 CA ALA A 73 22.702 8.279 4.900 1.00 0.00 C ATOM 1025 C ALA A 73 22.316 9.627 4.298 1.00 0.00 C ATOM 1026 O ALA A 73 21.135 9.913 4.134 1.00 0.00 O ATOM 1027 CB ALA A 73 23.230 7.341 3.814 1.00 0.00 C ATOM 0 H ALA A 73 20.752 7.548 4.973 1.00 0.00 H new ATOM 0 HA ALA A 73 23.492 8.446 5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.079 7.806 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 73 23.546 6.401 4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 73 22.442 7.146 3.087 1.00 0.00 H new ATOM 1033 N LYS A 74 23.300 10.427 3.872 1.00 0.00 N ATOM 1034 CA LYS A 74 23.057 11.781 3.367 1.00 0.00 C ATOM 1035 C LYS A 74 23.049 11.877 1.845 1.00 0.00 C ATOM 1036 O LYS A 74 23.144 12.976 1.292 1.00 0.00 O ATOM 1037 CB LYS A 74 23.912 12.831 4.087 1.00 0.00 C ATOM 1038 CG LYS A 74 25.417 12.588 4.039 1.00 0.00 C ATOM 1039 CD LYS A 74 26.099 13.078 2.763 1.00 0.00 C ATOM 1040 CE LYS A 74 27.594 13.078 3.078 1.00 0.00 C ATOM 1041 NZ LYS A 74 28.416 13.626 1.992 1.00 0.00 N ATOM 0 H LYS A 74 24.283 10.155 3.868 1.00 0.00 H new ATOM 0 HA LYS A 74 22.030 12.033 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.704 13.808 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.601 12.876 5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 74 25.879 13.081 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 74 25.603 11.520 4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 74 25.875 12.423 1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 74 25.754 14.076 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 74 27.767 13.659 3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 74 27.914 12.057 3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 29.418 13.598 2.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 28.277 13.059 1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 28.135 14.610 1.807 1.00 0.00 H new ATOM 1055 N GLU A 75 22.985 10.743 1.149 1.00 0.00 N ATOM 1056 CA GLU A 75 22.646 10.753 -0.269 1.00 0.00 C ATOM 1057 C GLU A 75 21.135 10.985 -0.420 1.00 0.00 C ATOM 1058 O GLU A 75 20.398 10.970 0.570 1.00 0.00 O ATOM 1059 CB GLU A 75 23.109 9.456 -0.948 1.00 0.00 C ATOM 1060 CG GLU A 75 24.638 9.384 -0.994 1.00 0.00 C ATOM 1061 CD GLU A 75 25.133 8.181 -1.796 1.00 0.00 C ATOM 1062 OE1 GLU A 75 25.031 8.196 -3.044 1.00 0.00 O ATOM 1063 OE2 GLU A 75 25.705 7.242 -1.189 1.00 0.00 O ATOM 0 H GLU A 75 23.161 9.817 1.540 1.00 0.00 H new ATOM 0 HA GLU A 75 23.169 11.567 -0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 75 22.716 8.596 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 75 22.707 9.406 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.030 10.300 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.029 9.327 0.022 1.00 0.00 H new ATOM 1070 N ARG A 76 20.654 11.194 -1.648 1.00 0.00 N ATOM 1071 CA ARG A 76 19.255 11.510 -1.918 1.00 0.00 C ATOM 1072 C ARG A 76 18.580 10.316 -2.580 1.00 0.00 C ATOM 1073 O ARG A 76 19.180 9.663 -3.441 1.00 0.00 O ATOM 1074 CB ARG A 76 19.194 12.760 -2.814 1.00 0.00 C ATOM 1075 CG ARG A 76 17.879 13.504 -2.569 1.00 0.00 C ATOM 1076 CD ARG A 76 17.558 14.595 -3.585 1.00 0.00 C ATOM 1077 NE ARG A 76 18.610 15.621 -3.640 1.00 0.00 N ATOM 1078 CZ ARG A 76 19.291 16.016 -4.723 1.00 0.00 C ATOM 1079 NH1 ARG A 76 19.053 15.491 -5.924 1.00 0.00 N ATOM 1080 NH2 ARG A 76 20.212 16.962 -4.599 1.00 0.00 N ATOM 0 H ARG A 76 21.232 11.148 -2.487 1.00 0.00 H new ATOM 0 HA ARG A 76 18.724 11.720 -0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 76 20.039 13.414 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 76 19.271 12.472 -3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.064 12.780 -2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 76 17.912 13.951 -1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.436 14.148 -4.571 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.608 15.063 -3.327 1.00 0.00 H new ATOM 0 HE ARG A 76 18.846 16.080 -2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.338 14.771 -6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 76 19.585 15.809 -6.734 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.395 17.380 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.738 17.272 -5.416 1.00 0.00 H new ATOM 1094 N ARG A 77 17.307 10.060 -2.281 1.00 0.00 N ATOM 1095 CA ARG A 77 16.525 8.989 -2.902 1.00 0.00 C ATOM 1096 C ARG A 77 15.239 9.569 -3.465 1.00 0.00 C ATOM 1097 O ARG A 77 14.830 10.667 -3.091 1.00 0.00 O ATOM 1098 CB ARG A 77 16.224 7.890 -1.858 1.00 0.00 C ATOM 1099 CG ARG A 77 17.194 6.700 -1.895 1.00 0.00 C ATOM 1100 CD ARG A 77 16.854 5.650 -2.965 1.00 0.00 C ATOM 1101 NE ARG A 77 17.405 5.962 -4.294 1.00 0.00 N ATOM 1102 CZ ARG A 77 16.956 5.463 -5.452 1.00 0.00 C ATOM 1103 NH1 ARG A 77 15.887 4.675 -5.489 1.00 0.00 N ATOM 1104 NH2 ARG A 77 17.598 5.767 -6.570 1.00 0.00 N ATOM 0 H ARG A 77 16.782 10.597 -1.591 1.00 0.00 H new ATOM 0 HA ARG A 77 17.092 8.539 -3.717 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.250 8.334 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 77 15.210 7.522 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.203 7.072 -2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 77 17.200 6.219 -0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.232 4.680 -2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.770 5.560 -3.042 1.00 0.00 H new ATOM 0 HE ARG A 77 18.192 6.610 -4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.395 4.442 -4.626 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.558 4.303 -6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.419 6.371 -6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.271 5.397 -7.462 1.00 0.00 H new ATOM 1118 N THR A 78 14.583 8.776 -4.305 1.00 0.00 N ATOM 1119 CA THR A 78 13.177 8.904 -4.619 1.00 0.00 C ATOM 1120 C THR A 78 12.567 7.596 -4.125 1.00 0.00 C ATOM 1121 O THR A 78 12.996 6.533 -4.574 1.00 0.00 O ATOM 1122 CB THR A 78 12.979 9.162 -6.122 1.00 0.00 C ATOM 1123 OG1 THR A 78 13.670 10.353 -6.469 1.00 0.00 O ATOM 1124 CG2 THR A 78 11.498 9.289 -6.499 1.00 0.00 C ATOM 0 H THR A 78 15.035 8.005 -4.798 1.00 0.00 H new ATOM 0 HA THR A 78 12.692 9.755 -4.142 1.00 0.00 H new ATOM 0 HB THR A 78 13.375 8.309 -6.673 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.555 10.531 -7.426 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.409 9.471 -7.570 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.977 8.366 -6.243 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.053 10.120 -5.952 1.00 0.00 H new ATOM 1132 N GLY A 79 11.655 7.661 -3.152 1.00 0.00 N ATOM 1133 CA GLY A 79 10.891 6.490 -2.732 1.00 0.00 C ATOM 1134 C GLY A 79 9.842 6.149 -3.784 1.00 0.00 C ATOM 1135 O GLY A 79 9.459 7.031 -4.561 1.00 0.00 O ATOM 0 H GLY A 79 11.429 8.515 -2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.560 5.642 -2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.408 6.685 -1.774 1.00 0.00 H new ATOM 1139 N LEU A 80 9.357 4.904 -3.804 1.00 0.00 N ATOM 1140 CA LEU A 80 8.271 4.490 -4.686 1.00 0.00 C ATOM 1141 C LEU A 80 7.550 3.282 -4.082 1.00 0.00 C ATOM 1142 O LEU A 80 8.126 2.192 -4.023 1.00 0.00 O ATOM 1143 CB LEU A 80 8.849 4.159 -6.074 1.00 0.00 C ATOM 1144 CG LEU A 80 7.784 4.038 -7.176 1.00 0.00 C ATOM 1145 CD1 LEU A 80 7.174 5.390 -7.577 1.00 0.00 C ATOM 1146 CD2 LEU A 80 8.439 3.437 -8.421 1.00 0.00 C ATOM 0 H LEU A 80 9.710 4.156 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 80 7.545 5.296 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.562 4.934 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.403 3.222 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 80 6.984 3.413 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.430 5.236 -8.358 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.699 5.847 -6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.960 6.048 -7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.697 3.344 -9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.248 4.086 -8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.840 2.452 -8.182 1.00 0.00 H new ATOM 1158 N VAL A 81 6.302 3.438 -3.638 1.00 0.00 N ATOM 1159 CA VAL A 81 5.498 2.348 -3.072 1.00 0.00 C ATOM 1160 C VAL A 81 4.140 2.358 -3.757 1.00 0.00 C ATOM 1161 O VAL A 81 3.469 3.389 -3.795 1.00 0.00 O ATOM 1162 CB VAL A 81 5.372 2.502 -1.542 1.00 0.00 C ATOM 1163 CG1 VAL A 81 4.517 1.434 -0.854 1.00 0.00 C ATOM 1164 CG2 VAL A 81 6.757 2.441 -0.899 1.00 0.00 C ATOM 0 H VAL A 81 5.814 4.333 -3.660 1.00 0.00 H new ATOM 0 HA VAL A 81 5.981 1.387 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 81 4.878 3.464 -1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.488 1.626 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.504 1.464 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.949 0.450 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.662 2.550 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.222 1.482 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.376 3.247 -1.292 1.00 0.00 H new ATOM 1174 N THR A 82 3.744 1.237 -4.351 1.00 0.00 N ATOM 1175 CA THR A 82 2.428 1.093 -4.952 1.00 0.00 C ATOM 1176 C THR A 82 1.453 0.616 -3.876 1.00 0.00 C ATOM 1177 O THR A 82 1.749 -0.339 -3.150 1.00 0.00 O ATOM 1178 CB THR A 82 2.487 0.076 -6.101 1.00 0.00 C ATOM 1179 OG1 THR A 82 3.624 0.268 -6.925 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.253 0.165 -6.989 1.00 0.00 C ATOM 0 H THR A 82 4.328 0.404 -4.428 1.00 0.00 H new ATOM 0 HA THR A 82 2.094 2.049 -5.355 1.00 0.00 H new ATOM 0 HB THR A 82 2.540 -0.903 -5.625 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.625 -0.400 -7.642 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.329 -0.569 -7.792 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.362 -0.037 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.184 1.165 -7.417 1.00 0.00 H new ATOM 1188 N LEU A 83 0.261 1.209 -3.830 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.868 0.702 -3.055 1.00 0.00 C ATOM 1190 C LEU A 83 -1.941 0.211 -4.012 1.00 0.00 C ATOM 1191 O LEU A 83 -2.144 0.803 -5.077 1.00 0.00 O ATOM 1192 CB LEU A 83 -1.447 1.739 -2.070 1.00 0.00 C ATOM 1193 CG LEU A 83 -1.522 3.188 -2.571 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -2.699 3.925 -1.920 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -0.239 3.960 -2.239 1.00 0.00 C ATOM 0 H LEU A 83 0.050 2.068 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.504 -0.120 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.452 1.421 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.844 1.722 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.654 3.143 -3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.735 4.950 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.630 3.417 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.570 3.933 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.324 4.982 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.092 3.974 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.612 3.473 -2.715 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.649 -0.847 -3.614 1.00 0.00 N ATOM 1208 CA LYS A 84 -3.809 -1.383 -4.315 1.00 0.00 C ATOM 1209 C LYS A 84 -4.869 -1.645 -3.257 1.00 0.00 C ATOM 1210 O LYS A 84 -4.546 -2.043 -2.137 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.444 -2.664 -5.079 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.414 -2.937 -6.241 1.00 0.00 C ATOM 1213 CD LYS A 84 -4.089 -4.268 -6.931 1.00 0.00 C ATOM 1214 CE LYS A 84 -4.854 -4.435 -8.250 1.00 0.00 C ATOM 1215 NZ LYS A 84 -4.543 -5.734 -8.886 1.00 0.00 N ATOM 0 H LYS A 84 -2.421 -1.369 -2.768 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.179 -0.681 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.429 -2.578 -5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.453 -3.511 -4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.438 -2.958 -5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.356 -2.125 -6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.018 -4.324 -7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.336 -5.093 -6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.926 -4.365 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.595 -3.623 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.074 -5.821 -9.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.523 -5.788 -9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.813 -6.508 -8.245 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.110 -1.334 -3.599 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.256 -1.477 -2.724 1.00 0.00 C ATOM 1231 C GLN A 85 -7.577 -2.965 -2.548 1.00 0.00 C ATOM 1232 O GLN A 85 -7.289 -3.762 -3.437 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.428 -0.739 -3.385 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.660 -0.582 -2.485 1.00 0.00 C ATOM 1235 CD GLN A 85 -10.835 -0.056 -3.270 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -11.689 -0.811 -3.705 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.879 1.235 -3.492 1.00 0.00 N ATOM 0 H GLN A 85 -6.351 -0.965 -4.519 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.060 -1.057 -1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.091 0.250 -3.696 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.718 -1.276 -4.288 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.916 -1.544 -2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.432 0.098 -1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.151 1.842 -3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.641 1.632 -4.041 1.00 0.00 H new ATOM 1246 N ASP A 86 -8.312 -3.288 -1.482 1.00 0.00 N ATOM 1247 CA ASP A 86 -8.936 -4.591 -1.254 1.00 0.00 C ATOM 1248 C ASP A 86 -9.756 -5.102 -2.439 1.00 0.00 C ATOM 1249 O ASP A 86 -9.828 -6.312 -2.652 1.00 0.00 O ATOM 1250 CB ASP A 86 -9.870 -4.510 -0.039 1.00 0.00 C ATOM 1251 CG ASP A 86 -10.525 -5.863 0.238 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -9.787 -6.851 0.461 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -11.772 -5.938 0.258 1.00 0.00 O ATOM 0 H ASP A 86 -8.495 -2.626 -0.728 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.114 -5.289 -1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.306 -4.188 0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.639 -3.759 -0.216 1.00 0.00 H new ATOM 1258 N GLU A 87 -10.392 -4.197 -3.191 1.00 0.00 N ATOM 1259 CA GLU A 87 -11.338 -4.551 -4.243 1.00 0.00 C ATOM 1260 C GLU A 87 -11.034 -3.894 -5.590 1.00 0.00 C ATOM 1261 O GLU A 87 -11.274 -4.505 -6.630 1.00 0.00 O ATOM 1262 CB GLU A 87 -12.762 -4.211 -3.786 1.00 0.00 C ATOM 1263 CG GLU A 87 -13.335 -5.209 -2.769 1.00 0.00 C ATOM 1264 CD GLU A 87 -14.660 -5.786 -3.273 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -15.687 -5.067 -3.274 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -14.699 -6.957 -3.717 1.00 0.00 O ATOM 0 H GLU A 87 -10.260 -3.191 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.241 -5.624 -4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.765 -3.214 -3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.416 -4.177 -4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.621 -6.015 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.489 -4.713 -1.811 1.00 0.00 H new ATOM 1273 N SER A 88 -10.550 -2.656 -5.591 1.00 0.00 N ATOM 1274 CA SER A 88 -10.283 -1.896 -6.806 1.00 0.00 C ATOM 1275 C SER A 88 -8.858 -2.181 -7.303 1.00 0.00 C ATOM 1276 O SER A 88 -8.294 -3.245 -7.051 1.00 0.00 O ATOM 1277 CB SER A 88 -10.598 -0.408 -6.569 1.00 0.00 C ATOM 1278 OG SER A 88 -10.645 0.329 -7.775 1.00 0.00 O ATOM 0 H SER A 88 -10.329 -2.146 -4.736 1.00 0.00 H new ATOM 0 HA SER A 88 -10.941 -2.213 -7.615 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.554 -0.319 -6.054 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.841 0.021 -5.913 1.00 0.00 H new ATOM 0 HG SER A 88 -10.849 1.267 -7.577 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.294 -1.248 -8.070 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.029 -1.463 -8.757 1.00 0.00 C ATOM 1286 C GLY A 89 -6.417 -0.215 -9.382 1.00 0.00 C ATOM 1287 O GLY A 89 -5.470 -0.358 -10.153 1.00 0.00 O ATOM 0 H GLY A 89 -8.702 -0.327 -8.230 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.315 -1.884 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.179 -2.207 -9.539 1.00 0.00 H new ATOM 1291 N LYS A 90 -6.927 0.996 -9.107 1.00 0.00 N ATOM 1292 CA LYS A 90 -6.250 2.224 -9.503 1.00 0.00 C ATOM 1293 C LYS A 90 -5.017 2.359 -8.625 1.00 0.00 C ATOM 1294 O LYS A 90 -5.113 2.808 -7.488 1.00 0.00 O ATOM 1295 CB LYS A 90 -7.167 3.431 -9.316 1.00 0.00 C ATOM 1296 CG LYS A 90 -8.241 3.568 -10.392 1.00 0.00 C ATOM 1297 CD LYS A 90 -9.294 2.456 -10.486 1.00 0.00 C ATOM 1298 CE LYS A 90 -10.373 2.846 -11.504 1.00 0.00 C ATOM 1299 NZ LYS A 90 -11.467 3.640 -10.907 1.00 0.00 N ATOM 0 H LYS A 90 -7.806 1.143 -8.612 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.975 2.185 -10.557 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.651 3.359 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.561 4.337 -9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.762 4.512 -10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.742 3.642 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.822 1.520 -10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.747 2.288 -9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.914 3.418 -12.311 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.788 1.942 -11.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.166 3.875 -11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.926 3.088 -10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.080 4.517 -10.505 1.00 0.00 H new ATOM 1313 N THR A 91 -3.877 1.894 -9.090 1.00 0.00 N ATOM 1314 CA THR A 91 -2.709 1.834 -8.233 1.00 0.00 C ATOM 1315 C THR A 91 -2.184 3.258 -8.019 1.00 0.00 C ATOM 1316 O THR A 91 -1.764 3.913 -8.979 1.00 0.00 O ATOM 1317 CB THR A 91 -1.685 0.854 -8.805 1.00 0.00 C ATOM 1318 OG1 THR A 91 -1.522 0.979 -10.204 1.00 0.00 O ATOM 1319 CG2 THR A 91 -2.075 -0.598 -8.510 1.00 0.00 C ATOM 0 H THR A 91 -3.733 1.556 -10.042 1.00 0.00 H new ATOM 0 HA THR A 91 -2.956 1.441 -7.247 1.00 0.00 H new ATOM 0 HB THR A 91 -0.745 1.107 -8.314 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.856 0.331 -10.515 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.326 -1.269 -8.931 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.132 -0.748 -7.432 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.046 -0.812 -8.957 1.00 0.00 H new ATOM 1327 N LEU A 92 -2.254 3.775 -6.787 1.00 0.00 N ATOM 1328 CA LEU A 92 -1.689 5.084 -6.459 1.00 0.00 C ATOM 1329 C LEU A 92 -0.186 4.889 -6.396 1.00 0.00 C ATOM 1330 O LEU A 92 0.308 3.947 -5.768 1.00 0.00 O ATOM 1331 CB LEU A 92 -2.254 5.632 -5.139 1.00 0.00 C ATOM 1332 CG LEU A 92 -3.343 6.705 -5.305 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -4.554 6.194 -6.097 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -3.796 7.170 -3.918 1.00 0.00 C ATOM 0 H LEU A 92 -2.699 3.303 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.953 5.827 -7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.664 4.803 -4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.435 6.052 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.914 7.532 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.293 6.990 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.234 5.884 -7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.996 5.344 -5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.569 7.931 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.196 6.322 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.946 7.588 -3.379 1.00 0.00 H new ATOM 1346 N SER A 93 0.509 5.771 -7.101 1.00 0.00 N ATOM 1347 CA SER A 93 1.941 5.931 -7.000 1.00 0.00 C ATOM 1348 C SER A 93 2.191 6.939 -5.878 1.00 0.00 C ATOM 1349 O SER A 93 1.354 7.801 -5.589 1.00 0.00 O ATOM 1350 CB SER A 93 2.478 6.338 -8.381 1.00 0.00 C ATOM 1351 OG SER A 93 3.770 6.916 -8.389 1.00 0.00 O ATOM 0 H SER A 93 0.077 6.406 -7.772 1.00 0.00 H new ATOM 0 HA SER A 93 2.477 5.019 -6.737 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.490 5.455 -9.021 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.780 7.046 -8.828 1.00 0.00 H new ATOM 0 HG SER A 93 3.692 7.891 -8.448 1.00 0.00 H new ATOM 1357 N LEU A 94 3.346 6.836 -5.236 1.00 0.00 N ATOM 1358 CA LEU A 94 3.684 7.595 -4.051 1.00 0.00 C ATOM 1359 C LEU A 94 5.187 7.796 -4.103 1.00 0.00 C ATOM 1360 O LEU A 94 5.945 6.873 -3.802 1.00 0.00 O ATOM 1361 CB LEU A 94 3.223 6.828 -2.800 1.00 0.00 C ATOM 1362 CG LEU A 94 2.921 7.758 -1.617 1.00 0.00 C ATOM 1363 CD1 LEU A 94 2.440 6.870 -0.462 1.00 0.00 C ATOM 1364 CD2 LEU A 94 4.121 8.605 -1.170 1.00 0.00 C ATOM 0 H LEU A 94 4.089 6.205 -5.536 1.00 0.00 H new ATOM 0 HA LEU A 94 3.186 8.564 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.331 6.250 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.995 6.116 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 94 2.164 8.478 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.213 7.491 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.543 6.330 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.222 6.157 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.829 9.236 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.936 7.949 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.452 9.233 -1.997 1.00 0.00 H new ATOM 1376 N LYS A 95 5.609 8.969 -4.570 1.00 0.00 N ATOM 1377 CA LYS A 95 7.008 9.343 -4.655 1.00 0.00 C ATOM 1378 C LYS A 95 7.246 10.340 -3.527 1.00 0.00 C ATOM 1379 O LYS A 95 6.354 11.107 -3.172 1.00 0.00 O ATOM 1380 CB LYS A 95 7.303 9.924 -6.053 1.00 0.00 C ATOM 1381 CG LYS A 95 7.108 8.910 -7.201 1.00 0.00 C ATOM 1382 CD LYS A 95 6.759 9.525 -8.570 1.00 0.00 C ATOM 1383 CE LYS A 95 7.956 10.124 -9.327 1.00 0.00 C ATOM 1384 NZ LYS A 95 7.559 10.617 -10.668 1.00 0.00 N ATOM 0 H LYS A 95 4.974 9.694 -4.904 1.00 0.00 H new ATOM 0 HA LYS A 95 7.684 8.496 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.654 10.782 -6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.329 10.291 -6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.022 8.325 -7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.316 8.216 -6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.300 8.757 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.012 10.305 -8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.381 10.944 -8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.736 9.370 -9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.389 11.015 -11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.176 9.829 -11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.832 11.354 -10.566 1.00 0.00 H new ATOM 1398 N ILE A 96 8.457 10.367 -2.993 1.00 0.00 N ATOM 1399 CA ILE A 96 8.961 11.392 -2.081 1.00 0.00 C ATOM 1400 C ILE A 96 10.390 11.623 -2.556 1.00 0.00 C ATOM 1401 O ILE A 96 11.079 10.630 -2.806 1.00 0.00 O ATOM 1402 CB ILE A 96 8.959 10.914 -0.603 1.00 0.00 C ATOM 1403 CG1 ILE A 96 7.623 10.325 -0.091 1.00 0.00 C ATOM 1404 CG2 ILE A 96 9.379 12.061 0.333 1.00 0.00 C ATOM 1405 CD1 ILE A 96 7.610 8.793 -0.153 1.00 0.00 C ATOM 0 H ILE A 96 9.149 9.644 -3.190 1.00 0.00 H new ATOM 0 HA ILE A 96 8.342 12.289 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 96 9.677 10.094 -0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.454 10.648 0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.801 10.719 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 96 9.372 11.710 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.382 12.396 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.680 12.891 0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.654 8.422 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.752 8.469 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.416 8.397 0.465 1.00 0.00 H new ATOM 1417 N VAL A 97 10.845 12.873 -2.685 1.00 0.00 N ATOM 1418 CA VAL A 97 12.235 13.180 -3.015 1.00 0.00 C ATOM 1419 C VAL A 97 12.777 14.041 -1.872 1.00 0.00 C ATOM 1420 O VAL A 97 12.813 15.269 -1.970 1.00 0.00 O ATOM 1421 CB VAL A 97 12.341 13.826 -4.414 1.00 0.00 C ATOM 1422 CG1 VAL A 97 13.803 13.913 -4.880 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.550 13.057 -5.485 1.00 0.00 C ATOM 0 H VAL A 97 10.258 13.698 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 97 12.850 12.283 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 97 11.915 14.823 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.843 14.372 -5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.374 14.517 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.230 12.911 -4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.661 13.556 -6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.932 12.039 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.496 13.030 -5.209 1.00 0.00 H new ATOM 1433 N GLN A 98 13.137 13.386 -0.769 1.00 0.00 N ATOM 1434 CA GLN A 98 13.658 14.019 0.442 1.00 0.00 C ATOM 1435 C GLN A 98 15.171 14.247 0.327 1.00 0.00 C ATOM 1436 O GLN A 98 15.801 13.592 -0.505 1.00 0.00 O ATOM 1437 CB GLN A 98 13.344 13.117 1.657 1.00 0.00 C ATOM 1438 CG GLN A 98 13.870 11.681 1.496 1.00 0.00 C ATOM 1439 CD GLN A 98 13.911 10.932 2.821 1.00 0.00 C ATOM 1440 OE1 GLN A 98 13.020 10.149 3.123 1.00 0.00 O ATOM 1441 NE2 GLN A 98 14.964 11.113 3.599 1.00 0.00 N ATOM 0 H GLN A 98 13.072 12.371 -0.691 1.00 0.00 H new ATOM 0 HA GLN A 98 13.181 14.990 0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.781 13.559 2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.265 13.087 1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.235 11.140 0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.871 11.709 1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.693 11.771 3.325 1.00 0.00 H new ATOM 0 HE22 GLN A 98 15.047 10.594 4.473 1.00 0.00 H new ATOM 1450 N PRO A 99 15.780 15.093 1.178 1.00 0.00 N ATOM 1451 CA PRO A 99 17.218 15.086 1.428 1.00 0.00 C ATOM 1452 C PRO A 99 17.623 13.825 2.190 1.00 0.00 C ATOM 1453 O PRO A 99 16.786 12.982 2.519 1.00 0.00 O ATOM 1454 CB PRO A 99 17.472 16.348 2.256 1.00 0.00 C ATOM 1455 CG PRO A 99 16.196 16.461 3.083 1.00 0.00 C ATOM 1456 CD PRO A 99 15.136 16.052 2.068 1.00 0.00 C ATOM 0 HA PRO A 99 17.804 15.082 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 99 18.356 16.249 2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.626 17.223 1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.210 15.800 3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 99 16.038 17.473 3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 99 14.273 15.606 2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.773 16.917 1.513 1.00 0.00 H new ATOM 1464 N GLY A 100 18.919 13.702 2.470 1.00 0.00 N ATOM 1465 CA GLY A 100 19.450 12.647 3.290 1.00 0.00 C ATOM 1466 C GLY A 100 20.104 13.155 4.568 1.00 0.00 C ATOM 1467 O GLY A 100 20.749 14.204 4.574 1.00 0.00 O ATOM 0 H GLY A 100 19.628 14.347 2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.647 11.957 3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.182 12.081 2.714 1.00 0.00 H new ATOM 1471 N LYS A 101 20.006 12.339 5.613 1.00 0.00 N ATOM 1472 CA LYS A 101 20.294 12.679 7.001 1.00 0.00 C ATOM 1473 C LYS A 101 21.777 12.520 7.318 1.00 0.00 C ATOM 1474 O LYS A 101 22.380 11.484 7.018 1.00 0.00 O ATOM 1475 CB LYS A 101 19.470 11.720 7.871 1.00 0.00 C ATOM 1476 CG LYS A 101 19.390 12.084 9.362 1.00 0.00 C ATOM 1477 CD LYS A 101 19.087 10.844 10.218 1.00 0.00 C ATOM 1478 CE LYS A 101 17.727 10.170 9.970 1.00 0.00 C ATOM 1479 NZ LYS A 101 16.626 10.760 10.760 1.00 0.00 N ATOM 0 H LYS A 101 19.707 11.370 5.507 1.00 0.00 H new ATOM 0 HA LYS A 101 20.036 13.721 7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 101 18.457 11.674 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 101 19.894 10.720 7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 101 20.332 12.529 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 101 18.614 12.834 9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 101 19.872 10.108 10.046 1.00 0.00 H new ATOM 0 HD3 LYS A 101 19.143 11.130 11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.482 10.241 8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.807 9.109 10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.780 10.160 10.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.910 10.824 11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.412 11.712 10.400 1.00 0.00 H new ATOM 1493 N THR A 102 22.356 13.495 8.013 1.00 0.00 N ATOM 1494 CA THR A 102 23.553 13.306 8.831 1.00 0.00 C ATOM 1495 C THR A 102 23.426 14.192 10.065 1.00 0.00 C ATOM 1496 O THR A 102 23.864 15.346 10.063 1.00 0.00 O ATOM 1497 CB THR A 102 24.862 13.613 8.084 1.00 0.00 C ATOM 1498 OG1 THR A 102 24.661 14.481 6.983 1.00 0.00 O ATOM 1499 CG2 THR A 102 25.583 12.359 7.589 1.00 0.00 C ATOM 0 H THR A 102 22.003 14.452 8.025 1.00 0.00 H new ATOM 0 HA THR A 102 23.612 12.252 9.104 1.00 0.00 H new ATOM 0 HB THR A 102 25.491 14.104 8.827 1.00 0.00 H new ATOM 0 HG1 THR A 102 25.518 14.650 6.539 1.00 0.00 H new ATOM 0 HG21 THR A 102 26.498 12.646 7.071 1.00 0.00 H new ATOM 0 HG22 THR A 102 25.831 11.723 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 102 24.934 11.813 6.904 1.00 0.00 H new ATOM 1507 N SER A 103 22.825 13.657 11.115 1.00 0.00 N ATOM 1508 CA SER A 103 22.482 14.412 12.304 1.00 0.00 C ATOM 1509 C SER A 103 22.908 13.610 13.542 1.00 0.00 C ATOM 1510 O SER A 103 23.288 12.437 13.412 1.00 0.00 O ATOM 1511 CB SER A 103 20.991 14.750 12.238 1.00 0.00 C ATOM 1512 OG SER A 103 20.633 15.192 10.936 1.00 0.00 O ATOM 0 H SER A 103 22.559 12.673 11.164 1.00 0.00 H new ATOM 0 HA SER A 103 23.013 15.361 12.370 1.00 0.00 H new ATOM 0 HB2 SER A 103 20.402 13.872 12.504 1.00 0.00 H new ATOM 0 HB3 SER A 103 20.756 15.525 12.968 1.00 0.00 H new ATOM 0 HG SER A 103 19.676 15.402 10.913 1.00 0.00 H new ATOM 1518 N ILE A 104 22.923 14.209 14.738 1.00 0.00 N ATOM 1519 CA ILE A 104 23.182 13.472 15.980 1.00 0.00 C ATOM 1520 C ILE A 104 21.823 12.912 16.408 1.00 0.00 C ATOM 1521 O ILE A 104 21.186 13.384 17.351 1.00 0.00 O ATOM 1522 CB ILE A 104 23.915 14.317 17.053 1.00 0.00 C ATOM 1523 CG1 ILE A 104 25.096 15.111 16.443 1.00 0.00 C ATOM 1524 CG2 ILE A 104 24.438 13.358 18.144 1.00 0.00 C ATOM 1525 CD1 ILE A 104 25.900 15.930 17.461 1.00 0.00 C ATOM 0 H ILE A 104 22.758 15.207 14.872 1.00 0.00 H new ATOM 0 HA ILE A 104 23.889 12.656 15.830 1.00 0.00 H new ATOM 0 HB ILE A 104 23.218 15.042 17.474 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.768 14.413 15.944 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.709 15.784 15.678 1.00 0.00 H new ATOM 0 HG21 ILE A 104 24.959 13.930 18.912 1.00 0.00 H new ATOM 0 HG22 ILE A 104 23.599 12.826 18.594 1.00 0.00 H new ATOM 0 HG23 ILE A 104 25.126 12.640 17.698 1.00 0.00 H new ATOM 0 HD11 ILE A 104 26.707 16.454 16.950 1.00 0.00 H new ATOM 0 HD12 ILE A 104 25.245 16.655 17.944 1.00 0.00 H new ATOM 0 HD13 ILE A 104 26.320 15.263 18.214 1.00 0.00 H new ATOM 1537 N ASP A 105 21.363 11.961 15.600 1.00 0.00 N ATOM 1538 CA ASP A 105 20.020 11.409 15.548 1.00 0.00 C ATOM 1539 C ASP A 105 20.037 10.113 16.323 1.00 0.00 C ATOM 1540 O ASP A 105 19.309 9.984 17.323 1.00 0.00 O ATOM 1541 CB ASP A 105 19.659 11.186 14.073 1.00 0.00 C ATOM 1542 CG ASP A 105 18.171 10.949 13.825 1.00 0.00 C ATOM 1543 OD1 ASP A 105 17.364 11.878 14.042 1.00 0.00 O ATOM 1544 OD2 ASP A 105 17.837 9.924 13.189 1.00 0.00 O ATOM 0 H ASP A 105 21.973 11.523 14.910 1.00 0.00 H new ATOM 0 HA ASP A 105 19.275 12.073 15.986 1.00 0.00 H new ATOM 0 HB2 ASP A 105 19.979 12.054 13.496 1.00 0.00 H new ATOM 0 HB3 ASP A 105 20.220 10.330 13.698 1.00 0.00 H new TER 1549 ASP A 105