USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 637 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 37 GLN : amide:sc= -1.06 K(o=-0.84,f=-3.6!) USER MOD Set 1.2: A 51 TYR OH : rot -47:sc= 0.781 USER MOD Set 1.3: A 58 SER OG : rot -106:sc= -0.556 USER MOD Set 2.1: A 13 THR OG1 : rot -75:sc= 0.83 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0.108 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.0389 K(o=-0.039,f=-1.6!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -140:sc= -0.375 (180deg=-2.72!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.627 X(o=-0.63,f=-0.63) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.729 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.158 F(o=-0.93,f=-0.16) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.0561 F(o=-1.1,f=-0.056) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.21 F(o=-2,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00881) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.0319 F(o=-0.7,f=-0.032) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.22 F(o=-2.2,f=-1.2) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.297 K(o=-0.3,f=-3.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc=0.000626 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0296 USER MOD Single : A 78 SER OG : rot 180:sc= -0.692 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.174 -1.651 -2.893 1.00 73.54 N ATOM 2 CA GLY A 1 -10.948 -1.506 -2.132 1.00 4.22 C ATOM 3 C GLY A 1 -9.728 -1.974 -2.901 1.00 74.12 C ATOM 4 O GLY A 1 -8.743 -1.246 -3.018 1.00 63.24 O ATOM 0 H1 GLY A 1 -12.978 -1.317 -2.323 1.00 73.54 H new ATOM 0 H2 GLY A 1 -12.110 -1.088 -3.765 1.00 73.54 H new ATOM 0 H3 GLY A 1 -12.315 -2.652 -3.137 1.00 73.54 H new ATOM 0 HA2 GLY A 1 -10.819 -0.460 -1.854 1.00 4.22 H new ATOM 0 HA3 GLY A 1 -11.030 -2.075 -1.206 1.00 4.22 H new ATOM 8 N SER A 2 -9.794 -3.194 -3.426 1.00 10.42 N ATOM 9 CA SER A 2 -8.685 -3.761 -4.183 1.00 45.53 C ATOM 10 C SER A 2 -8.443 -2.971 -5.466 1.00 4.41 C ATOM 11 O SER A 2 -9.143 -2.001 -5.752 1.00 11.43 O ATOM 12 CB SER A 2 -8.965 -5.227 -4.519 1.00 41.41 C ATOM 13 OG SER A 2 -8.836 -6.046 -3.370 1.00 71.55 O ATOM 0 H SER A 2 -10.604 -3.808 -3.341 1.00 10.42 H new ATOM 0 HA SER A 2 -7.789 -3.702 -3.566 1.00 45.53 H new ATOM 0 HB2 SER A 2 -9.971 -5.324 -4.928 1.00 41.41 H new ATOM 0 HB3 SER A 2 -8.273 -5.565 -5.290 1.00 41.41 H new ATOM 0 HG SER A 2 -9.021 -6.978 -3.610 1.00 71.55 H new ATOM 19 N ASN A 3 -7.445 -3.394 -6.235 1.00 22.10 N ATOM 20 CA ASN A 3 -7.109 -2.727 -7.487 1.00 43.34 C ATOM 21 C ASN A 3 -7.199 -3.697 -8.662 1.00 5.52 C ATOM 22 O ASN A 3 -7.972 -3.485 -9.595 1.00 63.44 O ATOM 23 CB ASN A 3 -5.702 -2.131 -7.410 1.00 43.42 C ATOM 24 CG ASN A 3 -5.472 -1.054 -8.453 1.00 11.41 C ATOM 25 OD1 ASN A 3 -6.419 -0.446 -8.953 1.00 20.03 O ATOM 26 ND2 ASN A 3 -4.209 -0.812 -8.786 1.00 74.50 N ATOM 0 H ASN A 3 -6.855 -4.196 -6.013 1.00 22.10 H new ATOM 0 HA ASN A 3 -7.828 -1.924 -7.646 1.00 43.34 H new ATOM 0 HB2 ASN A 3 -5.542 -1.711 -6.417 1.00 43.42 H new ATOM 0 HB3 ASN A 3 -4.967 -2.924 -7.543 1.00 43.42 H new ATOM 0 HD21 ASN A 3 -3.993 -0.098 -9.482 1.00 74.50 H new ATOM 0 HD22 ASN A 3 -3.455 -1.340 -8.346 1.00 74.50 H new ATOM 33 N GLU A 4 -6.403 -4.760 -8.606 1.00 44.14 N ATOM 34 CA GLU A 4 -6.393 -5.762 -9.666 1.00 3.22 C ATOM 35 C GLU A 4 -7.646 -6.630 -9.606 1.00 13.25 C ATOM 36 O GLU A 4 -8.307 -6.716 -8.570 1.00 51.42 O ATOM 37 CB GLU A 4 -5.145 -6.640 -9.556 1.00 21.55 C ATOM 38 CG GLU A 4 -4.709 -7.247 -10.879 1.00 22.14 C ATOM 39 CD GLU A 4 -3.560 -8.224 -10.722 1.00 4.01 C ATOM 40 OE1 GLU A 4 -2.617 -7.913 -9.964 1.00 45.15 O ATOM 41 OE2 GLU A 4 -3.603 -9.299 -11.356 1.00 40.42 O ATOM 0 H GLU A 4 -5.758 -4.950 -7.839 1.00 44.14 H new ATOM 0 HA GLU A 4 -6.379 -5.241 -10.623 1.00 3.22 H new ATOM 0 HB2 GLU A 4 -4.326 -6.044 -9.152 1.00 21.55 H new ATOM 0 HB3 GLU A 4 -5.337 -7.442 -8.844 1.00 21.55 H new ATOM 0 HG2 GLU A 4 -5.556 -7.758 -11.336 1.00 22.14 H new ATOM 0 HG3 GLU A 4 -4.412 -6.449 -11.560 1.00 22.14 H new ATOM 48 N LYS A 5 -7.968 -7.272 -10.723 1.00 54.23 N ATOM 49 CA LYS A 5 -9.142 -8.134 -10.800 1.00 24.21 C ATOM 50 C LYS A 5 -8.734 -9.601 -10.888 1.00 24.32 C ATOM 51 O LYS A 5 -8.426 -10.122 -11.960 1.00 44.33 O ATOM 52 CB LYS A 5 -9.998 -7.759 -12.011 1.00 40.54 C ATOM 53 CG LYS A 5 -11.011 -6.664 -11.724 1.00 72.01 C ATOM 54 CD LYS A 5 -10.360 -5.291 -11.711 1.00 74.12 C ATOM 55 CE LYS A 5 -9.900 -4.879 -13.101 1.00 61.42 C ATOM 56 NZ LYS A 5 -9.887 -3.399 -13.265 1.00 60.45 N ATOM 0 H LYS A 5 -7.432 -7.212 -11.589 1.00 54.23 H new ATOM 0 HA LYS A 5 -9.727 -7.991 -9.891 1.00 24.21 H new ATOM 0 HB2 LYS A 5 -9.345 -7.435 -12.821 1.00 40.54 H new ATOM 0 HB3 LYS A 5 -10.524 -8.646 -12.362 1.00 40.54 H new ATOM 0 HG2 LYS A 5 -11.797 -6.688 -12.479 1.00 72.01 H new ATOM 0 HG3 LYS A 5 -11.487 -6.851 -10.762 1.00 72.01 H new ATOM 0 HD2 LYS A 5 -11.067 -4.555 -11.328 1.00 74.12 H new ATOM 0 HD3 LYS A 5 -9.508 -5.298 -11.032 1.00 74.12 H new ATOM 0 HE2 LYS A 5 -8.901 -5.273 -13.285 1.00 61.42 H new ATOM 0 HE3 LYS A 5 -10.559 -5.321 -13.848 1.00 61.42 H new ATOM 0 HZ1 LYS A 5 -9.568 -3.159 -14.225 1.00 60.45 H new ATOM 0 HZ2 LYS A 5 -10.846 -3.025 -13.115 1.00 60.45 H new ATOM 0 HZ3 LYS A 5 -9.238 -2.978 -12.569 1.00 60.45 H new ATOM 70 N PRO A 6 -8.732 -10.286 -9.735 1.00 30.15 N ATOM 71 CA PRO A 6 -8.366 -11.703 -9.656 1.00 21.41 C ATOM 72 C PRO A 6 -9.408 -12.608 -10.305 1.00 63.11 C ATOM 73 O PRO A 6 -10.505 -12.165 -10.646 1.00 45.40 O ATOM 74 CB PRO A 6 -8.292 -11.968 -8.150 1.00 51.30 C ATOM 75 CG PRO A 6 -9.191 -10.947 -7.542 1.00 21.12 C ATOM 76 CD PRO A 6 -9.088 -9.730 -8.418 1.00 50.34 C ATOM 0 HA PRO A 6 -7.437 -11.913 -10.186 1.00 21.41 H new ATOM 0 HB2 PRO A 6 -8.621 -12.979 -7.909 1.00 51.30 H new ATOM 0 HB3 PRO A 6 -7.272 -11.868 -7.780 1.00 51.30 H new ATOM 0 HG2 PRO A 6 -10.218 -11.309 -7.496 1.00 21.12 H new ATOM 0 HG3 PRO A 6 -8.888 -10.719 -6.520 1.00 21.12 H new ATOM 0 HD2 PRO A 6 -10.029 -9.181 -8.455 1.00 50.34 H new ATOM 0 HD3 PRO A 6 -8.328 -9.037 -8.056 1.00 50.34 H new ATOM 84 N LYS A 7 -9.058 -13.879 -10.473 1.00 54.04 N ATOM 85 CA LYS A 7 -9.963 -14.848 -11.080 1.00 55.22 C ATOM 86 C LYS A 7 -9.840 -16.208 -10.401 1.00 4.22 C ATOM 87 O LYS A 7 -8.789 -16.847 -10.456 1.00 70.20 O ATOM 88 CB LYS A 7 -9.669 -14.984 -12.576 1.00 33.32 C ATOM 89 CG LYS A 7 -9.604 -13.654 -13.307 1.00 20.43 C ATOM 90 CD LYS A 7 -9.139 -13.830 -14.743 1.00 11.43 C ATOM 91 CE LYS A 7 -9.307 -12.547 -15.543 1.00 62.12 C ATOM 92 NZ LYS A 7 -10.720 -12.337 -15.964 1.00 3.53 N ATOM 0 H LYS A 7 -8.154 -14.262 -10.197 1.00 54.04 H new ATOM 0 HA LYS A 7 -10.983 -14.487 -10.948 1.00 55.22 H new ATOM 0 HB2 LYS A 7 -8.721 -15.507 -12.705 1.00 33.32 H new ATOM 0 HB3 LYS A 7 -10.440 -15.604 -13.034 1.00 33.32 H new ATOM 0 HG2 LYS A 7 -10.587 -13.184 -13.297 1.00 20.43 H new ATOM 0 HG3 LYS A 7 -8.924 -12.982 -12.783 1.00 20.43 H new ATOM 0 HD2 LYS A 7 -8.092 -14.132 -14.753 1.00 11.43 H new ATOM 0 HD3 LYS A 7 -9.707 -14.632 -15.215 1.00 11.43 H new ATOM 0 HE2 LYS A 7 -8.977 -11.699 -14.943 1.00 62.12 H new ATOM 0 HE3 LYS A 7 -8.667 -12.582 -16.424 1.00 62.12 H new ATOM 0 HZ1 LYS A 7 -10.793 -11.453 -16.506 1.00 3.53 H new ATOM 0 HZ2 LYS A 7 -11.027 -13.134 -16.558 1.00 3.53 H new ATOM 0 HZ3 LYS A 7 -11.328 -12.278 -15.122 1.00 3.53 H new ATOM 106 N VAL A 8 -10.920 -16.645 -9.761 1.00 63.42 N ATOM 107 CA VAL A 8 -10.933 -17.931 -9.073 1.00 45.14 C ATOM 108 C VAL A 8 -12.273 -18.635 -9.249 1.00 53.12 C ATOM 109 O VAL A 8 -13.317 -17.990 -9.349 1.00 75.24 O ATOM 110 CB VAL A 8 -10.645 -17.766 -7.569 1.00 52.43 C ATOM 111 CG1 VAL A 8 -10.447 -19.122 -6.911 1.00 70.50 C ATOM 112 CG2 VAL A 8 -9.430 -16.877 -7.354 1.00 45.21 C ATOM 0 H VAL A 8 -11.797 -16.128 -9.705 1.00 63.42 H new ATOM 0 HA VAL A 8 -10.146 -18.538 -9.521 1.00 45.14 H new ATOM 0 HB VAL A 8 -11.505 -17.286 -7.103 1.00 52.43 H new ATOM 0 HG11 VAL A 8 -10.245 -18.985 -5.849 1.00 70.50 H new ATOM 0 HG12 VAL A 8 -11.349 -19.721 -7.034 1.00 70.50 H new ATOM 0 HG13 VAL A 8 -9.605 -19.633 -7.378 1.00 70.50 H new ATOM 0 HG21 VAL A 8 -9.241 -16.771 -6.286 1.00 45.21 H new ATOM 0 HG22 VAL A 8 -8.561 -17.327 -7.834 1.00 45.21 H new ATOM 0 HG23 VAL A 8 -9.616 -15.895 -7.788 1.00 45.21 H new ATOM 122 N LYS A 9 -12.238 -19.963 -9.285 1.00 41.44 N ATOM 123 CA LYS A 9 -13.450 -20.757 -9.447 1.00 50.32 C ATOM 124 C LYS A 9 -14.479 -20.402 -8.379 1.00 32.44 C ATOM 125 O LYS A 9 -15.685 -20.490 -8.610 1.00 33.42 O ATOM 126 CB LYS A 9 -13.120 -22.249 -9.377 1.00 63.32 C ATOM 127 CG LYS A 9 -12.004 -22.670 -10.318 1.00 71.12 C ATOM 128 CD LYS A 9 -11.757 -24.168 -10.255 1.00 64.00 C ATOM 129 CE LYS A 9 -12.873 -24.946 -10.935 1.00 24.42 C ATOM 130 NZ LYS A 9 -13.048 -26.300 -10.338 1.00 52.51 N ATOM 0 H LYS A 9 -11.382 -20.512 -9.204 1.00 41.44 H new ATOM 0 HA LYS A 9 -13.875 -20.531 -10.425 1.00 50.32 H new ATOM 0 HB2 LYS A 9 -12.837 -22.502 -8.355 1.00 63.32 H new ATOM 0 HB3 LYS A 9 -14.017 -22.822 -9.611 1.00 63.32 H new ATOM 0 HG2 LYS A 9 -12.260 -22.385 -11.338 1.00 71.12 H new ATOM 0 HG3 LYS A 9 -11.088 -22.138 -10.059 1.00 71.12 H new ATOM 0 HD2 LYS A 9 -10.806 -24.401 -10.733 1.00 64.00 H new ATOM 0 HD3 LYS A 9 -11.676 -24.481 -9.214 1.00 64.00 H new ATOM 0 HE2 LYS A 9 -13.806 -24.389 -10.853 1.00 24.42 H new ATOM 0 HE3 LYS A 9 -12.653 -25.043 -11.998 1.00 24.42 H new ATOM 0 HZ1 LYS A 9 -13.232 -26.991 -11.093 1.00 52.51 H new ATOM 0 HZ2 LYS A 9 -12.183 -26.568 -9.826 1.00 52.51 H new ATOM 0 HZ3 LYS A 9 -13.851 -26.287 -9.677 1.00 52.51 H new ATOM 144 N LYS A 10 -13.996 -20.000 -7.208 1.00 63.12 N ATOM 145 CA LYS A 10 -14.873 -19.629 -6.104 1.00 62.40 C ATOM 146 C LYS A 10 -15.161 -18.132 -6.117 1.00 40.54 C ATOM 147 O LYS A 10 -16.087 -17.661 -5.456 1.00 75.52 O ATOM 148 CB LYS A 10 -14.241 -20.026 -4.768 1.00 44.00 C ATOM 149 CG LYS A 10 -14.478 -21.478 -4.390 1.00 13.32 C ATOM 150 CD LYS A 10 -13.377 -22.380 -4.921 1.00 51.10 C ATOM 151 CE LYS A 10 -12.149 -22.348 -4.024 1.00 34.53 C ATOM 152 NZ LYS A 10 -12.306 -23.236 -2.838 1.00 50.11 N ATOM 0 H LYS A 10 -13.001 -19.923 -6.999 1.00 63.12 H new ATOM 0 HA LYS A 10 -15.815 -20.163 -6.226 1.00 62.40 H new ATOM 0 HB2 LYS A 10 -13.168 -19.842 -4.815 1.00 44.00 H new ATOM 0 HB3 LYS A 10 -14.640 -19.385 -3.982 1.00 44.00 H new ATOM 0 HG2 LYS A 10 -14.532 -21.568 -3.305 1.00 13.32 H new ATOM 0 HG3 LYS A 10 -15.440 -21.805 -4.785 1.00 13.32 H new ATOM 0 HD2 LYS A 10 -13.747 -23.402 -4.996 1.00 51.10 H new ATOM 0 HD3 LYS A 10 -13.102 -22.066 -5.928 1.00 51.10 H new ATOM 0 HE2 LYS A 10 -11.274 -22.656 -4.595 1.00 34.53 H new ATOM 0 HE3 LYS A 10 -11.969 -21.326 -3.691 1.00 34.53 H new ATOM 0 HZ1 LYS A 10 -11.449 -23.187 -2.251 1.00 50.11 H new ATOM 0 HZ2 LYS A 10 -13.126 -22.926 -2.279 1.00 50.11 H new ATOM 0 HZ3 LYS A 10 -12.453 -24.216 -3.155 1.00 50.11 H new ATOM 166 N HIS A 11 -14.363 -17.387 -6.875 1.00 45.53 N ATOM 167 CA HIS A 11 -14.534 -15.942 -6.976 1.00 43.52 C ATOM 168 C HIS A 11 -15.546 -15.589 -8.061 1.00 54.14 C ATOM 169 O HIS A 11 -16.350 -14.671 -7.899 1.00 14.55 O ATOM 170 CB HIS A 11 -13.194 -15.268 -7.274 1.00 10.40 C ATOM 171 CG HIS A 11 -12.344 -15.062 -6.058 1.00 64.04 C ATOM 172 ND1 HIS A 11 -11.339 -14.119 -5.993 1.00 35.20 N ATOM 173 CD2 HIS A 11 -12.353 -15.683 -4.856 1.00 32.22 C ATOM 174 CE1 HIS A 11 -10.767 -14.171 -4.803 1.00 51.45 C ATOM 175 NE2 HIS A 11 -11.364 -15.111 -4.094 1.00 71.31 N ATOM 0 H HIS A 11 -13.592 -17.760 -7.428 1.00 45.53 H new ATOM 0 HA HIS A 11 -14.911 -15.578 -6.020 1.00 43.52 H new ATOM 0 HB2 HIS A 11 -12.644 -15.874 -7.993 1.00 10.40 H new ATOM 0 HB3 HIS A 11 -13.379 -14.303 -7.746 1.00 10.40 H new ATOM 0 HD2 HIS A 11 -13.015 -16.480 -4.552 1.00 32.22 H new ATOM 0 HE1 HIS A 11 -9.950 -13.550 -4.467 1.00 51.45 H new ATOM 0 HE2 HIS A 11 -11.129 -15.370 -3.136 1.00 71.31 H new ATOM 184 N ILE A 12 -15.501 -16.323 -9.168 1.00 23.43 N ATOM 185 CA ILE A 12 -16.414 -16.088 -10.279 1.00 13.22 C ATOM 186 C ILE A 12 -17.867 -16.143 -9.817 1.00 63.24 C ATOM 187 O ILE A 12 -18.743 -15.511 -10.409 1.00 22.22 O ATOM 188 CB ILE A 12 -16.206 -17.116 -11.406 1.00 51.25 C ATOM 189 CG1 ILE A 12 -17.093 -16.776 -12.606 1.00 41.12 C ATOM 190 CG2 ILE A 12 -16.502 -18.521 -10.904 1.00 2.14 C ATOM 191 CD1 ILE A 12 -18.416 -17.510 -12.607 1.00 3.51 C ATOM 0 H ILE A 12 -14.841 -17.086 -9.319 1.00 23.43 H new ATOM 0 HA ILE A 12 -16.194 -15.092 -10.663 1.00 13.22 H new ATOM 0 HB ILE A 12 -15.164 -17.077 -11.724 1.00 51.25 H new ATOM 0 HG12 ILE A 12 -17.282 -15.703 -12.615 1.00 41.12 H new ATOM 0 HG13 ILE A 12 -16.555 -17.013 -13.524 1.00 41.12 H new ATOM 0 HG21 ILE A 12 -16.350 -19.236 -11.713 1.00 2.14 H new ATOM 0 HG22 ILE A 12 -15.833 -18.761 -10.078 1.00 2.14 H new ATOM 0 HG23 ILE A 12 -17.535 -18.575 -10.561 1.00 2.14 H new ATOM 0 HD11 ILE A 12 -18.992 -17.220 -13.486 1.00 3.51 H new ATOM 0 HD12 ILE A 12 -18.236 -18.585 -12.629 1.00 3.51 H new ATOM 0 HD13 ILE A 12 -18.975 -17.254 -11.707 1.00 3.51 H new ATOM 203 N THR A 13 -18.116 -16.903 -8.755 1.00 51.21 N ATOM 204 CA THR A 13 -19.462 -17.041 -8.213 1.00 42.40 C ATOM 205 C THR A 13 -19.978 -15.710 -7.678 1.00 0.12 C ATOM 206 O THR A 13 -21.023 -15.221 -8.107 1.00 1.31 O ATOM 207 CB THR A 13 -19.508 -18.088 -7.084 1.00 53.32 C ATOM 208 OG1 THR A 13 -18.622 -17.707 -6.026 1.00 0.10 O ATOM 209 CG2 THR A 13 -19.122 -19.463 -7.606 1.00 24.40 C ATOM 0 H THR A 13 -17.403 -17.432 -8.253 1.00 51.21 H new ATOM 0 HA THR A 13 -20.100 -17.372 -9.032 1.00 42.40 H new ATOM 0 HB THR A 13 -20.528 -18.135 -6.703 1.00 53.32 H new ATOM 0 HG1 THR A 13 -17.696 -17.878 -6.297 1.00 0.10 H new ATOM 0 HG21 THR A 13 -19.162 -20.186 -6.791 1.00 24.40 H new ATOM 0 HG22 THR A 13 -19.817 -19.762 -8.391 1.00 24.40 H new ATOM 0 HG23 THR A 13 -18.111 -19.428 -8.011 1.00 24.40 H new ATOM 217 N SER A 14 -19.239 -15.128 -6.739 1.00 23.23 N ATOM 218 CA SER A 14 -19.624 -13.854 -6.142 1.00 60.55 C ATOM 219 C SER A 14 -19.449 -12.713 -7.139 1.00 40.14 C ATOM 220 O SER A 14 -20.241 -11.771 -7.167 1.00 22.42 O ATOM 221 CB SER A 14 -18.792 -13.582 -4.887 1.00 75.54 C ATOM 222 OG SER A 14 -17.533 -14.229 -4.960 1.00 14.32 O ATOM 0 H SER A 14 -18.370 -15.518 -6.375 1.00 23.23 H new ATOM 0 HA SER A 14 -20.677 -13.914 -5.865 1.00 60.55 H new ATOM 0 HB2 SER A 14 -18.646 -12.508 -4.769 1.00 75.54 H new ATOM 0 HB3 SER A 14 -19.332 -13.929 -4.006 1.00 75.54 H new ATOM 0 HG SER A 14 -17.020 -14.038 -4.147 1.00 14.32 H new ATOM 228 N ALA A 15 -18.405 -12.805 -7.957 1.00 54.22 N ATOM 229 CA ALA A 15 -18.126 -11.782 -8.957 1.00 53.14 C ATOM 230 C ALA A 15 -19.305 -11.608 -9.909 1.00 32.40 C ATOM 231 O ALA A 15 -19.772 -10.492 -10.139 1.00 45.21 O ATOM 232 CB ALA A 15 -16.866 -12.133 -9.734 1.00 60.11 C ATOM 0 H ALA A 15 -17.739 -13.577 -7.946 1.00 54.22 H new ATOM 0 HA ALA A 15 -17.969 -10.836 -8.438 1.00 53.14 H new ATOM 0 HB1 ALA A 15 -16.670 -11.360 -10.477 1.00 60.11 H new ATOM 0 HB2 ALA A 15 -16.022 -12.199 -9.048 1.00 60.11 H new ATOM 0 HB3 ALA A 15 -17.002 -13.092 -10.235 1.00 60.11 H new ATOM 238 N LEU A 16 -19.783 -12.719 -10.460 1.00 42.31 N ATOM 239 CA LEU A 16 -20.908 -12.689 -11.388 1.00 60.42 C ATOM 240 C LEU A 16 -22.082 -11.916 -10.797 1.00 1.14 C ATOM 241 O LEU A 16 -22.710 -11.104 -11.476 1.00 12.21 O ATOM 242 CB LEU A 16 -21.344 -14.114 -11.736 1.00 55.45 C ATOM 243 CG LEU A 16 -21.068 -14.569 -13.170 1.00 1.22 C ATOM 244 CD1 LEU A 16 -19.591 -14.420 -13.501 1.00 71.44 C ATOM 245 CD2 LEU A 16 -21.519 -16.008 -13.369 1.00 20.55 C ATOM 0 H LEU A 16 -19.409 -13.651 -10.280 1.00 42.31 H new ATOM 0 HA LEU A 16 -20.584 -12.181 -12.297 1.00 60.42 H new ATOM 0 HB2 LEU A 16 -20.843 -14.802 -11.055 1.00 55.45 H new ATOM 0 HB3 LEU A 16 -22.414 -14.201 -11.548 1.00 55.45 H new ATOM 0 HG LEU A 16 -21.638 -13.934 -13.849 1.00 1.22 H new ATOM 0 HD11 LEU A 16 -19.413 -14.748 -14.525 1.00 71.44 H new ATOM 0 HD12 LEU A 16 -19.299 -13.375 -13.399 1.00 71.44 H new ATOM 0 HD13 LEU A 16 -19.001 -15.030 -12.817 1.00 71.44 H new ATOM 0 HD21 LEU A 16 -21.315 -16.315 -14.395 1.00 20.55 H new ATOM 0 HD22 LEU A 16 -20.977 -16.657 -12.681 1.00 20.55 H new ATOM 0 HD23 LEU A 16 -22.589 -16.084 -13.173 1.00 20.55 H new ATOM 257 N LYS A 17 -22.372 -12.172 -9.525 1.00 43.33 N ATOM 258 CA LYS A 17 -23.468 -11.498 -8.839 1.00 43.33 C ATOM 259 C LYS A 17 -23.314 -9.983 -8.926 1.00 1.42 C ATOM 260 O LYS A 17 -24.301 -9.251 -9.006 1.00 71.34 O ATOM 261 CB LYS A 17 -23.523 -11.932 -7.373 1.00 70.41 C ATOM 262 CG LYS A 17 -23.615 -13.437 -7.188 1.00 30.11 C ATOM 263 CD LYS A 17 -24.940 -13.842 -6.564 1.00 72.34 C ATOM 264 CE LYS A 17 -24.765 -14.278 -5.118 1.00 34.03 C ATOM 265 NZ LYS A 17 -26.046 -14.752 -4.523 1.00 4.35 N ATOM 0 H LYS A 17 -21.863 -12.842 -8.949 1.00 43.33 H new ATOM 0 HA LYS A 17 -24.399 -11.780 -9.330 1.00 43.33 H new ATOM 0 HB2 LYS A 17 -22.634 -11.565 -6.860 1.00 70.41 H new ATOM 0 HB3 LYS A 17 -24.383 -11.462 -6.896 1.00 70.41 H new ATOM 0 HG2 LYS A 17 -23.500 -13.931 -8.153 1.00 30.11 H new ATOM 0 HG3 LYS A 17 -22.795 -13.778 -6.556 1.00 30.11 H new ATOM 0 HD2 LYS A 17 -25.636 -13.005 -6.611 1.00 72.34 H new ATOM 0 HD3 LYS A 17 -25.381 -14.656 -7.140 1.00 72.34 H new ATOM 0 HE2 LYS A 17 -24.023 -15.075 -5.066 1.00 34.03 H new ATOM 0 HE3 LYS A 17 -24.378 -13.445 -4.531 1.00 34.03 H new ATOM 0 HZ1 LYS A 17 -25.885 -15.040 -3.537 1.00 4.35 H new ATOM 0 HZ2 LYS A 17 -26.746 -13.984 -4.549 1.00 4.35 H new ATOM 0 HZ3 LYS A 17 -26.402 -15.564 -5.067 1.00 4.35 H new ATOM 279 N LYS A 18 -22.070 -9.517 -8.910 1.00 45.10 N ATOM 280 CA LYS A 18 -21.785 -8.089 -8.989 1.00 73.05 C ATOM 281 C LYS A 18 -21.905 -7.590 -10.426 1.00 2.42 C ATOM 282 O LYS A 18 -22.335 -6.461 -10.668 1.00 31.13 O ATOM 283 CB LYS A 18 -20.383 -7.797 -8.452 1.00 2.54 C ATOM 284 CG LYS A 18 -20.272 -7.921 -6.942 1.00 12.01 C ATOM 285 CD LYS A 18 -18.853 -7.664 -6.464 1.00 10.24 C ATOM 286 CE LYS A 18 -18.526 -6.178 -6.461 1.00 34.31 C ATOM 287 NZ LYS A 18 -18.853 -5.541 -5.155 1.00 63.01 N ATOM 0 H LYS A 18 -21.242 -10.108 -8.843 1.00 45.10 H new ATOM 0 HA LYS A 18 -22.518 -7.563 -8.377 1.00 73.05 H new ATOM 0 HB2 LYS A 18 -19.675 -8.482 -8.917 1.00 2.54 H new ATOM 0 HB3 LYS A 18 -20.092 -6.789 -8.748 1.00 2.54 H new ATOM 0 HG2 LYS A 18 -20.951 -7.213 -6.467 1.00 12.01 H new ATOM 0 HG3 LYS A 18 -20.586 -8.918 -6.634 1.00 12.01 H new ATOM 0 HD2 LYS A 18 -18.728 -8.067 -5.459 1.00 10.24 H new ATOM 0 HD3 LYS A 18 -18.150 -8.191 -7.109 1.00 10.24 H new ATOM 0 HE2 LYS A 18 -17.467 -6.039 -6.678 1.00 34.31 H new ATOM 0 HE3 LYS A 18 -19.082 -5.682 -7.256 1.00 34.31 H new ATOM 0 HZ1 LYS A 18 -18.616 -4.529 -5.193 1.00 63.01 H new ATOM 0 HZ2 LYS A 18 -19.868 -5.652 -4.959 1.00 63.01 H new ATOM 0 HZ3 LYS A 18 -18.303 -5.997 -4.399 1.00 63.01 H new ATOM 301 N LEU A 19 -21.523 -8.436 -11.375 1.00 61.54 N ATOM 302 CA LEU A 19 -21.589 -8.081 -12.789 1.00 22.52 C ATOM 303 C LEU A 19 -23.022 -7.764 -13.204 1.00 43.32 C ATOM 304 O LEU A 19 -23.296 -6.702 -13.764 1.00 60.35 O ATOM 305 CB LEU A 19 -21.038 -9.221 -13.647 1.00 63.24 C ATOM 306 CG LEU A 19 -19.546 -9.152 -13.978 1.00 55.22 C ATOM 307 CD1 LEU A 19 -19.011 -10.533 -14.322 1.00 71.02 C ATOM 308 CD2 LEU A 19 -19.299 -8.181 -15.124 1.00 21.32 C ATOM 0 H LEU A 19 -21.164 -9.373 -11.192 1.00 61.54 H new ATOM 0 HA LEU A 19 -20.980 -7.190 -12.944 1.00 22.52 H new ATOM 0 HB2 LEU A 19 -21.232 -10.162 -13.133 1.00 63.24 H new ATOM 0 HB3 LEU A 19 -21.596 -9.247 -14.583 1.00 63.24 H new ATOM 0 HG LEU A 19 -19.014 -8.788 -13.099 1.00 55.22 H new ATOM 0 HD11 LEU A 19 -17.948 -10.464 -14.555 1.00 71.02 H new ATOM 0 HD12 LEU A 19 -19.154 -11.201 -13.472 1.00 71.02 H new ATOM 0 HD13 LEU A 19 -19.547 -10.926 -15.186 1.00 71.02 H new ATOM 0 HD21 LEU A 19 -18.233 -8.144 -15.346 1.00 21.32 H new ATOM 0 HD22 LEU A 19 -19.843 -8.515 -16.008 1.00 21.32 H new ATOM 0 HD23 LEU A 19 -19.645 -7.187 -14.840 1.00 21.32 H new ATOM 320 N VAL A 20 -23.933 -8.690 -12.924 1.00 0.12 N ATOM 321 CA VAL A 20 -25.339 -8.507 -13.265 1.00 63.41 C ATOM 322 C VAL A 20 -25.887 -7.217 -12.666 1.00 44.01 C ATOM 323 O VAL A 20 -26.792 -6.597 -13.224 1.00 45.54 O ATOM 324 CB VAL A 20 -26.194 -9.691 -12.775 1.00 65.32 C ATOM 325 CG1 VAL A 20 -26.095 -9.832 -11.264 1.00 24.31 C ATOM 326 CG2 VAL A 20 -27.641 -9.518 -13.209 1.00 72.23 C ATOM 0 H VAL A 20 -23.723 -9.575 -12.462 1.00 0.12 H new ATOM 0 HA VAL A 20 -25.396 -8.452 -14.352 1.00 63.41 H new ATOM 0 HB VAL A 20 -25.810 -10.606 -13.227 1.00 65.32 H new ATOM 0 HG11 VAL A 20 -26.705 -10.673 -10.936 1.00 24.31 H new ATOM 0 HG12 VAL A 20 -25.057 -10.006 -10.982 1.00 24.31 H new ATOM 0 HG13 VAL A 20 -26.452 -8.918 -10.789 1.00 24.31 H new ATOM 0 HG21 VAL A 20 -28.231 -10.363 -12.854 1.00 72.23 H new ATOM 0 HG22 VAL A 20 -28.039 -8.595 -12.787 1.00 72.23 H new ATOM 0 HG23 VAL A 20 -27.691 -9.471 -14.297 1.00 72.23 H new ATOM 336 N ASP A 21 -25.332 -6.818 -11.527 1.00 20.12 N ATOM 337 CA ASP A 21 -25.764 -5.600 -10.852 1.00 3.24 C ATOM 338 C ASP A 21 -25.133 -4.369 -11.496 1.00 32.03 C ATOM 339 O ASP A 21 -25.784 -3.336 -11.654 1.00 44.34 O ATOM 340 CB ASP A 21 -25.399 -5.657 -9.367 1.00 73.23 C ATOM 341 CG ASP A 21 -26.116 -4.598 -8.554 1.00 14.04 C ATOM 342 OD1 ASP A 21 -26.669 -3.657 -9.161 1.00 23.02 O ATOM 343 OD2 ASP A 21 -26.125 -4.709 -7.310 1.00 23.54 O ATOM 0 H ASP A 21 -24.582 -7.320 -11.052 1.00 20.12 H new ATOM 0 HA ASP A 21 -26.847 -5.525 -10.950 1.00 3.24 H new ATOM 0 HB2 ASP A 21 -25.646 -6.643 -8.973 1.00 73.23 H new ATOM 0 HB3 ASP A 21 -24.322 -5.530 -9.255 1.00 73.23 H new ATOM 348 N LYS A 22 -23.862 -4.486 -11.864 1.00 70.23 N ATOM 349 CA LYS A 22 -23.142 -3.384 -12.491 1.00 70.23 C ATOM 350 C LYS A 22 -23.454 -3.309 -13.983 1.00 22.24 C ATOM 351 O LYS A 22 -22.940 -2.443 -14.691 1.00 72.12 O ATOM 352 CB LYS A 22 -21.635 -3.548 -12.282 1.00 41.12 C ATOM 353 CG LYS A 22 -21.211 -3.473 -10.825 1.00 74.24 C ATOM 354 CD LYS A 22 -21.659 -2.172 -10.181 1.00 21.14 C ATOM 355 CE LYS A 22 -20.713 -1.747 -9.068 1.00 62.20 C ATOM 356 NZ LYS A 22 -19.795 -0.659 -9.506 1.00 32.14 N ATOM 0 H LYS A 22 -23.309 -5.334 -11.739 1.00 70.23 H new ATOM 0 HA LYS A 22 -23.469 -2.456 -12.022 1.00 70.23 H new ATOM 0 HB2 LYS A 22 -21.322 -4.507 -12.694 1.00 41.12 H new ATOM 0 HB3 LYS A 22 -21.112 -2.774 -12.844 1.00 41.12 H new ATOM 0 HG2 LYS A 22 -21.634 -4.316 -10.278 1.00 74.24 H new ATOM 0 HG3 LYS A 22 -20.127 -3.560 -10.756 1.00 74.24 H new ATOM 0 HD2 LYS A 22 -21.708 -1.388 -10.937 1.00 21.14 H new ATOM 0 HD3 LYS A 22 -22.665 -2.291 -9.779 1.00 21.14 H new ATOM 0 HE2 LYS A 22 -21.292 -1.410 -8.208 1.00 62.20 H new ATOM 0 HE3 LYS A 22 -20.128 -2.606 -8.741 1.00 62.20 H new ATOM 0 HZ1 LYS A 22 -19.167 -0.398 -8.720 1.00 32.14 H new ATOM 0 HZ2 LYS A 22 -19.224 -0.989 -10.310 1.00 32.14 H new ATOM 0 HZ3 LYS A 22 -20.352 0.170 -9.794 1.00 32.14 H new ATOM 370 N TYR A 23 -24.299 -4.220 -14.452 1.00 64.41 N ATOM 371 CA TYR A 23 -24.678 -4.258 -15.860 1.00 1.35 C ATOM 372 C TYR A 23 -25.193 -2.898 -16.321 1.00 44.32 C ATOM 373 O TYR A 23 -24.833 -2.418 -17.396 1.00 42.33 O ATOM 374 CB TYR A 23 -25.747 -5.326 -16.093 1.00 71.31 C ATOM 375 CG TYR A 23 -26.039 -5.582 -17.555 1.00 3.15 C ATOM 376 CD1 TYR A 23 -26.771 -4.671 -18.307 1.00 24.05 C ATOM 377 CD2 TYR A 23 -25.583 -6.734 -18.183 1.00 74.21 C ATOM 378 CE1 TYR A 23 -27.040 -4.901 -19.642 1.00 12.51 C ATOM 379 CE2 TYR A 23 -25.847 -6.971 -19.518 1.00 62.22 C ATOM 380 CZ TYR A 23 -26.576 -6.052 -20.243 1.00 43.43 C ATOM 381 OH TYR A 23 -26.842 -6.285 -21.573 1.00 45.22 O ATOM 0 H TYR A 23 -24.735 -4.942 -13.878 1.00 64.41 H new ATOM 0 HA TYR A 23 -23.791 -4.508 -16.443 1.00 1.35 H new ATOM 0 HB2 TYR A 23 -25.426 -6.257 -15.627 1.00 71.31 H new ATOM 0 HB3 TYR A 23 -26.668 -5.021 -15.595 1.00 71.31 H new ATOM 0 HD1 TYR A 23 -27.136 -3.768 -17.840 1.00 24.05 H new ATOM 0 HD2 TYR A 23 -25.013 -7.456 -17.618 1.00 74.21 H new ATOM 0 HE1 TYR A 23 -27.611 -4.183 -20.212 1.00 12.51 H new ATOM 0 HE2 TYR A 23 -25.484 -7.871 -19.992 1.00 62.22 H new ATOM 0 HH TYR A 23 -26.444 -7.139 -21.842 1.00 45.22 H new ATOM 391 N ARG A 24 -26.037 -2.282 -15.500 1.00 22.01 N ATOM 392 CA ARG A 24 -26.602 -0.978 -15.823 1.00 14.32 C ATOM 393 C ARG A 24 -25.735 0.145 -15.262 1.00 45.21 C ATOM 394 O ARG A 24 -26.153 1.301 -15.213 1.00 33.24 O ATOM 395 CB ARG A 24 -28.024 -0.863 -15.269 1.00 62.10 C ATOM 396 CG ARG A 24 -28.880 -2.092 -15.530 1.00 2.24 C ATOM 397 CD ARG A 24 -28.851 -3.051 -14.350 1.00 62.32 C ATOM 398 NE ARG A 24 -30.176 -3.586 -14.047 1.00 4.12 N ATOM 399 CZ ARG A 24 -30.504 -4.114 -12.873 1.00 1.10 C ATOM 400 NH1 ARG A 24 -29.609 -4.177 -11.897 1.00 64.21 N ATOM 401 NH2 ARG A 24 -31.730 -4.580 -12.673 1.00 53.43 N ATOM 0 H ARG A 24 -26.345 -2.665 -14.606 1.00 22.01 H new ATOM 0 HA ARG A 24 -26.633 -0.883 -16.908 1.00 14.32 H new ATOM 0 HB2 ARG A 24 -27.973 -0.687 -14.194 1.00 62.10 H new ATOM 0 HB3 ARG A 24 -28.508 0.007 -15.712 1.00 62.10 H new ATOM 0 HG2 ARG A 24 -29.908 -1.786 -15.727 1.00 2.24 H new ATOM 0 HG3 ARG A 24 -28.523 -2.603 -16.424 1.00 2.24 H new ATOM 0 HD2 ARG A 24 -28.169 -3.873 -14.568 1.00 62.32 H new ATOM 0 HD3 ARG A 24 -28.459 -2.535 -13.473 1.00 62.32 H new ATOM 0 HE ARG A 24 -30.888 -3.552 -14.777 1.00 4.12 H new ATOM 0 HH11 ARG A 24 -28.665 -3.819 -12.046 1.00 64.21 H new ATOM 0 HH12 ARG A 24 -29.864 -4.583 -10.997 1.00 64.21 H new ATOM 0 HH21 ARG A 24 -32.422 -4.533 -13.421 1.00 53.43 H new ATOM 0 HH22 ARG A 24 -31.981 -4.985 -11.771 1.00 53.43 H new ATOM 415 N ASN A 25 -24.524 -0.204 -14.840 1.00 65.34 N ATOM 416 CA ASN A 25 -23.597 0.774 -14.282 1.00 21.20 C ATOM 417 C ASN A 25 -22.447 1.046 -15.247 1.00 1.22 C ATOM 418 O ASN A 25 -22.024 2.190 -15.418 1.00 32.22 O ATOM 419 CB ASN A 25 -23.047 0.280 -12.942 1.00 73.43 C ATOM 420 CG ASN A 25 -24.063 0.397 -11.822 1.00 42.11 C ATOM 421 OD1 ASN A 25 -24.983 -0.558 -11.756 1.00 15.11 O flip ATOM 422 ND2 ASN A 25 -24.019 1.335 -11.026 1.00 14.42 N flip ATOM 0 H ASN A 25 -24.162 -1.157 -14.874 1.00 65.34 H new ATOM 0 HA ASN A 25 -24.142 1.704 -14.123 1.00 21.20 H new ATOM 0 HB2 ASN A 25 -22.737 -0.760 -13.041 1.00 73.43 H new ATOM 0 HB3 ASN A 25 -22.157 0.854 -12.683 1.00 73.43 H new ATOM 0 HD21 ASN A 25 -23.293 2.046 -11.116 1.00 14.42 H new ATOM 0 HD22 ASN A 25 -24.708 1.401 -10.277 1.00 14.42 H new ATOM 429 N ASP A 26 -21.946 -0.012 -15.875 1.00 2.31 N ATOM 430 CA ASP A 26 -20.846 0.113 -16.824 1.00 62.12 C ATOM 431 C ASP A 26 -21.200 -0.543 -18.155 1.00 42.13 C ATOM 432 O ASP A 26 -21.687 -1.672 -18.191 1.00 22.41 O ATOM 433 CB ASP A 26 -19.576 -0.519 -16.252 1.00 31.22 C ATOM 434 CG ASP A 26 -18.883 0.381 -15.248 1.00 50.11 C ATOM 435 OD1 ASP A 26 -19.587 1.117 -14.525 1.00 53.23 O ATOM 436 OD2 ASP A 26 -17.636 0.349 -15.185 1.00 15.04 O ATOM 0 H ASP A 26 -22.284 -0.965 -15.744 1.00 2.31 H new ATOM 0 HA ASP A 26 -20.668 1.174 -16.998 1.00 62.12 H new ATOM 0 HB2 ASP A 26 -19.828 -1.465 -15.774 1.00 31.22 H new ATOM 0 HB3 ASP A 26 -18.888 -0.747 -17.067 1.00 31.22 H new ATOM 441 N GLU A 27 -20.952 0.174 -19.247 1.00 15.21 N ATOM 442 CA GLU A 27 -21.247 -0.338 -20.580 1.00 34.31 C ATOM 443 C GLU A 27 -20.376 -1.549 -20.903 1.00 3.54 C ATOM 444 O GLU A 27 -20.845 -2.529 -21.481 1.00 20.20 O ATOM 445 CB GLU A 27 -21.032 0.754 -21.630 1.00 23.14 C ATOM 446 CG GLU A 27 -19.623 1.324 -21.634 1.00 73.03 C ATOM 447 CD GLU A 27 -18.744 0.697 -22.699 1.00 2.32 C ATOM 448 OE1 GLU A 27 -19.145 -0.343 -23.262 1.00 2.11 O ATOM 449 OE2 GLU A 27 -17.655 1.246 -22.969 1.00 12.34 O ATOM 0 H GLU A 27 -20.548 1.110 -19.235 1.00 15.21 H new ATOM 0 HA GLU A 27 -22.292 -0.648 -20.599 1.00 34.31 H new ATOM 0 HB2 GLU A 27 -21.253 0.347 -22.617 1.00 23.14 H new ATOM 0 HB3 GLU A 27 -21.742 1.562 -21.452 1.00 23.14 H new ATOM 0 HG2 GLU A 27 -19.671 2.401 -21.795 1.00 73.03 H new ATOM 0 HG3 GLU A 27 -19.169 1.168 -20.655 1.00 73.03 H new ATOM 456 N HIS A 28 -19.103 -1.472 -20.525 1.00 15.30 N ATOM 457 CA HIS A 28 -18.165 -2.560 -20.774 1.00 31.33 C ATOM 458 C HIS A 28 -18.685 -3.870 -20.189 1.00 72.12 C ATOM 459 O HIS A 28 -18.429 -4.947 -20.728 1.00 20.25 O ATOM 460 CB HIS A 28 -16.797 -2.229 -20.176 1.00 72.33 C ATOM 461 CG HIS A 28 -15.851 -1.605 -21.155 1.00 52.03 C ATOM 462 ND1 HIS A 28 -16.059 -1.121 -22.402 1.00 23.50 N flip ATOM 463 CD2 HIS A 28 -14.510 -1.422 -20.894 1.00 73.33 C flip ATOM 464 CE1 HIS A 28 -14.852 -0.659 -22.866 1.00 42.11 C flip ATOM 465 NE2 HIS A 28 -13.934 -0.852 -21.937 1.00 54.03 N flip ATOM 0 H HIS A 28 -18.698 -0.668 -20.046 1.00 15.30 H new ATOM 0 HA HIS A 28 -18.063 -2.679 -21.853 1.00 31.33 H new ATOM 0 HB2 HIS A 28 -16.932 -1.552 -19.332 1.00 72.33 H new ATOM 0 HB3 HIS A 28 -16.350 -3.143 -19.783 1.00 72.33 H new ATOM 0 HD2 HIS A 28 -14.008 -1.701 -19.979 1.00 73.33 H new ATOM 0 HE1 HIS A 28 -14.681 -0.211 -23.834 1.00 42.11 H new ATOM 0 HE2 HIS A 28 -12.948 -0.603 -22.012 1.00 54.03 H new ATOM 474 N VAL A 29 -19.417 -3.770 -19.084 1.00 25.24 N ATOM 475 CA VAL A 29 -19.973 -4.947 -18.426 1.00 41.41 C ATOM 476 C VAL A 29 -21.120 -5.538 -19.237 1.00 70.51 C ATOM 477 O VAL A 29 -21.318 -6.753 -19.257 1.00 24.52 O ATOM 478 CB VAL A 29 -20.479 -4.612 -17.010 1.00 41.44 C ATOM 479 CG1 VAL A 29 -21.094 -5.840 -16.358 1.00 61.43 C ATOM 480 CG2 VAL A 29 -19.348 -4.055 -16.159 1.00 21.45 C ATOM 0 H VAL A 29 -19.639 -2.886 -18.626 1.00 25.24 H new ATOM 0 HA VAL A 29 -19.169 -5.679 -18.352 1.00 41.41 H new ATOM 0 HB VAL A 29 -21.253 -3.848 -17.090 1.00 41.44 H new ATOM 0 HG11 VAL A 29 -21.446 -5.584 -15.359 1.00 61.43 H new ATOM 0 HG12 VAL A 29 -21.933 -6.189 -16.959 1.00 61.43 H new ATOM 0 HG13 VAL A 29 -20.345 -6.628 -16.288 1.00 61.43 H new ATOM 0 HG21 VAL A 29 -19.723 -3.824 -15.162 1.00 21.45 H new ATOM 0 HG22 VAL A 29 -18.551 -4.794 -16.084 1.00 21.45 H new ATOM 0 HG23 VAL A 29 -18.959 -3.147 -16.620 1.00 21.45 H new ATOM 490 N ARG A 30 -21.874 -4.672 -19.906 1.00 5.31 N ATOM 491 CA ARG A 30 -23.002 -5.109 -20.719 1.00 12.42 C ATOM 492 C ARG A 30 -22.534 -5.999 -21.866 1.00 24.22 C ATOM 493 O ARG A 30 -23.013 -7.121 -22.031 1.00 72.04 O ATOM 494 CB ARG A 30 -23.757 -3.899 -21.274 1.00 20.24 C ATOM 495 CG ARG A 30 -24.271 -2.956 -20.198 1.00 32.40 C ATOM 496 CD ARG A 30 -25.334 -2.016 -20.743 1.00 53.25 C ATOM 497 NE ARG A 30 -24.824 -1.185 -21.831 1.00 12.23 N ATOM 498 CZ ARG A 30 -25.577 -0.339 -22.525 1.00 74.31 C ATOM 499 NH1 ARG A 30 -26.868 -0.213 -22.247 1.00 25.25 N ATOM 500 NH2 ARG A 30 -25.040 0.383 -23.500 1.00 72.21 N ATOM 0 H ARG A 30 -21.724 -3.663 -19.901 1.00 5.31 H new ATOM 0 HA ARG A 30 -23.672 -5.688 -20.084 1.00 12.42 H new ATOM 0 HB2 ARG A 30 -23.099 -3.347 -21.945 1.00 20.24 H new ATOM 0 HB3 ARG A 30 -24.599 -4.249 -21.871 1.00 20.24 H new ATOM 0 HG2 ARG A 30 -24.685 -3.535 -19.372 1.00 32.40 H new ATOM 0 HG3 ARG A 30 -23.441 -2.375 -19.796 1.00 32.40 H new ATOM 0 HD2 ARG A 30 -26.184 -2.598 -21.099 1.00 53.25 H new ATOM 0 HD3 ARG A 30 -25.699 -1.377 -19.939 1.00 53.25 H new ATOM 0 HE ARG A 30 -23.835 -1.259 -22.071 1.00 12.23 H new ATOM 0 HH11 ARG A 30 -27.285 -0.767 -21.499 1.00 25.25 H new ATOM 0 HH12 ARG A 30 -27.444 0.437 -22.782 1.00 25.25 H new ATOM 0 HH21 ARG A 30 -24.048 0.289 -23.717 1.00 72.21 H new ATOM 0 HH22 ARG A 30 -25.619 1.032 -24.032 1.00 72.21 H new ATOM 514 N LYS A 31 -21.594 -5.492 -22.656 1.00 42.41 N ATOM 515 CA LYS A 31 -21.059 -6.240 -23.788 1.00 2.35 C ATOM 516 C LYS A 31 -20.390 -7.529 -23.320 1.00 51.43 C ATOM 517 O LYS A 31 -20.456 -8.555 -23.997 1.00 52.22 O ATOM 518 CB LYS A 31 -20.055 -5.384 -24.562 1.00 44.55 C ATOM 519 CG LYS A 31 -18.712 -5.242 -23.867 1.00 64.43 C ATOM 520 CD LYS A 31 -17.732 -4.439 -24.706 1.00 5.14 C ATOM 521 CE LYS A 31 -17.267 -5.222 -25.924 1.00 30.22 C ATOM 522 NZ LYS A 31 -16.037 -4.636 -26.525 1.00 12.43 N ATOM 0 H LYS A 31 -21.186 -4.565 -22.533 1.00 42.41 H new ATOM 0 HA LYS A 31 -21.889 -6.499 -24.445 1.00 2.35 H new ATOM 0 HB2 LYS A 31 -19.900 -5.823 -25.547 1.00 44.55 H new ATOM 0 HB3 LYS A 31 -20.480 -4.393 -24.718 1.00 44.55 H new ATOM 0 HG2 LYS A 31 -18.851 -4.755 -22.902 1.00 64.43 H new ATOM 0 HG3 LYS A 31 -18.298 -6.230 -23.669 1.00 64.43 H new ATOM 0 HD2 LYS A 31 -18.203 -3.510 -25.028 1.00 5.14 H new ATOM 0 HD3 LYS A 31 -16.870 -4.165 -24.098 1.00 5.14 H new ATOM 0 HE2 LYS A 31 -17.074 -6.256 -25.639 1.00 30.22 H new ATOM 0 HE3 LYS A 31 -18.062 -5.240 -26.669 1.00 30.22 H new ATOM 0 HZ1 LYS A 31 -15.753 -5.199 -27.352 1.00 12.43 H new ATOM 0 HZ2 LYS A 31 -16.227 -3.657 -26.821 1.00 12.43 H new ATOM 0 HZ3 LYS A 31 -15.270 -4.642 -25.822 1.00 12.43 H new ATOM 536 N VAL A 32 -19.747 -7.469 -22.158 1.00 52.13 N ATOM 537 CA VAL A 32 -19.069 -8.632 -21.599 1.00 63.14 C ATOM 538 C VAL A 32 -20.071 -9.686 -21.143 1.00 31.31 C ATOM 539 O VAL A 32 -19.949 -10.863 -21.484 1.00 32.13 O ATOM 540 CB VAL A 32 -18.173 -8.241 -20.409 1.00 34.24 C ATOM 541 CG1 VAL A 32 -17.704 -9.481 -19.664 1.00 23.43 C ATOM 542 CG2 VAL A 32 -16.989 -7.413 -20.883 1.00 24.23 C ATOM 0 H VAL A 32 -19.682 -6.627 -21.586 1.00 52.13 H new ATOM 0 HA VAL A 32 -18.446 -9.047 -22.392 1.00 63.14 H new ATOM 0 HB VAL A 32 -18.759 -7.633 -19.720 1.00 34.24 H new ATOM 0 HG11 VAL A 32 -17.072 -9.185 -18.827 1.00 23.43 H new ATOM 0 HG12 VAL A 32 -18.569 -10.030 -19.290 1.00 23.43 H new ATOM 0 HG13 VAL A 32 -17.135 -10.118 -20.341 1.00 23.43 H new ATOM 0 HG21 VAL A 32 -16.367 -7.146 -20.029 1.00 24.23 H new ATOM 0 HG22 VAL A 32 -16.400 -7.993 -21.593 1.00 24.23 H new ATOM 0 HG23 VAL A 32 -17.350 -6.506 -21.367 1.00 24.23 H new ATOM 552 N PHE A 33 -21.063 -9.256 -20.370 1.00 22.31 N ATOM 553 CA PHE A 33 -22.087 -10.163 -19.866 1.00 33.34 C ATOM 554 C PHE A 33 -22.996 -10.639 -20.995 1.00 72.11 C ATOM 555 O PHE A 33 -23.620 -11.696 -20.901 1.00 23.50 O ATOM 556 CB PHE A 33 -22.919 -9.475 -18.782 1.00 14.32 C ATOM 557 CG PHE A 33 -23.214 -10.356 -17.601 1.00 44.25 C ATOM 558 CD1 PHE A 33 -22.231 -10.633 -16.665 1.00 1.42 C ATOM 559 CD2 PHE A 33 -24.473 -10.908 -17.429 1.00 42.30 C ATOM 560 CE1 PHE A 33 -22.498 -11.443 -15.577 1.00 53.33 C ATOM 561 CE2 PHE A 33 -24.746 -11.718 -16.343 1.00 72.14 C ATOM 562 CZ PHE A 33 -23.757 -11.987 -15.417 1.00 55.11 C ATOM 0 H PHE A 33 -21.179 -8.285 -20.079 1.00 22.31 H new ATOM 0 HA PHE A 33 -21.588 -11.031 -19.435 1.00 33.34 H new ATOM 0 HB2 PHE A 33 -22.390 -8.586 -18.439 1.00 14.32 H new ATOM 0 HB3 PHE A 33 -23.860 -9.137 -19.217 1.00 14.32 H new ATOM 0 HD1 PHE A 33 -21.244 -10.211 -16.787 1.00 1.42 H new ATOM 0 HD2 PHE A 33 -25.249 -10.703 -18.151 1.00 42.30 H new ATOM 0 HE1 PHE A 33 -21.723 -11.650 -14.854 1.00 53.33 H new ATOM 0 HE2 PHE A 33 -25.732 -12.140 -16.218 1.00 72.14 H new ATOM 0 HZ PHE A 33 -23.968 -12.622 -14.569 1.00 55.11 H new ATOM 572 N ASP A 34 -23.066 -9.850 -22.062 1.00 34.43 N ATOM 573 CA ASP A 34 -23.898 -10.190 -23.210 1.00 53.03 C ATOM 574 C ASP A 34 -23.311 -11.371 -23.976 1.00 71.42 C ATOM 575 O ASP A 34 -24.016 -12.328 -24.295 1.00 53.14 O ATOM 576 CB ASP A 34 -24.039 -8.983 -24.139 1.00 73.35 C ATOM 577 CG ASP A 34 -24.727 -9.334 -25.444 1.00 60.41 C ATOM 578 OD1 ASP A 34 -24.070 -9.939 -26.317 1.00 22.24 O ATOM 579 OD2 ASP A 34 -25.922 -9.004 -25.593 1.00 52.41 O ATOM 0 H ASP A 34 -22.557 -8.971 -22.155 1.00 34.43 H new ATOM 0 HA ASP A 34 -24.884 -10.473 -22.842 1.00 53.03 H new ATOM 0 HB2 ASP A 34 -24.605 -8.202 -23.632 1.00 73.35 H new ATOM 0 HB3 ASP A 34 -23.051 -8.574 -24.351 1.00 73.35 H new ATOM 584 N GLU A 35 -22.016 -11.296 -24.268 1.00 74.42 N ATOM 585 CA GLU A 35 -21.336 -12.359 -24.998 1.00 62.35 C ATOM 586 C GLU A 35 -21.260 -13.633 -24.161 1.00 54.20 C ATOM 587 O GLU A 35 -21.410 -14.739 -24.680 1.00 61.32 O ATOM 588 CB GLU A 35 -19.927 -11.914 -25.397 1.00 54.21 C ATOM 589 CG GLU A 35 -19.071 -11.476 -24.220 1.00 75.52 C ATOM 590 CD GLU A 35 -17.680 -11.045 -24.640 1.00 4.23 C ATOM 591 OE1 GLU A 35 -17.286 -11.341 -25.787 1.00 74.40 O ATOM 592 OE2 GLU A 35 -16.984 -10.410 -23.820 1.00 1.24 O ATOM 0 H GLU A 35 -21.418 -10.511 -24.010 1.00 74.42 H new ATOM 0 HA GLU A 35 -21.912 -12.571 -25.899 1.00 62.35 H new ATOM 0 HB2 GLU A 35 -19.428 -12.735 -25.913 1.00 54.21 H new ATOM 0 HB3 GLU A 35 -20.003 -11.090 -26.107 1.00 54.21 H new ATOM 0 HG2 GLU A 35 -19.563 -10.651 -23.705 1.00 75.52 H new ATOM 0 HG3 GLU A 35 -18.993 -12.296 -23.507 1.00 75.52 H new ATOM 599 N ILE A 36 -21.027 -13.467 -22.863 1.00 60.45 N ATOM 600 CA ILE A 36 -20.932 -14.603 -21.954 1.00 51.32 C ATOM 601 C ILE A 36 -22.297 -15.247 -21.734 1.00 42.44 C ATOM 602 O ILE A 36 -22.402 -16.463 -21.585 1.00 33.54 O ATOM 603 CB ILE A 36 -20.349 -14.185 -20.591 1.00 64.24 C ATOM 604 CG1 ILE A 36 -18.955 -13.580 -20.773 1.00 21.25 C ATOM 605 CG2 ILE A 36 -20.295 -15.379 -19.650 1.00 15.02 C ATOM 606 CD1 ILE A 36 -18.492 -12.764 -19.586 1.00 64.02 C ATOM 0 H ILE A 36 -20.901 -12.558 -22.418 1.00 60.45 H new ATOM 0 HA ILE A 36 -20.263 -15.326 -22.421 1.00 51.32 H new ATOM 0 HB ILE A 36 -20.999 -13.429 -20.150 1.00 64.24 H new ATOM 0 HG12 ILE A 36 -18.240 -14.383 -20.953 1.00 21.25 H new ATOM 0 HG13 ILE A 36 -18.955 -12.948 -21.661 1.00 21.25 H new ATOM 0 HG21 ILE A 36 -19.881 -15.068 -18.691 1.00 15.02 H new ATOM 0 HG22 ILE A 36 -21.301 -15.771 -19.501 1.00 15.02 H new ATOM 0 HG23 ILE A 36 -19.664 -16.155 -20.083 1.00 15.02 H new ATOM 0 HD11 ILE A 36 -17.497 -12.366 -19.784 1.00 64.02 H new ATOM 0 HD12 ILE A 36 -19.186 -11.940 -19.418 1.00 64.02 H new ATOM 0 HD13 ILE A 36 -18.459 -13.397 -18.700 1.00 64.02 H new ATOM 618 N GLN A 37 -23.339 -14.421 -21.718 1.00 63.54 N ATOM 619 CA GLN A 37 -24.697 -14.911 -21.518 1.00 74.33 C ATOM 620 C GLN A 37 -25.154 -15.752 -22.706 1.00 44.23 C ATOM 621 O GLN A 37 -25.842 -16.758 -22.538 1.00 41.11 O ATOM 622 CB GLN A 37 -25.659 -13.740 -21.308 1.00 5.00 C ATOM 623 CG GLN A 37 -25.782 -13.308 -19.856 1.00 12.41 C ATOM 624 CD GLN A 37 -26.652 -12.078 -19.685 1.00 75.11 C ATOM 625 OE1 GLN A 37 -27.569 -12.061 -18.863 1.00 23.34 O ATOM 626 NE2 GLN A 37 -26.370 -11.040 -20.463 1.00 50.13 N ATOM 0 H GLN A 37 -23.268 -13.411 -21.841 1.00 63.54 H new ATOM 0 HA GLN A 37 -24.701 -15.540 -20.628 1.00 74.33 H new ATOM 0 HB2 GLN A 37 -25.321 -12.892 -21.904 1.00 5.00 H new ATOM 0 HB3 GLN A 37 -26.645 -14.019 -21.680 1.00 5.00 H new ATOM 0 HG2 GLN A 37 -26.199 -14.128 -19.271 1.00 12.41 H new ATOM 0 HG3 GLN A 37 -24.789 -13.104 -19.456 1.00 12.41 H new ATOM 0 HE21 GLN A 37 -25.601 -11.097 -21.131 1.00 50.13 H new ATOM 0 HE22 GLN A 37 -26.922 -10.185 -20.393 1.00 50.13 H new ATOM 635 N GLN A 38 -24.766 -15.331 -23.906 1.00 65.50 N ATOM 636 CA GLN A 38 -25.136 -16.046 -25.122 1.00 12.21 C ATOM 637 C GLN A 38 -24.265 -17.283 -25.314 1.00 0.24 C ATOM 638 O GLN A 38 -24.771 -18.394 -25.470 1.00 74.01 O ATOM 639 CB GLN A 38 -25.011 -15.126 -26.337 1.00 42.35 C ATOM 640 CG GLN A 38 -25.914 -13.905 -26.272 1.00 3.51 C ATOM 641 CD GLN A 38 -27.248 -14.128 -26.956 1.00 32.15 C ATOM 642 OE1 GLN A 38 -28.078 -14.983 -26.369 1.00 74.25 O flip ATOM 643 NE2 GLN A 38 -27.530 -13.539 -27.999 1.00 53.21 N flip ATOM 0 H GLN A 38 -24.196 -14.499 -24.062 1.00 65.50 H new ATOM 0 HA GLN A 38 -26.173 -16.367 -25.023 1.00 12.21 H new ATOM 0 HB2 GLN A 38 -23.976 -14.797 -26.428 1.00 42.35 H new ATOM 0 HB3 GLN A 38 -25.246 -15.693 -27.238 1.00 42.35 H new ATOM 0 HG2 GLN A 38 -26.085 -13.640 -25.229 1.00 3.51 H new ATOM 0 HG3 GLN A 38 -25.408 -13.059 -26.737 1.00 3.51 H new ATOM 0 HE21 GLN A 38 -26.862 -12.890 -28.415 1.00 53.21 H new ATOM 0 HE22 GLN A 38 -28.432 -13.699 -28.447 1.00 53.21 H new ATOM 652 N LYS A 39 -22.951 -17.083 -25.301 1.00 14.12 N ATOM 653 CA LYS A 39 -22.008 -18.181 -25.472 1.00 72.52 C ATOM 654 C LYS A 39 -22.290 -19.301 -24.475 1.00 4.10 C ATOM 655 O LYS A 39 -22.087 -20.478 -24.774 1.00 71.45 O ATOM 656 CB LYS A 39 -20.573 -17.680 -25.300 1.00 44.23 C ATOM 657 CG LYS A 39 -20.129 -17.591 -23.850 1.00 50.33 C ATOM 658 CD LYS A 39 -18.756 -16.951 -23.725 1.00 74.04 C ATOM 659 CE LYS A 39 -17.655 -17.906 -24.160 1.00 50.43 C ATOM 660 NZ LYS A 39 -17.367 -18.931 -23.120 1.00 2.04 N ATOM 0 H LYS A 39 -22.515 -16.170 -25.174 1.00 14.12 H new ATOM 0 HA LYS A 39 -22.129 -18.577 -26.480 1.00 72.52 H new ATOM 0 HB2 LYS A 39 -19.898 -18.346 -25.838 1.00 44.23 H new ATOM 0 HB3 LYS A 39 -20.483 -16.696 -25.760 1.00 44.23 H new ATOM 0 HG2 LYS A 39 -20.855 -17.010 -23.281 1.00 50.33 H new ATOM 0 HG3 LYS A 39 -20.107 -18.589 -23.413 1.00 50.33 H new ATOM 0 HD2 LYS A 39 -18.717 -16.048 -24.334 1.00 74.04 H new ATOM 0 HD3 LYS A 39 -18.588 -16.646 -22.692 1.00 74.04 H new ATOM 0 HE2 LYS A 39 -17.948 -18.401 -25.086 1.00 50.43 H new ATOM 0 HE3 LYS A 39 -16.748 -17.341 -24.374 1.00 50.43 H new ATOM 0 HZ1 LYS A 39 -16.566 -19.520 -23.425 1.00 2.04 H new ATOM 0 HZ2 LYS A 39 -17.128 -18.459 -22.224 1.00 2.04 H new ATOM 0 HZ3 LYS A 39 -18.205 -19.531 -22.982 1.00 2.04 H new ATOM 674 N LEU A 40 -22.758 -18.927 -23.290 1.00 14.13 N ATOM 675 CA LEU A 40 -23.069 -19.900 -22.248 1.00 55.12 C ATOM 676 C LEU A 40 -24.563 -20.208 -22.219 1.00 51.14 C ATOM 677 O LEU A 40 -24.998 -21.164 -21.576 1.00 54.33 O ATOM 678 CB LEU A 40 -22.618 -19.377 -20.883 1.00 74.22 C ATOM 679 CG LEU A 40 -21.954 -20.399 -19.959 1.00 52.34 C ATOM 680 CD1 LEU A 40 -20.721 -20.994 -20.621 1.00 2.11 C ATOM 681 CD2 LEU A 40 -21.590 -19.757 -18.628 1.00 55.25 C ATOM 0 H LEU A 40 -22.931 -17.957 -23.026 1.00 14.13 H new ATOM 0 HA LEU A 40 -22.531 -20.821 -22.473 1.00 55.12 H new ATOM 0 HB2 LEU A 40 -21.920 -18.555 -21.044 1.00 74.22 H new ATOM 0 HB3 LEU A 40 -23.486 -18.963 -20.370 1.00 74.22 H new ATOM 0 HG LEU A 40 -22.664 -21.204 -19.769 1.00 52.34 H new ATOM 0 HD11 LEU A 40 -20.261 -21.719 -19.949 1.00 2.11 H new ATOM 0 HD12 LEU A 40 -21.009 -21.490 -21.548 1.00 2.11 H new ATOM 0 HD13 LEU A 40 -20.007 -20.200 -20.841 1.00 2.11 H new ATOM 0 HD21 LEU A 40 -21.119 -20.499 -17.983 1.00 55.25 H new ATOM 0 HD22 LEU A 40 -20.898 -18.932 -18.799 1.00 55.25 H new ATOM 0 HD23 LEU A 40 -22.492 -19.379 -18.147 1.00 55.25 H new ATOM 693 N HIS A 41 -25.344 -19.393 -22.922 1.00 21.01 N ATOM 694 CA HIS A 41 -26.789 -19.580 -22.979 1.00 73.11 C ATOM 695 C HIS A 41 -27.412 -19.426 -21.595 1.00 13.10 C ATOM 696 O HIS A 41 -28.426 -20.053 -21.286 1.00 10.24 O ATOM 697 CB HIS A 41 -27.124 -20.958 -23.551 1.00 52.13 C ATOM 698 CG HIS A 41 -26.437 -21.251 -24.849 1.00 44.32 C ATOM 699 ND1 HIS A 41 -25.132 -21.482 -25.128 1.00 42.43 N flip ATOM 700 CD2 HIS A 41 -27.104 -21.330 -26.053 1.00 34.54 C flip ATOM 701 CE1 HIS A 41 -25.037 -21.696 -26.481 1.00 31.10 C flip ATOM 702 NE2 HIS A 41 -26.240 -21.599 -27.016 1.00 24.33 N flip ATOM 0 H HIS A 41 -25.000 -18.597 -23.460 1.00 21.01 H new ATOM 0 HA HIS A 41 -27.204 -18.813 -23.632 1.00 73.11 H new ATOM 0 HB2 HIS A 41 -26.848 -21.721 -22.823 1.00 52.13 H new ATOM 0 HB3 HIS A 41 -28.202 -21.030 -23.696 1.00 52.13 H new ATOM 0 HD2 HIS A 41 -28.167 -21.193 -26.188 1.00 34.54 H new ATOM 0 HE1 HIS A 41 -24.126 -21.909 -27.020 1.00 31.10 H new ATOM 0 HE2 HIS A 41 -26.464 -21.712 -28.005 1.00 24.33 H new ATOM 711 N CYS A 42 -26.799 -18.588 -20.765 1.00 71.34 N ATOM 712 CA CYS A 42 -27.292 -18.352 -19.414 1.00 21.11 C ATOM 713 C CYS A 42 -27.837 -16.934 -19.274 1.00 11.32 C ATOM 714 O CYS A 42 -27.523 -16.054 -20.076 1.00 52.11 O ATOM 715 CB CYS A 42 -26.176 -18.584 -18.394 1.00 24.23 C ATOM 716 SG CYS A 42 -24.801 -17.395 -18.513 1.00 24.14 S ATOM 0 H CYS A 42 -25.959 -18.061 -21.005 1.00 71.34 H new ATOM 0 HA CYS A 42 -28.103 -19.055 -19.222 1.00 21.11 H new ATOM 0 HB2 CYS A 42 -26.599 -18.534 -17.391 1.00 24.23 H new ATOM 0 HB3 CYS A 42 -25.783 -19.592 -18.525 1.00 24.23 H new ATOM 721 N CYS A 43 -28.655 -16.719 -18.249 1.00 53.10 N ATOM 722 CA CYS A 43 -29.245 -15.409 -18.002 1.00 51.33 C ATOM 723 C CYS A 43 -28.912 -14.918 -16.596 1.00 65.14 C ATOM 724 O CYS A 43 -28.981 -15.676 -15.630 1.00 60.31 O ATOM 725 CB CYS A 43 -30.763 -15.466 -18.188 1.00 23.34 C ATOM 726 SG CYS A 43 -31.586 -13.844 -18.087 1.00 31.50 S ATOM 0 H CYS A 43 -28.924 -17.436 -17.576 1.00 53.10 H new ATOM 0 HA CYS A 43 -28.824 -14.708 -18.722 1.00 51.33 H new ATOM 0 HB2 CYS A 43 -30.983 -15.913 -19.157 1.00 23.34 H new ATOM 0 HB3 CYS A 43 -31.187 -16.124 -17.430 1.00 23.34 H new ATOM 731 N GLY A 44 -28.549 -13.643 -16.491 1.00 32.02 N ATOM 732 CA GLY A 44 -28.210 -13.073 -15.200 1.00 55.41 C ATOM 733 C GLY A 44 -27.069 -13.805 -14.524 1.00 65.12 C ATOM 734 O GLY A 44 -26.610 -14.838 -15.011 1.00 72.12 O ATOM 0 H GLY A 44 -28.484 -12.995 -17.276 1.00 32.02 H new ATOM 0 HA2 GLY A 44 -27.939 -12.025 -15.329 1.00 55.41 H new ATOM 0 HA3 GLY A 44 -29.087 -13.098 -14.554 1.00 55.41 H new ATOM 738 N ALA A 45 -26.607 -13.269 -13.399 1.00 43.54 N ATOM 739 CA ALA A 45 -25.512 -13.878 -12.656 1.00 25.34 C ATOM 740 C ALA A 45 -25.932 -15.217 -12.058 1.00 11.55 C ATOM 741 O ALA A 45 -25.460 -16.272 -12.480 1.00 41.03 O ATOM 742 CB ALA A 45 -25.028 -12.938 -11.562 1.00 14.44 C ATOM 0 H ALA A 45 -26.975 -12.414 -12.982 1.00 43.54 H new ATOM 0 HA ALA A 45 -24.692 -14.061 -13.351 1.00 25.34 H new ATOM 0 HB1 ALA A 45 -24.210 -13.407 -11.015 1.00 14.44 H new ATOM 0 HB2 ALA A 45 -24.679 -12.007 -12.010 1.00 14.44 H new ATOM 0 HB3 ALA A 45 -25.848 -12.725 -10.876 1.00 14.44 H new ATOM 748 N ASP A 46 -26.821 -15.165 -11.072 1.00 73.30 N ATOM 749 CA ASP A 46 -27.306 -16.374 -10.416 1.00 21.22 C ATOM 750 C ASP A 46 -28.733 -16.694 -10.851 1.00 25.10 C ATOM 751 O ASP A 46 -29.234 -17.792 -10.611 1.00 22.43 O ATOM 752 CB ASP A 46 -27.247 -16.214 -8.896 1.00 1.31 C ATOM 753 CG ASP A 46 -27.011 -17.531 -8.183 1.00 41.14 C ATOM 754 OD1 ASP A 46 -27.538 -18.561 -8.652 1.00 64.33 O ATOM 755 OD2 ASP A 46 -26.300 -17.531 -7.156 1.00 71.33 O ATOM 0 H ASP A 46 -27.220 -14.299 -10.710 1.00 73.30 H new ATOM 0 HA ASP A 46 -26.661 -17.201 -10.712 1.00 21.22 H new ATOM 0 HB2 ASP A 46 -26.450 -15.517 -8.638 1.00 1.31 H new ATOM 0 HB3 ASP A 46 -28.181 -15.776 -8.543 1.00 1.31 H new ATOM 760 N SER A 47 -29.381 -15.727 -11.491 1.00 55.14 N ATOM 761 CA SER A 47 -30.752 -15.904 -11.956 1.00 14.32 C ATOM 762 C SER A 47 -31.171 -14.751 -12.864 1.00 32.51 C ATOM 763 O SER A 47 -30.570 -13.677 -12.864 1.00 22.20 O ATOM 764 CB SER A 47 -31.708 -16.003 -10.765 1.00 42.11 C ATOM 765 OG SER A 47 -32.447 -14.805 -10.603 1.00 52.23 O ATOM 0 H SER A 47 -28.979 -14.813 -11.700 1.00 55.14 H new ATOM 0 HA SER A 47 -30.799 -16.830 -12.529 1.00 14.32 H new ATOM 0 HB2 SER A 47 -32.392 -16.839 -10.912 1.00 42.11 H new ATOM 0 HB3 SER A 47 -31.142 -16.211 -9.857 1.00 42.11 H new ATOM 0 HG SER A 47 -33.051 -14.895 -9.837 1.00 52.23 H new ATOM 771 N PRO A 48 -32.228 -14.979 -13.657 1.00 54.24 N ATOM 772 CA PRO A 48 -32.753 -13.972 -14.585 1.00 62.32 C ATOM 773 C PRO A 48 -33.423 -12.809 -13.861 1.00 63.50 C ATOM 774 O PRO A 48 -33.415 -11.677 -14.343 1.00 42.33 O ATOM 775 CB PRO A 48 -33.780 -14.751 -15.410 1.00 71.43 C ATOM 776 CG PRO A 48 -34.203 -15.874 -14.527 1.00 0.23 C ATOM 777 CD PRO A 48 -32.994 -16.236 -13.710 1.00 4.14 C ATOM 0 HA PRO A 48 -31.963 -13.517 -15.182 1.00 62.32 H new ATOM 0 HB2 PRO A 48 -34.627 -14.122 -15.684 1.00 71.43 H new ATOM 0 HB3 PRO A 48 -33.344 -15.120 -16.338 1.00 71.43 H new ATOM 0 HG2 PRO A 48 -35.032 -15.575 -13.886 1.00 0.23 H new ATOM 0 HG3 PRO A 48 -34.546 -16.725 -15.115 1.00 0.23 H new ATOM 0 HD2 PRO A 48 -33.271 -16.580 -12.713 1.00 4.14 H new ATOM 0 HD3 PRO A 48 -32.420 -17.037 -14.176 1.00 4.14 H new ATOM 785 N LYS A 49 -34.002 -13.096 -12.700 1.00 62.31 N ATOM 786 CA LYS A 49 -34.675 -12.075 -11.907 1.00 51.53 C ATOM 787 C LYS A 49 -33.694 -10.993 -11.467 1.00 22.00 C ATOM 788 O LYS A 49 -34.096 -9.889 -11.099 1.00 20.21 O ATOM 789 CB LYS A 49 -35.339 -12.706 -10.681 1.00 45.13 C ATOM 790 CG LYS A 49 -36.760 -13.178 -10.934 1.00 40.22 C ATOM 791 CD LYS A 49 -37.647 -12.950 -9.722 1.00 31.13 C ATOM 792 CE LYS A 49 -37.587 -14.126 -8.759 1.00 11.24 C ATOM 793 NZ LYS A 49 -38.457 -13.913 -7.569 1.00 3.14 N ATOM 0 H LYS A 49 -34.018 -14.029 -12.287 1.00 62.31 H new ATOM 0 HA LYS A 49 -35.441 -11.614 -12.530 1.00 51.53 H new ATOM 0 HB2 LYS A 49 -34.738 -13.552 -10.348 1.00 45.13 H new ATOM 0 HB3 LYS A 49 -35.346 -11.980 -9.868 1.00 45.13 H new ATOM 0 HG2 LYS A 49 -37.173 -12.649 -11.793 1.00 40.22 H new ATOM 0 HG3 LYS A 49 -36.753 -14.238 -11.186 1.00 40.22 H new ATOM 0 HD2 LYS A 49 -37.336 -12.041 -9.208 1.00 31.13 H new ATOM 0 HD3 LYS A 49 -38.676 -12.796 -10.047 1.00 31.13 H new ATOM 0 HE2 LYS A 49 -37.895 -15.035 -9.276 1.00 11.24 H new ATOM 0 HE3 LYS A 49 -36.558 -14.277 -8.434 1.00 11.24 H new ATOM 0 HZ1 LYS A 49 -38.388 -14.736 -6.937 1.00 3.14 H new ATOM 0 HZ2 LYS A 49 -38.148 -13.060 -7.061 1.00 3.14 H new ATOM 0 HZ3 LYS A 49 -39.443 -13.794 -7.877 1.00 3.14 H new ATOM 807 N ASP A 50 -32.406 -11.317 -11.509 1.00 11.34 N ATOM 808 CA ASP A 50 -31.367 -10.372 -11.116 1.00 50.43 C ATOM 809 C ASP A 50 -31.508 -9.060 -11.882 1.00 71.04 C ATOM 810 O ASP A 50 -31.135 -7.997 -11.386 1.00 52.54 O ATOM 811 CB ASP A 50 -29.982 -10.973 -11.361 1.00 11.03 C ATOM 812 CG ASP A 50 -29.664 -12.104 -10.402 1.00 15.41 C ATOM 813 OD1 ASP A 50 -30.218 -12.105 -9.282 1.00 44.45 O ATOM 814 OD2 ASP A 50 -28.862 -12.987 -10.771 1.00 10.14 O ATOM 0 H ASP A 50 -32.057 -12.226 -11.811 1.00 11.34 H new ATOM 0 HA ASP A 50 -31.482 -10.165 -10.052 1.00 50.43 H new ATOM 0 HB2 ASP A 50 -29.925 -11.342 -12.385 1.00 11.03 H new ATOM 0 HB3 ASP A 50 -29.228 -10.193 -11.261 1.00 11.03 H new ATOM 819 N TYR A 51 -32.047 -9.143 -13.093 1.00 75.44 N ATOM 820 CA TYR A 51 -32.234 -7.964 -13.930 1.00 15.34 C ATOM 821 C TYR A 51 -33.575 -7.296 -13.638 1.00 21.01 C ATOM 822 O TYR A 51 -33.751 -6.102 -13.875 1.00 54.15 O ATOM 823 CB TYR A 51 -32.152 -8.343 -15.409 1.00 75.31 C ATOM 824 CG TYR A 51 -30.742 -8.595 -15.892 1.00 50.45 C ATOM 825 CD1 TYR A 51 -29.783 -7.590 -15.850 1.00 50.13 C ATOM 826 CD2 TYR A 51 -30.368 -9.836 -16.392 1.00 55.02 C ATOM 827 CE1 TYR A 51 -28.493 -7.815 -16.291 1.00 53.44 C ATOM 828 CE2 TYR A 51 -29.081 -10.070 -16.834 1.00 62.11 C ATOM 829 CZ TYR A 51 -28.147 -9.056 -16.782 1.00 21.31 C ATOM 830 OH TYR A 51 -26.864 -9.285 -17.223 1.00 25.15 O ATOM 0 H TYR A 51 -32.362 -10.015 -13.517 1.00 75.44 H new ATOM 0 HA TYR A 51 -31.438 -7.256 -13.699 1.00 15.34 H new ATOM 0 HB2 TYR A 51 -32.751 -9.237 -15.580 1.00 75.31 H new ATOM 0 HB3 TYR A 51 -32.594 -7.545 -16.005 1.00 75.31 H new ATOM 0 HD1 TYR A 51 -30.051 -6.617 -15.466 1.00 50.13 H new ATOM 0 HD2 TYR A 51 -31.097 -10.632 -16.436 1.00 55.02 H new ATOM 0 HE1 TYR A 51 -27.760 -7.023 -16.251 1.00 53.44 H new ATOM 0 HE2 TYR A 51 -28.807 -11.041 -17.218 1.00 62.11 H new ATOM 0 HH TYR A 51 -26.581 -8.548 -17.804 1.00 25.15 H new ATOM 840 N GLY A 52 -34.518 -8.077 -13.120 1.00 23.52 N ATOM 841 CA GLY A 52 -35.830 -7.546 -12.803 1.00 14.11 C ATOM 842 C GLY A 52 -36.923 -8.147 -13.665 1.00 42.21 C ATOM 843 O GLY A 52 -37.287 -9.310 -13.494 1.00 52.43 O ATOM 0 H GLY A 52 -34.396 -9.069 -12.914 1.00 23.52 H new ATOM 0 HA2 GLY A 52 -36.052 -7.738 -11.753 1.00 14.11 H new ATOM 0 HA3 GLY A 52 -35.822 -6.464 -12.934 1.00 14.11 H new ATOM 847 N GLU A 53 -37.447 -7.352 -14.592 1.00 53.25 N ATOM 848 CA GLU A 53 -38.507 -7.813 -15.482 1.00 43.53 C ATOM 849 C GLU A 53 -38.212 -7.421 -16.927 1.00 52.44 C ATOM 850 O GLU A 53 -39.114 -7.366 -17.763 1.00 2.44 O ATOM 851 CB GLU A 53 -39.855 -7.232 -15.050 1.00 22.54 C ATOM 852 CG GLU A 53 -39.821 -5.734 -14.802 1.00 13.22 C ATOM 853 CD GLU A 53 -41.141 -5.060 -15.124 1.00 1.44 C ATOM 854 OE1 GLU A 53 -41.561 -5.109 -16.299 1.00 23.51 O ATOM 855 OE2 GLU A 53 -41.753 -4.482 -14.201 1.00 73.23 O ATOM 0 H GLU A 53 -37.156 -6.387 -14.747 1.00 53.25 H new ATOM 0 HA GLU A 53 -38.551 -8.900 -15.420 1.00 43.53 H new ATOM 0 HB2 GLU A 53 -40.597 -7.448 -15.819 1.00 22.54 H new ATOM 0 HB3 GLU A 53 -40.183 -7.735 -14.140 1.00 22.54 H new ATOM 0 HG2 GLU A 53 -39.567 -5.548 -13.758 1.00 13.22 H new ATOM 0 HG3 GLU A 53 -39.032 -5.287 -15.407 1.00 13.22 H new ATOM 862 N ASN A 54 -36.943 -7.149 -17.214 1.00 11.43 N ATOM 863 CA ASN A 54 -36.529 -6.760 -18.557 1.00 61.41 C ATOM 864 C ASN A 54 -35.043 -7.034 -18.768 1.00 41.44 C ATOM 865 O ASN A 54 -34.218 -6.121 -18.806 1.00 4.35 O ATOM 866 CB ASN A 54 -36.826 -5.279 -18.797 1.00 3.34 C ATOM 867 CG ASN A 54 -38.298 -5.017 -19.047 1.00 33.02 C ATOM 868 OD1 ASN A 54 -39.014 -4.620 -18.001 1.00 21.32 O flip ATOM 869 ND2 ASN A 54 -38.786 -5.170 -20.167 1.00 54.34 N flip ATOM 0 H ASN A 54 -36.184 -7.191 -16.534 1.00 11.43 H new ATOM 0 HA ASN A 54 -37.096 -7.356 -19.272 1.00 61.41 H new ATOM 0 HB2 ASN A 54 -36.499 -4.701 -17.933 1.00 3.34 H new ATOM 0 HB3 ASN A 54 -36.247 -4.929 -19.652 1.00 3.34 H new ATOM 0 HD21 ASN A 54 -38.198 -5.477 -20.942 1.00 54.34 H new ATOM 0 HD22 ASN A 54 -39.778 -4.990 -20.320 1.00 54.34 H new ATOM 876 N PRO A 55 -34.692 -8.320 -18.911 1.00 32.41 N ATOM 877 CA PRO A 55 -33.305 -8.744 -19.122 1.00 61.12 C ATOM 878 C PRO A 55 -32.781 -8.347 -20.498 1.00 24.10 C ATOM 879 O PRO A 55 -33.535 -7.946 -21.384 1.00 71.14 O ATOM 880 CB PRO A 55 -33.376 -10.268 -18.996 1.00 53.05 C ATOM 881 CG PRO A 55 -34.781 -10.612 -19.353 1.00 72.14 C ATOM 882 CD PRO A 55 -35.623 -9.461 -18.877 1.00 52.24 C ATOM 0 HA PRO A 55 -32.623 -8.276 -18.412 1.00 61.12 H new ATOM 0 HB2 PRO A 55 -32.667 -10.754 -19.666 1.00 53.05 H new ATOM 0 HB3 PRO A 55 -33.133 -10.593 -17.984 1.00 53.05 H new ATOM 0 HG2 PRO A 55 -34.887 -10.754 -20.429 1.00 72.14 H new ATOM 0 HG3 PRO A 55 -35.088 -11.543 -18.877 1.00 72.14 H new ATOM 0 HD2 PRO A 55 -36.483 -9.297 -19.526 1.00 52.24 H new ATOM 0 HD3 PRO A 55 -36.010 -9.634 -17.873 1.00 52.24 H new ATOM 890 N PRO A 56 -31.457 -8.461 -20.683 1.00 50.22 N ATOM 891 CA PRO A 56 -30.803 -8.119 -21.950 1.00 22.33 C ATOM 892 C PRO A 56 -31.142 -9.106 -23.062 1.00 0.11 C ATOM 893 O PRO A 56 -31.580 -10.227 -22.800 1.00 42.22 O ATOM 894 CB PRO A 56 -29.312 -8.189 -21.609 1.00 71.41 C ATOM 895 CG PRO A 56 -29.231 -9.130 -20.456 1.00 43.44 C ATOM 896 CD PRO A 56 -30.497 -8.932 -19.671 1.00 14.15 C ATOM 0 HA PRO A 56 -31.124 -7.147 -22.325 1.00 22.33 H new ATOM 0 HB2 PRO A 56 -28.729 -8.550 -22.456 1.00 71.41 H new ATOM 0 HB3 PRO A 56 -28.919 -7.207 -21.347 1.00 71.41 H new ATOM 0 HG2 PRO A 56 -29.142 -10.161 -20.799 1.00 43.44 H new ATOM 0 HG3 PRO A 56 -28.355 -8.921 -19.842 1.00 43.44 H new ATOM 0 HD2 PRO A 56 -30.829 -9.859 -19.203 1.00 14.15 H new ATOM 0 HD3 PRO A 56 -30.364 -8.202 -18.873 1.00 14.15 H new ATOM 904 N THR A 57 -30.937 -8.682 -24.305 1.00 61.54 N ATOM 905 CA THR A 57 -31.222 -9.528 -25.457 1.00 64.35 C ATOM 906 C THR A 57 -30.350 -10.779 -25.450 1.00 42.23 C ATOM 907 O THR A 57 -30.635 -11.750 -26.152 1.00 4.44 O ATOM 908 CB THR A 57 -31.000 -8.770 -26.780 1.00 14.33 C ATOM 909 OG1 THR A 57 -31.334 -9.611 -27.889 1.00 73.31 O ATOM 910 CG2 THR A 57 -29.556 -8.308 -26.904 1.00 13.14 C ATOM 0 H THR A 57 -30.575 -7.758 -24.540 1.00 61.54 H new ATOM 0 HA THR A 57 -32.270 -9.818 -25.384 1.00 64.35 H new ATOM 0 HB THR A 57 -31.647 -7.893 -26.783 1.00 14.33 H new ATOM 0 HG1 THR A 57 -31.192 -9.121 -28.726 1.00 73.31 H new ATOM 0 HG21 THR A 57 -29.424 -7.776 -27.846 1.00 13.14 H new ATOM 0 HG22 THR A 57 -29.314 -7.644 -26.075 1.00 13.14 H new ATOM 0 HG23 THR A 57 -28.894 -9.173 -26.881 1.00 13.14 H new ATOM 918 N SER A 58 -29.287 -10.749 -24.653 1.00 22.01 N ATOM 919 CA SER A 58 -28.371 -11.880 -24.557 1.00 13.10 C ATOM 920 C SER A 58 -28.981 -13.004 -23.725 1.00 14.20 C ATOM 921 O SER A 58 -28.543 -14.152 -23.795 1.00 21.33 O ATOM 922 CB SER A 58 -27.043 -11.437 -23.940 1.00 40.05 C ATOM 923 OG SER A 58 -27.221 -10.307 -23.104 1.00 23.34 O ATOM 0 H SER A 58 -29.039 -9.954 -24.064 1.00 22.01 H new ATOM 0 HA SER A 58 -28.189 -12.255 -25.564 1.00 13.10 H new ATOM 0 HB2 SER A 58 -26.615 -12.257 -23.363 1.00 40.05 H new ATOM 0 HB3 SER A 58 -26.332 -11.199 -24.731 1.00 40.05 H new ATOM 0 HG SER A 58 -26.874 -9.509 -23.554 1.00 23.34 H new ATOM 929 N CYS A 59 -29.996 -12.664 -22.937 1.00 73.33 N ATOM 930 CA CYS A 59 -30.668 -13.642 -22.090 1.00 72.45 C ATOM 931 C CYS A 59 -31.584 -14.540 -22.918 1.00 30.14 C ATOM 932 O CYS A 59 -32.003 -15.605 -22.463 1.00 3.31 O ATOM 933 CB CYS A 59 -31.477 -12.935 -21.001 1.00 71.14 C ATOM 934 SG CYS A 59 -30.550 -12.638 -19.462 1.00 13.34 S ATOM 0 H CYS A 59 -30.371 -11.718 -22.868 1.00 73.33 H new ATOM 0 HA CYS A 59 -29.906 -14.264 -21.620 1.00 72.45 H new ATOM 0 HB2 CYS A 59 -31.832 -11.980 -21.389 1.00 71.14 H new ATOM 0 HB3 CYS A 59 -32.359 -13.533 -20.772 1.00 71.14 H new ATOM 939 N SER A 60 -31.891 -14.103 -24.135 1.00 4.43 N ATOM 940 CA SER A 60 -32.759 -14.864 -25.024 1.00 74.14 C ATOM 941 C SER A 60 -32.133 -15.002 -26.409 1.00 25.35 C ATOM 942 O SER A 60 -31.427 -14.108 -26.876 1.00 23.22 O ATOM 943 CB SER A 60 -34.128 -14.189 -25.137 1.00 5.22 C ATOM 944 OG SER A 60 -34.010 -12.780 -25.043 1.00 11.31 O ATOM 0 H SER A 60 -31.551 -13.225 -24.528 1.00 4.43 H new ATOM 0 HA SER A 60 -32.886 -15.860 -24.600 1.00 74.14 H new ATOM 0 HB2 SER A 60 -34.591 -14.456 -26.087 1.00 5.22 H new ATOM 0 HB3 SER A 60 -34.784 -14.556 -24.348 1.00 5.22 H new ATOM 0 HG SER A 60 -34.898 -12.372 -25.120 1.00 11.31 H new ATOM 950 N LYS A 61 -32.396 -16.130 -27.060 1.00 45.12 N ATOM 951 CA LYS A 61 -31.860 -16.388 -28.392 1.00 3.45 C ATOM 952 C LYS A 61 -32.812 -17.261 -29.202 1.00 14.31 C ATOM 953 O LYS A 61 -33.452 -18.164 -28.663 1.00 11.13 O ATOM 954 CB LYS A 61 -30.491 -17.065 -28.291 1.00 32.14 C ATOM 955 CG LYS A 61 -29.443 -16.458 -29.207 1.00 70.42 C ATOM 956 CD LYS A 61 -29.517 -17.047 -30.606 1.00 34.10 C ATOM 957 CE LYS A 61 -29.130 -18.518 -30.613 1.00 10.00 C ATOM 958 NZ LYS A 61 -28.211 -18.844 -31.738 1.00 62.12 N ATOM 0 H LYS A 61 -32.977 -16.881 -26.687 1.00 45.12 H new ATOM 0 HA LYS A 61 -31.749 -15.432 -28.903 1.00 3.45 H new ATOM 0 HB2 LYS A 61 -30.140 -17.004 -27.261 1.00 32.14 H new ATOM 0 HB3 LYS A 61 -30.600 -18.123 -28.529 1.00 32.14 H new ATOM 0 HG2 LYS A 61 -29.584 -15.378 -29.258 1.00 70.42 H new ATOM 0 HG3 LYS A 61 -28.451 -16.630 -28.791 1.00 70.42 H new ATOM 0 HD2 LYS A 61 -30.528 -16.934 -30.996 1.00 34.10 H new ATOM 0 HD3 LYS A 61 -28.855 -16.492 -31.271 1.00 34.10 H new ATOM 0 HE2 LYS A 61 -28.651 -18.772 -29.667 1.00 10.00 H new ATOM 0 HE3 LYS A 61 -30.029 -19.130 -30.689 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 -27.971 -19.855 -31.708 1.00 62.12 H new ATOM 0 HZ2 LYS A 61 -28.677 -18.626 -32.642 1.00 62.12 H new ATOM 0 HZ3 LYS A 61 -27.342 -18.279 -31.651 1.00 62.12 H new ATOM 972 N ASP A 62 -32.901 -16.986 -30.499 1.00 23.34 N ATOM 973 CA ASP A 62 -33.773 -17.749 -31.384 1.00 15.32 C ATOM 974 C ASP A 62 -35.203 -17.770 -30.851 1.00 61.13 C ATOM 975 O ASP A 62 -35.963 -18.698 -31.123 1.00 34.23 O ATOM 976 CB ASP A 62 -33.253 -19.178 -31.541 1.00 31.32 C ATOM 977 CG ASP A 62 -33.707 -19.821 -32.837 1.00 1.41 C ATOM 978 OD1 ASP A 62 -33.173 -19.447 -33.902 1.00 75.12 O ATOM 979 OD2 ASP A 62 -34.596 -20.696 -32.786 1.00 73.20 O ATOM 0 H ASP A 62 -32.380 -16.240 -30.960 1.00 23.34 H new ATOM 0 HA ASP A 62 -33.774 -17.263 -32.360 1.00 15.32 H new ATOM 0 HB2 ASP A 62 -32.164 -19.171 -31.505 1.00 31.32 H new ATOM 0 HB3 ASP A 62 -33.596 -19.781 -30.700 1.00 31.32 H new ATOM 984 N GLY A 63 -35.561 -16.740 -30.090 1.00 71.40 N ATOM 985 CA GLY A 63 -36.898 -16.661 -29.530 1.00 63.33 C ATOM 986 C GLY A 63 -37.075 -17.561 -28.323 1.00 71.14 C ATOM 987 O GLY A 63 -38.187 -17.995 -28.021 1.00 62.14 O ATOM 0 H GLY A 63 -34.949 -15.959 -29.851 1.00 71.40 H new ATOM 0 HA2 GLY A 63 -37.109 -15.630 -29.245 1.00 63.33 H new ATOM 0 HA3 GLY A 63 -37.625 -16.936 -30.294 1.00 63.33 H new ATOM 991 N VAL A 64 -35.976 -17.844 -27.632 1.00 21.25 N ATOM 992 CA VAL A 64 -36.015 -18.699 -26.451 1.00 4.00 C ATOM 993 C VAL A 64 -35.494 -17.963 -25.222 1.00 4.40 C ATOM 994 O VAL A 64 -34.712 -17.019 -25.337 1.00 61.23 O ATOM 995 CB VAL A 64 -35.185 -19.980 -26.658 1.00 70.12 C ATOM 996 CG1 VAL A 64 -33.730 -19.740 -26.287 1.00 44.11 C ATOM 997 CG2 VAL A 64 -35.768 -21.128 -25.848 1.00 62.44 C ATOM 0 H VAL A 64 -35.048 -17.494 -27.869 1.00 21.25 H new ATOM 0 HA VAL A 64 -37.058 -18.972 -26.293 1.00 4.00 H new ATOM 0 HB VAL A 64 -35.225 -20.252 -27.713 1.00 70.12 H new ATOM 0 HG11 VAL A 64 -33.160 -20.656 -26.440 1.00 44.11 H new ATOM 0 HG12 VAL A 64 -33.320 -18.949 -26.915 1.00 44.11 H new ATOM 0 HG13 VAL A 64 -33.666 -19.443 -25.240 1.00 44.11 H new ATOM 0 HG21 VAL A 64 -35.170 -22.025 -26.006 1.00 62.44 H new ATOM 0 HG22 VAL A 64 -35.760 -20.868 -24.790 1.00 62.44 H new ATOM 0 HG23 VAL A 64 -36.793 -21.315 -26.167 1.00 62.44 H new ATOM 1007 N GLN A 65 -35.932 -18.401 -24.046 1.00 51.23 N ATOM 1008 CA GLN A 65 -35.510 -17.782 -22.795 1.00 64.42 C ATOM 1009 C GLN A 65 -34.605 -18.720 -22.003 1.00 23.11 C ATOM 1010 O GLN A 65 -34.953 -19.875 -21.756 1.00 55.14 O ATOM 1011 CB GLN A 65 -36.728 -17.399 -21.954 1.00 75.31 C ATOM 1012 CG GLN A 65 -36.414 -16.413 -20.841 1.00 41.43 C ATOM 1013 CD GLN A 65 -36.354 -17.071 -19.477 1.00 73.11 C ATOM 1014 OE1 GLN A 65 -37.234 -17.851 -19.112 1.00 75.25 O ATOM 1015 NE2 GLN A 65 -35.313 -16.760 -18.714 1.00 62.03 N ATOM 0 H GLN A 65 -36.579 -19.182 -23.933 1.00 51.23 H new ATOM 0 HA GLN A 65 -34.947 -16.880 -23.037 1.00 64.42 H new ATOM 0 HB2 GLN A 65 -37.488 -16.968 -22.606 1.00 75.31 H new ATOM 0 HB3 GLN A 65 -37.156 -18.302 -21.518 1.00 75.31 H new ATOM 0 HG2 GLN A 65 -35.460 -15.929 -21.049 1.00 41.43 H new ATOM 0 HG3 GLN A 65 -37.173 -15.631 -20.829 1.00 41.43 H new ATOM 0 HE21 GLN A 65 -34.606 -16.109 -19.056 1.00 62.03 H new ATOM 0 HE22 GLN A 65 -35.220 -17.172 -17.786 1.00 62.03 H new ATOM 1024 N PHE A 66 -33.441 -18.216 -21.607 1.00 23.24 N ATOM 1025 CA PHE A 66 -32.484 -19.009 -20.843 1.00 35.30 C ATOM 1026 C PHE A 66 -32.816 -18.976 -19.354 1.00 14.00 C ATOM 1027 O PHE A 66 -32.614 -17.963 -18.683 1.00 33.31 O ATOM 1028 CB PHE A 66 -31.063 -18.492 -21.072 1.00 23.22 C ATOM 1029 CG PHE A 66 -30.613 -18.587 -22.502 1.00 14.31 C ATOM 1030 CD1 PHE A 66 -30.864 -19.728 -23.246 1.00 62.15 C ATOM 1031 CD2 PHE A 66 -29.941 -17.534 -23.102 1.00 31.13 C ATOM 1032 CE1 PHE A 66 -30.451 -19.818 -24.562 1.00 44.13 C ATOM 1033 CE2 PHE A 66 -29.526 -17.618 -24.417 1.00 41.04 C ATOM 1034 CZ PHE A 66 -29.782 -18.761 -25.149 1.00 20.11 C ATOM 0 H PHE A 66 -33.137 -17.262 -21.802 1.00 23.24 H new ATOM 0 HA PHE A 66 -32.548 -20.041 -21.188 1.00 35.30 H new ATOM 0 HB2 PHE A 66 -31.007 -17.452 -20.750 1.00 23.22 H new ATOM 0 HB3 PHE A 66 -30.374 -19.057 -20.444 1.00 23.22 H new ATOM 0 HD1 PHE A 66 -31.388 -20.556 -22.793 1.00 62.15 H new ATOM 0 HD2 PHE A 66 -29.739 -16.637 -22.535 1.00 31.13 H new ATOM 0 HE1 PHE A 66 -30.651 -20.714 -25.131 1.00 44.13 H new ATOM 0 HE2 PHE A 66 -29.002 -16.791 -24.872 1.00 41.04 H new ATOM 0 HZ PHE A 66 -29.460 -18.828 -26.178 1.00 20.11 H new ATOM 1044 N THR A 67 -33.328 -20.091 -18.843 1.00 33.34 N ATOM 1045 CA THR A 67 -33.690 -20.191 -17.434 1.00 54.44 C ATOM 1046 C THR A 67 -32.564 -20.816 -16.620 1.00 2.22 C ATOM 1047 O THR A 67 -32.802 -21.410 -15.569 1.00 70.00 O ATOM 1048 CB THR A 67 -34.972 -21.024 -17.241 1.00 44.52 C ATOM 1049 OG1 THR A 67 -34.853 -22.272 -17.932 1.00 71.12 O ATOM 1050 CG2 THR A 67 -36.190 -20.269 -17.752 1.00 42.01 C ATOM 0 H THR A 67 -33.502 -20.938 -19.384 1.00 33.34 H new ATOM 0 HA THR A 67 -33.869 -19.175 -17.081 1.00 54.44 H new ATOM 0 HB THR A 67 -35.101 -21.210 -16.175 1.00 44.52 H new ATOM 0 HG1 THR A 67 -35.671 -22.796 -17.803 1.00 71.12 H new ATOM 0 HG21 THR A 67 -37.083 -20.877 -17.605 1.00 42.01 H new ATOM 0 HG22 THR A 67 -36.294 -19.333 -17.204 1.00 42.01 H new ATOM 0 HG23 THR A 67 -36.067 -20.056 -18.814 1.00 42.01 H new ATOM 1058 N GLU A 68 -31.336 -20.677 -17.112 1.00 15.15 N ATOM 1059 CA GLU A 68 -30.173 -21.229 -16.427 1.00 72.24 C ATOM 1060 C GLU A 68 -29.207 -20.122 -16.017 1.00 2.20 C ATOM 1061 O GLU A 68 -28.727 -19.359 -16.855 1.00 34.22 O ATOM 1062 CB GLU A 68 -29.457 -22.239 -17.327 1.00 2.14 C ATOM 1063 CG GLU A 68 -30.348 -23.376 -17.796 1.00 35.22 C ATOM 1064 CD GLU A 68 -29.691 -24.231 -18.862 1.00 55.22 C ATOM 1065 OE1 GLU A 68 -28.670 -23.791 -19.430 1.00 10.01 O ATOM 1066 OE2 GLU A 68 -30.199 -25.340 -19.129 1.00 34.34 O ATOM 0 H GLU A 68 -31.122 -20.188 -17.981 1.00 15.15 H new ATOM 0 HA GLU A 68 -30.519 -21.736 -15.527 1.00 72.24 H new ATOM 0 HB2 GLU A 68 -29.059 -21.718 -18.198 1.00 2.14 H new ATOM 0 HB3 GLU A 68 -28.606 -22.655 -16.787 1.00 2.14 H new ATOM 0 HG2 GLU A 68 -30.610 -24.003 -16.943 1.00 35.22 H new ATOM 0 HG3 GLU A 68 -31.279 -22.965 -18.188 1.00 35.22 H new ATOM 1073 N GLY A 69 -28.926 -20.040 -14.720 1.00 20.02 N ATOM 1074 CA GLY A 69 -28.019 -19.023 -14.220 1.00 33.22 C ATOM 1075 C GLY A 69 -26.653 -19.093 -14.872 1.00 61.32 C ATOM 1076 O GLY A 69 -26.370 -20.013 -15.641 1.00 0.22 O ATOM 0 H GLY A 69 -29.310 -20.660 -14.007 1.00 20.02 H new ATOM 0 HA2 GLY A 69 -28.451 -18.038 -14.394 1.00 33.22 H new ATOM 0 HA3 GLY A 69 -27.910 -19.137 -13.141 1.00 33.22 H new ATOM 1080 N CYS A 70 -25.803 -18.118 -14.568 1.00 22.55 N ATOM 1081 CA CYS A 70 -24.459 -18.071 -15.131 1.00 31.11 C ATOM 1082 C CYS A 70 -23.442 -18.668 -14.162 1.00 61.05 C ATOM 1083 O CYS A 70 -22.555 -19.422 -14.565 1.00 35.35 O ATOM 1084 CB CYS A 70 -24.075 -16.629 -15.467 1.00 3.25 C ATOM 1085 SG CYS A 70 -24.676 -16.057 -17.088 1.00 62.34 S ATOM 0 H CYS A 70 -26.021 -17.349 -13.934 1.00 22.55 H new ATOM 0 HA CYS A 70 -24.454 -18.664 -16.046 1.00 31.11 H new ATOM 0 HB2 CYS A 70 -24.468 -15.970 -14.693 1.00 3.25 H new ATOM 0 HB3 CYS A 70 -22.989 -16.538 -15.442 1.00 3.25 H new ATOM 1090 N ILE A 71 -23.577 -18.325 -12.886 1.00 21.11 N ATOM 1091 CA ILE A 71 -22.671 -18.828 -11.861 1.00 11.15 C ATOM 1092 C ILE A 71 -22.580 -20.349 -11.906 1.00 21.44 C ATOM 1093 O ILE A 71 -21.489 -20.918 -11.874 1.00 24.53 O ATOM 1094 CB ILE A 71 -23.118 -18.393 -10.452 1.00 72.23 C ATOM 1095 CG1 ILE A 71 -23.150 -16.867 -10.352 1.00 40.30 C ATOM 1096 CG2 ILE A 71 -22.191 -18.979 -9.398 1.00 33.42 C ATOM 1097 CD1 ILE A 71 -24.048 -16.352 -9.249 1.00 21.22 C ATOM 0 H ILE A 71 -24.305 -17.701 -12.537 1.00 21.11 H new ATOM 0 HA ILE A 71 -21.690 -18.402 -12.070 1.00 11.15 H new ATOM 0 HB ILE A 71 -24.125 -18.771 -10.273 1.00 72.23 H new ATOM 0 HG12 ILE A 71 -22.137 -16.501 -10.185 1.00 40.30 H new ATOM 0 HG13 ILE A 71 -23.485 -16.456 -11.304 1.00 40.30 H new ATOM 0 HG21 ILE A 71 -22.520 -18.663 -8.408 1.00 33.42 H new ATOM 0 HG22 ILE A 71 -22.214 -20.067 -9.458 1.00 33.42 H new ATOM 0 HG23 ILE A 71 -21.174 -18.628 -9.572 1.00 33.42 H new ATOM 0 HD11 ILE A 71 -24.021 -15.262 -9.237 1.00 21.22 H new ATOM 0 HD12 ILE A 71 -25.070 -16.688 -9.425 1.00 21.22 H new ATOM 0 HD13 ILE A 71 -23.701 -16.734 -8.289 1.00 21.22 H new ATOM 1109 N LYS A 72 -23.734 -21.004 -11.982 1.00 2.31 N ATOM 1110 CA LYS A 72 -23.786 -22.460 -12.035 1.00 11.11 C ATOM 1111 C LYS A 72 -23.333 -22.971 -13.399 1.00 30.33 C ATOM 1112 O LYS A 72 -22.614 -23.966 -13.493 1.00 32.42 O ATOM 1113 CB LYS A 72 -25.205 -22.951 -11.740 1.00 53.21 C ATOM 1114 CG LYS A 72 -26.263 -22.325 -12.633 1.00 31.23 C ATOM 1115 CD LYS A 72 -26.731 -23.294 -13.706 1.00 44.53 C ATOM 1116 CE LYS A 72 -28.241 -23.246 -13.881 1.00 1.43 C ATOM 1117 NZ LYS A 72 -28.790 -24.556 -14.325 1.00 62.45 N ATOM 0 H LYS A 72 -24.646 -20.549 -12.008 1.00 2.31 H new ATOM 0 HA LYS A 72 -23.108 -22.851 -11.277 1.00 11.11 H new ATOM 0 HB2 LYS A 72 -25.237 -24.034 -11.857 1.00 53.21 H new ATOM 0 HB3 LYS A 72 -25.446 -22.735 -10.699 1.00 53.21 H new ATOM 0 HG2 LYS A 72 -27.114 -22.013 -12.027 1.00 31.23 H new ATOM 0 HG3 LYS A 72 -25.860 -21.428 -13.102 1.00 31.23 H new ATOM 0 HD2 LYS A 72 -26.246 -23.053 -14.652 1.00 44.53 H new ATOM 0 HD3 LYS A 72 -26.426 -24.307 -13.441 1.00 44.53 H new ATOM 0 HE2 LYS A 72 -28.707 -22.958 -12.939 1.00 1.43 H new ATOM 0 HE3 LYS A 72 -28.498 -22.479 -14.611 1.00 1.43 H new ATOM 0 HZ1 LYS A 72 -29.822 -24.482 -14.433 1.00 62.45 H new ATOM 0 HZ2 LYS A 72 -28.365 -24.819 -15.237 1.00 62.45 H new ATOM 0 HZ3 LYS A 72 -28.568 -25.284 -13.616 1.00 62.45 H new ATOM 1131 N LYS A 73 -23.757 -22.284 -14.454 1.00 3.21 N ATOM 1132 CA LYS A 73 -23.393 -22.666 -15.813 1.00 43.01 C ATOM 1133 C LYS A 73 -21.878 -22.659 -15.993 1.00 70.20 C ATOM 1134 O LYS A 73 -21.317 -23.537 -16.649 1.00 2.10 O ATOM 1135 CB LYS A 73 -24.041 -21.716 -16.823 1.00 31.32 C ATOM 1136 CG LYS A 73 -25.367 -22.220 -17.366 1.00 51.45 C ATOM 1137 CD LYS A 73 -25.172 -23.086 -18.600 1.00 4.44 C ATOM 1138 CE LYS A 73 -24.915 -24.538 -18.226 1.00 51.51 C ATOM 1139 NZ LYS A 73 -25.335 -25.471 -19.308 1.00 31.03 N ATOM 0 H LYS A 73 -24.354 -21.459 -14.394 1.00 3.21 H new ATOM 0 HA LYS A 73 -23.758 -23.678 -15.989 1.00 43.01 H new ATOM 0 HB2 LYS A 73 -24.196 -20.747 -16.350 1.00 31.32 H new ATOM 0 HB3 LYS A 73 -23.354 -21.558 -17.654 1.00 31.32 H new ATOM 0 HG2 LYS A 73 -25.882 -22.794 -16.596 1.00 51.45 H new ATOM 0 HG3 LYS A 73 -26.006 -21.372 -17.613 1.00 51.45 H new ATOM 0 HD2 LYS A 73 -26.057 -23.023 -19.234 1.00 4.44 H new ATOM 0 HD3 LYS A 73 -24.334 -22.706 -19.184 1.00 4.44 H new ATOM 0 HE2 LYS A 73 -23.854 -24.677 -18.018 1.00 51.51 H new ATOM 0 HE3 LYS A 73 -25.454 -24.778 -17.310 1.00 51.51 H new ATOM 0 HZ1 LYS A 73 -25.144 -26.451 -19.015 1.00 31.03 H new ATOM 0 HZ2 LYS A 73 -26.353 -25.356 -19.490 1.00 31.03 H new ATOM 0 HZ3 LYS A 73 -24.802 -25.259 -20.176 1.00 31.03 H new ATOM 1153 N VAL A 74 -21.221 -21.664 -15.405 1.00 71.22 N ATOM 1154 CA VAL A 74 -19.771 -21.545 -15.499 1.00 30.14 C ATOM 1155 C VAL A 74 -19.077 -22.641 -14.698 1.00 2.03 C ATOM 1156 O VAL A 74 -17.976 -23.072 -15.041 1.00 30.14 O ATOM 1157 CB VAL A 74 -19.287 -20.172 -14.996 1.00 31.05 C ATOM 1158 CG1 VAL A 74 -17.769 -20.090 -15.043 1.00 70.42 C ATOM 1159 CG2 VAL A 74 -19.915 -19.054 -15.813 1.00 54.24 C ATOM 0 H VAL A 74 -21.670 -20.929 -14.859 1.00 71.22 H new ATOM 0 HA VAL A 74 -19.512 -21.650 -16.553 1.00 30.14 H new ATOM 0 HB VAL A 74 -19.601 -20.054 -13.959 1.00 31.05 H new ATOM 0 HG11 VAL A 74 -17.446 -19.113 -14.684 1.00 70.42 H new ATOM 0 HG12 VAL A 74 -17.343 -20.868 -14.410 1.00 70.42 H new ATOM 0 HG13 VAL A 74 -17.429 -20.230 -16.069 1.00 70.42 H new ATOM 0 HG21 VAL A 74 -19.562 -18.091 -15.444 1.00 54.24 H new ATOM 0 HG22 VAL A 74 -19.634 -19.166 -16.860 1.00 54.24 H new ATOM 0 HG23 VAL A 74 -21.000 -19.102 -15.722 1.00 54.24 H new ATOM 1169 N SER A 75 -19.728 -23.088 -13.629 1.00 32.12 N ATOM 1170 CA SER A 75 -19.172 -24.132 -12.776 1.00 72.32 C ATOM 1171 C SER A 75 -19.026 -25.442 -13.546 1.00 12.52 C ATOM 1172 O SER A 75 -18.094 -26.211 -13.313 1.00 4.34 O ATOM 1173 CB SER A 75 -20.061 -24.345 -11.549 1.00 62.11 C ATOM 1174 OG SER A 75 -19.519 -25.336 -10.693 1.00 2.53 O ATOM 0 H SER A 75 -20.641 -22.743 -13.333 1.00 32.12 H new ATOM 0 HA SER A 75 -18.183 -23.811 -12.448 1.00 72.32 H new ATOM 0 HB2 SER A 75 -20.165 -23.407 -11.004 1.00 62.11 H new ATOM 0 HB3 SER A 75 -21.060 -24.642 -11.867 1.00 62.11 H new ATOM 0 HG SER A 75 -20.104 -25.453 -9.916 1.00 2.53 H new ATOM 1180 N ASP A 76 -19.955 -25.687 -14.464 1.00 24.44 N ATOM 1181 CA ASP A 76 -19.930 -26.903 -15.269 1.00 52.33 C ATOM 1182 C ASP A 76 -18.630 -27.004 -16.061 1.00 53.54 C ATOM 1183 O ASP A 76 -17.911 -28.000 -15.971 1.00 54.41 O ATOM 1184 CB ASP A 76 -21.126 -26.933 -16.222 1.00 52.51 C ATOM 1185 CG ASP A 76 -21.593 -28.343 -16.521 1.00 34.51 C ATOM 1186 OD1 ASP A 76 -21.508 -29.201 -15.617 1.00 31.12 O ATOM 1187 OD2 ASP A 76 -22.045 -28.590 -17.659 1.00 11.04 O ATOM 0 H ASP A 76 -20.734 -25.061 -14.669 1.00 24.44 H new ATOM 0 HA ASP A 76 -19.991 -27.757 -14.595 1.00 52.33 H new ATOM 0 HB2 ASP A 76 -21.948 -26.366 -15.786 1.00 52.51 H new ATOM 0 HB3 ASP A 76 -20.856 -26.437 -17.155 1.00 52.51 H new ATOM 1192 N LEU A 77 -18.335 -25.967 -16.838 1.00 71.11 N ATOM 1193 CA LEU A 77 -17.122 -25.939 -17.648 1.00 1.22 C ATOM 1194 C LEU A 77 -15.892 -25.703 -16.777 1.00 63.43 C ATOM 1195 O LEU A 77 -14.813 -26.227 -17.055 1.00 61.11 O ATOM 1196 CB LEU A 77 -17.222 -24.847 -18.715 1.00 34.15 C ATOM 1197 CG LEU A 77 -16.950 -23.419 -18.241 1.00 44.01 C ATOM 1198 CD1 LEU A 77 -15.473 -23.084 -18.379 1.00 4.03 C ATOM 1199 CD2 LEU A 77 -17.798 -22.427 -19.023 1.00 15.24 C ATOM 0 H LEU A 77 -18.919 -25.135 -16.924 1.00 71.11 H new ATOM 0 HA LEU A 77 -17.019 -26.908 -18.137 1.00 1.22 H new ATOM 0 HB2 LEU A 77 -16.520 -25.083 -19.515 1.00 34.15 H new ATOM 0 HB3 LEU A 77 -18.222 -24.881 -19.148 1.00 34.15 H new ATOM 0 HG LEU A 77 -17.222 -23.348 -17.188 1.00 44.01 H new ATOM 0 HD11 LEU A 77 -15.298 -22.064 -18.037 1.00 4.03 H new ATOM 0 HD12 LEU A 77 -14.885 -23.775 -17.775 1.00 4.03 H new ATOM 0 HD13 LEU A 77 -15.176 -23.172 -19.424 1.00 4.03 H new ATOM 0 HD21 LEU A 77 -17.591 -21.416 -18.672 1.00 15.24 H new ATOM 0 HD22 LEU A 77 -17.557 -22.499 -20.084 1.00 15.24 H new ATOM 0 HD23 LEU A 77 -18.854 -22.654 -18.874 1.00 15.24 H new ATOM 1211 N SER A 78 -16.062 -24.914 -15.722 1.00 13.14 N ATOM 1212 CA SER A 78 -14.966 -24.608 -14.811 1.00 5.22 C ATOM 1213 C SER A 78 -14.429 -25.879 -14.160 1.00 61.21 C ATOM 1214 O SER A 78 -13.222 -26.035 -13.976 1.00 5.34 O ATOM 1215 CB SER A 78 -15.429 -23.626 -13.733 1.00 23.02 C ATOM 1216 OG SER A 78 -14.370 -23.304 -12.847 1.00 51.05 O ATOM 0 H SER A 78 -16.949 -24.475 -15.477 1.00 13.14 H new ATOM 0 HA SER A 78 -14.164 -24.150 -15.389 1.00 5.22 H new ATOM 0 HB2 SER A 78 -15.804 -22.716 -14.202 1.00 23.02 H new ATOM 0 HB3 SER A 78 -16.257 -24.060 -13.173 1.00 23.02 H new ATOM 0 HG SER A 78 -14.691 -22.674 -12.169 1.00 51.05 H new ATOM 1222 N LYS A 79 -15.335 -26.787 -13.814 1.00 13.12 N ATOM 1223 CA LYS A 79 -14.956 -28.046 -13.185 1.00 20.35 C ATOM 1224 C LYS A 79 -14.848 -29.161 -14.220 1.00 43.01 C ATOM 1225 O LYS A 79 -15.145 -30.320 -13.932 1.00 13.32 O ATOM 1226 CB LYS A 79 -15.976 -28.431 -12.110 1.00 41.13 C ATOM 1227 CG LYS A 79 -15.893 -27.575 -10.859 1.00 10.34 C ATOM 1228 CD LYS A 79 -17.201 -27.590 -10.085 1.00 41.52 C ATOM 1229 CE LYS A 79 -17.447 -28.941 -9.433 1.00 34.32 C ATOM 1230 NZ LYS A 79 -18.540 -28.879 -8.423 1.00 52.22 N ATOM 0 H LYS A 79 -16.338 -26.674 -13.959 1.00 13.12 H new ATOM 0 HA LYS A 79 -13.980 -27.911 -12.719 1.00 20.35 H new ATOM 0 HB2 LYS A 79 -16.979 -28.352 -12.528 1.00 41.13 H new ATOM 0 HB3 LYS A 79 -15.826 -29.475 -11.836 1.00 41.13 H new ATOM 0 HG2 LYS A 79 -15.088 -27.939 -10.221 1.00 10.34 H new ATOM 0 HG3 LYS A 79 -15.644 -26.550 -11.134 1.00 10.34 H new ATOM 0 HD2 LYS A 79 -17.181 -26.814 -9.320 1.00 41.52 H new ATOM 0 HD3 LYS A 79 -18.026 -27.354 -10.757 1.00 41.52 H new ATOM 0 HE2 LYS A 79 -17.702 -29.673 -10.199 1.00 34.32 H new ATOM 0 HE3 LYS A 79 -16.530 -29.286 -8.955 1.00 34.32 H new ATOM 0 HZ1 LYS A 79 -18.677 -29.820 -8.001 1.00 52.22 H new ATOM 0 HZ2 LYS A 79 -18.286 -28.199 -7.678 1.00 52.22 H new ATOM 0 HZ3 LYS A 79 -19.421 -28.575 -8.884 1.00 52.22 H new ATOM 1244 N ALA A 80 -14.419 -28.803 -15.426 1.00 3.32 N ATOM 1245 CA ALA A 80 -14.268 -29.774 -16.503 1.00 2.54 C ATOM 1246 C ALA A 80 -13.203 -30.811 -16.162 1.00 11.44 C ATOM 1247 O ALA A 80 -12.188 -30.492 -15.541 1.00 71.22 O ATOM 1248 CB ALA A 80 -13.922 -29.067 -17.805 1.00 64.41 C ATOM 0 H ALA A 80 -14.170 -27.848 -15.682 1.00 3.32 H new ATOM 0 HA ALA A 80 -15.218 -30.295 -16.626 1.00 2.54 H new ATOM 0 HB1 ALA A 80 -13.812 -29.804 -18.601 1.00 64.41 H new ATOM 0 HB2 ALA A 80 -14.719 -28.370 -18.063 1.00 64.41 H new ATOM 0 HB3 ALA A 80 -12.987 -28.520 -17.685 1.00 64.41 H new ATOM 1254 N HIS A 81 -13.441 -32.053 -16.570 1.00 53.11 N ATOM 1255 CA HIS A 81 -12.502 -33.137 -16.307 1.00 60.43 C ATOM 1256 C HIS A 81 -12.575 -34.197 -17.403 1.00 43.40 C ATOM 1257 O HIS A 81 -13.468 -34.166 -18.251 1.00 24.14 O ATOM 1258 CB HIS A 81 -12.792 -33.773 -14.947 1.00 62.13 C ATOM 1259 CG HIS A 81 -14.073 -34.548 -14.909 1.00 50.11 C ATOM 1260 ND1 HIS A 81 -14.119 -35.920 -14.779 1.00 52.11 N ATOM 1261 CD2 HIS A 81 -15.360 -34.135 -14.983 1.00 41.10 C ATOM 1262 CE1 HIS A 81 -15.379 -36.318 -14.776 1.00 50.55 C ATOM 1263 NE2 HIS A 81 -16.152 -35.253 -14.898 1.00 70.54 N ATOM 0 H HIS A 81 -14.276 -32.334 -17.084 1.00 53.11 H new ATOM 0 HA HIS A 81 -11.496 -32.718 -16.297 1.00 60.43 H new ATOM 0 HB2 HIS A 81 -11.968 -34.436 -14.682 1.00 62.13 H new ATOM 0 HB3 HIS A 81 -12.828 -32.990 -14.189 1.00 62.13 H new ATOM 0 HD2 HIS A 81 -15.700 -33.116 -15.089 1.00 41.10 H new ATOM 0 HE1 HIS A 81 -15.719 -37.339 -14.689 1.00 50.55 H new ATOM 0 HE2 HIS A 81 -17.172 -35.261 -14.925 1.00 70.54 H new TER 1272 HIS A 81