USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 720 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 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 10 GLN : amide:sc= -0.378 K(o=-0.38,f=-1.5!) USER MOD Set 2.2: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.58 K(o=-1.6,f=-6.1!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -139:sc= -0.354 (180deg=-2.07!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0242 X(o=-0.024,f=0.25) USER MOD Single : A 21 GLN : amide:sc=-0.00581 X(o=-0.0058,f=-0.37) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.54) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 15:sc= 0.0111 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -44:sc= -0.892 USER MOD Single : A 47 ASN : amide:sc= -1.06 K(o=-1.1,f=-1.6) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -137:sc= 0.619 (180deg=-0.23) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.197! K(o=-0.2!,f=-0.86) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -132:sc= -0.244 (180deg=-1.09) USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.142) USER MOD Single : A 70 LYS NZ :NH3+ 152:sc= 0.26 (180deg=0.0964) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -115:sc= -0.281 (180deg=-1.67!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0113 USER MOD Single : A 81 MET CE :methyl 145:sc= -0.0848 (180deg=-2.09!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 SER OG : rot 48:sc= 0.972 USER MOD Single : A 89 SER OG : rot 24:sc= 0.107 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.427 34.242 15.788 1.00 0.00 N ATOM 2 CA GLY A 1 22.273 34.164 14.348 1.00 0.00 C ATOM 3 C GLY A 1 23.498 33.592 13.664 1.00 0.00 C ATOM 4 O GLY A 1 24.559 34.217 13.651 1.00 0.00 O ATOM 0 H1 GLY A 1 21.563 34.639 16.209 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.592 33.290 16.172 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.237 34.853 16.018 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.407 33.546 14.111 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.072 35.160 13.953 1.00 0.00 H new ATOM 8 N SER A 2 23.355 32.400 13.095 1.00 0.00 N ATOM 9 CA SER A 2 24.461 31.741 12.410 1.00 0.00 C ATOM 10 C SER A 2 23.966 30.982 11.183 1.00 0.00 C ATOM 11 O SER A 2 22.778 30.681 11.062 1.00 0.00 O ATOM 12 CB SER A 2 25.178 30.782 13.362 1.00 0.00 C ATOM 13 OG SER A 2 24.357 29.672 13.683 1.00 0.00 O ATOM 0 H SER A 2 22.483 31.870 13.095 1.00 0.00 H new ATOM 0 HA SER A 2 25.162 32.509 12.082 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.103 30.433 12.903 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.454 31.310 14.275 1.00 0.00 H new ATOM 0 HG SER A 2 24.839 29.074 14.291 1.00 0.00 H new ATOM 19 N SER A 3 24.886 30.675 10.274 1.00 0.00 N ATOM 20 CA SER A 3 24.543 29.955 9.053 1.00 0.00 C ATOM 21 C SER A 3 25.776 29.283 8.455 1.00 0.00 C ATOM 22 O SER A 3 26.805 29.923 8.244 1.00 0.00 O ATOM 23 CB SER A 3 23.922 30.908 8.030 1.00 0.00 C ATOM 24 OG SER A 3 23.580 30.223 6.837 1.00 0.00 O ATOM 0 H SER A 3 25.874 30.913 10.360 1.00 0.00 H new ATOM 0 HA SER A 3 23.816 29.184 9.308 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.032 31.372 8.454 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.623 31.711 7.804 1.00 0.00 H new ATOM 0 HG SER A 3 23.184 30.853 6.200 1.00 0.00 H new ATOM 30 N GLY A 4 25.662 27.986 8.185 1.00 0.00 N ATOM 31 CA GLY A 4 26.774 27.247 7.614 1.00 0.00 C ATOM 32 C GLY A 4 26.323 26.012 6.860 1.00 0.00 C ATOM 33 O GLY A 4 25.357 25.356 7.251 1.00 0.00 O ATOM 0 H GLY A 4 24.821 27.434 8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.331 27.898 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.458 26.953 8.410 1.00 0.00 H new ATOM 37 N SER A 5 27.022 25.694 5.775 1.00 0.00 N ATOM 38 CA SER A 5 26.685 24.532 4.962 1.00 0.00 C ATOM 39 C SER A 5 27.854 23.554 4.899 1.00 0.00 C ATOM 40 O SER A 5 28.979 23.935 4.574 1.00 0.00 O ATOM 41 CB SER A 5 26.294 24.969 3.548 1.00 0.00 C ATOM 42 OG SER A 5 24.955 25.430 3.509 1.00 0.00 O ATOM 0 H SER A 5 27.825 26.225 5.439 1.00 0.00 H new ATOM 0 HA SER A 5 25.838 24.028 5.427 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.964 25.759 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.414 24.133 2.859 1.00 0.00 H new ATOM 0 HG SER A 5 24.730 25.705 2.596 1.00 0.00 H new ATOM 48 N SER A 6 27.580 22.292 5.212 1.00 0.00 N ATOM 49 CA SER A 6 28.609 21.259 5.196 1.00 0.00 C ATOM 50 C SER A 6 28.647 20.551 3.845 1.00 0.00 C ATOM 51 O SER A 6 29.703 20.423 3.228 1.00 0.00 O ATOM 52 CB SER A 6 28.358 20.242 6.311 1.00 0.00 C ATOM 53 OG SER A 6 28.881 20.699 7.546 1.00 0.00 O ATOM 0 H SER A 6 26.654 21.960 5.480 1.00 0.00 H new ATOM 0 HA SER A 6 29.573 21.739 5.362 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.287 20.063 6.410 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.817 19.289 6.048 1.00 0.00 H new ATOM 0 HG SER A 6 28.706 20.032 8.242 1.00 0.00 H new ATOM 59 N GLY A 7 27.484 20.094 3.391 1.00 0.00 N ATOM 60 CA GLY A 7 27.405 19.404 2.117 1.00 0.00 C ATOM 61 C GLY A 7 26.036 18.801 1.868 1.00 0.00 C ATOM 62 O GLY A 7 25.509 18.073 2.708 1.00 0.00 O ATOM 0 H GLY A 7 26.595 20.189 3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.643 20.102 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 7 28.157 18.615 2.087 1.00 0.00 H new ATOM 66 N ASP A 8 25.459 19.106 0.711 1.00 0.00 N ATOM 67 CA ASP A 8 24.143 18.589 0.353 1.00 0.00 C ATOM 68 C ASP A 8 24.266 17.363 -0.546 1.00 0.00 C ATOM 69 O ASP A 8 23.682 16.316 -0.268 1.00 0.00 O ATOM 70 CB ASP A 8 23.320 19.671 -0.348 1.00 0.00 C ATOM 71 CG ASP A 8 23.068 20.874 0.541 1.00 0.00 C ATOM 72 OD1 ASP A 8 22.103 20.834 1.332 1.00 0.00 O ATOM 73 OD2 ASP A 8 23.836 21.853 0.445 1.00 0.00 O ATOM 0 H ASP A 8 25.882 19.709 0.005 1.00 0.00 H new ATOM 0 HA ASP A 8 23.634 18.294 1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 8 23.841 19.992 -1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 8 22.366 19.250 -0.664 1.00 0.00 H new ATOM 78 N SER A 9 25.029 17.502 -1.626 1.00 0.00 N ATOM 79 CA SER A 9 25.225 16.408 -2.570 1.00 0.00 C ATOM 80 C SER A 9 23.886 15.888 -3.084 1.00 0.00 C ATOM 81 O SER A 9 23.682 14.680 -3.204 1.00 0.00 O ATOM 82 CB SER A 9 26.006 15.271 -1.909 1.00 0.00 C ATOM 83 OG SER A 9 27.346 15.654 -1.652 1.00 0.00 O ATOM 0 H SER A 9 25.521 18.362 -1.869 1.00 0.00 H new ATOM 0 HA SER A 9 25.797 16.789 -3.416 1.00 0.00 H new ATOM 0 HB2 SER A 9 25.520 14.987 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 9 25.993 14.393 -2.555 1.00 0.00 H new ATOM 0 HG SER A 9 27.823 14.910 -1.228 1.00 0.00 H new ATOM 89 N GLN A 10 22.977 16.810 -3.387 1.00 0.00 N ATOM 90 CA GLN A 10 21.658 16.445 -3.888 1.00 0.00 C ATOM 91 C GLN A 10 21.770 15.538 -5.109 1.00 0.00 C ATOM 92 O GLN A 10 22.636 15.732 -5.960 1.00 0.00 O ATOM 93 CB GLN A 10 20.859 17.701 -4.243 1.00 0.00 C ATOM 94 CG GLN A 10 19.378 17.437 -4.466 1.00 0.00 C ATOM 95 CD GLN A 10 18.581 17.462 -3.177 1.00 0.00 C ATOM 96 OE1 GLN A 10 19.135 17.650 -2.094 1.00 0.00 O ATOM 97 NE2 GLN A 10 17.271 17.271 -3.288 1.00 0.00 N ATOM 0 H GLN A 10 23.130 17.814 -3.294 1.00 0.00 H new ATOM 0 HA GLN A 10 21.136 15.900 -3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 10 20.973 18.432 -3.443 1.00 0.00 H new ATOM 0 HB3 GLN A 10 21.280 18.147 -5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 10 18.978 18.185 -5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 10 19.254 16.467 -4.947 1.00 0.00 H new ATOM 0 HE21 GLN A 10 16.854 17.119 -4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.682 17.277 -2.455 1.00 0.00 H new ATOM 106 N ASN A 11 20.889 14.546 -5.186 1.00 0.00 N ATOM 107 CA ASN A 11 20.891 13.607 -6.302 1.00 0.00 C ATOM 108 C ASN A 11 20.244 14.229 -7.536 1.00 0.00 C ATOM 109 O ASN A 11 19.577 15.259 -7.448 1.00 0.00 O ATOM 110 CB ASN A 11 20.152 12.324 -5.917 1.00 0.00 C ATOM 111 CG ASN A 11 18.666 12.549 -5.718 1.00 0.00 C ATOM 112 OD1 ASN A 11 17.867 12.341 -6.632 1.00 0.00 O ATOM 113 ND2 ASN A 11 18.288 12.977 -4.519 1.00 0.00 N ATOM 0 H ASN A 11 20.165 14.372 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 11 21.927 13.364 -6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.302 11.575 -6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.582 11.922 -4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.301 13.147 -4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.985 13.136 -3.791 1.00 0.00 H new ATOM 120 N ALA A 12 20.446 13.594 -8.686 1.00 0.00 N ATOM 121 CA ALA A 12 19.881 14.083 -9.938 1.00 0.00 C ATOM 122 C ALA A 12 18.475 13.533 -10.157 1.00 0.00 C ATOM 123 O ALA A 12 17.567 14.263 -10.553 1.00 0.00 O ATOM 124 CB ALA A 12 20.783 13.711 -11.105 1.00 0.00 C ATOM 0 H ALA A 12 20.996 12.740 -8.777 1.00 0.00 H new ATOM 0 HA ALA A 12 19.813 15.169 -9.878 1.00 0.00 H new ATOM 0 HB1 ALA A 12 20.349 14.082 -12.033 1.00 0.00 H new ATOM 0 HB2 ALA A 12 21.767 14.157 -10.961 1.00 0.00 H new ATOM 0 HB3 ALA A 12 20.880 12.627 -11.158 1.00 0.00 H new ATOM 130 N GLY A 13 18.303 12.240 -9.898 1.00 0.00 N ATOM 131 CA GLY A 13 17.005 11.615 -10.074 1.00 0.00 C ATOM 132 C GLY A 13 16.192 11.598 -8.795 1.00 0.00 C ATOM 133 O GLY A 13 16.208 10.617 -8.052 1.00 0.00 O ATOM 0 H GLY A 13 19.039 11.615 -9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 13 16.450 12.148 -10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 13 17.142 10.593 -10.427 1.00 0.00 H new ATOM 137 N LYS A 14 15.478 12.689 -8.535 1.00 0.00 N ATOM 138 CA LYS A 14 14.655 12.797 -7.337 1.00 0.00 C ATOM 139 C LYS A 14 13.177 12.904 -7.700 1.00 0.00 C ATOM 140 O LYS A 14 12.781 13.773 -8.476 1.00 0.00 O ATOM 141 CB LYS A 14 15.077 14.014 -6.511 1.00 0.00 C ATOM 142 CG LYS A 14 14.838 15.339 -7.214 1.00 0.00 C ATOM 143 CD LYS A 14 15.639 16.462 -6.576 1.00 0.00 C ATOM 144 CE LYS A 14 15.164 17.826 -7.052 1.00 0.00 C ATOM 145 NZ LYS A 14 15.617 18.918 -6.146 1.00 0.00 N ATOM 0 H LYS A 14 15.453 13.511 -9.139 1.00 0.00 H new ATOM 0 HA LYS A 14 14.801 11.894 -6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.531 14.009 -5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 14 16.136 13.928 -6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.111 15.248 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.776 15.583 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.550 16.403 -5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.695 16.339 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.539 18.010 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.076 17.831 -7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.273 19.832 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.238 18.756 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.656 18.930 -6.109 1.00 0.00 H new ATOM 159 N MET A 15 12.367 12.016 -7.133 1.00 0.00 N ATOM 160 CA MET A 15 10.933 12.014 -7.396 1.00 0.00 C ATOM 161 C MET A 15 10.226 13.082 -6.568 1.00 0.00 C ATOM 162 O MET A 15 10.854 13.781 -5.772 1.00 0.00 O ATOM 163 CB MET A 15 10.339 10.638 -7.089 1.00 0.00 C ATOM 164 CG MET A 15 9.129 10.293 -7.943 1.00 0.00 C ATOM 165 SD MET A 15 8.888 8.515 -8.120 1.00 0.00 S ATOM 166 CE MET A 15 8.384 8.075 -6.458 1.00 0.00 C ATOM 0 H MET A 15 12.679 11.289 -6.489 1.00 0.00 H new ATOM 0 HA MET A 15 10.782 12.240 -8.452 1.00 0.00 H new ATOM 0 HB2 MET A 15 11.107 9.879 -7.238 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.054 10.601 -6.038 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.237 10.734 -7.498 1.00 0.00 H new ATOM 0 HG3 MET A 15 9.247 10.740 -8.930 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.197 7.002 -6.406 1.00 0.00 H new ATOM 0 HE2 MET A 15 9.175 8.340 -5.756 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.473 8.615 -6.199 1.00 0.00 H new ATOM 176 N LYS A 16 8.917 13.203 -6.759 1.00 0.00 N ATOM 177 CA LYS A 16 8.124 14.186 -6.030 1.00 0.00 C ATOM 178 C LYS A 16 7.656 13.621 -4.692 1.00 0.00 C ATOM 179 O LYS A 16 7.034 12.562 -4.637 1.00 0.00 O ATOM 180 CB LYS A 16 6.916 14.617 -6.863 1.00 0.00 C ATOM 181 CG LYS A 16 7.284 15.421 -8.098 1.00 0.00 C ATOM 182 CD LYS A 16 6.049 15.871 -8.860 1.00 0.00 C ATOM 183 CE LYS A 16 5.434 17.116 -8.240 1.00 0.00 C ATOM 184 NZ LYS A 16 4.490 16.778 -7.138 1.00 0.00 N ATOM 0 H LYS A 16 8.382 12.632 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 16 8.754 15.055 -5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.361 13.730 -7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.248 15.211 -6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.869 16.293 -7.805 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.916 14.818 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.314 16.073 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.313 15.067 -8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.226 17.759 -7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.908 17.682 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.652 17.391 -7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.199 15.783 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.960 16.924 -6.222 1.00 0.00 H new ATOM 198 N GLY A 17 7.959 14.339 -3.614 1.00 0.00 N ATOM 199 CA GLY A 17 7.561 13.894 -2.291 1.00 0.00 C ATOM 200 C GLY A 17 8.596 14.221 -1.233 1.00 0.00 C ATOM 201 O GLY A 17 9.682 13.642 -1.217 1.00 0.00 O ATOM 0 H GLY A 17 8.473 15.220 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.613 14.361 -2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.392 12.817 -2.309 1.00 0.00 H new ATOM 205 N SER A 18 8.260 15.154 -0.347 1.00 0.00 N ATOM 206 CA SER A 18 9.171 15.562 0.716 1.00 0.00 C ATOM 207 C SER A 18 9.582 14.365 1.568 1.00 0.00 C ATOM 208 O SER A 18 10.765 14.040 1.672 1.00 0.00 O ATOM 209 CB SER A 18 8.516 16.628 1.596 1.00 0.00 C ATOM 210 OG SER A 18 8.643 17.915 1.018 1.00 0.00 O ATOM 0 H SER A 18 7.364 15.641 -0.345 1.00 0.00 H new ATOM 0 HA SER A 18 10.065 15.981 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.461 16.391 1.735 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.977 16.622 2.584 1.00 0.00 H new ATOM 0 HG SER A 18 8.215 18.578 1.599 1.00 0.00 H new ATOM 216 N ASP A 19 8.597 13.713 2.175 1.00 0.00 N ATOM 217 CA ASP A 19 8.855 12.551 3.018 1.00 0.00 C ATOM 218 C ASP A 19 9.350 11.374 2.183 1.00 0.00 C ATOM 219 O ASP A 19 9.553 11.498 0.976 1.00 0.00 O ATOM 220 CB ASP A 19 7.589 12.155 3.779 1.00 0.00 C ATOM 221 CG ASP A 19 7.110 13.249 4.714 1.00 0.00 C ATOM 222 OD1 ASP A 19 7.881 13.639 5.615 1.00 0.00 O ATOM 223 OD2 ASP A 19 5.963 13.714 4.545 1.00 0.00 O ATOM 0 H ASP A 19 7.613 13.969 2.099 1.00 0.00 H new ATOM 0 HA ASP A 19 9.632 12.818 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.799 11.918 3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.782 11.249 4.353 1.00 0.00 H new ATOM 228 N ASN A 20 9.543 10.232 2.836 1.00 0.00 N ATOM 229 CA ASN A 20 10.016 9.032 2.154 1.00 0.00 C ATOM 230 C ASN A 20 9.113 7.841 2.459 1.00 0.00 C ATOM 231 O ASN A 20 9.586 6.781 2.867 1.00 0.00 O ATOM 232 CB ASN A 20 11.454 8.717 2.571 1.00 0.00 C ATOM 233 CG ASN A 20 11.632 8.716 4.078 1.00 0.00 C ATOM 234 OD1 ASN A 20 11.374 7.714 4.744 1.00 0.00 O ATOM 235 ND2 ASN A 20 12.074 9.844 4.621 1.00 0.00 N ATOM 0 H ASN A 20 9.379 10.112 3.836 1.00 0.00 H new ATOM 0 HA ASN A 20 9.989 9.220 1.081 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.740 7.743 2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.127 9.452 2.129 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.213 9.904 5.630 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.275 10.650 4.029 1.00 0.00 H new ATOM 242 N GLN A 21 7.812 8.025 2.259 1.00 0.00 N ATOM 243 CA GLN A 21 6.843 6.965 2.513 1.00 0.00 C ATOM 244 C GLN A 21 6.446 6.268 1.216 1.00 0.00 C ATOM 245 O GLN A 21 6.522 5.044 1.110 1.00 0.00 O ATOM 246 CB GLN A 21 5.601 7.535 3.200 1.00 0.00 C ATOM 247 CG GLN A 21 5.691 7.533 4.717 1.00 0.00 C ATOM 248 CD GLN A 21 6.510 8.690 5.255 1.00 0.00 C ATOM 249 OE1 GLN A 21 5.998 9.794 5.443 1.00 0.00 O ATOM 250 NE2 GLN A 21 7.790 8.443 5.505 1.00 0.00 N ATOM 0 H GLN A 21 7.405 8.897 1.922 1.00 0.00 H new ATOM 0 HA GLN A 21 7.309 6.231 3.170 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.442 8.557 2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.729 6.956 2.895 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.686 7.578 5.137 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.134 6.594 5.050 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.173 7.513 5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.391 9.183 5.868 1.00 0.00 H new ATOM 259 N GLU A 22 6.023 7.055 0.232 1.00 0.00 N ATOM 260 CA GLU A 22 5.613 6.512 -1.058 1.00 0.00 C ATOM 261 C GLU A 22 6.801 5.896 -1.791 1.00 0.00 C ATOM 262 O GLU A 22 6.637 5.008 -2.629 1.00 0.00 O ATOM 263 CB GLU A 22 4.980 7.606 -1.920 1.00 0.00 C ATOM 264 CG GLU A 22 4.098 7.069 -3.034 1.00 0.00 C ATOM 265 CD GLU A 22 3.120 8.105 -3.555 1.00 0.00 C ATOM 266 OE1 GLU A 22 2.598 8.892 -2.738 1.00 0.00 O ATOM 267 OE2 GLU A 22 2.878 8.128 -4.780 1.00 0.00 O ATOM 0 H GLU A 22 5.955 8.070 0.303 1.00 0.00 H new ATOM 0 HA GLU A 22 4.875 5.731 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.387 8.261 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.771 8.216 -2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.726 6.723 -3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.545 6.204 -2.669 1.00 0.00 H new ATOM 274 N LYS A 23 7.999 6.374 -1.471 1.00 0.00 N ATOM 275 CA LYS A 23 9.216 5.871 -2.097 1.00 0.00 C ATOM 276 C LYS A 23 9.703 4.604 -1.401 1.00 0.00 C ATOM 277 O LYS A 23 10.074 3.628 -2.055 1.00 0.00 O ATOM 278 CB LYS A 23 10.312 6.939 -2.059 1.00 0.00 C ATOM 279 CG LYS A 23 10.875 7.184 -0.670 1.00 0.00 C ATOM 280 CD LYS A 23 12.015 8.188 -0.699 1.00 0.00 C ATOM 281 CE LYS A 23 13.358 7.502 -0.902 1.00 0.00 C ATOM 282 NZ LYS A 23 14.482 8.478 -0.916 1.00 0.00 N ATOM 0 H LYS A 23 8.153 7.110 -0.781 1.00 0.00 H new ATOM 0 HA LYS A 23 8.987 5.629 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.123 6.639 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.910 7.874 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.084 7.549 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.228 6.243 -0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.848 8.907 -1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.030 8.750 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.518 6.775 -0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.345 6.949 -1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.380 7.972 -1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.342 9.157 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.510 8.988 -0.010 1.00 0.00 H new ATOM 296 N LEU A 24 9.697 4.625 -0.073 1.00 0.00 N ATOM 297 CA LEU A 24 10.137 3.476 0.712 1.00 0.00 C ATOM 298 C LEU A 24 9.278 2.251 0.412 1.00 0.00 C ATOM 299 O LEU A 24 9.761 1.119 0.441 1.00 0.00 O ATOM 300 CB LEU A 24 10.078 3.801 2.205 1.00 0.00 C ATOM 301 CG LEU A 24 10.269 2.620 3.157 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.735 2.225 3.232 1.00 0.00 C ATOM 303 CD2 LEU A 24 9.735 2.959 4.542 1.00 0.00 C ATOM 0 H LEU A 24 9.393 5.424 0.483 1.00 0.00 H new ATOM 0 HA LEU A 24 11.167 3.251 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.843 4.546 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.113 4.262 2.418 1.00 0.00 H new ATOM 0 HG LEU A 24 9.705 1.772 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.850 1.383 3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.086 1.939 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.321 3.069 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.879 2.107 5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.271 3.822 4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.672 3.191 4.475 1.00 0.00 H new ATOM 315 N VAL A 25 8.002 2.486 0.123 1.00 0.00 N ATOM 316 CA VAL A 25 7.076 1.403 -0.185 1.00 0.00 C ATOM 317 C VAL A 25 7.302 0.872 -1.596 1.00 0.00 C ATOM 318 O VAL A 25 7.180 -0.327 -1.847 1.00 0.00 O ATOM 319 CB VAL A 25 5.612 1.860 -0.048 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.663 0.713 -0.361 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.354 2.411 1.346 1.00 0.00 C ATOM 0 H VAL A 25 7.586 3.417 0.096 1.00 0.00 H new ATOM 0 HA VAL A 25 7.269 0.607 0.535 1.00 0.00 H new ATOM 0 HB VAL A 25 5.430 2.658 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.633 1.055 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.832 0.369 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.843 -0.108 0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.314 2.729 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.553 1.636 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.009 3.263 1.527 1.00 0.00 H new ATOM 331 N TYR A 26 7.632 1.772 -2.515 1.00 0.00 N ATOM 332 CA TYR A 26 7.873 1.395 -3.903 1.00 0.00 C ATOM 333 C TYR A 26 9.140 0.555 -4.027 1.00 0.00 C ATOM 334 O TYR A 26 9.230 -0.330 -4.877 1.00 0.00 O ATOM 335 CB TYR A 26 7.987 2.643 -4.780 1.00 0.00 C ATOM 336 CG TYR A 26 8.364 2.344 -6.213 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.534 1.581 -7.026 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.550 2.824 -6.755 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.875 1.305 -8.336 1.00 0.00 C ATOM 340 CE2 TYR A 26 9.898 2.554 -8.065 1.00 0.00 C ATOM 341 CZ TYR A 26 9.057 1.793 -8.850 1.00 0.00 C ATOM 342 OH TYR A 26 9.400 1.521 -10.155 1.00 0.00 O ATOM 0 H TYR A 26 7.739 2.768 -2.324 1.00 0.00 H new ATOM 0 HA TYR A 26 7.028 0.797 -4.242 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.035 3.174 -4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.732 3.313 -4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.607 1.197 -6.627 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.211 3.418 -6.142 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.219 0.710 -8.954 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.823 2.936 -8.471 1.00 0.00 H new ATOM 0 HH TYR A 26 10.262 1.939 -10.361 1.00 0.00 H new ATOM 352 N GLN A 27 10.117 0.840 -3.172 1.00 0.00 N ATOM 353 CA GLN A 27 11.380 0.112 -3.185 1.00 0.00 C ATOM 354 C GLN A 27 11.202 -1.296 -2.626 1.00 0.00 C ATOM 355 O GLN A 27 11.997 -2.192 -2.911 1.00 0.00 O ATOM 356 CB GLN A 27 12.437 0.865 -2.376 1.00 0.00 C ATOM 357 CG GLN A 27 12.871 2.176 -3.013 1.00 0.00 C ATOM 358 CD GLN A 27 13.994 1.994 -4.014 1.00 0.00 C ATOM 359 OE1 GLN A 27 15.157 2.269 -3.717 1.00 0.00 O ATOM 360 NE2 GLN A 27 13.652 1.528 -5.210 1.00 0.00 N ATOM 0 H GLN A 27 10.058 1.570 -2.462 1.00 0.00 H new ATOM 0 HA GLN A 27 11.714 0.033 -4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.044 1.067 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.310 0.225 -2.250 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.016 2.634 -3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.193 2.866 -2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.676 1.313 -5.414 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.365 1.385 -5.925 1.00 0.00 H new ATOM 369 N ILE A 28 10.156 -1.482 -1.829 1.00 0.00 N ATOM 370 CA ILE A 28 9.874 -2.781 -1.231 1.00 0.00 C ATOM 371 C ILE A 28 9.094 -3.672 -2.192 1.00 0.00 C ATOM 372 O ILE A 28 9.188 -4.898 -2.132 1.00 0.00 O ATOM 373 CB ILE A 28 9.076 -2.637 0.079 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.909 -1.902 1.131 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.650 -4.004 0.594 1.00 0.00 C ATOM 376 CD1 ILE A 28 9.076 -1.213 2.189 1.00 0.00 C ATOM 0 H ILE A 28 9.490 -0.750 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 28 10.837 -3.242 -1.012 1.00 0.00 H new ATOM 0 HB ILE A 28 8.179 -2.051 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.579 -2.613 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.535 -1.161 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.087 -3.885 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.023 -4.494 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.534 -4.613 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.733 -0.713 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.425 -0.477 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.469 -1.952 2.713 1.00 0.00 H new ATOM 388 N ILE A 29 8.327 -3.047 -3.078 1.00 0.00 N ATOM 389 CA ILE A 29 7.533 -3.783 -4.055 1.00 0.00 C ATOM 390 C ILE A 29 8.416 -4.366 -5.153 1.00 0.00 C ATOM 391 O ILE A 29 8.331 -5.553 -5.466 1.00 0.00 O ATOM 392 CB ILE A 29 6.458 -2.887 -4.697 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.526 -2.322 -3.623 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.667 -3.669 -5.734 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.782 -1.080 -4.061 1.00 0.00 C ATOM 0 H ILE A 29 8.238 -2.033 -3.140 1.00 0.00 H new ATOM 0 HA ILE A 29 7.043 -4.594 -3.517 1.00 0.00 H new ATOM 0 HB ILE A 29 6.952 -2.054 -5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.804 -3.088 -3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.110 -2.091 -2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.911 -3.022 -6.179 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.341 -4.027 -6.512 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.181 -4.519 -5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.141 -0.735 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.497 -0.298 -4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.171 -1.311 -4.934 1.00 0.00 H new ATOM 407 N GLU A 30 9.263 -3.522 -5.734 1.00 0.00 N ATOM 408 CA GLU A 30 10.163 -3.954 -6.797 1.00 0.00 C ATOM 409 C GLU A 30 11.120 -5.032 -6.296 1.00 0.00 C ATOM 410 O GLU A 30 11.635 -5.832 -7.077 1.00 0.00 O ATOM 411 CB GLU A 30 10.956 -2.764 -7.340 1.00 0.00 C ATOM 412 CG GLU A 30 12.131 -2.365 -6.463 1.00 0.00 C ATOM 413 CD GLU A 30 13.373 -3.190 -6.740 1.00 0.00 C ATOM 414 OE1 GLU A 30 13.592 -3.558 -7.913 1.00 0.00 O ATOM 415 OE2 GLU A 30 14.125 -3.468 -5.783 1.00 0.00 O ATOM 0 H GLU A 30 9.345 -2.536 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 30 9.558 -4.375 -7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.324 -3.007 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.287 -1.910 -7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.357 -1.311 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.852 -2.476 -5.415 1.00 0.00 H new ATOM 422 N ASP A 31 11.353 -5.045 -4.988 1.00 0.00 N ATOM 423 CA ASP A 31 12.248 -6.023 -4.381 1.00 0.00 C ATOM 424 C ASP A 31 11.609 -7.409 -4.367 1.00 0.00 C ATOM 425 O ASP A 31 12.291 -8.419 -4.536 1.00 0.00 O ATOM 426 CB ASP A 31 12.609 -5.600 -2.956 1.00 0.00 C ATOM 427 CG ASP A 31 13.982 -6.090 -2.537 1.00 0.00 C ATOM 428 OD1 ASP A 31 14.898 -6.081 -3.385 1.00 0.00 O ATOM 429 OD2 ASP A 31 14.139 -6.482 -1.362 1.00 0.00 O ATOM 0 H ASP A 31 10.935 -4.389 -4.328 1.00 0.00 H new ATOM 0 HA ASP A 31 13.158 -6.068 -4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.577 -4.513 -2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.861 -5.988 -2.264 1.00 0.00 H new ATOM 434 N ALA A 32 10.297 -7.447 -4.163 1.00 0.00 N ATOM 435 CA ALA A 32 9.566 -8.708 -4.128 1.00 0.00 C ATOM 436 C ALA A 32 9.839 -9.536 -5.379 1.00 0.00 C ATOM 437 O ALA A 32 9.969 -10.758 -5.311 1.00 0.00 O ATOM 438 CB ALA A 32 8.074 -8.450 -3.979 1.00 0.00 C ATOM 0 H ALA A 32 9.718 -6.620 -4.019 1.00 0.00 H new ATOM 0 HA ALA A 32 9.913 -9.276 -3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.541 -9.401 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.890 -7.906 -3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.721 -7.858 -4.823 1.00 0.00 H new ATOM 444 N GLY A 33 9.924 -8.862 -6.522 1.00 0.00 N ATOM 445 CA GLY A 33 10.180 -9.553 -7.773 1.00 0.00 C ATOM 446 C GLY A 33 8.908 -10.039 -8.437 1.00 0.00 C ATOM 447 O GLY A 33 7.806 -9.702 -8.007 1.00 0.00 O ATOM 0 H GLY A 33 9.820 -7.851 -6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.708 -8.884 -8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.837 -10.403 -7.587 1.00 0.00 H new ATOM 451 N ASN A 34 9.060 -10.835 -9.492 1.00 0.00 N ATOM 452 CA ASN A 34 7.913 -11.367 -10.219 1.00 0.00 C ATOM 453 C ASN A 34 6.904 -11.992 -9.261 1.00 0.00 C ATOM 454 O ASN A 34 5.697 -11.953 -9.501 1.00 0.00 O ATOM 455 CB ASN A 34 8.371 -12.406 -11.244 1.00 0.00 C ATOM 456 CG ASN A 34 9.693 -12.038 -11.889 1.00 0.00 C ATOM 457 OD1 ASN A 34 10.747 -12.543 -11.502 1.00 0.00 O ATOM 458 ND2 ASN A 34 9.643 -11.154 -12.879 1.00 0.00 N ATOM 0 H ASN A 34 9.965 -11.125 -9.862 1.00 0.00 H new ATOM 0 HA ASN A 34 7.429 -10.541 -10.740 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.465 -13.376 -10.756 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.609 -12.510 -12.017 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.501 -10.868 -13.351 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.747 -10.761 -13.167 1.00 0.00 H new ATOM 465 N LYS A 35 7.406 -12.567 -8.173 1.00 0.00 N ATOM 466 CA LYS A 35 6.550 -13.199 -7.177 1.00 0.00 C ATOM 467 C LYS A 35 5.506 -12.217 -6.654 1.00 0.00 C ATOM 468 O LYS A 35 4.349 -12.579 -6.443 1.00 0.00 O ATOM 469 CB LYS A 35 7.391 -13.731 -6.015 1.00 0.00 C ATOM 470 CG LYS A 35 8.148 -15.006 -6.345 1.00 0.00 C ATOM 471 CD LYS A 35 8.589 -15.734 -5.087 1.00 0.00 C ATOM 472 CE LYS A 35 8.907 -17.194 -5.371 1.00 0.00 C ATOM 473 NZ LYS A 35 9.463 -17.884 -4.174 1.00 0.00 N ATOM 0 H LYS A 35 8.402 -12.608 -7.959 1.00 0.00 H new ATOM 0 HA LYS A 35 6.033 -14.031 -7.655 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.103 -12.964 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.739 -13.916 -5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.515 -15.662 -6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.021 -14.765 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.469 -15.243 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.803 -15.671 -4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.002 -17.706 -5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.622 -17.257 -6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.666 -18.877 -4.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.341 -17.411 -3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.771 -17.847 -3.399 1.00 0.00 H new ATOM 487 N GLY A 36 5.923 -10.971 -6.450 1.00 0.00 N ATOM 488 CA GLY A 36 5.011 -9.955 -5.955 1.00 0.00 C ATOM 489 C GLY A 36 5.079 -9.799 -4.449 1.00 0.00 C ATOM 490 O GLY A 36 5.916 -10.418 -3.791 1.00 0.00 O ATOM 0 H GLY A 36 6.875 -10.647 -6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.244 -9.001 -6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.992 -10.213 -6.245 1.00 0.00 H new ATOM 494 N ILE A 37 4.198 -8.969 -3.902 1.00 0.00 N ATOM 495 CA ILE A 37 4.162 -8.733 -2.464 1.00 0.00 C ATOM 496 C ILE A 37 2.739 -8.467 -1.985 1.00 0.00 C ATOM 497 O ILE A 37 1.963 -7.791 -2.660 1.00 0.00 O ATOM 498 CB ILE A 37 5.056 -7.543 -2.066 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.117 -7.410 -0.543 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.539 -6.258 -2.696 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.030 -6.300 -0.070 1.00 0.00 C ATOM 0 H ILE A 37 3.499 -8.449 -4.433 1.00 0.00 H new ATOM 0 HA ILE A 37 4.540 -9.637 -1.987 1.00 0.00 H new ATOM 0 HB ILE A 37 6.065 -7.725 -2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.112 -7.230 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.456 -8.354 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.181 -5.426 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.543 -6.358 -3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.522 -6.068 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.024 -6.264 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.044 -6.489 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.680 -5.347 -0.467 1.00 0.00 H new ATOM 513 N TRP A 38 2.405 -9.001 -0.816 1.00 0.00 N ATOM 514 CA TRP A 38 1.075 -8.820 -0.246 1.00 0.00 C ATOM 515 C TRP A 38 0.972 -7.484 0.482 1.00 0.00 C ATOM 516 O TRP A 38 1.823 -7.149 1.306 1.00 0.00 O ATOM 517 CB TRP A 38 0.749 -9.965 0.715 1.00 0.00 C ATOM 518 CG TRP A 38 -0.713 -10.287 0.780 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.635 -10.118 -0.213 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.421 -10.832 1.899 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.874 -10.525 0.221 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.769 -10.968 1.513 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.048 -11.220 3.189 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.741 -11.475 2.371 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.014 -11.722 4.039 1.00 0.00 C ATOM 526 CH2 TRP A 38 -3.348 -11.847 3.628 1.00 0.00 C ATOM 0 H TRP A 38 3.036 -9.563 -0.245 1.00 0.00 H new ATOM 0 HA TRP A 38 0.353 -8.824 -1.063 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.297 -10.856 0.407 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.101 -9.704 1.713 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.422 -9.723 -1.195 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.732 -10.501 -0.330 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.023 -11.129 3.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.769 -11.571 2.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.736 -12.024 5.038 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.080 -12.244 4.316 1.00 0.00 H new ATOM 537 N SER A 39 -0.075 -6.726 0.173 1.00 0.00 N ATOM 538 CA SER A 39 -0.287 -5.424 0.796 1.00 0.00 C ATOM 539 C SER A 39 0.193 -5.431 2.244 1.00 0.00 C ATOM 540 O SER A 39 0.820 -4.478 2.706 1.00 0.00 O ATOM 541 CB SER A 39 -1.767 -5.042 0.739 1.00 0.00 C ATOM 542 OG SER A 39 -2.095 -4.116 1.760 1.00 0.00 O ATOM 0 H SER A 39 -0.790 -6.991 -0.505 1.00 0.00 H new ATOM 0 HA SER A 39 0.292 -4.685 0.243 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.997 -4.610 -0.235 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.381 -5.937 0.844 1.00 0.00 H new ATOM 0 HG SER A 39 -3.046 -3.887 1.701 1.00 0.00 H new ATOM 548 N ARG A 40 -0.107 -6.513 2.955 1.00 0.00 N ATOM 549 CA ARG A 40 0.292 -6.645 4.351 1.00 0.00 C ATOM 550 C ARG A 40 1.812 -6.664 4.483 1.00 0.00 C ATOM 551 O ARG A 40 2.392 -5.866 5.220 1.00 0.00 O ATOM 552 CB ARG A 40 -0.300 -7.920 4.955 1.00 0.00 C ATOM 553 CG ARG A 40 -1.816 -7.897 5.060 1.00 0.00 C ATOM 554 CD ARG A 40 -2.329 -9.023 5.944 1.00 0.00 C ATOM 555 NE ARG A 40 -1.945 -8.842 7.341 1.00 0.00 N ATOM 556 CZ ARG A 40 -2.602 -9.383 8.361 1.00 0.00 C ATOM 557 NH1 ARG A 40 -3.671 -10.135 8.140 1.00 0.00 N ATOM 558 NH2 ARG A 40 -2.190 -9.172 9.604 1.00 0.00 N ATOM 0 H ARG A 40 -0.625 -7.311 2.587 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.091 -5.782 4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.001 -8.773 4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.122 -8.071 5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.139 -6.938 5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.252 -7.986 4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.415 -9.075 5.871 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.939 -9.974 5.582 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.127 -8.268 7.545 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.991 -10.299 7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.174 -10.549 8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.368 -8.594 9.778 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.695 -9.588 10.386 1.00 0.00 H new ATOM 572 N ASP A 41 2.451 -7.582 3.765 1.00 0.00 N ATOM 573 CA ASP A 41 3.903 -7.705 3.801 1.00 0.00 C ATOM 574 C ASP A 41 4.566 -6.331 3.817 1.00 0.00 C ATOM 575 O ASP A 41 5.627 -6.149 4.413 1.00 0.00 O ATOM 576 CB ASP A 41 4.398 -8.510 2.598 1.00 0.00 C ATOM 577 CG ASP A 41 4.251 -10.005 2.802 1.00 0.00 C ATOM 578 OD1 ASP A 41 5.073 -10.586 3.541 1.00 0.00 O ATOM 579 OD2 ASP A 41 3.316 -10.595 2.221 1.00 0.00 O ATOM 0 H ASP A 41 1.986 -8.251 3.152 1.00 0.00 H new ATOM 0 HA ASP A 41 4.175 -8.230 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.841 -8.211 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.445 -8.273 2.412 1.00 0.00 H new ATOM 584 N VAL A 42 3.932 -5.367 3.156 1.00 0.00 N ATOM 585 CA VAL A 42 4.460 -4.009 3.094 1.00 0.00 C ATOM 586 C VAL A 42 4.339 -3.310 4.443 1.00 0.00 C ATOM 587 O VAL A 42 5.325 -2.815 4.988 1.00 0.00 O ATOM 588 CB VAL A 42 3.730 -3.172 2.027 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.391 -1.811 1.871 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.697 -3.913 0.699 1.00 0.00 C ATOM 0 H VAL A 42 3.053 -5.501 2.656 1.00 0.00 H new ATOM 0 HA VAL A 42 5.513 -4.091 2.824 1.00 0.00 H new ATOM 0 HB VAL A 42 2.702 -3.015 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.861 -1.234 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.357 -1.279 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.429 -1.943 1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.177 -3.307 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.716 -4.103 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.174 -4.861 0.824 1.00 0.00 H new ATOM 600 N ARG A 43 3.122 -3.274 4.977 1.00 0.00 N ATOM 601 CA ARG A 43 2.871 -2.634 6.263 1.00 0.00 C ATOM 602 C ARG A 43 4.062 -2.813 7.200 1.00 0.00 C ATOM 603 O ARG A 43 4.476 -1.873 7.881 1.00 0.00 O ATOM 604 CB ARG A 43 1.611 -3.214 6.908 1.00 0.00 C ATOM 605 CG ARG A 43 0.338 -2.472 6.531 1.00 0.00 C ATOM 606 CD ARG A 43 -0.766 -2.707 7.550 1.00 0.00 C ATOM 607 NE ARG A 43 -0.407 -2.202 8.872 1.00 0.00 N ATOM 608 CZ ARG A 43 -1.259 -2.134 9.889 1.00 0.00 C ATOM 609 NH1 ARG A 43 -2.513 -2.537 9.735 1.00 0.00 N ATOM 610 NH2 ARG A 43 -0.858 -1.663 11.062 1.00 0.00 N ATOM 0 H ARG A 43 2.295 -3.680 4.539 1.00 0.00 H new ATOM 0 HA ARG A 43 2.724 -1.568 6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.512 -4.260 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.726 -3.195 7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.546 -1.405 6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.002 -2.800 5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.681 -2.220 7.212 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.978 -3.774 7.615 1.00 0.00 H new ATOM 0 HE ARG A 43 0.550 -1.884 9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.825 -2.900 8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.165 -2.484 10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.106 -1.352 11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.513 -1.611 11.842 1.00 0.00 H new ATOM 624 N TYR A 44 4.609 -4.023 7.231 1.00 0.00 N ATOM 625 CA TYR A 44 5.750 -4.325 8.086 1.00 0.00 C ATOM 626 C TYR A 44 7.027 -3.703 7.531 1.00 0.00 C ATOM 627 O TYR A 44 7.730 -2.971 8.228 1.00 0.00 O ATOM 628 CB TYR A 44 5.924 -5.839 8.223 1.00 0.00 C ATOM 629 CG TYR A 44 4.617 -6.597 8.269 1.00 0.00 C ATOM 630 CD1 TYR A 44 3.972 -6.837 9.476 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.028 -7.075 7.105 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.778 -7.530 9.523 1.00 0.00 C ATOM 633 CE2 TYR A 44 2.833 -7.768 7.142 1.00 0.00 C ATOM 634 CZ TYR A 44 2.212 -7.993 8.353 1.00 0.00 C ATOM 635 OH TYR A 44 1.023 -8.684 8.394 1.00 0.00 O ATOM 0 H TYR A 44 4.280 -4.811 6.673 1.00 0.00 H new ATOM 0 HA TYR A 44 5.558 -3.897 9.070 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.517 -6.205 7.385 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.489 -6.051 9.131 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.412 -6.475 10.394 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.512 -6.902 6.155 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.290 -7.708 10.470 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.388 -8.131 6.228 1.00 0.00 H new ATOM 0 HH TYR A 44 0.600 -8.556 9.269 1.00 0.00 H new ATOM 645 N LYS A 45 7.321 -3.999 6.269 1.00 0.00 N ATOM 646 CA LYS A 45 8.512 -3.469 5.616 1.00 0.00 C ATOM 647 C LYS A 45 8.513 -1.944 5.641 1.00 0.00 C ATOM 648 O LYS A 45 9.411 -1.324 6.211 1.00 0.00 O ATOM 649 CB LYS A 45 8.590 -3.965 4.170 1.00 0.00 C ATOM 650 CG LYS A 45 8.750 -5.471 4.052 1.00 0.00 C ATOM 651 CD LYS A 45 9.846 -5.989 4.969 1.00 0.00 C ATOM 652 CE LYS A 45 10.319 -7.372 4.547 1.00 0.00 C ATOM 653 NZ LYS A 45 9.324 -8.426 4.890 1.00 0.00 N ATOM 0 H LYS A 45 6.750 -4.603 5.678 1.00 0.00 H new ATOM 0 HA LYS A 45 9.385 -3.825 6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.686 -3.661 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.429 -3.479 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.807 -5.958 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.984 -5.733 3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.688 -5.297 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.477 -6.027 5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.502 -7.381 3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.268 -7.596 5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.683 -9.354 4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.168 -8.434 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.426 -8.227 4.405 1.00 0.00 H new ATOM 667 N SER A 46 7.501 -1.345 5.022 1.00 0.00 N ATOM 668 CA SER A 46 7.387 0.108 4.971 1.00 0.00 C ATOM 669 C SER A 46 7.153 0.682 6.365 1.00 0.00 C ATOM 670 O SER A 46 7.317 1.881 6.590 1.00 0.00 O ATOM 671 CB SER A 46 6.246 0.519 4.039 1.00 0.00 C ATOM 672 OG SER A 46 5.014 -0.037 4.465 1.00 0.00 O ATOM 0 H SER A 46 6.748 -1.844 4.548 1.00 0.00 H new ATOM 0 HA SER A 46 8.324 0.509 4.584 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.168 1.606 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.465 0.190 3.023 1.00 0.00 H new ATOM 0 HG SER A 46 5.148 -0.974 4.717 1.00 0.00 H new ATOM 678 N ASN A 47 6.767 -0.182 7.298 1.00 0.00 N ATOM 679 CA ASN A 47 6.508 0.238 8.670 1.00 0.00 C ATOM 680 C ASN A 47 5.432 1.319 8.714 1.00 0.00 C ATOM 681 O ASN A 47 5.383 2.124 9.645 1.00 0.00 O ATOM 682 CB ASN A 47 7.794 0.757 9.317 1.00 0.00 C ATOM 683 CG ASN A 47 8.937 -0.235 9.209 1.00 0.00 C ATOM 684 OD1 ASN A 47 8.888 -1.320 9.788 1.00 0.00 O ATOM 685 ND2 ASN A 47 9.973 0.135 8.465 1.00 0.00 N ATOM 0 H ASN A 47 6.627 -1.178 7.129 1.00 0.00 H new ATOM 0 HA ASN A 47 6.151 -0.628 9.228 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.084 1.694 8.842 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.606 0.977 10.368 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.771 -0.490 8.355 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.970 1.044 8.003 1.00 0.00 H new ATOM 692 N LEU A 48 4.571 1.330 7.703 1.00 0.00 N ATOM 693 CA LEU A 48 3.494 2.310 7.626 1.00 0.00 C ATOM 694 C LEU A 48 2.151 1.672 7.967 1.00 0.00 C ATOM 695 O LEU A 48 1.969 0.459 7.866 1.00 0.00 O ATOM 696 CB LEU A 48 3.438 2.927 6.227 1.00 0.00 C ATOM 697 CG LEU A 48 4.449 4.039 5.943 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.536 4.312 4.450 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.074 5.306 6.698 1.00 0.00 C ATOM 0 H LEU A 48 4.598 0.671 6.925 1.00 0.00 H new ATOM 0 HA LEU A 48 3.698 3.095 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.586 2.133 5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.436 3.325 6.067 1.00 0.00 H new ATOM 0 HG LEU A 48 5.429 3.710 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.260 5.106 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.852 3.406 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.558 4.620 4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.804 6.087 6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.085 5.638 6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.064 5.102 7.769 1.00 0.00 H new ATOM 711 N PRO A 49 1.185 2.508 8.377 1.00 0.00 N ATOM 712 CA PRO A 49 -0.159 2.048 8.738 1.00 0.00 C ATOM 713 C PRO A 49 -0.953 1.570 7.527 1.00 0.00 C ATOM 714 O PRO A 49 -0.701 1.997 6.400 1.00 0.00 O ATOM 715 CB PRO A 49 -0.809 3.294 9.345 1.00 0.00 C ATOM 716 CG PRO A 49 -0.080 4.439 8.731 1.00 0.00 C ATOM 717 CD PRO A 49 1.332 3.967 8.520 1.00 0.00 C ATOM 0 HA PRO A 49 -0.129 1.193 9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.874 3.335 9.118 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.714 3.301 10.431 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.539 4.732 7.787 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.106 5.312 9.383 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.777 4.415 7.632 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.973 4.226 9.363 1.00 0.00 H new ATOM 725 N LEU A 50 -1.912 0.683 7.767 1.00 0.00 N ATOM 726 CA LEU A 50 -2.744 0.147 6.696 1.00 0.00 C ATOM 727 C LEU A 50 -3.259 1.265 5.795 1.00 0.00 C ATOM 728 O LEU A 50 -3.224 1.156 4.569 1.00 0.00 O ATOM 729 CB LEU A 50 -3.920 -0.637 7.280 1.00 0.00 C ATOM 730 CG LEU A 50 -4.797 -1.382 6.273 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.684 -0.407 5.513 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.937 -2.185 5.309 1.00 0.00 C ATOM 0 H LEU A 50 -2.133 0.320 8.694 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.131 -0.525 6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.529 -1.360 7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.550 0.055 7.838 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.438 -2.074 6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.301 -0.955 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.326 0.124 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.061 0.310 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.578 -2.709 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.271 -1.512 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.345 -2.910 5.867 1.00 0.00 H new ATOM 744 N THR A 51 -3.737 2.341 6.412 1.00 0.00 N ATOM 745 CA THR A 51 -4.259 3.480 5.667 1.00 0.00 C ATOM 746 C THR A 51 -3.200 4.062 4.738 1.00 0.00 C ATOM 747 O THR A 51 -3.522 4.668 3.717 1.00 0.00 O ATOM 748 CB THR A 51 -4.760 4.588 6.612 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.444 5.599 5.863 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.603 5.212 7.377 1.00 0.00 C ATOM 0 H THR A 51 -3.773 2.448 7.426 1.00 0.00 H new ATOM 0 HA THR A 51 -5.096 3.112 5.074 1.00 0.00 H new ATOM 0 HB THR A 51 -5.448 4.139 7.329 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.761 6.299 6.471 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.982 5.992 8.038 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.103 4.446 7.969 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.893 5.646 6.673 1.00 0.00 H new ATOM 758 N GLU A 52 -1.934 3.872 5.099 1.00 0.00 N ATOM 759 CA GLU A 52 -0.827 4.379 4.296 1.00 0.00 C ATOM 760 C GLU A 52 -0.465 3.396 3.187 1.00 0.00 C ATOM 761 O GLU A 52 -0.196 3.795 2.053 1.00 0.00 O ATOM 762 CB GLU A 52 0.394 4.641 5.179 1.00 0.00 C ATOM 763 CG GLU A 52 0.386 6.010 5.839 1.00 0.00 C ATOM 764 CD GLU A 52 0.704 7.128 4.865 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.727 7.024 4.157 1.00 0.00 O ATOM 766 OE2 GLU A 52 -0.070 8.107 4.812 1.00 0.00 O ATOM 0 H GLU A 52 -1.650 3.371 5.941 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.143 5.316 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.444 3.875 5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.296 4.543 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.592 6.189 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.113 6.022 6.651 1.00 0.00 H new ATOM 773 N ILE A 53 -0.460 2.110 3.522 1.00 0.00 N ATOM 774 CA ILE A 53 -0.132 1.071 2.554 1.00 0.00 C ATOM 775 C ILE A 53 -1.202 0.968 1.473 1.00 0.00 C ATOM 776 O ILE A 53 -0.915 0.605 0.334 1.00 0.00 O ATOM 777 CB ILE A 53 0.028 -0.302 3.235 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.409 -0.416 3.884 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.185 -1.421 2.227 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.662 0.623 4.954 1.00 0.00 C ATOM 0 H ILE A 53 -0.679 1.763 4.456 1.00 0.00 H new ATOM 0 HA ILE A 53 0.816 1.354 2.097 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.727 -0.395 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.515 -1.409 4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.173 -0.324 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.069 -2.385 2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.189 -1.347 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.550 -1.334 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.660 0.482 5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.588 1.619 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.921 0.518 5.746 1.00 0.00 H new ATOM 792 N ASN A 54 -2.438 1.291 1.839 1.00 0.00 N ATOM 793 CA ASN A 54 -3.553 1.237 0.900 1.00 0.00 C ATOM 794 C ASN A 54 -3.477 2.385 -0.102 1.00 0.00 C ATOM 795 O ASN A 54 -3.515 2.171 -1.314 1.00 0.00 O ATOM 796 CB ASN A 54 -4.884 1.289 1.652 1.00 0.00 C ATOM 797 CG ASN A 54 -5.393 -0.091 2.023 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.494 -0.943 2.502 1.00 0.00 O flip ATOM 799 ND2 ASN A 54 -6.579 -0.387 1.880 1.00 0.00 N flip ATOM 0 H ASN A 54 -2.693 1.593 2.779 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.489 0.296 0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.764 1.884 2.557 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.627 1.794 1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.235 0.300 1.508 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.906 -1.319 2.133 1.00 0.00 H new ATOM 806 N LYS A 55 -3.368 3.605 0.413 1.00 0.00 N ATOM 807 CA LYS A 55 -3.284 4.789 -0.435 1.00 0.00 C ATOM 808 C LYS A 55 -1.999 4.780 -1.256 1.00 0.00 C ATOM 809 O LYS A 55 -1.976 5.250 -2.394 1.00 0.00 O ATOM 810 CB LYS A 55 -3.348 6.058 0.418 1.00 0.00 C ATOM 811 CG LYS A 55 -2.129 6.259 1.301 1.00 0.00 C ATOM 812 CD LYS A 55 -1.965 7.715 1.703 1.00 0.00 C ATOM 813 CE LYS A 55 -0.504 8.070 1.929 1.00 0.00 C ATOM 814 NZ LYS A 55 -0.340 9.474 2.399 1.00 0.00 N ATOM 0 H LYS A 55 -3.336 3.800 1.414 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.132 4.776 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.457 6.922 -0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.238 6.019 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.221 5.642 2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.237 5.924 0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.380 8.357 0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.532 7.908 2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.074 7.389 2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.051 7.930 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.457 9.917 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.211 10.009 2.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.151 9.478 3.422 1.00 0.00 H new ATOM 828 N ILE A 56 -0.933 4.242 -0.673 1.00 0.00 N ATOM 829 CA ILE A 56 0.354 4.170 -1.353 1.00 0.00 C ATOM 830 C ILE A 56 0.342 3.101 -2.441 1.00 0.00 C ATOM 831 O ILE A 56 0.666 3.374 -3.598 1.00 0.00 O ATOM 832 CB ILE A 56 1.496 3.868 -0.365 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.686 5.039 0.602 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.787 3.583 -1.119 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.353 4.647 1.901 1.00 0.00 C ATOM 0 H ILE A 56 -0.935 3.850 0.269 1.00 0.00 H new ATOM 0 HA ILE A 56 0.526 5.146 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 56 1.232 2.982 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.283 5.809 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.714 5.480 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.585 3.371 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.645 2.721 -1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.057 4.452 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.455 5.526 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.746 3.899 2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.340 4.233 1.693 1.00 0.00 H new ATOM 847 N LEU A 57 -0.035 1.885 -2.063 1.00 0.00 N ATOM 848 CA LEU A 57 -0.091 0.774 -3.007 1.00 0.00 C ATOM 849 C LEU A 57 -0.944 1.133 -4.220 1.00 0.00 C ATOM 850 O LEU A 57 -0.725 0.624 -5.320 1.00 0.00 O ATOM 851 CB LEU A 57 -0.655 -0.473 -2.324 1.00 0.00 C ATOM 852 CG LEU A 57 0.327 -1.268 -1.462 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.322 -2.546 -0.954 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.591 -1.585 -2.248 1.00 0.00 C ATOM 0 H LEU A 57 -0.306 1.643 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 57 0.924 0.567 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.495 -0.172 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.052 -1.136 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 57 0.602 -0.658 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.392 -3.098 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.197 -2.296 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.627 -3.161 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.278 -2.151 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.334 -2.175 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.067 -0.656 -2.561 1.00 0.00 H new ATOM 866 N LYS A 58 -1.917 2.014 -4.013 1.00 0.00 N ATOM 867 CA LYS A 58 -2.801 2.444 -5.089 1.00 0.00 C ATOM 868 C LYS A 58 -2.180 3.593 -5.877 1.00 0.00 C ATOM 869 O LYS A 58 -1.993 3.497 -7.089 1.00 0.00 O ATOM 870 CB LYS A 58 -4.156 2.874 -4.522 1.00 0.00 C ATOM 871 CG LYS A 58 -5.265 2.911 -5.559 1.00 0.00 C ATOM 872 CD LYS A 58 -6.563 3.439 -4.970 1.00 0.00 C ATOM 873 CE LYS A 58 -6.546 4.956 -4.854 1.00 0.00 C ATOM 874 NZ LYS A 58 -7.758 5.472 -4.160 1.00 0.00 N ATOM 0 H LYS A 58 -2.113 2.444 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.947 1.601 -5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.440 2.189 -3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.056 3.863 -4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.961 3.541 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.426 1.909 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.400 3.130 -5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.722 2.999 -3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.655 5.269 -4.310 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.482 5.396 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.709 6.509 -4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.607 5.195 -4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.805 5.072 -3.201 1.00 0.00 H new ATOM 888 N ASN A 59 -1.862 4.679 -5.179 1.00 0.00 N ATOM 889 CA ASN A 59 -1.261 5.847 -5.814 1.00 0.00 C ATOM 890 C ASN A 59 -0.252 5.427 -6.879 1.00 0.00 C ATOM 891 O ASN A 59 -0.283 5.919 -8.008 1.00 0.00 O ATOM 892 CB ASN A 59 -0.578 6.728 -4.767 1.00 0.00 C ATOM 893 CG ASN A 59 -1.510 7.784 -4.203 1.00 0.00 C ATOM 894 OD1 ASN A 59 -1.240 8.981 -4.301 1.00 0.00 O ATOM 895 ND2 ASN A 59 -2.613 7.344 -3.610 1.00 0.00 N ATOM 0 H ASN A 59 -2.010 4.775 -4.174 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.055 6.417 -6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.208 6.102 -3.955 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.289 7.214 -5.215 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.278 8.008 -3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.796 6.342 -3.552 1.00 0.00 H new ATOM 902 N LEU A 60 0.643 4.516 -6.512 1.00 0.00 N ATOM 903 CA LEU A 60 1.662 4.030 -7.435 1.00 0.00 C ATOM 904 C LEU A 60 1.024 3.412 -8.675 1.00 0.00 C ATOM 905 O LEU A 60 1.427 3.701 -9.801 1.00 0.00 O ATOM 906 CB LEU A 60 2.557 3.001 -6.741 1.00 0.00 C ATOM 907 CG LEU A 60 3.341 3.503 -5.529 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.864 2.333 -4.710 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.487 4.401 -5.970 1.00 0.00 C ATOM 0 H LEU A 60 0.683 4.099 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 60 2.269 4.880 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.936 2.163 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.266 2.614 -7.473 1.00 0.00 H new ATOM 0 HG LEU A 60 2.668 4.088 -4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.420 2.710 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.026 1.728 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.522 1.722 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.034 4.749 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.160 3.840 -6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.089 5.258 -6.514 1.00 0.00 H new ATOM 921 N GLU A 61 0.025 2.562 -8.458 1.00 0.00 N ATOM 922 CA GLU A 61 -0.670 1.905 -9.559 1.00 0.00 C ATOM 923 C GLU A 61 -1.206 2.931 -10.554 1.00 0.00 C ATOM 924 O GLU A 61 -1.535 2.595 -11.692 1.00 0.00 O ATOM 925 CB GLU A 61 -1.819 1.046 -9.027 1.00 0.00 C ATOM 926 CG GLU A 61 -1.392 -0.349 -8.605 1.00 0.00 C ATOM 927 CD GLU A 61 -2.519 -1.359 -8.700 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.437 -1.146 -9.520 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.483 -2.361 -7.957 1.00 0.00 O ATOM 0 H GLU A 61 -0.321 2.313 -7.531 1.00 0.00 H new ATOM 0 HA GLU A 61 0.045 1.264 -10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.274 1.551 -8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.587 0.964 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.563 -0.676 -9.232 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.023 -0.317 -7.580 1.00 0.00 H new ATOM 936 N SER A 62 -1.290 4.183 -10.116 1.00 0.00 N ATOM 937 CA SER A 62 -1.790 5.258 -10.966 1.00 0.00 C ATOM 938 C SER A 62 -0.653 5.898 -11.757 1.00 0.00 C ATOM 939 O SER A 62 -0.856 6.400 -12.863 1.00 0.00 O ATOM 940 CB SER A 62 -2.498 6.318 -10.120 1.00 0.00 C ATOM 941 OG SER A 62 -3.482 7.001 -10.877 1.00 0.00 O ATOM 0 H SER A 62 -1.019 4.478 -9.178 1.00 0.00 H new ATOM 0 HA SER A 62 -2.503 4.830 -11.670 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.963 5.846 -9.255 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.767 7.032 -9.739 1.00 0.00 H new ATOM 0 HG SER A 62 -3.921 7.672 -10.313 1.00 0.00 H new ATOM 947 N LYS A 63 0.545 5.876 -11.182 1.00 0.00 N ATOM 948 CA LYS A 63 1.716 6.452 -11.832 1.00 0.00 C ATOM 949 C LYS A 63 2.352 5.453 -12.793 1.00 0.00 C ATOM 950 O LYS A 63 3.428 5.698 -13.338 1.00 0.00 O ATOM 951 CB LYS A 63 2.742 6.891 -10.784 1.00 0.00 C ATOM 952 CG LYS A 63 2.166 7.803 -9.714 1.00 0.00 C ATOM 953 CD LYS A 63 3.016 7.791 -8.455 1.00 0.00 C ATOM 954 CE LYS A 63 2.942 9.120 -7.720 1.00 0.00 C ATOM 955 NZ LYS A 63 3.374 10.255 -8.582 1.00 0.00 N ATOM 0 H LYS A 63 0.730 5.465 -10.267 1.00 0.00 H new ATOM 0 HA LYS A 63 1.392 7.322 -12.403 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.163 6.006 -10.307 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.563 7.405 -11.284 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.099 8.820 -10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.151 7.486 -9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.680 6.990 -7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.052 7.576 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.921 9.291 -7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.571 9.079 -6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.050 10.849 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.828 9.885 -9.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.545 10.825 -8.847 1.00 0.00 H new ATOM 969 N LYS A 64 1.678 4.326 -12.999 1.00 0.00 N ATOM 970 CA LYS A 64 2.175 3.290 -13.897 1.00 0.00 C ATOM 971 C LYS A 64 3.467 2.681 -13.362 1.00 0.00 C ATOM 972 O LYS A 64 4.312 2.218 -14.131 1.00 0.00 O ATOM 973 CB LYS A 64 2.411 3.868 -15.294 1.00 0.00 C ATOM 974 CG LYS A 64 1.182 4.529 -15.894 1.00 0.00 C ATOM 975 CD LYS A 64 0.326 3.529 -16.653 1.00 0.00 C ATOM 976 CE LYS A 64 -0.787 4.221 -17.425 1.00 0.00 C ATOM 977 NZ LYS A 64 -1.507 3.278 -18.326 1.00 0.00 N ATOM 0 H LYS A 64 0.786 4.107 -12.556 1.00 0.00 H new ATOM 0 HA LYS A 64 1.422 2.504 -13.958 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.218 4.599 -15.244 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.744 3.070 -15.957 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.591 4.988 -15.101 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.490 5.330 -16.566 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.952 2.963 -17.343 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.106 2.813 -15.954 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.494 4.664 -16.724 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.368 5.037 -18.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.258 3.788 -18.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.838 2.874 -19.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.929 2.513 -17.762 1.00 0.00 H new ATOM 991 N LEU A 65 3.615 2.683 -12.042 1.00 0.00 N ATOM 992 CA LEU A 65 4.804 2.128 -11.405 1.00 0.00 C ATOM 993 C LEU A 65 4.584 0.670 -11.015 1.00 0.00 C ATOM 994 O LEU A 65 5.491 -0.155 -11.122 1.00 0.00 O ATOM 995 CB LEU A 65 5.173 2.948 -10.168 1.00 0.00 C ATOM 996 CG LEU A 65 5.442 4.435 -10.403 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.514 5.181 -9.080 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.727 4.626 -11.196 1.00 0.00 C ATOM 0 H LEU A 65 2.927 3.063 -11.392 1.00 0.00 H new ATOM 0 HA LEU A 65 5.624 2.173 -12.122 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.365 2.856 -9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.061 2.506 -9.715 1.00 0.00 H new ATOM 0 HG LEU A 65 4.616 4.846 -10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.706 6.237 -9.268 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.568 5.073 -8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.320 4.768 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.902 5.690 -11.354 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.563 4.199 -10.642 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.637 4.126 -12.160 1.00 0.00 H new ATOM 1010 N ILE A 66 3.373 0.360 -10.565 1.00 0.00 N ATOM 1011 CA ILE A 66 3.032 -0.999 -10.163 1.00 0.00 C ATOM 1012 C ILE A 66 1.621 -1.367 -10.609 1.00 0.00 C ATOM 1013 O ILE A 66 0.946 -0.586 -11.279 1.00 0.00 O ATOM 1014 CB ILE A 66 3.140 -1.178 -8.638 1.00 0.00 C ATOM 1015 CG1 ILE A 66 2.170 -0.236 -7.922 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.568 -0.929 -8.175 1.00 0.00 C ATOM 1017 CD1 ILE A 66 2.010 -0.539 -6.448 1.00 0.00 C ATOM 0 H ILE A 66 2.611 1.032 -10.470 1.00 0.00 H new ATOM 0 HA ILE A 66 3.748 -1.661 -10.650 1.00 0.00 H new ATOM 0 HB ILE A 66 2.872 -2.204 -8.388 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.520 0.790 -8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.195 -0.296 -8.405 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.628 -1.059 -7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.238 -1.637 -8.664 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.863 0.088 -8.435 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.308 0.168 -6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.630 -1.553 -6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.976 -0.450 -5.951 1.00 0.00 H new ATOM 1029 N LYS A 67 1.179 -2.561 -10.230 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.153 -3.034 -10.587 1.00 0.00 C ATOM 1031 C LYS A 67 -0.658 -4.055 -9.573 1.00 0.00 C ATOM 1032 O LYS A 67 0.124 -4.635 -8.820 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.140 -3.652 -11.987 1.00 0.00 C ATOM 1034 CG LYS A 67 0.901 -4.745 -12.159 1.00 0.00 C ATOM 1035 CD LYS A 67 0.556 -5.666 -13.316 1.00 0.00 C ATOM 1036 CE LYS A 67 1.437 -6.906 -13.324 1.00 0.00 C ATOM 1037 NZ LYS A 67 1.153 -7.782 -14.494 1.00 0.00 N ATOM 0 H LYS A 67 1.725 -3.220 -9.675 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.828 -2.178 -10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.126 -4.064 -12.203 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.045 -2.867 -12.720 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.878 -4.294 -12.331 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.975 -5.326 -11.240 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.491 -5.963 -13.247 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.673 -5.129 -14.257 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.485 -6.607 -13.341 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.281 -7.468 -12.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.619 -8.702 -14.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.126 -7.923 -14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.515 -7.333 -15.360 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.969 -4.272 -9.561 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.577 -5.227 -8.642 1.00 0.00 C ATOM 1053 C ALA A 68 -2.804 -6.573 -9.320 1.00 0.00 C ATOM 1054 O ALA A 68 -3.366 -6.642 -10.414 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.889 -4.677 -8.102 1.00 0.00 C ATOM 0 H ALA A 68 -2.631 -3.800 -10.177 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.890 -5.381 -7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.332 -5.400 -7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.701 -3.743 -7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.575 -4.493 -8.929 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.364 -7.643 -8.665 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.520 -8.988 -9.205 1.00 0.00 C ATOM 1063 C VAL A 69 -3.195 -9.910 -8.197 1.00 0.00 C ATOM 1064 O VAL A 69 -3.085 -9.713 -6.986 1.00 0.00 O ATOM 1065 CB VAL A 69 -1.161 -9.592 -9.607 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -1.328 -11.041 -10.041 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.517 -8.767 -10.711 1.00 0.00 C ATOM 0 H VAL A 69 -1.897 -7.604 -7.759 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.148 -8.902 -10.092 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.503 -9.571 -8.739 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.358 -11.451 -10.321 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.743 -11.622 -9.217 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.003 -11.089 -10.896 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.442 -9.208 -10.982 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.170 -8.754 -11.583 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.361 -7.747 -10.359 1.00 0.00 H new ATOM 1077 N LYS A 70 -3.895 -10.920 -8.703 1.00 0.00 N ATOM 1078 CA LYS A 70 -4.588 -11.876 -7.847 1.00 0.00 C ATOM 1079 C LYS A 70 -3.988 -13.271 -7.992 1.00 0.00 C ATOM 1080 O LYS A 70 -3.500 -13.639 -9.061 1.00 0.00 O ATOM 1081 CB LYS A 70 -6.079 -11.912 -8.191 1.00 0.00 C ATOM 1082 CG LYS A 70 -6.910 -10.921 -7.396 1.00 0.00 C ATOM 1083 CD LYS A 70 -6.890 -11.240 -5.911 1.00 0.00 C ATOM 1084 CE LYS A 70 -8.141 -10.729 -5.213 1.00 0.00 C ATOM 1085 NZ LYS A 70 -8.311 -9.259 -5.385 1.00 0.00 N ATOM 0 H LYS A 70 -3.997 -11.098 -9.702 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.468 -11.554 -6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.203 -11.707 -9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.460 -12.918 -8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.528 -9.913 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.938 -10.934 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.809 -12.318 -5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.008 -10.791 -5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.015 -11.245 -5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.087 -10.966 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.322 -9.019 -5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.803 -8.760 -4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.927 -8.971 -6.308 1.00 0.00 H new ATOM 1099 N SER A 71 -4.029 -14.043 -6.911 1.00 0.00 N ATOM 1100 CA SER A 71 -3.487 -15.397 -6.918 1.00 0.00 C ATOM 1101 C SER A 71 -4.600 -16.428 -6.765 1.00 0.00 C ATOM 1102 O SER A 71 -5.706 -16.106 -6.331 1.00 0.00 O ATOM 1103 CB SER A 71 -2.463 -15.565 -5.794 1.00 0.00 C ATOM 1104 OG SER A 71 -1.478 -16.523 -6.139 1.00 0.00 O ATOM 0 H SER A 71 -4.432 -13.754 -6.019 1.00 0.00 H new ATOM 0 HA SER A 71 -2.994 -15.560 -7.876 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.986 -14.607 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.970 -15.873 -4.880 1.00 0.00 H new ATOM 0 HG SER A 71 -0.835 -16.610 -5.405 1.00 0.00 H new ATOM 1110 N VAL A 72 -4.300 -17.672 -7.126 1.00 0.00 N ATOM 1111 CA VAL A 72 -5.274 -18.753 -7.029 1.00 0.00 C ATOM 1112 C VAL A 72 -6.099 -18.635 -5.752 1.00 0.00 C ATOM 1113 O VAL A 72 -7.316 -18.816 -5.769 1.00 0.00 O ATOM 1114 CB VAL A 72 -4.587 -20.131 -7.058 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -3.508 -20.214 -5.990 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -5.613 -21.240 -6.879 1.00 0.00 C ATOM 0 H VAL A 72 -3.390 -17.956 -7.488 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.932 -18.666 -7.893 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.111 -20.260 -8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.034 -21.195 -6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.759 -19.443 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.956 -20.064 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.111 -22.207 -6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.119 -21.116 -5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.345 -21.192 -7.685 1.00 0.00 H new ATOM 1126 N ALA A 73 -5.428 -18.331 -4.646 1.00 0.00 N ATOM 1127 CA ALA A 73 -6.100 -18.187 -3.360 1.00 0.00 C ATOM 1128 C ALA A 73 -7.392 -17.390 -3.502 1.00 0.00 C ATOM 1129 O ALA A 73 -7.644 -16.778 -4.540 1.00 0.00 O ATOM 1130 CB ALA A 73 -5.174 -17.521 -2.353 1.00 0.00 C ATOM 0 H ALA A 73 -4.420 -18.180 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.357 -19.183 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.688 -17.420 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.280 -18.131 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.889 -16.534 -2.718 1.00 0.00 H new ATOM 1136 N ALA A 74 -8.208 -17.403 -2.453 1.00 0.00 N ATOM 1137 CA ALA A 74 -9.474 -16.681 -2.461 1.00 0.00 C ATOM 1138 C ALA A 74 -9.301 -15.277 -3.032 1.00 0.00 C ATOM 1139 O ALA A 74 -8.180 -14.822 -3.258 1.00 0.00 O ATOM 1140 CB ALA A 74 -10.052 -16.613 -1.056 1.00 0.00 C ATOM 0 H ALA A 74 -8.015 -17.906 -1.587 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.169 -17.223 -3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.997 -16.071 -1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.221 -17.623 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.352 -16.096 -0.399 1.00 0.00 H new ATOM 1146 N SER A 75 -10.418 -14.595 -3.263 1.00 0.00 N ATOM 1147 CA SER A 75 -10.390 -13.245 -3.812 1.00 0.00 C ATOM 1148 C SER A 75 -10.146 -12.216 -2.712 1.00 0.00 C ATOM 1149 O SER A 75 -10.060 -11.017 -2.974 1.00 0.00 O ATOM 1150 CB SER A 75 -11.704 -12.936 -4.532 1.00 0.00 C ATOM 1151 OG SER A 75 -11.876 -13.775 -5.661 1.00 0.00 O ATOM 0 H SER A 75 -11.354 -14.956 -3.078 1.00 0.00 H new ATOM 0 HA SER A 75 -9.570 -13.188 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.539 -13.070 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.714 -11.892 -4.846 1.00 0.00 H new ATOM 0 HG SER A 75 -12.724 -13.559 -6.103 1.00 0.00 H new ATOM 1157 N LYS A 76 -10.036 -12.695 -1.477 1.00 0.00 N ATOM 1158 CA LYS A 76 -9.801 -11.820 -0.335 1.00 0.00 C ATOM 1159 C LYS A 76 -8.312 -11.535 -0.165 1.00 0.00 C ATOM 1160 O LYS A 76 -7.681 -12.015 0.776 1.00 0.00 O ATOM 1161 CB LYS A 76 -10.359 -12.453 0.942 1.00 0.00 C ATOM 1162 CG LYS A 76 -11.864 -12.312 1.083 1.00 0.00 C ATOM 1163 CD LYS A 76 -12.240 -11.017 1.784 1.00 0.00 C ATOM 1164 CE LYS A 76 -13.736 -10.938 2.045 1.00 0.00 C ATOM 1165 NZ LYS A 76 -14.475 -10.385 0.876 1.00 0.00 N ATOM 0 H LYS A 76 -10.106 -13.685 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.315 -10.877 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.099 -13.511 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.877 -11.994 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.327 -12.340 0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.259 -13.159 1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.701 -10.943 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.931 -10.169 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.117 -11.932 2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.920 -10.313 2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.491 -10.347 1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.130 -9.426 0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.321 -10.995 0.048 1.00 0.00 H new ATOM 1179 N LYS A 77 -7.757 -10.749 -1.081 1.00 0.00 N ATOM 1180 CA LYS A 77 -6.342 -10.397 -1.032 1.00 0.00 C ATOM 1181 C LYS A 77 -6.012 -9.327 -2.067 1.00 0.00 C ATOM 1182 O LYS A 77 -6.829 -9.012 -2.933 1.00 0.00 O ATOM 1183 CB LYS A 77 -5.478 -11.638 -1.272 1.00 0.00 C ATOM 1184 CG LYS A 77 -6.160 -12.700 -2.118 1.00 0.00 C ATOM 1185 CD LYS A 77 -5.313 -13.957 -2.223 1.00 0.00 C ATOM 1186 CE LYS A 77 -4.087 -13.731 -3.094 1.00 0.00 C ATOM 1187 NZ LYS A 77 -2.926 -13.239 -2.301 1.00 0.00 N ATOM 0 H LYS A 77 -8.265 -10.343 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.126 -9.998 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.551 -11.336 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.205 -12.072 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.128 -12.948 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.351 -12.305 -3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.000 -14.271 -1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.912 -14.767 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.818 -14.663 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.325 -13.009 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.682 -12.275 -2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.173 -13.232 -1.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.111 -13.866 -2.453 1.00 0.00 H new ATOM 1201 N LYS A 78 -4.809 -8.771 -1.974 1.00 0.00 N ATOM 1202 CA LYS A 78 -4.368 -7.738 -2.903 1.00 0.00 C ATOM 1203 C LYS A 78 -2.848 -7.728 -3.025 1.00 0.00 C ATOM 1204 O LYS A 78 -2.145 -7.289 -2.115 1.00 0.00 O ATOM 1205 CB LYS A 78 -4.863 -6.364 -2.443 1.00 0.00 C ATOM 1206 CG LYS A 78 -4.894 -5.326 -3.551 1.00 0.00 C ATOM 1207 CD LYS A 78 -6.053 -5.562 -4.504 1.00 0.00 C ATOM 1208 CE LYS A 78 -7.327 -4.896 -4.008 1.00 0.00 C ATOM 1209 NZ LYS A 78 -8.504 -5.256 -4.845 1.00 0.00 N ATOM 0 H LYS A 78 -4.121 -9.019 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.792 -7.961 -3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.865 -6.469 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.220 -6.006 -1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.977 -4.330 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.955 -5.355 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.799 -5.174 -5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.221 -6.633 -4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.512 -5.191 -2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.196 -3.814 -4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.352 -4.782 -4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.339 -4.952 -5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.645 -6.286 -4.821 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.347 -8.214 -4.156 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.910 -8.258 -4.399 1.00 0.00 C ATOM 1225 C VAL A 79 -0.480 -7.157 -5.361 1.00 0.00 C ATOM 1226 O VAL A 79 -1.199 -6.827 -6.304 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.479 -9.622 -4.971 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.033 -9.774 -4.908 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -1.169 -10.754 -4.226 1.00 0.00 C ATOM 0 H VAL A 79 -2.915 -8.583 -4.919 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.422 -8.105 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.781 -9.670 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.319 -10.743 -5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.503 -8.982 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.363 -9.706 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.853 -11.710 -4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.900 -10.712 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.249 -10.652 -4.329 1.00 0.00 H new ATOM 1239 N TYR A 80 0.697 -6.591 -5.116 1.00 0.00 N ATOM 1240 CA TYR A 80 1.222 -5.524 -5.960 1.00 0.00 C ATOM 1241 C TYR A 80 2.609 -5.879 -6.487 1.00 0.00 C ATOM 1242 O TYR A 80 3.414 -6.490 -5.784 1.00 0.00 O ATOM 1243 CB TYR A 80 1.282 -4.210 -5.179 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.078 -3.667 -4.802 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.734 -4.114 -3.662 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.707 -2.708 -5.587 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -1.977 -3.621 -3.314 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -1.949 -2.209 -5.246 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.580 -2.669 -4.109 1.00 0.00 C ATOM 1250 OH TYR A 80 -3.818 -2.175 -3.767 1.00 0.00 O ATOM 0 H TYR A 80 1.305 -6.853 -4.340 1.00 0.00 H new ATOM 0 HA TYR A 80 0.550 -5.404 -6.810 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.867 -4.363 -4.272 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.808 -3.466 -5.777 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.265 -4.859 -3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.216 -2.347 -6.479 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.474 -3.979 -2.424 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.423 -1.463 -5.866 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.100 -1.512 -4.431 1.00 0.00 H new ATOM 1260 N MET A 81 2.881 -5.491 -7.728 1.00 0.00 N ATOM 1261 CA MET A 81 4.171 -5.767 -8.350 1.00 0.00 C ATOM 1262 C MET A 81 4.481 -4.742 -9.436 1.00 0.00 C ATOM 1263 O MET A 81 3.587 -4.046 -9.920 1.00 0.00 O ATOM 1264 CB MET A 81 4.185 -7.177 -8.943 1.00 0.00 C ATOM 1265 CG MET A 81 3.616 -7.249 -10.351 1.00 0.00 C ATOM 1266 SD MET A 81 3.870 -8.860 -11.121 1.00 0.00 S ATOM 1267 CE MET A 81 2.993 -9.923 -9.978 1.00 0.00 C ATOM 0 H MET A 81 2.226 -4.984 -8.323 1.00 0.00 H new ATOM 0 HA MET A 81 4.940 -5.698 -7.580 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.210 -7.547 -8.955 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.614 -7.841 -8.294 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.549 -7.030 -10.319 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.081 -6.479 -10.967 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.520 -10.737 -10.528 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.695 -10.334 -9.252 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.229 -9.346 -9.457 1.00 0.00 H new ATOM 1277 N LEU A 82 5.751 -4.654 -9.815 1.00 0.00 N ATOM 1278 CA LEU A 82 6.179 -3.714 -10.845 1.00 0.00 C ATOM 1279 C LEU A 82 5.215 -3.725 -12.027 1.00 0.00 C ATOM 1280 O LEU A 82 4.748 -4.783 -12.451 1.00 0.00 O ATOM 1281 CB LEU A 82 7.591 -4.056 -11.322 1.00 0.00 C ATOM 1282 CG LEU A 82 8.738 -3.420 -10.534 1.00 0.00 C ATOM 1283 CD1 LEU A 82 10.035 -4.177 -10.775 1.00 0.00 C ATOM 1284 CD2 LEU A 82 8.895 -1.954 -10.911 1.00 0.00 C ATOM 0 H LEU A 82 6.503 -5.222 -9.424 1.00 0.00 H new ATOM 0 HA LEU A 82 6.181 -2.714 -10.410 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.711 -5.139 -11.290 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.683 -3.756 -12.366 1.00 0.00 H new ATOM 0 HG LEU A 82 8.500 -3.478 -9.472 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.840 -3.710 -10.207 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.917 -5.212 -10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.279 -4.152 -11.837 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.715 -1.518 -10.341 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.110 -1.873 -11.976 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.972 -1.420 -10.686 1.00 0.00 H new ATOM 1296 N TYR A 83 4.922 -2.542 -12.557 1.00 0.00 N ATOM 1297 CA TYR A 83 4.014 -2.416 -13.690 1.00 0.00 C ATOM 1298 C TYR A 83 4.685 -2.877 -14.981 1.00 0.00 C ATOM 1299 O TYR A 83 4.031 -3.405 -15.879 1.00 0.00 O ATOM 1300 CB TYR A 83 3.545 -0.967 -13.836 1.00 0.00 C ATOM 1301 CG TYR A 83 2.502 -0.773 -14.914 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.377 -1.586 -14.973 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.643 0.223 -15.872 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.422 -1.413 -15.957 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.693 0.404 -16.859 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.585 -0.416 -16.897 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.365 -0.240 -17.877 1.00 0.00 O ATOM 0 H TYR A 83 5.301 -1.657 -12.220 1.00 0.00 H new ATOM 0 HA TYR A 83 3.150 -3.054 -13.503 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.138 -0.628 -12.883 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.406 -0.336 -14.057 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.247 -2.366 -14.238 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.510 0.867 -15.845 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.446 -2.054 -15.990 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.818 1.183 -17.596 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.102 0.504 -18.458 1.00 0.00 H new ATOM 1317 N ASN A 84 5.996 -2.673 -15.063 1.00 0.00 N ATOM 1318 CA ASN A 84 6.757 -3.067 -16.243 1.00 0.00 C ATOM 1319 C ASN A 84 6.800 -4.586 -16.381 1.00 0.00 C ATOM 1320 O ASN A 84 6.689 -5.124 -17.483 1.00 0.00 O ATOM 1321 CB ASN A 84 8.181 -2.511 -16.166 1.00 0.00 C ATOM 1322 CG ASN A 84 8.909 -2.600 -17.493 1.00 0.00 C ATOM 1323 OD1 ASN A 84 9.852 -3.377 -17.646 1.00 0.00 O ATOM 1324 ND2 ASN A 84 8.473 -1.802 -18.461 1.00 0.00 N ATOM 0 H ASN A 84 6.553 -2.238 -14.327 1.00 0.00 H new ATOM 0 HA ASN A 84 6.259 -2.654 -17.120 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.145 -1.470 -15.844 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.742 -3.060 -15.409 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.923 -1.817 -19.376 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.688 -1.174 -18.289 1.00 0.00 H new ATOM 1331 N LEU A 85 6.960 -5.272 -15.255 1.00 0.00 N ATOM 1332 CA LEU A 85 7.016 -6.730 -15.248 1.00 0.00 C ATOM 1333 C LEU A 85 5.803 -7.325 -15.957 1.00 0.00 C ATOM 1334 O LEU A 85 4.681 -6.847 -15.793 1.00 0.00 O ATOM 1335 CB LEU A 85 7.089 -7.251 -13.812 1.00 0.00 C ATOM 1336 CG LEU A 85 8.372 -6.929 -13.045 1.00 0.00 C ATOM 1337 CD1 LEU A 85 8.310 -7.500 -11.637 1.00 0.00 C ATOM 1338 CD2 LEU A 85 9.586 -7.466 -13.788 1.00 0.00 C ATOM 0 H LEU A 85 7.053 -4.842 -14.335 1.00 0.00 H new ATOM 0 HA LEU A 85 7.914 -7.037 -15.785 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.245 -6.843 -13.256 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.964 -8.334 -13.833 1.00 0.00 H new ATOM 0 HG LEU A 85 8.466 -5.846 -12.971 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.232 -7.261 -11.106 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.463 -7.067 -11.106 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.191 -8.582 -11.688 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.490 -7.228 -13.228 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.499 -8.547 -13.894 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.640 -7.008 -14.776 1.00 0.00 H new ATOM 1350 N SER A 86 6.037 -8.372 -16.742 1.00 0.00 N ATOM 1351 CA SER A 86 4.964 -9.031 -17.476 1.00 0.00 C ATOM 1352 C SER A 86 4.445 -10.243 -16.708 1.00 0.00 C ATOM 1353 O SER A 86 4.995 -11.339 -16.811 1.00 0.00 O ATOM 1354 CB SER A 86 5.454 -9.462 -18.860 1.00 0.00 C ATOM 1355 OG SER A 86 6.517 -10.394 -18.758 1.00 0.00 O ATOM 0 H SER A 86 6.960 -8.782 -16.886 1.00 0.00 H new ATOM 0 HA SER A 86 4.147 -8.319 -17.593 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.630 -9.905 -19.419 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.785 -8.588 -19.420 1.00 0.00 H new ATOM 0 HG SER A 86 6.278 -11.094 -18.115 1.00 0.00 H new ATOM 1361 N GLY A 87 3.381 -10.037 -15.938 1.00 0.00 N ATOM 1362 CA GLY A 87 2.805 -11.120 -15.163 1.00 0.00 C ATOM 1363 C GLY A 87 1.559 -11.695 -15.808 1.00 0.00 C ATOM 1364 O GLY A 87 1.184 -11.326 -16.921 1.00 0.00 O ATOM 0 H GLY A 87 2.908 -9.139 -15.837 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.546 -11.910 -15.042 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.560 -10.758 -14.165 1.00 0.00 H new ATOM 1368 N PRO A 88 0.896 -12.622 -15.100 1.00 0.00 N ATOM 1369 CA PRO A 88 -0.324 -13.269 -15.591 1.00 0.00 C ATOM 1370 C PRO A 88 -1.511 -12.312 -15.635 1.00 0.00 C ATOM 1371 O PRO A 88 -1.561 -11.336 -14.886 1.00 0.00 O ATOM 1372 CB PRO A 88 -0.571 -14.381 -14.569 1.00 0.00 C ATOM 1373 CG PRO A 88 0.090 -13.904 -13.322 1.00 0.00 C ATOM 1374 CD PRO A 88 1.286 -13.109 -13.766 1.00 0.00 C ATOM 0 HA PRO A 88 -0.211 -13.628 -16.614 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.637 -14.546 -14.414 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.147 -15.328 -14.904 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.589 -13.290 -12.731 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.390 -14.743 -12.694 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.497 -12.286 -13.084 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.184 -13.725 -13.810 1.00 0.00 H new ATOM 1382 N SER A 89 -2.464 -12.598 -16.515 1.00 0.00 N ATOM 1383 CA SER A 89 -3.649 -11.761 -16.659 1.00 0.00 C ATOM 1384 C SER A 89 -4.878 -12.608 -16.976 1.00 0.00 C ATOM 1385 O SER A 89 -4.846 -13.460 -17.864 1.00 0.00 O ATOM 1386 CB SER A 89 -3.435 -10.721 -17.759 1.00 0.00 C ATOM 1387 OG SER A 89 -3.114 -11.342 -18.992 1.00 0.00 O ATOM 0 H SER A 89 -2.439 -13.404 -17.140 1.00 0.00 H new ATOM 0 HA SER A 89 -3.817 -11.248 -15.712 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.336 -10.119 -17.875 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.633 -10.042 -17.471 1.00 0.00 H new ATOM 0 HG SER A 89 -3.460 -12.259 -18.996 1.00 0.00 H new ATOM 1393 N SER A 90 -5.960 -12.367 -16.243 1.00 0.00 N ATOM 1394 CA SER A 90 -7.199 -13.110 -16.443 1.00 0.00 C ATOM 1395 C SER A 90 -8.410 -12.250 -16.095 1.00 0.00 C ATOM 1396 O SER A 90 -8.338 -11.375 -15.232 1.00 0.00 O ATOM 1397 CB SER A 90 -7.200 -14.380 -15.591 1.00 0.00 C ATOM 1398 OG SER A 90 -6.242 -15.312 -16.062 1.00 0.00 O ATOM 0 H SER A 90 -6.004 -11.664 -15.506 1.00 0.00 H new ATOM 0 HA SER A 90 -7.262 -13.387 -17.495 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.984 -14.125 -14.553 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.191 -14.833 -15.609 1.00 0.00 H new ATOM 0 HG SER A 90 -6.262 -16.114 -15.499 1.00 0.00 H new ATOM 1404 N GLY A 91 -9.525 -12.505 -16.774 1.00 0.00 N ATOM 1405 CA GLY A 91 -10.736 -11.746 -16.524 1.00 0.00 C ATOM 1406 C GLY A 91 -11.671 -11.737 -17.717 1.00 0.00 C ATOM 1407 O GLY A 91 -12.645 -10.984 -17.744 1.00 0.00 O ATOM 0 H GLY A 91 -9.611 -13.224 -17.493 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.254 -12.168 -15.663 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.472 -10.721 -16.266 1.00 0.00 H new TER 1411 GLY A 91