USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 589 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 48 THR OG1 : rot 115:sc= 0.347 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.352 USER MOD Set 2.1: A 36 GLN : amide:sc= -0.756 K(o=0.29,f=-1.7) USER MOD Set 2.2: A 39 LYS NZ :NH3+ 174:sc= 1.05 (180deg=0) USER MOD Single : A 1 MET CE :methyl 136:sc= -0.117 (180deg=-0.685) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.188 (180deg=-0.284) USER MOD Single : A 3 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0719 X(o=-0.072,f=-0.37) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 11 MET CE :methyl -160:sc= -0.157 (180deg=-0.679) USER MOD Single : A 12 SER OG : rot 47:sc= 0.146 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0325) USER MOD Single : A 25 ASN : amide:sc= 1.29 K(o=1.3,f=-0.014) USER MOD Single : A 29 MET CE :methyl 165:sc= -0.405 (180deg=-1.16) USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= 0.644 (180deg=0.0388) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -41:sc= 0.867 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 1.03 (180deg=0.97) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.469 K(o=0.47,f=-1.3) USER MOD Single : A 62 GLN : amide:sc= 0.55 K(o=0.55,f=0) USER MOD Single : A 64 SER OG : rot 71:sc= 0.789 USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00618) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.587 23.123 -18.126 1.00 24.23 N ATOM 2 CA MET A 1 -6.751 22.968 -19.031 1.00 52.54 C ATOM 3 C MET A 1 -6.299 22.915 -20.488 1.00 4.11 C ATOM 4 O MET A 1 -7.121 22.951 -21.405 1.00 41.23 O ATOM 5 CB MET A 1 -7.733 24.130 -18.829 1.00 21.12 C ATOM 6 CG MET A 1 -7.190 25.481 -19.280 1.00 21.31 C ATOM 7 SD MET A 1 -8.313 26.845 -18.921 1.00 40.31 S ATOM 8 CE MET A 1 -8.321 26.805 -17.130 1.00 22.53 C ATOM 0 H1 MET A 1 -5.921 23.309 -17.159 1.00 24.23 H new ATOM 0 H2 MET A 1 -5.022 22.250 -18.135 1.00 24.23 H new ATOM 0 H3 MET A 1 -5.000 23.919 -18.449 1.00 24.23 H new ATOM 0 HA MET A 1 -7.252 22.030 -18.790 1.00 52.54 H new ATOM 0 HB2 MET A 1 -8.651 23.917 -19.377 1.00 21.12 H new ATOM 0 HB3 MET A 1 -7.998 24.190 -17.773 1.00 21.12 H new ATOM 0 HG2 MET A 1 -6.235 25.665 -18.789 1.00 21.31 H new ATOM 0 HG3 MET A 1 -6.996 25.449 -20.352 1.00 21.31 H new ATOM 0 HE1 MET A 1 -8.238 27.821 -16.743 1.00 22.53 H new ATOM 0 HE2 MET A 1 -9.252 26.358 -16.780 1.00 22.53 H new ATOM 0 HE3 MET A 1 -7.478 26.212 -16.776 1.00 22.53 H new ATOM 20 N GLY A 2 -4.990 22.800 -20.695 1.00 55.13 N ATOM 21 CA GLY A 2 -4.442 22.830 -22.035 1.00 15.43 C ATOM 22 C GLY A 2 -4.461 21.475 -22.712 1.00 35.23 C ATOM 23 O GLY A 2 -4.281 21.383 -23.926 1.00 1.05 O ATOM 0 H GLY A 2 -4.299 22.686 -19.954 1.00 55.13 H new ATOM 0 HA2 GLY A 2 -5.009 23.539 -22.638 1.00 15.43 H new ATOM 0 HA3 GLY A 2 -3.416 23.195 -21.994 1.00 15.43 H new ATOM 27 N HIS A 3 -4.674 20.419 -21.937 1.00 23.01 N ATOM 28 CA HIS A 3 -4.718 19.074 -22.497 1.00 72.31 C ATOM 29 C HIS A 3 -5.933 18.315 -21.977 1.00 65.41 C ATOM 30 O HIS A 3 -6.302 18.447 -20.808 1.00 35.22 O ATOM 31 CB HIS A 3 -3.418 18.304 -22.198 1.00 23.24 C ATOM 32 CG HIS A 3 -3.205 17.934 -20.755 1.00 71.35 C ATOM 33 ND1 HIS A 3 -2.473 18.703 -19.876 1.00 63.21 N ATOM 34 CD2 HIS A 3 -3.618 16.852 -20.047 1.00 54.24 C ATOM 35 CE1 HIS A 3 -2.445 18.112 -18.695 1.00 3.31 C ATOM 36 NE2 HIS A 3 -3.133 16.991 -18.774 1.00 34.21 N ATOM 0 H HIS A 3 -4.818 20.466 -20.928 1.00 23.01 H new ATOM 0 HA HIS A 3 -4.809 19.163 -23.580 1.00 72.31 H new ATOM 0 HB2 HIS A 3 -3.411 17.392 -22.794 1.00 23.24 H new ATOM 0 HB3 HIS A 3 -2.573 18.908 -22.529 1.00 23.24 H new ATOM 0 HD2 HIS A 3 -4.217 16.034 -20.418 1.00 54.24 H new ATOM 0 HE1 HIS A 3 -1.943 18.484 -17.814 1.00 3.31 H new ATOM 0 HE2 HIS A 3 -3.281 16.332 -18.009 1.00 34.21 H new ATOM 45 N HIS A 4 -6.552 17.526 -22.843 1.00 50.34 N ATOM 46 CA HIS A 4 -7.745 16.777 -22.466 1.00 74.03 C ATOM 47 C HIS A 4 -7.413 15.327 -22.143 1.00 43.44 C ATOM 48 O HIS A 4 -7.485 14.919 -20.985 1.00 32.23 O ATOM 49 CB HIS A 4 -8.813 16.856 -23.559 1.00 71.04 C ATOM 50 CG HIS A 4 -9.465 18.198 -23.651 1.00 73.02 C ATOM 51 ND1 HIS A 4 -10.559 18.553 -22.897 1.00 61.11 N ATOM 52 CD2 HIS A 4 -9.173 19.274 -24.414 1.00 54.22 C ATOM 53 CE1 HIS A 4 -10.914 19.787 -23.195 1.00 45.40 C ATOM 54 NE2 HIS A 4 -10.089 20.249 -24.113 1.00 71.12 N ATOM 0 H HIS A 4 -6.251 17.387 -23.808 1.00 50.34 H new ATOM 0 HA HIS A 4 -8.147 17.237 -21.563 1.00 74.03 H new ATOM 0 HB2 HIS A 4 -8.359 16.614 -24.520 1.00 71.04 H new ATOM 0 HB3 HIS A 4 -9.576 16.101 -23.368 1.00 71.04 H new ATOM 0 HD2 HIS A 4 -8.367 19.352 -25.129 1.00 54.22 H new ATOM 0 HE1 HIS A 4 -11.741 20.328 -22.760 1.00 45.40 H new ATOM 0 HE2 HIS A 4 -10.126 21.179 -24.531 1.00 71.12 H new ATOM 63 N HIS A 5 -7.047 14.543 -23.153 1.00 74.42 N ATOM 64 CA HIS A 5 -6.730 13.138 -22.931 1.00 3.31 C ATOM 65 C HIS A 5 -5.790 12.582 -23.999 1.00 2.32 C ATOM 66 O HIS A 5 -6.148 12.446 -25.167 1.00 31.50 O ATOM 67 CB HIS A 5 -8.005 12.280 -22.841 1.00 32.14 C ATOM 68 CG HIS A 5 -8.926 12.377 -24.027 1.00 25.14 C ATOM 69 ND1 HIS A 5 -8.909 11.482 -25.075 1.00 65.23 N ATOM 70 CD2 HIS A 5 -9.912 13.261 -24.309 1.00 70.25 C ATOM 71 CE1 HIS A 5 -9.842 11.811 -25.948 1.00 72.25 C ATOM 72 NE2 HIS A 5 -10.465 12.884 -25.507 1.00 32.12 N ATOM 0 H HIS A 5 -6.964 14.853 -24.121 1.00 74.42 H new ATOM 0 HA HIS A 5 -6.211 13.086 -21.974 1.00 3.31 H new ATOM 0 HB2 HIS A 5 -7.714 11.238 -22.711 1.00 32.14 H new ATOM 0 HB3 HIS A 5 -8.557 12.571 -21.947 1.00 32.14 H new ATOM 0 HD2 HIS A 5 -10.208 14.105 -23.704 1.00 70.25 H new ATOM 0 HE1 HIS A 5 -10.058 11.289 -26.868 1.00 72.25 H new ATOM 0 HE2 HIS A 5 -11.234 13.358 -25.980 1.00 32.12 H new ATOM 81 N HIS A 6 -4.570 12.301 -23.578 1.00 13.41 N ATOM 82 CA HIS A 6 -3.608 11.559 -24.382 1.00 25.24 C ATOM 83 C HIS A 6 -2.901 10.568 -23.475 1.00 50.12 C ATOM 84 O HIS A 6 -2.062 10.956 -22.661 1.00 63.11 O ATOM 85 CB HIS A 6 -2.576 12.479 -25.047 1.00 22.54 C ATOM 86 CG HIS A 6 -3.125 13.333 -26.150 1.00 65.12 C ATOM 87 ND1 HIS A 6 -3.068 12.976 -27.481 1.00 12.01 N ATOM 88 CD2 HIS A 6 -3.732 14.542 -26.114 1.00 4.32 C ATOM 89 CE1 HIS A 6 -3.615 13.929 -28.212 1.00 33.42 C ATOM 90 NE2 HIS A 6 -4.024 14.889 -27.407 1.00 44.13 N ATOM 0 H HIS A 6 -4.214 12.581 -22.664 1.00 13.41 H new ATOM 0 HA HIS A 6 -4.143 11.049 -25.183 1.00 25.24 H new ATOM 0 HB2 HIS A 6 -2.141 13.126 -24.286 1.00 22.54 H new ATOM 0 HB3 HIS A 6 -1.767 11.868 -25.446 1.00 22.54 H new ATOM 0 HD2 HIS A 6 -3.946 15.125 -25.230 1.00 4.32 H new ATOM 0 HE1 HIS A 6 -3.711 13.923 -29.288 1.00 33.42 H new ATOM 0 HE2 HIS A 6 -4.484 15.751 -27.699 1.00 44.13 H new ATOM 99 N HIS A 7 -3.251 9.301 -23.590 1.00 73.02 N ATOM 100 CA HIS A 7 -2.751 8.301 -22.655 1.00 54.21 C ATOM 101 C HIS A 7 -1.858 7.292 -23.360 1.00 2.55 C ATOM 102 O HIS A 7 -2.094 6.940 -24.514 1.00 52.11 O ATOM 103 CB HIS A 7 -3.911 7.580 -21.942 1.00 25.04 C ATOM 104 CG HIS A 7 -4.635 6.562 -22.781 1.00 23.44 C ATOM 105 ND1 HIS A 7 -4.569 5.206 -22.537 1.00 21.43 N ATOM 106 CD2 HIS A 7 -5.449 6.705 -23.855 1.00 31.21 C ATOM 107 CE1 HIS A 7 -5.303 4.564 -23.424 1.00 44.04 C ATOM 108 NE2 HIS A 7 -5.849 5.448 -24.234 1.00 5.40 N ATOM 0 H HIS A 7 -3.873 8.938 -24.313 1.00 73.02 H new ATOM 0 HA HIS A 7 -2.156 8.822 -21.904 1.00 54.21 H new ATOM 0 HB2 HIS A 7 -3.520 7.085 -21.053 1.00 25.04 H new ATOM 0 HB3 HIS A 7 -4.629 8.326 -21.602 1.00 25.04 H new ATOM 0 HD2 HIS A 7 -5.731 7.635 -24.325 1.00 31.21 H new ATOM 0 HE1 HIS A 7 -5.435 3.493 -23.478 1.00 44.04 H new ATOM 0 HE2 HIS A 7 -6.468 5.233 -25.016 1.00 5.40 H new ATOM 117 N HIS A 8 -0.829 6.842 -22.663 1.00 62.02 N ATOM 118 CA HIS A 8 0.039 5.800 -23.182 1.00 44.41 C ATOM 119 C HIS A 8 -0.583 4.439 -22.915 1.00 61.40 C ATOM 120 O HIS A 8 -1.394 4.292 -22.000 1.00 22.43 O ATOM 121 CB HIS A 8 1.425 5.874 -22.539 1.00 45.43 C ATOM 122 CG HIS A 8 2.224 7.070 -22.954 1.00 75.25 C ATOM 123 ND1 HIS A 8 2.855 7.902 -22.059 1.00 21.45 N ATOM 124 CD2 HIS A 8 2.517 7.552 -24.182 1.00 51.40 C ATOM 125 CE1 HIS A 8 3.501 8.844 -22.721 1.00 55.24 C ATOM 126 NE2 HIS A 8 3.317 8.657 -24.014 1.00 24.33 N ATOM 0 H HIS A 8 -0.574 7.182 -21.736 1.00 62.02 H new ATOM 0 HA HIS A 8 0.153 5.946 -24.256 1.00 44.41 H new ATOM 0 HB2 HIS A 8 1.312 5.884 -21.455 1.00 45.43 H new ATOM 0 HB3 HIS A 8 1.981 4.972 -22.793 1.00 45.43 H new ATOM 0 HD2 HIS A 8 2.183 7.143 -25.124 1.00 51.40 H new ATOM 0 HE1 HIS A 8 4.084 9.637 -22.277 1.00 55.24 H new ATOM 0 HE2 HIS A 8 3.703 9.234 -24.761 1.00 24.33 H new ATOM 135 N SER A 9 -0.220 3.451 -23.718 1.00 13.12 N ATOM 136 CA SER A 9 -0.725 2.103 -23.535 1.00 73.11 C ATOM 137 C SER A 9 -0.126 1.486 -22.275 1.00 71.31 C ATOM 138 O SER A 9 -0.741 0.643 -21.619 1.00 74.45 O ATOM 139 CB SER A 9 -0.400 1.260 -24.766 1.00 43.35 C ATOM 140 OG SER A 9 0.959 1.410 -25.140 1.00 13.35 O ATOM 0 H SER A 9 0.423 3.559 -24.503 1.00 13.12 H new ATOM 0 HA SER A 9 -1.808 2.134 -23.414 1.00 73.11 H new ATOM 0 HB2 SER A 9 -0.610 0.211 -24.558 1.00 43.35 H new ATOM 0 HB3 SER A 9 -1.044 1.556 -25.594 1.00 43.35 H new ATOM 0 HG SER A 9 1.144 0.859 -25.929 1.00 13.35 H new ATOM 146 N HIS A 10 1.082 1.918 -21.944 1.00 25.11 N ATOM 147 CA HIS A 10 1.730 1.509 -20.710 1.00 52.34 C ATOM 148 C HIS A 10 2.085 2.734 -19.884 1.00 44.34 C ATOM 149 O HIS A 10 2.993 3.490 -20.233 1.00 43.31 O ATOM 150 CB HIS A 10 2.990 0.689 -20.996 1.00 62.45 C ATOM 151 CG HIS A 10 2.729 -0.561 -21.773 1.00 75.14 C ATOM 152 ND1 HIS A 10 3.370 -0.860 -22.954 1.00 1.44 N ATOM 153 CD2 HIS A 10 1.893 -1.596 -21.529 1.00 14.45 C ATOM 154 CE1 HIS A 10 2.937 -2.021 -23.403 1.00 51.02 C ATOM 155 NE2 HIS A 10 2.039 -2.492 -22.557 1.00 45.24 N ATOM 0 H HIS A 10 1.635 2.555 -22.518 1.00 25.11 H new ATOM 0 HA HIS A 10 1.036 0.882 -20.150 1.00 52.34 H new ATOM 0 HB2 HIS A 10 3.698 1.308 -21.547 1.00 62.45 H new ATOM 0 HB3 HIS A 10 3.464 0.426 -20.050 1.00 62.45 H new ATOM 0 HD2 HIS A 10 1.232 -1.698 -20.681 1.00 14.45 H new ATOM 0 HE1 HIS A 10 3.262 -2.506 -24.311 1.00 51.02 H new ATOM 0 HE2 HIS A 10 1.538 -3.375 -22.652 1.00 45.24 H new ATOM 164 N MET A 11 1.356 2.940 -18.799 1.00 41.34 N ATOM 165 CA MET A 11 1.597 4.081 -17.931 1.00 72.01 C ATOM 166 C MET A 11 2.756 3.784 -16.992 1.00 41.44 C ATOM 167 O MET A 11 3.755 4.507 -16.972 1.00 3.33 O ATOM 168 CB MET A 11 0.341 4.422 -17.128 1.00 62.43 C ATOM 169 CG MET A 11 0.519 5.612 -16.196 1.00 24.43 C ATOM 170 SD MET A 11 -0.986 6.022 -15.289 1.00 22.33 S ATOM 171 CE MET A 11 -2.091 6.452 -16.635 1.00 23.14 C ATOM 0 H MET A 11 0.593 2.333 -18.499 1.00 41.34 H new ATOM 0 HA MET A 11 1.853 4.941 -18.550 1.00 72.01 H new ATOM 0 HB2 MET A 11 -0.476 4.631 -17.818 1.00 62.43 H new ATOM 0 HB3 MET A 11 0.048 3.552 -16.541 1.00 62.43 H new ATOM 0 HG2 MET A 11 1.318 5.396 -15.486 1.00 24.43 H new ATOM 0 HG3 MET A 11 0.835 6.478 -16.777 1.00 24.43 H new ATOM 0 HE1 MET A 11 -2.916 7.053 -16.251 1.00 23.14 H new ATOM 0 HE2 MET A 11 -1.545 7.023 -17.386 1.00 23.14 H new ATOM 0 HE3 MET A 11 -2.485 5.542 -17.087 1.00 23.14 H new ATOM 181 N SER A 12 2.627 2.708 -16.232 1.00 0.30 N ATOM 182 CA SER A 12 3.666 2.303 -15.304 1.00 1.01 C ATOM 183 C SER A 12 4.237 0.944 -15.703 1.00 14.04 C ATOM 184 O SER A 12 3.629 -0.100 -15.453 1.00 11.14 O ATOM 185 CB SER A 12 3.107 2.266 -13.878 1.00 4.04 C ATOM 186 OG SER A 12 1.867 1.581 -13.839 1.00 14.53 O ATOM 0 H SER A 12 1.809 2.099 -16.241 1.00 0.30 H new ATOM 0 HA SER A 12 4.477 3.031 -15.338 1.00 1.01 H new ATOM 0 HB2 SER A 12 3.820 1.774 -13.216 1.00 4.04 H new ATOM 0 HB3 SER A 12 2.977 3.283 -13.507 1.00 4.04 H new ATOM 0 HG SER A 12 1.941 0.742 -14.340 1.00 14.53 H new ATOM 192 N THR A 13 5.387 0.965 -16.355 1.00 21.44 N ATOM 193 CA THR A 13 6.043 -0.253 -16.790 1.00 3.13 C ATOM 194 C THR A 13 7.188 -0.602 -15.841 1.00 73.42 C ATOM 195 O THR A 13 8.127 0.180 -15.677 1.00 23.13 O ATOM 196 CB THR A 13 6.596 -0.092 -18.216 1.00 22.50 C ATOM 197 OG1 THR A 13 5.648 0.617 -19.025 1.00 2.21 O ATOM 198 CG2 THR A 13 6.886 -1.444 -18.847 1.00 73.35 C ATOM 0 H THR A 13 5.888 1.820 -16.596 1.00 21.44 H new ATOM 0 HA THR A 13 5.306 -1.056 -16.783 1.00 3.13 H new ATOM 0 HB THR A 13 7.528 0.469 -18.157 1.00 22.50 H new ATOM 0 HG1 THR A 13 6.004 0.719 -19.932 1.00 2.21 H new ATOM 0 HG21 THR A 13 7.276 -1.299 -19.855 1.00 73.35 H new ATOM 0 HG22 THR A 13 7.623 -1.976 -18.246 1.00 73.35 H new ATOM 0 HG23 THR A 13 5.967 -2.028 -18.894 1.00 73.35 H new ATOM 206 N PRO A 14 7.110 -1.758 -15.174 1.00 2.34 N ATOM 207 CA PRO A 14 8.143 -2.208 -14.244 1.00 53.01 C ATOM 208 C PRO A 14 9.384 -2.726 -14.968 1.00 23.53 C ATOM 209 O PRO A 14 9.339 -3.768 -15.623 1.00 21.24 O ATOM 210 CB PRO A 14 7.465 -3.347 -13.461 1.00 14.50 C ATOM 211 CG PRO A 14 6.031 -3.344 -13.893 1.00 73.33 C ATOM 212 CD PRO A 14 6.008 -2.716 -15.256 1.00 2.24 C ATOM 0 HA PRO A 14 8.496 -1.395 -13.609 1.00 53.01 H new ATOM 0 HB2 PRO A 14 7.937 -4.305 -13.678 1.00 14.50 H new ATOM 0 HB3 PRO A 14 7.550 -3.187 -12.386 1.00 14.50 H new ATOM 0 HG2 PRO A 14 5.631 -4.358 -13.924 1.00 73.33 H new ATOM 0 HG3 PRO A 14 5.414 -2.780 -13.193 1.00 73.33 H new ATOM 0 HD2 PRO A 14 6.165 -3.451 -16.045 1.00 2.24 H new ATOM 0 HD3 PRO A 14 5.057 -2.225 -15.462 1.00 2.24 H new ATOM 220 N LEU A 15 10.486 -1.984 -14.859 1.00 51.43 N ATOM 221 CA LEU A 15 11.757 -2.404 -15.449 1.00 43.33 C ATOM 222 C LEU A 15 12.237 -3.691 -14.785 1.00 23.10 C ATOM 223 O LEU A 15 12.865 -4.545 -15.416 1.00 21.21 O ATOM 224 CB LEU A 15 12.827 -1.311 -15.306 1.00 63.24 C ATOM 225 CG LEU A 15 12.742 -0.144 -16.302 1.00 2.33 C ATOM 226 CD1 LEU A 15 12.763 -0.657 -17.733 1.00 15.23 C ATOM 227 CD2 LEU A 15 11.505 0.707 -16.056 1.00 43.33 C ATOM 0 H LEU A 15 10.524 -1.091 -14.368 1.00 51.43 H new ATOM 0 HA LEU A 15 11.595 -2.581 -16.512 1.00 43.33 H new ATOM 0 HB2 LEU A 15 12.769 -0.905 -14.296 1.00 63.24 H new ATOM 0 HB3 LEU A 15 13.808 -1.776 -15.406 1.00 63.24 H new ATOM 0 HG LEU A 15 13.617 0.488 -16.148 1.00 2.33 H new ATOM 0 HD11 LEU A 15 12.702 0.185 -18.422 1.00 15.23 H new ATOM 0 HD12 LEU A 15 13.689 -1.204 -17.910 1.00 15.23 H new ATOM 0 HD13 LEU A 15 11.913 -1.320 -17.894 1.00 15.23 H new ATOM 0 HD21 LEU A 15 11.476 1.523 -16.778 1.00 43.33 H new ATOM 0 HD22 LEU A 15 10.612 0.092 -16.167 1.00 43.33 H new ATOM 0 HD23 LEU A 15 11.540 1.116 -15.046 1.00 43.33 H new ATOM 239 N THR A 16 11.933 -3.820 -13.506 1.00 30.23 N ATOM 240 CA THR A 16 12.221 -5.033 -12.768 1.00 44.33 C ATOM 241 C THR A 16 11.047 -5.348 -11.845 1.00 53.14 C ATOM 242 O THR A 16 10.525 -4.462 -11.159 1.00 62.10 O ATOM 243 CB THR A 16 13.539 -4.917 -11.967 1.00 31.43 C ATOM 244 OG1 THR A 16 13.825 -6.148 -11.293 1.00 61.31 O ATOM 245 CG2 THR A 16 13.478 -3.788 -10.953 1.00 40.13 C ATOM 0 H THR A 16 11.482 -3.090 -12.954 1.00 30.23 H new ATOM 0 HA THR A 16 12.355 -5.850 -13.477 1.00 44.33 H new ATOM 0 HB THR A 16 14.334 -4.698 -12.679 1.00 31.43 H new ATOM 0 HG1 THR A 16 14.663 -6.060 -10.792 1.00 61.31 H new ATOM 0 HG21 THR A 16 14.421 -3.736 -10.409 1.00 40.13 H new ATOM 0 HG22 THR A 16 13.305 -2.844 -11.470 1.00 40.13 H new ATOM 0 HG23 THR A 16 12.664 -3.972 -10.252 1.00 40.13 H new ATOM 253 N GLY A 17 10.606 -6.594 -11.861 1.00 11.00 N ATOM 254 CA GLY A 17 9.442 -6.973 -11.094 1.00 41.12 C ATOM 255 C GLY A 17 9.772 -7.297 -9.655 1.00 52.44 C ATOM 256 O GLY A 17 10.595 -8.172 -9.382 1.00 3.14 O ATOM 0 H GLY A 17 11.035 -7.351 -12.393 1.00 11.00 H new ATOM 0 HA2 GLY A 17 8.714 -6.162 -11.122 1.00 41.12 H new ATOM 0 HA3 GLY A 17 8.972 -7.840 -11.559 1.00 41.12 H new ATOM 260 N LYS A 18 9.145 -6.583 -8.730 1.00 14.24 N ATOM 261 CA LYS A 18 9.303 -6.872 -7.312 1.00 71.43 C ATOM 262 C LYS A 18 8.618 -8.194 -6.981 1.00 55.24 C ATOM 263 O LYS A 18 7.547 -8.493 -7.516 1.00 51.22 O ATOM 264 CB LYS A 18 8.717 -5.750 -6.442 1.00 51.20 C ATOM 265 CG LYS A 18 9.575 -4.488 -6.358 1.00 41.12 C ATOM 266 CD LYS A 18 9.522 -3.662 -7.638 1.00 64.32 C ATOM 267 CE LYS A 18 10.267 -2.342 -7.482 1.00 72.04 C ATOM 268 NZ LYS A 18 11.726 -2.540 -7.267 1.00 62.01 N ATOM 0 H LYS A 18 8.523 -5.801 -8.936 1.00 14.24 H new ATOM 0 HA LYS A 18 10.369 -6.943 -7.096 1.00 71.43 H new ATOM 0 HB2 LYS A 18 7.737 -5.480 -6.834 1.00 51.20 H new ATOM 0 HB3 LYS A 18 8.562 -6.135 -5.434 1.00 51.20 H new ATOM 0 HG2 LYS A 18 9.237 -3.877 -5.521 1.00 41.12 H new ATOM 0 HG3 LYS A 18 10.608 -4.768 -6.152 1.00 41.12 H new ATOM 0 HD2 LYS A 18 9.958 -4.232 -8.458 1.00 64.32 H new ATOM 0 HD3 LYS A 18 8.483 -3.466 -7.903 1.00 64.32 H new ATOM 0 HE2 LYS A 18 10.112 -1.733 -8.372 1.00 72.04 H new ATOM 0 HE3 LYS A 18 9.850 -1.789 -6.641 1.00 72.04 H new ATOM 0 HZ1 LYS A 18 12.201 -1.615 -7.234 1.00 62.01 H new ATOM 0 HZ2 LYS A 18 11.880 -3.040 -6.368 1.00 62.01 H new ATOM 0 HZ3 LYS A 18 12.119 -3.103 -8.048 1.00 62.01 H new ATOM 282 N PRO A 19 9.236 -9.010 -6.110 1.00 33.10 N ATOM 283 CA PRO A 19 8.684 -10.312 -5.706 1.00 10.01 C ATOM 284 C PRO A 19 7.340 -10.181 -4.992 1.00 0.53 C ATOM 285 O PRO A 19 6.860 -9.070 -4.748 1.00 45.25 O ATOM 286 CB PRO A 19 9.746 -10.876 -4.752 1.00 71.10 C ATOM 287 CG PRO A 19 10.986 -10.106 -5.053 1.00 10.33 C ATOM 288 CD PRO A 19 10.529 -8.740 -5.463 1.00 4.45 C ATOM 0 HA PRO A 19 8.486 -10.950 -6.567 1.00 10.01 H new ATOM 0 HB2 PRO A 19 9.447 -10.751 -3.711 1.00 71.10 H new ATOM 0 HB3 PRO A 19 9.895 -11.943 -4.915 1.00 71.10 H new ATOM 0 HG2 PRO A 19 11.636 -10.055 -4.180 1.00 10.33 H new ATOM 0 HG3 PRO A 19 11.558 -10.582 -5.849 1.00 10.33 H new ATOM 0 HD2 PRO A 19 10.421 -8.075 -4.606 1.00 4.45 H new ATOM 0 HD3 PRO A 19 11.233 -8.266 -6.147 1.00 4.45 H new ATOM 296 N GLY A 20 6.736 -11.319 -4.660 1.00 34.24 N ATOM 297 CA GLY A 20 5.447 -11.325 -3.987 1.00 61.14 C ATOM 298 C GLY A 20 5.535 -10.895 -2.533 1.00 15.41 C ATOM 299 O GLY A 20 5.086 -11.605 -1.633 1.00 0.15 O ATOM 0 H GLY A 20 7.120 -12.245 -4.847 1.00 34.24 H new ATOM 0 HA2 GLY A 20 4.764 -10.660 -4.516 1.00 61.14 H new ATOM 0 HA3 GLY A 20 5.021 -12.327 -4.039 1.00 61.14 H new ATOM 303 N ALA A 21 6.111 -9.728 -2.311 1.00 3.51 N ATOM 304 CA ALA A 21 6.265 -9.173 -0.983 1.00 55.12 C ATOM 305 C ALA A 21 6.220 -7.655 -1.064 1.00 54.44 C ATOM 306 O ALA A 21 6.089 -7.091 -2.152 1.00 52.21 O ATOM 307 CB ALA A 21 7.570 -9.643 -0.352 1.00 70.24 C ATOM 0 H ALA A 21 6.487 -9.137 -3.052 1.00 3.51 H new ATOM 0 HA ALA A 21 5.447 -9.521 -0.351 1.00 55.12 H new ATOM 0 HB1 ALA A 21 7.667 -9.215 0.646 1.00 70.24 H new ATOM 0 HB2 ALA A 21 7.569 -10.731 -0.281 1.00 70.24 H new ATOM 0 HB3 ALA A 21 8.409 -9.320 -0.968 1.00 70.24 H new ATOM 313 N LEU A 22 6.329 -7.000 0.075 1.00 63.43 N ATOM 314 CA LEU A 22 6.271 -5.550 0.126 1.00 75.25 C ATOM 315 C LEU A 22 7.552 -4.992 0.719 1.00 24.44 C ATOM 316 O LEU A 22 8.225 -5.672 1.498 1.00 33.03 O ATOM 317 CB LEU A 22 5.083 -5.102 0.975 1.00 74.15 C ATOM 318 CG LEU A 22 3.716 -5.575 0.490 1.00 12.20 C ATOM 319 CD1 LEU A 22 2.651 -5.203 1.500 1.00 12.13 C ATOM 320 CD2 LEU A 22 3.390 -4.978 -0.872 1.00 54.12 C ATOM 0 H LEU A 22 6.459 -7.450 0.981 1.00 63.43 H new ATOM 0 HA LEU A 22 6.153 -5.174 -0.890 1.00 75.25 H new ATOM 0 HB2 LEU A 22 5.231 -5.459 1.994 1.00 74.15 H new ATOM 0 HB3 LEU A 22 5.078 -4.013 1.016 1.00 74.15 H new ATOM 0 HG LEU A 22 3.741 -6.660 0.387 1.00 12.20 H new ATOM 0 HD11 LEU A 22 1.678 -5.544 1.146 1.00 12.13 H new ATOM 0 HD12 LEU A 22 2.875 -5.676 2.456 1.00 12.13 H new ATOM 0 HD13 LEU A 22 2.632 -4.121 1.626 1.00 12.13 H new ATOM 0 HD21 LEU A 22 2.411 -5.329 -1.198 1.00 54.12 H new ATOM 0 HD22 LEU A 22 3.380 -3.890 -0.800 1.00 54.12 H new ATOM 0 HD23 LEU A 22 4.145 -5.287 -1.595 1.00 54.12 H new ATOM 332 N PRO A 23 7.923 -3.761 0.342 1.00 42.52 N ATOM 333 CA PRO A 23 9.032 -3.057 0.974 1.00 74.43 C ATOM 334 C PRO A 23 8.740 -2.799 2.449 1.00 52.31 C ATOM 335 O PRO A 23 7.661 -2.324 2.800 1.00 75.04 O ATOM 336 CB PRO A 23 9.129 -1.737 0.200 1.00 71.25 C ATOM 337 CG PRO A 23 7.813 -1.581 -0.484 1.00 63.33 C ATOM 338 CD PRO A 23 7.304 -2.972 -0.736 1.00 13.24 C ATOM 0 HA PRO A 23 9.960 -3.628 0.944 1.00 74.43 H new ATOM 0 HB2 PRO A 23 9.324 -0.901 0.872 1.00 71.25 H new ATOM 0 HB3 PRO A 23 9.946 -1.764 -0.521 1.00 71.25 H new ATOM 0 HG2 PRO A 23 7.116 -1.018 0.137 1.00 63.33 H new ATOM 0 HG3 PRO A 23 7.923 -1.031 -1.419 1.00 63.33 H new ATOM 0 HD2 PRO A 23 6.216 -3.016 -0.692 1.00 13.24 H new ATOM 0 HD3 PRO A 23 7.598 -3.336 -1.720 1.00 13.24 H new ATOM 346 N ALA A 24 9.700 -3.115 3.309 1.00 43.21 N ATOM 347 CA ALA A 24 9.515 -2.984 4.753 1.00 53.10 C ATOM 348 C ALA A 24 9.560 -1.522 5.207 1.00 71.13 C ATOM 349 O ALA A 24 9.575 -1.232 6.402 1.00 23.35 O ATOM 350 CB ALA A 24 10.570 -3.800 5.486 1.00 21.42 C ATOM 0 H ALA A 24 10.618 -3.465 3.033 1.00 43.21 H new ATOM 0 HA ALA A 24 8.524 -3.368 4.998 1.00 53.10 H new ATOM 0 HB1 ALA A 24 10.426 -3.698 6.562 1.00 21.42 H new ATOM 0 HB2 ALA A 24 10.478 -4.849 5.206 1.00 21.42 H new ATOM 0 HB3 ALA A 24 11.562 -3.438 5.216 1.00 21.42 H new ATOM 356 N ASN A 25 9.563 -0.607 4.250 1.00 72.10 N ATOM 357 CA ASN A 25 9.623 0.816 4.548 1.00 31.14 C ATOM 358 C ASN A 25 8.469 1.558 3.887 1.00 12.15 C ATOM 359 O ASN A 25 8.661 2.616 3.291 1.00 40.43 O ATOM 360 CB ASN A 25 10.959 1.410 4.094 1.00 14.43 C ATOM 361 CG ASN A 25 12.119 0.965 4.966 1.00 1.12 C ATOM 362 OD1 ASN A 25 12.771 -0.042 4.686 1.00 3.31 O ATOM 363 ND2 ASN A 25 12.379 1.708 6.031 1.00 34.24 N ATOM 0 H ASN A 25 9.524 -0.826 3.255 1.00 72.10 H new ATOM 0 HA ASN A 25 9.538 0.935 5.628 1.00 31.14 H new ATOM 0 HB2 ASN A 25 11.151 1.117 3.062 1.00 14.43 H new ATOM 0 HB3 ASN A 25 10.893 2.498 4.110 1.00 14.43 H new ATOM 0 HD21 ASN A 25 13.144 1.454 6.656 1.00 34.24 H new ATOM 0 HD22 ASN A 25 11.814 2.535 6.226 1.00 34.24 H new ATOM 370 N LEU A 26 7.266 1.007 4.021 1.00 24.31 N ATOM 371 CA LEU A 26 6.063 1.639 3.486 1.00 1.44 C ATOM 372 C LEU A 26 5.820 2.970 4.189 1.00 22.23 C ATOM 373 O LEU A 26 5.296 3.915 3.600 1.00 54.02 O ATOM 374 CB LEU A 26 4.845 0.724 3.673 1.00 43.44 C ATOM 375 CG LEU A 26 4.906 -0.612 2.927 1.00 14.43 C ATOM 376 CD1 LEU A 26 3.719 -1.484 3.302 1.00 31.21 C ATOM 377 CD2 LEU A 26 4.939 -0.385 1.424 1.00 2.04 C ATOM 0 H LEU A 26 7.098 0.121 4.497 1.00 24.31 H new ATOM 0 HA LEU A 26 6.208 1.814 2.420 1.00 1.44 H new ATOM 0 HB2 LEU A 26 4.724 0.521 4.737 1.00 43.44 H new ATOM 0 HB3 LEU A 26 3.954 1.262 3.348 1.00 43.44 H new ATOM 0 HG LEU A 26 5.822 -1.126 3.219 1.00 14.43 H new ATOM 0 HD11 LEU A 26 3.778 -2.430 2.763 1.00 31.21 H new ATOM 0 HD12 LEU A 26 3.733 -1.676 4.375 1.00 31.21 H new ATOM 0 HD13 LEU A 26 2.794 -0.972 3.037 1.00 31.21 H new ATOM 0 HD21 LEU A 26 4.982 -1.346 0.912 1.00 2.04 H new ATOM 0 HD22 LEU A 26 4.040 0.150 1.117 1.00 2.04 H new ATOM 0 HD23 LEU A 26 5.818 0.204 1.164 1.00 2.04 H new ATOM 389 N ASP A 27 6.222 3.033 5.453 1.00 22.32 N ATOM 390 CA ASP A 27 6.094 4.252 6.247 1.00 44.13 C ATOM 391 C ASP A 27 6.997 5.356 5.701 1.00 42.33 C ATOM 392 O ASP A 27 6.677 6.543 5.803 1.00 62.55 O ATOM 393 CB ASP A 27 6.444 3.980 7.714 1.00 22.24 C ATOM 394 CG ASP A 27 5.416 3.112 8.415 1.00 75.44 C ATOM 395 OD1 ASP A 27 4.441 3.665 8.967 1.00 4.21 O ATOM 396 OD2 ASP A 27 5.582 1.873 8.427 1.00 31.10 O ATOM 0 H ASP A 27 6.642 2.250 5.954 1.00 22.32 H new ATOM 0 HA ASP A 27 5.057 4.583 6.183 1.00 44.13 H new ATOM 0 HB2 ASP A 27 7.418 3.494 7.766 1.00 22.24 H new ATOM 0 HB3 ASP A 27 6.532 4.929 8.243 1.00 22.24 H new ATOM 401 N ASP A 28 8.118 4.950 5.112 1.00 71.31 N ATOM 402 CA ASP A 28 9.096 5.884 4.555 1.00 53.30 C ATOM 403 C ASP A 28 8.651 6.394 3.190 1.00 3.33 C ATOM 404 O ASP A 28 9.156 7.404 2.695 1.00 62.44 O ATOM 405 CB ASP A 28 10.462 5.205 4.411 1.00 72.33 C ATOM 406 CG ASP A 28 11.109 4.873 5.739 1.00 41.01 C ATOM 407 OD1 ASP A 28 10.710 3.873 6.370 1.00 61.10 O ATOM 408 OD2 ASP A 28 12.042 5.596 6.146 1.00 31.44 O ATOM 0 H ASP A 28 8.375 3.969 5.007 1.00 71.31 H new ATOM 0 HA ASP A 28 9.174 6.727 5.242 1.00 53.30 H new ATOM 0 HB2 ASP A 28 10.345 4.289 3.833 1.00 72.33 H new ATOM 0 HB3 ASP A 28 11.126 5.857 3.844 1.00 72.33 H new ATOM 413 N MET A 29 7.714 5.687 2.583 1.00 11.11 N ATOM 414 CA MET A 29 7.247 6.016 1.243 1.00 71.33 C ATOM 415 C MET A 29 6.177 7.102 1.294 1.00 11.04 C ATOM 416 O MET A 29 5.565 7.334 2.338 1.00 61.14 O ATOM 417 CB MET A 29 6.701 4.758 0.561 1.00 51.50 C ATOM 418 CG MET A 29 7.744 3.662 0.393 1.00 75.24 C ATOM 419 SD MET A 29 7.046 2.100 -0.171 1.00 22.01 S ATOM 420 CE MET A 29 6.385 2.573 -1.768 1.00 1.42 C ATOM 0 H MET A 29 7.257 4.875 2.999 1.00 11.11 H new ATOM 0 HA MET A 29 8.088 6.398 0.664 1.00 71.33 H new ATOM 0 HB2 MET A 29 5.867 4.369 1.145 1.00 51.50 H new ATOM 0 HB3 MET A 29 6.306 5.027 -0.419 1.00 51.50 H new ATOM 0 HG2 MET A 29 8.499 3.994 -0.320 1.00 75.24 H new ATOM 0 HG3 MET A 29 8.252 3.503 1.344 1.00 75.24 H new ATOM 0 HE1 MET A 29 6.163 1.678 -2.349 1.00 1.42 H new ATOM 0 HE2 MET A 29 5.471 3.150 -1.627 1.00 1.42 H new ATOM 0 HE3 MET A 29 7.118 3.179 -2.300 1.00 1.42 H new ATOM 430 N LYS A 30 5.962 7.775 0.170 1.00 30.00 N ATOM 431 CA LYS A 30 4.944 8.814 0.091 1.00 72.53 C ATOM 432 C LYS A 30 3.563 8.191 -0.046 1.00 23.35 C ATOM 433 O LYS A 30 3.428 6.979 -0.215 1.00 44.51 O ATOM 434 CB LYS A 30 5.165 9.728 -1.114 1.00 52.50 C ATOM 435 CG LYS A 30 6.581 10.233 -1.297 1.00 33.42 C ATOM 436 CD LYS A 30 6.642 11.179 -2.482 1.00 21.21 C ATOM 437 CE LYS A 30 8.065 11.421 -2.944 1.00 63.30 C ATOM 438 NZ LYS A 30 8.697 10.183 -3.474 1.00 32.13 N ATOM 0 H LYS A 30 6.477 7.620 -0.696 1.00 30.00 H new ATOM 0 HA LYS A 30 5.016 9.398 1.008 1.00 72.53 H new ATOM 0 HB2 LYS A 30 4.870 9.190 -2.015 1.00 52.50 H new ATOM 0 HB3 LYS A 30 4.500 10.587 -1.024 1.00 52.50 H new ATOM 0 HG2 LYS A 30 6.913 10.745 -0.394 1.00 33.42 H new ATOM 0 HG3 LYS A 30 7.258 9.394 -1.455 1.00 33.42 H new ATOM 0 HD2 LYS A 30 6.059 10.766 -3.305 1.00 21.21 H new ATOM 0 HD3 LYS A 30 6.182 12.129 -2.211 1.00 21.21 H new ATOM 0 HE2 LYS A 30 8.069 12.190 -3.717 1.00 63.30 H new ATOM 0 HE3 LYS A 30 8.657 11.802 -2.112 1.00 63.30 H new ATOM 0 HZ1 LYS A 30 9.464 10.438 -4.128 1.00 32.13 H new ATOM 0 HZ2 LYS A 30 9.085 9.626 -2.686 1.00 32.13 H new ATOM 0 HZ3 LYS A 30 7.984 9.618 -3.979 1.00 32.13 H new ATOM 452 N VAL A 31 2.543 9.033 -0.015 1.00 63.22 N ATOM 453 CA VAL A 31 1.179 8.583 -0.243 1.00 72.34 C ATOM 454 C VAL A 31 1.030 8.092 -1.685 1.00 31.44 C ATOM 455 O VAL A 31 0.470 7.025 -1.938 1.00 50.32 O ATOM 456 CB VAL A 31 0.161 9.711 0.033 1.00 74.13 C ATOM 457 CG1 VAL A 31 -1.261 9.224 -0.176 1.00 75.41 C ATOM 458 CG2 VAL A 31 0.334 10.255 1.444 1.00 41.23 C ATOM 0 H VAL A 31 2.634 10.033 0.166 1.00 63.22 H new ATOM 0 HA VAL A 31 0.973 7.765 0.447 1.00 72.34 H new ATOM 0 HB VAL A 31 0.352 10.517 -0.676 1.00 74.13 H new ATOM 0 HG11 VAL A 31 -1.958 10.038 0.025 1.00 75.41 H new ATOM 0 HG12 VAL A 31 -1.383 8.888 -1.206 1.00 75.41 H new ATOM 0 HG13 VAL A 31 -1.465 8.396 0.502 1.00 75.41 H new ATOM 0 HG21 VAL A 31 -0.392 11.049 1.619 1.00 41.23 H new ATOM 0 HG22 VAL A 31 0.176 9.453 2.165 1.00 41.23 H new ATOM 0 HG23 VAL A 31 1.342 10.653 1.559 1.00 41.23 H new ATOM 468 N ALA A 32 1.566 8.869 -2.622 1.00 1.22 N ATOM 469 CA ALA A 32 1.536 8.507 -4.035 1.00 45.34 C ATOM 470 C ALA A 32 2.314 7.221 -4.289 1.00 50.23 C ATOM 471 O ALA A 32 1.912 6.396 -5.111 1.00 11.11 O ATOM 472 CB ALA A 32 2.098 9.635 -4.884 1.00 3.41 C ATOM 0 H ALA A 32 2.028 9.757 -2.427 1.00 1.22 H new ATOM 0 HA ALA A 32 0.496 8.338 -4.316 1.00 45.34 H new ATOM 0 HB1 ALA A 32 2.068 9.349 -5.935 1.00 3.41 H new ATOM 0 HB2 ALA A 32 1.500 10.534 -4.736 1.00 3.41 H new ATOM 0 HB3 ALA A 32 3.129 9.832 -4.591 1.00 3.41 H new ATOM 478 N GLU A 33 3.421 7.049 -3.568 1.00 62.44 N ATOM 479 CA GLU A 33 4.250 5.857 -3.705 1.00 31.42 C ATOM 480 C GLU A 33 3.450 4.606 -3.365 1.00 33.24 C ATOM 481 O GLU A 33 3.543 3.589 -4.053 1.00 43.31 O ATOM 482 CB GLU A 33 5.474 5.947 -2.793 1.00 50.15 C ATOM 483 CG GLU A 33 6.399 7.113 -3.102 1.00 61.23 C ATOM 484 CD GLU A 33 7.053 7.009 -4.462 1.00 22.52 C ATOM 485 OE1 GLU A 33 7.179 5.882 -4.982 1.00 34.53 O ATOM 486 OE2 GLU A 33 7.466 8.056 -5.005 1.00 2.32 O ATOM 0 H GLU A 33 3.763 7.722 -2.883 1.00 62.44 H new ATOM 0 HA GLU A 33 4.582 5.795 -4.741 1.00 31.42 H new ATOM 0 HB2 GLU A 33 5.137 6.029 -1.760 1.00 50.15 H new ATOM 0 HB3 GLU A 33 6.040 5.019 -2.871 1.00 50.15 H new ATOM 0 HG2 GLU A 33 5.832 8.042 -3.048 1.00 61.23 H new ATOM 0 HG3 GLU A 33 7.173 7.167 -2.337 1.00 61.23 H new ATOM 493 N LEU A 34 2.656 4.697 -2.305 1.00 33.44 N ATOM 494 CA LEU A 34 1.820 3.587 -1.877 1.00 65.11 C ATOM 495 C LEU A 34 0.735 3.316 -2.910 1.00 43.44 C ATOM 496 O LEU A 34 0.411 2.165 -3.194 1.00 31.03 O ATOM 497 CB LEU A 34 1.188 3.892 -0.519 1.00 11.21 C ATOM 498 CG LEU A 34 2.180 4.119 0.621 1.00 53.33 C ATOM 499 CD1 LEU A 34 1.443 4.487 1.896 1.00 3.20 C ATOM 500 CD2 LEU A 34 3.035 2.882 0.837 1.00 34.11 C ATOM 0 H LEU A 34 2.575 5.532 -1.725 1.00 33.44 H new ATOM 0 HA LEU A 34 2.444 2.698 -1.781 1.00 65.11 H new ATOM 0 HB2 LEU A 34 0.563 4.779 -0.618 1.00 11.21 H new ATOM 0 HB3 LEU A 34 0.530 3.066 -0.248 1.00 11.21 H new ATOM 0 HG LEU A 34 2.836 4.946 0.350 1.00 53.33 H new ATOM 0 HD11 LEU A 34 2.162 4.646 2.699 1.00 3.20 H new ATOM 0 HD12 LEU A 34 0.871 5.401 1.735 1.00 3.20 H new ATOM 0 HD13 LEU A 34 0.765 3.679 2.171 1.00 3.20 H new ATOM 0 HD21 LEU A 34 3.736 3.062 1.652 1.00 34.11 H new ATOM 0 HD22 LEU A 34 2.395 2.036 1.088 1.00 34.11 H new ATOM 0 HD23 LEU A 34 3.589 2.659 -0.075 1.00 34.11 H new ATOM 512 N LYS A 35 0.189 4.384 -3.480 1.00 70.51 N ATOM 513 CA LYS A 35 -0.823 4.261 -4.523 1.00 14.41 C ATOM 514 C LYS A 35 -0.251 3.560 -5.748 1.00 61.10 C ATOM 515 O LYS A 35 -0.945 2.797 -6.419 1.00 61.30 O ATOM 516 CB LYS A 35 -1.364 5.636 -4.908 1.00 35.11 C ATOM 517 CG LYS A 35 -2.144 6.305 -3.793 1.00 53.44 C ATOM 518 CD LYS A 35 -2.590 7.705 -4.175 1.00 13.35 C ATOM 519 CE LYS A 35 -3.416 8.335 -3.068 1.00 62.41 C ATOM 520 NZ LYS A 35 -3.809 9.729 -3.394 1.00 71.31 N ATOM 0 H LYS A 35 0.430 5.345 -3.238 1.00 70.51 H new ATOM 0 HA LYS A 35 -1.643 3.659 -4.131 1.00 14.41 H new ATOM 0 HB2 LYS A 35 -0.532 6.279 -5.197 1.00 35.11 H new ATOM 0 HB3 LYS A 35 -2.007 5.534 -5.782 1.00 35.11 H new ATOM 0 HG2 LYS A 35 -3.017 5.700 -3.547 1.00 53.44 H new ATOM 0 HG3 LYS A 35 -1.527 6.353 -2.896 1.00 53.44 H new ATOM 0 HD2 LYS A 35 -1.717 8.325 -4.380 1.00 13.35 H new ATOM 0 HD3 LYS A 35 -3.176 7.666 -5.093 1.00 13.35 H new ATOM 0 HE2 LYS A 35 -4.311 7.736 -2.897 1.00 62.41 H new ATOM 0 HE3 LYS A 35 -2.845 8.327 -2.140 1.00 62.41 H new ATOM 0 HZ1 LYS A 35 -4.371 10.123 -2.613 1.00 71.31 H new ATOM 0 HZ2 LYS A 35 -2.956 10.307 -3.532 1.00 71.31 H new ATOM 0 HZ3 LYS A 35 -4.376 9.735 -4.266 1.00 71.31 H new ATOM 534 N GLN A 36 1.018 3.820 -6.036 1.00 1.30 N ATOM 535 CA GLN A 36 1.707 3.143 -7.125 1.00 70.24 C ATOM 536 C GLN A 36 1.798 1.646 -6.850 1.00 13.20 C ATOM 537 O GLN A 36 1.580 0.830 -7.742 1.00 42.24 O ATOM 538 CB GLN A 36 3.102 3.740 -7.332 1.00 52.03 C ATOM 539 CG GLN A 36 3.069 5.154 -7.898 1.00 14.33 C ATOM 540 CD GLN A 36 2.508 5.208 -9.309 1.00 45.12 C ATOM 541 OE1 GLN A 36 1.846 6.174 -9.691 1.00 33.21 O ATOM 542 NE2 GLN A 36 2.779 4.181 -10.100 1.00 24.30 N ATOM 0 H GLN A 36 1.591 4.495 -5.530 1.00 1.30 H new ATOM 0 HA GLN A 36 1.133 3.289 -8.040 1.00 70.24 H new ATOM 0 HB2 GLN A 36 3.632 3.749 -6.380 1.00 52.03 H new ATOM 0 HB3 GLN A 36 3.669 3.098 -8.006 1.00 52.03 H new ATOM 0 HG2 GLN A 36 2.466 5.787 -7.247 1.00 14.33 H new ATOM 0 HG3 GLN A 36 4.079 5.565 -7.897 1.00 14.33 H new ATOM 0 HE21 GLN A 36 3.331 3.398 -9.749 1.00 24.30 H new ATOM 0 HE22 GLN A 36 2.436 4.173 -11.061 1.00 24.30 H new ATOM 551 N GLU A 37 2.088 1.299 -5.603 1.00 42.13 N ATOM 552 CA GLU A 37 2.142 -0.096 -5.187 1.00 11.11 C ATOM 553 C GLU A 37 0.760 -0.745 -5.270 1.00 4.45 C ATOM 554 O GLU A 37 0.633 -1.940 -5.543 1.00 4.25 O ATOM 555 CB GLU A 37 2.679 -0.199 -3.758 1.00 5.33 C ATOM 556 CG GLU A 37 4.146 0.174 -3.624 1.00 71.21 C ATOM 557 CD GLU A 37 5.050 -0.748 -4.418 1.00 32.51 C ATOM 558 OE1 GLU A 37 5.078 -1.961 -4.117 1.00 23.41 O ATOM 559 OE2 GLU A 37 5.739 -0.266 -5.341 1.00 12.41 O ATOM 0 H GLU A 37 2.290 1.967 -4.859 1.00 42.13 H new ATOM 0 HA GLU A 37 2.813 -0.626 -5.863 1.00 11.11 H new ATOM 0 HB2 GLU A 37 2.089 0.449 -3.111 1.00 5.33 H new ATOM 0 HB3 GLU A 37 2.539 -1.219 -3.400 1.00 5.33 H new ATOM 0 HG2 GLU A 37 4.290 1.200 -3.963 1.00 71.21 H new ATOM 0 HG3 GLU A 37 4.432 0.142 -2.573 1.00 71.21 H new ATOM 566 N LEU A 38 -0.272 0.053 -5.026 1.00 32.12 N ATOM 567 CA LEU A 38 -1.645 -0.428 -5.069 1.00 32.22 C ATOM 568 C LEU A 38 -2.109 -0.668 -6.503 1.00 34.44 C ATOM 569 O LEU A 38 -2.588 -1.752 -6.833 1.00 23.23 O ATOM 570 CB LEU A 38 -2.577 0.579 -4.391 1.00 64.24 C ATOM 571 CG LEU A 38 -2.355 0.770 -2.890 1.00 25.51 C ATOM 572 CD1 LEU A 38 -3.095 2.001 -2.402 1.00 50.12 C ATOM 573 CD2 LEU A 38 -2.813 -0.457 -2.115 1.00 72.45 C ATOM 0 H LEU A 38 -0.182 1.042 -4.795 1.00 32.12 H new ATOM 0 HA LEU A 38 -1.680 -1.378 -4.535 1.00 32.22 H new ATOM 0 HB2 LEU A 38 -2.462 1.544 -4.884 1.00 64.24 H new ATOM 0 HB3 LEU A 38 -3.607 0.260 -4.551 1.00 64.24 H new ATOM 0 HG LEU A 38 -1.287 0.907 -2.718 1.00 25.51 H new ATOM 0 HD11 LEU A 38 -2.929 2.125 -1.332 1.00 50.12 H new ATOM 0 HD12 LEU A 38 -2.727 2.880 -2.931 1.00 50.12 H new ATOM 0 HD13 LEU A 38 -4.162 1.883 -2.592 1.00 50.12 H new ATOM 0 HD21 LEU A 38 -2.645 -0.298 -1.050 1.00 72.45 H new ATOM 0 HD22 LEU A 38 -3.875 -0.625 -2.294 1.00 72.45 H new ATOM 0 HD23 LEU A 38 -2.247 -1.328 -2.445 1.00 72.45 H new ATOM 585 N LYS A 39 -1.944 0.340 -7.356 1.00 20.34 N ATOM 586 CA LYS A 39 -2.453 0.282 -8.726 1.00 31.04 C ATOM 587 C LYS A 39 -1.789 -0.832 -9.532 1.00 60.21 C ATOM 588 O LYS A 39 -2.365 -1.337 -10.495 1.00 3.43 O ATOM 589 CB LYS A 39 -2.258 1.632 -9.430 1.00 72.51 C ATOM 590 CG LYS A 39 -0.801 2.036 -9.616 1.00 41.11 C ATOM 591 CD LYS A 39 -0.670 3.426 -10.226 1.00 52.42 C ATOM 592 CE LYS A 39 -1.253 4.499 -9.317 1.00 53.02 C ATOM 593 NZ LYS A 39 -1.004 5.870 -9.836 1.00 1.23 N ATOM 0 H LYS A 39 -1.461 1.208 -7.123 1.00 20.34 H new ATOM 0 HA LYS A 39 -3.519 0.060 -8.668 1.00 31.04 H new ATOM 0 HB2 LYS A 39 -2.740 1.592 -10.407 1.00 72.51 H new ATOM 0 HB3 LYS A 39 -2.767 2.406 -8.855 1.00 72.51 H new ATOM 0 HG2 LYS A 39 -0.292 2.013 -8.652 1.00 41.11 H new ATOM 0 HG3 LYS A 39 -0.302 1.310 -10.257 1.00 41.11 H new ATOM 0 HD2 LYS A 39 0.381 3.642 -10.416 1.00 52.42 H new ATOM 0 HD3 LYS A 39 -1.179 3.450 -11.189 1.00 52.42 H new ATOM 0 HE2 LYS A 39 -2.326 4.341 -9.213 1.00 53.02 H new ATOM 0 HE3 LYS A 39 -0.819 4.405 -8.322 1.00 53.02 H new ATOM 0 HZ1 LYS A 39 -1.504 6.562 -9.242 1.00 1.23 H new ATOM 0 HZ2 LYS A 39 0.017 6.069 -9.815 1.00 1.23 H new ATOM 0 HZ3 LYS A 39 -1.350 5.939 -10.814 1.00 1.23 H new ATOM 607 N LEU A 40 -0.584 -1.219 -9.135 1.00 63.22 N ATOM 608 CA LEU A 40 0.136 -2.286 -9.820 1.00 20.43 C ATOM 609 C LEU A 40 -0.385 -3.657 -9.403 1.00 63.00 C ATOM 610 O LEU A 40 -0.112 -4.660 -10.060 1.00 13.11 O ATOM 611 CB LEU A 40 1.640 -2.194 -9.538 1.00 15.24 C ATOM 612 CG LEU A 40 2.343 -0.979 -10.145 1.00 32.32 C ATOM 613 CD1 LEU A 40 3.808 -0.953 -9.743 1.00 31.10 C ATOM 614 CD2 LEU A 40 2.210 -0.986 -11.659 1.00 74.14 C ATOM 0 H LEU A 40 -0.085 -0.812 -8.344 1.00 63.22 H new ATOM 0 HA LEU A 40 -0.032 -2.162 -10.890 1.00 20.43 H new ATOM 0 HB2 LEU A 40 1.791 -2.179 -8.459 1.00 15.24 H new ATOM 0 HB3 LEU A 40 2.120 -3.097 -9.915 1.00 15.24 H new ATOM 0 HG LEU A 40 1.863 -0.079 -9.760 1.00 32.32 H new ATOM 0 HD11 LEU A 40 4.291 -0.081 -10.185 1.00 31.10 H new ATOM 0 HD12 LEU A 40 3.886 -0.900 -8.657 1.00 31.10 H new ATOM 0 HD13 LEU A 40 4.299 -1.859 -10.099 1.00 31.10 H new ATOM 0 HD21 LEU A 40 2.716 -0.114 -12.073 1.00 74.14 H new ATOM 0 HD22 LEU A 40 2.663 -1.893 -12.060 1.00 74.14 H new ATOM 0 HD23 LEU A 40 1.155 -0.956 -11.932 1.00 74.14 H new ATOM 626 N ARG A 41 -1.145 -3.693 -8.316 1.00 70.43 N ATOM 627 CA ARG A 41 -1.656 -4.950 -7.781 1.00 54.24 C ATOM 628 C ARG A 41 -3.183 -4.948 -7.740 1.00 52.35 C ATOM 629 O ARG A 41 -3.792 -5.750 -7.035 1.00 24.23 O ATOM 630 CB ARG A 41 -1.080 -5.191 -6.382 1.00 15.13 C ATOM 631 CG ARG A 41 0.430 -5.358 -6.380 1.00 4.51 C ATOM 632 CD ARG A 41 0.994 -5.425 -4.970 1.00 51.42 C ATOM 633 NE ARG A 41 2.449 -5.588 -4.981 1.00 33.33 N ATOM 634 CZ ARG A 41 3.310 -4.619 -4.666 1.00 41.23 C ATOM 635 NH1 ARG A 41 2.873 -3.416 -4.331 1.00 5.33 N ATOM 636 NH2 ARG A 41 4.615 -4.840 -4.709 1.00 42.24 N ATOM 0 H ARG A 41 -1.422 -2.866 -7.787 1.00 70.43 H new ATOM 0 HA ARG A 41 -1.342 -5.760 -8.439 1.00 54.24 H new ATOM 0 HB2 ARG A 41 -1.348 -4.355 -5.736 1.00 15.13 H new ATOM 0 HB3 ARG A 41 -1.539 -6.083 -5.955 1.00 15.13 H new ATOM 0 HG2 ARG A 41 0.695 -6.267 -6.920 1.00 4.51 H new ATOM 0 HG3 ARG A 41 0.887 -4.525 -6.914 1.00 4.51 H new ATOM 0 HD2 ARG A 41 0.733 -4.515 -4.429 1.00 51.42 H new ATOM 0 HD3 ARG A 41 0.538 -6.257 -4.434 1.00 51.42 H new ATOM 0 HE ARG A 41 2.827 -6.498 -5.246 1.00 33.33 H new ATOM 0 HH11 ARG A 41 1.871 -3.224 -4.312 1.00 5.33 H new ATOM 0 HH12 ARG A 41 3.538 -2.680 -4.091 1.00 5.33 H new ATOM 0 HH21 ARG A 41 4.968 -5.756 -4.984 1.00 42.24 H new ATOM 0 HH22 ARG A 41 5.267 -4.094 -4.467 1.00 42.24 H new ATOM 650 N SER A 42 -3.784 -4.038 -8.512 1.00 34.33 N ATOM 651 CA SER A 42 -5.241 -3.950 -8.646 1.00 13.34 C ATOM 652 C SER A 42 -5.901 -3.543 -7.325 1.00 30.31 C ATOM 653 O SER A 42 -7.075 -3.832 -7.080 1.00 23.12 O ATOM 654 CB SER A 42 -5.812 -5.284 -9.147 1.00 73.12 C ATOM 655 OG SER A 42 -7.209 -5.194 -9.365 1.00 11.52 O ATOM 0 H SER A 42 -3.276 -3.344 -9.060 1.00 34.33 H new ATOM 0 HA SER A 42 -5.464 -3.175 -9.379 1.00 13.34 H new ATOM 0 HB2 SER A 42 -5.314 -5.570 -10.074 1.00 73.12 H new ATOM 0 HB3 SER A 42 -5.605 -6.068 -8.418 1.00 73.12 H new ATOM 0 HG SER A 42 -7.620 -4.674 -8.643 1.00 11.52 H new ATOM 661 N LEU A 43 -5.151 -2.844 -6.492 1.00 22.34 N ATOM 662 CA LEU A 43 -5.655 -2.388 -5.210 1.00 53.21 C ATOM 663 C LEU A 43 -6.144 -0.943 -5.309 1.00 62.51 C ATOM 664 O LEU A 43 -5.565 -0.136 -6.038 1.00 62.11 O ATOM 665 CB LEU A 43 -4.559 -2.510 -4.151 1.00 4.22 C ATOM 666 CG LEU A 43 -4.259 -3.936 -3.687 1.00 23.45 C ATOM 667 CD1 LEU A 43 -2.905 -4.003 -3.000 1.00 42.23 C ATOM 668 CD2 LEU A 43 -5.349 -4.411 -2.744 1.00 74.44 C ATOM 0 H LEU A 43 -4.185 -2.579 -6.683 1.00 22.34 H new ATOM 0 HA LEU A 43 -6.499 -3.013 -4.920 1.00 53.21 H new ATOM 0 HB2 LEU A 43 -3.642 -2.073 -4.548 1.00 4.22 H new ATOM 0 HB3 LEU A 43 -4.846 -1.915 -3.284 1.00 4.22 H new ATOM 0 HG LEU A 43 -4.232 -4.588 -4.560 1.00 23.45 H new ATOM 0 HD11 LEU A 43 -2.711 -5.026 -2.678 1.00 42.23 H new ATOM 0 HD12 LEU A 43 -2.128 -3.688 -3.696 1.00 42.23 H new ATOM 0 HD13 LEU A 43 -2.904 -3.343 -2.133 1.00 42.23 H new ATOM 0 HD21 LEU A 43 -5.130 -5.427 -2.417 1.00 74.44 H new ATOM 0 HD22 LEU A 43 -5.392 -3.752 -1.877 1.00 74.44 H new ATOM 0 HD23 LEU A 43 -6.309 -4.395 -3.260 1.00 74.44 H new ATOM 680 N PRO A 44 -7.228 -0.609 -4.592 1.00 53.34 N ATOM 681 CA PRO A 44 -7.801 0.742 -4.596 1.00 53.12 C ATOM 682 C PRO A 44 -6.812 1.792 -4.092 1.00 63.14 C ATOM 683 O PRO A 44 -6.316 1.709 -2.968 1.00 62.40 O ATOM 684 CB PRO A 44 -9.006 0.636 -3.654 1.00 21.21 C ATOM 685 CG PRO A 44 -8.760 -0.587 -2.841 1.00 71.11 C ATOM 686 CD PRO A 44 -7.985 -1.522 -3.722 1.00 54.10 C ATOM 0 HA PRO A 44 -8.069 1.064 -5.603 1.00 53.12 H new ATOM 0 HB2 PRO A 44 -9.090 1.519 -3.021 1.00 21.21 H new ATOM 0 HB3 PRO A 44 -9.938 0.556 -4.214 1.00 21.21 H new ATOM 0 HG2 PRO A 44 -8.199 -0.348 -1.937 1.00 71.11 H new ATOM 0 HG3 PRO A 44 -9.699 -1.039 -2.523 1.00 71.11 H new ATOM 0 HD2 PRO A 44 -7.325 -2.167 -3.143 1.00 54.10 H new ATOM 0 HD3 PRO A 44 -8.643 -2.173 -4.297 1.00 54.10 H new ATOM 694 N VAL A 45 -6.552 2.789 -4.929 1.00 70.45 N ATOM 695 CA VAL A 45 -5.561 3.820 -4.628 1.00 61.35 C ATOM 696 C VAL A 45 -6.157 4.956 -3.798 1.00 52.30 C ATOM 697 O VAL A 45 -5.615 6.060 -3.761 1.00 62.14 O ATOM 698 CB VAL A 45 -4.957 4.403 -5.926 1.00 45.41 C ATOM 699 CG1 VAL A 45 -4.210 3.327 -6.697 1.00 10.25 C ATOM 700 CG2 VAL A 45 -6.040 5.024 -6.797 1.00 3.14 C ATOM 0 H VAL A 45 -7.017 2.907 -5.829 1.00 70.45 H new ATOM 0 HA VAL A 45 -4.776 3.339 -4.045 1.00 61.35 H new ATOM 0 HB VAL A 45 -4.251 5.186 -5.649 1.00 45.41 H new ATOM 0 HG11 VAL A 45 -3.792 3.756 -7.608 1.00 10.25 H new ATOM 0 HG12 VAL A 45 -3.404 2.930 -6.080 1.00 10.25 H new ATOM 0 HG13 VAL A 45 -4.898 2.522 -6.958 1.00 10.25 H new ATOM 0 HG21 VAL A 45 -5.590 5.427 -7.704 1.00 3.14 H new ATOM 0 HG22 VAL A 45 -6.774 4.263 -7.063 1.00 3.14 H new ATOM 0 HG23 VAL A 45 -6.532 5.827 -6.248 1.00 3.14 H new ATOM 710 N SER A 46 -7.256 4.681 -3.116 1.00 72.32 N ATOM 711 CA SER A 46 -7.908 5.688 -2.301 1.00 13.41 C ATOM 712 C SER A 46 -7.794 5.325 -0.826 1.00 70.14 C ATOM 713 O SER A 46 -8.036 4.181 -0.435 1.00 3.22 O ATOM 714 CB SER A 46 -9.377 5.837 -2.705 1.00 71.44 C ATOM 715 OG SER A 46 -9.975 6.961 -2.076 1.00 24.44 O ATOM 0 H SER A 46 -7.714 3.770 -3.111 1.00 72.32 H new ATOM 0 HA SER A 46 -7.410 6.644 -2.464 1.00 13.41 H new ATOM 0 HB2 SER A 46 -9.450 5.942 -3.787 1.00 71.44 H new ATOM 0 HB3 SER A 46 -9.924 4.933 -2.435 1.00 71.44 H new ATOM 0 HG SER A 46 -10.912 7.032 -2.354 1.00 24.44 H new ATOM 721 N GLY A 47 -7.414 6.301 -0.020 1.00 34.31 N ATOM 722 CA GLY A 47 -7.253 6.079 1.399 1.00 22.23 C ATOM 723 C GLY A 47 -6.176 6.965 1.983 1.00 24.42 C ATOM 724 O GLY A 47 -5.541 7.735 1.258 1.00 31.03 O ATOM 0 H GLY A 47 -7.212 7.253 -0.327 1.00 34.31 H new ATOM 0 HA2 GLY A 47 -8.198 6.271 1.907 1.00 22.23 H new ATOM 0 HA3 GLY A 47 -7.001 5.034 1.578 1.00 22.23 H new ATOM 728 N THR A 48 -5.975 6.866 3.285 1.00 43.52 N ATOM 729 CA THR A 48 -4.952 7.640 3.961 1.00 64.53 C ATOM 730 C THR A 48 -3.614 6.909 3.928 1.00 53.13 C ATOM 731 O THR A 48 -3.546 5.751 3.514 1.00 73.10 O ATOM 732 CB THR A 48 -5.347 7.902 5.424 1.00 61.11 C ATOM 733 OG1 THR A 48 -5.691 6.663 6.058 1.00 31.42 O ATOM 734 CG2 THR A 48 -6.524 8.862 5.506 1.00 4.10 C ATOM 0 H THR A 48 -6.512 6.252 3.898 1.00 43.52 H new ATOM 0 HA THR A 48 -4.856 8.591 3.438 1.00 64.53 H new ATOM 0 HB THR A 48 -4.497 8.355 5.935 1.00 61.11 H new ATOM 0 HG1 THR A 48 -5.043 6.467 6.767 1.00 31.42 H new ATOM 0 HG21 THR A 48 -6.784 9.031 6.551 1.00 4.10 H new ATOM 0 HG22 THR A 48 -6.253 9.810 5.042 1.00 4.10 H new ATOM 0 HG23 THR A 48 -7.380 8.434 4.984 1.00 4.10 H new ATOM 742 N LYS A 49 -2.560 7.590 4.369 1.00 1.30 N ATOM 743 CA LYS A 49 -1.231 6.989 4.483 1.00 1.30 C ATOM 744 C LYS A 49 -1.304 5.657 5.227 1.00 2.35 C ATOM 745 O LYS A 49 -0.771 4.647 4.768 1.00 21.43 O ATOM 746 CB LYS A 49 -0.292 7.952 5.220 1.00 22.52 C ATOM 747 CG LYS A 49 1.116 7.416 5.442 1.00 22.41 C ATOM 748 CD LYS A 49 1.884 7.278 4.139 1.00 2.13 C ATOM 749 CE LYS A 49 3.280 6.720 4.373 1.00 45.23 C ATOM 750 NZ LYS A 49 4.104 7.603 5.244 1.00 12.34 N ATOM 0 H LYS A 49 -2.600 8.568 4.656 1.00 1.30 H new ATOM 0 HA LYS A 49 -0.844 6.801 3.481 1.00 1.30 H new ATOM 0 HB2 LYS A 49 -0.228 8.881 4.654 1.00 22.52 H new ATOM 0 HB3 LYS A 49 -0.730 8.197 6.187 1.00 22.52 H new ATOM 0 HG2 LYS A 49 1.657 8.084 6.113 1.00 22.41 H new ATOM 0 HG3 LYS A 49 1.061 6.445 5.935 1.00 22.41 H new ATOM 0 HD2 LYS A 49 1.338 6.623 3.461 1.00 2.13 H new ATOM 0 HD3 LYS A 49 1.956 8.251 3.653 1.00 2.13 H new ATOM 0 HE2 LYS A 49 3.202 5.733 4.830 1.00 45.23 H new ATOM 0 HE3 LYS A 49 3.782 6.589 3.414 1.00 45.23 H new ATOM 0 HZ1 LYS A 49 5.075 7.235 5.292 1.00 12.34 H new ATOM 0 HZ2 LYS A 49 4.118 8.565 4.849 1.00 12.34 H new ATOM 0 HZ3 LYS A 49 3.695 7.627 6.200 1.00 12.34 H new ATOM 764 N THR A 50 -1.989 5.666 6.363 1.00 61.20 N ATOM 765 CA THR A 50 -2.157 4.470 7.169 1.00 11.44 C ATOM 766 C THR A 50 -2.974 3.410 6.433 1.00 62.02 C ATOM 767 O THR A 50 -2.618 2.231 6.437 1.00 44.15 O ATOM 768 CB THR A 50 -2.830 4.808 8.508 1.00 73.05 C ATOM 769 OG1 THR A 50 -3.772 5.873 8.322 1.00 4.01 O ATOM 770 CG2 THR A 50 -1.802 5.211 9.550 1.00 31.41 C ATOM 0 H THR A 50 -2.439 6.497 6.747 1.00 61.20 H new ATOM 0 HA THR A 50 -1.163 4.065 7.361 1.00 11.44 H new ATOM 0 HB THR A 50 -3.348 3.917 8.864 1.00 73.05 H new ATOM 0 HG1 THR A 50 -4.200 6.084 9.178 1.00 4.01 H new ATOM 0 HG21 THR A 50 -2.307 5.445 10.488 1.00 31.41 H new ATOM 0 HG22 THR A 50 -1.104 4.389 9.709 1.00 31.41 H new ATOM 0 HG23 THR A 50 -1.257 6.089 9.203 1.00 31.41 H new ATOM 778 N GLU A 51 -4.061 3.835 5.793 1.00 73.54 N ATOM 779 CA GLU A 51 -4.915 2.920 5.040 1.00 25.43 C ATOM 780 C GLU A 51 -4.143 2.197 3.947 1.00 72.43 C ATOM 781 O GLU A 51 -4.247 0.979 3.814 1.00 34.21 O ATOM 782 CB GLU A 51 -6.100 3.659 4.417 1.00 31.32 C ATOM 783 CG GLU A 51 -7.289 3.799 5.351 1.00 15.43 C ATOM 784 CD GLU A 51 -7.761 2.459 5.873 1.00 73.53 C ATOM 785 OE1 GLU A 51 -8.122 1.589 5.051 1.00 22.12 O ATOM 786 OE2 GLU A 51 -7.750 2.261 7.108 1.00 63.11 O ATOM 0 H GLU A 51 -4.371 4.807 5.781 1.00 73.54 H new ATOM 0 HA GLU A 51 -5.285 2.181 5.751 1.00 25.43 H new ATOM 0 HB2 GLU A 51 -5.775 4.652 4.105 1.00 31.32 H new ATOM 0 HB3 GLU A 51 -6.415 3.130 3.518 1.00 31.32 H new ATOM 0 HG2 GLU A 51 -7.017 4.440 6.190 1.00 15.43 H new ATOM 0 HG3 GLU A 51 -8.107 4.292 4.825 1.00 15.43 H new ATOM 793 N LEU A 52 -3.370 2.945 3.172 1.00 51.41 N ATOM 794 CA LEU A 52 -2.638 2.373 2.049 1.00 74.24 C ATOM 795 C LEU A 52 -1.625 1.336 2.534 1.00 61.33 C ATOM 796 O LEU A 52 -1.503 0.258 1.951 1.00 22.33 O ATOM 797 CB LEU A 52 -1.931 3.471 1.249 1.00 72.31 C ATOM 798 CG LEU A 52 -2.811 4.657 0.835 1.00 43.11 C ATOM 799 CD1 LEU A 52 -2.026 5.624 -0.034 1.00 0.30 C ATOM 800 CD2 LEU A 52 -4.067 4.188 0.114 1.00 62.53 C ATOM 0 H LEU A 52 -3.233 3.948 3.299 1.00 51.41 H new ATOM 0 HA LEU A 52 -3.356 1.876 1.397 1.00 74.24 H new ATOM 0 HB2 LEU A 52 -1.098 3.849 1.842 1.00 72.31 H new ATOM 0 HB3 LEU A 52 -1.506 3.025 0.350 1.00 72.31 H new ATOM 0 HG LEU A 52 -3.121 5.177 1.742 1.00 43.11 H new ATOM 0 HD11 LEU A 52 -2.666 6.459 -0.318 1.00 0.30 H new ATOM 0 HD12 LEU A 52 -1.167 5.998 0.523 1.00 0.30 H new ATOM 0 HD13 LEU A 52 -1.681 5.109 -0.931 1.00 0.30 H new ATOM 0 HD21 LEU A 52 -4.670 5.052 -0.166 1.00 62.53 H new ATOM 0 HD22 LEU A 52 -3.787 3.635 -0.782 1.00 62.53 H new ATOM 0 HD23 LEU A 52 -4.645 3.541 0.774 1.00 62.53 H new ATOM 812 N ILE A 53 -0.925 1.658 3.618 1.00 3.05 N ATOM 813 CA ILE A 53 0.057 0.746 4.199 1.00 72.11 C ATOM 814 C ILE A 53 -0.613 -0.543 4.673 1.00 54.02 C ATOM 815 O ILE A 53 -0.181 -1.647 4.328 1.00 12.24 O ATOM 816 CB ILE A 53 0.801 1.393 5.393 1.00 42.10 C ATOM 817 CG1 ILE A 53 1.594 2.616 4.928 1.00 73.33 C ATOM 818 CG2 ILE A 53 1.727 0.384 6.059 1.00 15.03 C ATOM 819 CD1 ILE A 53 2.308 3.341 6.049 1.00 73.23 C ATOM 0 H ILE A 53 -1.019 2.545 4.113 1.00 3.05 H new ATOM 0 HA ILE A 53 0.780 0.518 3.415 1.00 72.11 H new ATOM 0 HB ILE A 53 0.060 1.715 6.125 1.00 42.10 H new ATOM 0 HG12 ILE A 53 2.327 2.302 4.186 1.00 73.33 H new ATOM 0 HG13 ILE A 53 0.916 3.310 4.432 1.00 73.33 H new ATOM 0 HG21 ILE A 53 2.240 0.858 6.895 1.00 15.03 H new ATOM 0 HG22 ILE A 53 1.143 -0.461 6.424 1.00 15.03 H new ATOM 0 HG23 ILE A 53 2.462 0.031 5.335 1.00 15.03 H new ATOM 0 HD11 ILE A 53 2.848 4.196 5.643 1.00 73.23 H new ATOM 0 HD12 ILE A 53 1.578 3.687 6.781 1.00 73.23 H new ATOM 0 HD13 ILE A 53 3.012 2.662 6.531 1.00 73.23 H new ATOM 831 N GLU A 54 -1.675 -0.392 5.453 1.00 2.15 N ATOM 832 CA GLU A 54 -2.381 -1.536 6.018 1.00 55.14 C ATOM 833 C GLU A 54 -3.060 -2.360 4.930 1.00 3.33 C ATOM 834 O GLU A 54 -3.121 -3.583 5.016 1.00 2.12 O ATOM 835 CB GLU A 54 -3.410 -1.066 7.049 1.00 41.12 C ATOM 836 CG GLU A 54 -2.790 -0.374 8.254 1.00 62.30 C ATOM 837 CD GLU A 54 -2.023 -1.322 9.158 1.00 63.35 C ATOM 838 OE1 GLU A 54 -1.332 -2.229 8.646 1.00 62.14 O ATOM 839 OE2 GLU A 54 -2.113 -1.168 10.393 1.00 73.13 O ATOM 0 H GLU A 54 -2.068 0.514 5.710 1.00 2.15 H new ATOM 0 HA GLU A 54 -1.648 -2.173 6.513 1.00 55.14 H new ATOM 0 HB2 GLU A 54 -4.109 -0.382 6.567 1.00 41.12 H new ATOM 0 HB3 GLU A 54 -3.988 -1.924 7.391 1.00 41.12 H new ATOM 0 HG2 GLU A 54 -2.118 0.411 7.908 1.00 62.30 H new ATOM 0 HG3 GLU A 54 -3.577 0.111 8.831 1.00 62.30 H new ATOM 846 N ARG A 55 -3.554 -1.687 3.900 1.00 20.40 N ATOM 847 CA ARG A 55 -4.245 -2.358 2.806 1.00 24.34 C ATOM 848 C ARG A 55 -3.274 -3.235 2.021 1.00 52.23 C ATOM 849 O ARG A 55 -3.610 -4.350 1.621 1.00 32.15 O ATOM 850 CB ARG A 55 -4.902 -1.319 1.899 1.00 14.22 C ATOM 851 CG ARG A 55 -5.916 -1.898 0.933 1.00 72.45 C ATOM 852 CD ARG A 55 -6.924 -0.843 0.509 1.00 2.35 C ATOM 853 NE ARG A 55 -7.572 -0.229 1.669 1.00 52.14 N ATOM 854 CZ ARG A 55 -8.790 -0.551 2.101 1.00 54.30 C ATOM 855 NH1 ARG A 55 -9.515 -1.456 1.452 1.00 32.51 N ATOM 856 NH2 ARG A 55 -9.288 0.029 3.187 1.00 2.14 N ATOM 0 H ARG A 55 -3.489 -0.674 3.798 1.00 20.40 H new ATOM 0 HA ARG A 55 -5.022 -3.004 3.214 1.00 24.34 H new ATOM 0 HB2 ARG A 55 -5.393 -0.569 2.519 1.00 14.22 H new ATOM 0 HB3 ARG A 55 -4.127 -0.805 1.331 1.00 14.22 H new ATOM 0 HG2 ARG A 55 -5.404 -2.292 0.055 1.00 72.45 H new ATOM 0 HG3 ARG A 55 -6.434 -2.735 1.402 1.00 72.45 H new ATOM 0 HD2 ARG A 55 -6.423 -0.074 -0.079 1.00 2.35 H new ATOM 0 HD3 ARG A 55 -7.679 -1.296 -0.134 1.00 2.35 H new ATOM 0 HE ARG A 55 -7.059 0.490 2.178 1.00 52.14 H new ATOM 0 HH11 ARG A 55 -9.139 -1.908 0.618 1.00 32.51 H new ATOM 0 HH12 ARG A 55 -10.447 -1.699 1.787 1.00 32.51 H new ATOM 0 HH21 ARG A 55 -8.737 0.723 3.693 1.00 2.14 H new ATOM 0 HH22 ARG A 55 -10.221 -0.220 3.516 1.00 2.14 H new ATOM 870 N LEU A 56 -2.064 -2.728 1.822 1.00 62.23 N ATOM 871 CA LEU A 56 -0.999 -3.508 1.203 1.00 42.23 C ATOM 872 C LEU A 56 -0.626 -4.689 2.092 1.00 30.22 C ATOM 873 O LEU A 56 -0.582 -5.836 1.641 1.00 11.31 O ATOM 874 CB LEU A 56 0.236 -2.634 0.961 1.00 22.12 C ATOM 875 CG LEU A 56 0.133 -1.655 -0.209 1.00 14.14 C ATOM 876 CD1 LEU A 56 1.289 -0.667 -0.179 1.00 10.55 C ATOM 877 CD2 LEU A 56 0.117 -2.411 -1.530 1.00 44.55 C ATOM 0 H LEU A 56 -1.795 -1.779 2.081 1.00 62.23 H new ATOM 0 HA LEU A 56 -1.360 -3.881 0.245 1.00 42.23 H new ATOM 0 HB2 LEU A 56 0.441 -2.067 1.869 1.00 22.12 H new ATOM 0 HB3 LEU A 56 1.093 -3.286 0.792 1.00 22.12 H new ATOM 0 HG LEU A 56 -0.800 -1.099 -0.114 1.00 14.14 H new ATOM 0 HD11 LEU A 56 1.200 0.022 -1.019 1.00 10.55 H new ATOM 0 HD12 LEU A 56 1.264 -0.106 0.755 1.00 10.55 H new ATOM 0 HD13 LEU A 56 2.232 -1.208 -0.252 1.00 10.55 H new ATOM 0 HD21 LEU A 56 0.043 -1.702 -2.354 1.00 44.55 H new ATOM 0 HD22 LEU A 56 1.036 -2.989 -1.630 1.00 44.55 H new ATOM 0 HD23 LEU A 56 -0.740 -3.085 -1.553 1.00 44.55 H new ATOM 889 N ARG A 57 -0.371 -4.397 3.362 1.00 63.31 N ATOM 890 CA ARG A 57 0.047 -5.407 4.326 1.00 10.22 C ATOM 891 C ARG A 57 -0.992 -6.514 4.475 1.00 65.15 C ATOM 892 O ARG A 57 -0.644 -7.693 4.478 1.00 4.41 O ATOM 893 CB ARG A 57 0.339 -4.751 5.677 1.00 12.34 C ATOM 894 CG ARG A 57 1.798 -4.358 5.845 1.00 52.22 C ATOM 895 CD ARG A 57 1.962 -3.027 6.561 1.00 35.15 C ATOM 896 NE ARG A 57 1.193 -2.947 7.805 1.00 10.35 N ATOM 897 CZ ARG A 57 1.725 -3.001 9.028 1.00 41.34 C ATOM 898 NH1 ARG A 57 3.017 -3.261 9.193 1.00 20.53 N ATOM 899 NH2 ARG A 57 0.950 -2.810 10.086 1.00 24.31 N ATOM 0 H ARG A 57 -0.448 -3.457 3.751 1.00 63.31 H new ATOM 0 HA ARG A 57 0.959 -5.872 3.951 1.00 10.22 H new ATOM 0 HB2 ARG A 57 -0.285 -3.864 5.786 1.00 12.34 H new ATOM 0 HB3 ARG A 57 0.059 -5.438 6.476 1.00 12.34 H new ATOM 0 HG2 ARG A 57 2.318 -5.135 6.405 1.00 52.22 H new ATOM 0 HG3 ARG A 57 2.271 -4.301 4.865 1.00 52.22 H new ATOM 0 HD2 ARG A 57 3.017 -2.867 6.782 1.00 35.15 H new ATOM 0 HD3 ARG A 57 1.650 -2.222 5.895 1.00 35.15 H new ATOM 0 HE ARG A 57 0.181 -2.843 7.732 1.00 10.35 H new ATOM 0 HH11 ARG A 57 3.613 -3.422 8.381 1.00 20.53 H new ATOM 0 HH12 ARG A 57 3.414 -3.300 10.132 1.00 20.53 H new ATOM 0 HH21 ARG A 57 -0.045 -2.623 9.962 1.00 24.31 H new ATOM 0 HH22 ARG A 57 1.349 -2.850 11.024 1.00 24.31 H new ATOM 913 N ALA A 58 -2.260 -6.135 4.573 1.00 44.32 N ATOM 914 CA ALA A 58 -3.344 -7.101 4.721 1.00 53.50 C ATOM 915 C ALA A 58 -3.485 -7.971 3.475 1.00 21.43 C ATOM 916 O ALA A 58 -3.828 -9.152 3.564 1.00 31.33 O ATOM 917 CB ALA A 58 -4.653 -6.385 5.022 1.00 64.23 C ATOM 0 H ALA A 58 -2.565 -5.162 4.553 1.00 44.32 H new ATOM 0 HA ALA A 58 -3.100 -7.755 5.558 1.00 53.50 H new ATOM 0 HB1 ALA A 58 -5.452 -7.118 5.130 1.00 64.23 H new ATOM 0 HB2 ALA A 58 -4.553 -5.818 5.948 1.00 64.23 H new ATOM 0 HB3 ALA A 58 -4.892 -5.705 4.204 1.00 64.23 H new ATOM 923 N TYR A 59 -3.214 -7.388 2.316 1.00 12.44 N ATOM 924 CA TYR A 59 -3.284 -8.127 1.063 1.00 52.31 C ATOM 925 C TYR A 59 -2.131 -9.125 0.973 1.00 63.25 C ATOM 926 O TYR A 59 -2.323 -10.275 0.586 1.00 12.13 O ATOM 927 CB TYR A 59 -3.259 -7.166 -0.132 1.00 52.41 C ATOM 928 CG TYR A 59 -3.391 -7.853 -1.474 1.00 62.04 C ATOM 929 CD1 TYR A 59 -4.576 -8.474 -1.843 1.00 30.04 C ATOM 930 CD2 TYR A 59 -2.330 -7.881 -2.369 1.00 31.35 C ATOM 931 CE1 TYR A 59 -4.702 -9.105 -3.068 1.00 33.22 C ATOM 932 CE2 TYR A 59 -2.444 -8.509 -3.597 1.00 74.22 C ATOM 933 CZ TYR A 59 -3.634 -9.120 -3.942 1.00 41.21 C ATOM 934 OH TYR A 59 -3.757 -9.752 -5.162 1.00 33.15 O ATOM 0 H TYR A 59 -2.945 -6.409 2.217 1.00 12.44 H new ATOM 0 HA TYR A 59 -4.224 -8.679 1.037 1.00 52.31 H new ATOM 0 HB2 TYR A 59 -4.069 -6.445 -0.023 1.00 52.41 H new ATOM 0 HB3 TYR A 59 -2.326 -6.603 -0.113 1.00 52.41 H new ATOM 0 HD1 TYR A 59 -5.414 -8.465 -1.162 1.00 30.04 H new ATOM 0 HD2 TYR A 59 -1.399 -7.404 -2.102 1.00 31.35 H new ATOM 0 HE1 TYR A 59 -5.632 -9.583 -3.339 1.00 33.22 H new ATOM 0 HE2 TYR A 59 -1.608 -8.521 -4.281 1.00 74.22 H new ATOM 0 HH TYR A 59 -2.916 -9.671 -5.659 1.00 33.15 H new ATOM 944 N GLN A 60 -0.941 -8.684 1.354 1.00 4.21 N ATOM 945 CA GLN A 60 0.242 -9.534 1.302 1.00 74.21 C ATOM 946 C GLN A 60 0.156 -10.619 2.378 1.00 51.44 C ATOM 947 O GLN A 60 0.639 -11.739 2.192 1.00 21.12 O ATOM 948 CB GLN A 60 1.497 -8.670 1.481 1.00 2.12 C ATOM 949 CG GLN A 60 2.773 -9.255 0.879 1.00 62.22 C ATOM 950 CD GLN A 60 3.383 -10.363 1.715 1.00 54.24 C ATOM 951 OE1 GLN A 60 3.244 -10.380 2.939 1.00 74.43 O ATOM 952 NE2 GLN A 60 4.077 -11.287 1.065 1.00 53.42 N ATOM 0 H GLN A 60 -0.768 -7.741 1.703 1.00 4.21 H new ATOM 0 HA GLN A 60 0.298 -10.030 0.333 1.00 74.21 H new ATOM 0 HB2 GLN A 60 1.315 -7.694 1.031 1.00 2.12 H new ATOM 0 HB3 GLN A 60 1.658 -8.505 2.546 1.00 2.12 H new ATOM 0 HG2 GLN A 60 2.552 -9.641 -0.116 1.00 62.22 H new ATOM 0 HG3 GLN A 60 3.506 -8.458 0.756 1.00 62.22 H new ATOM 0 HE21 GLN A 60 4.168 -11.237 0.050 1.00 53.42 H new ATOM 0 HE22 GLN A 60 4.520 -12.048 1.580 1.00 53.42 H new ATOM 961 N ASP A 61 -0.484 -10.281 3.492 1.00 73.23 N ATOM 962 CA ASP A 61 -0.666 -11.214 4.601 1.00 1.21 C ATOM 963 C ASP A 61 -1.461 -12.443 4.173 1.00 1.31 C ATOM 964 O ASP A 61 -1.073 -13.573 4.461 1.00 72.25 O ATOM 965 CB ASP A 61 -1.371 -10.515 5.767 1.00 51.52 C ATOM 966 CG ASP A 61 -1.807 -11.474 6.857 1.00 54.12 C ATOM 967 OD1 ASP A 61 -0.930 -12.076 7.514 1.00 51.14 O ATOM 968 OD2 ASP A 61 -3.029 -11.630 7.056 1.00 4.14 O ATOM 0 H ASP A 61 -0.889 -9.359 3.653 1.00 73.23 H new ATOM 0 HA ASP A 61 0.321 -11.547 4.922 1.00 1.21 H new ATOM 0 HB2 ASP A 61 -0.701 -9.769 6.194 1.00 51.52 H new ATOM 0 HB3 ASP A 61 -2.244 -9.982 5.390 1.00 51.52 H new ATOM 973 N GLN A 62 -2.565 -12.220 3.465 1.00 61.42 N ATOM 974 CA GLN A 62 -3.436 -13.316 3.049 1.00 12.13 C ATOM 975 C GLN A 62 -2.831 -14.093 1.877 1.00 55.45 C ATOM 976 O GLN A 62 -3.228 -15.223 1.598 1.00 34.12 O ATOM 977 CB GLN A 62 -4.831 -12.787 2.699 1.00 0.55 C ATOM 978 CG GLN A 62 -4.844 -11.787 1.556 1.00 45.33 C ATOM 979 CD GLN A 62 -6.171 -11.072 1.424 1.00 2.34 C ATOM 980 OE1 GLN A 62 -7.073 -11.528 0.720 1.00 44.21 O ATOM 981 NE2 GLN A 62 -6.302 -9.940 2.099 1.00 42.21 N ATOM 0 H GLN A 62 -2.877 -11.295 3.168 1.00 61.42 H new ATOM 0 HA GLN A 62 -3.532 -14.009 3.885 1.00 12.13 H new ATOM 0 HB2 GLN A 62 -5.473 -13.629 2.439 1.00 0.55 H new ATOM 0 HB3 GLN A 62 -5.263 -12.318 3.583 1.00 0.55 H new ATOM 0 HG2 GLN A 62 -4.054 -11.053 1.712 1.00 45.33 H new ATOM 0 HG3 GLN A 62 -4.620 -12.304 0.623 1.00 45.33 H new ATOM 0 HE21 GLN A 62 -5.531 -9.595 2.671 1.00 42.21 H new ATOM 0 HE22 GLN A 62 -7.174 -9.413 2.046 1.00 42.21 H new ATOM 990 N ILE A 63 -1.873 -13.479 1.188 1.00 33.55 N ATOM 991 CA ILE A 63 -1.104 -14.177 0.163 1.00 62.02 C ATOM 992 C ILE A 63 -0.165 -15.180 0.826 1.00 62.11 C ATOM 993 O ILE A 63 0.032 -16.298 0.341 1.00 50.23 O ATOM 994 CB ILE A 63 -0.275 -13.193 -0.696 1.00 1.24 C ATOM 995 CG1 ILE A 63 -1.196 -12.274 -1.502 1.00 32.22 C ATOM 996 CG2 ILE A 63 0.674 -13.944 -1.620 1.00 65.32 C ATOM 997 CD1 ILE A 63 -0.453 -11.218 -2.295 1.00 12.02 C ATOM 0 H ILE A 63 -1.611 -12.502 1.321 1.00 33.55 H new ATOM 0 HA ILE A 63 -1.807 -14.691 -0.492 1.00 62.02 H new ATOM 0 HB ILE A 63 0.323 -12.578 -0.024 1.00 1.24 H new ATOM 0 HG12 ILE A 63 -1.791 -12.879 -2.186 1.00 32.22 H new ATOM 0 HG13 ILE A 63 -1.892 -11.783 -0.822 1.00 32.22 H new ATOM 0 HG21 ILE A 63 1.245 -13.230 -2.213 1.00 65.32 H new ATOM 0 HG22 ILE A 63 1.357 -14.550 -1.025 1.00 65.32 H new ATOM 0 HG23 ILE A 63 0.100 -14.590 -2.284 1.00 65.32 H new ATOM 0 HD11 ILE A 63 -1.168 -10.603 -2.842 1.00 12.02 H new ATOM 0 HD12 ILE A 63 0.121 -10.589 -1.615 1.00 12.02 H new ATOM 0 HD13 ILE A 63 0.223 -11.701 -3.000 1.00 12.02 H new ATOM 1009 N SER A 64 0.389 -14.770 1.955 1.00 65.11 N ATOM 1010 CA SER A 64 1.317 -15.597 2.700 1.00 32.22 C ATOM 1011 C SER A 64 0.581 -16.755 3.369 1.00 20.23 C ATOM 1012 O SER A 64 -0.585 -16.620 3.747 1.00 43.35 O ATOM 1013 CB SER A 64 2.034 -14.738 3.744 1.00 25.31 C ATOM 1014 OG SER A 64 2.634 -13.604 3.134 1.00 3.35 O ATOM 0 H SER A 64 0.208 -13.859 2.377 1.00 65.11 H new ATOM 0 HA SER A 64 2.054 -16.018 2.016 1.00 32.22 H new ATOM 0 HB2 SER A 64 1.325 -14.415 4.506 1.00 25.31 H new ATOM 0 HB3 SER A 64 2.796 -15.331 4.249 1.00 25.31 H new ATOM 0 HG SER A 64 1.936 -12.976 2.852 1.00 3.35 H new ATOM 1020 N PRO A 65 1.241 -17.918 3.495 1.00 33.33 N ATOM 1021 CA PRO A 65 0.663 -19.086 4.159 1.00 53.43 C ATOM 1022 C PRO A 65 0.340 -18.798 5.619 1.00 62.01 C ATOM 1023 O PRO A 65 1.236 -18.535 6.425 1.00 51.12 O ATOM 1024 CB PRO A 65 1.756 -20.156 4.054 1.00 23.42 C ATOM 1025 CG PRO A 65 2.649 -19.688 2.959 1.00 13.31 C ATOM 1026 CD PRO A 65 2.598 -18.188 2.997 1.00 30.21 C ATOM 0 HA PRO A 65 -0.278 -19.390 3.701 1.00 53.43 H new ATOM 0 HB2 PRO A 65 2.301 -20.257 4.992 1.00 23.42 H new ATOM 0 HB3 PRO A 65 1.331 -21.133 3.826 1.00 23.42 H new ATOM 0 HG2 PRO A 65 3.667 -20.048 3.105 1.00 13.31 H new ATOM 0 HG3 PRO A 65 2.313 -20.066 1.993 1.00 13.31 H new ATOM 0 HD2 PRO A 65 3.360 -17.774 3.657 1.00 30.21 H new ATOM 0 HD3 PRO A 65 2.760 -17.753 2.011 1.00 30.21 H new ATOM 1034 N VAL A 66 -0.938 -18.831 5.950 1.00 43.15 N ATOM 1035 CA VAL A 66 -1.376 -18.552 7.304 1.00 14.43 C ATOM 1036 C VAL A 66 -1.297 -19.815 8.155 1.00 44.13 C ATOM 1037 O VAL A 66 -1.707 -20.896 7.725 1.00 4.54 O ATOM 1038 CB VAL A 66 -2.808 -17.967 7.342 1.00 52.20 C ATOM 1039 CG1 VAL A 66 -2.861 -16.640 6.600 1.00 74.33 C ATOM 1040 CG2 VAL A 66 -3.822 -18.940 6.759 1.00 33.33 C ATOM 0 H VAL A 66 -1.692 -19.049 5.298 1.00 43.15 H new ATOM 0 HA VAL A 66 -0.705 -17.798 7.716 1.00 14.43 H new ATOM 0 HB VAL A 66 -3.069 -17.798 8.387 1.00 52.20 H new ATOM 0 HG11 VAL A 66 -3.875 -16.243 6.637 1.00 74.33 H new ATOM 0 HG12 VAL A 66 -2.177 -15.933 7.070 1.00 74.33 H new ATOM 0 HG13 VAL A 66 -2.568 -16.792 5.561 1.00 74.33 H new ATOM 0 HG21 VAL A 66 -4.817 -18.497 6.801 1.00 33.33 H new ATOM 0 HG22 VAL A 66 -3.565 -19.156 5.722 1.00 33.33 H new ATOM 0 HG23 VAL A 66 -3.812 -19.865 7.335 1.00 33.33 H new ATOM 1050 N PRO A 67 -0.746 -19.697 9.370 1.00 11.05 N ATOM 1051 CA PRO A 67 -0.591 -20.826 10.292 1.00 63.42 C ATOM 1052 C PRO A 67 -1.902 -21.215 10.972 1.00 54.05 C ATOM 1053 O PRO A 67 -1.928 -21.512 12.167 1.00 11.31 O ATOM 1054 CB PRO A 67 0.410 -20.295 11.318 1.00 53.54 C ATOM 1055 CG PRO A 67 0.190 -18.822 11.336 1.00 43.22 C ATOM 1056 CD PRO A 67 -0.208 -18.443 9.936 1.00 72.34 C ATOM 0 HA PRO A 67 -0.266 -21.732 9.780 1.00 63.42 H new ATOM 0 HB2 PRO A 67 0.239 -20.733 12.301 1.00 53.54 H new ATOM 0 HB3 PRO A 67 1.434 -20.539 11.035 1.00 53.54 H new ATOM 0 HG2 PRO A 67 -0.589 -18.553 12.049 1.00 43.22 H new ATOM 0 HG3 PRO A 67 1.095 -18.296 11.640 1.00 43.22 H new ATOM 0 HD2 PRO A 67 -0.956 -17.650 9.934 1.00 72.34 H new ATOM 0 HD3 PRO A 67 0.644 -18.079 9.363 1.00 72.34 H new ATOM 1064 N GLY A 68 -2.978 -21.240 10.203 1.00 40.02 N ATOM 1065 CA GLY A 68 -4.281 -21.526 10.762 1.00 52.33 C ATOM 1066 C GLY A 68 -4.923 -20.279 11.320 1.00 2.03 C ATOM 1067 O GLY A 68 -4.614 -19.864 12.437 1.00 54.22 O ATOM 0 H GLY A 68 -2.972 -21.067 9.198 1.00 40.02 H new ATOM 0 HA2 GLY A 68 -4.923 -21.955 9.993 1.00 52.33 H new ATOM 0 HA3 GLY A 68 -4.185 -22.273 11.550 1.00 52.33 H new ATOM 1071 N ALA A 69 -5.806 -19.673 10.542 1.00 25.14 N ATOM 1072 CA ALA A 69 -6.433 -18.419 10.927 1.00 61.01 C ATOM 1073 C ALA A 69 -7.803 -18.279 10.278 1.00 22.24 C ATOM 1074 O ALA A 69 -8.006 -18.727 9.147 1.00 4.50 O ATOM 1075 CB ALA A 69 -5.547 -17.243 10.541 1.00 64.44 C ATOM 0 H ALA A 69 -6.106 -20.032 9.635 1.00 25.14 H new ATOM 0 HA ALA A 69 -6.563 -18.421 12.009 1.00 61.01 H new ATOM 0 HB1 ALA A 69 -6.030 -16.311 10.836 1.00 64.44 H new ATOM 0 HB2 ALA A 69 -4.586 -17.330 11.048 1.00 64.44 H new ATOM 0 HB3 ALA A 69 -5.390 -17.245 9.462 1.00 64.44 H new ATOM 1081 N PRO A 70 -8.765 -17.672 10.991 1.00 24.43 N ATOM 1082 CA PRO A 70 -10.104 -17.414 10.455 1.00 12.04 C ATOM 1083 C PRO A 70 -10.048 -16.537 9.212 1.00 71.24 C ATOM 1084 O PRO A 70 -9.582 -15.393 9.264 1.00 13.11 O ATOM 1085 CB PRO A 70 -10.819 -16.685 11.596 1.00 0.43 C ATOM 1086 CG PRO A 70 -10.053 -17.047 12.821 1.00 60.11 C ATOM 1087 CD PRO A 70 -8.629 -17.198 12.377 1.00 44.41 C ATOM 0 HA PRO A 70 -10.609 -18.329 10.147 1.00 12.04 H new ATOM 0 HB2 PRO A 70 -10.822 -15.607 11.436 1.00 0.43 H new ATOM 0 HB3 PRO A 70 -11.860 -16.998 11.674 1.00 0.43 H new ATOM 0 HG2 PRO A 70 -10.146 -16.274 13.584 1.00 60.11 H new ATOM 0 HG3 PRO A 70 -10.427 -17.973 13.258 1.00 60.11 H new ATOM 0 HD2 PRO A 70 -8.087 -16.254 12.430 1.00 44.41 H new ATOM 0 HD3 PRO A 70 -8.086 -17.912 12.997 1.00 44.41 H new ATOM 1095 N LYS A 71 -10.517 -17.076 8.096 1.00 63.10 N ATOM 1096 CA LYS A 71 -10.450 -16.382 6.820 1.00 3.33 C ATOM 1097 C LYS A 71 -11.485 -15.264 6.759 1.00 24.31 C ATOM 1098 O LYS A 71 -12.638 -15.477 6.383 1.00 54.22 O ATOM 1099 CB LYS A 71 -10.641 -17.374 5.667 1.00 32.14 C ATOM 1100 CG LYS A 71 -10.553 -16.746 4.284 1.00 21.13 C ATOM 1101 CD LYS A 71 -10.430 -17.808 3.203 1.00 12.31 C ATOM 1102 CE LYS A 71 -10.417 -17.201 1.810 1.00 71.21 C ATOM 1103 NZ LYS A 71 -11.761 -16.721 1.394 1.00 71.15 N ATOM 0 H LYS A 71 -10.951 -17.998 8.050 1.00 63.10 H new ATOM 0 HA LYS A 71 -9.464 -15.928 6.721 1.00 3.33 H new ATOM 0 HB2 LYS A 71 -9.887 -18.157 5.747 1.00 32.14 H new ATOM 0 HB3 LYS A 71 -11.613 -17.856 5.774 1.00 32.14 H new ATOM 0 HG2 LYS A 71 -11.439 -16.138 4.101 1.00 21.13 H new ATOM 0 HG3 LYS A 71 -9.693 -16.077 4.240 1.00 21.13 H new ATOM 0 HD2 LYS A 71 -9.515 -18.380 3.358 1.00 12.31 H new ATOM 0 HD3 LYS A 71 -11.261 -18.508 3.286 1.00 12.31 H new ATOM 0 HE2 LYS A 71 -9.712 -16.370 1.784 1.00 71.21 H new ATOM 0 HE3 LYS A 71 -10.061 -17.943 1.095 1.00 71.21 H new ATOM 0 HZ1 LYS A 71 -11.715 -16.362 0.419 1.00 71.15 H new ATOM 0 HZ2 LYS A 71 -12.440 -17.507 1.442 1.00 71.15 H new ATOM 0 HZ3 LYS A 71 -12.069 -15.958 2.030 1.00 71.15 H new ATOM 1117 N ALA A 72 -11.063 -14.083 7.174 1.00 35.31 N ATOM 1118 CA ALA A 72 -11.892 -12.891 7.118 1.00 50.44 C ATOM 1119 C ALA A 72 -11.011 -11.663 6.924 1.00 34.32 C ATOM 1120 O ALA A 72 -10.558 -11.054 7.893 1.00 62.03 O ATOM 1121 CB ALA A 72 -12.734 -12.759 8.379 1.00 21.32 C ATOM 0 H ALA A 72 -10.133 -13.923 7.561 1.00 35.31 H new ATOM 0 HA ALA A 72 -12.574 -12.974 6.271 1.00 50.44 H new ATOM 0 HB1 ALA A 72 -13.347 -11.860 8.315 1.00 21.32 H new ATOM 0 HB2 ALA A 72 -13.380 -13.632 8.478 1.00 21.32 H new ATOM 0 HB3 ALA A 72 -12.080 -12.691 9.248 1.00 21.32 H new ATOM 1127 N PRO A 73 -10.713 -11.321 5.661 1.00 5.00 N ATOM 1128 CA PRO A 73 -9.845 -10.195 5.325 1.00 45.03 C ATOM 1129 C PRO A 73 -10.533 -8.852 5.522 1.00 64.53 C ATOM 1130 O PRO A 73 -11.718 -8.694 5.213 1.00 61.10 O ATOM 1131 CB PRO A 73 -9.516 -10.408 3.838 1.00 62.32 C ATOM 1132 CG PRO A 73 -10.088 -11.742 3.477 1.00 62.23 C ATOM 1133 CD PRO A 73 -11.191 -12.004 4.456 1.00 15.14 C ATOM 0 HA PRO A 73 -8.965 -10.167 5.967 1.00 45.03 H new ATOM 0 HB2 PRO A 73 -9.950 -9.618 3.225 1.00 62.32 H new ATOM 0 HB3 PRO A 73 -8.439 -10.386 3.669 1.00 62.32 H new ATOM 0 HG2 PRO A 73 -10.467 -11.739 2.455 1.00 62.23 H new ATOM 0 HG3 PRO A 73 -9.326 -12.520 3.532 1.00 62.23 H new ATOM 0 HD2 PRO A 73 -12.144 -11.601 4.112 1.00 15.14 H new ATOM 0 HD3 PRO A 73 -11.339 -13.071 4.625 1.00 15.14 H new ATOM 1141 N ALA A 74 -9.788 -7.889 6.043 1.00 53.41 N ATOM 1142 CA ALA A 74 -10.311 -6.547 6.240 1.00 72.03 C ATOM 1143 C ALA A 74 -10.055 -5.689 5.007 1.00 5.31 C ATOM 1144 O ALA A 74 -8.923 -5.593 4.531 1.00 14.41 O ATOM 1145 CB ALA A 74 -9.690 -5.912 7.475 1.00 64.40 C ATOM 0 H ALA A 74 -8.819 -8.013 6.337 1.00 53.41 H new ATOM 0 HA ALA A 74 -11.388 -6.613 6.393 1.00 72.03 H new ATOM 0 HB1 ALA A 74 -10.092 -4.908 7.609 1.00 64.40 H new ATOM 0 HB2 ALA A 74 -9.924 -6.516 8.352 1.00 64.40 H new ATOM 0 HB3 ALA A 74 -8.609 -5.857 7.351 1.00 64.40 H new ATOM 1151 N ALA A 75 -11.109 -5.077 4.491 1.00 41.33 N ATOM 1152 CA ALA A 75 -11.016 -4.254 3.298 1.00 32.53 C ATOM 1153 C ALA A 75 -11.879 -3.009 3.449 1.00 65.31 C ATOM 1154 O ALA A 75 -11.314 -1.906 3.591 1.00 38.40 O ATOM 1155 CB ALA A 75 -11.430 -5.048 2.067 1.00 44.31 C ATOM 1156 OXT ALA A 75 -13.120 -3.144 3.462 1.00 38.40 O ATOM 0 H ALA A 75 -12.048 -5.137 4.886 1.00 41.33 H new ATOM 0 HA ALA A 75 -9.979 -3.943 3.169 1.00 32.53 H new ATOM 0 HB1 ALA A 75 -11.354 -4.415 1.183 1.00 44.31 H new ATOM 0 HB2 ALA A 75 -10.774 -5.911 1.953 1.00 44.31 H new ATOM 0 HB3 ALA A 75 -12.459 -5.388 2.182 1.00 44.31 H new TER 1162 ALA A 75