USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 721 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 24 ASN : amide:sc= -0.0578 K(o=0.41,f=-0.93) USER MOD Set 1.2: A 32 TYR OH : rot 27:sc= 0.471 USER MOD Set 2.1: A 13 THR OG1 : rot 167:sc= 0.985 USER MOD Set 2.2: A 15 HIS : no HD1:sc= -0.397 X(o=0.59,f=0.99) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.0274 (180deg=-0.0348) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.333 X(o=-0.33,f=0.05) USER MOD Single : A 6 HIS : no HD1:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.15) USER MOD Single : A 8 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.071) USER MOD Single : A 9 SER OG : rot -47:sc= 0.771 USER MOD Single : A 10 HIS : no HE2:sc= 0.104 K(o=0.1,f=-3.8!) USER MOD Single : A 11 MET CE :methyl -123:sc= -0.267 (180deg=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc=-0.00841 (180deg=-0.107) USER MOD Single : A 18 ASN : amide:sc= -0.201 K(o=-0.2,f=-4.9!) USER MOD Single : A 21 MET CE :methyl -174:sc= -0.606 (180deg=-0.699) USER MOD Single : A 26 LYS NZ :NH3+ -109:sc= 1.01 (180deg=-0.416) USER MOD Single : A 31 LYS NZ :NH3+ -125:sc= 0.188 (180deg=-1.03) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -26:sc= 0.746 USER MOD Single : A 41 SER OG : rot -48:sc= 0.518 USER MOD Single : A 42 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.5) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -171:sc= -0.382 (180deg=-0.618) USER MOD Single : A 55 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.27) USER MOD Single : A 56 LYS NZ :NH3+ -155:sc= 1.26 (180deg=1.2) USER MOD Single : A 58 GLN : amide:sc= 0.94 K(o=0.94,f=-0.52) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.7 K(o=-1.7,f=-8.3!) USER MOD Single : A 64 LYS NZ :NH3+ -120:sc= 0.856 (180deg=-1.09) USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00056) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -115:sc= 0.759 (180deg=0.0537) USER MOD Single : A 83 THR OG1 : rot -170:sc= -0.809 USER MOD Single : A 90 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.11) USER MOD Single : A 91 LYS NZ :NH3+ -167:sc= -0.0214 (180deg=-0.193) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.774 12.839 27.951 1.00 55.20 N ATOM 2 CA MET A 1 -9.184 14.233 27.623 1.00 65.23 C ATOM 3 C MET A 1 -8.766 14.631 26.198 1.00 34.03 C ATOM 4 O MET A 1 -9.492 15.346 25.509 1.00 31.54 O ATOM 5 CB MET A 1 -8.592 15.223 28.640 1.00 42.11 C ATOM 6 CG MET A 1 -7.071 15.288 28.642 1.00 62.31 C ATOM 7 SD MET A 1 -6.430 16.520 29.793 1.00 5.53 S ATOM 8 CE MET A 1 -4.671 16.420 29.463 1.00 44.22 C ATOM 0 H1 MET A 1 -9.103 12.596 28.907 1.00 55.20 H new ATOM 0 H2 MET A 1 -9.195 12.182 27.263 1.00 55.20 H new ATOM 0 H3 MET A 1 -7.737 12.764 27.912 1.00 55.20 H new ATOM 0 HA MET A 1 -10.272 14.272 27.676 1.00 65.23 H new ATOM 0 HB2 MET A 1 -8.986 16.218 28.432 1.00 42.11 H new ATOM 0 HB3 MET A 1 -8.933 14.947 29.638 1.00 42.11 H new ATOM 0 HG2 MET A 1 -6.670 14.309 28.903 1.00 62.31 H new ATOM 0 HG3 MET A 1 -6.720 15.518 27.636 1.00 62.31 H new ATOM 0 HE1 MET A 1 -4.140 17.126 30.101 1.00 44.22 H new ATOM 0 HE2 MET A 1 -4.319 15.409 29.669 1.00 44.22 H new ATOM 0 HE3 MET A 1 -4.483 16.664 28.417 1.00 44.22 H new ATOM 20 N GLY A 2 -7.593 14.170 25.754 1.00 0.33 N ATOM 21 CA GLY A 2 -7.100 14.529 24.426 1.00 64.03 C ATOM 22 C GLY A 2 -7.745 13.725 23.298 1.00 12.50 C ATOM 23 O GLY A 2 -7.075 12.945 22.620 1.00 53.32 O ATOM 0 H GLY A 2 -6.977 13.557 26.287 1.00 0.33 H new ATOM 0 HA2 GLY A 2 -7.281 15.590 24.255 1.00 64.03 H new ATOM 0 HA3 GLY A 2 -6.021 14.381 24.396 1.00 64.03 H new ATOM 27 N HIS A 3 -9.050 13.913 23.096 1.00 53.11 N ATOM 28 CA HIS A 3 -9.774 13.240 22.011 1.00 34.52 C ATOM 29 C HIS A 3 -9.678 14.039 20.701 1.00 33.04 C ATOM 30 O HIS A 3 -9.484 13.474 19.622 1.00 74.53 O ATOM 31 CB HIS A 3 -11.246 13.045 22.400 1.00 71.01 C ATOM 32 CG HIS A 3 -12.076 12.426 21.317 1.00 34.25 C ATOM 33 ND1 HIS A 3 -12.878 13.159 20.470 1.00 25.14 N ATOM 34 CD2 HIS A 3 -12.221 11.134 20.937 1.00 70.23 C ATOM 35 CE1 HIS A 3 -13.477 12.350 19.622 1.00 74.11 C ATOM 36 NE2 HIS A 3 -13.097 11.118 19.882 1.00 32.41 N ATOM 0 H HIS A 3 -9.630 14.526 23.669 1.00 53.11 H new ATOM 0 HA HIS A 3 -9.312 12.266 21.850 1.00 34.52 H new ATOM 0 HB2 HIS A 3 -11.298 12.417 23.290 1.00 71.01 H new ATOM 0 HB3 HIS A 3 -11.674 14.011 22.666 1.00 71.01 H new ATOM 0 HD2 HIS A 3 -11.737 10.277 21.382 1.00 70.23 H new ATOM 0 HE1 HIS A 3 -14.164 12.648 18.844 1.00 74.11 H new ATOM 0 HE2 HIS A 3 -13.404 10.285 19.380 1.00 32.41 H new ATOM 45 N HIS A 4 -9.825 15.356 20.803 1.00 71.04 N ATOM 46 CA HIS A 4 -9.755 16.234 19.636 1.00 12.30 C ATOM 47 C HIS A 4 -8.301 16.506 19.228 1.00 4.10 C ATOM 48 O HIS A 4 -7.629 17.359 19.809 1.00 45.31 O ATOM 49 CB HIS A 4 -10.481 17.558 19.919 1.00 32.05 C ATOM 50 CG HIS A 4 -10.458 18.517 18.763 1.00 4.34 C ATOM 51 ND1 HIS A 4 -11.356 18.457 17.721 1.00 73.52 N ATOM 52 CD2 HIS A 4 -9.634 19.558 18.481 1.00 31.31 C ATOM 53 CE1 HIS A 4 -11.089 19.409 16.852 1.00 13.33 C ATOM 54 NE2 HIS A 4 -10.053 20.091 17.288 1.00 32.21 N ATOM 0 H HIS A 4 -9.994 15.842 21.684 1.00 71.04 H new ATOM 0 HA HIS A 4 -10.249 15.727 18.807 1.00 12.30 H new ATOM 0 HB2 HIS A 4 -11.517 17.345 20.183 1.00 32.05 H new ATOM 0 HB3 HIS A 4 -10.023 18.036 20.785 1.00 32.05 H new ATOM 0 HD2 HIS A 4 -8.805 19.902 19.082 1.00 31.31 H new ATOM 0 HE1 HIS A 4 -11.629 19.598 15.936 1.00 13.33 H new ATOM 0 HE2 HIS A 4 -9.629 20.889 16.815 1.00 32.21 H new ATOM 63 N HIS A 5 -7.816 15.765 18.237 1.00 43.14 N ATOM 64 CA HIS A 5 -6.480 16.010 17.684 1.00 52.52 C ATOM 65 C HIS A 5 -6.440 17.374 16.975 1.00 2.24 C ATOM 66 O HIS A 5 -7.277 17.661 16.116 1.00 0.31 O ATOM 67 CB HIS A 5 -6.084 14.879 16.727 1.00 22.13 C ATOM 68 CG HIS A 5 -5.888 13.560 17.419 1.00 31.34 C ATOM 69 ND1 HIS A 5 -4.678 12.906 17.471 1.00 71.03 N ATOM 70 CD2 HIS A 5 -6.761 12.775 18.098 1.00 13.01 C ATOM 71 CE1 HIS A 5 -4.811 11.783 18.150 1.00 52.13 C ATOM 72 NE2 HIS A 5 -6.064 11.681 18.541 1.00 22.31 N ATOM 0 H HIS A 5 -8.321 14.994 17.800 1.00 43.14 H new ATOM 0 HA HIS A 5 -5.758 16.030 18.500 1.00 52.52 H new ATOM 0 HB2 HIS A 5 -6.855 14.771 15.964 1.00 22.13 H new ATOM 0 HB3 HIS A 5 -5.163 15.153 16.213 1.00 22.13 H new ATOM 0 HD2 HIS A 5 -7.810 12.975 18.260 1.00 13.01 H new ATOM 0 HE1 HIS A 5 -4.026 11.069 18.351 1.00 52.13 H new ATOM 0 HE2 HIS A 5 -6.453 10.912 19.086 1.00 22.31 H new ATOM 81 N HIS A 6 -5.461 18.204 17.330 1.00 71.50 N ATOM 82 CA HIS A 6 -5.457 19.621 16.935 1.00 75.41 C ATOM 83 C HIS A 6 -4.883 19.849 15.519 1.00 72.25 C ATOM 84 O HIS A 6 -3.899 20.571 15.342 1.00 40.33 O ATOM 85 CB HIS A 6 -4.677 20.444 17.977 1.00 42.51 C ATOM 86 CG HIS A 6 -4.995 21.914 17.959 1.00 70.11 C ATOM 87 ND1 HIS A 6 -4.075 22.892 18.274 1.00 52.34 N ATOM 88 CD2 HIS A 6 -6.154 22.569 17.700 1.00 53.11 C ATOM 89 CE1 HIS A 6 -4.650 24.073 18.212 1.00 63.43 C ATOM 90 NE2 HIS A 6 -5.909 23.909 17.866 1.00 55.04 N ATOM 0 H HIS A 6 -4.657 17.924 17.891 1.00 71.50 H new ATOM 0 HA HIS A 6 -6.494 19.954 16.901 1.00 75.41 H new ATOM 0 HB2 HIS A 6 -4.890 20.049 18.970 1.00 42.51 H new ATOM 0 HB3 HIS A 6 -3.609 20.312 17.804 1.00 42.51 H new ATOM 0 HD2 HIS A 6 -7.094 22.120 17.416 1.00 53.11 H new ATOM 0 HE1 HIS A 6 -4.169 25.019 18.412 1.00 63.43 H new ATOM 0 HE2 HIS A 6 -6.592 24.656 17.741 1.00 55.04 H new ATOM 99 N HIS A 7 -5.498 19.209 14.518 1.00 61.13 N ATOM 100 CA HIS A 7 -5.209 19.473 13.094 1.00 52.33 C ATOM 101 C HIS A 7 -3.764 19.102 12.674 1.00 61.34 C ATOM 102 O HIS A 7 -3.406 19.217 11.501 1.00 43.03 O ATOM 103 CB HIS A 7 -5.499 20.954 12.787 1.00 50.41 C ATOM 104 CG HIS A 7 -5.443 21.308 11.329 1.00 72.23 C ATOM 105 ND1 HIS A 7 -4.613 22.284 10.820 1.00 73.44 N ATOM 106 CD2 HIS A 7 -6.134 20.822 10.271 1.00 43.04 C ATOM 107 CE1 HIS A 7 -4.795 22.381 9.519 1.00 12.31 C ATOM 108 NE2 HIS A 7 -5.709 21.507 9.161 1.00 34.31 N ATOM 0 H HIS A 7 -6.210 18.494 14.666 1.00 61.13 H new ATOM 0 HA HIS A 7 -5.861 18.827 12.507 1.00 52.33 H new ATOM 0 HB2 HIS A 7 -6.487 21.205 13.172 1.00 50.41 H new ATOM 0 HB3 HIS A 7 -4.781 21.572 13.326 1.00 50.41 H new ATOM 0 HD2 HIS A 7 -6.880 20.041 10.296 1.00 43.04 H new ATOM 0 HE1 HIS A 7 -4.280 23.063 8.858 1.00 12.31 H new ATOM 0 HE2 HIS A 7 -6.048 21.361 8.210 1.00 34.31 H new ATOM 117 N HIS A 8 -2.951 18.629 13.615 1.00 25.45 N ATOM 118 CA HIS A 8 -1.531 18.344 13.355 1.00 61.31 C ATOM 119 C HIS A 8 -1.303 16.870 12.956 1.00 60.11 C ATOM 120 O HIS A 8 -2.047 15.982 13.375 1.00 71.33 O ATOM 121 CB HIS A 8 -0.707 18.693 14.609 1.00 31.01 C ATOM 122 CG HIS A 8 0.772 18.451 14.480 1.00 25.04 C ATOM 123 ND1 HIS A 8 1.655 19.409 14.037 1.00 12.32 N ATOM 124 CD2 HIS A 8 1.525 17.357 14.758 1.00 52.41 C ATOM 125 CE1 HIS A 8 2.879 18.920 14.045 1.00 5.35 C ATOM 126 NE2 HIS A 8 2.828 17.680 14.478 1.00 22.41 N ATOM 0 H HIS A 8 -3.247 18.432 14.571 1.00 25.45 H new ATOM 0 HA HIS A 8 -1.207 18.958 12.514 1.00 61.31 H new ATOM 0 HB2 HIS A 8 -0.869 19.743 14.852 1.00 31.01 H new ATOM 0 HB3 HIS A 8 -1.084 18.109 15.449 1.00 31.01 H new ATOM 0 HD2 HIS A 8 1.165 16.409 15.130 1.00 52.41 H new ATOM 0 HE1 HIS A 8 3.772 19.449 13.746 1.00 5.35 H new ATOM 0 HE2 HIS A 8 3.629 17.058 14.588 1.00 22.41 H new ATOM 135 N SER A 9 -0.270 16.631 12.139 1.00 25.51 N ATOM 136 CA SER A 9 0.139 15.270 11.729 1.00 43.24 C ATOM 137 C SER A 9 -0.883 14.604 10.791 1.00 40.12 C ATOM 138 O SER A 9 -1.126 13.397 10.868 1.00 10.24 O ATOM 139 CB SER A 9 0.387 14.376 12.960 1.00 73.42 C ATOM 140 OG SER A 9 0.895 13.103 12.581 1.00 62.34 O ATOM 0 H SER A 9 0.309 17.370 11.741 1.00 25.51 H new ATOM 0 HA SER A 9 1.070 15.381 11.173 1.00 43.24 H new ATOM 0 HB2 SER A 9 1.092 14.866 13.632 1.00 73.42 H new ATOM 0 HB3 SER A 9 -0.544 14.248 13.513 1.00 73.42 H new ATOM 0 HG SER A 9 0.363 12.746 11.839 1.00 62.34 H new ATOM 146 N HIS A 10 -1.450 15.384 9.873 1.00 11.04 N ATOM 147 CA HIS A 10 -2.436 14.854 8.924 1.00 71.31 C ATOM 148 C HIS A 10 -1.773 14.421 7.599 1.00 0.13 C ATOM 149 O HIS A 10 -1.852 15.118 6.589 1.00 63.33 O ATOM 150 CB HIS A 10 -3.564 15.877 8.677 1.00 3.33 C ATOM 151 CG HIS A 10 -3.105 17.229 8.206 1.00 54.12 C ATOM 152 ND1 HIS A 10 -2.790 18.261 9.065 1.00 45.00 N ATOM 153 CD2 HIS A 10 -2.926 17.722 6.958 1.00 14.51 C ATOM 154 CE1 HIS A 10 -2.445 19.323 8.368 1.00 64.43 C ATOM 155 NE2 HIS A 10 -2.516 19.026 7.089 1.00 22.01 N ATOM 0 H HIS A 10 -1.248 16.378 9.763 1.00 11.04 H new ATOM 0 HA HIS A 10 -2.879 13.963 9.369 1.00 71.31 H new ATOM 0 HB2 HIS A 10 -4.251 15.466 7.938 1.00 3.33 H new ATOM 0 HB3 HIS A 10 -4.128 16.003 9.601 1.00 3.33 H new ATOM 0 HD1 HIS A 10 -2.820 18.209 10.083 1.00 45.00 H new ATOM 0 HD2 HIS A 10 -3.078 17.189 6.031 1.00 14.51 H new ATOM 0 HE1 HIS A 10 -2.153 20.278 8.778 1.00 64.43 H new ATOM 164 N MET A 11 -1.106 13.267 7.618 1.00 21.33 N ATOM 165 CA MET A 11 -0.449 12.735 6.416 1.00 55.31 C ATOM 166 C MET A 11 -1.498 12.287 5.387 1.00 31.34 C ATOM 167 O MET A 11 -2.152 11.256 5.552 1.00 21.41 O ATOM 168 CB MET A 11 0.487 11.569 6.785 1.00 23.34 C ATOM 169 CG MET A 11 1.390 11.099 5.644 1.00 15.03 C ATOM 170 SD MET A 11 0.495 10.244 4.330 1.00 74.50 S ATOM 171 CE MET A 11 -0.031 8.759 5.185 1.00 43.12 C ATOM 0 H MET A 11 -1.004 12.682 8.447 1.00 21.33 H new ATOM 0 HA MET A 11 0.153 13.526 5.969 1.00 55.31 H new ATOM 0 HB2 MET A 11 1.112 11.872 7.625 1.00 23.34 H new ATOM 0 HB3 MET A 11 -0.117 10.728 7.124 1.00 23.34 H new ATOM 0 HG2 MET A 11 1.907 11.960 5.221 1.00 15.03 H new ATOM 0 HG3 MET A 11 2.155 10.434 6.046 1.00 15.03 H new ATOM 0 HE1 MET A 11 0.339 7.883 4.653 1.00 43.12 H new ATOM 0 HE2 MET A 11 0.367 8.763 6.200 1.00 43.12 H new ATOM 0 HE3 MET A 11 -1.120 8.727 5.223 1.00 43.12 H new ATOM 181 N LEU A 12 -1.667 13.089 4.338 1.00 72.21 N ATOM 182 CA LEU A 12 -2.690 12.834 3.319 1.00 24.42 C ATOM 183 C LEU A 12 -2.128 12.985 1.896 1.00 42.31 C ATOM 184 O LEU A 12 -1.092 13.611 1.681 1.00 73.30 O ATOM 185 CB LEU A 12 -3.878 13.794 3.508 1.00 74.11 C ATOM 186 CG LEU A 12 -4.613 13.675 4.855 1.00 1.11 C ATOM 187 CD1 LEU A 12 -5.633 14.798 5.021 1.00 41.41 C ATOM 188 CD2 LEU A 12 -5.290 12.311 4.977 1.00 61.01 C ATOM 0 H LEU A 12 -1.108 13.925 4.169 1.00 72.21 H new ATOM 0 HA LEU A 12 -3.025 11.804 3.443 1.00 24.42 H new ATOM 0 HB2 LEU A 12 -3.518 14.817 3.399 1.00 74.11 H new ATOM 0 HB3 LEU A 12 -4.595 13.621 2.705 1.00 74.11 H new ATOM 0 HG LEU A 12 -3.876 13.768 5.653 1.00 1.11 H new ATOM 0 HD11 LEU A 12 -6.139 14.691 5.981 1.00 41.41 H new ATOM 0 HD12 LEU A 12 -5.123 15.761 4.985 1.00 41.41 H new ATOM 0 HD13 LEU A 12 -6.367 14.745 4.216 1.00 41.41 H new ATOM 0 HD21 LEU A 12 -5.805 12.245 5.936 1.00 61.01 H new ATOM 0 HD22 LEU A 12 -6.011 12.189 4.169 1.00 61.01 H new ATOM 0 HD23 LEU A 12 -4.538 11.525 4.914 1.00 61.01 H new ATOM 200 N THR A 13 -2.855 12.435 0.928 1.00 13.23 N ATOM 201 CA THR A 13 -2.443 12.447 -0.488 1.00 72.12 C ATOM 202 C THR A 13 -2.887 13.724 -1.213 1.00 54.03 C ATOM 203 O THR A 13 -2.999 13.724 -2.437 1.00 24.23 O ATOM 204 CB THR A 13 -3.079 11.257 -1.239 1.00 14.34 C ATOM 205 OG1 THR A 13 -4.512 11.362 -1.172 1.00 31.22 O ATOM 206 CG2 THR A 13 -2.639 9.931 -0.645 1.00 11.34 C ATOM 0 H THR A 13 -3.746 11.967 1.094 1.00 13.23 H new ATOM 0 HA THR A 13 -1.355 12.387 -0.489 1.00 72.12 H new ATOM 0 HB THR A 13 -2.748 11.291 -2.277 1.00 14.34 H new ATOM 0 HG1 THR A 13 -4.916 10.738 -1.811 1.00 31.22 H new ATOM 0 HG21 THR A 13 -3.104 9.113 -1.196 1.00 11.34 H new ATOM 0 HG22 THR A 13 -1.555 9.844 -0.713 1.00 11.34 H new ATOM 0 HG23 THR A 13 -2.942 9.882 0.401 1.00 11.34 H new ATOM 214 N LYS A 14 -3.155 14.799 -0.464 1.00 51.34 N ATOM 215 CA LYS A 14 -3.774 16.022 -1.021 1.00 52.02 C ATOM 216 C LYS A 14 -5.269 15.797 -1.336 1.00 3.14 C ATOM 217 O LYS A 14 -6.076 16.726 -1.253 1.00 43.34 O ATOM 218 CB LYS A 14 -3.018 16.509 -2.279 1.00 70.02 C ATOM 219 CG LYS A 14 -3.623 17.747 -2.947 1.00 74.14 C ATOM 220 CD LYS A 14 -3.567 18.977 -2.043 1.00 23.12 C ATOM 221 CE LYS A 14 -2.135 19.364 -1.699 1.00 22.44 C ATOM 222 NZ LYS A 14 -2.084 20.552 -0.811 1.00 20.35 N ATOM 0 H LYS A 14 -2.954 14.854 0.535 1.00 51.34 H new ATOM 0 HA LYS A 14 -3.702 16.801 -0.262 1.00 52.02 H new ATOM 0 HB2 LYS A 14 -1.986 16.728 -2.005 1.00 70.02 H new ATOM 0 HB3 LYS A 14 -2.989 15.698 -3.006 1.00 70.02 H new ATOM 0 HG2 LYS A 14 -3.089 17.955 -3.874 1.00 74.14 H new ATOM 0 HG3 LYS A 14 -4.659 17.543 -3.216 1.00 74.14 H new ATOM 0 HD2 LYS A 14 -4.060 19.814 -2.537 1.00 23.12 H new ATOM 0 HD3 LYS A 14 -4.120 18.778 -1.125 1.00 23.12 H new ATOM 0 HE2 LYS A 14 -1.638 18.525 -1.212 1.00 22.44 H new ATOM 0 HE3 LYS A 14 -1.584 19.572 -2.616 1.00 22.44 H new ATOM 0 HZ1 LYS A 14 -1.093 20.785 -0.599 1.00 20.35 H new ATOM 0 HZ2 LYS A 14 -2.535 21.360 -1.286 1.00 20.35 H new ATOM 0 HZ3 LYS A 14 -2.588 20.345 0.075 1.00 20.35 H new ATOM 236 N HIS A 15 -5.635 14.558 -1.683 1.00 31.11 N ATOM 237 CA HIS A 15 -7.031 14.198 -1.953 1.00 45.34 C ATOM 238 C HIS A 15 -7.838 14.057 -0.646 1.00 42.30 C ATOM 239 O HIS A 15 -9.065 13.939 -0.671 1.00 62.05 O ATOM 240 CB HIS A 15 -7.092 12.891 -2.753 1.00 63.23 C ATOM 241 CG HIS A 15 -6.294 12.928 -4.024 1.00 21.52 C ATOM 242 ND1 HIS A 15 -6.794 13.401 -5.219 1.00 1.04 N ATOM 243 CD2 HIS A 15 -5.016 12.558 -4.281 1.00 74.52 C ATOM 244 CE1 HIS A 15 -5.865 13.318 -6.149 1.00 5.12 C ATOM 245 NE2 HIS A 15 -4.779 12.812 -5.607 1.00 22.21 N ATOM 0 H HIS A 15 -4.979 13.784 -1.784 1.00 31.11 H new ATOM 0 HA HIS A 15 -7.478 15.001 -2.539 1.00 45.34 H new ATOM 0 HB2 HIS A 15 -6.728 12.075 -2.129 1.00 63.23 H new ATOM 0 HB3 HIS A 15 -8.132 12.669 -2.993 1.00 63.23 H new ATOM 0 HD2 HIS A 15 -4.315 12.141 -3.573 1.00 74.52 H new ATOM 0 HE1 HIS A 15 -5.976 13.615 -7.181 1.00 5.12 H new ATOM 0 HE2 HIS A 15 -3.901 12.637 -6.095 1.00 22.21 H new ATOM 254 N GLY A 16 -7.131 14.024 0.487 1.00 11.12 N ATOM 255 CA GLY A 16 -7.779 14.040 1.799 1.00 13.34 C ATOM 256 C GLY A 16 -8.353 12.697 2.257 1.00 32.54 C ATOM 257 O GLY A 16 -8.330 12.385 3.446 1.00 14.12 O ATOM 0 H GLY A 16 -6.112 13.986 0.521 1.00 11.12 H new ATOM 0 HA2 GLY A 16 -7.055 14.380 2.540 1.00 13.34 H new ATOM 0 HA3 GLY A 16 -8.584 14.774 1.780 1.00 13.34 H new ATOM 261 N LYS A 17 -8.850 11.892 1.321 1.00 12.31 N ATOM 262 CA LYS A 17 -9.579 10.657 1.658 1.00 62.13 C ATOM 263 C LYS A 17 -8.658 9.472 2.031 1.00 32.44 C ATOM 264 O LYS A 17 -9.100 8.319 2.003 1.00 72.23 O ATOM 265 CB LYS A 17 -10.492 10.271 0.485 1.00 42.11 C ATOM 266 CG LYS A 17 -11.527 11.339 0.139 1.00 41.32 C ATOM 267 CD LYS A 17 -12.416 11.675 1.337 1.00 64.10 C ATOM 268 CE LYS A 17 -13.445 12.750 1.001 1.00 25.01 C ATOM 269 NZ LYS A 17 -14.406 12.302 -0.039 1.00 20.42 N ATOM 0 H LYS A 17 -8.765 12.067 0.320 1.00 12.31 H new ATOM 0 HA LYS A 17 -10.168 10.870 2.550 1.00 62.13 H new ATOM 0 HB2 LYS A 17 -9.877 10.074 -0.393 1.00 42.11 H new ATOM 0 HB3 LYS A 17 -11.008 9.342 0.727 1.00 42.11 H new ATOM 0 HG2 LYS A 17 -11.019 12.241 -0.201 1.00 41.32 H new ATOM 0 HG3 LYS A 17 -12.147 10.991 -0.688 1.00 41.32 H new ATOM 0 HD2 LYS A 17 -12.929 10.774 1.672 1.00 64.10 H new ATOM 0 HD3 LYS A 17 -11.795 12.014 2.166 1.00 64.10 H new ATOM 0 HE2 LYS A 17 -13.991 13.023 1.904 1.00 25.01 H new ATOM 0 HE3 LYS A 17 -12.931 13.647 0.656 1.00 25.01 H new ATOM 0 HZ1 LYS A 17 -15.173 12.999 -0.126 1.00 20.42 H new ATOM 0 HZ2 LYS A 17 -13.914 12.213 -0.951 1.00 20.42 H new ATOM 0 HZ3 LYS A 17 -14.805 11.380 0.231 1.00 20.42 H new ATOM 283 N ASN A 18 -7.408 9.764 2.415 1.00 55.23 N ATOM 284 CA ASN A 18 -6.432 8.732 2.834 1.00 75.03 C ATOM 285 C ASN A 18 -5.974 7.836 1.661 1.00 34.54 C ATOM 286 O ASN A 18 -6.796 7.325 0.902 1.00 53.12 O ATOM 287 CB ASN A 18 -7.015 7.868 3.968 1.00 30.14 C ATOM 288 CG ASN A 18 -6.090 6.737 4.386 1.00 3.55 C ATOM 289 OD1 ASN A 18 -6.148 5.639 3.845 1.00 5.54 O ATOM 290 ND2 ASN A 18 -5.223 6.997 5.343 1.00 43.22 N ATOM 0 H ASN A 18 -7.040 10.715 2.446 1.00 55.23 H new ATOM 0 HA ASN A 18 -5.550 9.260 3.198 1.00 75.03 H new ATOM 0 HB2 ASN A 18 -7.220 8.501 4.831 1.00 30.14 H new ATOM 0 HB3 ASN A 18 -7.969 7.450 3.646 1.00 30.14 H new ATOM 0 HD21 ASN A 18 -4.574 6.274 5.654 1.00 43.22 H new ATOM 0 HD22 ASN A 18 -5.200 7.922 5.773 1.00 43.22 H new ATOM 297 N PRO A 19 -4.644 7.610 1.517 1.00 34.35 N ATOM 298 CA PRO A 19 -4.086 6.803 0.411 1.00 40.21 C ATOM 299 C PRO A 19 -4.713 5.403 0.279 1.00 13.54 C ATOM 300 O PRO A 19 -5.023 4.964 -0.826 1.00 75.13 O ATOM 301 CB PRO A 19 -2.585 6.690 0.752 1.00 72.12 C ATOM 302 CG PRO A 19 -2.460 7.139 2.172 1.00 42.25 C ATOM 303 CD PRO A 19 -3.575 8.122 2.396 1.00 25.43 C ATOM 0 HA PRO A 19 -4.290 7.278 -0.549 1.00 40.21 H new ATOM 0 HB2 PRO A 19 -2.232 5.666 0.632 1.00 72.12 H new ATOM 0 HB3 PRO A 19 -1.985 7.313 0.090 1.00 72.12 H new ATOM 0 HG2 PRO A 19 -2.541 6.295 2.857 1.00 42.25 H new ATOM 0 HG3 PRO A 19 -1.490 7.602 2.351 1.00 42.25 H new ATOM 0 HD2 PRO A 19 -3.888 8.148 3.440 1.00 25.43 H new ATOM 0 HD3 PRO A 19 -3.280 9.136 2.126 1.00 25.43 H new ATOM 311 N VAL A 20 -4.900 4.703 1.403 1.00 45.54 N ATOM 312 CA VAL A 20 -5.434 3.332 1.377 1.00 63.53 C ATOM 313 C VAL A 20 -6.861 3.300 0.814 1.00 21.35 C ATOM 314 O VAL A 20 -7.130 2.657 -0.199 1.00 33.11 O ATOM 315 CB VAL A 20 -5.444 2.692 2.792 1.00 30.01 C ATOM 316 CG1 VAL A 20 -5.908 1.235 2.733 1.00 33.45 C ATOM 317 CG2 VAL A 20 -4.072 2.797 3.449 1.00 44.20 C ATOM 0 H VAL A 20 -4.692 5.057 2.337 1.00 45.54 H new ATOM 0 HA VAL A 20 -4.773 2.757 0.729 1.00 63.53 H new ATOM 0 HB VAL A 20 -6.155 3.248 3.404 1.00 30.01 H new ATOM 0 HG11 VAL A 20 -5.905 0.811 3.737 1.00 33.45 H new ATOM 0 HG12 VAL A 20 -6.917 1.191 2.323 1.00 33.45 H new ATOM 0 HG13 VAL A 20 -5.232 0.664 2.097 1.00 33.45 H new ATOM 0 HG21 VAL A 20 -4.107 2.341 4.439 1.00 44.20 H new ATOM 0 HG22 VAL A 20 -3.335 2.278 2.836 1.00 44.20 H new ATOM 0 HG23 VAL A 20 -3.793 3.846 3.542 1.00 44.20 H new ATOM 327 N MET A 21 -7.766 4.026 1.467 1.00 55.20 N ATOM 328 CA MET A 21 -9.177 4.040 1.068 1.00 0.11 C ATOM 329 C MET A 21 -9.371 4.695 -0.309 1.00 20.13 C ATOM 330 O MET A 21 -10.331 4.385 -1.014 1.00 60.12 O ATOM 331 CB MET A 21 -10.023 4.752 2.134 1.00 0.53 C ATOM 332 CG MET A 21 -10.000 4.053 3.489 1.00 73.12 C ATOM 333 SD MET A 21 -11.020 4.876 4.729 1.00 23.12 S ATOM 334 CE MET A 21 -10.200 6.466 4.866 1.00 30.24 C ATOM 0 H MET A 21 -7.551 4.612 2.274 1.00 55.20 H new ATOM 0 HA MET A 21 -9.512 3.006 0.985 1.00 0.11 H new ATOM 0 HB2 MET A 21 -9.660 5.773 2.254 1.00 0.53 H new ATOM 0 HB3 MET A 21 -11.053 4.819 1.785 1.00 0.53 H new ATOM 0 HG2 MET A 21 -10.345 3.026 3.367 1.00 73.12 H new ATOM 0 HG3 MET A 21 -8.972 4.003 3.848 1.00 73.12 H new ATOM 0 HE1 MET A 21 -10.655 7.042 5.672 1.00 30.24 H new ATOM 0 HE2 MET A 21 -9.143 6.313 5.081 1.00 30.24 H new ATOM 0 HE3 MET A 21 -10.304 7.011 3.928 1.00 30.24 H new ATOM 344 N GLU A 22 -8.465 5.599 -0.692 1.00 74.44 N ATOM 345 CA GLU A 22 -8.488 6.174 -2.040 1.00 55.23 C ATOM 346 C GLU A 22 -8.070 5.130 -3.084 1.00 32.10 C ATOM 347 O GLU A 22 -8.802 4.858 -4.033 1.00 52.42 O ATOM 348 CB GLU A 22 -7.559 7.390 -2.156 1.00 1.51 C ATOM 349 CG GLU A 22 -7.546 7.984 -3.566 1.00 14.40 C ATOM 350 CD GLU A 22 -6.535 9.103 -3.767 1.00 63.11 C ATOM 351 OE1 GLU A 22 -6.130 9.744 -2.777 1.00 33.01 O ATOM 352 OE2 GLU A 22 -6.158 9.352 -4.935 1.00 43.23 O ATOM 0 H GLU A 22 -7.714 5.946 -0.095 1.00 74.44 H new ATOM 0 HA GLU A 22 -9.512 6.495 -2.228 1.00 55.23 H new ATOM 0 HB2 GLU A 22 -7.875 8.154 -1.446 1.00 1.51 H new ATOM 0 HB3 GLU A 22 -6.546 7.097 -1.879 1.00 1.51 H new ATOM 0 HG2 GLU A 22 -7.336 7.188 -4.280 1.00 14.40 H new ATOM 0 HG3 GLU A 22 -8.541 8.364 -3.796 1.00 14.40 H new ATOM 359 N LEU A 23 -6.881 4.554 -2.897 1.00 3.51 N ATOM 360 CA LEU A 23 -6.343 3.544 -3.816 1.00 72.24 C ATOM 361 C LEU A 23 -7.325 2.375 -4.001 1.00 2.23 C ATOM 362 O LEU A 23 -7.464 1.838 -5.100 1.00 13.20 O ATOM 363 CB LEU A 23 -4.991 3.027 -3.301 1.00 45.11 C ATOM 364 CG LEU A 23 -4.251 2.065 -4.245 1.00 15.52 C ATOM 365 CD1 LEU A 23 -3.864 2.763 -5.545 1.00 72.31 C ATOM 366 CD2 LEU A 23 -3.021 1.478 -3.556 1.00 15.12 C ATOM 0 H LEU A 23 -6.267 4.771 -2.112 1.00 3.51 H new ATOM 0 HA LEU A 23 -6.198 4.016 -4.788 1.00 72.24 H new ATOM 0 HB2 LEU A 23 -4.346 3.883 -3.102 1.00 45.11 H new ATOM 0 HB3 LEU A 23 -5.153 2.522 -2.349 1.00 45.11 H new ATOM 0 HG LEU A 23 -4.927 1.247 -4.494 1.00 15.52 H new ATOM 0 HD11 LEU A 23 -3.342 2.060 -6.194 1.00 72.31 H new ATOM 0 HD12 LEU A 23 -4.763 3.122 -6.047 1.00 72.31 H new ATOM 0 HD13 LEU A 23 -3.210 3.607 -5.324 1.00 72.31 H new ATOM 0 HD21 LEU A 23 -2.510 0.800 -4.239 1.00 15.12 H new ATOM 0 HD22 LEU A 23 -2.344 2.284 -3.271 1.00 15.12 H new ATOM 0 HD23 LEU A 23 -3.329 0.931 -2.665 1.00 15.12 H new ATOM 378 N ASN A 24 -8.018 2.004 -2.922 1.00 52.34 N ATOM 379 CA ASN A 24 -9.049 0.957 -2.975 1.00 62.01 C ATOM 380 C ASN A 24 -10.181 1.307 -3.966 1.00 44.40 C ATOM 381 O ASN A 24 -10.886 0.425 -4.458 1.00 44.31 O ATOM 382 CB ASN A 24 -9.641 0.724 -1.577 1.00 62.12 C ATOM 383 CG ASN A 24 -8.626 0.177 -0.588 1.00 33.53 C ATOM 384 OD1 ASN A 24 -7.639 -0.441 -0.965 1.00 24.11 O ATOM 385 ND2 ASN A 24 -8.877 0.375 0.689 1.00 21.11 N ATOM 0 H ASN A 24 -7.886 2.413 -1.997 1.00 52.34 H new ATOM 0 HA ASN A 24 -8.566 0.046 -3.328 1.00 62.01 H new ATOM 0 HB2 ASN A 24 -10.041 1.664 -1.196 1.00 62.12 H new ATOM 0 HB3 ASN A 24 -10.477 0.029 -1.653 1.00 62.12 H new ATOM 0 HD21 ASN A 24 -8.240 0.009 1.397 1.00 21.11 H new ATOM 0 HD22 ASN A 24 -9.708 0.894 0.971 1.00 21.11 H new ATOM 392 N GLU A 25 -10.365 2.597 -4.233 1.00 11.00 N ATOM 393 CA GLU A 25 -11.358 3.057 -5.213 1.00 20.35 C ATOM 394 C GLU A 25 -10.703 3.350 -6.572 1.00 74.42 C ATOM 395 O GLU A 25 -11.330 3.206 -7.622 1.00 52.52 O ATOM 396 CB GLU A 25 -12.065 4.313 -4.696 1.00 32.11 C ATOM 397 CG GLU A 25 -12.765 4.110 -3.360 1.00 4.30 C ATOM 398 CD GLU A 25 -13.555 5.333 -2.927 1.00 12.13 C ATOM 399 OE1 GLU A 25 -12.950 6.289 -2.407 1.00 13.40 O ATOM 400 OE2 GLU A 25 -14.792 5.342 -3.109 1.00 13.42 O ATOM 0 H GLU A 25 -9.840 3.348 -3.785 1.00 11.00 H new ATOM 0 HA GLU A 25 -12.089 2.260 -5.350 1.00 20.35 H new ATOM 0 HB2 GLU A 25 -11.335 5.116 -4.596 1.00 32.11 H new ATOM 0 HB3 GLU A 25 -12.797 4.638 -5.435 1.00 32.11 H new ATOM 0 HG2 GLU A 25 -13.436 3.254 -3.431 1.00 4.30 H new ATOM 0 HG3 GLU A 25 -12.024 3.871 -2.597 1.00 4.30 H new ATOM 407 N LYS A 26 -9.439 3.772 -6.541 1.00 62.14 N ATOM 408 CA LYS A 26 -8.668 4.027 -7.768 1.00 30.40 C ATOM 409 C LYS A 26 -8.346 2.706 -8.488 1.00 34.01 C ATOM 410 O LYS A 26 -8.130 2.675 -9.699 1.00 54.40 O ATOM 411 CB LYS A 26 -7.377 4.796 -7.430 1.00 13.52 C ATOM 412 CG LYS A 26 -7.621 6.087 -6.648 1.00 60.10 C ATOM 413 CD LYS A 26 -8.406 7.124 -7.456 1.00 15.04 C ATOM 414 CE LYS A 26 -7.496 7.970 -8.342 1.00 51.44 C ATOM 415 NZ LYS A 26 -6.705 8.949 -7.544 1.00 44.44 N ATOM 0 H LYS A 26 -8.922 3.946 -5.679 1.00 62.14 H new ATOM 0 HA LYS A 26 -9.269 4.639 -8.440 1.00 30.40 H new ATOM 0 HB2 LYS A 26 -6.719 4.148 -6.850 1.00 13.52 H new ATOM 0 HB3 LYS A 26 -6.853 5.035 -8.356 1.00 13.52 H new ATOM 0 HG2 LYS A 26 -8.166 5.856 -5.733 1.00 60.10 H new ATOM 0 HG3 LYS A 26 -6.663 6.513 -6.349 1.00 60.10 H new ATOM 0 HD2 LYS A 26 -9.145 6.616 -8.076 1.00 15.04 H new ATOM 0 HD3 LYS A 26 -8.954 7.774 -6.775 1.00 15.04 H new ATOM 0 HE2 LYS A 26 -6.818 7.319 -8.895 1.00 51.44 H new ATOM 0 HE3 LYS A 26 -8.098 8.503 -9.078 1.00 51.44 H new ATOM 0 HZ1 LYS A 26 -7.060 9.910 -7.723 1.00 44.44 H new ATOM 0 HZ2 LYS A 26 -6.798 8.728 -6.532 1.00 44.44 H new ATOM 0 HZ3 LYS A 26 -5.704 8.893 -7.820 1.00 44.44 H new ATOM 429 N ARG A 27 -8.310 1.623 -7.715 1.00 32.31 N ATOM 430 CA ARG A 27 -8.181 0.260 -8.246 1.00 50.21 C ATOM 431 C ARG A 27 -9.045 -0.705 -7.423 1.00 43.31 C ATOM 432 O ARG A 27 -8.841 -0.867 -6.221 1.00 12.32 O ATOM 433 CB ARG A 27 -6.715 -0.196 -8.242 1.00 41.11 C ATOM 434 CG ARG A 27 -5.871 0.440 -9.342 1.00 53.54 C ATOM 435 CD ARG A 27 -6.354 0.030 -10.730 1.00 51.20 C ATOM 436 NE ARG A 27 -5.604 0.690 -11.797 1.00 1.32 N ATOM 437 CZ ARG A 27 -5.684 0.360 -13.059 1.00 41.11 C ATOM 438 NH1 ARG A 27 -6.445 -0.616 -13.439 1.00 54.33 N ATOM 439 NH2 ARG A 27 -5.002 1.011 -13.941 1.00 2.25 N ATOM 0 H ARG A 27 -8.369 1.662 -6.697 1.00 32.31 H new ATOM 0 HA ARG A 27 -8.530 0.257 -9.279 1.00 50.21 H new ATOM 0 HB2 ARG A 27 -6.273 0.041 -7.274 1.00 41.11 H new ATOM 0 HB3 ARG A 27 -6.681 -1.280 -8.351 1.00 41.11 H new ATOM 0 HG2 ARG A 27 -5.909 1.525 -9.249 1.00 53.54 H new ATOM 0 HG3 ARG A 27 -4.829 0.146 -9.217 1.00 53.54 H new ATOM 0 HD2 ARG A 27 -6.262 -1.051 -10.839 1.00 51.20 H new ATOM 0 HD3 ARG A 27 -7.412 0.272 -10.830 1.00 51.20 H new ATOM 0 HE ARG A 27 -4.980 1.455 -11.541 1.00 1.32 H new ATOM 0 HH11 ARG A 27 -6.990 -1.136 -12.751 1.00 54.33 H new ATOM 0 HH12 ARG A 27 -6.500 -0.865 -14.427 1.00 54.33 H new ATOM 0 HH21 ARG A 27 -4.401 1.783 -13.653 1.00 2.25 H new ATOM 0 HH22 ARG A 27 -5.064 0.753 -14.926 1.00 2.25 H new ATOM 453 N ARG A 28 -10.006 -1.349 -8.078 1.00 73.15 N ATOM 454 CA ARG A 28 -11.022 -2.146 -7.377 1.00 75.44 C ATOM 455 C ARG A 28 -10.502 -3.530 -6.940 1.00 61.14 C ATOM 456 O ARG A 28 -9.962 -4.289 -7.748 1.00 11.21 O ATOM 457 CB ARG A 28 -12.255 -2.317 -8.276 1.00 20.05 C ATOM 458 CG ARG A 28 -12.770 -1.007 -8.874 1.00 1.14 C ATOM 459 CD ARG A 28 -13.189 -0.003 -7.801 1.00 15.14 C ATOM 460 NE ARG A 28 -14.282 -0.510 -6.975 1.00 21.42 N ATOM 461 CZ ARG A 28 -15.394 0.132 -6.747 1.00 64.15 C ATOM 462 NH1 ARG A 28 -15.593 1.315 -7.240 1.00 73.34 N ATOM 463 NH2 ARG A 28 -16.306 -0.418 -6.021 1.00 2.31 N ATOM 0 H ARG A 28 -10.107 -1.338 -9.093 1.00 73.15 H new ATOM 0 HA ARG A 28 -11.285 -1.602 -6.470 1.00 75.44 H new ATOM 0 HB2 ARG A 28 -12.010 -3.004 -9.086 1.00 20.05 H new ATOM 0 HB3 ARG A 28 -13.054 -2.780 -7.697 1.00 20.05 H new ATOM 0 HG2 ARG A 28 -11.993 -0.565 -9.498 1.00 1.14 H new ATOM 0 HG3 ARG A 28 -13.620 -1.216 -9.524 1.00 1.14 H new ATOM 0 HD2 ARG A 28 -12.333 0.229 -7.167 1.00 15.14 H new ATOM 0 HD3 ARG A 28 -13.496 0.929 -8.276 1.00 15.14 H new ATOM 0 HE ARG A 28 -14.168 -1.429 -6.547 1.00 21.42 H new ATOM 0 HH11 ARG A 28 -14.875 1.755 -7.815 1.00 73.34 H new ATOM 0 HH12 ARG A 28 -16.468 1.805 -7.053 1.00 73.34 H new ATOM 0 HH21 ARG A 28 -16.155 -1.348 -5.630 1.00 2.31 H new ATOM 0 HH22 ARG A 28 -17.179 0.077 -5.837 1.00 2.31 H new ATOM 477 N GLY A 29 -10.694 -3.852 -5.656 1.00 62.45 N ATOM 478 CA GLY A 29 -10.342 -5.174 -5.131 1.00 24.30 C ATOM 479 C GLY A 29 -8.840 -5.420 -5.016 1.00 43.20 C ATOM 480 O GLY A 29 -8.301 -6.334 -5.644 1.00 2.34 O ATOM 0 H GLY A 29 -11.090 -3.216 -4.964 1.00 62.45 H new ATOM 0 HA2 GLY A 29 -10.795 -5.295 -4.147 1.00 24.30 H new ATOM 0 HA3 GLY A 29 -10.776 -5.937 -5.777 1.00 24.30 H new ATOM 484 N LEU A 30 -8.162 -4.619 -4.198 1.00 10.42 N ATOM 485 CA LEU A 30 -6.712 -4.766 -4.001 1.00 31.01 C ATOM 486 C LEU A 30 -6.367 -5.683 -2.812 1.00 3.02 C ATOM 487 O LEU A 30 -7.220 -6.004 -1.981 1.00 61.42 O ATOM 488 CB LEU A 30 -6.065 -3.392 -3.805 1.00 73.31 C ATOM 489 CG LEU A 30 -6.243 -2.422 -4.981 1.00 25.03 C ATOM 490 CD1 LEU A 30 -5.517 -1.111 -4.713 1.00 34.13 C ATOM 491 CD2 LEU A 30 -5.759 -3.057 -6.284 1.00 2.01 C ATOM 0 H LEU A 30 -8.586 -3.863 -3.660 1.00 10.42 H new ATOM 0 HA LEU A 30 -6.314 -5.238 -4.899 1.00 31.01 H new ATOM 0 HB2 LEU A 30 -6.483 -2.934 -2.908 1.00 73.31 H new ATOM 0 HB3 LEU A 30 -4.999 -3.531 -3.625 1.00 73.31 H new ATOM 0 HG LEU A 30 -7.306 -2.204 -5.086 1.00 25.03 H new ATOM 0 HD11 LEU A 30 -5.656 -0.438 -5.559 1.00 34.13 H new ATOM 0 HD12 LEU A 30 -5.921 -0.649 -3.812 1.00 34.13 H new ATOM 0 HD13 LEU A 30 -4.453 -1.306 -4.576 1.00 34.13 H new ATOM 0 HD21 LEU A 30 -5.894 -2.352 -7.104 1.00 2.01 H new ATOM 0 HD22 LEU A 30 -4.703 -3.311 -6.195 1.00 2.01 H new ATOM 0 HD23 LEU A 30 -6.334 -3.961 -6.484 1.00 2.01 H new ATOM 503 N LYS A 31 -5.100 -6.095 -2.737 1.00 22.11 N ATOM 504 CA LYS A 31 -4.634 -7.012 -1.688 1.00 35.44 C ATOM 505 C LYS A 31 -3.442 -6.436 -0.904 1.00 30.14 C ATOM 506 O LYS A 31 -2.344 -6.289 -1.440 1.00 60.43 O ATOM 507 CB LYS A 31 -4.263 -8.369 -2.308 1.00 53.32 C ATOM 508 CG LYS A 31 -3.651 -9.366 -1.322 1.00 61.25 C ATOM 509 CD LYS A 31 -3.573 -10.778 -1.907 1.00 41.33 C ATOM 510 CE LYS A 31 -2.713 -10.839 -3.168 1.00 72.13 C ATOM 511 NZ LYS A 31 -1.277 -10.574 -2.891 1.00 20.21 N ATOM 0 H LYS A 31 -4.373 -5.808 -3.392 1.00 22.11 H new ATOM 0 HA LYS A 31 -5.450 -7.147 -0.978 1.00 35.44 H new ATOM 0 HB2 LYS A 31 -5.158 -8.812 -2.746 1.00 53.32 H new ATOM 0 HB3 LYS A 31 -3.558 -8.202 -3.123 1.00 53.32 H new ATOM 0 HG2 LYS A 31 -2.651 -9.033 -1.044 1.00 61.25 H new ATOM 0 HG3 LYS A 31 -4.246 -9.384 -0.409 1.00 61.25 H new ATOM 0 HD2 LYS A 31 -3.164 -11.456 -1.158 1.00 41.33 H new ATOM 0 HD3 LYS A 31 -4.579 -11.128 -2.139 1.00 41.33 H new ATOM 0 HE2 LYS A 31 -2.816 -11.822 -3.627 1.00 72.13 H new ATOM 0 HE3 LYS A 31 -3.081 -10.110 -3.890 1.00 72.13 H new ATOM 0 HZ1 LYS A 31 -0.946 -9.793 -3.493 1.00 20.21 H new ATOM 0 HZ2 LYS A 31 -1.159 -10.314 -1.891 1.00 20.21 H new ATOM 0 HZ3 LYS A 31 -0.721 -11.429 -3.095 1.00 20.21 H new ATOM 525 N TYR A 32 -3.681 -6.103 0.365 1.00 25.41 N ATOM 526 CA TYR A 32 -2.626 -5.613 1.265 1.00 23.24 C ATOM 527 C TYR A 32 -2.137 -6.740 2.199 1.00 73.21 C ATOM 528 O TYR A 32 -2.911 -7.284 2.990 1.00 73.43 O ATOM 529 CB TYR A 32 -3.147 -4.436 2.110 1.00 41.42 C ATOM 530 CG TYR A 32 -3.578 -3.214 1.307 1.00 35.40 C ATOM 531 CD1 TYR A 32 -4.728 -3.242 0.523 1.00 70.12 C ATOM 532 CD2 TYR A 32 -2.842 -2.033 1.346 1.00 3.51 C ATOM 533 CE1 TYR A 32 -5.127 -2.134 -0.202 1.00 33.15 C ATOM 534 CE2 TYR A 32 -3.237 -0.921 0.625 1.00 15.53 C ATOM 535 CZ TYR A 32 -4.380 -0.977 -0.145 1.00 20.14 C ATOM 536 OH TYR A 32 -4.774 0.128 -0.866 1.00 63.21 O ATOM 0 H TYR A 32 -4.602 -6.163 0.799 1.00 25.41 H new ATOM 0 HA TYR A 32 -1.791 -5.275 0.652 1.00 23.24 H new ATOM 0 HB2 TYR A 32 -3.994 -4.780 2.704 1.00 41.42 H new ATOM 0 HB3 TYR A 32 -2.367 -4.137 2.810 1.00 41.42 H new ATOM 0 HD1 TYR A 32 -5.319 -4.145 0.480 1.00 70.12 H new ATOM 0 HD2 TYR A 32 -1.948 -1.984 1.949 1.00 3.51 H new ATOM 0 HE1 TYR A 32 -6.019 -2.175 -0.810 1.00 33.15 H new ATOM 0 HE2 TYR A 32 -2.653 -0.013 0.665 1.00 15.53 H new ATOM 0 HH TYR A 32 -5.745 0.103 -0.998 1.00 63.21 H new ATOM 546 N GLU A 33 -0.854 -7.082 2.106 1.00 24.03 N ATOM 547 CA GLU A 33 -0.264 -8.157 2.922 1.00 50.33 C ATOM 548 C GLU A 33 0.952 -7.655 3.726 1.00 71.43 C ATOM 549 O GLU A 33 1.520 -6.606 3.424 1.00 73.22 O ATOM 550 CB GLU A 33 0.138 -9.324 2.011 1.00 33.34 C ATOM 551 CG GLU A 33 1.162 -8.944 0.946 1.00 50.11 C ATOM 552 CD GLU A 33 1.183 -9.915 -0.225 1.00 51.21 C ATOM 553 OE1 GLU A 33 0.422 -9.701 -1.192 1.00 20.43 O ATOM 554 OE2 GLU A 33 1.954 -10.898 -0.187 1.00 64.30 O ATOM 0 H GLU A 33 -0.194 -6.631 1.472 1.00 24.03 H new ATOM 0 HA GLU A 33 -1.010 -8.495 3.641 1.00 50.33 H new ATOM 0 HB2 GLU A 33 0.545 -10.128 2.624 1.00 33.34 H new ATOM 0 HB3 GLU A 33 -0.754 -9.716 1.522 1.00 33.34 H new ATOM 0 HG2 GLU A 33 0.941 -7.942 0.577 1.00 50.11 H new ATOM 0 HG3 GLU A 33 2.153 -8.906 1.398 1.00 50.11 H new ATOM 561 N LEU A 34 1.345 -8.416 4.745 1.00 54.34 N ATOM 562 CA LEU A 34 2.444 -8.018 5.641 1.00 22.33 C ATOM 563 C LEU A 34 3.799 -8.561 5.156 1.00 41.34 C ATOM 564 O LEU A 34 3.914 -9.727 4.766 1.00 45.23 O ATOM 565 CB LEU A 34 2.173 -8.515 7.072 1.00 70.13 C ATOM 566 CG LEU A 34 3.265 -8.185 8.109 1.00 11.10 C ATOM 567 CD1 LEU A 34 3.335 -6.682 8.375 1.00 41.21 C ATOM 568 CD2 LEU A 34 3.025 -8.951 9.407 1.00 61.45 C ATOM 0 H LEU A 34 0.922 -9.315 4.976 1.00 54.34 H new ATOM 0 HA LEU A 34 2.492 -6.929 5.634 1.00 22.33 H new ATOM 0 HB2 LEU A 34 1.231 -8.087 7.414 1.00 70.13 H new ATOM 0 HB3 LEU A 34 2.040 -9.596 7.043 1.00 70.13 H new ATOM 0 HG LEU A 34 4.224 -8.498 7.697 1.00 11.10 H new ATOM 0 HD11 LEU A 34 4.114 -6.478 9.110 1.00 41.21 H new ATOM 0 HD12 LEU A 34 3.566 -6.159 7.447 1.00 41.21 H new ATOM 0 HD13 LEU A 34 2.375 -6.335 8.758 1.00 41.21 H new ATOM 0 HD21 LEU A 34 3.807 -8.704 10.125 1.00 61.45 H new ATOM 0 HD22 LEU A 34 2.054 -8.675 9.818 1.00 61.45 H new ATOM 0 HD23 LEU A 34 3.043 -10.022 9.206 1.00 61.45 H new ATOM 580 N ILE A 35 4.826 -7.710 5.193 1.00 12.43 N ATOM 581 CA ILE A 35 6.182 -8.110 4.787 1.00 3.51 C ATOM 582 C ILE A 35 7.150 -8.154 5.986 1.00 62.31 C ATOM 583 O ILE A 35 7.830 -9.158 6.213 1.00 21.03 O ATOM 584 CB ILE A 35 6.755 -7.150 3.708 1.00 44.20 C ATOM 585 CG1 ILE A 35 5.813 -7.080 2.493 1.00 20.33 C ATOM 586 CG2 ILE A 35 8.157 -7.585 3.271 1.00 52.41 C ATOM 587 CD1 ILE A 35 5.596 -8.411 1.799 1.00 33.32 C ATOM 0 H ILE A 35 4.749 -6.740 5.499 1.00 12.43 H new ATOM 0 HA ILE A 35 6.095 -9.113 4.369 1.00 3.51 H new ATOM 0 HB ILE A 35 6.831 -6.156 4.149 1.00 44.20 H new ATOM 0 HG12 ILE A 35 4.848 -6.690 2.817 1.00 20.33 H new ATOM 0 HG13 ILE A 35 6.219 -6.369 1.773 1.00 20.33 H new ATOM 0 HG21 ILE A 35 8.533 -6.895 2.515 1.00 52.41 H new ATOM 0 HG22 ILE A 35 8.825 -7.579 4.132 1.00 52.41 H new ATOM 0 HG23 ILE A 35 8.112 -8.591 2.854 1.00 52.41 H new ATOM 0 HD11 ILE A 35 4.921 -8.275 0.954 1.00 33.32 H new ATOM 0 HD12 ILE A 35 6.551 -8.795 1.442 1.00 33.32 H new ATOM 0 HD13 ILE A 35 5.160 -9.121 2.502 1.00 33.32 H new ATOM 599 N SER A 36 7.209 -7.065 6.756 1.00 25.13 N ATOM 600 CA SER A 36 8.164 -6.955 7.875 1.00 63.40 C ATOM 601 C SER A 36 7.567 -6.212 9.079 1.00 63.24 C ATOM 602 O SER A 36 6.743 -5.311 8.923 1.00 22.32 O ATOM 603 CB SER A 36 9.439 -6.234 7.414 1.00 44.42 C ATOM 604 OG SER A 36 10.366 -6.094 8.480 1.00 1.21 O ATOM 0 H SER A 36 6.612 -6.247 6.631 1.00 25.13 H new ATOM 0 HA SER A 36 8.402 -7.970 8.192 1.00 63.40 H new ATOM 0 HB2 SER A 36 9.900 -6.792 6.599 1.00 44.42 H new ATOM 0 HB3 SER A 36 9.181 -5.250 7.022 1.00 44.42 H new ATOM 0 HG SER A 36 11.168 -5.633 8.157 1.00 1.21 H new ATOM 610 N GLU A 37 7.991 -6.602 10.283 1.00 35.13 N ATOM 611 CA GLU A 37 7.578 -5.928 11.524 1.00 21.20 C ATOM 612 C GLU A 37 8.792 -5.660 12.433 1.00 63.21 C ATOM 613 O GLU A 37 9.379 -6.595 12.989 1.00 42.21 O ATOM 614 CB GLU A 37 6.547 -6.772 12.292 1.00 54.03 C ATOM 615 CG GLU A 37 5.247 -7.022 11.540 1.00 0.42 C ATOM 616 CD GLU A 37 4.190 -7.691 12.407 1.00 20.15 C ATOM 617 OE1 GLU A 37 4.344 -8.888 12.731 1.00 51.33 O ATOM 618 OE2 GLU A 37 3.206 -7.020 12.785 1.00 64.11 O ATOM 0 H GLU A 37 8.625 -7.387 10.429 1.00 35.13 H new ATOM 0 HA GLU A 37 7.123 -4.978 11.243 1.00 21.20 H new ATOM 0 HB2 GLU A 37 6.997 -7.733 12.542 1.00 54.03 H new ATOM 0 HB3 GLU A 37 6.317 -6.273 13.233 1.00 54.03 H new ATOM 0 HG2 GLU A 37 4.859 -6.074 11.167 1.00 0.42 H new ATOM 0 HG3 GLU A 37 5.449 -7.648 10.671 1.00 0.42 H new ATOM 625 N THR A 38 9.169 -4.389 12.585 1.00 1.22 N ATOM 626 CA THR A 38 10.300 -4.008 13.451 1.00 40.43 C ATOM 627 C THR A 38 9.869 -3.001 14.525 1.00 72.41 C ATOM 628 O THR A 38 9.162 -2.035 14.238 1.00 14.42 O ATOM 629 CB THR A 38 11.480 -3.405 12.640 1.00 33.52 C ATOM 630 OG1 THR A 38 11.063 -2.231 11.924 1.00 70.42 O ATOM 631 CG2 THR A 38 12.044 -4.426 11.655 1.00 71.52 C ATOM 0 H THR A 38 8.712 -3.603 12.123 1.00 1.22 H new ATOM 0 HA THR A 38 10.637 -4.927 13.930 1.00 40.43 H new ATOM 0 HB THR A 38 12.259 -3.130 13.351 1.00 33.52 H new ATOM 0 HG1 THR A 38 10.101 -2.283 11.742 1.00 70.42 H new ATOM 0 HG21 THR A 38 12.869 -3.979 11.100 1.00 71.52 H new ATOM 0 HG22 THR A 38 12.405 -5.298 12.201 1.00 71.52 H new ATOM 0 HG23 THR A 38 11.262 -4.731 10.960 1.00 71.52 H new ATOM 639 N GLY A 39 10.298 -3.235 15.765 1.00 60.23 N ATOM 640 CA GLY A 39 9.947 -2.340 16.863 1.00 63.32 C ATOM 641 C GLY A 39 10.191 -2.961 18.237 1.00 53.42 C ATOM 642 O GLY A 39 9.360 -3.719 18.741 1.00 64.33 O ATOM 0 H GLY A 39 10.882 -4.028 16.031 1.00 60.23 H new ATOM 0 HA2 GLY A 39 10.528 -1.422 16.777 1.00 63.32 H new ATOM 0 HA3 GLY A 39 8.897 -2.062 16.777 1.00 63.32 H new ATOM 646 N GLY A 40 11.345 -2.652 18.828 1.00 5.34 N ATOM 647 CA GLY A 40 11.680 -3.132 20.167 1.00 32.12 C ATOM 648 C GLY A 40 12.704 -2.231 20.855 1.00 13.32 C ATOM 649 O GLY A 40 13.864 -2.168 20.430 1.00 2.22 O ATOM 0 H GLY A 40 12.064 -2.070 18.399 1.00 5.34 H new ATOM 0 HA2 GLY A 40 10.775 -3.181 20.772 1.00 32.12 H new ATOM 0 HA3 GLY A 40 12.075 -4.146 20.101 1.00 32.12 H new ATOM 653 N SER A 41 12.282 -1.530 21.916 1.00 1.41 N ATOM 654 CA SER A 41 13.116 -0.503 22.569 1.00 23.14 C ATOM 655 C SER A 41 13.491 0.594 21.558 1.00 71.14 C ATOM 656 O SER A 41 14.494 1.297 21.710 1.00 44.21 O ATOM 657 CB SER A 41 14.384 -1.133 23.180 1.00 15.54 C ATOM 658 OG SER A 41 15.126 -0.195 23.958 1.00 64.25 O ATOM 0 H SER A 41 11.365 -1.654 22.344 1.00 1.41 H new ATOM 0 HA SER A 41 12.540 -0.053 23.378 1.00 23.14 H new ATOM 0 HB2 SER A 41 14.102 -1.980 23.805 1.00 15.54 H new ATOM 0 HB3 SER A 41 15.016 -1.522 22.382 1.00 15.54 H new ATOM 0 HG SER A 41 15.238 0.635 23.450 1.00 64.25 H new ATOM 664 N HIS A 42 12.646 0.745 20.536 1.00 34.33 N ATOM 665 CA HIS A 42 12.893 1.668 19.424 1.00 31.53 C ATOM 666 C HIS A 42 11.585 1.968 18.674 1.00 21.33 C ATOM 667 O HIS A 42 10.605 1.233 18.807 1.00 74.45 O ATOM 668 CB HIS A 42 13.939 1.065 18.468 1.00 31.32 C ATOM 669 CG HIS A 42 14.277 1.923 17.280 1.00 24.32 C ATOM 670 ND1 HIS A 42 15.124 3.005 17.354 1.00 11.32 N ATOM 671 CD2 HIS A 42 13.881 1.852 15.984 1.00 73.22 C ATOM 672 CE1 HIS A 42 15.236 3.562 16.165 1.00 43.53 C ATOM 673 NE2 HIS A 42 14.493 2.883 15.315 1.00 44.13 N ATOM 0 H HIS A 42 11.769 0.230 20.455 1.00 34.33 H new ATOM 0 HA HIS A 42 13.279 2.606 19.822 1.00 31.53 H new ATOM 0 HB2 HIS A 42 14.853 0.869 19.029 1.00 31.32 H new ATOM 0 HB3 HIS A 42 13.572 0.103 18.111 1.00 31.32 H new ATOM 0 HD2 HIS A 42 13.210 1.121 15.558 1.00 73.22 H new ATOM 0 HE1 HIS A 42 15.835 4.428 15.928 1.00 43.53 H new ATOM 0 HE2 HIS A 42 14.389 3.090 14.322 1.00 44.13 H new ATOM 682 N ASP A 43 11.581 3.051 17.895 1.00 42.30 N ATOM 683 CA ASP A 43 10.407 3.466 17.114 1.00 62.51 C ATOM 684 C ASP A 43 9.796 2.314 16.295 1.00 15.31 C ATOM 685 O ASP A 43 10.509 1.526 15.667 1.00 51.34 O ATOM 686 CB ASP A 43 10.795 4.609 16.172 1.00 50.12 C ATOM 687 CG ASP A 43 11.391 5.791 16.912 1.00 1.21 C ATOM 688 OD1 ASP A 43 12.582 5.719 17.288 1.00 31.14 O ATOM 689 OD2 ASP A 43 10.679 6.794 17.129 1.00 44.41 O ATOM 0 H ASP A 43 12.387 3.666 17.786 1.00 42.30 H new ATOM 0 HA ASP A 43 9.650 3.794 17.826 1.00 62.51 H new ATOM 0 HB2 ASP A 43 11.513 4.243 15.438 1.00 50.12 H new ATOM 0 HB3 ASP A 43 9.914 4.936 15.620 1.00 50.12 H new ATOM 694 N LYS A 44 8.468 2.236 16.307 1.00 55.41 N ATOM 695 CA LYS A 44 7.728 1.234 15.531 1.00 1.32 C ATOM 696 C LYS A 44 7.900 1.448 14.018 1.00 65.43 C ATOM 697 O LYS A 44 7.831 2.578 13.525 1.00 40.44 O ATOM 698 CB LYS A 44 6.236 1.313 15.881 1.00 31.41 C ATOM 699 CG LYS A 44 5.906 0.952 17.327 1.00 60.31 C ATOM 700 CD LYS A 44 5.969 -0.555 17.571 1.00 34.10 C ATOM 701 CE LYS A 44 5.656 -0.894 19.023 1.00 64.24 C ATOM 702 NZ LYS A 44 5.439 -2.350 19.230 1.00 54.24 N ATOM 0 H LYS A 44 7.873 2.861 16.851 1.00 55.41 H new ATOM 0 HA LYS A 44 8.128 0.253 15.786 1.00 1.32 H new ATOM 0 HB2 LYS A 44 5.882 2.325 15.682 1.00 31.41 H new ATOM 0 HB3 LYS A 44 5.684 0.646 15.218 1.00 31.41 H new ATOM 0 HG2 LYS A 44 6.604 1.457 17.995 1.00 60.31 H new ATOM 0 HG3 LYS A 44 4.909 1.317 17.573 1.00 60.31 H new ATOM 0 HD2 LYS A 44 5.260 -1.062 16.916 1.00 34.10 H new ATOM 0 HD3 LYS A 44 6.961 -0.926 17.314 1.00 34.10 H new ATOM 0 HE2 LYS A 44 6.477 -0.558 19.657 1.00 64.24 H new ATOM 0 HE3 LYS A 44 4.766 -0.348 19.337 1.00 64.24 H new ATOM 0 HZ1 LYS A 44 5.229 -2.531 20.233 1.00 54.24 H new ATOM 0 HZ2 LYS A 44 4.639 -2.668 18.646 1.00 54.24 H new ATOM 0 HZ3 LYS A 44 6.296 -2.871 18.956 1.00 54.24 H new ATOM 716 N ARG A 45 8.120 0.363 13.283 1.00 41.25 N ATOM 717 CA ARG A 45 8.207 0.431 11.822 1.00 72.32 C ATOM 718 C ARG A 45 7.767 -0.891 11.177 1.00 71.43 C ATOM 719 O ARG A 45 8.448 -1.912 11.284 1.00 63.43 O ATOM 720 CB ARG A 45 9.628 0.792 11.377 1.00 43.42 C ATOM 721 CG ARG A 45 9.732 1.117 9.888 1.00 32.34 C ATOM 722 CD ARG A 45 11.127 1.600 9.508 1.00 53.13 C ATOM 723 NE ARG A 45 11.535 2.781 10.272 1.00 73.31 N ATOM 724 CZ ARG A 45 12.645 3.437 10.076 1.00 33.44 C ATOM 725 NH1 ARG A 45 13.465 3.089 9.136 1.00 54.35 N ATOM 726 NH2 ARG A 45 12.937 4.454 10.816 1.00 50.44 N ATOM 0 H ARG A 45 8.241 -0.573 13.670 1.00 41.25 H new ATOM 0 HA ARG A 45 7.528 1.215 11.487 1.00 72.32 H new ATOM 0 HB2 ARG A 45 9.975 1.649 11.954 1.00 43.42 H new ATOM 0 HB3 ARG A 45 10.295 -0.038 11.608 1.00 43.42 H new ATOM 0 HG2 ARG A 45 9.483 0.230 9.305 1.00 32.34 H new ATOM 0 HG3 ARG A 45 9.000 1.883 9.632 1.00 32.34 H new ATOM 0 HD2 ARG A 45 11.845 0.797 9.675 1.00 53.13 H new ATOM 0 HD3 ARG A 45 11.151 1.833 8.443 1.00 53.13 H new ATOM 0 HE ARG A 45 10.909 3.113 11.006 1.00 73.31 H new ATOM 0 HH11 ARG A 45 13.246 2.293 8.537 1.00 54.35 H new ATOM 0 HH12 ARG A 45 14.330 3.611 8.994 1.00 54.35 H new ATOM 0 HH21 ARG A 45 12.299 4.746 11.556 1.00 50.44 H new ATOM 0 HH22 ARG A 45 13.806 4.965 10.660 1.00 50.44 H new ATOM 740 N PHE A 46 6.611 -0.859 10.525 1.00 41.22 N ATOM 741 CA PHE A 46 6.058 -2.021 9.826 1.00 4.13 C ATOM 742 C PHE A 46 6.131 -1.817 8.309 1.00 72.02 C ATOM 743 O PHE A 46 6.045 -0.689 7.827 1.00 72.21 O ATOM 744 CB PHE A 46 4.597 -2.235 10.249 1.00 51.23 C ATOM 745 CG PHE A 46 4.416 -2.523 11.721 1.00 0.53 C ATOM 746 CD1 PHE A 46 4.764 -1.580 12.681 1.00 70.01 C ATOM 747 CD2 PHE A 46 3.902 -3.738 12.143 1.00 12.34 C ATOM 748 CE1 PHE A 46 4.601 -1.846 14.027 1.00 32.23 C ATOM 749 CE2 PHE A 46 3.737 -4.007 13.486 1.00 30.55 C ATOM 750 CZ PHE A 46 4.087 -3.061 14.431 1.00 24.14 C ATOM 0 H PHE A 46 6.026 -0.026 10.464 1.00 41.22 H new ATOM 0 HA PHE A 46 6.645 -2.900 10.091 1.00 4.13 H new ATOM 0 HB2 PHE A 46 4.021 -1.346 9.990 1.00 51.23 H new ATOM 0 HB3 PHE A 46 4.181 -3.063 9.674 1.00 51.23 H new ATOM 0 HD1 PHE A 46 5.167 -0.627 12.371 1.00 70.01 H new ATOM 0 HD2 PHE A 46 3.627 -4.484 11.412 1.00 12.34 H new ATOM 0 HE1 PHE A 46 4.876 -1.104 14.762 1.00 32.23 H new ATOM 0 HE2 PHE A 46 3.334 -4.959 13.800 1.00 30.55 H new ATOM 0 HZ PHE A 46 3.959 -3.272 15.482 1.00 24.14 H new ATOM 760 N VAL A 47 6.286 -2.906 7.560 1.00 72.44 N ATOM 761 CA VAL A 47 6.344 -2.841 6.094 1.00 33.23 C ATOM 762 C VAL A 47 5.243 -3.705 5.458 1.00 51.41 C ATOM 763 O VAL A 47 5.209 -4.927 5.640 1.00 42.12 O ATOM 764 CB VAL A 47 7.722 -3.299 5.553 1.00 54.11 C ATOM 765 CG1 VAL A 47 7.763 -3.228 4.024 1.00 64.14 C ATOM 766 CG2 VAL A 47 8.848 -2.466 6.166 1.00 10.34 C ATOM 0 H VAL A 47 6.374 -3.848 7.941 1.00 72.44 H new ATOM 0 HA VAL A 47 6.189 -1.797 5.821 1.00 33.23 H new ATOM 0 HB VAL A 47 7.870 -4.339 5.844 1.00 54.11 H new ATOM 0 HG11 VAL A 47 8.741 -3.555 3.671 1.00 64.14 H new ATOM 0 HG12 VAL A 47 6.992 -3.877 3.609 1.00 64.14 H new ATOM 0 HG13 VAL A 47 7.585 -2.202 3.703 1.00 64.14 H new ATOM 0 HG21 VAL A 47 9.807 -2.804 5.772 1.00 10.34 H new ATOM 0 HG22 VAL A 47 8.702 -1.416 5.914 1.00 10.34 H new ATOM 0 HG23 VAL A 47 8.839 -2.583 7.250 1.00 10.34 H new ATOM 776 N MET A 48 4.351 -3.060 4.713 1.00 22.32 N ATOM 777 CA MET A 48 3.230 -3.742 4.056 1.00 22.23 C ATOM 778 C MET A 48 3.364 -3.663 2.528 1.00 42.11 C ATOM 779 O MET A 48 3.873 -2.678 1.992 1.00 2.33 O ATOM 780 CB MET A 48 1.904 -3.101 4.492 1.00 70.10 C ATOM 781 CG MET A 48 1.652 -3.158 5.996 1.00 42.23 C ATOM 782 SD MET A 48 1.277 -4.817 6.590 1.00 4.44 S ATOM 783 CE MET A 48 -0.296 -5.125 5.784 1.00 63.31 C ATOM 0 H MET A 48 4.380 -2.054 4.545 1.00 22.32 H new ATOM 0 HA MET A 48 3.244 -4.791 4.352 1.00 22.23 H new ATOM 0 HB2 MET A 48 1.893 -2.059 4.171 1.00 70.10 H new ATOM 0 HB3 MET A 48 1.084 -3.601 3.977 1.00 70.10 H new ATOM 0 HG2 MET A 48 2.531 -2.781 6.520 1.00 42.23 H new ATOM 0 HG3 MET A 48 0.824 -2.494 6.245 1.00 42.23 H new ATOM 0 HE1 MET A 48 -0.733 -6.043 6.177 1.00 63.31 H new ATOM 0 HE2 MET A 48 -0.972 -4.291 5.974 1.00 63.31 H new ATOM 0 HE3 MET A 48 -0.140 -5.228 4.710 1.00 63.31 H new ATOM 793 N GLU A 49 2.911 -4.702 1.832 1.00 71.34 N ATOM 794 CA GLU A 49 2.908 -4.708 0.362 1.00 44.24 C ATOM 795 C GLU A 49 1.478 -4.769 -0.183 1.00 32.31 C ATOM 796 O GLU A 49 0.632 -5.489 0.345 1.00 24.52 O ATOM 797 CB GLU A 49 3.713 -5.896 -0.183 1.00 44.01 C ATOM 798 CG GLU A 49 3.792 -5.930 -1.709 1.00 11.54 C ATOM 799 CD GLU A 49 4.607 -7.100 -2.239 1.00 21.23 C ATOM 800 OE1 GLU A 49 4.028 -8.180 -2.468 1.00 3.34 O ATOM 801 OE2 GLU A 49 5.828 -6.942 -2.439 1.00 1.44 O ATOM 0 H GLU A 49 2.541 -5.552 2.256 1.00 71.34 H new ATOM 0 HA GLU A 49 3.375 -3.780 0.031 1.00 44.24 H new ATOM 0 HB2 GLU A 49 4.723 -5.858 0.224 1.00 44.01 H new ATOM 0 HB3 GLU A 49 3.262 -6.823 0.170 1.00 44.01 H new ATOM 0 HG2 GLU A 49 2.783 -5.983 -2.118 1.00 11.54 H new ATOM 0 HG3 GLU A 49 4.231 -4.998 -2.065 1.00 11.54 H new ATOM 808 N VAL A 50 1.210 -4.014 -1.240 1.00 52.24 N ATOM 809 CA VAL A 50 -0.105 -4.019 -1.877 1.00 33.14 C ATOM 810 C VAL A 50 -0.009 -4.407 -3.361 1.00 24.34 C ATOM 811 O VAL A 50 0.779 -3.835 -4.118 1.00 1.11 O ATOM 812 CB VAL A 50 -0.805 -2.640 -1.736 1.00 3.54 C ATOM 813 CG1 VAL A 50 0.063 -1.513 -2.296 1.00 40.31 C ATOM 814 CG2 VAL A 50 -2.178 -2.662 -2.410 1.00 51.13 C ATOM 0 H VAL A 50 1.886 -3.388 -1.677 1.00 52.24 H new ATOM 0 HA VAL A 50 -0.705 -4.769 -1.362 1.00 33.14 H new ATOM 0 HB VAL A 50 -0.948 -2.444 -0.673 1.00 3.54 H new ATOM 0 HG11 VAL A 50 -0.457 -0.562 -2.181 1.00 40.31 H new ATOM 0 HG12 VAL A 50 1.008 -1.478 -1.754 1.00 40.31 H new ATOM 0 HG13 VAL A 50 0.258 -1.695 -3.353 1.00 40.31 H new ATOM 0 HG21 VAL A 50 -2.653 -1.687 -2.300 1.00 51.13 H new ATOM 0 HG22 VAL A 50 -2.060 -2.891 -3.469 1.00 51.13 H new ATOM 0 HG23 VAL A 50 -2.801 -3.424 -1.941 1.00 51.13 H new ATOM 824 N GLU A 51 -0.798 -5.403 -3.765 1.00 53.23 N ATOM 825 CA GLU A 51 -0.893 -5.787 -5.176 1.00 43.42 C ATOM 826 C GLU A 51 -1.924 -4.907 -5.900 1.00 35.21 C ATOM 827 O GLU A 51 -3.134 -5.097 -5.757 1.00 1.31 O ATOM 828 CB GLU A 51 -1.266 -7.274 -5.313 1.00 73.23 C ATOM 829 CG GLU A 51 -1.486 -7.721 -6.758 1.00 33.14 C ATOM 830 CD GLU A 51 -1.832 -9.198 -6.884 1.00 73.11 C ATOM 831 OE1 GLU A 51 -2.896 -9.613 -6.379 1.00 33.40 O ATOM 832 OE2 GLU A 51 -1.044 -9.951 -7.492 1.00 33.21 O ATOM 0 H GLU A 51 -1.380 -5.958 -3.138 1.00 53.23 H new ATOM 0 HA GLU A 51 0.082 -5.636 -5.639 1.00 43.42 H new ATOM 0 HB2 GLU A 51 -0.475 -7.880 -4.871 1.00 73.23 H new ATOM 0 HB3 GLU A 51 -2.173 -7.466 -4.740 1.00 73.23 H new ATOM 0 HG2 GLU A 51 -2.289 -7.128 -7.196 1.00 33.14 H new ATOM 0 HG3 GLU A 51 -0.585 -7.515 -7.336 1.00 33.14 H new ATOM 839 N VAL A 52 -1.431 -3.931 -6.654 1.00 32.04 N ATOM 840 CA VAL A 52 -2.285 -2.994 -7.388 1.00 52.23 C ATOM 841 C VAL A 52 -2.249 -3.269 -8.896 1.00 3.34 C ATOM 842 O VAL A 52 -1.241 -3.007 -9.556 1.00 34.41 O ATOM 843 CB VAL A 52 -1.843 -1.532 -7.131 1.00 0.13 C ATOM 844 CG1 VAL A 52 -2.796 -0.544 -7.803 1.00 42.41 C ATOM 845 CG2 VAL A 52 -1.740 -1.256 -5.636 1.00 15.43 C ATOM 0 H VAL A 52 -0.432 -3.764 -6.776 1.00 32.04 H new ATOM 0 HA VAL A 52 -3.303 -3.137 -7.027 1.00 52.23 H new ATOM 0 HB VAL A 52 -0.855 -1.395 -7.572 1.00 0.13 H new ATOM 0 HG11 VAL A 52 -2.462 0.475 -7.606 1.00 42.41 H new ATOM 0 HG12 VAL A 52 -2.805 -0.722 -8.878 1.00 42.41 H new ATOM 0 HG13 VAL A 52 -3.801 -0.680 -7.404 1.00 42.41 H new ATOM 0 HG21 VAL A 52 -1.428 -0.224 -5.477 1.00 15.43 H new ATOM 0 HG22 VAL A 52 -2.711 -1.418 -5.168 1.00 15.43 H new ATOM 0 HG23 VAL A 52 -1.007 -1.929 -5.191 1.00 15.43 H new ATOM 855 N ASP A 53 -3.345 -3.812 -9.434 1.00 22.22 N ATOM 856 CA ASP A 53 -3.457 -4.082 -10.876 1.00 42.01 C ATOM 857 C ASP A 53 -2.380 -5.095 -11.329 1.00 60.51 C ATOM 858 O ASP A 53 -1.978 -5.135 -12.493 1.00 2.24 O ATOM 859 CB ASP A 53 -3.352 -2.753 -11.651 1.00 24.53 C ATOM 860 CG ASP A 53 -3.688 -2.888 -13.129 1.00 53.53 C ATOM 861 OD1 ASP A 53 -4.819 -3.312 -13.450 1.00 52.45 O ATOM 862 OD2 ASP A 53 -2.829 -2.560 -13.974 1.00 73.35 O ATOM 0 H ASP A 53 -4.170 -4.075 -8.894 1.00 22.22 H new ATOM 0 HA ASP A 53 -4.427 -4.532 -11.089 1.00 42.01 H new ATOM 0 HB2 ASP A 53 -4.023 -2.023 -11.199 1.00 24.53 H new ATOM 0 HB3 ASP A 53 -2.340 -2.361 -11.550 1.00 24.53 H new ATOM 867 N GLY A 54 -1.945 -5.943 -10.395 1.00 42.43 N ATOM 868 CA GLY A 54 -0.884 -6.906 -10.676 1.00 40.44 C ATOM 869 C GLY A 54 0.496 -6.432 -10.218 1.00 51.43 C ATOM 870 O GLY A 54 1.403 -7.241 -10.023 1.00 50.12 O ATOM 0 H GLY A 54 -2.310 -5.981 -9.443 1.00 42.43 H new ATOM 0 HA2 GLY A 54 -1.119 -7.850 -10.184 1.00 40.44 H new ATOM 0 HA3 GLY A 54 -0.856 -7.104 -11.748 1.00 40.44 H new ATOM 874 N GLN A 55 0.644 -5.122 -10.033 1.00 13.33 N ATOM 875 CA GLN A 55 1.923 -4.519 -9.628 1.00 23.13 C ATOM 876 C GLN A 55 2.022 -4.393 -8.098 1.00 0.35 C ATOM 877 O GLN A 55 1.173 -3.772 -7.467 1.00 14.54 O ATOM 878 CB GLN A 55 2.056 -3.131 -10.267 1.00 73.25 C ATOM 879 CG GLN A 55 2.060 -3.153 -11.792 1.00 54.11 C ATOM 880 CD GLN A 55 1.885 -1.772 -12.398 1.00 44.11 C ATOM 881 OE1 GLN A 55 2.849 -1.047 -12.625 1.00 34.00 O ATOM 882 NE2 GLN A 55 0.652 -1.401 -12.668 1.00 24.33 N ATOM 0 H GLN A 55 -0.111 -4.448 -10.157 1.00 13.33 H new ATOM 0 HA GLN A 55 2.731 -5.167 -9.968 1.00 23.13 H new ATOM 0 HB2 GLN A 55 1.234 -2.503 -9.924 1.00 73.25 H new ATOM 0 HB3 GLN A 55 2.978 -2.667 -9.917 1.00 73.25 H new ATOM 0 HG2 GLN A 55 2.998 -3.583 -12.143 1.00 54.11 H new ATOM 0 HG3 GLN A 55 1.260 -3.804 -12.144 1.00 54.11 H new ATOM 0 HE21 GLN A 55 -0.126 -2.030 -12.466 1.00 24.33 H new ATOM 0 HE22 GLN A 55 0.474 -0.485 -13.079 1.00 24.33 H new ATOM 891 N LYS A 56 3.062 -4.977 -7.506 1.00 61.10 N ATOM 892 CA LYS A 56 3.232 -4.952 -6.043 1.00 3.50 C ATOM 893 C LYS A 56 4.066 -3.743 -5.578 1.00 74.24 C ATOM 894 O LYS A 56 5.136 -3.462 -6.125 1.00 54.04 O ATOM 895 CB LYS A 56 3.887 -6.255 -5.548 1.00 10.40 C ATOM 896 CG LYS A 56 3.015 -7.505 -5.706 1.00 65.54 C ATOM 897 CD LYS A 56 2.868 -7.923 -7.167 1.00 11.52 C ATOM 898 CE LYS A 56 2.061 -9.207 -7.319 1.00 24.50 C ATOM 899 NZ LYS A 56 1.903 -9.597 -8.747 1.00 41.53 N ATOM 0 H LYS A 56 3.799 -5.472 -8.008 1.00 61.10 H new ATOM 0 HA LYS A 56 2.236 -4.860 -5.610 1.00 3.50 H new ATOM 0 HB2 LYS A 56 4.820 -6.407 -6.091 1.00 10.40 H new ATOM 0 HB3 LYS A 56 4.147 -6.139 -4.496 1.00 10.40 H new ATOM 0 HG2 LYS A 56 3.452 -8.326 -5.137 1.00 65.54 H new ATOM 0 HG3 LYS A 56 2.029 -7.314 -5.283 1.00 65.54 H new ATOM 0 HD2 LYS A 56 2.383 -7.122 -7.725 1.00 11.52 H new ATOM 0 HD3 LYS A 56 3.856 -8.063 -7.605 1.00 11.52 H new ATOM 0 HE2 LYS A 56 2.554 -10.012 -6.775 1.00 24.50 H new ATOM 0 HE3 LYS A 56 1.078 -9.073 -6.868 1.00 24.50 H new ATOM 0 HZ1 LYS A 56 1.048 -10.179 -8.855 1.00 41.53 H new ATOM 0 HZ2 LYS A 56 1.816 -8.742 -9.333 1.00 41.53 H new ATOM 0 HZ3 LYS A 56 2.734 -10.143 -9.052 1.00 41.53 H new ATOM 913 N PHE A 57 3.567 -3.035 -4.559 1.00 44.32 N ATOM 914 CA PHE A 57 4.262 -1.869 -3.987 1.00 2.24 C ATOM 915 C PHE A 57 4.366 -1.981 -2.454 1.00 21.21 C ATOM 916 O PHE A 57 3.377 -2.264 -1.779 1.00 51.23 O ATOM 917 CB PHE A 57 3.524 -0.575 -4.355 1.00 15.24 C ATOM 918 CG PHE A 57 3.416 -0.327 -5.842 1.00 1.14 C ATOM 919 CD1 PHE A 57 4.449 0.289 -6.536 1.00 4.31 C ATOM 920 CD2 PHE A 57 2.281 -0.713 -6.544 1.00 13.55 C ATOM 921 CE1 PHE A 57 4.351 0.516 -7.895 1.00 23.53 C ATOM 922 CE2 PHE A 57 2.180 -0.487 -7.905 1.00 74.34 C ATOM 923 CZ PHE A 57 3.217 0.126 -8.580 1.00 2.21 C ATOM 0 H PHE A 57 2.677 -3.249 -4.108 1.00 44.32 H new ATOM 0 HA PHE A 57 5.269 -1.845 -4.404 1.00 2.24 H new ATOM 0 HB2 PHE A 57 2.521 -0.608 -3.929 1.00 15.24 H new ATOM 0 HB3 PHE A 57 4.039 0.268 -3.894 1.00 15.24 H new ATOM 0 HD1 PHE A 57 5.340 0.594 -6.007 1.00 4.31 H new ATOM 0 HD2 PHE A 57 1.468 -1.195 -6.021 1.00 13.55 H new ATOM 0 HE1 PHE A 57 5.161 0.998 -8.422 1.00 23.53 H new ATOM 0 HE2 PHE A 57 1.291 -0.790 -8.439 1.00 74.34 H new ATOM 0 HZ PHE A 57 3.141 0.300 -9.643 1.00 2.21 H new ATOM 933 N GLN A 58 5.563 -1.756 -1.910 1.00 13.45 N ATOM 934 CA GLN A 58 5.794 -1.844 -0.457 1.00 50.24 C ATOM 935 C GLN A 58 5.998 -0.461 0.193 1.00 40.23 C ATOM 936 O GLN A 58 6.582 0.447 -0.404 1.00 21.02 O ATOM 937 CB GLN A 58 7.018 -2.726 -0.168 1.00 14.35 C ATOM 938 CG GLN A 58 6.786 -4.211 -0.421 1.00 23.33 C ATOM 939 CD GLN A 58 8.036 -5.048 -0.209 1.00 65.53 C ATOM 940 OE1 GLN A 58 8.911 -4.696 0.570 1.00 40.14 O ATOM 941 NE2 GLN A 58 8.115 -6.176 -0.878 1.00 4.01 N ATOM 0 H GLN A 58 6.393 -1.511 -2.450 1.00 13.45 H new ATOM 0 HA GLN A 58 4.899 -2.287 -0.021 1.00 50.24 H new ATOM 0 HB2 GLN A 58 7.850 -2.388 -0.786 1.00 14.35 H new ATOM 0 HB3 GLN A 58 7.316 -2.587 0.871 1.00 14.35 H new ATOM 0 HG2 GLN A 58 5.998 -4.569 0.242 1.00 23.33 H new ATOM 0 HG3 GLN A 58 6.431 -4.350 -1.442 1.00 23.33 H new ATOM 0 HE21 GLN A 58 7.368 -6.441 -1.520 1.00 4.01 H new ATOM 0 HE22 GLN A 58 8.923 -6.786 -0.755 1.00 4.01 H new ATOM 950 N GLY A 59 5.524 -0.323 1.432 1.00 0.52 N ATOM 951 CA GLY A 59 5.691 0.917 2.186 1.00 41.34 C ATOM 952 C GLY A 59 5.853 0.677 3.686 1.00 32.21 C ATOM 953 O GLY A 59 5.410 -0.351 4.205 1.00 1.44 O ATOM 0 H GLY A 59 5.022 -1.056 1.933 1.00 0.52 H new ATOM 0 HA2 GLY A 59 6.564 1.451 1.811 1.00 41.34 H new ATOM 0 HA3 GLY A 59 4.827 1.560 2.016 1.00 41.34 H new ATOM 957 N ALA A 60 6.479 1.624 4.383 1.00 2.33 N ATOM 958 CA ALA A 60 6.755 1.485 5.822 1.00 1.33 C ATOM 959 C ALA A 60 6.024 2.552 6.658 1.00 41.43 C ATOM 960 O ALA A 60 5.868 3.693 6.226 1.00 50.34 O ATOM 961 CB ALA A 60 8.259 1.560 6.073 1.00 4.12 C ATOM 0 H ALA A 60 6.808 2.500 3.978 1.00 2.33 H new ATOM 0 HA ALA A 60 6.379 0.512 6.137 1.00 1.33 H new ATOM 0 HB1 ALA A 60 8.455 1.456 7.140 1.00 4.12 H new ATOM 0 HB2 ALA A 60 8.759 0.756 5.532 1.00 4.12 H new ATOM 0 HB3 ALA A 60 8.638 2.521 5.726 1.00 4.12 H new ATOM 967 N GLY A 61 5.586 2.170 7.860 1.00 20.02 N ATOM 968 CA GLY A 61 4.884 3.101 8.745 1.00 15.52 C ATOM 969 C GLY A 61 4.965 2.704 10.221 1.00 3.22 C ATOM 970 O GLY A 61 5.531 1.669 10.557 1.00 74.45 O ATOM 0 H GLY A 61 5.704 1.231 8.240 1.00 20.02 H new ATOM 0 HA2 GLY A 61 5.305 4.099 8.620 1.00 15.52 H new ATOM 0 HA3 GLY A 61 3.837 3.157 8.447 1.00 15.52 H new ATOM 974 N SER A 62 4.387 3.522 11.103 1.00 21.22 N ATOM 975 CA SER A 62 4.434 3.268 12.562 1.00 3.53 C ATOM 976 C SER A 62 3.606 2.040 12.983 1.00 23.20 C ATOM 977 O SER A 62 3.734 1.547 14.101 1.00 35.03 O ATOM 978 CB SER A 62 3.938 4.498 13.337 1.00 15.02 C ATOM 979 OG SER A 62 4.695 5.652 13.007 1.00 73.32 O ATOM 0 H SER A 62 3.879 4.367 10.842 1.00 21.22 H new ATOM 0 HA SER A 62 5.477 3.064 12.804 1.00 3.53 H new ATOM 0 HB2 SER A 62 2.886 4.673 13.112 1.00 15.02 H new ATOM 0 HB3 SER A 62 4.007 4.308 14.408 1.00 15.02 H new ATOM 0 HG SER A 62 4.357 6.420 13.513 1.00 73.32 H new ATOM 985 N ASN A 63 2.745 1.568 12.090 1.00 74.12 N ATOM 986 CA ASN A 63 1.909 0.382 12.339 1.00 54.11 C ATOM 987 C ASN A 63 1.365 -0.163 11.015 1.00 53.12 C ATOM 988 O ASN A 63 1.595 0.434 9.967 1.00 31.51 O ATOM 989 CB ASN A 63 0.752 0.711 13.298 1.00 53.25 C ATOM 990 CG ASN A 63 -0.009 1.954 12.886 1.00 55.41 C ATOM 991 OD1 ASN A 63 -0.880 1.909 12.024 1.00 70.22 O ATOM 992 ND2 ASN A 63 0.300 3.073 13.510 1.00 73.20 N ATOM 0 H ASN A 63 2.601 1.990 11.172 1.00 74.12 H new ATOM 0 HA ASN A 63 2.529 -0.381 12.810 1.00 54.11 H new ATOM 0 HB2 ASN A 63 0.066 -0.135 13.337 1.00 53.25 H new ATOM 0 HB3 ASN A 63 1.147 0.848 14.305 1.00 53.25 H new ATOM 0 HD21 ASN A 63 -0.191 3.937 13.281 1.00 73.20 H new ATOM 0 HD22 ASN A 63 1.030 3.075 14.222 1.00 73.20 H new ATOM 999 N LYS A 64 0.648 -1.290 11.058 1.00 52.52 N ATOM 1000 CA LYS A 64 0.087 -1.887 9.834 1.00 42.05 C ATOM 1001 C LYS A 64 -0.746 -0.875 9.028 1.00 12.42 C ATOM 1002 O LYS A 64 -0.593 -0.766 7.813 1.00 61.13 O ATOM 1003 CB LYS A 64 -0.767 -3.123 10.162 1.00 0.21 C ATOM 1004 CG LYS A 64 0.041 -4.374 10.505 1.00 44.13 C ATOM 1005 CD LYS A 64 -0.867 -5.591 10.674 1.00 64.20 C ATOM 1006 CE LYS A 64 -0.080 -6.887 10.849 1.00 63.01 C ATOM 1007 NZ LYS A 64 0.733 -6.894 12.094 1.00 25.21 N ATOM 0 H LYS A 64 0.442 -1.805 11.914 1.00 52.52 H new ATOM 0 HA LYS A 64 0.933 -2.193 9.219 1.00 42.05 H new ATOM 0 HB2 LYS A 64 -1.421 -2.886 11.001 1.00 0.21 H new ATOM 0 HB3 LYS A 64 -1.410 -3.342 9.309 1.00 0.21 H new ATOM 0 HG2 LYS A 64 0.769 -4.567 9.717 1.00 44.13 H new ATOM 0 HG3 LYS A 64 0.603 -4.206 11.424 1.00 44.13 H new ATOM 0 HD2 LYS A 64 -1.512 -5.442 11.540 1.00 64.20 H new ATOM 0 HD3 LYS A 64 -1.517 -5.679 9.804 1.00 64.20 H new ATOM 0 HE2 LYS A 64 -0.772 -7.729 10.866 1.00 63.01 H new ATOM 0 HE3 LYS A 64 0.575 -7.030 9.990 1.00 63.01 H new ATOM 0 HZ1 LYS A 64 1.738 -7.006 11.852 1.00 25.21 H new ATOM 0 HZ2 LYS A 64 0.597 -5.997 12.602 1.00 25.21 H new ATOM 0 HZ3 LYS A 64 0.433 -7.684 12.700 1.00 25.21 H new ATOM 1021 N LYS A 65 -1.616 -0.133 9.713 1.00 43.42 N ATOM 1022 CA LYS A 65 -2.463 0.877 9.059 1.00 31.42 C ATOM 1023 C LYS A 65 -1.617 1.944 8.338 1.00 22.43 C ATOM 1024 O LYS A 65 -1.802 2.210 7.149 1.00 61.22 O ATOM 1025 CB LYS A 65 -3.372 1.554 10.098 1.00 74.02 C ATOM 1026 CG LYS A 65 -4.374 0.611 10.764 1.00 33.04 C ATOM 1027 CD LYS A 65 -5.080 1.276 11.948 1.00 73.41 C ATOM 1028 CE LYS A 65 -5.806 2.557 11.543 1.00 3.20 C ATOM 1029 NZ LYS A 65 -6.947 2.295 10.625 1.00 2.04 N ATOM 0 H LYS A 65 -1.756 -0.209 10.720 1.00 43.42 H new ATOM 0 HA LYS A 65 -3.073 0.367 8.313 1.00 31.42 H new ATOM 0 HB2 LYS A 65 -2.749 2.007 10.869 1.00 74.02 H new ATOM 0 HB3 LYS A 65 -3.918 2.363 9.614 1.00 74.02 H new ATOM 0 HG2 LYS A 65 -5.115 0.292 10.031 1.00 33.04 H new ATOM 0 HG3 LYS A 65 -3.857 -0.286 11.106 1.00 33.04 H new ATOM 0 HD2 LYS A 65 -5.795 0.577 12.381 1.00 73.41 H new ATOM 0 HD3 LYS A 65 -4.348 1.505 12.723 1.00 73.41 H new ATOM 0 HE2 LYS A 65 -6.171 3.063 12.437 1.00 3.20 H new ATOM 0 HE3 LYS A 65 -5.101 3.233 11.059 1.00 3.20 H new ATOM 0 HZ1 LYS A 65 -7.418 3.192 10.392 1.00 2.04 H new ATOM 0 HZ2 LYS A 65 -6.596 1.852 9.752 1.00 2.04 H new ATOM 0 HZ3 LYS A 65 -7.626 1.658 11.088 1.00 2.04 H new ATOM 1043 N VAL A 66 -0.681 2.545 9.071 1.00 73.20 N ATOM 1044 CA VAL A 66 0.198 3.583 8.516 1.00 21.33 C ATOM 1045 C VAL A 66 1.111 3.025 7.408 1.00 74.52 C ATOM 1046 O VAL A 66 1.371 3.692 6.408 1.00 33.31 O ATOM 1047 CB VAL A 66 1.062 4.236 9.627 1.00 14.12 C ATOM 1048 CG1 VAL A 66 1.968 5.322 9.051 1.00 64.30 C ATOM 1049 CG2 VAL A 66 0.177 4.803 10.736 1.00 11.12 C ATOM 0 H VAL A 66 -0.509 2.333 10.054 1.00 73.20 H new ATOM 0 HA VAL A 66 -0.448 4.343 8.077 1.00 21.33 H new ATOM 0 HB VAL A 66 1.697 3.462 10.057 1.00 14.12 H new ATOM 0 HG11 VAL A 66 2.562 5.763 9.852 1.00 64.30 H new ATOM 0 HG12 VAL A 66 2.632 4.884 8.305 1.00 64.30 H new ATOM 0 HG13 VAL A 66 1.358 6.095 8.584 1.00 64.30 H new ATOM 0 HG21 VAL A 66 0.803 5.256 11.505 1.00 11.12 H new ATOM 0 HG22 VAL A 66 -0.490 5.558 10.319 1.00 11.12 H new ATOM 0 HG23 VAL A 66 -0.414 4.000 11.176 1.00 11.12 H new ATOM 1059 N ALA A 67 1.587 1.798 7.589 1.00 64.25 N ATOM 1060 CA ALA A 67 2.426 1.138 6.584 1.00 73.52 C ATOM 1061 C ALA A 67 1.645 0.895 5.286 1.00 55.20 C ATOM 1062 O ALA A 67 2.162 1.108 4.192 1.00 42.14 O ATOM 1063 CB ALA A 67 2.974 -0.172 7.132 1.00 30.51 C ATOM 0 H ALA A 67 1.408 1.236 8.422 1.00 64.25 H new ATOM 0 HA ALA A 67 3.262 1.798 6.353 1.00 73.52 H new ATOM 0 HB1 ALA A 67 3.595 -0.651 6.375 1.00 30.51 H new ATOM 0 HB2 ALA A 67 3.573 0.028 8.020 1.00 30.51 H new ATOM 0 HB3 ALA A 67 2.147 -0.832 7.393 1.00 30.51 H new ATOM 1069 N LYS A 68 0.394 0.449 5.421 1.00 53.42 N ATOM 1070 CA LYS A 68 -0.508 0.311 4.270 1.00 4.34 C ATOM 1071 C LYS A 68 -0.708 1.662 3.569 1.00 24.51 C ATOM 1072 O LYS A 68 -0.867 1.723 2.351 1.00 62.34 O ATOM 1073 CB LYS A 68 -1.867 -0.254 4.718 1.00 74.23 C ATOM 1074 CG LYS A 68 -1.809 -1.710 5.175 1.00 72.04 C ATOM 1075 CD LYS A 68 -3.121 -2.173 5.810 1.00 3.24 C ATOM 1076 CE LYS A 68 -4.298 -2.091 4.842 1.00 13.13 C ATOM 1077 NZ LYS A 68 -5.540 -2.652 5.436 1.00 45.41 N ATOM 0 H LYS A 68 -0.019 0.177 6.313 1.00 53.42 H new ATOM 0 HA LYS A 68 -0.051 -0.382 3.564 1.00 4.34 H new ATOM 0 HB2 LYS A 68 -2.253 0.358 5.533 1.00 74.23 H new ATOM 0 HB3 LYS A 68 -2.575 -0.170 3.893 1.00 74.23 H new ATOM 0 HG2 LYS A 68 -1.577 -2.347 4.322 1.00 72.04 H new ATOM 0 HG3 LYS A 68 -0.998 -1.831 5.893 1.00 72.04 H new ATOM 0 HD2 LYS A 68 -3.011 -3.200 6.157 1.00 3.24 H new ATOM 0 HD3 LYS A 68 -3.332 -1.561 6.687 1.00 3.24 H new ATOM 0 HE2 LYS A 68 -4.466 -1.051 4.562 1.00 13.13 H new ATOM 0 HE3 LYS A 68 -4.055 -2.632 3.928 1.00 13.13 H new ATOM 0 HZ1 LYS A 68 -6.317 -2.579 4.749 1.00 45.41 H new ATOM 0 HZ2 LYS A 68 -5.387 -3.651 5.681 1.00 45.41 H new ATOM 0 HZ3 LYS A 68 -5.786 -2.119 6.295 1.00 45.41 H new ATOM 1091 N ALA A 69 -0.703 2.743 4.352 1.00 14.24 N ATOM 1092 CA ALA A 69 -0.819 4.100 3.808 1.00 30.23 C ATOM 1093 C ALA A 69 0.361 4.444 2.885 1.00 10.02 C ATOM 1094 O ALA A 69 0.164 4.892 1.754 1.00 40.14 O ATOM 1095 CB ALA A 69 -0.933 5.121 4.938 1.00 33.43 C ATOM 0 H ALA A 69 -0.620 2.706 5.368 1.00 14.24 H new ATOM 0 HA ALA A 69 -1.728 4.139 3.207 1.00 30.23 H new ATOM 0 HB1 ALA A 69 -1.018 6.122 4.516 1.00 33.43 H new ATOM 0 HB2 ALA A 69 -1.817 4.903 5.537 1.00 33.43 H new ATOM 0 HB3 ALA A 69 -0.045 5.067 5.568 1.00 33.43 H new ATOM 1101 N TYR A 70 1.586 4.233 3.369 1.00 33.31 N ATOM 1102 CA TYR A 70 2.788 4.491 2.561 1.00 52.34 C ATOM 1103 C TYR A 70 2.920 3.491 1.400 1.00 21.45 C ATOM 1104 O TYR A 70 3.436 3.831 0.334 1.00 73.11 O ATOM 1105 CB TYR A 70 4.049 4.477 3.441 1.00 24.25 C ATOM 1106 CG TYR A 70 4.175 5.708 4.327 1.00 40.01 C ATOM 1107 CD1 TYR A 70 3.546 5.769 5.566 1.00 13.42 C ATOM 1108 CD2 TYR A 70 4.922 6.811 3.920 1.00 63.14 C ATOM 1109 CE1 TYR A 70 3.654 6.889 6.370 1.00 64.12 C ATOM 1110 CE2 TYR A 70 5.035 7.934 4.720 1.00 44.22 C ATOM 1111 CZ TYR A 70 4.400 7.967 5.946 1.00 14.25 C ATOM 1112 OH TYR A 70 4.512 9.082 6.749 1.00 43.23 O ATOM 0 H TYR A 70 1.776 3.887 4.309 1.00 33.31 H new ATOM 0 HA TYR A 70 2.682 5.484 2.125 1.00 52.34 H new ATOM 0 HB2 TYR A 70 4.037 3.586 4.068 1.00 24.25 H new ATOM 0 HB3 TYR A 70 4.929 4.405 2.802 1.00 24.25 H new ATOM 0 HD1 TYR A 70 2.963 4.926 5.906 1.00 13.42 H new ATOM 0 HD2 TYR A 70 5.422 6.789 2.963 1.00 63.14 H new ATOM 0 HE1 TYR A 70 3.155 6.919 7.327 1.00 64.12 H new ATOM 0 HE2 TYR A 70 5.617 8.781 4.387 1.00 44.22 H new ATOM 0 HH TYR A 70 5.073 9.751 6.304 1.00 43.23 H new ATOM 1122 N ALA A 71 2.449 2.262 1.605 1.00 3.53 N ATOM 1123 CA ALA A 71 2.391 1.269 0.527 1.00 33.41 C ATOM 1124 C ALA A 71 1.451 1.741 -0.591 1.00 75.04 C ATOM 1125 O ALA A 71 1.784 1.677 -1.777 1.00 74.23 O ATOM 1126 CB ALA A 71 1.938 -0.082 1.076 1.00 54.13 C ATOM 0 H ALA A 71 2.102 1.928 2.504 1.00 3.53 H new ATOM 0 HA ALA A 71 3.390 1.154 0.106 1.00 33.41 H new ATOM 0 HB1 ALA A 71 1.899 -0.810 0.265 1.00 54.13 H new ATOM 0 HB2 ALA A 71 2.643 -0.421 1.835 1.00 54.13 H new ATOM 0 HB3 ALA A 71 0.948 0.019 1.520 1.00 54.13 H new ATOM 1132 N ALA A 72 0.281 2.231 -0.193 1.00 50.14 N ATOM 1133 CA ALA A 72 -0.678 2.814 -1.131 1.00 71.41 C ATOM 1134 C ALA A 72 -0.096 4.064 -1.808 1.00 10.15 C ATOM 1135 O ALA A 72 -0.300 4.287 -3.001 1.00 53.22 O ATOM 1136 CB ALA A 72 -1.977 3.151 -0.409 1.00 34.31 C ATOM 0 H ALA A 72 -0.029 2.237 0.779 1.00 50.14 H new ATOM 0 HA ALA A 72 -0.888 2.080 -1.909 1.00 71.41 H new ATOM 0 HB1 ALA A 72 -2.684 3.584 -1.116 1.00 34.31 H new ATOM 0 HB2 ALA A 72 -2.402 2.243 0.019 1.00 34.31 H new ATOM 0 HB3 ALA A 72 -1.775 3.867 0.388 1.00 34.31 H new ATOM 1142 N LEU A 73 0.634 4.871 -1.036 1.00 53.21 N ATOM 1143 CA LEU A 73 1.339 6.043 -1.575 1.00 31.02 C ATOM 1144 C LEU A 73 2.309 5.649 -2.699 1.00 12.22 C ATOM 1145 O LEU A 73 2.369 6.312 -3.733 1.00 75.13 O ATOM 1146 CB LEU A 73 2.099 6.775 -0.456 1.00 13.43 C ATOM 1147 CG LEU A 73 1.256 7.730 0.402 1.00 2.02 C ATOM 1148 CD1 LEU A 73 2.079 8.287 1.562 1.00 35.12 C ATOM 1149 CD2 LEU A 73 0.703 8.868 -0.451 1.00 13.42 C ATOM 0 H LEU A 73 0.755 4.737 -0.032 1.00 53.21 H new ATOM 0 HA LEU A 73 0.589 6.713 -1.996 1.00 31.02 H new ATOM 0 HB2 LEU A 73 2.552 6.030 0.199 1.00 13.43 H new ATOM 0 HB3 LEU A 73 2.914 7.342 -0.905 1.00 13.43 H new ATOM 0 HG LEU A 73 0.419 7.166 0.815 1.00 2.02 H new ATOM 0 HD11 LEU A 73 1.461 8.961 2.156 1.00 35.12 H new ATOM 0 HD12 LEU A 73 2.426 7.466 2.189 1.00 35.12 H new ATOM 0 HD13 LEU A 73 2.937 8.832 1.170 1.00 35.12 H new ATOM 0 HD21 LEU A 73 0.108 9.535 0.173 1.00 13.42 H new ATOM 0 HD22 LEU A 73 1.529 9.425 -0.893 1.00 13.42 H new ATOM 0 HD23 LEU A 73 0.077 8.458 -1.243 1.00 13.42 H new ATOM 1161 N ALA A 74 3.063 4.570 -2.490 1.00 72.44 N ATOM 1162 CA ALA A 74 3.986 4.059 -3.512 1.00 53.53 C ATOM 1163 C ALA A 74 3.245 3.716 -4.817 1.00 5.54 C ATOM 1164 O ALA A 74 3.754 3.936 -5.916 1.00 13.40 O ATOM 1165 CB ALA A 74 4.730 2.832 -2.987 1.00 65.33 C ATOM 0 H ALA A 74 3.055 4.031 -1.624 1.00 72.44 H new ATOM 0 HA ALA A 74 4.708 4.845 -3.734 1.00 53.53 H new ATOM 0 HB1 ALA A 74 5.411 2.463 -3.754 1.00 65.33 H new ATOM 0 HB2 ALA A 74 5.299 3.104 -2.098 1.00 65.33 H new ATOM 0 HB3 ALA A 74 4.012 2.052 -2.734 1.00 65.33 H new ATOM 1171 N ALA A 75 2.037 3.176 -4.681 1.00 60.13 N ATOM 1172 CA ALA A 75 1.196 2.850 -5.836 1.00 53.35 C ATOM 1173 C ALA A 75 0.586 4.111 -6.473 1.00 64.24 C ATOM 1174 O ALA A 75 0.500 4.222 -7.698 1.00 73.02 O ATOM 1175 CB ALA A 75 0.096 1.884 -5.416 1.00 51.32 C ATOM 0 H ALA A 75 1.615 2.953 -3.780 1.00 60.13 H new ATOM 0 HA ALA A 75 1.827 2.378 -6.589 1.00 53.35 H new ATOM 0 HB1 ALA A 75 -0.527 1.645 -6.278 1.00 51.32 H new ATOM 0 HB2 ALA A 75 0.544 0.970 -5.027 1.00 51.32 H new ATOM 0 HB3 ALA A 75 -0.518 2.345 -4.642 1.00 51.32 H new ATOM 1181 N LEU A 76 0.165 5.056 -5.637 1.00 12.12 N ATOM 1182 CA LEU A 76 -0.443 6.305 -6.113 1.00 63.50 C ATOM 1183 C LEU A 76 0.561 7.182 -6.877 1.00 24.30 C ATOM 1184 O LEU A 76 0.282 7.627 -7.983 1.00 54.43 O ATOM 1185 CB LEU A 76 -1.040 7.088 -4.935 1.00 11.22 C ATOM 1186 CG LEU A 76 -2.295 6.468 -4.297 1.00 72.31 C ATOM 1187 CD1 LEU A 76 -2.729 7.270 -3.074 1.00 33.23 C ATOM 1188 CD2 LEU A 76 -3.433 6.382 -5.312 1.00 4.11 C ATOM 0 H LEU A 76 0.232 4.984 -4.622 1.00 12.12 H new ATOM 0 HA LEU A 76 -1.238 6.035 -6.809 1.00 63.50 H new ATOM 0 HB2 LEU A 76 -0.275 7.191 -4.165 1.00 11.22 H new ATOM 0 HB3 LEU A 76 -1.286 8.093 -5.277 1.00 11.22 H new ATOM 0 HG LEU A 76 -2.047 5.457 -3.975 1.00 72.31 H new ATOM 0 HD11 LEU A 76 -3.618 6.815 -2.637 1.00 33.23 H new ATOM 0 HD12 LEU A 76 -1.925 7.275 -2.338 1.00 33.23 H new ATOM 0 HD13 LEU A 76 -2.954 8.294 -3.372 1.00 33.23 H new ATOM 0 HD21 LEU A 76 -4.310 5.941 -4.839 1.00 4.11 H new ATOM 0 HD22 LEU A 76 -3.678 7.382 -5.669 1.00 4.11 H new ATOM 0 HD23 LEU A 76 -3.124 5.762 -6.153 1.00 4.11 H new ATOM 1200 N GLU A 77 1.732 7.418 -6.296 1.00 72.15 N ATOM 1201 CA GLU A 77 2.757 8.253 -6.943 1.00 60.34 C ATOM 1202 C GLU A 77 3.242 7.637 -8.274 1.00 5.13 C ATOM 1203 O GLU A 77 3.714 8.347 -9.160 1.00 20.54 O ATOM 1204 CB GLU A 77 3.950 8.458 -5.992 1.00 60.34 C ATOM 1205 CG GLU A 77 3.603 9.201 -4.701 1.00 53.31 C ATOM 1206 CD GLU A 77 3.261 10.669 -4.928 1.00 3.41 C ATOM 1207 OE1 GLU A 77 2.081 10.983 -5.195 1.00 73.45 O ATOM 1208 OE2 GLU A 77 4.175 11.524 -4.827 1.00 2.02 O ATOM 0 H GLU A 77 2.001 7.049 -5.384 1.00 72.15 H new ATOM 0 HA GLU A 77 2.302 9.217 -7.170 1.00 60.34 H new ATOM 0 HB2 GLU A 77 4.368 7.484 -5.736 1.00 60.34 H new ATOM 0 HB3 GLU A 77 4.728 9.011 -6.518 1.00 60.34 H new ATOM 0 HG2 GLU A 77 2.758 8.707 -4.221 1.00 53.31 H new ATOM 0 HG3 GLU A 77 4.445 9.133 -4.012 1.00 53.31 H new ATOM 1215 N LYS A 78 3.111 6.316 -8.409 1.00 21.22 N ATOM 1216 CA LYS A 78 3.582 5.605 -9.607 1.00 22.43 C ATOM 1217 C LYS A 78 2.470 5.467 -10.672 1.00 53.23 C ATOM 1218 O LYS A 78 2.708 5.686 -11.863 1.00 24.14 O ATOM 1219 CB LYS A 78 4.123 4.219 -9.192 1.00 14.33 C ATOM 1220 CG LYS A 78 4.930 3.480 -10.268 1.00 22.21 C ATOM 1221 CD LYS A 78 4.047 2.751 -11.280 1.00 2.50 C ATOM 1222 CE LYS A 78 4.871 1.957 -12.290 1.00 10.34 C ATOM 1223 NZ LYS A 78 5.769 2.828 -13.098 1.00 14.12 N ATOM 0 H LYS A 78 2.683 5.714 -7.706 1.00 21.22 H new ATOM 0 HA LYS A 78 4.381 6.188 -10.064 1.00 22.43 H new ATOM 0 HB2 LYS A 78 4.752 4.342 -8.310 1.00 14.33 H new ATOM 0 HB3 LYS A 78 3.281 3.592 -8.898 1.00 14.33 H new ATOM 0 HG2 LYS A 78 5.563 4.194 -10.794 1.00 22.21 H new ATOM 0 HG3 LYS A 78 5.593 2.760 -9.787 1.00 22.21 H new ATOM 0 HD2 LYS A 78 3.372 2.077 -10.753 1.00 2.50 H new ATOM 0 HD3 LYS A 78 3.426 3.475 -11.808 1.00 2.50 H new ATOM 0 HE2 LYS A 78 5.468 1.213 -11.763 1.00 10.34 H new ATOM 0 HE3 LYS A 78 4.200 1.414 -12.956 1.00 10.34 H new ATOM 0 HZ1 LYS A 78 5.474 2.800 -14.095 1.00 14.12 H new ATOM 0 HZ2 LYS A 78 5.712 3.805 -12.747 1.00 14.12 H new ATOM 0 HZ3 LYS A 78 6.748 2.487 -13.017 1.00 14.12 H new ATOM 1237 N LEU A 79 1.261 5.099 -10.242 1.00 14.25 N ATOM 1238 CA LEU A 79 0.147 4.833 -11.174 1.00 31.42 C ATOM 1239 C LEU A 79 -0.859 5.998 -11.261 1.00 0.01 C ATOM 1240 O LEU A 79 -1.526 6.166 -12.283 1.00 13.13 O ATOM 1241 CB LEU A 79 -0.588 3.550 -10.755 1.00 70.21 C ATOM 1242 CG LEU A 79 0.244 2.259 -10.834 1.00 33.42 C ATOM 1243 CD1 LEU A 79 -0.557 1.063 -10.322 1.00 64.04 C ATOM 1244 CD2 LEU A 79 0.726 2.015 -12.265 1.00 40.35 C ATOM 0 H LEU A 79 1.022 4.977 -9.258 1.00 14.25 H new ATOM 0 HA LEU A 79 0.587 4.715 -12.164 1.00 31.42 H new ATOM 0 HB2 LEU A 79 -0.942 3.672 -9.731 1.00 70.21 H new ATOM 0 HB3 LEU A 79 -1.469 3.434 -11.386 1.00 70.21 H new ATOM 0 HG LEU A 79 1.118 2.379 -10.194 1.00 33.42 H new ATOM 0 HD11 LEU A 79 0.053 0.162 -10.388 1.00 64.04 H new ATOM 0 HD12 LEU A 79 -0.842 1.233 -9.284 1.00 64.04 H new ATOM 0 HD13 LEU A 79 -1.454 0.939 -10.929 1.00 64.04 H new ATOM 0 HD21 LEU A 79 1.313 1.097 -12.300 1.00 40.35 H new ATOM 0 HD22 LEU A 79 -0.134 1.921 -12.928 1.00 40.35 H new ATOM 0 HD23 LEU A 79 1.344 2.853 -12.589 1.00 40.35 H new ATOM 1256 N PHE A 80 -0.973 6.798 -10.197 1.00 73.24 N ATOM 1257 CA PHE A 80 -1.975 7.883 -10.137 1.00 3.15 C ATOM 1258 C PHE A 80 -1.377 9.215 -9.628 1.00 75.54 C ATOM 1259 O PHE A 80 -1.885 9.797 -8.663 1.00 61.44 O ATOM 1260 CB PHE A 80 -3.136 7.467 -9.213 1.00 60.25 C ATOM 1261 CG PHE A 80 -3.809 6.176 -9.604 1.00 11.55 C ATOM 1262 CD1 PHE A 80 -4.711 6.138 -10.656 1.00 3.43 C ATOM 1263 CD2 PHE A 80 -3.535 5.001 -8.920 1.00 71.53 C ATOM 1264 CE1 PHE A 80 -5.329 4.957 -11.015 1.00 24.24 C ATOM 1265 CE2 PHE A 80 -4.151 3.816 -9.275 1.00 34.11 C ATOM 1266 CZ PHE A 80 -5.046 3.795 -10.326 1.00 71.22 C ATOM 0 H PHE A 80 -0.389 6.721 -9.364 1.00 73.24 H new ATOM 0 HA PHE A 80 -2.331 8.046 -11.154 1.00 3.15 H new ATOM 0 HB2 PHE A 80 -2.758 7.372 -8.195 1.00 60.25 H new ATOM 0 HB3 PHE A 80 -3.881 8.263 -9.204 1.00 60.25 H new ATOM 0 HD1 PHE A 80 -4.933 7.043 -11.201 1.00 3.43 H new ATOM 0 HD2 PHE A 80 -2.832 5.012 -8.100 1.00 71.53 H new ATOM 0 HE1 PHE A 80 -6.033 4.942 -11.834 1.00 24.24 H new ATOM 0 HE2 PHE A 80 -3.933 2.909 -8.732 1.00 34.11 H new ATOM 0 HZ PHE A 80 -5.525 2.869 -10.609 1.00 71.22 H new ATOM 1276 N PRO A 81 -0.315 9.741 -10.280 1.00 43.41 N ATOM 1277 CA PRO A 81 0.365 10.968 -9.818 1.00 12.42 C ATOM 1278 C PRO A 81 -0.592 12.168 -9.674 1.00 40.52 C ATOM 1279 O PRO A 81 -0.460 12.971 -8.748 1.00 73.22 O ATOM 1280 CB PRO A 81 1.420 11.238 -10.909 1.00 15.43 C ATOM 1281 CG PRO A 81 1.001 10.409 -12.081 1.00 33.33 C ATOM 1282 CD PRO A 81 0.304 9.206 -11.508 1.00 12.02 C ATOM 0 HA PRO A 81 0.791 10.836 -8.823 1.00 12.42 H new ATOM 0 HB2 PRO A 81 1.455 12.296 -11.169 1.00 15.43 H new ATOM 0 HB3 PRO A 81 2.417 10.961 -10.568 1.00 15.43 H new ATOM 0 HG2 PRO A 81 0.336 10.970 -12.738 1.00 33.33 H new ATOM 0 HG3 PRO A 81 1.863 10.113 -12.678 1.00 33.33 H new ATOM 0 HD2 PRO A 81 -0.441 8.805 -12.195 1.00 12.02 H new ATOM 0 HD3 PRO A 81 1.003 8.399 -11.290 1.00 12.02 H new ATOM 1290 N ASP A 82 -1.538 12.287 -10.615 1.00 44.42 N ATOM 1291 CA ASP A 82 -2.567 13.345 -10.601 1.00 41.34 C ATOM 1292 C ASP A 82 -1.964 14.742 -10.869 1.00 54.04 C ATOM 1293 O ASP A 82 -2.675 15.748 -10.894 1.00 4.05 O ATOM 1294 CB ASP A 82 -3.334 13.323 -9.267 1.00 62.00 C ATOM 1295 CG ASP A 82 -4.704 13.968 -9.367 1.00 23.53 C ATOM 1296 OD1 ASP A 82 -5.587 13.381 -10.022 1.00 74.32 O ATOM 1297 OD2 ASP A 82 -4.907 15.053 -8.790 1.00 24.32 O ATOM 0 H ASP A 82 -1.615 11.653 -11.410 1.00 44.42 H new ATOM 0 HA ASP A 82 -3.266 13.140 -11.412 1.00 41.34 H new ATOM 0 HB2 ASP A 82 -3.446 12.291 -8.935 1.00 62.00 H new ATOM 0 HB3 ASP A 82 -2.748 13.841 -8.507 1.00 62.00 H new ATOM 1302 N THR A 83 -0.653 14.789 -11.093 1.00 73.45 N ATOM 1303 CA THR A 83 0.065 16.041 -11.369 1.00 1.40 C ATOM 1304 C THR A 83 0.490 16.115 -12.848 1.00 65.02 C ATOM 1305 O THR A 83 0.668 15.081 -13.494 1.00 41.42 O ATOM 1306 CB THR A 83 1.313 16.171 -10.456 1.00 41.11 C ATOM 1307 OG1 THR A 83 2.057 14.942 -10.459 1.00 14.20 O ATOM 1308 CG2 THR A 83 0.913 16.516 -9.024 1.00 44.53 C ATOM 0 H THR A 83 -0.054 13.963 -11.089 1.00 73.45 H new ATOM 0 HA THR A 83 -0.614 16.867 -11.158 1.00 1.40 H new ATOM 0 HB THR A 83 1.933 16.977 -10.849 1.00 41.11 H new ATOM 0 HG1 THR A 83 2.748 14.976 -9.765 1.00 14.20 H new ATOM 0 HG21 THR A 83 1.807 16.601 -8.407 1.00 44.53 H new ATOM 0 HG22 THR A 83 0.375 17.464 -9.015 1.00 44.53 H new ATOM 0 HG23 THR A 83 0.271 15.730 -8.626 1.00 44.53 H new ATOM 1316 N PRO A 84 0.652 17.335 -13.408 1.00 45.43 N ATOM 1317 CA PRO A 84 0.971 17.525 -14.844 1.00 4.44 C ATOM 1318 C PRO A 84 2.424 17.170 -15.224 1.00 4.22 C ATOM 1319 O PRO A 84 3.179 18.014 -15.717 1.00 64.14 O ATOM 1320 CB PRO A 84 0.716 19.021 -15.050 1.00 13.43 C ATOM 1321 CG PRO A 84 0.978 19.635 -13.719 1.00 11.12 C ATOM 1322 CD PRO A 84 0.517 18.627 -12.701 1.00 20.31 C ATOM 0 HA PRO A 84 0.373 16.864 -15.471 1.00 4.44 H new ATOM 0 HB2 PRO A 84 1.375 19.434 -15.813 1.00 13.43 H new ATOM 0 HB3 PRO A 84 -0.307 19.207 -15.378 1.00 13.43 H new ATOM 0 HG2 PRO A 84 2.037 19.859 -13.594 1.00 11.12 H new ATOM 0 HG3 PRO A 84 0.438 20.575 -13.610 1.00 11.12 H new ATOM 0 HD2 PRO A 84 1.130 18.657 -11.800 1.00 20.31 H new ATOM 0 HD3 PRO A 84 -0.512 18.810 -12.393 1.00 20.31 H new ATOM 1330 N LEU A 85 2.807 15.918 -15.008 1.00 34.33 N ATOM 1331 CA LEU A 85 4.136 15.426 -15.385 1.00 33.15 C ATOM 1332 C LEU A 85 4.140 13.898 -15.544 1.00 53.04 C ATOM 1333 O LEU A 85 3.147 13.226 -15.243 1.00 61.51 O ATOM 1334 CB LEU A 85 5.201 15.878 -14.360 1.00 41.22 C ATOM 1335 CG LEU A 85 4.774 15.866 -12.875 1.00 1.44 C ATOM 1336 CD1 LEU A 85 4.379 14.465 -12.419 1.00 3.11 C ATOM 1337 CD2 LEU A 85 5.887 16.428 -11.991 1.00 52.42 C ATOM 0 H LEU A 85 2.213 15.215 -14.569 1.00 34.33 H new ATOM 0 HA LEU A 85 4.390 15.860 -16.352 1.00 33.15 H new ATOM 0 HB2 LEU A 85 6.075 15.236 -14.469 1.00 41.22 H new ATOM 0 HB3 LEU A 85 5.515 16.890 -14.617 1.00 41.22 H new ATOM 0 HG LEU A 85 3.897 16.505 -12.776 1.00 1.44 H new ATOM 0 HD11 LEU A 85 4.084 14.493 -11.370 1.00 3.11 H new ATOM 0 HD12 LEU A 85 3.543 14.108 -13.021 1.00 3.11 H new ATOM 0 HD13 LEU A 85 5.227 13.791 -12.540 1.00 3.11 H new ATOM 0 HD21 LEU A 85 5.567 16.411 -10.949 1.00 52.42 H new ATOM 0 HD22 LEU A 85 6.784 15.820 -12.105 1.00 52.42 H new ATOM 0 HD23 LEU A 85 6.104 17.454 -12.288 1.00 52.42 H new ATOM 1349 N ALA A 86 5.257 13.354 -16.017 1.00 61.41 N ATOM 1350 CA ALA A 86 5.381 11.912 -16.243 1.00 14.23 C ATOM 1351 C ALA A 86 6.283 11.238 -15.192 1.00 14.13 C ATOM 1352 O ALA A 86 7.482 11.513 -15.110 1.00 41.41 O ATOM 1353 CB ALA A 86 5.910 11.645 -17.650 1.00 61.42 C ATOM 0 H ALA A 86 6.093 13.889 -16.253 1.00 61.41 H new ATOM 0 HA ALA A 86 4.387 11.476 -16.143 1.00 14.23 H new ATOM 0 HB1 ALA A 86 5.998 10.570 -17.808 1.00 61.42 H new ATOM 0 HB2 ALA A 86 5.221 12.064 -18.383 1.00 61.42 H new ATOM 0 HB3 ALA A 86 6.889 12.110 -17.765 1.00 61.42 H new ATOM 1359 N LEU A 87 5.688 10.369 -14.381 1.00 73.11 N ATOM 1360 CA LEU A 87 6.439 9.532 -13.435 1.00 41.32 C ATOM 1361 C LEU A 87 6.436 8.070 -13.914 1.00 24.42 C ATOM 1362 O LEU A 87 6.586 7.133 -13.125 1.00 71.41 O ATOM 1363 CB LEU A 87 5.817 9.639 -12.030 1.00 41.01 C ATOM 1364 CG LEU A 87 5.771 11.059 -11.438 1.00 10.44 C ATOM 1365 CD1 LEU A 87 5.167 11.047 -10.036 1.00 52.15 C ATOM 1366 CD2 LEU A 87 7.166 11.681 -11.420 1.00 15.34 C ATOM 0 H LEU A 87 4.679 10.221 -14.356 1.00 73.11 H new ATOM 0 HA LEU A 87 7.470 9.882 -13.387 1.00 41.32 H new ATOM 0 HB2 LEU A 87 4.801 9.246 -12.070 1.00 41.01 H new ATOM 0 HB3 LEU A 87 6.380 8.998 -11.351 1.00 41.01 H new ATOM 0 HG LEU A 87 5.132 11.670 -12.075 1.00 10.44 H new ATOM 0 HD11 LEU A 87 5.146 12.062 -9.640 1.00 52.15 H new ATOM 0 HD12 LEU A 87 4.151 10.654 -10.081 1.00 52.15 H new ATOM 0 HD13 LEU A 87 5.772 10.416 -9.385 1.00 52.15 H new ATOM 0 HD21 LEU A 87 7.112 12.684 -10.998 1.00 15.34 H new ATOM 0 HD22 LEU A 87 7.830 11.067 -10.812 1.00 15.34 H new ATOM 0 HD23 LEU A 87 7.553 11.736 -12.437 1.00 15.34 H new ATOM 1378 N ASP A 88 6.292 7.893 -15.226 1.00 22.22 N ATOM 1379 CA ASP A 88 6.121 6.570 -15.825 1.00 10.30 C ATOM 1380 C ASP A 88 7.466 5.839 -15.997 1.00 15.34 C ATOM 1381 O ASP A 88 8.046 5.814 -17.084 1.00 35.21 O ATOM 1382 CB ASP A 88 5.398 6.714 -17.171 1.00 24.31 C ATOM 1383 CG ASP A 88 4.879 5.393 -17.702 1.00 43.23 C ATOM 1384 OD1 ASP A 88 3.854 4.905 -17.183 1.00 43.20 O ATOM 1385 OD2 ASP A 88 5.477 4.844 -18.649 1.00 53.31 O ATOM 0 H ASP A 88 6.290 8.658 -15.901 1.00 22.22 H new ATOM 0 HA ASP A 88 5.518 5.961 -15.152 1.00 10.30 H new ATOM 0 HB2 ASP A 88 4.565 7.408 -17.059 1.00 24.31 H new ATOM 0 HB3 ASP A 88 6.080 7.151 -17.900 1.00 24.31 H new ATOM 1390 N ALA A 89 7.967 5.272 -14.905 1.00 21.51 N ATOM 1391 CA ALA A 89 9.205 4.488 -14.934 1.00 23.34 C ATOM 1392 C ALA A 89 8.905 2.981 -14.932 1.00 2.33 C ATOM 1393 O ALA A 89 8.292 2.461 -13.995 1.00 10.33 O ATOM 1394 CB ALA A 89 10.092 4.855 -13.747 1.00 64.13 C ATOM 0 H ALA A 89 7.536 5.339 -13.983 1.00 21.51 H new ATOM 0 HA ALA A 89 9.735 4.725 -15.856 1.00 23.34 H new ATOM 0 HB1 ALA A 89 11.008 4.265 -13.781 1.00 64.13 H new ATOM 0 HB2 ALA A 89 10.341 5.915 -13.793 1.00 64.13 H new ATOM 0 HB3 ALA A 89 9.561 4.647 -12.818 1.00 64.13 H new ATOM 1400 N ASN A 90 9.331 2.283 -15.983 1.00 74.05 N ATOM 1401 CA ASN A 90 9.108 0.837 -16.095 1.00 11.34 C ATOM 1402 C ASN A 90 10.255 0.040 -15.449 1.00 22.43 C ATOM 1403 O ASN A 90 11.306 0.597 -15.116 1.00 70.43 O ATOM 1404 CB ASN A 90 8.929 0.436 -17.567 1.00 52.23 C ATOM 1405 CG ASN A 90 10.099 0.862 -18.436 1.00 72.42 C ATOM 1406 OD1 ASN A 90 11.063 0.125 -18.606 1.00 52.24 O ATOM 1407 ND2 ASN A 90 10.022 2.047 -19.006 1.00 31.01 N ATOM 0 H ASN A 90 9.833 2.693 -16.771 1.00 74.05 H new ATOM 0 HA ASN A 90 8.193 0.595 -15.554 1.00 11.34 H new ATOM 0 HB2 ASN A 90 8.807 -0.645 -17.633 1.00 52.23 H new ATOM 0 HB3 ASN A 90 8.013 0.884 -17.953 1.00 52.23 H new ATOM 0 HD21 ASN A 90 10.778 2.373 -19.608 1.00 31.01 H new ATOM 0 HD22 ASN A 90 9.206 2.638 -18.845 1.00 31.01 H new ATOM 1414 N LYS A 91 10.041 -1.265 -15.277 1.00 73.35 N ATOM 1415 CA LYS A 91 11.013 -2.137 -14.592 1.00 35.43 C ATOM 1416 C LYS A 91 11.594 -3.212 -15.540 1.00 55.22 C ATOM 1417 O LYS A 91 10.812 -3.987 -16.133 1.00 38.14 O ATOM 1418 CB LYS A 91 10.384 -2.797 -13.341 1.00 72.15 C ATOM 1419 CG LYS A 91 9.173 -3.703 -13.605 1.00 14.14 C ATOM 1420 CD LYS A 91 7.922 -2.919 -14.004 1.00 63.22 C ATOM 1421 CE LYS A 91 6.740 -3.840 -14.291 1.00 44.11 C ATOM 1422 NZ LYS A 91 7.009 -4.764 -15.425 1.00 61.12 N ATOM 1423 OXT LYS A 91 12.836 -3.280 -15.675 1.00 38.14 O ATOM 0 H LYS A 91 9.203 -1.748 -15.601 1.00 73.35 H new ATOM 0 HA LYS A 91 11.839 -1.503 -14.270 1.00 35.43 H new ATOM 0 HB2 LYS A 91 11.152 -3.385 -12.838 1.00 72.15 H new ATOM 0 HB3 LYS A 91 10.082 -2.010 -12.650 1.00 72.15 H new ATOM 0 HG2 LYS A 91 9.420 -4.411 -14.396 1.00 14.14 H new ATOM 0 HG3 LYS A 91 8.960 -4.287 -12.710 1.00 14.14 H new ATOM 0 HD2 LYS A 91 7.657 -2.227 -13.205 1.00 63.22 H new ATOM 0 HD3 LYS A 91 8.137 -2.318 -14.888 1.00 63.22 H new ATOM 0 HE2 LYS A 91 6.509 -4.421 -13.398 1.00 44.11 H new ATOM 0 HE3 LYS A 91 5.859 -3.238 -14.516 1.00 44.11 H new ATOM 0 HZ1 LYS A 91 6.120 -5.211 -15.727 1.00 61.12 H new ATOM 0 HZ2 LYS A 91 7.415 -4.230 -16.219 1.00 61.12 H new ATOM 0 HZ3 LYS A 91 7.681 -5.498 -15.123 1.00 61.12 H new TER 1437 LYS A 91