USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 71 LYS NZ :NH3+ 160:sc= 0.678 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.603 K(o=1.3,f=-2.9) USER MOD Set 2.1: A 61 THR OG1 : rot -166:sc= 0.871 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.656 K(o=0.21,f=-0.81) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0264 (180deg=-0.341) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.03 (180deg=-0.0999) USER MOD Single : A 3 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.097) USER MOD Single : A 5 HIS : no HD1:sc= 0.0267 K(o=0.027,f=-1) 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= -0.0041 X(o=-0.0041,f=0) USER MOD Single : A 9 SER OG : rot 44:sc= 0.134 USER MOD Single : A 10 HIS : no HD1:sc= -0.546 X(o=-0.55,f=-0.086) USER MOD Single : A 11 MET CE :methyl -169:sc= -0.0159 (180deg=-0.215) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -143:sc= -0.243 (180deg=-0.917) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -73:sc= 0.983 USER MOD Single : A 34 THR OG1 : rot 88:sc= 0.907 USER MOD Single : A 36 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.14) USER MOD Single : A 44 TYR OH : rot -140:sc= -1.89 USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 0.0661 (180deg=0.0636) USER MOD Single : A 53 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.22) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.97 K(o=-2,f=-0.96) USER MOD Single : A 59 SER OG : rot -168:sc= 0.859 USER MOD Single : A 60 CYS SG : rot -20:sc= 0.913 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 179:sc= -0.986 USER MOD Single : A 69 THR OG1 : rot 77:sc= 1.13 USER MOD Single : A 75 GLN : amide:sc= -0.514 K(o=-0.51,f=0) USER MOD Single : A 76 ASN : amide:sc= 0.693 K(o=0.69,f=0) USER MOD Single : A 77 MET CE :methyl 163:sc= -1.92 (180deg=-2.43!) USER MOD Single : A 79 GLN : amide:sc= 0.0156 X(o=0.016,f=-0.38) USER MOD Single : A 81 TYR OH : rot 150:sc= 0.731 USER MOD Single : A 92 MET CE :methyl -165:sc= -0.0324 (180deg=-0.295) USER MOD Single : A 96 SER OG : rot -52:sc= 0.0835 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.035 22.944 -7.092 1.00 2.44 N ATOM 2 CA MET A 1 -9.796 22.463 -6.434 1.00 13.40 C ATOM 3 C MET A 1 -8.573 23.252 -6.942 1.00 2.44 C ATOM 4 O MET A 1 -7.682 23.591 -6.159 1.00 13.44 O ATOM 5 CB MET A 1 -9.599 20.930 -6.658 1.00 52.04 C ATOM 6 CG MET A 1 -9.523 20.503 -8.130 1.00 0.24 C ATOM 7 SD MET A 1 -9.077 18.773 -8.365 1.00 45.24 S ATOM 8 CE MET A 1 -7.369 18.771 -7.818 1.00 74.34 C ATOM 0 H1 MET A 1 -11.859 22.474 -6.666 1.00 2.44 H new ATOM 0 H2 MET A 1 -11.119 23.973 -6.965 1.00 2.44 H new ATOM 0 H3 MET A 1 -10.997 22.723 -8.108 1.00 2.44 H new ATOM 0 HA MET A 1 -9.894 22.633 -5.362 1.00 13.40 H new ATOM 0 HB2 MET A 1 -8.684 20.618 -6.155 1.00 52.04 H new ATOM 0 HB3 MET A 1 -10.422 20.398 -6.181 1.00 52.04 H new ATOM 0 HG2 MET A 1 -10.488 20.687 -8.602 1.00 0.24 H new ATOM 0 HG3 MET A 1 -8.793 21.129 -8.643 1.00 0.24 H new ATOM 0 HE1 MET A 1 -6.873 17.870 -8.178 1.00 74.34 H new ATOM 0 HE2 MET A 1 -6.859 19.649 -8.214 1.00 74.34 H new ATOM 0 HE3 MET A 1 -7.336 18.793 -6.729 1.00 74.34 H new ATOM 20 N GLY A 2 -8.552 23.576 -8.254 1.00 22.34 N ATOM 21 CA GLY A 2 -7.369 24.145 -8.913 1.00 42.21 C ATOM 22 C GLY A 2 -7.568 25.562 -9.442 1.00 14.13 C ATOM 23 O GLY A 2 -7.030 25.917 -10.499 1.00 2.40 O ATOM 0 H GLY A 2 -9.350 23.450 -8.876 1.00 22.34 H new ATOM 0 HA2 GLY A 2 -6.539 24.146 -8.206 1.00 42.21 H new ATOM 0 HA3 GLY A 2 -7.082 23.497 -9.741 1.00 42.21 H new ATOM 27 N HIS A 3 -8.349 26.370 -8.705 1.00 2.45 N ATOM 28 CA HIS A 3 -8.518 27.818 -8.960 1.00 32.41 C ATOM 29 C HIS A 3 -8.207 28.590 -7.663 1.00 62.33 C ATOM 30 O HIS A 3 -9.112 28.936 -6.888 1.00 33.52 O ATOM 31 CB HIS A 3 -9.955 28.159 -9.474 1.00 40.40 C ATOM 32 CG HIS A 3 -10.263 27.713 -10.885 1.00 63.34 C ATOM 33 ND1 HIS A 3 -11.539 27.417 -11.324 1.00 53.53 N ATOM 34 CD2 HIS A 3 -9.459 27.556 -11.961 1.00 23.03 C ATOM 35 CE1 HIS A 3 -11.500 27.101 -12.605 1.00 13.35 C ATOM 36 NE2 HIS A 3 -10.252 27.180 -13.011 1.00 63.42 N ATOM 0 H HIS A 3 -8.888 26.036 -7.906 1.00 2.45 H new ATOM 0 HA HIS A 3 -7.825 28.116 -9.747 1.00 32.41 H new ATOM 0 HB2 HIS A 3 -10.681 27.703 -8.801 1.00 40.40 H new ATOM 0 HB3 HIS A 3 -10.098 29.238 -9.413 1.00 40.40 H new ATOM 0 HD2 HIS A 3 -8.389 27.701 -11.987 1.00 23.03 H new ATOM 0 HE1 HIS A 3 -12.348 26.825 -13.215 1.00 13.35 H new ATOM 0 HE2 HIS A 3 -9.926 26.991 -13.959 1.00 63.42 H new ATOM 45 N HIS A 4 -6.902 28.819 -7.416 1.00 1.21 N ATOM 46 CA HIS A 4 -6.424 29.540 -6.220 1.00 63.15 C ATOM 47 C HIS A 4 -6.580 31.067 -6.404 1.00 32.44 C ATOM 48 O HIS A 4 -5.697 31.745 -6.935 1.00 61.14 O ATOM 49 CB HIS A 4 -4.970 29.102 -5.828 1.00 33.41 C ATOM 50 CG HIS A 4 -3.917 29.029 -6.931 1.00 30.44 C ATOM 51 ND1 HIS A 4 -3.227 27.872 -7.228 1.00 22.41 N ATOM 52 CD2 HIS A 4 -3.405 29.973 -7.761 1.00 60.21 C ATOM 53 CE1 HIS A 4 -2.347 28.111 -8.177 1.00 32.33 C ATOM 54 NE2 HIS A 4 -2.437 29.376 -8.522 1.00 51.31 N ATOM 0 H HIS A 4 -6.153 28.511 -8.037 1.00 1.21 H new ATOM 0 HA HIS A 4 -7.051 29.265 -5.372 1.00 63.15 H new ATOM 0 HB2 HIS A 4 -4.608 29.793 -5.067 1.00 33.41 H new ATOM 0 HB3 HIS A 4 -5.033 28.119 -5.362 1.00 33.41 H new ATOM 0 HD2 HIS A 4 -3.707 31.009 -7.812 1.00 60.21 H new ATOM 0 HE1 HIS A 4 -1.665 27.389 -8.601 1.00 32.33 H new ATOM 0 HE2 HIS A 4 -1.877 29.837 -9.239 1.00 51.31 H new ATOM 63 N HIS A 5 -7.760 31.573 -5.990 1.00 12.41 N ATOM 64 CA HIS A 5 -8.140 32.990 -6.112 1.00 74.43 C ATOM 65 C HIS A 5 -7.222 33.889 -5.250 1.00 44.41 C ATOM 66 O HIS A 5 -7.349 33.908 -4.025 1.00 64.13 O ATOM 67 CB HIS A 5 -9.652 33.173 -5.764 1.00 31.51 C ATOM 68 CG HIS A 5 -10.069 32.637 -4.405 1.00 70.01 C ATOM 69 ND1 HIS A 5 -10.364 31.305 -4.180 1.00 73.04 N ATOM 70 CD2 HIS A 5 -10.209 33.251 -3.203 1.00 64.34 C ATOM 71 CE1 HIS A 5 -10.679 31.141 -2.915 1.00 3.31 C ATOM 72 NE2 HIS A 5 -10.592 32.301 -2.298 1.00 25.01 N ATOM 0 H HIS A 5 -8.483 30.999 -5.556 1.00 12.41 H new ATOM 0 HA HIS A 5 -8.001 33.307 -7.146 1.00 74.43 H new ATOM 0 HB2 HIS A 5 -9.893 34.235 -5.808 1.00 31.51 H new ATOM 0 HB3 HIS A 5 -10.248 32.679 -6.531 1.00 31.51 H new ATOM 0 HD2 HIS A 5 -10.047 34.299 -2.999 1.00 64.34 H new ATOM 0 HE1 HIS A 5 -10.963 30.206 -2.456 1.00 3.31 H new ATOM 0 HE2 HIS A 5 -10.779 32.464 -1.309 1.00 25.01 H new ATOM 81 N HIS A 6 -6.288 34.607 -5.934 1.00 50.44 N ATOM 82 CA HIS A 6 -5.282 35.535 -5.336 1.00 61.41 C ATOM 83 C HIS A 6 -4.173 34.761 -4.585 1.00 51.25 C ATOM 84 O HIS A 6 -2.989 34.869 -4.932 1.00 53.43 O ATOM 85 CB HIS A 6 -5.911 36.619 -4.403 1.00 72.02 C ATOM 86 CG HIS A 6 -6.962 37.470 -5.065 1.00 11.03 C ATOM 87 ND1 HIS A 6 -6.672 38.633 -5.740 1.00 24.13 N ATOM 88 CD2 HIS A 6 -8.305 37.316 -5.150 1.00 11.24 C ATOM 89 CE1 HIS A 6 -7.788 39.156 -6.204 1.00 21.44 C ATOM 90 NE2 HIS A 6 -8.788 38.374 -5.859 1.00 65.11 N ATOM 0 H HIS A 6 -6.211 34.555 -6.950 1.00 50.44 H new ATOM 0 HA HIS A 6 -4.838 36.064 -6.179 1.00 61.41 H new ATOM 0 HB2 HIS A 6 -6.352 36.125 -3.537 1.00 72.02 H new ATOM 0 HB3 HIS A 6 -5.117 37.266 -4.031 1.00 72.02 H new ATOM 0 HD2 HIS A 6 -8.885 36.506 -4.733 1.00 11.24 H new ATOM 0 HE1 HIS A 6 -7.869 40.071 -6.771 1.00 21.44 H new ATOM 0 HE2 HIS A 6 -9.769 38.534 -6.086 1.00 65.11 H new ATOM 99 N HIS A 7 -4.594 34.010 -3.534 1.00 14.25 N ATOM 100 CA HIS A 7 -3.752 33.084 -2.747 1.00 24.34 C ATOM 101 C HIS A 7 -2.845 32.222 -3.657 1.00 33.20 C ATOM 102 O HIS A 7 -3.327 31.444 -4.481 1.00 52.55 O ATOM 103 CB HIS A 7 -4.671 32.176 -1.881 1.00 24.14 C ATOM 104 CG HIS A 7 -3.950 31.185 -1.005 1.00 3.14 C ATOM 105 ND1 HIS A 7 -3.597 31.461 0.293 1.00 63.34 N ATOM 106 CD2 HIS A 7 -3.532 29.918 -1.242 1.00 74.12 C ATOM 107 CE1 HIS A 7 -3.011 30.412 0.819 1.00 52.12 C ATOM 108 NE2 HIS A 7 -2.954 29.462 -0.092 1.00 24.04 N ATOM 0 H HIS A 7 -5.559 34.036 -3.205 1.00 14.25 H new ATOM 0 HA HIS A 7 -3.097 33.671 -2.104 1.00 24.34 H new ATOM 0 HB2 HIS A 7 -5.292 32.811 -1.249 1.00 24.14 H new ATOM 0 HB3 HIS A 7 -5.344 31.630 -2.543 1.00 24.14 H new ATOM 0 HD2 HIS A 7 -3.636 29.371 -2.167 1.00 74.12 H new ATOM 0 HE1 HIS A 7 -2.638 30.339 1.830 1.00 52.12 H new ATOM 0 HE2 HIS A 7 -2.545 28.537 0.040 1.00 24.04 H new ATOM 117 N HIS A 8 -1.533 32.409 -3.507 1.00 42.13 N ATOM 118 CA HIS A 8 -0.509 31.622 -4.196 1.00 53.14 C ATOM 119 C HIS A 8 -0.049 30.503 -3.250 1.00 24.21 C ATOM 120 O HIS A 8 0.523 30.784 -2.195 1.00 52.44 O ATOM 121 CB HIS A 8 0.670 32.544 -4.594 1.00 13.31 C ATOM 122 CG HIS A 8 0.268 33.686 -5.485 1.00 11.11 C ATOM 123 ND1 HIS A 8 0.134 34.979 -5.030 1.00 32.05 N ATOM 124 CD2 HIS A 8 -0.051 33.717 -6.798 1.00 45.00 C ATOM 125 CE1 HIS A 8 -0.244 35.750 -6.025 1.00 31.31 C ATOM 126 NE2 HIS A 8 -0.368 35.008 -7.107 1.00 14.05 N ATOM 0 H HIS A 8 -1.145 33.125 -2.892 1.00 42.13 H new ATOM 0 HA HIS A 8 -0.906 31.177 -5.108 1.00 53.14 H new ATOM 0 HB2 HIS A 8 1.129 32.944 -3.690 1.00 13.31 H new ATOM 0 HB3 HIS A 8 1.430 31.949 -5.101 1.00 13.31 H new ATOM 0 HD2 HIS A 8 -0.054 32.877 -7.476 1.00 45.00 H new ATOM 0 HE1 HIS A 8 -0.423 36.813 -5.966 1.00 31.31 H new ATOM 0 HE2 HIS A 8 -0.654 35.344 -8.026 1.00 14.05 H new ATOM 135 N SER A 9 -0.330 29.249 -3.624 1.00 62.40 N ATOM 136 CA SER A 9 -0.069 28.075 -2.782 1.00 2.44 C ATOM 137 C SER A 9 1.451 27.815 -2.645 1.00 74.32 C ATOM 138 O SER A 9 2.067 27.187 -3.510 1.00 44.42 O ATOM 139 CB SER A 9 -0.822 26.850 -3.369 1.00 22.04 C ATOM 140 OG SER A 9 -0.547 26.682 -4.753 1.00 53.34 O ATOM 0 H SER A 9 -0.748 29.019 -4.526 1.00 62.40 H new ATOM 0 HA SER A 9 -0.442 28.258 -1.774 1.00 2.44 H new ATOM 0 HB2 SER A 9 -0.531 25.950 -2.828 1.00 22.04 H new ATOM 0 HB3 SER A 9 -1.895 26.977 -3.223 1.00 22.04 H new ATOM 0 HG SER A 9 0.413 26.796 -4.912 1.00 53.34 H new ATOM 146 N HIS A 10 2.048 28.339 -1.556 1.00 70.44 N ATOM 147 CA HIS A 10 3.479 28.164 -1.250 1.00 5.42 C ATOM 148 C HIS A 10 3.693 27.943 0.265 1.00 51.44 C ATOM 149 O HIS A 10 4.228 28.802 0.975 1.00 4.43 O ATOM 150 CB HIS A 10 4.331 29.352 -1.819 1.00 43.42 C ATOM 151 CG HIS A 10 3.863 30.760 -1.488 1.00 1.10 C ATOM 152 ND1 HIS A 10 3.400 31.632 -2.448 1.00 5.54 N ATOM 153 CD2 HIS A 10 3.819 31.451 -0.318 1.00 15.55 C ATOM 154 CE1 HIS A 10 3.118 32.789 -1.889 1.00 22.40 C ATOM 155 NE2 HIS A 10 3.356 32.703 -0.598 1.00 65.31 N ATOM 0 H HIS A 10 1.549 28.897 -0.863 1.00 70.44 H new ATOM 0 HA HIS A 10 3.834 27.264 -1.753 1.00 5.42 H new ATOM 0 HB2 HIS A 10 5.352 29.241 -1.455 1.00 43.42 H new ATOM 0 HB3 HIS A 10 4.367 29.254 -2.904 1.00 43.42 H new ATOM 0 HD2 HIS A 10 4.099 31.077 0.656 1.00 15.55 H new ATOM 0 HE1 HIS A 10 2.752 33.664 -2.405 1.00 22.40 H new ATOM 0 HE2 HIS A 10 3.217 33.450 0.082 1.00 65.31 H new ATOM 164 N MET A 11 3.245 26.776 0.759 1.00 63.21 N ATOM 165 CA MET A 11 3.468 26.367 2.164 1.00 62.12 C ATOM 166 C MET A 11 4.906 25.855 2.344 1.00 71.12 C ATOM 167 O MET A 11 5.553 25.446 1.368 1.00 25.32 O ATOM 168 CB MET A 11 2.440 25.286 2.592 1.00 72.13 C ATOM 169 CG MET A 11 0.989 25.782 2.594 1.00 53.24 C ATOM 170 SD MET A 11 -0.189 24.547 3.184 1.00 74.15 S ATOM 171 CE MET A 11 -0.042 23.251 1.953 1.00 51.12 C ATOM 0 H MET A 11 2.724 26.095 0.207 1.00 63.21 H new ATOM 0 HA MET A 11 3.327 27.236 2.806 1.00 62.12 H new ATOM 0 HB2 MET A 11 2.522 24.433 1.919 1.00 72.13 H new ATOM 0 HB3 MET A 11 2.694 24.930 3.590 1.00 72.13 H new ATOM 0 HG2 MET A 11 0.917 26.671 3.221 1.00 53.24 H new ATOM 0 HG3 MET A 11 0.714 26.082 1.583 1.00 53.24 H new ATOM 0 HE1 MET A 11 -0.846 22.528 2.088 1.00 51.12 H new ATOM 0 HE2 MET A 11 -0.110 23.687 0.956 1.00 51.12 H new ATOM 0 HE3 MET A 11 0.919 22.750 2.065 1.00 51.12 H new ATOM 181 N GLY A 12 5.400 25.888 3.596 1.00 31.24 N ATOM 182 CA GLY A 12 6.759 25.440 3.926 1.00 31.33 C ATOM 183 C GLY A 12 6.855 23.928 4.073 1.00 3.30 C ATOM 184 O GLY A 12 7.236 23.412 5.132 1.00 74.40 O ATOM 0 H GLY A 12 4.870 26.224 4.400 1.00 31.24 H new ATOM 0 HA2 GLY A 12 7.446 25.770 3.147 1.00 31.33 H new ATOM 0 HA3 GLY A 12 7.079 25.913 4.855 1.00 31.33 H new ATOM 188 N SER A 13 6.502 23.219 2.989 1.00 64.51 N ATOM 189 CA SER A 13 6.419 21.758 2.955 1.00 53.34 C ATOM 190 C SER A 13 6.672 21.262 1.517 1.00 23.44 C ATOM 191 O SER A 13 5.851 21.490 0.618 1.00 24.13 O ATOM 192 CB SER A 13 5.031 21.283 3.456 1.00 14.10 C ATOM 193 OG SER A 13 4.788 21.673 4.804 1.00 14.14 O ATOM 0 H SER A 13 6.263 23.656 2.099 1.00 64.51 H new ATOM 0 HA SER A 13 7.179 21.341 3.616 1.00 53.34 H new ATOM 0 HB2 SER A 13 4.253 21.695 2.813 1.00 14.10 H new ATOM 0 HB3 SER A 13 4.969 20.198 3.376 1.00 14.10 H new ATOM 0 HG SER A 13 3.903 21.356 5.082 1.00 14.14 H new ATOM 199 N GLU A 14 7.831 20.619 1.314 1.00 0.11 N ATOM 200 CA GLU A 14 8.172 19.927 0.057 1.00 31.52 C ATOM 201 C GLU A 14 7.331 18.647 -0.047 1.00 41.14 C ATOM 202 O GLU A 14 6.697 18.370 -1.075 1.00 33.43 O ATOM 203 CB GLU A 14 9.688 19.586 0.039 1.00 24.25 C ATOM 204 CG GLU A 14 10.601 20.823 0.144 1.00 45.30 C ATOM 205 CD GLU A 14 12.093 20.477 0.300 1.00 42.21 C ATOM 206 OE1 GLU A 14 12.738 20.105 -0.704 1.00 3.03 O ATOM 207 OE2 GLU A 14 12.631 20.581 1.428 1.00 31.14 O ATOM 0 H GLU A 14 8.565 20.563 2.020 1.00 0.11 H new ATOM 0 HA GLU A 14 7.955 20.571 -0.795 1.00 31.52 H new ATOM 0 HB2 GLU A 14 9.910 18.910 0.865 1.00 24.25 H new ATOM 0 HB3 GLU A 14 9.920 19.051 -0.882 1.00 24.25 H new ATOM 0 HG2 GLU A 14 10.470 21.437 -0.747 1.00 45.30 H new ATOM 0 HG3 GLU A 14 10.286 21.426 0.996 1.00 45.30 H new ATOM 214 N GLU A 15 7.323 17.898 1.068 1.00 71.31 N ATOM 215 CA GLU A 15 6.620 16.616 1.210 1.00 23.42 C ATOM 216 C GLU A 15 6.378 16.338 2.705 1.00 63.45 C ATOM 217 O GLU A 15 7.120 15.590 3.352 1.00 61.11 O ATOM 218 CB GLU A 15 7.424 15.468 0.517 1.00 3.11 C ATOM 219 CG GLU A 15 8.949 15.477 0.813 1.00 44.42 C ATOM 220 CD GLU A 15 9.743 14.408 0.057 1.00 12.22 C ATOM 221 OE1 GLU A 15 10.053 14.616 -1.144 1.00 61.34 O ATOM 222 OE2 GLU A 15 10.055 13.345 0.640 1.00 22.31 O ATOM 0 H GLU A 15 7.818 18.176 1.915 1.00 71.31 H new ATOM 0 HA GLU A 15 5.652 16.665 0.711 1.00 23.42 H new ATOM 0 HB2 GLU A 15 7.011 14.510 0.834 1.00 3.11 H new ATOM 0 HB3 GLU A 15 7.276 15.538 -0.561 1.00 3.11 H new ATOM 0 HG2 GLU A 15 9.351 16.458 0.560 1.00 44.42 H new ATOM 0 HG3 GLU A 15 9.101 15.337 1.883 1.00 44.42 H new ATOM 229 N ASP A 16 5.346 16.996 3.244 1.00 1.20 N ATOM 230 CA ASP A 16 4.995 16.948 4.675 1.00 22.52 C ATOM 231 C ASP A 16 4.441 15.558 5.073 1.00 31.04 C ATOM 232 O ASP A 16 4.004 14.773 4.218 1.00 13.41 O ATOM 233 CB ASP A 16 3.965 18.074 4.972 1.00 50.42 C ATOM 234 CG ASP A 16 3.618 18.242 6.461 1.00 41.32 C ATOM 235 OD1 ASP A 16 4.467 18.766 7.215 1.00 51.34 O ATOM 236 OD2 ASP A 16 2.521 17.824 6.888 1.00 14.41 O ATOM 0 H ASP A 16 4.720 17.586 2.695 1.00 1.20 H new ATOM 0 HA ASP A 16 5.891 17.109 5.274 1.00 22.52 H new ATOM 0 HB2 ASP A 16 4.358 19.018 4.594 1.00 50.42 H new ATOM 0 HB3 ASP A 16 3.049 17.866 4.419 1.00 50.42 H new ATOM 241 N ASP A 17 4.451 15.279 6.390 1.00 24.53 N ATOM 242 CA ASP A 17 3.952 14.010 6.971 1.00 23.35 C ATOM 243 C ASP A 17 2.411 13.908 6.887 1.00 62.21 C ATOM 244 O ASP A 17 1.840 12.895 7.295 1.00 74.50 O ATOM 245 CB ASP A 17 4.431 13.852 8.446 1.00 64.40 C ATOM 246 CG ASP A 17 3.824 14.893 9.409 1.00 2.52 C ATOM 247 OD1 ASP A 17 4.383 16.001 9.531 1.00 51.24 O ATOM 248 OD2 ASP A 17 2.792 14.605 10.059 1.00 14.11 O ATOM 0 H ASP A 17 4.808 15.930 7.089 1.00 24.53 H new ATOM 0 HA ASP A 17 4.369 13.195 6.379 1.00 23.35 H new ATOM 0 HB2 ASP A 17 4.175 12.852 8.797 1.00 64.40 H new ATOM 0 HB3 ASP A 17 5.518 13.932 8.477 1.00 64.40 H new ATOM 253 N GLY A 18 1.749 14.976 6.395 1.00 51.14 N ATOM 254 CA GLY A 18 0.330 14.931 6.057 1.00 32.24 C ATOM 255 C GLY A 18 0.041 13.943 4.936 1.00 12.03 C ATOM 256 O GLY A 18 -1.016 13.296 4.931 1.00 71.40 O ATOM 0 H GLY A 18 2.187 15.881 6.226 1.00 51.14 H new ATOM 0 HA2 GLY A 18 -0.244 14.654 6.941 1.00 32.24 H new ATOM 0 HA3 GLY A 18 -0.003 15.925 5.759 1.00 32.24 H new ATOM 260 N VAL A 19 0.990 13.843 3.976 1.00 2.14 N ATOM 261 CA VAL A 19 0.989 12.808 2.932 1.00 75.34 C ATOM 262 C VAL A 19 0.957 11.411 3.591 1.00 12.24 C ATOM 263 O VAL A 19 0.049 10.624 3.349 1.00 2.34 O ATOM 264 CB VAL A 19 2.261 12.942 1.998 1.00 41.42 C ATOM 265 CG1 VAL A 19 2.373 11.760 1.008 1.00 65.20 C ATOM 266 CG2 VAL A 19 2.255 14.290 1.227 1.00 51.42 C ATOM 0 H VAL A 19 1.780 14.485 3.909 1.00 2.14 H new ATOM 0 HA VAL A 19 0.102 12.939 2.312 1.00 75.34 H new ATOM 0 HB VAL A 19 3.135 12.920 2.649 1.00 41.42 H new ATOM 0 HG11 VAL A 19 3.258 11.889 0.385 1.00 65.20 H new ATOM 0 HG12 VAL A 19 2.454 10.826 1.564 1.00 65.20 H new ATOM 0 HG13 VAL A 19 1.486 11.730 0.375 1.00 65.20 H new ATOM 0 HG21 VAL A 19 3.141 14.352 0.595 1.00 51.42 H new ATOM 0 HG22 VAL A 19 1.361 14.350 0.606 1.00 51.42 H new ATOM 0 HG23 VAL A 19 2.259 15.116 1.938 1.00 51.42 H new ATOM 276 N VAL A 20 1.933 11.190 4.482 1.00 24.54 N ATOM 277 CA VAL A 20 2.128 9.938 5.245 1.00 3.02 C ATOM 278 C VAL A 20 0.861 9.553 6.046 1.00 70.55 C ATOM 279 O VAL A 20 0.441 8.390 6.045 1.00 74.11 O ATOM 280 CB VAL A 20 3.371 10.131 6.203 1.00 4.14 C ATOM 281 CG1 VAL A 20 3.566 8.958 7.189 1.00 51.15 C ATOM 282 CG2 VAL A 20 4.655 10.366 5.361 1.00 23.33 C ATOM 0 H VAL A 20 2.634 11.897 4.703 1.00 24.54 H new ATOM 0 HA VAL A 20 2.315 9.117 4.552 1.00 3.02 H new ATOM 0 HB VAL A 20 3.170 11.010 6.816 1.00 4.14 H new ATOM 0 HG11 VAL A 20 4.435 9.152 7.818 1.00 51.15 H new ATOM 0 HG12 VAL A 20 2.680 8.858 7.816 1.00 51.15 H new ATOM 0 HG13 VAL A 20 3.721 8.035 6.630 1.00 51.15 H new ATOM 0 HG21 VAL A 20 5.508 10.498 6.027 1.00 23.33 H new ATOM 0 HG22 VAL A 20 4.829 9.505 4.715 1.00 23.33 H new ATOM 0 HG23 VAL A 20 4.530 11.259 4.749 1.00 23.33 H new ATOM 292 N ALA A 21 0.246 10.575 6.670 1.00 65.15 N ATOM 293 CA ALA A 21 -0.942 10.429 7.524 1.00 52.12 C ATOM 294 C ALA A 21 -2.148 9.923 6.720 1.00 24.10 C ATOM 295 O ALA A 21 -2.832 8.979 7.138 1.00 14.44 O ATOM 296 CB ALA A 21 -1.265 11.772 8.206 1.00 42.11 C ATOM 0 H ALA A 21 0.568 11.540 6.592 1.00 65.15 H new ATOM 0 HA ALA A 21 -0.725 9.686 8.291 1.00 52.12 H new ATOM 0 HB1 ALA A 21 -2.146 11.657 8.837 1.00 42.11 H new ATOM 0 HB2 ALA A 21 -0.418 12.082 8.818 1.00 42.11 H new ATOM 0 HB3 ALA A 21 -1.460 12.529 7.446 1.00 42.11 H new ATOM 302 N MET A 22 -2.393 10.548 5.551 1.00 14.14 N ATOM 303 CA MET A 22 -3.549 10.204 4.708 1.00 44.32 C ATOM 304 C MET A 22 -3.316 8.899 3.927 1.00 14.50 C ATOM 305 O MET A 22 -4.287 8.266 3.523 1.00 70.11 O ATOM 306 CB MET A 22 -3.933 11.351 3.742 1.00 20.44 C ATOM 307 CG MET A 22 -2.924 11.656 2.633 1.00 73.33 C ATOM 308 SD MET A 22 -3.565 12.835 1.428 1.00 20.22 S ATOM 309 CE MET A 22 -4.974 11.947 0.748 1.00 60.12 C ATOM 0 H MET A 22 -1.806 11.291 5.172 1.00 14.14 H new ATOM 0 HA MET A 22 -4.387 10.050 5.388 1.00 44.32 H new ATOM 0 HB2 MET A 22 -4.889 11.106 3.279 1.00 20.44 H new ATOM 0 HB3 MET A 22 -4.085 12.258 4.328 1.00 20.44 H new ATOM 0 HG2 MET A 22 -2.010 12.053 3.076 1.00 73.33 H new ATOM 0 HG3 MET A 22 -2.656 10.730 2.124 1.00 73.33 H new ATOM 0 HE1 MET A 22 -5.056 12.156 -0.319 1.00 60.12 H new ATOM 0 HE2 MET A 22 -4.836 10.876 0.898 1.00 60.12 H new ATOM 0 HE3 MET A 22 -5.885 12.270 1.252 1.00 60.12 H new ATOM 319 N ILE A 23 -2.031 8.507 3.706 1.00 72.15 N ATOM 320 CA ILE A 23 -1.702 7.187 3.129 1.00 22.04 C ATOM 321 C ILE A 23 -2.191 6.100 4.100 1.00 0.54 C ATOM 322 O ILE A 23 -2.895 5.189 3.684 1.00 51.22 O ATOM 323 CB ILE A 23 -0.155 6.990 2.828 1.00 32.31 C ATOM 324 CG1 ILE A 23 0.351 7.978 1.730 1.00 63.31 C ATOM 325 CG2 ILE A 23 0.156 5.529 2.407 1.00 24.21 C ATOM 326 CD1 ILE A 23 1.860 7.937 1.466 1.00 32.42 C ATOM 0 H ILE A 23 -1.218 9.085 3.919 1.00 72.15 H new ATOM 0 HA ILE A 23 -2.204 7.115 2.164 1.00 22.04 H new ATOM 0 HB ILE A 23 0.376 7.208 3.755 1.00 32.31 H new ATOM 0 HG12 ILE A 23 -0.171 7.760 0.798 1.00 63.31 H new ATOM 0 HG13 ILE A 23 0.076 8.992 2.020 1.00 63.31 H new ATOM 0 HG21 ILE A 23 1.223 5.427 2.208 1.00 24.21 H new ATOM 0 HG22 ILE A 23 -0.130 4.850 3.210 1.00 24.21 H new ATOM 0 HG23 ILE A 23 -0.406 5.282 1.506 1.00 24.21 H new ATOM 0 HD11 ILE A 23 2.113 8.658 0.688 1.00 32.42 H new ATOM 0 HD12 ILE A 23 2.396 8.187 2.381 1.00 32.42 H new ATOM 0 HD13 ILE A 23 2.145 6.937 1.140 1.00 32.42 H new ATOM 338 N LYS A 24 -1.836 6.245 5.402 1.00 61.20 N ATOM 339 CA LYS A 24 -2.278 5.329 6.481 1.00 14.34 C ATOM 340 C LYS A 24 -3.809 5.155 6.484 1.00 21.21 C ATOM 341 O LYS A 24 -4.307 4.040 6.637 1.00 1.43 O ATOM 342 CB LYS A 24 -1.835 5.855 7.867 1.00 11.13 C ATOM 343 CG LYS A 24 -0.321 5.956 8.081 1.00 51.10 C ATOM 344 CD LYS A 24 0.021 6.563 9.465 1.00 11.00 C ATOM 345 CE LYS A 24 1.523 6.684 9.719 1.00 3.33 C ATOM 346 NZ LYS A 24 1.810 7.366 11.002 1.00 32.22 N ATOM 0 H LYS A 24 -1.235 7.001 5.732 1.00 61.20 H new ATOM 0 HA LYS A 24 -1.810 4.364 6.287 1.00 14.34 H new ATOM 0 HB2 LYS A 24 -2.272 6.842 8.019 1.00 11.13 H new ATOM 0 HB3 LYS A 24 -2.250 5.201 8.634 1.00 11.13 H new ATOM 0 HG2 LYS A 24 0.126 4.965 7.997 1.00 51.10 H new ATOM 0 HG3 LYS A 24 0.118 6.571 7.295 1.00 51.10 H new ATOM 0 HD2 LYS A 24 -0.434 7.550 9.543 1.00 11.00 H new ATOM 0 HD3 LYS A 24 -0.423 5.945 10.245 1.00 11.00 H new ATOM 0 HE2 LYS A 24 1.972 5.691 9.727 1.00 3.33 H new ATOM 0 HE3 LYS A 24 1.987 7.237 8.902 1.00 3.33 H new ATOM 0 HZ1 LYS A 24 2.839 7.429 11.139 1.00 32.22 H new ATOM 0 HZ2 LYS A 24 1.404 8.323 10.985 1.00 32.22 H new ATOM 0 HZ3 LYS A 24 1.389 6.825 11.784 1.00 32.22 H new ATOM 360 N GLU A 25 -4.530 6.280 6.317 1.00 71.13 N ATOM 361 CA GLU A 25 -5.995 6.295 6.265 1.00 11.42 C ATOM 362 C GLU A 25 -6.495 5.506 5.037 1.00 53.52 C ATOM 363 O GLU A 25 -7.302 4.585 5.184 1.00 1.42 O ATOM 364 CB GLU A 25 -6.510 7.755 6.229 1.00 63.43 C ATOM 365 CG GLU A 25 -8.047 7.880 6.252 1.00 73.11 C ATOM 366 CD GLU A 25 -8.542 9.335 6.229 1.00 4.14 C ATOM 367 OE1 GLU A 25 -8.392 10.042 7.247 1.00 74.33 O ATOM 368 OE2 GLU A 25 -9.063 9.789 5.188 1.00 25.11 O ATOM 0 H GLU A 25 -4.108 7.203 6.215 1.00 71.13 H new ATOM 0 HA GLU A 25 -6.387 5.813 7.161 1.00 11.42 H new ATOM 0 HB2 GLU A 25 -6.099 8.295 7.082 1.00 63.43 H new ATOM 0 HB3 GLU A 25 -6.130 8.241 5.331 1.00 63.43 H new ATOM 0 HG2 GLU A 25 -8.460 7.350 5.394 1.00 73.11 H new ATOM 0 HG3 GLU A 25 -8.431 7.388 7.146 1.00 73.11 H new ATOM 375 N LEU A 26 -5.951 5.850 3.842 1.00 31.43 N ATOM 376 CA LEU A 26 -6.329 5.223 2.551 1.00 22.21 C ATOM 377 C LEU A 26 -6.064 3.699 2.564 1.00 25.34 C ATOM 378 O LEU A 26 -6.777 2.944 1.925 1.00 24.20 O ATOM 379 CB LEU A 26 -5.549 5.877 1.364 1.00 64.24 C ATOM 380 CG LEU A 26 -5.906 7.355 0.998 1.00 32.21 C ATOM 381 CD1 LEU A 26 -4.962 7.904 -0.092 1.00 25.00 C ATOM 382 CD2 LEU A 26 -7.372 7.481 0.550 1.00 73.14 C ATOM 0 H LEU A 26 -5.236 6.572 3.747 1.00 31.43 H new ATOM 0 HA LEU A 26 -7.397 5.390 2.413 1.00 22.21 H new ATOM 0 HB2 LEU A 26 -4.485 5.835 1.596 1.00 64.24 H new ATOM 0 HB3 LEU A 26 -5.707 5.263 0.478 1.00 64.24 H new ATOM 0 HG LEU A 26 -5.773 7.954 1.899 1.00 32.21 H new ATOM 0 HD11 LEU A 26 -5.235 8.933 -0.325 1.00 25.00 H new ATOM 0 HD12 LEU A 26 -3.934 7.874 0.268 1.00 25.00 H new ATOM 0 HD13 LEU A 26 -5.049 7.293 -0.990 1.00 25.00 H new ATOM 0 HD21 LEU A 26 -7.589 8.520 0.303 1.00 73.14 H new ATOM 0 HD22 LEU A 26 -7.539 6.857 -0.328 1.00 73.14 H new ATOM 0 HD23 LEU A 26 -8.028 7.156 1.357 1.00 73.14 H new ATOM 394 N LEU A 27 -5.024 3.266 3.288 1.00 54.10 N ATOM 395 CA LEU A 27 -4.711 1.844 3.447 1.00 33.15 C ATOM 396 C LEU A 27 -5.769 1.194 4.353 1.00 73.52 C ATOM 397 O LEU A 27 -6.475 0.287 3.941 1.00 3.22 O ATOM 398 CB LEU A 27 -3.296 1.650 4.050 1.00 0.11 C ATOM 399 CG LEU A 27 -2.096 2.193 3.209 1.00 1.20 C ATOM 400 CD1 LEU A 27 -0.781 2.076 3.987 1.00 62.12 C ATOM 401 CD2 LEU A 27 -1.990 1.487 1.846 1.00 23.22 C ATOM 0 H LEU A 27 -4.381 3.889 3.776 1.00 54.10 H new ATOM 0 HA LEU A 27 -4.723 1.367 2.467 1.00 33.15 H new ATOM 0 HB2 LEU A 27 -3.273 2.133 5.027 1.00 0.11 H new ATOM 0 HB3 LEU A 27 -3.140 0.584 4.217 1.00 0.11 H new ATOM 0 HG LEU A 27 -2.286 3.249 3.018 1.00 1.20 H new ATOM 0 HD11 LEU A 27 0.037 2.461 3.378 1.00 62.12 H new ATOM 0 HD12 LEU A 27 -0.851 2.654 4.909 1.00 62.12 H new ATOM 0 HD13 LEU A 27 -0.593 1.030 4.228 1.00 62.12 H new ATOM 0 HD21 LEU A 27 -1.144 1.892 1.291 1.00 23.22 H new ATOM 0 HD22 LEU A 27 -1.844 0.418 2.000 1.00 23.22 H new ATOM 0 HD23 LEU A 27 -2.907 1.650 1.280 1.00 23.22 H new ATOM 413 N ASP A 28 -5.913 1.752 5.560 1.00 24.12 N ATOM 414 CA ASP A 28 -6.696 1.159 6.667 1.00 71.25 C ATOM 415 C ASP A 28 -8.188 0.996 6.320 1.00 11.41 C ATOM 416 O ASP A 28 -8.855 0.079 6.817 1.00 13.23 O ATOM 417 CB ASP A 28 -6.507 2.031 7.936 1.00 2.14 C ATOM 418 CG ASP A 28 -7.066 1.407 9.225 1.00 4.22 C ATOM 419 OD1 ASP A 28 -6.453 0.443 9.735 1.00 50.22 O ATOM 420 OD2 ASP A 28 -8.101 1.884 9.745 1.00 75.42 O ATOM 0 H ASP A 28 -5.484 2.644 5.806 1.00 24.12 H new ATOM 0 HA ASP A 28 -6.323 0.151 6.850 1.00 71.25 H new ATOM 0 HB2 ASP A 28 -5.443 2.226 8.073 1.00 2.14 H new ATOM 0 HB3 ASP A 28 -6.989 2.995 7.775 1.00 2.14 H new ATOM 425 N THR A 29 -8.695 1.882 5.455 1.00 14.42 N ATOM 426 CA THR A 29 -10.116 1.907 5.072 1.00 30.50 C ATOM 427 C THR A 29 -10.377 1.234 3.705 1.00 23.11 C ATOM 428 O THR A 29 -11.490 0.768 3.451 1.00 64.41 O ATOM 429 CB THR A 29 -10.641 3.374 5.043 1.00 15.54 C ATOM 430 OG1 THR A 29 -9.879 4.142 4.099 1.00 33.10 O ATOM 431 CG2 THR A 29 -10.548 4.043 6.431 1.00 35.33 C ATOM 0 H THR A 29 -8.134 2.602 5.000 1.00 14.42 H new ATOM 0 HA THR A 29 -10.655 1.333 5.826 1.00 30.50 H new ATOM 0 HB THR A 29 -11.690 3.344 4.749 1.00 15.54 H new ATOM 0 HG1 THR A 29 -8.988 4.320 4.466 1.00 33.10 H new ATOM 0 HG21 THR A 29 -10.924 5.064 6.369 1.00 35.33 H new ATOM 0 HG22 THR A 29 -11.146 3.480 7.147 1.00 35.33 H new ATOM 0 HG23 THR A 29 -9.509 4.058 6.759 1.00 35.33 H new ATOM 439 N ARG A 30 -9.353 1.184 2.820 1.00 4.42 N ATOM 440 CA ARG A 30 -9.525 0.705 1.422 1.00 20.31 C ATOM 441 C ARG A 30 -8.675 -0.546 1.145 1.00 24.05 C ATOM 442 O ARG A 30 -9.205 -1.601 0.783 1.00 23.41 O ATOM 443 CB ARG A 30 -9.147 1.816 0.408 1.00 73.23 C ATOM 444 CG ARG A 30 -9.857 3.171 0.616 1.00 71.41 C ATOM 445 CD ARG A 30 -9.367 4.250 -0.356 1.00 61.54 C ATOM 446 NE ARG A 30 -9.573 3.875 -1.769 1.00 1.43 N ATOM 447 CZ ARG A 30 -10.065 4.683 -2.718 1.00 3.54 C ATOM 448 NH1 ARG A 30 -10.406 5.940 -2.433 1.00 62.51 N ATOM 449 NH2 ARG A 30 -10.205 4.226 -3.944 1.00 64.14 N ATOM 0 H ARG A 30 -8.400 1.468 3.046 1.00 4.42 H new ATOM 0 HA ARG A 30 -10.577 0.446 1.300 1.00 20.31 H new ATOM 0 HB2 ARG A 30 -8.070 1.978 0.457 1.00 73.23 H new ATOM 0 HB3 ARG A 30 -9.370 1.458 -0.597 1.00 73.23 H new ATOM 0 HG2 ARG A 30 -10.932 3.037 0.492 1.00 71.41 H new ATOM 0 HG3 ARG A 30 -9.694 3.509 1.640 1.00 71.41 H new ATOM 0 HD2 ARG A 30 -9.891 5.184 -0.151 1.00 61.54 H new ATOM 0 HD3 ARG A 30 -8.307 4.435 -0.184 1.00 61.54 H new ATOM 0 HE ARG A 30 -9.321 2.926 -2.045 1.00 1.43 H new ATOM 0 HH11 ARG A 30 -10.293 6.296 -1.484 1.00 62.51 H new ATOM 0 HH12 ARG A 30 -10.779 6.545 -3.164 1.00 62.51 H new ATOM 0 HH21 ARG A 30 -9.940 3.266 -4.164 1.00 64.14 H new ATOM 0 HH22 ARG A 30 -10.578 4.832 -4.675 1.00 64.14 H new ATOM 463 N ILE A 31 -7.350 -0.428 1.358 1.00 24.22 N ATOM 464 CA ILE A 31 -6.371 -1.447 0.934 1.00 14.53 C ATOM 465 C ILE A 31 -6.366 -2.645 1.899 1.00 2.11 C ATOM 466 O ILE A 31 -6.638 -3.758 1.473 1.00 61.03 O ATOM 467 CB ILE A 31 -4.928 -0.835 0.827 1.00 23.31 C ATOM 468 CG1 ILE A 31 -4.894 0.371 -0.170 1.00 0.24 C ATOM 469 CG2 ILE A 31 -3.876 -1.902 0.439 1.00 21.43 C ATOM 470 CD1 ILE A 31 -5.198 0.030 -1.613 1.00 23.43 C ATOM 0 H ILE A 31 -6.930 0.374 1.827 1.00 24.22 H new ATOM 0 HA ILE A 31 -6.672 -1.798 -0.053 1.00 14.53 H new ATOM 0 HB ILE A 31 -4.666 -0.462 1.817 1.00 23.31 H new ATOM 0 HG12 ILE A 31 -5.611 1.120 0.167 1.00 0.24 H new ATOM 0 HG13 ILE A 31 -3.907 0.831 -0.123 1.00 0.24 H new ATOM 0 HG21 ILE A 31 -2.892 -1.437 0.376 1.00 21.43 H new ATOM 0 HG22 ILE A 31 -3.858 -2.687 1.195 1.00 21.43 H new ATOM 0 HG23 ILE A 31 -4.136 -2.334 -0.527 1.00 21.43 H new ATOM 0 HD11 ILE A 31 -5.148 0.935 -2.219 1.00 23.43 H new ATOM 0 HD12 ILE A 31 -4.467 -0.692 -1.978 1.00 23.43 H new ATOM 0 HD13 ILE A 31 -6.198 -0.399 -1.683 1.00 23.43 H new ATOM 482 N ARG A 32 -6.052 -2.388 3.198 1.00 32.42 N ATOM 483 CA ARG A 32 -5.961 -3.429 4.251 1.00 34.25 C ATOM 484 C ARG A 32 -7.196 -4.384 4.242 1.00 65.33 C ATOM 485 O ARG A 32 -6.967 -5.583 4.172 1.00 61.13 O ATOM 486 CB ARG A 32 -5.741 -2.825 5.677 1.00 32.15 C ATOM 487 CG ARG A 32 -4.497 -1.921 5.808 1.00 70.24 C ATOM 488 CD ARG A 32 -4.215 -1.471 7.250 1.00 63.12 C ATOM 489 NE ARG A 32 -3.689 -2.564 8.086 1.00 3.24 N ATOM 490 CZ ARG A 32 -3.419 -2.475 9.398 1.00 44.21 C ATOM 491 NH1 ARG A 32 -3.630 -1.345 10.082 1.00 71.34 N ATOM 492 NH2 ARG A 32 -2.926 -3.529 10.025 1.00 23.21 N ATOM 0 H ARG A 32 -5.855 -1.448 3.542 1.00 32.42 H new ATOM 0 HA ARG A 32 -5.078 -4.020 4.008 1.00 34.25 H new ATOM 0 HB2 ARG A 32 -6.624 -2.248 5.953 1.00 32.15 H new ATOM 0 HB3 ARG A 32 -5.657 -3.642 6.394 1.00 32.15 H new ATOM 0 HG2 ARG A 32 -3.627 -2.456 5.426 1.00 70.24 H new ATOM 0 HG3 ARG A 32 -4.630 -1.040 5.180 1.00 70.24 H new ATOM 0 HD2 ARG A 32 -3.499 -0.649 7.238 1.00 63.12 H new ATOM 0 HD3 ARG A 32 -5.133 -1.087 7.694 1.00 63.12 H new ATOM 0 HE ARG A 32 -3.516 -3.461 7.631 1.00 3.24 H new ATOM 0 HH11 ARG A 32 -4.005 -0.524 9.607 1.00 71.34 H new ATOM 0 HH12 ARG A 32 -3.416 -1.305 11.079 1.00 71.34 H new ATOM 0 HH21 ARG A 32 -2.756 -4.394 9.512 1.00 23.21 H new ATOM 0 HH22 ARG A 32 -2.716 -3.477 11.022 1.00 23.21 H new ATOM 506 N PRO A 33 -8.510 -3.887 4.270 1.00 12.45 N ATOM 507 CA PRO A 33 -9.709 -4.777 4.187 1.00 21.23 C ATOM 508 C PRO A 33 -9.692 -5.706 2.944 1.00 61.04 C ATOM 509 O PRO A 33 -10.059 -6.871 3.054 1.00 5.33 O ATOM 510 CB PRO A 33 -10.920 -3.787 4.172 1.00 32.20 C ATOM 511 CG PRO A 33 -10.333 -2.450 3.848 1.00 62.32 C ATOM 512 CD PRO A 33 -8.939 -2.464 4.433 1.00 64.23 C ATOM 0 HA PRO A 33 -9.752 -5.474 5.024 1.00 21.23 H new ATOM 0 HB2 PRO A 33 -11.660 -4.082 3.428 1.00 32.20 H new ATOM 0 HB3 PRO A 33 -11.427 -3.771 5.137 1.00 32.20 H new ATOM 0 HG2 PRO A 33 -10.304 -2.285 2.771 1.00 62.32 H new ATOM 0 HG3 PRO A 33 -10.930 -1.646 4.277 1.00 62.32 H new ATOM 0 HD2 PRO A 33 -8.274 -1.781 3.904 1.00 64.23 H new ATOM 0 HD3 PRO A 33 -8.939 -2.162 5.480 1.00 64.23 H new ATOM 520 N THR A 34 -9.228 -5.177 1.788 1.00 21.35 N ATOM 521 CA THR A 34 -9.126 -5.946 0.523 1.00 51.22 C ATOM 522 C THR A 34 -8.117 -7.111 0.666 1.00 73.41 C ATOM 523 O THR A 34 -8.401 -8.254 0.277 1.00 13.32 O ATOM 524 CB THR A 34 -8.709 -5.000 -0.665 1.00 64.22 C ATOM 525 OG1 THR A 34 -9.658 -3.928 -0.774 1.00 62.14 O ATOM 526 CG2 THR A 34 -8.628 -5.733 -2.019 1.00 30.13 C ATOM 0 H THR A 34 -8.915 -4.210 1.705 1.00 21.35 H new ATOM 0 HA THR A 34 -10.106 -6.369 0.303 1.00 51.22 H new ATOM 0 HB THR A 34 -7.712 -4.624 -0.437 1.00 64.22 H new ATOM 0 HG1 THR A 34 -9.387 -3.191 -0.188 1.00 62.14 H new ATOM 0 HG21 THR A 34 -8.336 -5.028 -2.797 1.00 30.13 H new ATOM 0 HG22 THR A 34 -7.889 -6.531 -1.957 1.00 30.13 H new ATOM 0 HG23 THR A 34 -9.602 -6.158 -2.261 1.00 30.13 H new ATOM 534 N VAL A 35 -6.945 -6.796 1.243 1.00 60.33 N ATOM 535 CA VAL A 35 -5.850 -7.769 1.447 1.00 11.12 C ATOM 536 C VAL A 35 -6.237 -8.804 2.533 1.00 23.53 C ATOM 537 O VAL A 35 -5.850 -9.974 2.458 1.00 13.11 O ATOM 538 CB VAL A 35 -4.492 -7.053 1.830 1.00 11.10 C ATOM 539 CG1 VAL A 35 -3.294 -8.022 1.700 1.00 31.01 C ATOM 540 CG2 VAL A 35 -4.258 -5.806 0.958 1.00 62.54 C ATOM 0 H VAL A 35 -6.727 -5.859 1.583 1.00 60.33 H new ATOM 0 HA VAL A 35 -5.695 -8.289 0.501 1.00 11.12 H new ATOM 0 HB VAL A 35 -4.572 -6.739 2.871 1.00 11.10 H new ATOM 0 HG11 VAL A 35 -2.375 -7.502 1.970 1.00 31.01 H new ATOM 0 HG12 VAL A 35 -3.439 -8.872 2.367 1.00 31.01 H new ATOM 0 HG13 VAL A 35 -3.222 -8.376 0.672 1.00 31.01 H new ATOM 0 HG21 VAL A 35 -3.318 -5.334 1.243 1.00 62.54 H new ATOM 0 HG22 VAL A 35 -4.214 -6.099 -0.091 1.00 62.54 H new ATOM 0 HG23 VAL A 35 -5.077 -5.101 1.104 1.00 62.54 H new ATOM 550 N GLN A 36 -7.037 -8.361 3.525 1.00 5.23 N ATOM 551 CA GLN A 36 -7.532 -9.226 4.619 1.00 61.22 C ATOM 552 C GLN A 36 -8.625 -10.181 4.106 1.00 2.33 C ATOM 553 O GLN A 36 -8.748 -11.304 4.602 1.00 31.24 O ATOM 554 CB GLN A 36 -8.030 -8.383 5.830 1.00 34.01 C ATOM 555 CG GLN A 36 -6.912 -7.576 6.536 1.00 30.24 C ATOM 556 CD GLN A 36 -7.396 -6.687 7.690 1.00 55.11 C ATOM 557 OE1 GLN A 36 -8.344 -7.022 8.399 1.00 42.33 O ATOM 558 NE2 GLN A 36 -6.760 -5.535 7.878 1.00 22.52 N ATOM 0 H GLN A 36 -7.358 -7.395 3.591 1.00 5.23 H new ATOM 0 HA GLN A 36 -6.698 -9.832 4.973 1.00 61.22 H new ATOM 0 HB2 GLN A 36 -8.801 -7.693 5.487 1.00 34.01 H new ATOM 0 HB3 GLN A 36 -8.497 -9.049 6.556 1.00 34.01 H new ATOM 0 HG2 GLN A 36 -6.166 -8.272 6.920 1.00 30.24 H new ATOM 0 HG3 GLN A 36 -6.413 -6.949 5.797 1.00 30.24 H new ATOM 0 HE21 GLN A 36 -5.977 -5.281 7.276 1.00 22.52 H new ATOM 0 HE22 GLN A 36 -7.055 -4.905 8.624 1.00 22.52 H new ATOM 567 N GLU A 37 -9.397 -9.729 3.099 1.00 23.53 N ATOM 568 CA GLU A 37 -10.352 -10.588 2.381 1.00 64.02 C ATOM 569 C GLU A 37 -9.598 -11.623 1.525 1.00 4.42 C ATOM 570 O GLU A 37 -10.063 -12.755 1.348 1.00 24.54 O ATOM 571 CB GLU A 37 -11.318 -9.740 1.505 1.00 4.43 C ATOM 572 CG GLU A 37 -12.353 -8.921 2.306 1.00 33.33 C ATOM 573 CD GLU A 37 -13.226 -9.808 3.210 1.00 44.24 C ATOM 574 OE1 GLU A 37 -14.030 -10.609 2.678 1.00 61.51 O ATOM 575 OE2 GLU A 37 -13.094 -9.743 4.457 1.00 52.35 O ATOM 0 H GLU A 37 -9.375 -8.766 2.764 1.00 23.53 H new ATOM 0 HA GLU A 37 -10.955 -11.121 3.116 1.00 64.02 H new ATOM 0 HB2 GLU A 37 -10.729 -9.058 0.892 1.00 4.43 H new ATOM 0 HB3 GLU A 37 -11.848 -10.405 0.823 1.00 4.43 H new ATOM 0 HG2 GLU A 37 -11.834 -8.182 2.917 1.00 33.33 H new ATOM 0 HG3 GLU A 37 -12.991 -8.371 1.615 1.00 33.33 H new ATOM 582 N ASP A 38 -8.427 -11.212 1.002 1.00 35.12 N ATOM 583 CA ASP A 38 -7.502 -12.103 0.276 1.00 62.40 C ATOM 584 C ASP A 38 -6.807 -13.086 1.247 1.00 61.02 C ATOM 585 O ASP A 38 -6.393 -14.175 0.847 1.00 73.34 O ATOM 586 CB ASP A 38 -6.459 -11.233 -0.483 1.00 63.20 C ATOM 587 CG ASP A 38 -5.355 -12.042 -1.180 1.00 4.33 C ATOM 588 OD1 ASP A 38 -5.649 -12.684 -2.207 1.00 61.32 O ATOM 589 OD2 ASP A 38 -4.192 -12.048 -0.706 1.00 13.14 O ATOM 0 H ASP A 38 -8.095 -10.250 1.071 1.00 35.12 H new ATOM 0 HA ASP A 38 -8.062 -12.702 -0.442 1.00 62.40 H new ATOM 0 HB2 ASP A 38 -6.978 -10.630 -1.228 1.00 63.20 H new ATOM 0 HB3 ASP A 38 -5.998 -10.541 0.222 1.00 63.20 H new ATOM 594 N GLY A 39 -6.736 -12.715 2.535 1.00 32.11 N ATOM 595 CA GLY A 39 -6.156 -13.569 3.577 1.00 75.43 C ATOM 596 C GLY A 39 -4.983 -12.907 4.287 1.00 14.32 C ATOM 597 O GLY A 39 -4.698 -13.219 5.448 1.00 54.31 O ATOM 0 H GLY A 39 -7.078 -11.818 2.880 1.00 32.11 H new ATOM 0 HA2 GLY A 39 -6.925 -13.818 4.308 1.00 75.43 H new ATOM 0 HA3 GLY A 39 -5.824 -14.507 3.131 1.00 75.43 H new ATOM 601 N GLY A 40 -4.294 -11.994 3.578 1.00 51.14 N ATOM 602 CA GLY A 40 -3.119 -11.292 4.115 1.00 72.45 C ATOM 603 C GLY A 40 -3.469 -9.985 4.814 1.00 1.34 C ATOM 604 O GLY A 40 -4.531 -9.877 5.422 1.00 72.30 O ATOM 0 H GLY A 40 -4.535 -11.725 2.624 1.00 51.14 H new ATOM 0 HA2 GLY A 40 -2.603 -11.946 4.818 1.00 72.45 H new ATOM 0 HA3 GLY A 40 -2.423 -11.087 3.301 1.00 72.45 H new ATOM 608 N ASP A 41 -2.543 -9.015 4.738 1.00 13.22 N ATOM 609 CA ASP A 41 -2.715 -7.645 5.279 1.00 12.30 C ATOM 610 C ASP A 41 -1.491 -6.792 4.869 1.00 72.52 C ATOM 611 O ASP A 41 -0.428 -7.345 4.544 1.00 53.41 O ATOM 612 CB ASP A 41 -2.884 -7.666 6.828 1.00 31.31 C ATOM 613 CG ASP A 41 -3.096 -6.273 7.462 1.00 64.35 C ATOM 614 OD1 ASP A 41 -3.934 -5.495 6.961 1.00 24.31 O ATOM 615 OD2 ASP A 41 -2.436 -5.956 8.475 1.00 32.50 O ATOM 0 H ASP A 41 -1.637 -9.157 4.293 1.00 13.22 H new ATOM 0 HA ASP A 41 -3.623 -7.206 4.865 1.00 12.30 H new ATOM 0 HB2 ASP A 41 -3.733 -8.301 7.081 1.00 31.31 H new ATOM 0 HB3 ASP A 41 -2.000 -8.124 7.272 1.00 31.31 H new ATOM 620 N VAL A 42 -1.657 -5.454 4.885 1.00 31.50 N ATOM 621 CA VAL A 42 -0.576 -4.501 4.589 1.00 53.23 C ATOM 622 C VAL A 42 -0.407 -3.558 5.798 1.00 21.13 C ATOM 623 O VAL A 42 -1.376 -2.977 6.297 1.00 65.43 O ATOM 624 CB VAL A 42 -0.816 -3.679 3.259 1.00 13.35 C ATOM 625 CG1 VAL A 42 -0.836 -4.607 2.023 1.00 71.41 C ATOM 626 CG2 VAL A 42 -2.104 -2.834 3.316 1.00 14.35 C ATOM 0 H VAL A 42 -2.547 -5.006 5.104 1.00 31.50 H new ATOM 0 HA VAL A 42 0.338 -5.070 4.419 1.00 53.23 H new ATOM 0 HB VAL A 42 0.023 -2.990 3.165 1.00 13.35 H new ATOM 0 HG11 VAL A 42 -1.003 -4.013 1.125 1.00 71.41 H new ATOM 0 HG12 VAL A 42 0.119 -5.126 1.942 1.00 71.41 H new ATOM 0 HG13 VAL A 42 -1.638 -5.337 2.129 1.00 71.41 H new ATOM 0 HG21 VAL A 42 -2.223 -2.289 2.380 1.00 14.35 H new ATOM 0 HG22 VAL A 42 -2.962 -3.489 3.467 1.00 14.35 H new ATOM 0 HG23 VAL A 42 -2.038 -2.126 4.142 1.00 14.35 H new ATOM 636 N ILE A 43 0.824 -3.474 6.311 1.00 22.55 N ATOM 637 CA ILE A 43 1.166 -2.607 7.455 1.00 40.12 C ATOM 638 C ILE A 43 2.055 -1.481 6.926 1.00 15.52 C ATOM 639 O ILE A 43 3.071 -1.755 6.275 1.00 10.21 O ATOM 640 CB ILE A 43 1.917 -3.387 8.615 1.00 71.11 C ATOM 641 CG1 ILE A 43 1.043 -4.550 9.213 1.00 54.33 C ATOM 642 CG2 ILE A 43 2.384 -2.425 9.738 1.00 44.25 C ATOM 643 CD1 ILE A 43 0.917 -5.781 8.329 1.00 11.34 C ATOM 0 H ILE A 43 1.616 -4.004 5.948 1.00 22.55 H new ATOM 0 HA ILE A 43 0.244 -2.223 7.892 1.00 40.12 H new ATOM 0 HB ILE A 43 2.800 -3.839 8.162 1.00 71.11 H new ATOM 0 HG12 ILE A 43 1.471 -4.851 10.169 1.00 54.33 H new ATOM 0 HG13 ILE A 43 0.044 -4.165 9.418 1.00 54.33 H new ATOM 0 HG21 ILE A 43 2.894 -2.994 10.515 1.00 44.25 H new ATOM 0 HG22 ILE A 43 3.068 -1.685 9.322 1.00 44.25 H new ATOM 0 HG23 ILE A 43 1.519 -1.919 10.167 1.00 44.25 H new ATOM 0 HD11 ILE A 43 0.296 -6.525 8.828 1.00 11.34 H new ATOM 0 HD12 ILE A 43 0.458 -5.502 7.381 1.00 11.34 H new ATOM 0 HD13 ILE A 43 1.907 -6.199 8.144 1.00 11.34 H new ATOM 655 N TYR A 44 1.665 -0.222 7.185 1.00 1.34 N ATOM 656 CA TYR A 44 2.423 0.947 6.730 1.00 12.30 C ATOM 657 C TYR A 44 3.779 1.009 7.460 1.00 43.34 C ATOM 658 O TYR A 44 3.835 1.285 8.665 1.00 74.44 O ATOM 659 CB TYR A 44 1.618 2.254 6.936 1.00 24.21 C ATOM 660 CG TYR A 44 2.318 3.489 6.352 1.00 32.11 C ATOM 661 CD1 TYR A 44 2.323 3.724 4.977 1.00 63.52 C ATOM 662 CD2 TYR A 44 2.973 4.408 7.166 1.00 14.14 C ATOM 663 CE1 TYR A 44 2.956 4.823 4.446 1.00 73.24 C ATOM 664 CE2 TYR A 44 3.602 5.504 6.637 1.00 62.30 C ATOM 665 CZ TYR A 44 3.586 5.714 5.281 1.00 2.05 C ATOM 666 OH TYR A 44 4.198 6.818 4.761 1.00 60.44 O ATOM 0 H TYR A 44 0.822 0.009 7.711 1.00 1.34 H new ATOM 0 HA TYR A 44 2.606 0.846 5.660 1.00 12.30 H new ATOM 0 HB2 TYR A 44 0.637 2.147 6.473 1.00 24.21 H new ATOM 0 HB3 TYR A 44 1.452 2.408 8.002 1.00 24.21 H new ATOM 0 HD1 TYR A 44 1.821 3.031 4.318 1.00 63.52 H new ATOM 0 HD2 TYR A 44 2.986 4.254 8.235 1.00 14.14 H new ATOM 0 HE1 TYR A 44 2.958 4.985 3.378 1.00 73.24 H new ATOM 0 HE2 TYR A 44 4.110 6.202 7.286 1.00 62.30 H new ATOM 0 HH TYR A 44 5.042 6.977 5.233 1.00 60.44 H new ATOM 676 N LYS A 45 4.856 0.732 6.709 1.00 50.42 N ATOM 677 CA LYS A 45 6.228 0.710 7.231 1.00 42.41 C ATOM 678 C LYS A 45 6.852 2.102 7.143 1.00 21.11 C ATOM 679 O LYS A 45 7.385 2.614 8.135 1.00 40.34 O ATOM 680 CB LYS A 45 7.064 -0.323 6.439 1.00 12.44 C ATOM 681 CG LYS A 45 6.560 -1.791 6.552 1.00 45.22 C ATOM 682 CD LYS A 45 7.205 -2.580 7.719 1.00 73.44 C ATOM 683 CE LYS A 45 6.726 -2.168 9.122 1.00 61.13 C ATOM 684 NZ LYS A 45 7.359 -3.001 10.180 1.00 71.43 N ATOM 0 H LYS A 45 4.797 0.515 5.714 1.00 50.42 H new ATOM 0 HA LYS A 45 6.212 0.417 8.281 1.00 42.41 H new ATOM 0 HB2 LYS A 45 7.071 -0.035 5.388 1.00 12.44 H new ATOM 0 HB3 LYS A 45 8.096 -0.279 6.788 1.00 12.44 H new ATOM 0 HG2 LYS A 45 5.478 -1.786 6.682 1.00 45.22 H new ATOM 0 HG3 LYS A 45 6.766 -2.310 5.616 1.00 45.22 H new ATOM 0 HD2 LYS A 45 7.000 -3.641 7.578 1.00 73.44 H new ATOM 0 HD3 LYS A 45 8.287 -2.455 7.669 1.00 73.44 H new ATOM 0 HE2 LYS A 45 6.962 -1.118 9.294 1.00 61.13 H new ATOM 0 HE3 LYS A 45 5.642 -2.265 9.181 1.00 61.13 H new ATOM 0 HZ1 LYS A 45 7.028 -2.686 11.114 1.00 71.43 H new ATOM 0 HZ2 LYS A 45 7.100 -3.998 10.038 1.00 71.43 H new ATOM 0 HZ3 LYS A 45 8.393 -2.902 10.128 1.00 71.43 H new ATOM 698 N GLY A 46 6.763 2.715 5.949 1.00 53.50 N ATOM 699 CA GLY A 46 7.346 4.038 5.747 1.00 44.12 C ATOM 700 C GLY A 46 7.114 4.611 4.363 1.00 55.02 C ATOM 701 O GLY A 46 6.340 4.059 3.565 1.00 62.35 O ATOM 0 H GLY A 46 6.302 2.319 5.130 1.00 53.50 H new ATOM 0 HA2 GLY A 46 6.931 4.723 6.486 1.00 44.12 H new ATOM 0 HA3 GLY A 46 8.419 3.982 5.931 1.00 44.12 H new ATOM 705 N PHE A 47 7.792 5.736 4.106 1.00 51.22 N ATOM 706 CA PHE A 47 7.740 6.475 2.840 1.00 13.14 C ATOM 707 C PHE A 47 9.130 7.100 2.627 1.00 31.40 C ATOM 708 O PHE A 47 9.544 7.979 3.387 1.00 53.34 O ATOM 709 CB PHE A 47 6.620 7.551 2.915 1.00 64.31 C ATOM 710 CG PHE A 47 6.385 8.385 1.650 1.00 12.02 C ATOM 711 CD1 PHE A 47 5.855 7.800 0.499 1.00 74.12 C ATOM 712 CD2 PHE A 47 6.666 9.754 1.624 1.00 73.43 C ATOM 713 CE1 PHE A 47 5.618 8.555 -0.634 1.00 44.33 C ATOM 714 CE2 PHE A 47 6.424 10.506 0.490 1.00 72.43 C ATOM 715 CZ PHE A 47 5.901 9.905 -0.638 1.00 61.31 C ATOM 0 H PHE A 47 8.409 6.169 4.793 1.00 51.22 H new ATOM 0 HA PHE A 47 7.502 5.827 1.997 1.00 13.14 H new ATOM 0 HB2 PHE A 47 5.686 7.053 3.173 1.00 64.31 H new ATOM 0 HB3 PHE A 47 6.855 8.232 3.733 1.00 64.31 H new ATOM 0 HD1 PHE A 47 5.627 6.744 0.494 1.00 74.12 H new ATOM 0 HD2 PHE A 47 7.078 10.230 2.502 1.00 73.43 H new ATOM 0 HE1 PHE A 47 5.210 8.087 -1.518 1.00 44.33 H new ATOM 0 HE2 PHE A 47 6.644 11.563 0.486 1.00 72.43 H new ATOM 0 HZ PHE A 47 5.713 10.493 -1.524 1.00 61.31 H new ATOM 725 N GLU A 48 9.857 6.610 1.613 1.00 1.24 N ATOM 726 CA GLU A 48 11.231 7.045 1.321 1.00 45.14 C ATOM 727 C GLU A 48 11.370 7.337 -0.176 1.00 65.34 C ATOM 728 O GLU A 48 11.239 6.417 -0.994 1.00 21.51 O ATOM 729 CB GLU A 48 12.267 5.959 1.727 1.00 24.34 C ATOM 730 CG GLU A 48 12.349 5.643 3.230 1.00 74.03 C ATOM 731 CD GLU A 48 13.442 4.606 3.550 1.00 54.13 C ATOM 732 OE1 GLU A 48 14.633 4.981 3.612 1.00 41.22 O ATOM 733 OE2 GLU A 48 13.127 3.404 3.688 1.00 73.05 O ATOM 0 H GLU A 48 9.508 5.899 0.970 1.00 1.24 H new ATOM 0 HA GLU A 48 11.430 7.946 1.901 1.00 45.14 H new ATOM 0 HB2 GLU A 48 12.029 5.039 1.194 1.00 24.34 H new ATOM 0 HB3 GLU A 48 13.252 6.278 1.387 1.00 24.34 H new ATOM 0 HG2 GLU A 48 12.550 6.561 3.782 1.00 74.03 H new ATOM 0 HG3 GLU A 48 11.385 5.269 3.574 1.00 74.03 H new ATOM 740 N ASP A 49 11.615 8.621 -0.512 1.00 75.42 N ATOM 741 CA ASP A 49 11.965 9.078 -1.874 1.00 43.20 C ATOM 742 C ASP A 49 10.836 8.767 -2.877 1.00 21.31 C ATOM 743 O ASP A 49 11.089 8.406 -4.032 1.00 63.04 O ATOM 744 CB ASP A 49 13.327 8.464 -2.321 1.00 14.22 C ATOM 745 CG ASP A 49 14.479 8.794 -1.355 1.00 64.43 C ATOM 746 OD1 ASP A 49 15.083 9.879 -1.479 1.00 75.33 O ATOM 747 OD2 ASP A 49 14.772 7.987 -0.438 1.00 21.31 O ATOM 0 H ASP A 49 11.575 9.382 0.166 1.00 75.42 H new ATOM 0 HA ASP A 49 12.079 10.162 -1.855 1.00 43.20 H new ATOM 0 HB2 ASP A 49 13.224 7.382 -2.399 1.00 14.22 H new ATOM 0 HB3 ASP A 49 13.577 8.833 -3.316 1.00 14.22 H new ATOM 752 N GLY A 50 9.585 8.936 -2.412 1.00 11.21 N ATOM 753 CA GLY A 50 8.390 8.718 -3.237 1.00 64.24 C ATOM 754 C GLY A 50 7.847 7.297 -3.179 1.00 50.34 C ATOM 755 O GLY A 50 6.798 7.005 -3.763 1.00 51.04 O ATOM 0 H GLY A 50 9.378 9.227 -1.456 1.00 11.21 H new ATOM 0 HA2 GLY A 50 7.609 9.408 -2.916 1.00 64.24 H new ATOM 0 HA3 GLY A 50 8.626 8.963 -4.272 1.00 64.24 H new ATOM 759 N ILE A 51 8.555 6.412 -2.462 1.00 34.23 N ATOM 760 CA ILE A 51 8.232 4.979 -2.398 1.00 14.43 C ATOM 761 C ILE A 51 7.534 4.633 -1.066 1.00 12.44 C ATOM 762 O ILE A 51 8.135 4.741 0.008 1.00 23.13 O ATOM 763 CB ILE A 51 9.534 4.118 -2.588 1.00 22.14 C ATOM 764 CG1 ILE A 51 10.222 4.454 -3.954 1.00 60.11 C ATOM 765 CG2 ILE A 51 9.247 2.607 -2.469 1.00 41.14 C ATOM 766 CD1 ILE A 51 9.354 4.253 -5.189 1.00 62.35 C ATOM 0 H ILE A 51 9.371 6.671 -1.908 1.00 34.23 H new ATOM 0 HA ILE A 51 7.542 4.744 -3.208 1.00 14.43 H new ATOM 0 HB ILE A 51 10.221 4.378 -1.782 1.00 22.14 H new ATOM 0 HG12 ILE A 51 10.554 5.492 -3.929 1.00 60.11 H new ATOM 0 HG13 ILE A 51 11.115 3.836 -4.054 1.00 60.11 H new ATOM 0 HG21 ILE A 51 10.173 2.049 -2.607 1.00 41.14 H new ATOM 0 HG22 ILE A 51 8.836 2.391 -1.483 1.00 41.14 H new ATOM 0 HG23 ILE A 51 8.528 2.312 -3.234 1.00 41.14 H new ATOM 0 HD11 ILE A 51 9.924 4.513 -6.081 1.00 62.35 H new ATOM 0 HD12 ILE A 51 9.043 3.210 -5.249 1.00 62.35 H new ATOM 0 HD13 ILE A 51 8.473 4.891 -5.122 1.00 62.35 H new ATOM 778 N VAL A 52 6.255 4.228 -1.174 1.00 51.04 N ATOM 779 CA VAL A 52 5.439 3.781 -0.036 1.00 5.44 C ATOM 780 C VAL A 52 5.773 2.309 0.257 1.00 2.45 C ATOM 781 O VAL A 52 5.428 1.418 -0.520 1.00 72.13 O ATOM 782 CB VAL A 52 3.901 3.928 -0.334 1.00 23.51 C ATOM 783 CG1 VAL A 52 3.042 3.550 0.895 1.00 21.11 C ATOM 784 CG2 VAL A 52 3.564 5.351 -0.824 1.00 64.32 C ATOM 0 H VAL A 52 5.757 4.203 -2.064 1.00 51.04 H new ATOM 0 HA VAL A 52 5.668 4.406 0.827 1.00 5.44 H new ATOM 0 HB VAL A 52 3.657 3.227 -1.133 1.00 23.51 H new ATOM 0 HG11 VAL A 52 1.986 3.664 0.650 1.00 21.11 H new ATOM 0 HG12 VAL A 52 3.240 2.515 1.173 1.00 21.11 H new ATOM 0 HG13 VAL A 52 3.294 4.204 1.730 1.00 21.11 H new ATOM 0 HG21 VAL A 52 2.495 5.424 -1.022 1.00 64.32 H new ATOM 0 HG22 VAL A 52 3.841 6.075 -0.058 1.00 64.32 H new ATOM 0 HG23 VAL A 52 4.118 5.561 -1.739 1.00 64.32 H new ATOM 794 N GLN A 53 6.468 2.065 1.362 1.00 30.53 N ATOM 795 CA GLN A 53 6.943 0.720 1.733 1.00 51.32 C ATOM 796 C GLN A 53 5.958 0.081 2.726 1.00 31.51 C ATOM 797 O GLN A 53 5.616 0.691 3.754 1.00 14.54 O ATOM 798 CB GLN A 53 8.368 0.836 2.312 1.00 43.50 C ATOM 799 CG GLN A 53 9.402 1.355 1.282 1.00 54.41 C ATOM 800 CD GLN A 53 10.781 1.650 1.869 1.00 12.13 C ATOM 801 OE1 GLN A 53 11.220 1.012 2.825 1.00 74.41 O ATOM 802 NE2 GLN A 53 11.473 2.626 1.301 1.00 34.35 N ATOM 0 H GLN A 53 6.723 2.790 2.033 1.00 30.53 H new ATOM 0 HA GLN A 53 6.987 0.070 0.859 1.00 51.32 H new ATOM 0 HB2 GLN A 53 8.351 1.507 3.171 1.00 43.50 H new ATOM 0 HB3 GLN A 53 8.686 -0.141 2.677 1.00 43.50 H new ATOM 0 HG2 GLN A 53 9.509 0.616 0.488 1.00 54.41 H new ATOM 0 HG3 GLN A 53 9.014 2.264 0.822 1.00 54.41 H new ATOM 0 HE21 GLN A 53 11.080 3.136 0.510 1.00 34.35 H new ATOM 0 HE22 GLN A 53 12.399 2.868 1.655 1.00 34.35 H new ATOM 811 N LEU A 54 5.475 -1.136 2.386 1.00 61.53 N ATOM 812 CA LEU A 54 4.420 -1.840 3.148 1.00 53.24 C ATOM 813 C LEU A 54 4.846 -3.284 3.471 1.00 32.44 C ATOM 814 O LEU A 54 5.551 -3.927 2.685 1.00 31.14 O ATOM 815 CB LEU A 54 3.095 -1.869 2.338 1.00 73.51 C ATOM 816 CG LEU A 54 2.511 -0.487 1.903 1.00 22.50 C ATOM 817 CD1 LEU A 54 1.229 -0.656 1.085 1.00 25.10 C ATOM 818 CD2 LEU A 54 2.262 0.425 3.110 1.00 74.25 C ATOM 0 H LEU A 54 5.807 -1.657 1.575 1.00 61.53 H new ATOM 0 HA LEU A 54 4.266 -1.298 4.081 1.00 53.24 H new ATOM 0 HB2 LEU A 54 3.257 -2.468 1.442 1.00 73.51 H new ATOM 0 HB3 LEU A 54 2.342 -2.385 2.934 1.00 73.51 H new ATOM 0 HG LEU A 54 3.258 -0.009 1.269 1.00 22.50 H new ATOM 0 HD11 LEU A 54 0.849 0.324 0.798 1.00 25.10 H new ATOM 0 HD12 LEU A 54 1.443 -1.238 0.189 1.00 25.10 H new ATOM 0 HD13 LEU A 54 0.481 -1.174 1.684 1.00 25.10 H new ATOM 0 HD21 LEU A 54 1.856 1.377 2.769 1.00 74.25 H new ATOM 0 HD22 LEU A 54 1.552 -0.051 3.786 1.00 74.25 H new ATOM 0 HD23 LEU A 54 3.201 0.598 3.635 1.00 74.25 H new ATOM 830 N LYS A 55 4.384 -3.780 4.633 1.00 1.13 N ATOM 831 CA LYS A 55 4.613 -5.155 5.095 1.00 41.41 C ATOM 832 C LYS A 55 3.497 -6.060 4.562 1.00 22.13 C ATOM 833 O LYS A 55 2.340 -5.929 4.983 1.00 24.30 O ATOM 834 CB LYS A 55 4.649 -5.192 6.645 1.00 53.32 C ATOM 835 CG LYS A 55 4.834 -6.594 7.272 1.00 63.11 C ATOM 836 CD LYS A 55 4.725 -6.563 8.821 1.00 44.03 C ATOM 837 CE LYS A 55 4.932 -7.943 9.462 1.00 50.45 C ATOM 838 NZ LYS A 55 4.771 -7.906 10.940 1.00 13.43 N ATOM 0 H LYS A 55 3.832 -3.224 5.286 1.00 1.13 H new ATOM 0 HA LYS A 55 5.572 -5.513 4.720 1.00 41.41 H new ATOM 0 HB2 LYS A 55 5.460 -4.550 6.988 1.00 53.32 H new ATOM 0 HB3 LYS A 55 3.721 -4.763 7.023 1.00 53.32 H new ATOM 0 HG2 LYS A 55 4.081 -7.272 6.870 1.00 63.11 H new ATOM 0 HG3 LYS A 55 5.807 -6.993 6.986 1.00 63.11 H new ATOM 0 HD2 LYS A 55 5.465 -5.869 9.219 1.00 44.03 H new ATOM 0 HD3 LYS A 55 3.744 -6.180 9.104 1.00 44.03 H new ATOM 0 HE2 LYS A 55 4.218 -8.649 9.038 1.00 50.45 H new ATOM 0 HE3 LYS A 55 5.928 -8.310 9.216 1.00 50.45 H new ATOM 0 HZ1 LYS A 55 4.919 -8.859 11.329 1.00 13.43 H new ATOM 0 HZ2 LYS A 55 5.469 -7.252 11.349 1.00 13.43 H new ATOM 0 HZ3 LYS A 55 3.812 -7.581 11.177 1.00 13.43 H new ATOM 852 N LEU A 56 3.838 -6.955 3.619 1.00 42.01 N ATOM 853 CA LEU A 56 2.874 -7.919 3.066 1.00 72.23 C ATOM 854 C LEU A 56 2.845 -9.179 3.954 1.00 51.23 C ATOM 855 O LEU A 56 3.897 -9.673 4.378 1.00 35.51 O ATOM 856 CB LEU A 56 3.218 -8.300 1.598 1.00 34.34 C ATOM 857 CG LEU A 56 3.388 -7.128 0.571 1.00 14.23 C ATOM 858 CD1 LEU A 56 3.408 -7.653 -0.877 1.00 73.01 C ATOM 859 CD2 LEU A 56 2.316 -6.038 0.745 1.00 21.51 C ATOM 0 H LEU A 56 4.775 -7.030 3.224 1.00 42.01 H new ATOM 0 HA LEU A 56 1.889 -7.452 3.057 1.00 72.23 H new ATOM 0 HB2 LEU A 56 4.143 -8.877 1.607 1.00 34.34 H new ATOM 0 HB3 LEU A 56 2.434 -8.961 1.229 1.00 34.34 H new ATOM 0 HG LEU A 56 4.352 -6.665 0.780 1.00 14.23 H new ATOM 0 HD11 LEU A 56 3.527 -6.817 -1.566 1.00 73.01 H new ATOM 0 HD12 LEU A 56 4.240 -8.346 -1.001 1.00 73.01 H new ATOM 0 HD13 LEU A 56 2.471 -8.168 -1.090 1.00 73.01 H new ATOM 0 HD21 LEU A 56 2.477 -5.249 0.011 1.00 21.51 H new ATOM 0 HD22 LEU A 56 1.327 -6.473 0.599 1.00 21.51 H new ATOM 0 HD23 LEU A 56 2.383 -5.619 1.749 1.00 21.51 H new ATOM 871 N GLN A 57 1.635 -9.672 4.242 1.00 65.24 N ATOM 872 CA GLN A 57 1.416 -10.902 5.045 1.00 22.33 C ATOM 873 C GLN A 57 1.235 -12.124 4.125 1.00 33.41 C ATOM 874 O GLN A 57 1.190 -11.978 2.899 1.00 63.20 O ATOM 875 CB GLN A 57 0.163 -10.729 5.946 1.00 5.13 C ATOM 876 CG GLN A 57 0.320 -9.719 7.097 1.00 62.54 C ATOM 877 CD GLN A 57 1.374 -10.127 8.129 1.00 50.22 C ATOM 878 OE1 GLN A 57 1.629 -11.311 8.351 1.00 61.14 O ATOM 879 NE2 GLN A 57 1.959 -9.160 8.797 1.00 53.12 N ATOM 0 H GLN A 57 0.769 -9.234 3.927 1.00 65.24 H new ATOM 0 HA GLN A 57 2.291 -11.067 5.673 1.00 22.33 H new ATOM 0 HB2 GLN A 57 -0.674 -10.417 5.321 1.00 5.13 H new ATOM 0 HB3 GLN A 57 -0.098 -11.699 6.368 1.00 5.13 H new ATOM 0 HG2 GLN A 57 0.586 -8.747 6.683 1.00 62.54 H new ATOM 0 HG3 GLN A 57 -0.640 -9.600 7.598 1.00 62.54 H new ATOM 0 HE21 GLN A 57 1.729 -8.187 8.593 1.00 53.12 H new ATOM 0 HE22 GLN A 57 2.643 -9.381 9.520 1.00 53.12 H new ATOM 888 N GLY A 58 1.131 -13.335 4.729 1.00 1.31 N ATOM 889 CA GLY A 58 0.880 -14.578 3.974 1.00 43.22 C ATOM 890 C GLY A 58 -0.357 -14.488 3.076 1.00 15.13 C ATOM 891 O GLY A 58 -1.238 -13.665 3.340 1.00 2.15 O ATOM 0 H GLY A 58 1.218 -13.471 5.736 1.00 1.31 H new ATOM 0 HA2 GLY A 58 1.752 -14.808 3.362 1.00 43.22 H new ATOM 0 HA3 GLY A 58 0.756 -15.404 4.674 1.00 43.22 H new ATOM 895 N SER A 59 -0.405 -15.339 2.034 1.00 53.15 N ATOM 896 CA SER A 59 -1.362 -15.257 0.902 1.00 61.13 C ATOM 897 C SER A 59 -0.907 -14.154 -0.081 1.00 72.20 C ATOM 898 O SER A 59 -0.457 -14.463 -1.184 1.00 14.51 O ATOM 899 CB SER A 59 -2.855 -15.075 1.337 1.00 53.41 C ATOM 900 OG SER A 59 -3.730 -15.021 0.216 1.00 32.23 O ATOM 0 H SER A 59 0.237 -16.127 1.949 1.00 53.15 H new ATOM 0 HA SER A 59 -1.344 -16.223 0.397 1.00 61.13 H new ATOM 0 HB2 SER A 59 -3.147 -15.900 1.987 1.00 53.41 H new ATOM 0 HB3 SER A 59 -2.955 -14.159 1.920 1.00 53.41 H new ATOM 0 HG SER A 59 -4.618 -14.726 0.508 1.00 32.23 H new ATOM 906 N CYS A 60 -0.945 -12.873 0.345 1.00 31.44 N ATOM 907 CA CYS A 60 -0.623 -11.736 -0.548 1.00 52.23 C ATOM 908 C CYS A 60 0.874 -11.696 -0.929 1.00 41.14 C ATOM 909 O CYS A 60 1.236 -11.107 -1.957 1.00 23.31 O ATOM 910 CB CYS A 60 -1.063 -10.408 0.097 1.00 64.35 C ATOM 911 SG CYS A 60 -0.242 -9.989 1.646 1.00 62.35 S ATOM 0 H CYS A 60 -1.194 -12.600 1.296 1.00 31.44 H new ATOM 0 HA CYS A 60 -1.180 -11.880 -1.474 1.00 52.23 H new ATOM 0 HB2 CYS A 60 -0.888 -9.602 -0.616 1.00 64.35 H new ATOM 0 HB3 CYS A 60 -2.138 -10.449 0.275 1.00 64.35 H new ATOM 0 HG CYS A 60 0.276 -11.062 2.167 1.00 62.35 H new ATOM 917 N THR A 61 1.740 -12.330 -0.105 1.00 55.15 N ATOM 918 CA THR A 61 3.192 -12.440 -0.392 1.00 43.30 C ATOM 919 C THR A 61 3.583 -13.865 -0.862 1.00 60.10 C ATOM 920 O THR A 61 4.770 -14.139 -1.096 1.00 65.25 O ATOM 921 CB THR A 61 4.058 -12.024 0.852 1.00 74.31 C ATOM 922 OG1 THR A 61 5.431 -11.885 0.470 1.00 11.22 O ATOM 923 CG2 THR A 61 3.981 -13.041 2.002 1.00 4.03 C ATOM 0 H THR A 61 1.458 -12.775 0.768 1.00 55.15 H new ATOM 0 HA THR A 61 3.401 -11.747 -1.207 1.00 43.30 H new ATOM 0 HB THR A 61 3.650 -11.077 1.206 1.00 74.31 H new ATOM 0 HG1 THR A 61 5.992 -11.853 1.273 1.00 11.22 H new ATOM 0 HG21 THR A 61 4.599 -12.699 2.832 1.00 4.03 H new ATOM 0 HG22 THR A 61 2.947 -13.137 2.335 1.00 4.03 H new ATOM 0 HG23 THR A 61 4.342 -14.010 1.656 1.00 4.03 H new ATOM 931 N SER A 62 2.585 -14.757 -1.009 1.00 1.04 N ATOM 932 CA SER A 62 2.815 -16.175 -1.356 1.00 11.11 C ATOM 933 C SER A 62 3.262 -16.324 -2.829 1.00 43.04 C ATOM 934 O SER A 62 4.351 -16.846 -3.096 1.00 71.14 O ATOM 935 CB SER A 62 1.543 -17.008 -1.078 1.00 43.43 C ATOM 936 OG SER A 62 1.760 -18.388 -1.317 1.00 63.10 O ATOM 0 H SER A 62 1.600 -14.518 -0.891 1.00 1.04 H new ATOM 0 HA SER A 62 3.621 -16.554 -0.727 1.00 11.11 H new ATOM 0 HB2 SER A 62 1.231 -16.862 -0.044 1.00 43.43 H new ATOM 0 HB3 SER A 62 0.729 -16.652 -1.710 1.00 43.43 H new ATOM 0 HG SER A 62 0.937 -18.886 -1.130 1.00 63.10 H new ATOM 942 N CYS A 63 2.427 -15.851 -3.777 1.00 62.13 N ATOM 943 CA CYS A 63 2.746 -15.880 -5.220 1.00 42.34 C ATOM 944 C CYS A 63 3.385 -14.538 -5.661 1.00 43.13 C ATOM 945 O CYS A 63 2.939 -13.478 -5.205 1.00 33.12 O ATOM 946 CB CYS A 63 1.471 -16.181 -6.038 1.00 25.12 C ATOM 947 SG CYS A 63 0.716 -17.788 -5.671 1.00 51.55 S ATOM 0 H CYS A 63 1.518 -15.440 -3.566 1.00 62.13 H new ATOM 0 HA CYS A 63 3.469 -16.674 -5.406 1.00 42.34 H new ATOM 0 HB2 CYS A 63 0.738 -15.396 -5.850 1.00 25.12 H new ATOM 0 HB3 CYS A 63 1.716 -16.141 -7.099 1.00 25.12 H new ATOM 0 HG CYS A 63 -0.346 -17.946 -6.404 1.00 51.55 H new ATOM 953 N PRO A 64 4.451 -14.566 -6.541 1.00 43.02 N ATOM 954 CA PRO A 64 5.140 -13.337 -7.043 1.00 40.02 C ATOM 955 C PRO A 64 4.196 -12.389 -7.815 1.00 1.53 C ATOM 956 O PRO A 64 4.306 -11.161 -7.693 1.00 70.32 O ATOM 957 CB PRO A 64 6.272 -13.900 -7.959 1.00 13.54 C ATOM 958 CG PRO A 64 5.839 -15.298 -8.304 1.00 60.51 C ATOM 959 CD PRO A 64 5.092 -15.798 -7.084 1.00 51.34 C ATOM 0 HA PRO A 64 5.517 -12.720 -6.228 1.00 40.02 H new ATOM 0 HB2 PRO A 64 6.392 -13.292 -8.856 1.00 13.54 H new ATOM 0 HB3 PRO A 64 7.232 -13.901 -7.443 1.00 13.54 H new ATOM 0 HG2 PRO A 64 5.200 -15.305 -9.187 1.00 60.51 H new ATOM 0 HG3 PRO A 64 6.697 -15.932 -8.527 1.00 60.51 H new ATOM 0 HD2 PRO A 64 4.351 -16.553 -7.348 1.00 51.34 H new ATOM 0 HD3 PRO A 64 5.766 -16.253 -6.359 1.00 51.34 H new ATOM 967 N SER A 65 3.265 -12.977 -8.591 1.00 50.13 N ATOM 968 CA SER A 65 2.275 -12.219 -9.373 1.00 3.31 C ATOM 969 C SER A 65 1.274 -11.514 -8.438 1.00 31.01 C ATOM 970 O SER A 65 0.837 -10.400 -8.731 1.00 30.11 O ATOM 971 CB SER A 65 1.545 -13.155 -10.365 1.00 74.13 C ATOM 972 OG SER A 65 0.701 -12.438 -11.255 1.00 3.33 O ATOM 0 H SER A 65 3.180 -13.988 -8.692 1.00 50.13 H new ATOM 0 HA SER A 65 2.795 -11.453 -9.948 1.00 3.31 H new ATOM 0 HB2 SER A 65 2.281 -13.719 -10.939 1.00 74.13 H new ATOM 0 HB3 SER A 65 0.951 -13.880 -9.808 1.00 74.13 H new ATOM 0 HG SER A 65 0.260 -13.066 -11.865 1.00 3.33 H new ATOM 978 N SER A 66 0.929 -12.171 -7.304 1.00 31.14 N ATOM 979 CA SER A 66 0.045 -11.599 -6.281 1.00 32.43 C ATOM 980 C SER A 66 0.671 -10.339 -5.642 1.00 54.34 C ATOM 981 O SER A 66 -0.027 -9.340 -5.421 1.00 35.00 O ATOM 982 CB SER A 66 -0.255 -12.663 -5.206 1.00 2.13 C ATOM 983 OG SER A 66 -0.836 -13.818 -5.787 1.00 2.41 O ATOM 0 H SER A 66 1.259 -13.110 -7.081 1.00 31.14 H new ATOM 0 HA SER A 66 -0.888 -11.296 -6.756 1.00 32.43 H new ATOM 0 HB2 SER A 66 0.666 -12.934 -4.690 1.00 2.13 H new ATOM 0 HB3 SER A 66 -0.930 -12.249 -4.457 1.00 2.13 H new ATOM 0 HG SER A 66 -1.002 -14.487 -5.090 1.00 2.41 H new ATOM 989 N ILE A 67 1.988 -10.419 -5.357 1.00 61.11 N ATOM 990 CA ILE A 67 2.783 -9.315 -4.786 1.00 44.12 C ATOM 991 C ILE A 67 2.734 -8.068 -5.692 1.00 64.52 C ATOM 992 O ILE A 67 2.408 -6.974 -5.230 1.00 74.25 O ATOM 993 CB ILE A 67 4.285 -9.764 -4.578 1.00 32.21 C ATOM 994 CG1 ILE A 67 4.368 -10.960 -3.576 1.00 12.02 C ATOM 995 CG2 ILE A 67 5.180 -8.590 -4.113 1.00 12.53 C ATOM 996 CD1 ILE A 67 5.758 -11.559 -3.383 1.00 72.01 C ATOM 0 H ILE A 67 2.535 -11.264 -5.520 1.00 61.11 H new ATOM 0 HA ILE A 67 2.348 -9.059 -3.820 1.00 44.12 H new ATOM 0 HB ILE A 67 4.665 -10.094 -5.545 1.00 32.21 H new ATOM 0 HG12 ILE A 67 3.997 -10.626 -2.607 1.00 12.02 H new ATOM 0 HG13 ILE A 67 3.697 -11.747 -3.920 1.00 12.02 H new ATOM 0 HG21 ILE A 67 6.203 -8.942 -3.982 1.00 12.53 H new ATOM 0 HG22 ILE A 67 5.161 -7.799 -4.863 1.00 12.53 H new ATOM 0 HG23 ILE A 67 4.806 -8.201 -3.166 1.00 12.53 H new ATOM 0 HD11 ILE A 67 5.704 -12.381 -2.669 1.00 72.01 H new ATOM 0 HD12 ILE A 67 6.129 -11.931 -4.338 1.00 72.01 H new ATOM 0 HD13 ILE A 67 6.435 -10.793 -3.004 1.00 72.01 H new ATOM 1008 N ILE A 68 3.053 -8.266 -6.986 1.00 61.24 N ATOM 1009 CA ILE A 68 3.170 -7.170 -7.962 1.00 14.32 C ATOM 1010 C ILE A 68 1.786 -6.537 -8.261 1.00 60.10 C ATOM 1011 O ILE A 68 1.679 -5.312 -8.319 1.00 32.03 O ATOM 1012 CB ILE A 68 3.874 -7.655 -9.289 1.00 30.32 C ATOM 1013 CG1 ILE A 68 5.282 -8.276 -8.984 1.00 5.01 C ATOM 1014 CG2 ILE A 68 4.001 -6.494 -10.306 1.00 32.22 C ATOM 1015 CD1 ILE A 68 6.011 -8.846 -10.199 1.00 33.14 C ATOM 0 H ILE A 68 3.236 -9.188 -7.381 1.00 61.24 H new ATOM 0 HA ILE A 68 3.800 -6.399 -7.518 1.00 14.32 H new ATOM 0 HB ILE A 68 3.249 -8.430 -9.732 1.00 30.32 H new ATOM 0 HG12 ILE A 68 5.910 -7.510 -8.528 1.00 5.01 H new ATOM 0 HG13 ILE A 68 5.161 -9.069 -8.246 1.00 5.01 H new ATOM 0 HG21 ILE A 68 4.489 -6.855 -11.211 1.00 32.22 H new ATOM 0 HG22 ILE A 68 3.009 -6.118 -10.554 1.00 32.22 H new ATOM 0 HG23 ILE A 68 4.595 -5.691 -9.869 1.00 32.22 H new ATOM 0 HD11 ILE A 68 6.974 -9.252 -9.888 1.00 33.14 H new ATOM 0 HD12 ILE A 68 5.410 -9.638 -10.645 1.00 33.14 H new ATOM 0 HD13 ILE A 68 6.170 -8.055 -10.932 1.00 33.14 H new ATOM 1027 N THR A 69 0.733 -7.384 -8.414 1.00 21.35 N ATOM 1028 CA THR A 69 -0.665 -6.923 -8.619 1.00 15.12 C ATOM 1029 C THR A 69 -1.114 -6.012 -7.466 1.00 22.40 C ATOM 1030 O THR A 69 -1.702 -4.946 -7.693 1.00 25.40 O ATOM 1031 CB THR A 69 -1.665 -8.127 -8.735 1.00 52.11 C ATOM 1032 OG1 THR A 69 -1.280 -8.972 -9.825 1.00 31.31 O ATOM 1033 CG2 THR A 69 -3.129 -7.676 -8.935 1.00 14.21 C ATOM 0 H THR A 69 0.829 -8.399 -8.399 1.00 21.35 H new ATOM 0 HA THR A 69 -0.678 -6.366 -9.556 1.00 15.12 H new ATOM 0 HB THR A 69 -1.617 -8.669 -7.791 1.00 52.11 H new ATOM 0 HG1 THR A 69 -0.514 -9.522 -9.558 1.00 31.31 H new ATOM 0 HG21 THR A 69 -3.773 -8.552 -9.008 1.00 14.21 H new ATOM 0 HG22 THR A 69 -3.441 -7.066 -8.087 1.00 14.21 H new ATOM 0 HG23 THR A 69 -3.207 -7.091 -9.851 1.00 14.21 H new ATOM 1041 N LEU A 70 -0.805 -6.449 -6.229 1.00 53.23 N ATOM 1042 CA LEU A 70 -1.154 -5.714 -5.014 1.00 20.33 C ATOM 1043 C LEU A 70 -0.410 -4.364 -4.980 1.00 63.42 C ATOM 1044 O LEU A 70 -1.043 -3.318 -4.877 1.00 21.03 O ATOM 1045 CB LEU A 70 -0.825 -6.572 -3.764 1.00 1.15 C ATOM 1046 CG LEU A 70 -1.177 -5.930 -2.384 1.00 72.23 C ATOM 1047 CD1 LEU A 70 -2.662 -5.528 -2.309 1.00 2.40 C ATOM 1048 CD2 LEU A 70 -0.788 -6.866 -1.223 1.00 51.53 C ATOM 0 H LEU A 70 -0.307 -7.321 -6.053 1.00 53.23 H new ATOM 0 HA LEU A 70 -2.224 -5.507 -5.010 1.00 20.33 H new ATOM 0 HB2 LEU A 70 -1.356 -7.520 -3.848 1.00 1.15 H new ATOM 0 HB3 LEU A 70 0.240 -6.802 -3.775 1.00 1.15 H new ATOM 0 HG LEU A 70 -0.590 -5.017 -2.286 1.00 72.23 H new ATOM 0 HD11 LEU A 70 -2.870 -5.085 -1.335 1.00 2.40 H new ATOM 0 HD12 LEU A 70 -2.883 -4.803 -3.092 1.00 2.40 H new ATOM 0 HD13 LEU A 70 -3.285 -6.411 -2.447 1.00 2.40 H new ATOM 0 HD21 LEU A 70 -1.044 -6.395 -0.274 1.00 51.53 H new ATOM 0 HD22 LEU A 70 -1.329 -7.808 -1.318 1.00 51.53 H new ATOM 0 HD23 LEU A 70 0.284 -7.059 -1.255 1.00 51.53 H new ATOM 1060 N LYS A 71 0.926 -4.428 -5.136 1.00 54.01 N ATOM 1061 CA LYS A 71 1.837 -3.265 -5.109 1.00 14.42 C ATOM 1062 C LYS A 71 1.424 -2.192 -6.141 1.00 63.21 C ATOM 1063 O LYS A 71 1.468 -0.995 -5.852 1.00 74.14 O ATOM 1064 CB LYS A 71 3.290 -3.795 -5.337 1.00 54.25 C ATOM 1065 CG LYS A 71 4.429 -2.738 -5.389 1.00 23.10 C ATOM 1066 CD LYS A 71 4.778 -2.248 -6.825 1.00 51.02 C ATOM 1067 CE LYS A 71 5.282 -3.380 -7.735 1.00 24.32 C ATOM 1068 NZ LYS A 71 5.653 -2.886 -9.081 1.00 13.40 N ATOM 0 H LYS A 71 1.415 -5.310 -5.288 1.00 54.01 H new ATOM 0 HA LYS A 71 1.784 -2.764 -4.143 1.00 14.42 H new ATOM 0 HB2 LYS A 71 3.521 -4.502 -4.541 1.00 54.25 H new ATOM 0 HB3 LYS A 71 3.304 -4.353 -6.273 1.00 54.25 H new ATOM 0 HG2 LYS A 71 4.140 -1.879 -4.784 1.00 23.10 H new ATOM 0 HG3 LYS A 71 5.324 -3.162 -4.934 1.00 23.10 H new ATOM 0 HD2 LYS A 71 3.895 -1.794 -7.274 1.00 51.02 H new ATOM 0 HD3 LYS A 71 5.540 -1.471 -6.764 1.00 51.02 H new ATOM 0 HE2 LYS A 71 6.146 -3.859 -7.274 1.00 24.32 H new ATOM 0 HE3 LYS A 71 4.508 -4.142 -7.829 1.00 24.32 H new ATOM 0 HZ1 LYS A 71 6.286 -3.572 -9.540 1.00 13.40 H new ATOM 0 HZ2 LYS A 71 4.795 -2.768 -9.656 1.00 13.40 H new ATOM 0 HZ3 LYS A 71 6.139 -1.971 -8.993 1.00 13.40 H new ATOM 1082 N ASN A 72 1.014 -2.658 -7.334 1.00 65.41 N ATOM 1083 CA ASN A 72 0.544 -1.799 -8.445 1.00 0.10 C ATOM 1084 C ASN A 72 -0.814 -1.158 -8.113 1.00 74.25 C ATOM 1085 O ASN A 72 -1.005 0.035 -8.346 1.00 42.54 O ATOM 1086 CB ASN A 72 0.457 -2.612 -9.778 1.00 63.43 C ATOM 1087 CG ASN A 72 1.808 -2.876 -10.447 1.00 65.40 C ATOM 1088 OD1 ASN A 72 2.854 -2.884 -9.803 1.00 62.44 O ATOM 1089 ND2 ASN A 72 1.789 -3.115 -11.747 1.00 63.42 N ATOM 0 H ASN A 72 0.998 -3.652 -7.560 1.00 65.41 H new ATOM 0 HA ASN A 72 1.272 -0.999 -8.578 1.00 0.10 H new ATOM 0 HB2 ASN A 72 -0.027 -3.567 -9.576 1.00 63.43 H new ATOM 0 HB3 ASN A 72 -0.182 -2.073 -10.477 1.00 63.43 H new ATOM 0 HD21 ASN A 72 2.659 -3.313 -12.242 1.00 63.42 H new ATOM 0 HD22 ASN A 72 0.905 -3.102 -12.255 1.00 63.42 H new ATOM 1096 N GLY A 73 -1.746 -1.960 -7.569 1.00 21.43 N ATOM 1097 CA GLY A 73 -3.091 -1.483 -7.234 1.00 34.04 C ATOM 1098 C GLY A 73 -3.076 -0.359 -6.192 1.00 11.51 C ATOM 1099 O GLY A 73 -3.730 0.691 -6.371 1.00 23.31 O ATOM 0 H GLY A 73 -1.587 -2.944 -7.353 1.00 21.43 H new ATOM 0 HA2 GLY A 73 -3.582 -1.127 -8.140 1.00 34.04 H new ATOM 0 HA3 GLY A 73 -3.684 -2.316 -6.856 1.00 34.04 H new ATOM 1103 N ILE A 74 -2.285 -0.588 -5.122 1.00 43.24 N ATOM 1104 CA ILE A 74 -2.047 0.388 -4.043 1.00 65.42 C ATOM 1105 C ILE A 74 -1.400 1.656 -4.625 1.00 55.40 C ATOM 1106 O ILE A 74 -1.804 2.769 -4.298 1.00 72.41 O ATOM 1107 CB ILE A 74 -1.097 -0.215 -2.930 1.00 24.31 C ATOM 1108 CG1 ILE A 74 -1.649 -1.573 -2.391 1.00 75.14 C ATOM 1109 CG2 ILE A 74 -0.884 0.783 -1.767 1.00 33.34 C ATOM 1110 CD1 ILE A 74 -0.697 -2.333 -1.469 1.00 51.41 C ATOM 0 H ILE A 74 -1.788 -1.468 -4.984 1.00 43.24 H new ATOM 0 HA ILE A 74 -3.007 0.632 -3.588 1.00 65.42 H new ATOM 0 HB ILE A 74 -0.130 -0.401 -3.397 1.00 24.31 H new ATOM 0 HG12 ILE A 74 -2.578 -1.383 -1.854 1.00 75.14 H new ATOM 0 HG13 ILE A 74 -1.896 -2.211 -3.240 1.00 75.14 H new ATOM 0 HG21 ILE A 74 -0.227 0.337 -1.020 1.00 33.34 H new ATOM 0 HG22 ILE A 74 -0.430 1.697 -2.150 1.00 33.34 H new ATOM 0 HG23 ILE A 74 -1.845 1.019 -1.310 1.00 33.34 H new ATOM 0 HD11 ILE A 74 -1.167 -3.262 -1.146 1.00 51.41 H new ATOM 0 HD12 ILE A 74 0.225 -2.560 -2.005 1.00 51.41 H new ATOM 0 HD13 ILE A 74 -0.468 -1.720 -0.597 1.00 51.41 H new ATOM 1122 N GLN A 75 -0.400 1.439 -5.504 1.00 62.54 N ATOM 1123 CA GLN A 75 0.382 2.503 -6.153 1.00 71.30 C ATOM 1124 C GLN A 75 -0.526 3.490 -6.887 1.00 55.31 C ATOM 1125 O GLN A 75 -0.577 4.651 -6.513 1.00 13.54 O ATOM 1126 CB GLN A 75 1.403 1.870 -7.124 1.00 13.14 C ATOM 1127 CG GLN A 75 2.344 2.860 -7.838 1.00 10.13 C ATOM 1128 CD GLN A 75 3.291 2.193 -8.835 1.00 40.54 C ATOM 1129 OE1 GLN A 75 3.673 2.797 -9.831 1.00 60.51 O ATOM 1130 NE2 GLN A 75 3.703 0.961 -8.569 1.00 51.44 N ATOM 0 H GLN A 75 -0.111 0.502 -5.785 1.00 62.54 H new ATOM 0 HA GLN A 75 0.916 3.063 -5.385 1.00 71.30 H new ATOM 0 HB2 GLN A 75 2.010 1.155 -6.569 1.00 13.14 H new ATOM 0 HB3 GLN A 75 0.857 1.306 -7.880 1.00 13.14 H new ATOM 0 HG2 GLN A 75 1.745 3.605 -8.361 1.00 10.13 H new ATOM 0 HG3 GLN A 75 2.933 3.392 -7.091 1.00 10.13 H new ATOM 0 HE21 GLN A 75 3.369 0.481 -7.733 1.00 51.44 H new ATOM 0 HE22 GLN A 75 4.353 0.493 -9.200 1.00 51.44 H new ATOM 1139 N ASN A 76 -1.274 2.990 -7.893 1.00 34.31 N ATOM 1140 CA ASN A 76 -2.142 3.819 -8.747 1.00 22.52 C ATOM 1141 C ASN A 76 -3.243 4.536 -7.937 1.00 51.44 C ATOM 1142 O ASN A 76 -3.596 5.679 -8.254 1.00 15.14 O ATOM 1143 CB ASN A 76 -2.764 2.977 -9.898 1.00 22.41 C ATOM 1144 CG ASN A 76 -1.741 2.562 -10.962 1.00 31.03 C ATOM 1145 OD1 ASN A 76 -1.448 3.323 -11.879 1.00 4.10 O ATOM 1146 ND2 ASN A 76 -1.208 1.358 -10.865 1.00 25.04 N ATOM 0 H ASN A 76 -1.291 1.999 -8.134 1.00 34.31 H new ATOM 0 HA ASN A 76 -1.510 4.590 -9.187 1.00 22.52 H new ATOM 0 HB2 ASN A 76 -3.225 2.083 -9.478 1.00 22.41 H new ATOM 0 HB3 ASN A 76 -3.559 3.553 -10.372 1.00 22.41 H new ATOM 0 HD21 ASN A 76 -0.535 1.040 -11.563 1.00 25.04 H new ATOM 0 HD22 ASN A 76 -1.469 0.745 -10.092 1.00 25.04 H new ATOM 1153 N MET A 77 -3.782 3.853 -6.897 1.00 33.33 N ATOM 1154 CA MET A 77 -4.816 4.432 -6.014 1.00 34.53 C ATOM 1155 C MET A 77 -4.242 5.636 -5.239 1.00 32.41 C ATOM 1156 O MET A 77 -4.823 6.725 -5.257 1.00 54.14 O ATOM 1157 CB MET A 77 -5.374 3.345 -5.052 1.00 24.41 C ATOM 1158 CG MET A 77 -6.596 3.779 -4.204 1.00 71.35 C ATOM 1159 SD MET A 77 -6.194 4.881 -2.829 1.00 73.04 S ATOM 1160 CE MET A 77 -5.177 3.822 -1.803 1.00 0.04 C ATOM 0 H MET A 77 -3.515 2.900 -6.652 1.00 33.33 H new ATOM 0 HA MET A 77 -5.645 4.793 -6.623 1.00 34.53 H new ATOM 0 HB2 MET A 77 -5.652 2.470 -5.640 1.00 24.41 H new ATOM 0 HB3 MET A 77 -4.576 3.035 -4.378 1.00 24.41 H new ATOM 0 HG2 MET A 77 -7.316 4.276 -4.854 1.00 71.35 H new ATOM 0 HG3 MET A 77 -7.084 2.888 -3.809 1.00 71.35 H new ATOM 0 HE1 MET A 77 -4.617 4.432 -1.094 1.00 0.04 H new ATOM 0 HE2 MET A 77 -5.813 3.124 -1.259 1.00 0.04 H new ATOM 0 HE3 MET A 77 -4.482 3.266 -2.431 1.00 0.04 H new ATOM 1170 N LEU A 78 -3.072 5.429 -4.599 1.00 70.51 N ATOM 1171 CA LEU A 78 -2.363 6.478 -3.840 1.00 42.14 C ATOM 1172 C LEU A 78 -1.954 7.651 -4.758 1.00 44.34 C ATOM 1173 O LEU A 78 -2.061 8.798 -4.356 1.00 0.40 O ATOM 1174 CB LEU A 78 -1.108 5.895 -3.132 1.00 25.12 C ATOM 1175 CG LEU A 78 -1.359 4.921 -1.940 1.00 25.22 C ATOM 1176 CD1 LEU A 78 -0.036 4.319 -1.435 1.00 13.52 C ATOM 1177 CD2 LEU A 78 -2.109 5.624 -0.793 1.00 22.11 C ATOM 0 H LEU A 78 -2.593 4.529 -4.595 1.00 70.51 H new ATOM 0 HA LEU A 78 -3.049 6.856 -3.083 1.00 42.14 H new ATOM 0 HB2 LEU A 78 -0.510 5.371 -3.878 1.00 25.12 H new ATOM 0 HB3 LEU A 78 -0.506 6.728 -2.769 1.00 25.12 H new ATOM 0 HG LEU A 78 -1.988 4.108 -2.304 1.00 25.22 H new ATOM 0 HD11 LEU A 78 -0.238 3.643 -0.604 1.00 13.52 H new ATOM 0 HD12 LEU A 78 0.444 3.767 -2.243 1.00 13.52 H new ATOM 0 HD13 LEU A 78 0.624 5.120 -1.100 1.00 13.52 H new ATOM 0 HD21 LEU A 78 -2.269 4.919 0.023 1.00 22.11 H new ATOM 0 HD22 LEU A 78 -1.518 6.466 -0.434 1.00 22.11 H new ATOM 0 HD23 LEU A 78 -3.072 5.985 -1.155 1.00 22.11 H new ATOM 1189 N GLN A 79 -1.505 7.330 -5.992 1.00 73.31 N ATOM 1190 CA GLN A 79 -1.071 8.328 -6.996 1.00 72.05 C ATOM 1191 C GLN A 79 -2.246 9.209 -7.456 1.00 23.22 C ATOM 1192 O GLN A 79 -2.063 10.400 -7.725 1.00 31.42 O ATOM 1193 CB GLN A 79 -0.401 7.638 -8.219 1.00 52.23 C ATOM 1194 CG GLN A 79 0.972 7.019 -7.911 1.00 43.53 C ATOM 1195 CD GLN A 79 1.655 6.359 -9.108 1.00 62.13 C ATOM 1196 OE1 GLN A 79 0.996 5.825 -9.999 1.00 64.12 O ATOM 1197 NE2 GLN A 79 2.981 6.392 -9.140 1.00 22.33 N ATOM 0 H GLN A 79 -1.433 6.367 -6.321 1.00 73.31 H new ATOM 0 HA GLN A 79 -0.333 8.971 -6.516 1.00 72.05 H new ATOM 0 HB2 GLN A 79 -1.065 6.858 -8.592 1.00 52.23 H new ATOM 0 HB3 GLN A 79 -0.287 8.369 -9.019 1.00 52.23 H new ATOM 0 HG2 GLN A 79 1.627 7.797 -7.519 1.00 43.53 H new ATOM 0 HG3 GLN A 79 0.852 6.276 -7.122 1.00 43.53 H new ATOM 0 HE21 GLN A 79 3.498 6.843 -8.385 1.00 22.33 H new ATOM 0 HE22 GLN A 79 3.483 5.967 -9.919 1.00 22.33 H new ATOM 1206 N PHE A 80 -3.447 8.602 -7.524 1.00 12.34 N ATOM 1207 CA PHE A 80 -4.688 9.280 -7.940 1.00 1.23 C ATOM 1208 C PHE A 80 -5.050 10.427 -6.965 1.00 40.44 C ATOM 1209 O PHE A 80 -5.661 11.425 -7.369 1.00 35.20 O ATOM 1210 CB PHE A 80 -5.825 8.226 -8.018 1.00 20.32 C ATOM 1211 CG PHE A 80 -7.193 8.741 -8.491 1.00 23.04 C ATOM 1212 CD1 PHE A 80 -7.486 8.854 -9.847 1.00 51.44 C ATOM 1213 CD2 PHE A 80 -8.196 9.071 -7.573 1.00 74.32 C ATOM 1214 CE1 PHE A 80 -8.729 9.289 -10.268 1.00 13.11 C ATOM 1215 CE2 PHE A 80 -9.432 9.509 -7.995 1.00 62.32 C ATOM 1216 CZ PHE A 80 -9.701 9.613 -9.340 1.00 23.21 C ATOM 0 H PHE A 80 -3.583 7.619 -7.289 1.00 12.34 H new ATOM 0 HA PHE A 80 -4.546 9.733 -8.921 1.00 1.23 H new ATOM 0 HB2 PHE A 80 -5.508 7.428 -8.690 1.00 20.32 H new ATOM 0 HB3 PHE A 80 -5.949 7.781 -7.031 1.00 20.32 H new ATOM 0 HD1 PHE A 80 -6.734 8.599 -10.579 1.00 51.44 H new ATOM 0 HD2 PHE A 80 -7.998 8.981 -6.515 1.00 74.32 H new ATOM 0 HE1 PHE A 80 -8.941 9.376 -11.323 1.00 13.11 H new ATOM 0 HE2 PHE A 80 -10.189 9.770 -7.271 1.00 62.32 H new ATOM 0 HZ PHE A 80 -10.673 9.948 -9.671 1.00 23.21 H new ATOM 1226 N TYR A 81 -4.677 10.263 -5.678 1.00 74.54 N ATOM 1227 CA TYR A 81 -4.957 11.256 -4.619 1.00 12.04 C ATOM 1228 C TYR A 81 -3.704 12.093 -4.268 1.00 61.15 C ATOM 1229 O TYR A 81 -3.828 13.251 -3.833 1.00 70.41 O ATOM 1230 CB TYR A 81 -5.515 10.535 -3.361 1.00 63.01 C ATOM 1231 CG TYR A 81 -6.839 9.796 -3.627 1.00 41.22 C ATOM 1232 CD1 TYR A 81 -8.029 10.508 -3.787 1.00 34.24 C ATOM 1233 CD2 TYR A 81 -6.892 8.400 -3.758 1.00 62.40 C ATOM 1234 CE1 TYR A 81 -9.216 9.862 -4.068 1.00 63.43 C ATOM 1235 CE2 TYR A 81 -8.080 7.750 -4.032 1.00 3.13 C ATOM 1236 CZ TYR A 81 -9.239 8.486 -4.190 1.00 44.55 C ATOM 1237 OH TYR A 81 -10.423 7.846 -4.493 1.00 63.11 O ATOM 0 H TYR A 81 -4.174 9.440 -5.344 1.00 74.54 H new ATOM 0 HA TYR A 81 -5.707 11.953 -4.994 1.00 12.04 H new ATOM 0 HB2 TYR A 81 -4.774 9.822 -2.999 1.00 63.01 H new ATOM 0 HB3 TYR A 81 -5.667 11.267 -2.568 1.00 63.01 H new ATOM 0 HD1 TYR A 81 -8.021 11.584 -3.689 1.00 34.24 H new ATOM 0 HD2 TYR A 81 -5.987 7.822 -3.642 1.00 62.40 H new ATOM 0 HE1 TYR A 81 -10.125 10.431 -4.192 1.00 63.43 H new ATOM 0 HE2 TYR A 81 -8.103 6.674 -4.122 1.00 3.13 H new ATOM 0 HH TYR A 81 -10.233 7.028 -4.997 1.00 63.11 H new ATOM 1247 N ILE A 82 -2.503 11.507 -4.481 1.00 14.44 N ATOM 1248 CA ILE A 82 -1.213 12.047 -3.973 1.00 2.44 C ATOM 1249 C ILE A 82 -0.121 11.980 -5.080 1.00 21.23 C ATOM 1250 O ILE A 82 0.273 10.881 -5.475 1.00 1.30 O ATOM 1251 CB ILE A 82 -0.703 11.233 -2.717 1.00 45.22 C ATOM 1252 CG1 ILE A 82 -1.785 11.165 -1.587 1.00 63.40 C ATOM 1253 CG2 ILE A 82 0.619 11.820 -2.176 1.00 61.44 C ATOM 1254 CD1 ILE A 82 -1.436 10.237 -0.436 1.00 0.22 C ATOM 0 H ILE A 82 -2.397 10.643 -5.012 1.00 14.44 H new ATOM 0 HA ILE A 82 -1.390 13.083 -3.682 1.00 2.44 H new ATOM 0 HB ILE A 82 -0.514 10.212 -3.050 1.00 45.22 H new ATOM 0 HG12 ILE A 82 -1.944 12.169 -1.193 1.00 63.40 H new ATOM 0 HG13 ILE A 82 -2.729 10.841 -2.025 1.00 63.40 H new ATOM 0 HG21 ILE A 82 0.947 11.242 -1.312 1.00 61.44 H new ATOM 0 HG22 ILE A 82 1.382 11.776 -2.954 1.00 61.44 H new ATOM 0 HG23 ILE A 82 0.462 12.857 -1.880 1.00 61.44 H new ATOM 0 HD11 ILE A 82 -2.240 10.252 0.300 1.00 0.22 H new ATOM 0 HD12 ILE A 82 -1.307 9.222 -0.813 1.00 0.22 H new ATOM 0 HD13 ILE A 82 -0.510 10.570 0.032 1.00 0.22 H new ATOM 1266 N PRO A 83 0.390 13.152 -5.584 1.00 33.04 N ATOM 1267 CA PRO A 83 1.482 13.187 -6.597 1.00 22.33 C ATOM 1268 C PRO A 83 2.888 12.903 -6.001 1.00 72.22 C ATOM 1269 O PRO A 83 3.847 12.721 -6.752 1.00 73.13 O ATOM 1270 CB PRO A 83 1.360 14.625 -7.176 1.00 23.03 C ATOM 1271 CG PRO A 83 0.834 15.451 -6.034 1.00 43.14 C ATOM 1272 CD PRO A 83 -0.080 14.527 -5.239 1.00 10.21 C ATOM 0 HA PRO A 83 1.380 12.405 -7.349 1.00 22.33 H new ATOM 0 HB2 PRO A 83 2.325 14.996 -7.522 1.00 23.03 H new ATOM 0 HB3 PRO A 83 0.683 14.652 -8.030 1.00 23.03 H new ATOM 0 HG2 PRO A 83 1.649 15.824 -5.413 1.00 43.14 H new ATOM 0 HG3 PRO A 83 0.288 16.321 -6.400 1.00 43.14 H new ATOM 0 HD2 PRO A 83 -0.002 14.716 -4.168 1.00 10.21 H new ATOM 0 HD3 PRO A 83 -1.125 14.670 -5.513 1.00 10.21 H new ATOM 1280 N GLU A 84 3.004 12.858 -4.653 1.00 72.03 N ATOM 1281 CA GLU A 84 4.278 12.518 -3.967 1.00 71.43 C ATOM 1282 C GLU A 84 4.602 11.018 -4.112 1.00 23.13 C ATOM 1283 O GLU A 84 5.775 10.629 -4.069 1.00 50.11 O ATOM 1284 CB GLU A 84 4.249 12.905 -2.458 1.00 64.22 C ATOM 1285 CG GLU A 84 4.290 14.425 -2.155 1.00 31.14 C ATOM 1286 CD GLU A 84 3.126 15.223 -2.760 1.00 53.11 C ATOM 1287 OE1 GLU A 84 1.974 14.963 -2.393 1.00 4.11 O ATOM 1288 OE2 GLU A 84 3.354 16.088 -3.629 1.00 24.01 O ATOM 0 H GLU A 84 2.231 13.053 -4.016 1.00 72.03 H new ATOM 0 HA GLU A 84 5.061 13.101 -4.452 1.00 71.43 H new ATOM 0 HB2 GLU A 84 3.346 12.488 -2.012 1.00 64.22 H new ATOM 0 HB3 GLU A 84 5.097 12.431 -1.964 1.00 64.22 H new ATOM 0 HG2 GLU A 84 4.290 14.568 -1.074 1.00 31.14 H new ATOM 0 HG3 GLU A 84 5.228 14.833 -2.530 1.00 31.14 H new ATOM 1295 N VAL A 85 3.555 10.185 -4.265 1.00 22.02 N ATOM 1296 CA VAL A 85 3.714 8.741 -4.458 1.00 62.32 C ATOM 1297 C VAL A 85 4.214 8.482 -5.893 1.00 41.41 C ATOM 1298 O VAL A 85 3.470 8.615 -6.863 1.00 2.23 O ATOM 1299 CB VAL A 85 2.378 7.965 -4.170 1.00 63.12 C ATOM 1300 CG1 VAL A 85 2.533 6.437 -4.405 1.00 22.12 C ATOM 1301 CG2 VAL A 85 1.879 8.256 -2.729 1.00 14.31 C ATOM 0 H VAL A 85 2.584 10.497 -4.258 1.00 22.02 H new ATOM 0 HA VAL A 85 4.448 8.366 -3.745 1.00 62.32 H new ATOM 0 HB VAL A 85 1.630 8.325 -4.877 1.00 63.12 H new ATOM 0 HG11 VAL A 85 1.587 5.939 -4.195 1.00 22.12 H new ATOM 0 HG12 VAL A 85 2.816 6.255 -5.442 1.00 22.12 H new ATOM 0 HG13 VAL A 85 3.305 6.044 -3.744 1.00 22.12 H new ATOM 0 HG21 VAL A 85 0.953 7.710 -2.547 1.00 14.31 H new ATOM 0 HG22 VAL A 85 2.635 7.937 -2.011 1.00 14.31 H new ATOM 0 HG23 VAL A 85 1.698 9.325 -2.615 1.00 14.31 H new ATOM 1311 N GLU A 86 5.518 8.223 -5.995 1.00 32.14 N ATOM 1312 CA GLU A 86 6.187 7.828 -7.241 1.00 4.14 C ATOM 1313 C GLU A 86 6.063 6.304 -7.451 1.00 43.04 C ATOM 1314 O GLU A 86 6.149 5.815 -8.583 1.00 52.34 O ATOM 1315 CB GLU A 86 7.675 8.258 -7.197 1.00 1.11 C ATOM 1316 CG GLU A 86 7.893 9.788 -7.098 1.00 62.53 C ATOM 1317 CD GLU A 86 9.375 10.195 -7.004 1.00 43.22 C ATOM 1318 OE1 GLU A 86 10.097 10.121 -8.023 1.00 22.30 O ATOM 1319 OE2 GLU A 86 9.839 10.574 -5.909 1.00 14.42 O ATOM 0 H GLU A 86 6.154 8.282 -5.200 1.00 32.14 H new ATOM 0 HA GLU A 86 5.706 8.328 -8.081 1.00 4.14 H new ATOM 0 HB2 GLU A 86 8.155 7.778 -6.344 1.00 1.11 H new ATOM 0 HB3 GLU A 86 8.175 7.889 -8.093 1.00 1.11 H new ATOM 0 HG2 GLU A 86 7.448 10.267 -7.970 1.00 62.53 H new ATOM 0 HG3 GLU A 86 7.365 10.166 -6.223 1.00 62.53 H new ATOM 1326 N GLY A 87 5.868 5.564 -6.344 1.00 13.14 N ATOM 1327 CA GLY A 87 5.653 4.118 -6.395 1.00 23.11 C ATOM 1328 C GLY A 87 5.421 3.507 -5.016 1.00 72.33 C ATOM 1329 O GLY A 87 5.378 4.221 -4.008 1.00 54.31 O ATOM 0 H GLY A 87 5.856 5.953 -5.401 1.00 13.14 H new ATOM 0 HA2 GLY A 87 4.794 3.905 -7.031 1.00 23.11 H new ATOM 0 HA3 GLY A 87 6.518 3.642 -6.858 1.00 23.11 H new ATOM 1333 N VAL A 88 5.248 2.173 -4.997 1.00 73.42 N ATOM 1334 CA VAL A 88 5.121 1.340 -3.770 1.00 40.31 C ATOM 1335 C VAL A 88 6.161 0.195 -3.858 1.00 43.43 C ATOM 1336 O VAL A 88 6.553 -0.201 -4.963 1.00 13.14 O ATOM 1337 CB VAL A 88 3.642 0.767 -3.617 1.00 64.40 C ATOM 1338 CG1 VAL A 88 3.484 -0.256 -2.453 1.00 74.32 C ATOM 1339 CG2 VAL A 88 2.630 1.923 -3.436 1.00 30.35 C ATOM 0 H VAL A 88 5.190 1.622 -5.854 1.00 73.42 H new ATOM 0 HA VAL A 88 5.314 1.947 -2.886 1.00 40.31 H new ATOM 0 HB VAL A 88 3.435 0.226 -4.540 1.00 64.40 H new ATOM 0 HG11 VAL A 88 2.451 -0.602 -2.410 1.00 74.32 H new ATOM 0 HG12 VAL A 88 4.145 -1.106 -2.623 1.00 74.32 H new ATOM 0 HG13 VAL A 88 3.745 0.223 -1.509 1.00 74.32 H new ATOM 0 HG21 VAL A 88 1.625 1.514 -3.333 1.00 30.35 H new ATOM 0 HG22 VAL A 88 2.884 2.492 -2.542 1.00 30.35 H new ATOM 0 HG23 VAL A 88 2.667 2.579 -4.306 1.00 30.35 H new ATOM 1349 N GLU A 89 6.624 -0.314 -2.705 1.00 43.32 N ATOM 1350 CA GLU A 89 7.606 -1.420 -2.647 1.00 71.24 C ATOM 1351 C GLU A 89 7.296 -2.344 -1.457 1.00 72.24 C ATOM 1352 O GLU A 89 6.800 -1.892 -0.418 1.00 45.50 O ATOM 1353 CB GLU A 89 9.047 -0.857 -2.553 1.00 14.04 C ATOM 1354 CG GLU A 89 10.174 -1.907 -2.583 1.00 73.25 C ATOM 1355 CD GLU A 89 11.569 -1.270 -2.558 1.00 41.42 C ATOM 1356 OE1 GLU A 89 12.047 -0.900 -1.464 1.00 23.13 O ATOM 1357 OE2 GLU A 89 12.189 -1.104 -3.636 1.00 24.23 O ATOM 0 H GLU A 89 6.333 0.025 -1.788 1.00 43.32 H new ATOM 0 HA GLU A 89 7.531 -2.007 -3.562 1.00 71.24 H new ATOM 0 HB2 GLU A 89 9.201 -0.161 -3.378 1.00 14.04 H new ATOM 0 HB3 GLU A 89 9.134 -0.282 -1.631 1.00 14.04 H new ATOM 0 HG2 GLU A 89 10.067 -2.575 -1.728 1.00 73.25 H new ATOM 0 HG3 GLU A 89 10.073 -2.519 -3.480 1.00 73.25 H new ATOM 1364 N GLN A 90 7.596 -3.638 -1.636 1.00 64.24 N ATOM 1365 CA GLN A 90 7.408 -4.668 -0.615 1.00 25.23 C ATOM 1366 C GLN A 90 8.625 -4.719 0.326 1.00 11.22 C ATOM 1367 O GLN A 90 9.773 -4.721 -0.129 1.00 41.44 O ATOM 1368 CB GLN A 90 7.231 -6.044 -1.293 1.00 1.25 C ATOM 1369 CG GLN A 90 7.138 -7.246 -0.320 1.00 42.12 C ATOM 1370 CD GLN A 90 7.160 -8.599 -1.018 1.00 41.54 C ATOM 1371 OE1 GLN A 90 7.753 -8.750 -2.085 1.00 45.24 O ATOM 1372 NE2 GLN A 90 6.538 -9.592 -0.420 1.00 55.53 N ATOM 0 H GLN A 90 7.981 -4.000 -2.508 1.00 64.24 H new ATOM 0 HA GLN A 90 6.519 -4.425 -0.034 1.00 25.23 H new ATOM 0 HB2 GLN A 90 6.328 -6.018 -1.902 1.00 1.25 H new ATOM 0 HB3 GLN A 90 8.068 -6.209 -1.971 1.00 1.25 H new ATOM 0 HG2 GLN A 90 7.968 -7.197 0.385 1.00 42.12 H new ATOM 0 HG3 GLN A 90 6.220 -7.162 0.262 1.00 42.12 H new ATOM 0 HE21 GLN A 90 6.056 -9.433 0.465 1.00 55.53 H new ATOM 0 HE22 GLN A 90 6.538 -10.521 -0.841 1.00 55.53 H new ATOM 1381 N VAL A 91 8.349 -4.726 1.629 1.00 50.13 N ATOM 1382 CA VAL A 91 9.303 -5.083 2.690 1.00 3.11 C ATOM 1383 C VAL A 91 8.577 -6.065 3.627 1.00 41.53 C ATOM 1384 O VAL A 91 7.367 -5.957 3.814 1.00 13.24 O ATOM 1385 CB VAL A 91 9.836 -3.817 3.484 1.00 14.23 C ATOM 1386 CG1 VAL A 91 10.879 -3.019 2.657 1.00 53.14 C ATOM 1387 CG2 VAL A 91 8.673 -2.894 3.896 1.00 0.14 C ATOM 0 H VAL A 91 7.429 -4.477 1.992 1.00 50.13 H new ATOM 0 HA VAL A 91 10.191 -5.539 2.251 1.00 3.11 H new ATOM 0 HB VAL A 91 10.328 -4.187 4.384 1.00 14.23 H new ATOM 0 HG11 VAL A 91 11.220 -2.160 3.234 1.00 53.14 H new ATOM 0 HG12 VAL A 91 11.729 -3.662 2.426 1.00 53.14 H new ATOM 0 HG13 VAL A 91 10.421 -2.675 1.730 1.00 53.14 H new ATOM 0 HG21 VAL A 91 9.066 -2.034 4.439 1.00 0.14 H new ATOM 0 HG22 VAL A 91 8.147 -2.551 3.005 1.00 0.14 H new ATOM 0 HG23 VAL A 91 7.982 -3.443 4.536 1.00 0.14 H new ATOM 1397 N MET A 92 9.297 -7.061 4.163 1.00 60.43 N ATOM 1398 CA MET A 92 8.706 -8.114 5.021 1.00 12.54 C ATOM 1399 C MET A 92 9.516 -8.241 6.310 1.00 61.24 C ATOM 1400 O MET A 92 10.734 -8.440 6.263 1.00 2.32 O ATOM 1401 CB MET A 92 8.664 -9.487 4.275 1.00 21.33 C ATOM 1402 CG MET A 92 7.714 -9.538 3.068 1.00 43.15 C ATOM 1403 SD MET A 92 7.721 -11.140 2.233 1.00 21.34 S ATOM 1404 CE MET A 92 9.393 -11.230 1.582 1.00 72.21 C ATOM 0 H MET A 92 10.301 -7.165 4.019 1.00 60.43 H new ATOM 0 HA MET A 92 7.682 -7.830 5.262 1.00 12.54 H new ATOM 0 HB2 MET A 92 9.671 -9.731 3.937 1.00 21.33 H new ATOM 0 HB3 MET A 92 8.369 -10.261 4.984 1.00 21.33 H new ATOM 0 HG2 MET A 92 6.701 -9.312 3.400 1.00 43.15 H new ATOM 0 HG3 MET A 92 7.997 -8.762 2.357 1.00 43.15 H new ATOM 0 HE1 MET A 92 9.450 -12.022 0.835 1.00 72.21 H new ATOM 0 HE2 MET A 92 9.656 -10.277 1.122 1.00 72.21 H new ATOM 0 HE3 MET A 92 10.088 -11.446 2.393 1.00 72.21 H new ATOM 1414 N ASP A 93 8.828 -8.106 7.457 1.00 2.53 N ATOM 1415 CA ASP A 93 9.429 -8.311 8.780 1.00 22.41 C ATOM 1416 C ASP A 93 9.425 -9.806 9.128 1.00 34.41 C ATOM 1417 O ASP A 93 8.662 -10.273 9.990 1.00 71.40 O ATOM 1418 CB ASP A 93 8.685 -7.481 9.862 1.00 72.25 C ATOM 1419 CG ASP A 93 8.682 -5.981 9.558 1.00 34.43 C ATOM 1420 OD1 ASP A 93 7.884 -5.545 8.712 1.00 60.32 O ATOM 1421 OD2 ASP A 93 9.489 -5.220 10.155 1.00 11.35 O ATOM 0 H ASP A 93 7.841 -7.852 7.490 1.00 2.53 H new ATOM 0 HA ASP A 93 10.462 -7.963 8.755 1.00 22.41 H new ATOM 0 HB2 ASP A 93 7.657 -7.834 9.941 1.00 72.25 H new ATOM 0 HB3 ASP A 93 9.155 -7.650 10.831 1.00 72.25 H new ATOM 1426 N ASP A 94 10.242 -10.557 8.394 1.00 23.24 N ATOM 1427 CA ASP A 94 10.553 -11.952 8.707 1.00 30.23 C ATOM 1428 C ASP A 94 11.961 -11.960 9.291 1.00 4.43 C ATOM 1429 O ASP A 94 12.125 -12.133 10.508 1.00 54.51 O ATOM 1430 CB ASP A 94 10.446 -12.843 7.439 1.00 2.53 C ATOM 1431 CG ASP A 94 10.690 -14.347 7.720 1.00 42.01 C ATOM 1432 OD1 ASP A 94 11.863 -14.786 7.767 1.00 12.04 O ATOM 1433 OD2 ASP A 94 9.702 -15.097 7.893 1.00 53.40 O ATOM 0 H ASP A 94 10.712 -10.212 7.557 1.00 23.24 H new ATOM 0 HA ASP A 94 9.843 -12.366 9.423 1.00 30.23 H new ATOM 0 HB2 ASP A 94 9.456 -12.719 7.000 1.00 2.53 H new ATOM 0 HB3 ASP A 94 11.168 -12.498 6.699 1.00 2.53 H new ATOM 1438 N GLU A 95 12.960 -11.725 8.393 1.00 62.40 N ATOM 1439 CA GLU A 95 14.387 -11.520 8.725 1.00 23.23 C ATOM 1440 C GLU A 95 14.925 -12.590 9.714 1.00 43.51 C ATOM 1441 O GLU A 95 15.855 -12.337 10.484 1.00 74.41 O ATOM 1442 CB GLU A 95 14.593 -10.063 9.240 1.00 12.42 C ATOM 1443 CG GLU A 95 14.196 -8.960 8.211 1.00 75.14 C ATOM 1444 CD GLU A 95 14.483 -7.520 8.690 1.00 34.24 C ATOM 1445 OE1 GLU A 95 15.617 -7.028 8.491 1.00 23.24 O ATOM 1446 OE2 GLU A 95 13.581 -6.876 9.277 1.00 4.34 O ATOM 0 H GLU A 95 12.781 -11.673 7.390 1.00 62.40 H new ATOM 0 HA GLU A 95 14.980 -11.651 7.820 1.00 23.23 H new ATOM 0 HB2 GLU A 95 14.007 -9.924 10.149 1.00 12.42 H new ATOM 0 HB3 GLU A 95 15.640 -9.930 9.512 1.00 12.42 H new ATOM 0 HG2 GLU A 95 14.734 -9.136 7.280 1.00 75.14 H new ATOM 0 HG3 GLU A 95 13.133 -9.052 7.987 1.00 75.14 H new ATOM 1453 N SER A 96 14.353 -13.810 9.615 1.00 53.23 N ATOM 1454 CA SER A 96 14.590 -14.918 10.555 1.00 30.11 C ATOM 1455 C SER A 96 15.581 -15.926 9.928 1.00 13.03 C ATOM 1456 O SER A 96 15.369 -17.141 9.954 1.00 3.22 O ATOM 1457 CB SER A 96 13.215 -15.573 10.910 1.00 31.32 C ATOM 1458 OG SER A 96 13.326 -16.518 11.965 1.00 4.42 O ATOM 0 H SER A 96 13.704 -14.052 8.866 1.00 53.23 H new ATOM 0 HA SER A 96 15.042 -14.558 11.479 1.00 30.11 H new ATOM 0 HB2 SER A 96 12.507 -14.795 11.195 1.00 31.32 H new ATOM 0 HB3 SER A 96 12.810 -16.065 10.026 1.00 31.32 H new ATOM 0 HG SER A 96 14.031 -17.165 11.752 1.00 4.42 H new ATOM 1464 N ASP A 97 16.665 -15.385 9.352 1.00 74.10 N ATOM 1465 CA ASP A 97 17.725 -16.178 8.700 1.00 33.22 C ATOM 1466 C ASP A 97 18.674 -16.796 9.761 1.00 33.34 C ATOM 1467 O ASP A 97 18.711 -18.037 9.888 1.00 30.13 O ATOM 1468 CB ASP A 97 18.495 -15.312 7.652 1.00 11.33 C ATOM 1469 CG ASP A 97 19.012 -13.963 8.200 1.00 13.25 C ATOM 1470 OD1 ASP A 97 18.198 -13.026 8.354 1.00 32.45 O ATOM 1471 OD2 ASP A 97 20.221 -13.826 8.481 1.00 24.24 O ATOM 1472 OXT ASP A 97 19.355 -16.046 10.496 1.00 37.51 O ATOM 0 H ASP A 97 16.834 -14.380 9.324 1.00 74.10 H new ATOM 0 HA ASP A 97 17.265 -17.004 8.158 1.00 33.22 H new ATOM 0 HB2 ASP A 97 19.341 -15.886 7.275 1.00 11.33 H new ATOM 0 HB3 ASP A 97 17.838 -15.119 6.804 1.00 11.33 H new TER 1477 ASP A 97