USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 731 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 7 HIS :FLIP no HD1:sc= 0.78 F(o=-1.1,f=1.7) USER MOD Set 1.2: A 9 SER OG : rot -1:sc= 0.93 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0651 (180deg=-0.515) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.35 (180deg=0.965) USER MOD Single : A 3 HIS :FLIP no HE2:sc= -1.64! C(o=-3.3!,f=-1.6!) USER MOD Single : A 4 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.27) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 6 HIS : no HD1:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 51:sc= 0.225 USER MOD Single : A 16 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.9!) USER MOD Single : A 18 HIS : no HE2:sc= 0.716 K(o=0.72,f=-5.3!) USER MOD Single : A 20 THR OG1 : rot -64:sc= 0.196 USER MOD Single : A 21 HIS : no HE2:sc= -0.1! C(o=-0.1!,f=-5.7!) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 159:sc= -0.162 (180deg=-0.837) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0475 (180deg=-0.285) USER MOD Single : A 49 LYS NZ :NH3+ 171:sc= -0.377 (180deg=-0.485) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 56 SER OG : rot 160:sc= 0 USER MOD Single : A 57 MET CE :methyl 159:sc= -0.153 (180deg=-0.714) USER MOD Single : A 62 TYR OH : rot 39:sc= 0.792 USER MOD Single : A 65 SER OG : rot 14:sc= 1.24 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0507 USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= 1.01 (180deg=0.82) USER MOD Single : A 73 SER OG : rot -40:sc= 0.114 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -8:sc= 0.434 USER MOD Single : A 91 HIS : no HE2:sc= 1.09 K(o=1.1,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.435 6.868 -24.844 1.00 22.12 N ATOM 2 CA MET A 1 -17.508 6.209 -23.897 1.00 74.52 C ATOM 3 C MET A 1 -17.986 4.800 -23.584 1.00 43.15 C ATOM 4 O MET A 1 -19.097 4.417 -23.952 1.00 4.35 O ATOM 5 CB MET A 1 -17.384 7.017 -22.601 1.00 20.15 C ATOM 6 CG MET A 1 -16.520 8.263 -22.730 1.00 34.34 C ATOM 7 SD MET A 1 -17.227 9.498 -23.841 1.00 61.23 S ATOM 8 CE MET A 1 -18.692 9.976 -22.930 1.00 32.01 C ATOM 0 H1 MET A 1 -18.345 7.900 -24.756 1.00 22.12 H new ATOM 0 H2 MET A 1 -18.200 6.582 -25.816 1.00 22.12 H new ATOM 0 H3 MET A 1 -19.412 6.586 -24.627 1.00 22.12 H new ATOM 0 HA MET A 1 -16.526 6.157 -24.367 1.00 74.52 H new ATOM 0 HB2 MET A 1 -18.380 7.311 -22.271 1.00 20.15 H new ATOM 0 HB3 MET A 1 -16.967 6.377 -21.824 1.00 20.15 H new ATOM 0 HG2 MET A 1 -16.381 8.706 -21.744 1.00 34.34 H new ATOM 0 HG3 MET A 1 -15.533 7.978 -23.093 1.00 34.34 H new ATOM 0 HE1 MET A 1 -19.059 10.931 -23.306 1.00 32.01 H new ATOM 0 HE2 MET A 1 -19.463 9.216 -23.056 1.00 32.01 H new ATOM 0 HE3 MET A 1 -18.447 10.073 -21.872 1.00 32.01 H new ATOM 20 N GLY A 2 -17.143 4.034 -22.911 1.00 41.22 N ATOM 21 CA GLY A 2 -17.468 2.662 -22.588 1.00 75.21 C ATOM 22 C GLY A 2 -16.226 1.804 -22.576 1.00 21.51 C ATOM 23 O GLY A 2 -15.985 1.027 -23.501 1.00 14.14 O ATOM 0 H GLY A 2 -16.229 4.343 -22.579 1.00 41.22 H new ATOM 0 HA2 GLY A 2 -17.954 2.619 -21.614 1.00 75.21 H new ATOM 0 HA3 GLY A 2 -18.178 2.271 -23.316 1.00 75.21 H new ATOM 27 N HIS A 3 -15.418 1.966 -21.545 1.00 53.04 N ATOM 28 CA HIS A 3 -14.163 1.246 -21.440 1.00 33.45 C ATOM 29 C HIS A 3 -14.218 0.260 -20.282 1.00 12.45 C ATOM 30 O HIS A 3 -14.439 0.647 -19.137 1.00 32.01 O ATOM 31 CB HIS A 3 -13.001 2.229 -21.241 1.00 13.30 C ATOM 32 CG HIS A 3 -11.652 1.580 -21.248 1.00 55.53 C ATOM 33 ND1 HIS A 3 -10.840 1.239 -22.275 1.00 21.41 N flip ATOM 34 CD2 HIS A 3 -10.985 1.214 -20.098 1.00 43.44 C flip ATOM 35 CE1 HIS A 3 -9.711 0.681 -21.732 1.00 74.43 C flip ATOM 36 NE2 HIS A 3 -9.823 0.680 -20.420 1.00 55.12 N flip ATOM 0 H HIS A 3 -15.610 2.594 -20.764 1.00 53.04 H new ATOM 0 HA HIS A 3 -14.000 0.693 -22.365 1.00 33.45 H new ATOM 0 HB2 HIS A 3 -13.036 2.982 -22.028 1.00 13.30 H new ATOM 0 HB3 HIS A 3 -13.138 2.751 -20.294 1.00 13.30 H new ATOM 0 HD1 HIS A 3 -11.032 1.372 -23.268 1.00 21.41 H new ATOM 0 HD2 HIS A 3 -11.356 1.344 -19.092 1.00 43.44 H new ATOM 0 HE1 HIS A 3 -8.867 0.304 -22.290 1.00 74.43 H new ATOM 45 N HIS A 4 -14.013 -1.011 -20.582 1.00 53.41 N ATOM 46 CA HIS A 4 -14.002 -2.031 -19.544 1.00 63.41 C ATOM 47 C HIS A 4 -12.602 -2.617 -19.410 1.00 43.01 C ATOM 48 O HIS A 4 -12.125 -3.342 -20.280 1.00 74.43 O ATOM 49 CB HIS A 4 -15.054 -3.132 -19.805 1.00 52.24 C ATOM 50 CG HIS A 4 -14.829 -3.966 -21.039 1.00 71.32 C ATOM 51 ND1 HIS A 4 -14.397 -5.277 -20.997 1.00 70.13 N ATOM 52 CD2 HIS A 4 -14.996 -3.673 -22.350 1.00 1.24 C ATOM 53 CE1 HIS A 4 -14.306 -5.750 -22.227 1.00 12.34 C ATOM 54 NE2 HIS A 4 -14.665 -4.796 -23.064 1.00 25.23 N ATOM 0 H HIS A 4 -13.853 -1.361 -21.527 1.00 53.41 H new ATOM 0 HA HIS A 4 -14.276 -1.560 -18.600 1.00 63.41 H new ATOM 0 HB2 HIS A 4 -15.083 -3.795 -18.940 1.00 52.24 H new ATOM 0 HB3 HIS A 4 -16.035 -2.662 -19.879 1.00 52.24 H new ATOM 0 HD2 HIS A 4 -15.328 -2.730 -22.758 1.00 1.24 H new ATOM 0 HE1 HIS A 4 -13.992 -6.746 -22.500 1.00 12.34 H new ATOM 0 HE2 HIS A 4 -14.692 -4.880 -24.080 1.00 25.23 H new ATOM 63 N HIS A 5 -11.926 -2.243 -18.339 1.00 53.42 N ATOM 64 CA HIS A 5 -10.596 -2.754 -18.052 1.00 1.15 C ATOM 65 C HIS A 5 -10.630 -3.558 -16.757 1.00 4.32 C ATOM 66 O HIS A 5 -10.331 -3.041 -15.680 1.00 24.02 O ATOM 67 CB HIS A 5 -9.607 -1.588 -17.950 1.00 30.34 C ATOM 68 CG HIS A 5 -8.172 -1.988 -17.786 1.00 53.31 C ATOM 69 ND1 HIS A 5 -7.502 -1.895 -16.589 1.00 54.33 N ATOM 70 CD2 HIS A 5 -7.271 -2.448 -18.684 1.00 45.24 C ATOM 71 CE1 HIS A 5 -6.251 -2.275 -16.757 1.00 54.54 C ATOM 72 NE2 HIS A 5 -6.080 -2.616 -18.022 1.00 23.14 N ATOM 0 H HIS A 5 -12.279 -1.581 -17.648 1.00 53.42 H new ATOM 0 HA HIS A 5 -10.268 -3.411 -18.858 1.00 1.15 H new ATOM 0 HB2 HIS A 5 -9.698 -0.975 -18.847 1.00 30.34 H new ATOM 0 HB3 HIS A 5 -9.893 -0.961 -17.105 1.00 30.34 H new ATOM 0 HD2 HIS A 5 -7.455 -2.647 -19.730 1.00 45.24 H new ATOM 0 HE1 HIS A 5 -5.492 -2.303 -15.989 1.00 54.54 H new ATOM 0 HE2 HIS A 5 -5.209 -2.948 -18.437 1.00 23.14 H new ATOM 81 N HIS A 6 -11.029 -4.812 -16.861 1.00 45.40 N ATOM 82 CA HIS A 6 -11.201 -5.654 -15.690 1.00 74.22 C ATOM 83 C HIS A 6 -10.613 -7.035 -15.934 1.00 33.31 C ATOM 84 O HIS A 6 -11.146 -7.821 -16.717 1.00 44.15 O ATOM 85 CB HIS A 6 -12.690 -5.764 -15.333 1.00 21.14 C ATOM 86 CG HIS A 6 -12.964 -6.569 -14.097 1.00 4.44 C ATOM 87 ND1 HIS A 6 -13.160 -6.001 -12.858 1.00 71.13 N ATOM 88 CD2 HIS A 6 -13.087 -7.908 -13.918 1.00 0.13 C ATOM 89 CE1 HIS A 6 -13.389 -6.952 -11.972 1.00 11.44 C ATOM 90 NE2 HIS A 6 -13.351 -8.119 -12.587 1.00 51.22 N ATOM 0 H HIS A 6 -11.241 -5.272 -17.747 1.00 45.40 H new ATOM 0 HA HIS A 6 -10.671 -5.198 -14.854 1.00 74.22 H new ATOM 0 HB2 HIS A 6 -13.096 -4.761 -15.198 1.00 21.14 H new ATOM 0 HB3 HIS A 6 -13.222 -6.213 -16.172 1.00 21.14 H new ATOM 0 HD2 HIS A 6 -12.994 -8.667 -14.681 1.00 0.13 H new ATOM 0 HE1 HIS A 6 -13.576 -6.800 -10.919 1.00 11.44 H new ATOM 0 HE2 HIS A 6 -13.494 -9.028 -12.146 1.00 51.22 H new ATOM 99 N HIS A 7 -9.515 -7.324 -15.261 1.00 34.15 N ATOM 100 CA HIS A 7 -8.891 -8.628 -15.350 1.00 65.00 C ATOM 101 C HIS A 7 -8.685 -9.173 -13.946 1.00 31.54 C ATOM 102 O HIS A 7 -7.877 -8.645 -13.184 1.00 32.25 O ATOM 103 CB HIS A 7 -7.558 -8.538 -16.101 1.00 75.41 C ATOM 104 CG HIS A 7 -7.103 -9.841 -16.685 1.00 10.02 C ATOM 105 ND1 HIS A 7 -6.716 -10.993 -16.095 1.00 55.04 N flip ATOM 106 CD2 HIS A 7 -7.006 -10.061 -18.040 1.00 53.41 C flip ATOM 107 CE1 HIS A 7 -6.397 -11.880 -17.090 1.00 63.14 C flip ATOM 108 NE2 HIS A 7 -6.582 -11.291 -18.255 1.00 43.31 N flip ATOM 0 H HIS A 7 -9.036 -6.668 -14.644 1.00 34.15 H new ATOM 0 HA HIS A 7 -9.538 -9.305 -15.908 1.00 65.00 H new ATOM 0 HB2 HIS A 7 -7.652 -7.805 -16.902 1.00 75.41 H new ATOM 0 HB3 HIS A 7 -6.792 -8.169 -15.419 1.00 75.41 H new ATOM 0 HD2 HIS A 7 -7.241 -9.339 -18.808 1.00 53.41 H new ATOM 0 HE1 HIS A 7 -6.052 -12.893 -16.944 1.00 63.14 H new ATOM 0 HE2 HIS A 7 -6.424 -11.715 -19.169 1.00 43.31 H new ATOM 117 N HIS A 8 -9.442 -10.202 -13.597 1.00 2.53 N ATOM 118 CA HIS A 8 -9.401 -10.756 -12.250 1.00 24.33 C ATOM 119 C HIS A 8 -8.063 -11.438 -11.979 1.00 4.02 C ATOM 120 O HIS A 8 -7.517 -11.318 -10.883 1.00 64.31 O ATOM 121 CB HIS A 8 -10.553 -11.745 -12.036 1.00 33.11 C ATOM 122 CG HIS A 8 -10.603 -12.331 -10.655 1.00 25.30 C ATOM 123 ND1 HIS A 8 -10.590 -13.686 -10.421 1.00 72.24 N ATOM 124 CD2 HIS A 8 -10.683 -11.742 -9.436 1.00 43.24 C ATOM 125 CE1 HIS A 8 -10.657 -13.910 -9.123 1.00 50.53 C ATOM 126 NE2 HIS A 8 -10.714 -12.747 -8.502 1.00 1.11 N ATOM 0 H HIS A 8 -10.093 -10.671 -14.227 1.00 2.53 H new ATOM 0 HA HIS A 8 -9.514 -9.931 -11.546 1.00 24.33 H new ATOM 0 HB2 HIS A 8 -11.496 -11.238 -12.239 1.00 33.11 H new ATOM 0 HB3 HIS A 8 -10.463 -12.554 -12.760 1.00 33.11 H new ATOM 0 HD2 HIS A 8 -10.716 -10.681 -9.237 1.00 43.24 H new ATOM 0 HE1 HIS A 8 -10.664 -14.880 -8.649 1.00 50.53 H new ATOM 0 HE2 HIS A 8 -10.772 -12.616 -7.492 1.00 1.11 H new ATOM 135 N SER A 9 -7.553 -12.153 -12.982 1.00 33.30 N ATOM 136 CA SER A 9 -6.275 -12.853 -12.870 1.00 71.42 C ATOM 137 C SER A 9 -6.325 -13.896 -11.757 1.00 35.13 C ATOM 138 O SER A 9 -7.404 -14.345 -11.359 1.00 23.52 O ATOM 139 CB SER A 9 -5.139 -11.853 -12.605 1.00 35.33 C ATOM 140 OG SER A 9 -4.992 -10.936 -13.676 1.00 11.02 O ATOM 0 H SER A 9 -8.010 -12.262 -13.887 1.00 33.30 H new ATOM 0 HA SER A 9 -6.083 -13.364 -13.814 1.00 71.42 H new ATOM 0 HB2 SER A 9 -5.341 -11.308 -11.683 1.00 35.33 H new ATOM 0 HB3 SER A 9 -4.204 -12.394 -12.457 1.00 35.33 H new ATOM 0 HG SER A 9 -5.647 -11.142 -14.375 1.00 11.02 H new ATOM 146 N HIS A 10 -5.156 -14.315 -11.295 1.00 23.12 N ATOM 147 CA HIS A 10 -5.049 -15.181 -10.133 1.00 0.24 C ATOM 148 C HIS A 10 -3.960 -14.655 -9.208 1.00 5.11 C ATOM 149 O HIS A 10 -2.773 -14.926 -9.402 1.00 1.30 O ATOM 150 CB HIS A 10 -4.763 -16.632 -10.543 1.00 64.40 C ATOM 151 CG HIS A 10 -5.905 -17.276 -11.267 1.00 31.43 C ATOM 152 ND1 HIS A 10 -5.968 -17.391 -12.641 1.00 33.05 N ATOM 153 CD2 HIS A 10 -7.043 -17.837 -10.796 1.00 14.51 C ATOM 154 CE1 HIS A 10 -7.094 -17.992 -12.981 1.00 55.01 C ATOM 155 NE2 HIS A 10 -7.762 -18.272 -11.880 1.00 15.41 N ATOM 0 H HIS A 10 -4.260 -14.065 -11.713 1.00 23.12 H new ATOM 0 HA HIS A 10 -6.002 -15.176 -9.604 1.00 0.24 H new ATOM 0 HB2 HIS A 10 -3.878 -16.655 -11.179 1.00 64.40 H new ATOM 0 HB3 HIS A 10 -4.531 -17.215 -9.652 1.00 64.40 H new ATOM 0 HD2 HIS A 10 -7.331 -17.926 -9.759 1.00 14.51 H new ATOM 0 HE1 HIS A 10 -7.413 -18.216 -13.988 1.00 55.01 H new ATOM 0 HE2 HIS A 10 -8.669 -18.738 -11.840 1.00 15.41 H new ATOM 164 N GLY A 11 -4.374 -13.881 -8.215 1.00 45.01 N ATOM 165 CA GLY A 11 -3.430 -13.220 -7.336 1.00 43.23 C ATOM 166 C GLY A 11 -2.986 -14.097 -6.185 1.00 4.23 C ATOM 167 O GLY A 11 -3.388 -13.881 -5.041 1.00 12.15 O ATOM 0 H GLY A 11 -5.354 -13.698 -8.001 1.00 45.01 H new ATOM 0 HA2 GLY A 11 -2.556 -12.915 -7.912 1.00 43.23 H new ATOM 0 HA3 GLY A 11 -3.884 -12.311 -6.940 1.00 43.23 H new ATOM 171 N ASP A 12 -2.175 -15.101 -6.491 1.00 61.32 N ATOM 172 CA ASP A 12 -1.617 -15.972 -5.463 1.00 3.44 C ATOM 173 C ASP A 12 -0.244 -15.474 -5.037 1.00 10.11 C ATOM 174 O ASP A 12 0.122 -15.545 -3.864 1.00 73.51 O ATOM 175 CB ASP A 12 -1.517 -17.412 -5.972 1.00 23.15 C ATOM 176 CG ASP A 12 -0.871 -18.340 -4.961 1.00 71.03 C ATOM 177 OD1 ASP A 12 -1.502 -18.632 -3.924 1.00 74.44 O ATOM 178 OD2 ASP A 12 0.274 -18.780 -5.198 1.00 2.10 O ATOM 0 H ASP A 12 -1.888 -15.333 -7.442 1.00 61.32 H new ATOM 0 HA ASP A 12 -2.283 -15.954 -4.601 1.00 3.44 H new ATOM 0 HB2 ASP A 12 -2.515 -17.779 -6.213 1.00 23.15 H new ATOM 0 HB3 ASP A 12 -0.940 -17.428 -6.897 1.00 23.15 H new ATOM 183 N ASP A 13 0.508 -14.971 -6.004 1.00 14.12 N ATOM 184 CA ASP A 13 1.840 -14.436 -5.751 1.00 15.41 C ATOM 185 C ASP A 13 1.808 -12.912 -5.763 1.00 10.13 C ATOM 186 O ASP A 13 2.457 -12.257 -4.947 1.00 22.52 O ATOM 187 CB ASP A 13 2.824 -14.951 -6.807 1.00 43.13 C ATOM 188 CG ASP A 13 2.499 -14.463 -8.208 1.00 50.02 C ATOM 189 OD1 ASP A 13 1.409 -14.798 -8.725 1.00 23.44 O ATOM 190 OD2 ASP A 13 3.327 -13.738 -8.796 1.00 53.44 O ATOM 0 H ASP A 13 0.216 -14.921 -6.980 1.00 14.12 H new ATOM 0 HA ASP A 13 2.171 -14.771 -4.768 1.00 15.41 H new ATOM 0 HB2 ASP A 13 3.832 -14.633 -6.542 1.00 43.13 H new ATOM 0 HB3 ASP A 13 2.821 -16.041 -6.798 1.00 43.13 H new ATOM 195 N SER A 14 1.043 -12.357 -6.695 1.00 4.42 N ATOM 196 CA SER A 14 0.886 -10.921 -6.802 1.00 10.31 C ATOM 197 C SER A 14 -0.079 -10.421 -5.737 1.00 22.54 C ATOM 198 O SER A 14 -1.290 -10.654 -5.825 1.00 73.02 O ATOM 199 CB SER A 14 0.377 -10.561 -8.198 1.00 55.45 C ATOM 200 OG SER A 14 -0.793 -11.301 -8.513 1.00 33.02 O ATOM 0 H SER A 14 0.520 -12.889 -7.390 1.00 4.42 H new ATOM 0 HA SER A 14 1.852 -10.440 -6.645 1.00 10.31 H new ATOM 0 HB2 SER A 14 0.162 -9.494 -8.248 1.00 55.45 H new ATOM 0 HB3 SER A 14 1.152 -10.765 -8.937 1.00 55.45 H new ATOM 0 HG SER A 14 -1.441 -11.214 -7.783 1.00 33.02 H new ATOM 206 N VAL A 15 0.457 -9.760 -4.724 1.00 21.01 N ATOM 207 CA VAL A 15 -0.353 -9.275 -3.618 1.00 63.02 C ATOM 208 C VAL A 15 -1.153 -8.042 -4.027 1.00 5.31 C ATOM 209 O VAL A 15 -0.768 -7.309 -4.942 1.00 32.33 O ATOM 210 CB VAL A 15 0.502 -8.946 -2.374 1.00 60.24 C ATOM 211 CG1 VAL A 15 1.176 -10.203 -1.843 1.00 21.35 C ATOM 212 CG2 VAL A 15 1.538 -7.875 -2.689 1.00 33.24 C ATOM 0 H VAL A 15 1.451 -9.547 -4.645 1.00 21.01 H new ATOM 0 HA VAL A 15 -1.039 -10.080 -3.356 1.00 63.02 H new ATOM 0 HB VAL A 15 -0.161 -8.555 -1.602 1.00 60.24 H new ATOM 0 HG11 VAL A 15 1.774 -9.953 -0.967 1.00 21.35 H new ATOM 0 HG12 VAL A 15 0.416 -10.934 -1.567 1.00 21.35 H new ATOM 0 HG13 VAL A 15 1.821 -10.624 -2.614 1.00 21.35 H new ATOM 0 HG21 VAL A 15 2.125 -7.663 -1.796 1.00 33.24 H new ATOM 0 HG22 VAL A 15 2.197 -8.229 -3.482 1.00 33.24 H new ATOM 0 HG23 VAL A 15 1.034 -6.966 -3.016 1.00 33.24 H new ATOM 222 N HIS A 16 -2.275 -7.834 -3.360 1.00 64.34 N ATOM 223 CA HIS A 16 -3.115 -6.680 -3.621 1.00 21.13 C ATOM 224 C HIS A 16 -3.011 -5.712 -2.460 1.00 72.32 C ATOM 225 O HIS A 16 -2.738 -6.117 -1.332 1.00 11.31 O ATOM 226 CB HIS A 16 -4.581 -7.085 -3.813 1.00 43.40 C ATOM 227 CG HIS A 16 -4.817 -8.083 -4.903 1.00 53.34 C ATOM 228 ND1 HIS A 16 -5.460 -9.282 -4.688 1.00 11.31 N ATOM 229 CD2 HIS A 16 -4.521 -8.049 -6.223 1.00 71.35 C ATOM 230 CE1 HIS A 16 -5.547 -9.944 -5.825 1.00 61.32 C ATOM 231 NE2 HIS A 16 -4.988 -9.219 -6.776 1.00 23.43 N ATOM 0 H HIS A 16 -2.626 -8.454 -2.630 1.00 64.34 H new ATOM 0 HA HIS A 16 -2.769 -6.209 -4.541 1.00 21.13 H new ATOM 0 HB2 HIS A 16 -4.956 -7.496 -2.876 1.00 43.40 H new ATOM 0 HB3 HIS A 16 -5.166 -6.190 -4.025 1.00 43.40 H new ATOM 0 HD1 HIS A 16 -5.814 -9.607 -3.788 1.00 11.31 H new ATOM 0 HD2 HIS A 16 -4.013 -7.252 -6.745 1.00 71.35 H new ATOM 0 HE1 HIS A 16 -5.999 -10.916 -5.956 1.00 61.32 H new ATOM 240 N LEU A 17 -3.226 -4.447 -2.735 1.00 3.22 N ATOM 241 CA LEU A 17 -3.208 -3.430 -1.703 1.00 34.42 C ATOM 242 C LEU A 17 -4.589 -2.808 -1.602 1.00 33.24 C ATOM 243 O LEU A 17 -5.584 -3.453 -1.938 1.00 31.41 O ATOM 244 CB LEU A 17 -2.161 -2.361 -2.038 1.00 64.34 C ATOM 245 CG LEU A 17 -0.716 -2.864 -2.119 1.00 62.52 C ATOM 246 CD1 LEU A 17 0.215 -1.738 -2.549 1.00 22.21 C ATOM 247 CD2 LEU A 17 -0.276 -3.437 -0.781 1.00 64.34 C ATOM 0 H LEU A 17 -3.417 -4.093 -3.672 1.00 3.22 H new ATOM 0 HA LEU A 17 -2.943 -3.879 -0.746 1.00 34.42 H new ATOM 0 HB2 LEU A 17 -2.424 -1.905 -2.992 1.00 64.34 H new ATOM 0 HB3 LEU A 17 -2.213 -1.575 -1.284 1.00 64.34 H new ATOM 0 HG LEU A 17 -0.667 -3.657 -2.865 1.00 62.52 H new ATOM 0 HD11 LEU A 17 1.238 -2.112 -2.602 1.00 22.21 H new ATOM 0 HD12 LEU A 17 -0.088 -1.370 -3.529 1.00 22.21 H new ATOM 0 HD13 LEU A 17 0.162 -0.926 -1.824 1.00 22.21 H new ATOM 0 HD21 LEU A 17 0.753 -3.790 -0.857 1.00 64.34 H new ATOM 0 HD22 LEU A 17 -0.339 -2.664 -0.016 1.00 64.34 H new ATOM 0 HD23 LEU A 17 -0.926 -4.269 -0.510 1.00 64.34 H new ATOM 259 N HIS A 18 -4.648 -1.569 -1.136 1.00 54.23 N ATOM 260 CA HIS A 18 -5.881 -0.789 -1.147 1.00 12.43 C ATOM 261 C HIS A 18 -5.598 0.606 -0.627 1.00 74.21 C ATOM 262 O HIS A 18 -5.557 0.834 0.578 1.00 75.44 O ATOM 263 CB HIS A 18 -6.984 -1.453 -0.312 1.00 1.35 C ATOM 264 CG HIS A 18 -8.177 -1.870 -1.118 1.00 65.31 C ATOM 265 ND1 HIS A 18 -8.105 -2.242 -2.445 1.00 34.12 N ATOM 266 CD2 HIS A 18 -9.483 -1.971 -0.777 1.00 2.05 C ATOM 267 CE1 HIS A 18 -9.310 -2.551 -2.879 1.00 52.22 C ATOM 268 NE2 HIS A 18 -10.168 -2.399 -1.888 1.00 62.13 N ATOM 0 H HIS A 18 -3.847 -1.076 -0.741 1.00 54.23 H new ATOM 0 HA HIS A 18 -6.240 -0.735 -2.175 1.00 12.43 H new ATOM 0 HB2 HIS A 18 -6.571 -2.328 0.190 1.00 1.35 H new ATOM 0 HB3 HIS A 18 -7.306 -0.761 0.466 1.00 1.35 H new ATOM 0 HD1 HIS A 18 -7.252 -2.273 -3.003 1.00 34.12 H new ATOM 0 HD2 HIS A 18 -9.909 -1.755 0.192 1.00 2.05 H new ATOM 0 HE1 HIS A 18 -9.555 -2.875 -3.880 1.00 52.22 H new ATOM 277 N ILE A 19 -5.369 1.527 -1.545 1.00 35.15 N ATOM 278 CA ILE A 19 -5.030 2.890 -1.186 1.00 53.04 C ATOM 279 C ILE A 19 -6.295 3.667 -0.838 1.00 11.31 C ATOM 280 O ILE A 19 -7.300 3.580 -1.541 1.00 70.44 O ATOM 281 CB ILE A 19 -4.284 3.597 -2.340 1.00 30.50 C ATOM 282 CG1 ILE A 19 -3.097 2.744 -2.805 1.00 64.21 C ATOM 283 CG2 ILE A 19 -3.812 4.975 -1.900 1.00 43.14 C ATOM 284 CD1 ILE A 19 -2.370 3.308 -4.009 1.00 43.34 C ATOM 0 H ILE A 19 -5.412 1.354 -2.549 1.00 35.15 H new ATOM 0 HA ILE A 19 -4.372 2.860 -0.318 1.00 53.04 H new ATOM 0 HB ILE A 19 -4.971 3.720 -3.177 1.00 30.50 H new ATOM 0 HG12 ILE A 19 -2.391 2.642 -1.981 1.00 64.21 H new ATOM 0 HG13 ILE A 19 -3.454 1.742 -3.045 1.00 64.21 H new ATOM 0 HG21 ILE A 19 -3.288 5.460 -2.724 1.00 43.14 H new ATOM 0 HG22 ILE A 19 -4.672 5.579 -1.611 1.00 43.14 H new ATOM 0 HG23 ILE A 19 -3.137 4.874 -1.050 1.00 43.14 H new ATOM 0 HD11 ILE A 19 -1.544 2.649 -4.277 1.00 43.34 H new ATOM 0 HD12 ILE A 19 -3.061 3.384 -4.849 1.00 43.34 H new ATOM 0 HD13 ILE A 19 -1.981 4.298 -3.769 1.00 43.34 H new ATOM 296 N THR A 20 -6.251 4.389 0.270 1.00 23.35 N ATOM 297 CA THR A 20 -7.368 5.208 0.702 1.00 41.50 C ATOM 298 C THR A 20 -6.840 6.495 1.338 1.00 54.53 C ATOM 299 O THR A 20 -5.762 6.499 1.931 1.00 22.33 O ATOM 300 CB THR A 20 -8.255 4.436 1.704 1.00 41.20 C ATOM 301 OG1 THR A 20 -8.570 3.144 1.168 1.00 3.43 O ATOM 302 CG2 THR A 20 -9.544 5.189 1.991 1.00 31.22 C ATOM 0 H THR A 20 -5.443 4.423 0.892 1.00 23.35 H new ATOM 0 HA THR A 20 -7.979 5.460 -0.165 1.00 41.50 H new ATOM 0 HB THR A 20 -7.702 4.331 2.638 1.00 41.20 H new ATOM 0 HG1 THR A 20 -9.107 3.249 0.355 1.00 3.43 H new ATOM 0 HG21 THR A 20 -10.147 4.621 2.699 1.00 31.22 H new ATOM 0 HG22 THR A 20 -9.308 6.165 2.416 1.00 31.22 H new ATOM 0 HG23 THR A 20 -10.102 5.322 1.064 1.00 31.22 H new ATOM 310 N HIS A 21 -7.572 7.587 1.191 1.00 60.00 N ATOM 311 CA HIS A 21 -7.144 8.868 1.742 1.00 53.44 C ATOM 312 C HIS A 21 -8.125 9.359 2.794 1.00 3.33 C ATOM 313 O HIS A 21 -9.136 8.712 3.067 1.00 50.01 O ATOM 314 CB HIS A 21 -7.025 9.921 0.637 1.00 33.01 C ATOM 315 CG HIS A 21 -5.672 10.010 0.001 1.00 2.43 C ATOM 316 ND1 HIS A 21 -4.859 11.115 0.121 1.00 11.24 N ATOM 317 CD2 HIS A 21 -5.003 9.141 -0.792 1.00 2.41 C ATOM 318 CE1 HIS A 21 -3.754 10.928 -0.570 1.00 12.55 C ATOM 319 NE2 HIS A 21 -3.814 9.735 -1.134 1.00 2.25 N ATOM 0 H HIS A 21 -8.464 7.615 0.697 1.00 60.00 H new ATOM 0 HA HIS A 21 -6.168 8.718 2.204 1.00 53.44 H new ATOM 0 HB2 HIS A 21 -7.761 9.701 -0.136 1.00 33.01 H new ATOM 0 HB3 HIS A 21 -7.281 10.895 1.053 1.00 33.01 H new ATOM 0 HD1 HIS A 21 -5.079 11.951 0.663 1.00 11.24 H new ATOM 0 HD2 HIS A 21 -5.342 8.162 -1.099 1.00 2.41 H new ATOM 0 HE1 HIS A 21 -2.938 11.630 -0.660 1.00 12.55 H new ATOM 328 N ALA A 22 -7.808 10.494 3.391 1.00 22.31 N ATOM 329 CA ALA A 22 -8.731 11.179 4.273 1.00 61.45 C ATOM 330 C ALA A 22 -9.535 12.182 3.459 1.00 51.41 C ATOM 331 O ALA A 22 -10.703 12.452 3.742 1.00 24.14 O ATOM 332 CB ALA A 22 -7.980 11.871 5.397 1.00 42.22 C ATOM 0 H ALA A 22 -6.909 10.963 3.278 1.00 22.31 H new ATOM 0 HA ALA A 22 -9.409 10.457 4.727 1.00 61.45 H new ATOM 0 HB1 ALA A 22 -8.690 12.380 6.049 1.00 42.22 H new ATOM 0 HB2 ALA A 22 -7.424 11.131 5.973 1.00 42.22 H new ATOM 0 HB3 ALA A 22 -7.286 12.599 4.977 1.00 42.22 H new ATOM 338 N ASN A 23 -8.878 12.731 2.441 1.00 43.42 N ATOM 339 CA ASN A 23 -9.536 13.572 1.452 1.00 4.22 C ATOM 340 C ASN A 23 -10.524 12.738 0.647 1.00 24.23 C ATOM 341 O ASN A 23 -11.723 13.015 0.618 1.00 45.42 O ATOM 342 CB ASN A 23 -8.494 14.200 0.516 1.00 54.21 C ATOM 343 CG ASN A 23 -9.122 15.054 -0.574 1.00 72.21 C ATOM 344 OD1 ASN A 23 -9.374 14.578 -1.680 1.00 53.25 O ATOM 345 ND2 ASN A 23 -9.385 16.316 -0.269 1.00 73.04 N ATOM 0 H ASN A 23 -7.879 12.605 2.281 1.00 43.42 H new ATOM 0 HA ASN A 23 -10.074 14.370 1.963 1.00 4.22 H new ATOM 0 HB2 ASN A 23 -7.808 14.812 1.101 1.00 54.21 H new ATOM 0 HB3 ASN A 23 -7.902 13.409 0.056 1.00 54.21 H new ATOM 0 HD21 ASN A 23 -9.811 16.930 -0.963 1.00 73.04 H new ATOM 0 HD22 ASN A 23 -9.161 16.674 0.660 1.00 73.04 H new ATOM 352 N LEU A 24 -10.007 11.700 0.008 1.00 15.41 N ATOM 353 CA LEU A 24 -10.837 10.784 -0.754 1.00 0.50 C ATOM 354 C LEU A 24 -11.381 9.689 0.153 1.00 62.32 C ATOM 355 O LEU A 24 -10.693 8.712 0.440 1.00 62.23 O ATOM 356 CB LEU A 24 -10.041 10.164 -1.904 1.00 50.25 C ATOM 357 CG LEU A 24 -9.623 11.138 -3.004 1.00 63.42 C ATOM 358 CD1 LEU A 24 -8.745 10.441 -4.032 1.00 70.44 C ATOM 359 CD2 LEU A 24 -10.849 11.737 -3.673 1.00 24.12 C ATOM 0 H LEU A 24 -9.013 11.472 0.003 1.00 15.41 H new ATOM 0 HA LEU A 24 -11.672 11.345 -1.173 1.00 0.50 H new ATOM 0 HB2 LEU A 24 -9.145 9.697 -1.495 1.00 50.25 H new ATOM 0 HB3 LEU A 24 -10.638 9.370 -2.352 1.00 50.25 H new ATOM 0 HG LEU A 24 -9.046 11.943 -2.550 1.00 63.42 H new ATOM 0 HD11 LEU A 24 -8.458 11.152 -4.807 1.00 70.44 H new ATOM 0 HD12 LEU A 24 -7.850 10.055 -3.544 1.00 70.44 H new ATOM 0 HD13 LEU A 24 -9.297 9.616 -4.483 1.00 70.44 H new ATOM 0 HD21 LEU A 24 -10.535 12.429 -4.455 1.00 24.12 H new ATOM 0 HD22 LEU A 24 -11.449 10.940 -4.113 1.00 24.12 H new ATOM 0 HD23 LEU A 24 -11.443 12.272 -2.932 1.00 24.12 H new ATOM 371 N LYS A 25 -12.610 9.879 0.617 1.00 53.45 N ATOM 372 CA LYS A 25 -13.259 8.920 1.506 1.00 2.12 C ATOM 373 C LYS A 25 -13.590 7.639 0.748 1.00 72.15 C ATOM 374 O LYS A 25 -13.143 6.551 1.114 1.00 11.55 O ATOM 375 CB LYS A 25 -14.541 9.526 2.082 1.00 30.44 C ATOM 376 CG LYS A 25 -15.040 8.829 3.335 1.00 32.12 C ATOM 377 CD LYS A 25 -14.147 9.143 4.523 1.00 72.14 C ATOM 378 CE LYS A 25 -14.658 8.491 5.792 1.00 33.32 C ATOM 379 NZ LYS A 25 -13.947 8.997 6.995 1.00 2.24 N ATOM 0 H LYS A 25 -13.181 10.693 0.391 1.00 53.45 H new ATOM 0 HA LYS A 25 -12.577 8.682 2.322 1.00 2.12 H new ATOM 0 HB2 LYS A 25 -14.365 10.578 2.308 1.00 30.44 H new ATOM 0 HB3 LYS A 25 -15.322 9.490 1.322 1.00 30.44 H new ATOM 0 HG2 LYS A 25 -16.061 9.145 3.549 1.00 32.12 H new ATOM 0 HG3 LYS A 25 -15.067 7.752 3.170 1.00 32.12 H new ATOM 0 HD2 LYS A 25 -13.134 8.798 4.318 1.00 72.14 H new ATOM 0 HD3 LYS A 25 -14.094 10.223 4.664 1.00 72.14 H new ATOM 0 HE2 LYS A 25 -15.726 8.681 5.894 1.00 33.32 H new ATOM 0 HE3 LYS A 25 -14.532 7.411 5.722 1.00 33.32 H new ATOM 0 HZ1 LYS A 25 -14.324 8.528 7.844 1.00 2.24 H new ATOM 0 HZ2 LYS A 25 -12.931 8.793 6.909 1.00 2.24 H new ATOM 0 HZ3 LYS A 25 -14.088 10.024 7.075 1.00 2.24 H new ATOM 393 N SER A 26 -14.380 7.780 -0.304 1.00 73.01 N ATOM 394 CA SER A 26 -14.702 6.661 -1.172 1.00 75.14 C ATOM 395 C SER A 26 -13.578 6.445 -2.176 1.00 54.31 C ATOM 396 O SER A 26 -13.611 6.976 -3.287 1.00 32.04 O ATOM 397 CB SER A 26 -16.020 6.913 -1.905 1.00 20.11 C ATOM 398 OG SER A 26 -17.078 7.164 -0.992 1.00 11.21 O ATOM 0 H SER A 26 -14.811 8.663 -0.578 1.00 73.01 H new ATOM 0 HA SER A 26 -14.813 5.765 -0.561 1.00 75.14 H new ATOM 0 HB2 SER A 26 -15.908 7.763 -2.578 1.00 20.11 H new ATOM 0 HB3 SER A 26 -16.266 6.049 -2.522 1.00 20.11 H new ATOM 0 HG SER A 26 -17.908 7.323 -1.489 1.00 11.21 H new ATOM 404 N PHE A 27 -12.569 5.696 -1.768 1.00 62.03 N ATOM 405 CA PHE A 27 -11.422 5.448 -2.616 1.00 51.01 C ATOM 406 C PHE A 27 -10.907 4.034 -2.402 1.00 73.42 C ATOM 407 O PHE A 27 -10.311 3.723 -1.369 1.00 51.45 O ATOM 408 CB PHE A 27 -10.322 6.477 -2.329 1.00 21.01 C ATOM 409 CG PHE A 27 -9.177 6.436 -3.301 1.00 71.23 C ATOM 410 CD1 PHE A 27 -9.402 6.546 -4.665 1.00 74.22 C ATOM 411 CD2 PHE A 27 -7.874 6.295 -2.852 1.00 10.41 C ATOM 412 CE1 PHE A 27 -8.348 6.518 -5.561 1.00 73.41 C ATOM 413 CE2 PHE A 27 -6.817 6.264 -3.742 1.00 64.15 C ATOM 414 CZ PHE A 27 -7.055 6.374 -5.098 1.00 70.11 C ATOM 0 H PHE A 27 -12.523 5.249 -0.852 1.00 62.03 H new ATOM 0 HA PHE A 27 -11.723 5.548 -3.659 1.00 51.01 H new ATOM 0 HB2 PHE A 27 -10.760 7.475 -2.342 1.00 21.01 H new ATOM 0 HB3 PHE A 27 -9.937 6.311 -1.323 1.00 21.01 H new ATOM 0 HD1 PHE A 27 -10.412 6.655 -5.032 1.00 74.22 H new ATOM 0 HD2 PHE A 27 -7.682 6.208 -1.793 1.00 10.41 H new ATOM 0 HE1 PHE A 27 -8.536 6.609 -6.621 1.00 73.41 H new ATOM 0 HE2 PHE A 27 -5.806 6.154 -3.378 1.00 64.15 H new ATOM 0 HZ PHE A 27 -6.231 6.347 -5.795 1.00 70.11 H new ATOM 424 N SER A 28 -11.169 3.171 -3.371 1.00 43.10 N ATOM 425 CA SER A 28 -10.713 1.797 -3.312 1.00 24.32 C ATOM 426 C SER A 28 -9.960 1.438 -4.588 1.00 20.43 C ATOM 427 O SER A 28 -10.506 0.812 -5.496 1.00 42.51 O ATOM 428 CB SER A 28 -11.891 0.845 -3.093 1.00 54.25 C ATOM 429 OG SER A 28 -12.551 1.123 -1.864 1.00 31.44 O ATOM 0 H SER A 28 -11.699 3.403 -4.211 1.00 43.10 H new ATOM 0 HA SER A 28 -10.033 1.693 -2.466 1.00 24.32 H new ATOM 0 HB2 SER A 28 -12.597 0.939 -3.918 1.00 54.25 H new ATOM 0 HB3 SER A 28 -11.535 -0.185 -3.094 1.00 54.25 H new ATOM 0 HG SER A 28 -13.301 0.503 -1.748 1.00 31.44 H new ATOM 435 N ALA A 29 -8.715 1.878 -4.660 1.00 2.13 N ATOM 436 CA ALA A 29 -7.865 1.600 -5.805 1.00 21.42 C ATOM 437 C ALA A 29 -6.468 1.243 -5.330 1.00 0.31 C ATOM 438 O ALA A 29 -6.021 1.729 -4.290 1.00 13.01 O ATOM 439 CB ALA A 29 -7.823 2.800 -6.741 1.00 3.22 C ATOM 0 H ALA A 29 -8.267 2.434 -3.932 1.00 2.13 H new ATOM 0 HA ALA A 29 -8.277 0.755 -6.357 1.00 21.42 H new ATOM 0 HB1 ALA A 29 -7.182 2.574 -7.593 1.00 3.22 H new ATOM 0 HB2 ALA A 29 -8.830 3.022 -7.093 1.00 3.22 H new ATOM 0 HB3 ALA A 29 -7.427 3.664 -6.207 1.00 3.22 H new ATOM 445 N ASP A 30 -5.796 0.380 -6.070 1.00 31.13 N ATOM 446 CA ASP A 30 -4.448 -0.034 -5.717 1.00 1.43 C ATOM 447 C ASP A 30 -3.785 -0.743 -6.881 1.00 12.41 C ATOM 448 O ASP A 30 -4.402 -0.965 -7.927 1.00 71.02 O ATOM 449 CB ASP A 30 -4.454 -0.950 -4.488 1.00 63.31 C ATOM 450 CG ASP A 30 -5.163 -2.268 -4.727 1.00 24.24 C ATOM 451 OD1 ASP A 30 -6.399 -2.324 -4.536 1.00 74.31 O ATOM 452 OD2 ASP A 30 -4.486 -3.263 -5.069 1.00 53.34 O ATOM 0 H ASP A 30 -6.161 -0.049 -6.920 1.00 31.13 H new ATOM 0 HA ASP A 30 -3.880 0.864 -5.476 1.00 1.43 H new ATOM 0 HB2 ASP A 30 -3.426 -1.148 -4.186 1.00 63.31 H new ATOM 0 HB3 ASP A 30 -4.936 -0.431 -3.659 1.00 63.31 H new ATOM 457 N ALA A 31 -2.532 -1.098 -6.690 1.00 75.45 N ATOM 458 CA ALA A 31 -1.757 -1.752 -7.723 1.00 40.31 C ATOM 459 C ALA A 31 -1.148 -3.038 -7.193 1.00 54.43 C ATOM 460 O ALA A 31 -0.518 -3.045 -6.137 1.00 63.41 O ATOM 461 CB ALA A 31 -0.673 -0.816 -8.234 1.00 14.23 C ATOM 0 H ALA A 31 -2.024 -0.942 -5.819 1.00 75.45 H new ATOM 0 HA ALA A 31 -2.418 -2.004 -8.553 1.00 40.31 H new ATOM 0 HB1 ALA A 31 -0.096 -1.318 -9.011 1.00 14.23 H new ATOM 0 HB2 ALA A 31 -1.133 0.082 -8.646 1.00 14.23 H new ATOM 0 HB3 ALA A 31 -0.013 -0.541 -7.412 1.00 14.23 H new ATOM 467 N ARG A 32 -1.367 -4.120 -7.920 1.00 30.40 N ATOM 468 CA ARG A 32 -0.799 -5.412 -7.564 1.00 51.03 C ATOM 469 C ARG A 32 0.716 -5.406 -7.746 1.00 22.13 C ATOM 470 O ARG A 32 1.221 -5.124 -8.835 1.00 40.03 O ATOM 471 CB ARG A 32 -1.438 -6.528 -8.403 1.00 1.31 C ATOM 472 CG ARG A 32 -1.623 -6.163 -9.869 1.00 33.23 C ATOM 473 CD ARG A 32 -2.245 -7.304 -10.651 1.00 52.33 C ATOM 474 NE ARG A 32 -2.799 -6.854 -11.927 1.00 15.15 N ATOM 475 CZ ARG A 32 -2.705 -7.537 -13.068 1.00 55.33 C ATOM 476 NH1 ARG A 32 -1.971 -8.642 -13.131 1.00 14.24 N ATOM 477 NH2 ARG A 32 -3.317 -7.090 -14.156 1.00 5.05 N ATOM 0 H ARG A 32 -1.937 -4.131 -8.766 1.00 30.40 H new ATOM 0 HA ARG A 32 -1.014 -5.602 -6.513 1.00 51.03 H new ATOM 0 HB2 ARG A 32 -0.817 -7.421 -8.336 1.00 1.31 H new ATOM 0 HB3 ARG A 32 -2.408 -6.781 -7.976 1.00 1.31 H new ATOM 0 HG2 ARG A 32 -2.256 -5.279 -9.948 1.00 33.23 H new ATOM 0 HG3 ARG A 32 -0.658 -5.905 -10.305 1.00 33.23 H new ATOM 0 HD2 ARG A 32 -1.493 -8.072 -10.833 1.00 52.33 H new ATOM 0 HD3 ARG A 32 -3.033 -7.765 -10.056 1.00 52.33 H new ATOM 0 HE ARG A 32 -3.289 -5.960 -11.945 1.00 15.15 H new ATOM 0 HH11 ARG A 32 -1.475 -8.973 -12.303 1.00 14.24 H new ATOM 0 HH12 ARG A 32 -1.903 -9.160 -14.007 1.00 14.24 H new ATOM 0 HH21 ARG A 32 -3.858 -6.226 -14.118 1.00 5.05 H new ATOM 0 HH22 ARG A 32 -3.247 -7.610 -15.031 1.00 5.05 H new ATOM 491 N PHE A 33 1.429 -5.706 -6.669 1.00 50.41 N ATOM 492 CA PHE A 33 2.883 -5.729 -6.690 1.00 23.33 C ATOM 493 C PHE A 33 3.408 -7.044 -6.132 1.00 22.22 C ATOM 494 O PHE A 33 2.640 -7.964 -5.837 1.00 30.14 O ATOM 495 CB PHE A 33 3.462 -4.568 -5.875 1.00 73.21 C ATOM 496 CG PHE A 33 3.297 -3.223 -6.518 1.00 12.15 C ATOM 497 CD1 PHE A 33 3.870 -2.956 -7.750 1.00 42.12 C ATOM 498 CD2 PHE A 33 2.583 -2.221 -5.883 1.00 60.13 C ATOM 499 CE1 PHE A 33 3.731 -1.714 -8.338 1.00 73.02 C ATOM 500 CE2 PHE A 33 2.440 -0.978 -6.466 1.00 63.24 C ATOM 501 CZ PHE A 33 3.016 -0.723 -7.696 1.00 15.44 C ATOM 0 H PHE A 33 1.019 -5.938 -5.764 1.00 50.41 H new ATOM 0 HA PHE A 33 3.198 -5.626 -7.728 1.00 23.33 H new ATOM 0 HB2 PHE A 33 2.983 -4.552 -4.896 1.00 73.21 H new ATOM 0 HB3 PHE A 33 4.523 -4.750 -5.707 1.00 73.21 H new ATOM 0 HD1 PHE A 33 4.432 -3.727 -8.256 1.00 42.12 H new ATOM 0 HD2 PHE A 33 2.133 -2.414 -4.921 1.00 60.13 H new ATOM 0 HE1 PHE A 33 4.182 -1.518 -9.300 1.00 73.02 H new ATOM 0 HE2 PHE A 33 1.879 -0.206 -5.961 1.00 63.24 H new ATOM 0 HZ PHE A 33 2.907 0.249 -8.154 1.00 15.44 H new ATOM 511 N SER A 34 4.718 -7.115 -5.984 1.00 22.11 N ATOM 512 CA SER A 34 5.371 -8.280 -5.428 1.00 50.41 C ATOM 513 C SER A 34 5.498 -8.139 -3.914 1.00 34.14 C ATOM 514 O SER A 34 5.624 -7.025 -3.398 1.00 72.42 O ATOM 515 CB SER A 34 6.752 -8.432 -6.070 1.00 33.20 C ATOM 516 OG SER A 34 7.429 -7.186 -6.101 1.00 72.21 O ATOM 0 H SER A 34 5.357 -6.365 -6.247 1.00 22.11 H new ATOM 0 HA SER A 34 4.776 -9.169 -5.638 1.00 50.41 H new ATOM 0 HB2 SER A 34 7.341 -9.158 -5.510 1.00 33.20 H new ATOM 0 HB3 SER A 34 6.647 -8.820 -7.083 1.00 33.20 H new ATOM 0 HG SER A 34 8.310 -7.303 -6.513 1.00 72.21 H new ATOM 522 N PRO A 35 5.472 -9.262 -3.176 1.00 10.21 N ATOM 523 CA PRO A 35 5.605 -9.249 -1.715 1.00 33.11 C ATOM 524 C PRO A 35 7.028 -8.908 -1.272 1.00 13.13 C ATOM 525 O PRO A 35 7.347 -8.924 -0.083 1.00 51.42 O ATOM 526 CB PRO A 35 5.239 -10.679 -1.312 1.00 24.12 C ATOM 527 CG PRO A 35 5.558 -11.507 -2.511 1.00 44.44 C ATOM 528 CD PRO A 35 5.297 -10.633 -3.705 1.00 4.33 C ATOM 0 HA PRO A 35 4.974 -8.492 -1.250 1.00 33.11 H new ATOM 0 HB2 PRO A 35 5.812 -11.004 -0.443 1.00 24.12 H new ATOM 0 HB3 PRO A 35 4.185 -10.757 -1.046 1.00 24.12 H new ATOM 0 HG2 PRO A 35 6.596 -11.838 -2.490 1.00 44.44 H new ATOM 0 HG3 PRO A 35 4.938 -12.403 -2.541 1.00 44.44 H new ATOM 0 HD2 PRO A 35 5.995 -10.842 -4.516 1.00 4.33 H new ATOM 0 HD3 PRO A 35 4.293 -10.785 -4.102 1.00 4.33 H new ATOM 536 N GLN A 36 7.876 -8.585 -2.237 1.00 2.12 N ATOM 537 CA GLN A 36 9.268 -8.267 -1.962 1.00 31.42 C ATOM 538 C GLN A 36 9.497 -6.762 -1.991 1.00 44.25 C ATOM 539 O GLN A 36 10.630 -6.291 -1.900 1.00 4.23 O ATOM 540 CB GLN A 36 10.178 -8.963 -2.974 1.00 13.50 C ATOM 541 CG GLN A 36 10.051 -10.477 -2.953 1.00 63.32 C ATOM 542 CD GLN A 36 10.971 -11.151 -3.949 1.00 52.41 C ATOM 543 OE1 GLN A 36 12.114 -11.482 -3.631 1.00 62.15 O ATOM 544 NE2 GLN A 36 10.480 -11.357 -5.160 1.00 14.42 N ATOM 0 H GLN A 36 7.622 -8.536 -3.224 1.00 2.12 H new ATOM 0 HA GLN A 36 9.511 -8.628 -0.963 1.00 31.42 H new ATOM 0 HB2 GLN A 36 9.943 -8.599 -3.974 1.00 13.50 H new ATOM 0 HB3 GLN A 36 11.213 -8.689 -2.770 1.00 13.50 H new ATOM 0 HG2 GLN A 36 10.275 -10.843 -1.951 1.00 63.32 H new ATOM 0 HG3 GLN A 36 9.020 -10.755 -3.171 1.00 63.32 H new ATOM 0 HE21 GLN A 36 9.527 -11.067 -5.380 1.00 14.42 H new ATOM 0 HE22 GLN A 36 11.054 -11.806 -5.873 1.00 14.42 H new ATOM 553 N MET A 37 8.411 -6.012 -2.116 1.00 31.44 N ATOM 554 CA MET A 37 8.480 -4.558 -2.089 1.00 73.02 C ATOM 555 C MET A 37 8.664 -4.073 -0.657 1.00 34.53 C ATOM 556 O MET A 37 7.745 -4.150 0.156 1.00 53.23 O ATOM 557 CB MET A 37 7.212 -3.952 -2.696 1.00 74.13 C ATOM 558 CG MET A 37 7.211 -2.431 -2.727 1.00 71.55 C ATOM 559 SD MET A 37 5.706 -1.751 -3.451 1.00 14.42 S ATOM 560 CE MET A 37 4.461 -2.395 -2.337 1.00 65.20 C ATOM 0 H MET A 37 7.470 -6.387 -2.237 1.00 31.44 H new ATOM 0 HA MET A 37 9.335 -4.236 -2.684 1.00 73.02 H new ATOM 0 HB2 MET A 37 7.092 -4.327 -3.713 1.00 74.13 H new ATOM 0 HB3 MET A 37 6.348 -4.295 -2.126 1.00 74.13 H new ATOM 0 HG2 MET A 37 7.325 -2.051 -1.712 1.00 71.55 H new ATOM 0 HG3 MET A 37 8.073 -2.083 -3.296 1.00 71.55 H new ATOM 0 HE1 MET A 37 3.558 -1.789 -2.411 1.00 65.20 H new ATOM 0 HE2 MET A 37 4.229 -3.425 -2.607 1.00 65.20 H new ATOM 0 HE3 MET A 37 4.837 -2.364 -1.314 1.00 65.20 H new ATOM 570 N SER A 38 9.859 -3.595 -0.350 1.00 65.35 N ATOM 571 CA SER A 38 10.174 -3.131 0.987 1.00 54.10 C ATOM 572 C SER A 38 9.734 -1.681 1.178 1.00 12.34 C ATOM 573 O SER A 38 9.815 -0.867 0.255 1.00 42.15 O ATOM 574 CB SER A 38 11.677 -3.282 1.250 1.00 12.31 C ATOM 575 OG SER A 38 12.441 -2.791 0.159 1.00 34.14 O ATOM 0 H SER A 38 10.629 -3.519 -1.014 1.00 65.35 H new ATOM 0 HA SER A 38 9.628 -3.741 1.706 1.00 54.10 H new ATOM 0 HB2 SER A 38 11.946 -2.742 2.158 1.00 12.31 H new ATOM 0 HB3 SER A 38 11.915 -4.332 1.421 1.00 12.31 H new ATOM 0 HG SER A 38 13.396 -2.898 0.354 1.00 34.14 H new ATOM 581 N VAL A 39 9.263 -1.366 2.379 1.00 20.43 N ATOM 582 CA VAL A 39 8.791 -0.019 2.699 1.00 45.32 C ATOM 583 C VAL A 39 9.926 0.998 2.584 1.00 10.11 C ATOM 584 O VAL A 39 9.704 2.167 2.278 1.00 64.02 O ATOM 585 CB VAL A 39 8.186 0.042 4.122 1.00 20.13 C ATOM 586 CG1 VAL A 39 7.600 1.419 4.414 1.00 63.52 C ATOM 587 CG2 VAL A 39 7.126 -1.038 4.298 1.00 63.45 C ATOM 0 H VAL A 39 9.197 -2.027 3.153 1.00 20.43 H new ATOM 0 HA VAL A 39 8.013 0.230 1.977 1.00 45.32 H new ATOM 0 HB VAL A 39 8.989 -0.138 4.836 1.00 20.13 H new ATOM 0 HG11 VAL A 39 7.183 1.431 5.421 1.00 63.52 H new ATOM 0 HG12 VAL A 39 8.384 2.172 4.338 1.00 63.52 H new ATOM 0 HG13 VAL A 39 6.813 1.640 3.693 1.00 63.52 H new ATOM 0 HG21 VAL A 39 6.711 -0.980 5.304 1.00 63.45 H new ATOM 0 HG22 VAL A 39 6.330 -0.889 3.568 1.00 63.45 H new ATOM 0 HG23 VAL A 39 7.577 -2.019 4.147 1.00 63.45 H new ATOM 597 N GLU A 40 11.148 0.540 2.811 1.00 23.22 N ATOM 598 CA GLU A 40 12.315 1.402 2.726 1.00 24.11 C ATOM 599 C GLU A 40 12.545 1.828 1.273 1.00 1.32 C ATOM 600 O GLU A 40 12.836 2.992 0.991 1.00 22.10 O ATOM 601 CB GLU A 40 13.533 0.654 3.287 1.00 51.23 C ATOM 602 CG GLU A 40 14.702 1.540 3.694 1.00 45.44 C ATOM 603 CD GLU A 40 15.545 2.002 2.528 1.00 54.10 C ATOM 604 OE1 GLU A 40 15.796 1.188 1.616 1.00 60.42 O ATOM 605 OE2 GLU A 40 15.963 3.181 2.523 1.00 45.12 O ATOM 0 H GLU A 40 11.357 -0.428 3.056 1.00 23.22 H new ATOM 0 HA GLU A 40 12.157 2.304 3.317 1.00 24.11 H new ATOM 0 HB2 GLU A 40 13.217 0.075 4.155 1.00 51.23 H new ATOM 0 HB3 GLU A 40 13.880 -0.058 2.538 1.00 51.23 H new ATOM 0 HG2 GLU A 40 14.319 2.413 4.223 1.00 45.44 H new ATOM 0 HG3 GLU A 40 15.334 0.994 4.395 1.00 45.44 H new ATOM 612 N ALA A 41 12.358 0.888 0.355 1.00 13.12 N ATOM 613 CA ALA A 41 12.611 1.129 -1.059 1.00 24.12 C ATOM 614 C ALA A 41 11.567 2.060 -1.668 1.00 41.35 C ATOM 615 O ALA A 41 11.896 2.924 -2.484 1.00 74.42 O ATOM 616 CB ALA A 41 12.642 -0.187 -1.820 1.00 23.02 C ATOM 0 H ALA A 41 12.030 -0.054 0.567 1.00 13.12 H new ATOM 0 HA ALA A 41 13.582 1.617 -1.141 1.00 24.12 H new ATOM 0 HB1 ALA A 41 12.832 0.007 -2.876 1.00 23.02 H new ATOM 0 HB2 ALA A 41 13.434 -0.820 -1.420 1.00 23.02 H new ATOM 0 HB3 ALA A 41 11.683 -0.693 -1.711 1.00 23.02 H new ATOM 622 N VAL A 42 10.309 1.888 -1.272 1.00 51.22 N ATOM 623 CA VAL A 42 9.227 2.687 -1.836 1.00 25.41 C ATOM 624 C VAL A 42 9.353 4.155 -1.422 1.00 20.03 C ATOM 625 O VAL A 42 8.949 5.052 -2.160 1.00 21.00 O ATOM 626 CB VAL A 42 7.831 2.134 -1.452 1.00 50.02 C ATOM 627 CG1 VAL A 42 7.553 2.290 0.035 1.00 31.42 C ATOM 628 CG2 VAL A 42 6.737 2.802 -2.275 1.00 55.34 C ATOM 0 H VAL A 42 10.016 1.209 -0.569 1.00 51.22 H new ATOM 0 HA VAL A 42 9.319 2.622 -2.920 1.00 25.41 H new ATOM 0 HB VAL A 42 7.831 1.068 -1.677 1.00 50.02 H new ATOM 0 HG11 VAL A 42 6.565 1.891 0.264 1.00 31.42 H new ATOM 0 HG12 VAL A 42 8.306 1.745 0.605 1.00 31.42 H new ATOM 0 HG13 VAL A 42 7.589 3.346 0.303 1.00 31.42 H new ATOM 0 HG21 VAL A 42 5.767 2.397 -1.987 1.00 55.34 H new ATOM 0 HG22 VAL A 42 6.750 3.877 -2.094 1.00 55.34 H new ATOM 0 HG23 VAL A 42 6.910 2.611 -3.334 1.00 55.34 H new ATOM 638 N LYS A 43 9.949 4.397 -0.256 1.00 40.41 N ATOM 639 CA LYS A 43 10.180 5.760 0.209 1.00 51.44 C ATOM 640 C LYS A 43 11.083 6.511 -0.762 1.00 75.14 C ATOM 641 O LYS A 43 10.796 7.645 -1.140 1.00 24.13 O ATOM 642 CB LYS A 43 10.810 5.764 1.601 1.00 5.25 C ATOM 643 CG LYS A 43 9.884 5.282 2.705 1.00 72.22 C ATOM 644 CD LYS A 43 10.599 5.268 4.047 1.00 53.21 C ATOM 645 CE LYS A 43 9.686 4.828 5.181 1.00 73.50 C ATOM 646 NZ LYS A 43 10.409 4.783 6.480 1.00 12.44 N ATOM 0 H LYS A 43 10.278 3.671 0.380 1.00 40.41 H new ATOM 0 HA LYS A 43 9.213 6.261 0.260 1.00 51.44 H new ATOM 0 HB2 LYS A 43 11.699 5.134 1.587 1.00 5.25 H new ATOM 0 HB3 LYS A 43 11.140 6.776 1.835 1.00 5.25 H new ATOM 0 HG2 LYS A 43 9.010 5.931 2.761 1.00 72.22 H new ATOM 0 HG3 LYS A 43 9.523 4.281 2.471 1.00 72.22 H new ATOM 0 HD2 LYS A 43 11.457 4.597 3.993 1.00 53.21 H new ATOM 0 HD3 LYS A 43 10.986 6.264 4.261 1.00 53.21 H new ATOM 0 HE2 LYS A 43 8.843 5.514 5.257 1.00 73.50 H new ATOM 0 HE3 LYS A 43 9.276 3.843 4.958 1.00 73.50 H new ATOM 0 HZ1 LYS A 43 9.756 4.479 7.230 1.00 12.44 H new ATOM 0 HZ2 LYS A 43 11.199 4.109 6.415 1.00 12.44 H new ATOM 0 HZ3 LYS A 43 10.778 5.729 6.705 1.00 12.44 H new ATOM 660 N GLU A 44 12.164 5.861 -1.180 1.00 3.40 N ATOM 661 CA GLU A 44 13.115 6.479 -2.094 1.00 53.14 C ATOM 662 C GLU A 44 12.503 6.655 -3.476 1.00 31.02 C ATOM 663 O GLU A 44 12.841 7.592 -4.194 1.00 10.50 O ATOM 664 CB GLU A 44 14.392 5.647 -2.203 1.00 42.13 C ATOM 665 CG GLU A 44 15.164 5.529 -0.901 1.00 2.44 C ATOM 666 CD GLU A 44 16.496 4.833 -1.083 1.00 21.45 C ATOM 667 OE1 GLU A 44 16.504 3.634 -1.419 1.00 24.43 O ATOM 668 OE2 GLU A 44 17.545 5.486 -0.902 1.00 1.51 O ATOM 0 H GLU A 44 12.402 4.909 -0.901 1.00 3.40 H new ATOM 0 HA GLU A 44 13.367 7.459 -1.689 1.00 53.14 H new ATOM 0 HB2 GLU A 44 14.134 4.647 -2.552 1.00 42.13 H new ATOM 0 HB3 GLU A 44 15.040 6.091 -2.959 1.00 42.13 H new ATOM 0 HG2 GLU A 44 15.330 6.524 -0.488 1.00 2.44 H new ATOM 0 HG3 GLU A 44 14.565 4.979 -0.175 1.00 2.44 H new ATOM 675 N LYS A 45 11.592 5.763 -3.843 1.00 51.50 N ATOM 676 CA LYS A 45 10.962 5.826 -5.155 1.00 0.30 C ATOM 677 C LYS A 45 9.972 6.988 -5.217 1.00 13.11 C ATOM 678 O LYS A 45 9.763 7.584 -6.274 1.00 74.23 O ATOM 679 CB LYS A 45 10.260 4.509 -5.489 1.00 15.22 C ATOM 680 CG LYS A 45 10.096 4.286 -6.983 1.00 32.34 C ATOM 681 CD LYS A 45 9.447 2.950 -7.292 1.00 34.31 C ATOM 682 CE LYS A 45 9.544 2.629 -8.774 1.00 74.54 C ATOM 683 NZ LYS A 45 8.826 1.377 -9.127 1.00 71.03 N ATOM 0 H LYS A 45 11.275 4.992 -3.255 1.00 51.50 H new ATOM 0 HA LYS A 45 11.743 5.992 -5.897 1.00 0.30 H new ATOM 0 HB2 LYS A 45 10.829 3.682 -5.064 1.00 15.22 H new ATOM 0 HB3 LYS A 45 9.278 4.497 -5.015 1.00 15.22 H new ATOM 0 HG2 LYS A 45 9.491 5.089 -7.405 1.00 32.34 H new ATOM 0 HG3 LYS A 45 11.072 4.335 -7.466 1.00 32.34 H new ATOM 0 HD2 LYS A 45 9.931 2.164 -6.713 1.00 34.31 H new ATOM 0 HD3 LYS A 45 8.400 2.971 -6.988 1.00 34.31 H new ATOM 0 HE2 LYS A 45 9.132 3.457 -9.351 1.00 74.54 H new ATOM 0 HE3 LYS A 45 10.593 2.536 -9.056 1.00 74.54 H new ATOM 0 HZ1 LYS A 45 8.920 1.199 -10.147 1.00 71.03 H new ATOM 0 HZ2 LYS A 45 9.235 0.581 -8.597 1.00 71.03 H new ATOM 0 HZ3 LYS A 45 7.820 1.474 -8.884 1.00 71.03 H new ATOM 697 N LEU A 46 9.366 7.304 -4.080 1.00 4.32 N ATOM 698 CA LEU A 46 8.500 8.472 -3.979 1.00 11.40 C ATOM 699 C LEU A 46 9.349 9.732 -3.927 1.00 43.12 C ATOM 700 O LEU A 46 9.019 10.748 -4.539 1.00 21.12 O ATOM 701 CB LEU A 46 7.617 8.387 -2.734 1.00 40.21 C ATOM 702 CG LEU A 46 6.604 7.242 -2.729 1.00 51.14 C ATOM 703 CD1 LEU A 46 5.855 7.201 -1.405 1.00 53.20 C ATOM 704 CD2 LEU A 46 5.633 7.388 -3.889 1.00 0.44 C ATOM 0 H LEU A 46 9.458 6.769 -3.216 1.00 4.32 H new ATOM 0 HA LEU A 46 7.853 8.504 -4.856 1.00 11.40 H new ATOM 0 HB2 LEU A 46 8.259 8.286 -1.859 1.00 40.21 H new ATOM 0 HB3 LEU A 46 7.078 9.328 -2.626 1.00 40.21 H new ATOM 0 HG LEU A 46 7.142 6.302 -2.848 1.00 51.14 H new ATOM 0 HD11 LEU A 46 5.138 6.380 -1.418 1.00 53.20 H new ATOM 0 HD12 LEU A 46 6.564 7.051 -0.591 1.00 53.20 H new ATOM 0 HD13 LEU A 46 5.326 8.143 -1.257 1.00 53.20 H new ATOM 0 HD21 LEU A 46 4.918 6.565 -3.871 1.00 0.44 H new ATOM 0 HD22 LEU A 46 5.099 8.334 -3.800 1.00 0.44 H new ATOM 0 HD23 LEU A 46 6.184 7.370 -4.829 1.00 0.44 H new ATOM 716 N TRP A 47 10.455 9.646 -3.198 1.00 34.12 N ATOM 717 CA TRP A 47 11.416 10.734 -3.095 1.00 65.23 C ATOM 718 C TRP A 47 11.961 11.107 -4.478 1.00 73.54 C ATOM 719 O TRP A 47 12.182 12.281 -4.776 1.00 71.13 O ATOM 720 CB TRP A 47 12.547 10.311 -2.151 1.00 50.12 C ATOM 721 CG TRP A 47 13.676 11.287 -2.043 1.00 34.42 C ATOM 722 CD1 TRP A 47 13.606 12.596 -1.663 1.00 74.21 C ATOM 723 CD2 TRP A 47 15.056 11.010 -2.299 1.00 12.43 C ATOM 724 NE1 TRP A 47 14.863 13.154 -1.675 1.00 34.11 N ATOM 725 CE2 TRP A 47 15.769 12.198 -2.064 1.00 50.33 C ATOM 726 CE3 TRP A 47 15.758 9.870 -2.711 1.00 13.31 C ATOM 727 CZ2 TRP A 47 17.146 12.279 -2.223 1.00 3.12 C ATOM 728 CZ3 TRP A 47 17.126 9.954 -2.867 1.00 23.14 C ATOM 729 CH2 TRP A 47 17.806 11.150 -2.624 1.00 54.04 C ATOM 0 H TRP A 47 10.710 8.817 -2.661 1.00 34.12 H new ATOM 0 HA TRP A 47 10.925 11.619 -2.690 1.00 65.23 H new ATOM 0 HB2 TRP A 47 12.130 10.149 -1.157 1.00 50.12 H new ATOM 0 HB3 TRP A 47 12.944 9.354 -2.490 1.00 50.12 H new ATOM 0 HD1 TRP A 47 12.699 13.116 -1.393 1.00 74.21 H new ATOM 0 HE1 TRP A 47 15.086 14.120 -1.434 1.00 34.11 H new ATOM 0 HE3 TRP A 47 15.238 8.943 -2.903 1.00 13.31 H new ATOM 0 HZ2 TRP A 47 17.677 13.201 -2.037 1.00 3.12 H new ATOM 0 HZ3 TRP A 47 17.680 9.082 -3.182 1.00 23.14 H new ATOM 0 HH2 TRP A 47 18.877 11.184 -2.756 1.00 54.04 H new ATOM 740 N LYS A 48 12.138 10.100 -5.327 1.00 22.34 N ATOM 741 CA LYS A 48 12.651 10.307 -6.682 1.00 74.55 C ATOM 742 C LYS A 48 11.533 10.631 -7.673 1.00 2.32 C ATOM 743 O LYS A 48 11.744 10.594 -8.882 1.00 13.33 O ATOM 744 CB LYS A 48 13.401 9.064 -7.160 1.00 40.12 C ATOM 745 CG LYS A 48 14.697 8.806 -6.415 1.00 22.33 C ATOM 746 CD LYS A 48 15.315 7.484 -6.834 1.00 43.23 C ATOM 747 CE LYS A 48 16.651 7.251 -6.153 1.00 3.24 C ATOM 748 NZ LYS A 48 17.658 8.272 -6.543 1.00 32.34 N ATOM 0 H LYS A 48 11.933 9.127 -5.102 1.00 22.34 H new ATOM 0 HA LYS A 48 13.329 11.159 -6.642 1.00 74.55 H new ATOM 0 HB2 LYS A 48 12.752 8.195 -7.052 1.00 40.12 H new ATOM 0 HB3 LYS A 48 13.619 9.169 -8.223 1.00 40.12 H new ATOM 0 HG2 LYS A 48 15.399 9.617 -6.609 1.00 22.33 H new ATOM 0 HG3 LYS A 48 14.508 8.798 -5.342 1.00 22.33 H new ATOM 0 HD2 LYS A 48 14.634 6.669 -6.588 1.00 43.23 H new ATOM 0 HD3 LYS A 48 15.450 7.471 -7.916 1.00 43.23 H new ATOM 0 HE2 LYS A 48 16.515 7.270 -5.072 1.00 3.24 H new ATOM 0 HE3 LYS A 48 17.022 6.259 -6.411 1.00 3.24 H new ATOM 0 HZ1 LYS A 48 18.607 7.946 -6.270 1.00 32.34 H new ATOM 0 HZ2 LYS A 48 17.625 8.417 -7.572 1.00 32.34 H new ATOM 0 HZ3 LYS A 48 17.448 9.169 -6.060 1.00 32.34 H new ATOM 762 N LYS A 49 10.348 10.938 -7.167 1.00 5.02 N ATOM 763 CA LYS A 49 9.231 11.311 -8.029 1.00 3.34 C ATOM 764 C LYS A 49 8.594 12.612 -7.558 1.00 74.41 C ATOM 765 O LYS A 49 8.369 13.526 -8.346 1.00 2.01 O ATOM 766 CB LYS A 49 8.181 10.195 -8.076 1.00 13.42 C ATOM 767 CG LYS A 49 6.885 10.608 -8.770 1.00 21.12 C ATOM 768 CD LYS A 49 5.897 9.455 -8.870 1.00 3.24 C ATOM 769 CE LYS A 49 5.998 8.728 -10.207 1.00 64.21 C ATOM 770 NZ LYS A 49 7.362 8.197 -10.471 1.00 42.03 N ATOM 0 H LYS A 49 10.133 10.937 -6.170 1.00 5.02 H new ATOM 0 HA LYS A 49 9.622 11.461 -9.035 1.00 3.34 H new ATOM 0 HB2 LYS A 49 8.602 9.332 -8.593 1.00 13.42 H new ATOM 0 HB3 LYS A 49 7.954 9.877 -7.058 1.00 13.42 H new ATOM 0 HG2 LYS A 49 6.427 11.431 -8.221 1.00 21.12 H new ATOM 0 HG3 LYS A 49 7.112 10.978 -9.770 1.00 21.12 H new ATOM 0 HD2 LYS A 49 6.080 8.750 -8.059 1.00 3.24 H new ATOM 0 HD3 LYS A 49 4.883 9.834 -8.740 1.00 3.24 H new ATOM 0 HE2 LYS A 49 5.283 7.905 -10.223 1.00 64.21 H new ATOM 0 HE3 LYS A 49 5.717 9.411 -11.009 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 7.340 7.586 -11.312 1.00 42.03 H new ATOM 0 HZ2 LYS A 49 8.017 8.988 -10.635 1.00 42.03 H new ATOM 0 HZ3 LYS A 49 7.685 7.645 -9.651 1.00 42.03 H new ATOM 784 N CYS A 50 8.299 12.683 -6.271 1.00 12.50 N ATOM 785 CA CYS A 50 7.649 13.850 -5.700 1.00 71.21 C ATOM 786 C CYS A 50 8.676 14.856 -5.194 1.00 35.22 C ATOM 787 O CYS A 50 8.457 16.066 -5.258 1.00 32.40 O ATOM 788 CB CYS A 50 6.729 13.424 -4.556 1.00 10.52 C ATOM 789 SG CYS A 50 5.488 12.198 -5.027 1.00 23.31 S ATOM 0 H CYS A 50 8.501 11.942 -5.599 1.00 12.50 H new ATOM 0 HA CYS A 50 7.059 14.329 -6.481 1.00 71.21 H new ATOM 0 HB2 CYS A 50 7.336 13.018 -3.747 1.00 10.52 H new ATOM 0 HB3 CYS A 50 6.223 14.306 -4.163 1.00 10.52 H new ATOM 0 HG CYS A 50 4.759 11.899 -3.993 1.00 23.31 H new ATOM 795 N GLY A 51 9.797 14.350 -4.691 1.00 35.33 N ATOM 796 CA GLY A 51 10.811 15.217 -4.123 1.00 52.24 C ATOM 797 C GLY A 51 10.443 15.682 -2.727 1.00 30.01 C ATOM 798 O GLY A 51 11.143 16.495 -2.123 1.00 11.52 O ATOM 0 H GLY A 51 10.021 13.355 -4.667 1.00 35.33 H new ATOM 0 HA2 GLY A 51 11.763 14.688 -4.090 1.00 52.24 H new ATOM 0 HA3 GLY A 51 10.950 16.084 -4.769 1.00 52.24 H new ATOM 802 N THR A 52 9.337 15.162 -2.217 1.00 64.54 N ATOM 803 CA THR A 52 8.852 15.523 -0.899 1.00 12.55 C ATOM 804 C THR A 52 9.311 14.499 0.133 1.00 5.22 C ATOM 805 O THR A 52 9.304 13.296 -0.134 1.00 43.15 O ATOM 806 CB THR A 52 7.310 15.592 -0.889 1.00 11.01 C ATOM 807 OG1 THR A 52 6.846 16.380 -1.997 1.00 51.22 O ATOM 808 CG2 THR A 52 6.790 16.185 0.414 1.00 35.50 C ATOM 0 H THR A 52 8.755 14.481 -2.705 1.00 64.54 H new ATOM 0 HA THR A 52 9.258 16.502 -0.647 1.00 12.55 H new ATOM 0 HB THR A 52 6.929 14.575 -0.978 1.00 11.01 H new ATOM 0 HG1 THR A 52 5.867 16.417 -1.984 1.00 51.22 H new ATOM 0 HG21 THR A 52 5.701 16.220 0.389 1.00 35.50 H new ATOM 0 HG22 THR A 52 7.114 15.566 1.250 1.00 35.50 H new ATOM 0 HG23 THR A 52 7.182 17.195 0.536 1.00 35.50 H new ATOM 816 N SER A 53 9.729 14.978 1.297 1.00 34.34 N ATOM 817 CA SER A 53 10.102 14.096 2.389 1.00 21.23 C ATOM 818 C SER A 53 8.861 13.406 2.948 1.00 20.11 C ATOM 819 O SER A 53 7.803 14.025 3.082 1.00 42.30 O ATOM 820 CB SER A 53 10.824 14.894 3.476 1.00 13.42 C ATOM 821 OG SER A 53 11.995 15.502 2.955 1.00 63.20 O ATOM 0 H SER A 53 9.817 15.972 1.507 1.00 34.34 H new ATOM 0 HA SER A 53 10.781 13.327 2.020 1.00 21.23 H new ATOM 0 HB2 SER A 53 10.158 15.659 3.876 1.00 13.42 H new ATOM 0 HB3 SER A 53 11.087 14.236 4.304 1.00 13.42 H new ATOM 0 HG SER A 53 12.443 16.010 3.664 1.00 63.20 H new ATOM 827 N VAL A 54 8.996 12.128 3.289 1.00 71.23 N ATOM 828 CA VAL A 54 7.848 11.311 3.682 1.00 73.52 C ATOM 829 C VAL A 54 7.355 11.633 5.093 1.00 64.13 C ATOM 830 O VAL A 54 6.506 10.927 5.633 1.00 30.12 O ATOM 831 CB VAL A 54 8.172 9.803 3.586 1.00 20.24 C ATOM 832 CG1 VAL A 54 8.453 9.411 2.143 1.00 1.30 C ATOM 833 CG2 VAL A 54 9.350 9.438 4.482 1.00 65.15 C ATOM 0 H VAL A 54 9.888 11.634 3.302 1.00 71.23 H new ATOM 0 HA VAL A 54 7.051 11.556 2.980 1.00 73.52 H new ATOM 0 HB VAL A 54 7.302 9.246 3.933 1.00 20.24 H new ATOM 0 HG11 VAL A 54 8.679 8.346 2.093 1.00 1.30 H new ATOM 0 HG12 VAL A 54 7.577 9.625 1.531 1.00 1.30 H new ATOM 0 HG13 VAL A 54 9.304 9.981 1.770 1.00 1.30 H new ATOM 0 HG21 VAL A 54 9.556 8.371 4.395 1.00 65.15 H new ATOM 0 HG22 VAL A 54 10.230 10.004 4.175 1.00 65.15 H new ATOM 0 HG23 VAL A 54 9.108 9.677 5.517 1.00 65.15 H new ATOM 843 N ASN A 55 7.869 12.708 5.678 1.00 63.34 N ATOM 844 CA ASN A 55 7.459 13.122 7.019 1.00 43.51 C ATOM 845 C ASN A 55 6.027 13.652 7.003 1.00 31.24 C ATOM 846 O ASN A 55 5.290 13.517 7.981 1.00 75.22 O ATOM 847 CB ASN A 55 8.412 14.192 7.566 1.00 61.13 C ATOM 848 CG ASN A 55 8.018 14.682 8.949 1.00 55.42 C ATOM 849 OD1 ASN A 55 8.383 14.082 9.958 1.00 60.31 O ATOM 850 ND2 ASN A 55 7.290 15.786 9.010 1.00 15.41 N ATOM 0 H ASN A 55 8.570 13.310 5.247 1.00 63.34 H new ATOM 0 HA ASN A 55 7.500 12.251 7.672 1.00 43.51 H new ATOM 0 HB2 ASN A 55 9.423 13.786 7.604 1.00 61.13 H new ATOM 0 HB3 ASN A 55 8.434 15.038 6.879 1.00 61.13 H new ATOM 0 HD21 ASN A 55 7.014 16.165 9.916 1.00 15.41 H new ATOM 0 HD22 ASN A 55 7.005 16.257 8.151 1.00 15.41 H new ATOM 857 N SER A 56 5.634 14.231 5.874 1.00 24.33 N ATOM 858 CA SER A 56 4.308 14.825 5.730 1.00 0.31 C ATOM 859 C SER A 56 3.273 13.779 5.308 1.00 21.01 C ATOM 860 O SER A 56 2.146 14.118 4.943 1.00 24.13 O ATOM 861 CB SER A 56 4.360 15.951 4.697 1.00 32.42 C ATOM 862 OG SER A 56 5.505 16.770 4.887 1.00 54.44 O ATOM 0 H SER A 56 6.218 14.302 5.040 1.00 24.33 H new ATOM 0 HA SER A 56 4.006 15.226 6.697 1.00 0.31 H new ATOM 0 HB2 SER A 56 4.376 15.527 3.693 1.00 32.42 H new ATOM 0 HB3 SER A 56 3.458 16.559 4.772 1.00 32.42 H new ATOM 0 HG SER A 56 5.695 17.263 4.062 1.00 54.44 H new ATOM 868 N MET A 57 3.653 12.511 5.366 1.00 55.24 N ATOM 869 CA MET A 57 2.762 11.432 4.965 1.00 20.14 C ATOM 870 C MET A 57 2.668 10.374 6.057 1.00 15.22 C ATOM 871 O MET A 57 3.618 9.623 6.293 1.00 43.54 O ATOM 872 CB MET A 57 3.242 10.792 3.659 1.00 40.52 C ATOM 873 CG MET A 57 2.344 9.665 3.170 1.00 53.04 C ATOM 874 SD MET A 57 2.968 8.872 1.674 1.00 12.21 S ATOM 875 CE MET A 57 4.517 8.192 2.266 1.00 55.14 C ATOM 0 H MET A 57 4.571 12.204 5.687 1.00 55.24 H new ATOM 0 HA MET A 57 1.771 11.858 4.805 1.00 20.14 H new ATOM 0 HB2 MET A 57 3.301 11.560 2.888 1.00 40.52 H new ATOM 0 HB3 MET A 57 4.251 10.406 3.802 1.00 40.52 H new ATOM 0 HG2 MET A 57 2.245 8.918 3.957 1.00 53.04 H new ATOM 0 HG3 MET A 57 1.346 10.059 2.977 1.00 53.04 H new ATOM 0 HE1 MET A 57 4.835 7.384 1.607 1.00 55.14 H new ATOM 0 HE2 MET A 57 5.277 8.973 2.275 1.00 55.14 H new ATOM 0 HE3 MET A 57 4.382 7.805 3.276 1.00 55.14 H new ATOM 885 N ALA A 58 1.524 10.322 6.723 1.00 5.02 N ATOM 886 CA ALA A 58 1.296 9.335 7.764 1.00 14.22 C ATOM 887 C ALA A 58 0.486 8.168 7.217 1.00 64.21 C ATOM 888 O ALA A 58 -0.620 8.351 6.706 1.00 61.13 O ATOM 889 CB ALA A 58 0.597 9.964 8.960 1.00 62.50 C ATOM 0 H ALA A 58 0.739 10.953 6.560 1.00 5.02 H new ATOM 0 HA ALA A 58 2.262 8.957 8.100 1.00 14.22 H new ATOM 0 HB1 ALA A 58 0.436 9.207 9.727 1.00 62.50 H new ATOM 0 HB2 ALA A 58 1.217 10.764 9.364 1.00 62.50 H new ATOM 0 HB3 ALA A 58 -0.364 10.372 8.647 1.00 62.50 H new ATOM 895 N LEU A 59 1.050 6.975 7.310 1.00 20.22 N ATOM 896 CA LEU A 59 0.393 5.774 6.820 1.00 31.41 C ATOM 897 C LEU A 59 -0.258 5.024 7.956 1.00 10.30 C ATOM 898 O LEU A 59 0.411 4.479 8.834 1.00 33.44 O ATOM 899 CB LEU A 59 1.392 4.864 6.100 1.00 71.23 C ATOM 900 CG LEU A 59 2.112 5.492 4.905 1.00 0.45 C ATOM 901 CD1 LEU A 59 3.163 4.537 4.360 1.00 74.22 C ATOM 902 CD2 LEU A 59 1.116 5.866 3.815 1.00 64.44 C ATOM 0 H LEU A 59 1.968 6.812 7.723 1.00 20.22 H new ATOM 0 HA LEU A 59 -0.377 6.078 6.111 1.00 31.41 H new ATOM 0 HB2 LEU A 59 2.140 4.534 6.820 1.00 71.23 H new ATOM 0 HB3 LEU A 59 0.865 3.974 5.757 1.00 71.23 H new ATOM 0 HG LEU A 59 2.610 6.402 5.241 1.00 0.45 H new ATOM 0 HD11 LEU A 59 3.667 4.997 3.510 1.00 74.22 H new ATOM 0 HD12 LEU A 59 3.893 4.316 5.139 1.00 74.22 H new ATOM 0 HD13 LEU A 59 2.683 3.612 4.040 1.00 74.22 H new ATOM 0 HD21 LEU A 59 1.647 6.311 2.974 1.00 64.44 H new ATOM 0 HD22 LEU A 59 0.590 4.972 3.480 1.00 64.44 H new ATOM 0 HD23 LEU A 59 0.397 6.583 4.210 1.00 64.44 H new ATOM 914 N GLU A 60 -1.570 5.022 7.937 1.00 25.15 N ATOM 915 CA GLU A 60 -2.342 4.294 8.908 1.00 74.12 C ATOM 916 C GLU A 60 -2.911 3.035 8.262 1.00 53.32 C ATOM 917 O GLU A 60 -3.753 3.109 7.369 1.00 10.11 O ATOM 918 CB GLU A 60 -3.457 5.180 9.446 1.00 33.23 C ATOM 919 CG GLU A 60 -4.381 4.449 10.384 1.00 1.33 C ATOM 920 CD GLU A 60 -5.597 5.266 10.753 1.00 23.33 C ATOM 921 OE1 GLU A 60 -5.915 6.232 10.027 1.00 20.15 O ATOM 922 OE2 GLU A 60 -6.256 4.931 11.756 1.00 14.32 O ATOM 0 H GLU A 60 -2.129 5.525 7.248 1.00 25.15 H new ATOM 0 HA GLU A 60 -1.705 4.000 9.742 1.00 74.12 H new ATOM 0 HB2 GLU A 60 -3.019 6.032 9.965 1.00 33.23 H new ATOM 0 HB3 GLU A 60 -4.034 5.578 8.611 1.00 33.23 H new ATOM 0 HG2 GLU A 60 -4.701 3.516 9.920 1.00 1.33 H new ATOM 0 HG3 GLU A 60 -3.837 4.183 11.291 1.00 1.33 H new ATOM 929 N LEU A 61 -2.434 1.883 8.700 1.00 52.12 N ATOM 930 CA LEU A 61 -2.815 0.622 8.085 1.00 44.25 C ATOM 931 C LEU A 61 -3.991 -0.014 8.818 1.00 52.01 C ATOM 932 O LEU A 61 -3.892 -0.336 10.005 1.00 34.22 O ATOM 933 CB LEU A 61 -1.620 -0.333 8.078 1.00 14.23 C ATOM 934 CG LEU A 61 -1.851 -1.662 7.355 1.00 22.31 C ATOM 935 CD1 LEU A 61 -2.163 -1.424 5.885 1.00 24.32 C ATOM 936 CD2 LEU A 61 -0.634 -2.563 7.506 1.00 34.23 C ATOM 0 H LEU A 61 -1.782 1.794 9.479 1.00 52.12 H new ATOM 0 HA LEU A 61 -3.125 0.821 7.059 1.00 44.25 H new ATOM 0 HB2 LEU A 61 -0.774 0.173 7.613 1.00 14.23 H new ATOM 0 HB3 LEU A 61 -1.338 -0.543 9.110 1.00 14.23 H new ATOM 0 HG LEU A 61 -2.708 -2.159 7.809 1.00 22.31 H new ATOM 0 HD11 LEU A 61 -2.324 -2.380 5.388 1.00 24.32 H new ATOM 0 HD12 LEU A 61 -3.062 -0.814 5.798 1.00 24.32 H new ATOM 0 HD13 LEU A 61 -1.327 -0.907 5.415 1.00 24.32 H new ATOM 0 HD21 LEU A 61 -0.812 -3.505 6.987 1.00 34.23 H new ATOM 0 HD22 LEU A 61 0.239 -2.071 7.076 1.00 34.23 H new ATOM 0 HD23 LEU A 61 -0.456 -2.759 8.563 1.00 34.23 H new ATOM 948 N TYR A 62 -5.094 -0.183 8.102 1.00 61.14 N ATOM 949 CA TYR A 62 -6.271 -0.840 8.650 1.00 2.11 C ATOM 950 C TYR A 62 -6.320 -2.301 8.231 1.00 61.41 C ATOM 951 O TYR A 62 -5.968 -2.645 7.099 1.00 72.31 O ATOM 952 CB TYR A 62 -7.561 -0.167 8.167 1.00 3.42 C ATOM 953 CG TYR A 62 -7.847 1.183 8.779 1.00 33.02 C ATOM 954 CD1 TYR A 62 -7.820 1.366 10.154 1.00 71.01 C ATOM 955 CD2 TYR A 62 -8.163 2.271 7.978 1.00 32.31 C ATOM 956 CE1 TYR A 62 -8.092 2.595 10.714 1.00 34.21 C ATOM 957 CE2 TYR A 62 -8.439 3.505 8.530 1.00 3.24 C ATOM 958 CZ TYR A 62 -8.406 3.660 9.897 1.00 71.51 C ATOM 959 OH TYR A 62 -8.668 4.890 10.452 1.00 42.20 O ATOM 0 H TYR A 62 -5.198 0.128 7.136 1.00 61.14 H new ATOM 0 HA TYR A 62 -6.198 -0.761 9.735 1.00 2.11 H new ATOM 0 HB2 TYR A 62 -7.510 -0.054 7.084 1.00 3.42 H new ATOM 0 HB3 TYR A 62 -8.400 -0.830 8.379 1.00 3.42 H new ATOM 0 HD1 TYR A 62 -7.582 0.531 10.796 1.00 71.01 H new ATOM 0 HD2 TYR A 62 -8.193 2.150 6.905 1.00 32.31 H new ATOM 0 HE1 TYR A 62 -8.059 2.723 11.786 1.00 34.21 H new ATOM 0 HE2 TYR A 62 -8.679 4.344 7.893 1.00 3.24 H new ATOM 0 HH TYR A 62 -8.057 5.047 11.202 1.00 42.20 H new ATOM 969 N ASP A 63 -6.750 -3.156 9.143 1.00 1.43 N ATOM 970 CA ASP A 63 -7.058 -4.534 8.801 1.00 11.23 C ATOM 971 C ASP A 63 -8.574 -4.696 8.776 1.00 2.14 C ATOM 972 O ASP A 63 -9.303 -3.760 9.107 1.00 41.23 O ATOM 973 CB ASP A 63 -6.413 -5.520 9.783 1.00 75.31 C ATOM 974 CG ASP A 63 -7.215 -5.715 11.048 1.00 23.54 C ATOM 975 OD1 ASP A 63 -7.101 -4.889 11.970 1.00 53.31 O ATOM 976 OD2 ASP A 63 -7.955 -6.715 11.130 1.00 43.34 O ATOM 0 H ASP A 63 -6.894 -2.921 10.125 1.00 1.43 H new ATOM 0 HA ASP A 63 -6.644 -4.762 7.819 1.00 11.23 H new ATOM 0 HB2 ASP A 63 -6.287 -6.483 9.289 1.00 75.31 H new ATOM 0 HB3 ASP A 63 -5.417 -5.163 10.044 1.00 75.31 H new ATOM 981 N ASP A 64 -9.055 -5.863 8.394 1.00 4.20 N ATOM 982 CA ASP A 64 -10.480 -6.035 8.136 1.00 5.02 C ATOM 983 C ASP A 64 -11.221 -6.640 9.333 1.00 55.24 C ATOM 984 O ASP A 64 -12.450 -6.719 9.337 1.00 31.43 O ATOM 985 CB ASP A 64 -10.669 -6.906 6.894 1.00 34.42 C ATOM 986 CG ASP A 64 -12.100 -6.918 6.399 1.00 73.43 C ATOM 987 OD1 ASP A 64 -12.639 -5.828 6.105 1.00 53.30 O ATOM 988 OD2 ASP A 64 -12.680 -8.013 6.268 1.00 71.13 O ATOM 0 H ASP A 64 -8.491 -6.701 8.255 1.00 4.20 H new ATOM 0 HA ASP A 64 -10.911 -5.048 7.966 1.00 5.02 H new ATOM 0 HB2 ASP A 64 -10.017 -6.544 6.099 1.00 34.42 H new ATOM 0 HB3 ASP A 64 -10.359 -7.926 7.120 1.00 34.42 H new ATOM 993 N SER A 65 -10.480 -7.053 10.354 1.00 53.42 N ATOM 994 CA SER A 65 -11.089 -7.668 11.525 1.00 34.11 C ATOM 995 C SER A 65 -10.988 -6.760 12.752 1.00 25.34 C ATOM 996 O SER A 65 -11.877 -6.749 13.607 1.00 32.22 O ATOM 997 CB SER A 65 -10.447 -9.032 11.803 1.00 23.22 C ATOM 998 OG SER A 65 -9.028 -8.956 11.817 1.00 30.12 O ATOM 0 H SER A 65 -9.464 -6.974 10.395 1.00 53.42 H new ATOM 0 HA SER A 65 -12.148 -7.816 11.315 1.00 34.11 H new ATOM 0 HB2 SER A 65 -10.800 -9.411 12.762 1.00 23.22 H new ATOM 0 HB3 SER A 65 -10.765 -9.745 11.042 1.00 23.22 H new ATOM 0 HG SER A 65 -8.751 -8.017 11.871 1.00 30.12 H new ATOM 1004 N GLY A 66 -9.912 -5.997 12.834 1.00 62.34 N ATOM 1005 CA GLY A 66 -9.734 -5.088 13.942 1.00 23.35 C ATOM 1006 C GLY A 66 -9.773 -3.644 13.501 1.00 30.24 C ATOM 1007 O GLY A 66 -10.818 -3.146 13.071 1.00 60.44 O ATOM 0 H GLY A 66 -9.156 -5.991 12.150 1.00 62.34 H new ATOM 0 HA2 GLY A 66 -10.514 -5.262 14.683 1.00 23.35 H new ATOM 0 HA3 GLY A 66 -8.781 -5.293 14.429 1.00 23.35 H new ATOM 1011 N SER A 67 -8.645 -2.964 13.612 1.00 65.02 N ATOM 1012 CA SER A 67 -8.550 -1.575 13.193 1.00 11.31 C ATOM 1013 C SER A 67 -7.124 -1.230 12.769 1.00 75.32 C ATOM 1014 O SER A 67 -6.799 -1.247 11.584 1.00 43.41 O ATOM 1015 CB SER A 67 -9.017 -0.640 14.314 1.00 3.55 C ATOM 1016 OG SER A 67 -10.354 -0.926 14.694 1.00 12.21 O ATOM 0 H SER A 67 -7.780 -3.351 13.989 1.00 65.02 H new ATOM 0 HA SER A 67 -9.204 -1.436 12.332 1.00 11.31 H new ATOM 0 HB2 SER A 67 -8.360 -0.746 15.177 1.00 3.55 H new ATOM 0 HB3 SER A 67 -8.944 0.396 13.982 1.00 3.55 H new ATOM 0 HG SER A 67 -10.628 -0.317 15.412 1.00 12.21 H new ATOM 1022 N LYS A 68 -6.264 -0.945 13.740 1.00 11.34 N ATOM 1023 CA LYS A 68 -4.908 -0.500 13.449 1.00 12.01 C ATOM 1024 C LYS A 68 -3.917 -1.657 13.564 1.00 43.03 C ATOM 1025 O LYS A 68 -3.812 -2.298 14.611 1.00 22.42 O ATOM 1026 CB LYS A 68 -4.509 0.633 14.401 1.00 11.52 C ATOM 1027 CG LYS A 68 -5.391 1.869 14.300 1.00 54.44 C ATOM 1028 CD LYS A 68 -5.046 2.878 15.385 1.00 32.53 C ATOM 1029 CE LYS A 68 -6.014 4.054 15.409 1.00 42.22 C ATOM 1030 NZ LYS A 68 -5.799 4.997 14.281 1.00 40.21 N ATOM 0 H LYS A 68 -6.482 -1.014 14.734 1.00 11.34 H new ATOM 0 HA LYS A 68 -4.883 -0.130 12.424 1.00 12.01 H new ATOM 0 HB2 LYS A 68 -4.540 0.261 15.425 1.00 11.52 H new ATOM 0 HB3 LYS A 68 -3.477 0.918 14.197 1.00 11.52 H new ATOM 0 HG2 LYS A 68 -5.268 2.328 13.319 1.00 54.44 H new ATOM 0 HG3 LYS A 68 -6.438 1.580 14.387 1.00 54.44 H new ATOM 0 HD2 LYS A 68 -5.056 2.382 16.356 1.00 32.53 H new ATOM 0 HD3 LYS A 68 -4.033 3.247 15.226 1.00 32.53 H new ATOM 0 HE2 LYS A 68 -7.037 3.678 15.373 1.00 42.22 H new ATOM 0 HE3 LYS A 68 -5.904 4.590 16.352 1.00 42.22 H new ATOM 0 HZ1 LYS A 68 -6.349 5.864 14.444 1.00 40.21 H new ATOM 0 HZ2 LYS A 68 -4.789 5.235 14.215 1.00 40.21 H new ATOM 0 HZ3 LYS A 68 -6.109 4.553 13.393 1.00 40.21 H new ATOM 1044 N VAL A 69 -3.204 -1.926 12.477 1.00 62.12 N ATOM 1045 CA VAL A 69 -2.193 -2.982 12.453 1.00 60.42 C ATOM 1046 C VAL A 69 -0.860 -2.443 11.934 1.00 75.05 C ATOM 1047 O VAL A 69 -0.156 -3.109 11.175 1.00 41.22 O ATOM 1048 CB VAL A 69 -2.638 -4.176 11.577 1.00 60.32 C ATOM 1049 CG1 VAL A 69 -3.740 -4.964 12.265 1.00 41.34 C ATOM 1050 CG2 VAL A 69 -3.107 -3.703 10.209 1.00 71.31 C ATOM 0 H VAL A 69 -3.307 -1.425 11.594 1.00 62.12 H new ATOM 0 HA VAL A 69 -2.069 -3.331 13.478 1.00 60.42 H new ATOM 0 HB VAL A 69 -1.776 -4.828 11.438 1.00 60.32 H new ATOM 0 HG11 VAL A 69 -4.039 -5.800 11.632 1.00 41.34 H new ATOM 0 HG12 VAL A 69 -3.374 -5.344 13.219 1.00 41.34 H new ATOM 0 HG13 VAL A 69 -4.598 -4.315 12.438 1.00 41.34 H new ATOM 0 HG21 VAL A 69 -3.414 -4.562 9.613 1.00 71.31 H new ATOM 0 HG22 VAL A 69 -3.951 -3.024 10.329 1.00 71.31 H new ATOM 0 HG23 VAL A 69 -2.292 -3.184 9.704 1.00 71.31 H new ATOM 1060 N ALA A 70 -0.510 -1.241 12.366 1.00 42.43 N ATOM 1061 CA ALA A 70 0.701 -0.584 11.889 1.00 4.24 C ATOM 1062 C ALA A 70 1.954 -1.155 12.552 1.00 41.32 C ATOM 1063 O ALA A 70 2.170 -0.987 13.755 1.00 21.12 O ATOM 1064 CB ALA A 70 0.611 0.918 12.127 1.00 72.42 C ATOM 0 H ALA A 70 -1.045 -0.700 13.045 1.00 42.43 H new ATOM 0 HA ALA A 70 0.782 -0.773 10.819 1.00 4.24 H new ATOM 0 HB1 ALA A 70 1.521 1.399 11.767 1.00 72.42 H new ATOM 0 HB2 ALA A 70 -0.249 1.320 11.591 1.00 72.42 H new ATOM 0 HB3 ALA A 70 0.496 1.111 13.194 1.00 72.42 H new ATOM 1070 N VAL A 71 2.766 -1.851 11.766 1.00 31.30 N ATOM 1071 CA VAL A 71 4.055 -2.339 12.238 1.00 31.03 C ATOM 1072 C VAL A 71 5.146 -1.337 11.867 1.00 60.25 C ATOM 1073 O VAL A 71 5.699 -0.664 12.737 1.00 3.34 O ATOM 1074 CB VAL A 71 4.393 -3.724 11.643 1.00 53.23 C ATOM 1075 CG1 VAL A 71 5.691 -4.262 12.230 1.00 35.24 C ATOM 1076 CG2 VAL A 71 3.250 -4.701 11.882 1.00 50.24 C ATOM 0 H VAL A 71 2.554 -2.090 10.797 1.00 31.30 H new ATOM 0 HA VAL A 71 4.000 -2.447 13.321 1.00 31.03 H new ATOM 0 HB VAL A 71 4.529 -3.610 10.568 1.00 53.23 H new ATOM 0 HG11 VAL A 71 5.909 -5.238 11.797 1.00 35.24 H new ATOM 0 HG12 VAL A 71 6.506 -3.574 12.003 1.00 35.24 H new ATOM 0 HG13 VAL A 71 5.589 -4.360 13.311 1.00 35.24 H new ATOM 0 HG21 VAL A 71 3.506 -5.671 11.456 1.00 50.24 H new ATOM 0 HG22 VAL A 71 3.081 -4.808 12.953 1.00 50.24 H new ATOM 0 HG23 VAL A 71 2.344 -4.324 11.408 1.00 50.24 H new ATOM 1086 N LEU A 72 5.453 -1.262 10.569 1.00 44.53 N ATOM 1087 CA LEU A 72 6.311 -0.210 10.014 1.00 40.44 C ATOM 1088 C LEU A 72 7.754 -0.335 10.516 1.00 53.22 C ATOM 1089 O LEU A 72 8.525 0.623 10.481 1.00 32.30 O ATOM 1090 CB LEU A 72 5.735 1.176 10.351 1.00 44.23 C ATOM 1091 CG LEU A 72 6.337 2.350 9.573 1.00 60.05 C ATOM 1092 CD1 LEU A 72 6.143 2.159 8.074 1.00 52.41 C ATOM 1093 CD2 LEU A 72 5.715 3.661 10.030 1.00 63.10 C ATOM 0 H LEU A 72 5.115 -1.927 9.874 1.00 44.53 H new ATOM 0 HA LEU A 72 6.332 -0.330 8.931 1.00 40.44 H new ATOM 0 HB2 LEU A 72 4.660 1.157 10.170 1.00 44.23 H new ATOM 0 HB3 LEU A 72 5.876 1.359 11.416 1.00 44.23 H new ATOM 0 HG LEU A 72 7.408 2.385 9.775 1.00 60.05 H new ATOM 0 HD11 LEU A 72 6.578 3.004 7.540 1.00 52.41 H new ATOM 0 HD12 LEU A 72 6.634 1.239 7.758 1.00 52.41 H new ATOM 0 HD13 LEU A 72 5.078 2.097 7.850 1.00 52.41 H new ATOM 0 HD21 LEU A 72 6.152 4.486 9.468 1.00 63.10 H new ATOM 0 HD22 LEU A 72 4.639 3.634 9.856 1.00 63.10 H new ATOM 0 HD23 LEU A 72 5.907 3.804 11.093 1.00 63.10 H new ATOM 1105 N SER A 73 8.121 -1.527 10.956 1.00 4.43 N ATOM 1106 CA SER A 73 9.486 -1.788 11.394 1.00 34.33 C ATOM 1107 C SER A 73 10.079 -2.878 10.512 1.00 73.41 C ATOM 1108 O SER A 73 11.203 -3.334 10.710 1.00 62.11 O ATOM 1109 CB SER A 73 9.500 -2.211 12.866 1.00 41.22 C ATOM 1110 OG SER A 73 10.811 -2.169 13.413 1.00 31.40 O ATOM 0 H SER A 73 7.495 -2.330 11.020 1.00 4.43 H new ATOM 0 HA SER A 73 10.086 -0.882 11.304 1.00 34.33 H new ATOM 0 HB2 SER A 73 8.845 -1.555 13.439 1.00 41.22 H new ATOM 0 HB3 SER A 73 9.099 -3.221 12.958 1.00 41.22 H new ATOM 0 HG SER A 73 11.451 -2.512 12.755 1.00 31.40 H new ATOM 1116 N ASP A 74 9.296 -3.267 9.525 1.00 3.33 N ATOM 1117 CA ASP A 74 9.633 -4.339 8.603 1.00 34.51 C ATOM 1118 C ASP A 74 10.124 -3.769 7.276 1.00 33.50 C ATOM 1119 O ASP A 74 10.264 -4.486 6.289 1.00 34.14 O ATOM 1120 CB ASP A 74 8.386 -5.196 8.376 1.00 43.22 C ATOM 1121 CG ASP A 74 7.165 -4.339 8.070 1.00 35.34 C ATOM 1122 OD1 ASP A 74 6.654 -3.672 9.008 1.00 72.25 O ATOM 1123 OD2 ASP A 74 6.726 -4.314 6.907 1.00 52.13 O ATOM 0 H ASP A 74 8.389 -2.840 9.336 1.00 3.33 H new ATOM 0 HA ASP A 74 10.433 -4.947 9.027 1.00 34.51 H new ATOM 0 HB2 ASP A 74 8.563 -5.886 7.551 1.00 43.22 H new ATOM 0 HB3 ASP A 74 8.194 -5.801 9.262 1.00 43.22 H new ATOM 1128 N ASP A 75 10.432 -2.479 7.287 1.00 14.01 N ATOM 1129 CA ASP A 75 10.746 -1.740 6.066 1.00 14.04 C ATOM 1130 C ASP A 75 12.010 -2.247 5.373 1.00 72.41 C ATOM 1131 O ASP A 75 12.170 -2.056 4.168 1.00 44.35 O ATOM 1132 CB ASP A 75 10.897 -0.248 6.369 1.00 1.45 C ATOM 1133 CG ASP A 75 12.084 0.057 7.262 1.00 72.43 C ATOM 1134 OD1 ASP A 75 12.016 -0.245 8.471 1.00 31.44 O ATOM 1135 OD2 ASP A 75 13.084 0.614 6.764 1.00 22.14 O ATOM 0 H ASP A 75 10.472 -1.916 8.136 1.00 14.01 H new ATOM 0 HA ASP A 75 9.911 -1.902 5.385 1.00 14.04 H new ATOM 0 HB2 ASP A 75 11.004 0.299 5.432 1.00 1.45 H new ATOM 0 HB3 ASP A 75 9.987 0.114 6.847 1.00 1.45 H new ATOM 1140 N SER A 76 12.905 -2.885 6.124 1.00 53.01 N ATOM 1141 CA SER A 76 14.161 -3.370 5.560 1.00 2.22 C ATOM 1142 C SER A 76 14.050 -4.831 5.129 1.00 60.43 C ATOM 1143 O SER A 76 15.027 -5.436 4.684 1.00 63.21 O ATOM 1144 CB SER A 76 15.293 -3.211 6.579 1.00 3.50 C ATOM 1145 OG SER A 76 15.409 -1.863 7.007 1.00 62.35 O ATOM 0 H SER A 76 12.785 -3.077 7.118 1.00 53.01 H new ATOM 0 HA SER A 76 14.384 -2.772 4.676 1.00 2.22 H new ATOM 0 HB2 SER A 76 15.105 -3.854 7.439 1.00 3.50 H new ATOM 0 HB3 SER A 76 16.234 -3.537 6.136 1.00 3.50 H new ATOM 0 HG SER A 76 16.137 -1.788 7.658 1.00 62.35 H new ATOM 1151 N ARG A 77 12.859 -5.397 5.263 1.00 22.54 N ATOM 1152 CA ARG A 77 12.624 -6.778 4.867 1.00 61.22 C ATOM 1153 C ARG A 77 11.513 -6.831 3.825 1.00 12.44 C ATOM 1154 O ARG A 77 10.753 -5.876 3.679 1.00 11.43 O ATOM 1155 CB ARG A 77 12.232 -7.638 6.082 1.00 61.24 C ATOM 1156 CG ARG A 77 13.203 -7.562 7.252 1.00 60.41 C ATOM 1157 CD ARG A 77 14.628 -7.909 6.849 1.00 32.53 C ATOM 1158 NE ARG A 77 14.743 -9.233 6.238 1.00 13.15 N ATOM 1159 CZ ARG A 77 15.410 -10.253 6.782 1.00 13.02 C ATOM 1160 NH1 ARG A 77 15.905 -10.154 8.011 1.00 34.25 N ATOM 1161 NH2 ARG A 77 15.561 -11.378 6.094 1.00 10.13 N ATOM 0 H ARG A 77 12.041 -4.921 5.643 1.00 22.54 H new ATOM 0 HA ARG A 77 13.546 -7.176 4.443 1.00 61.22 H new ATOM 0 HB2 ARG A 77 11.245 -7.329 6.426 1.00 61.24 H new ATOM 0 HB3 ARG A 77 12.148 -8.677 5.763 1.00 61.24 H new ATOM 0 HG2 ARG A 77 13.182 -6.557 7.673 1.00 60.41 H new ATOM 0 HG3 ARG A 77 12.875 -8.243 8.037 1.00 60.41 H new ATOM 0 HD2 ARG A 77 14.995 -7.159 6.148 1.00 32.53 H new ATOM 0 HD3 ARG A 77 15.270 -7.864 7.729 1.00 32.53 H new ATOM 0 HE ARG A 77 14.285 -9.386 5.340 1.00 13.15 H new ATOM 0 HH11 ARG A 77 15.776 -9.295 8.545 1.00 34.25 H new ATOM 0 HH12 ARG A 77 16.414 -10.938 8.421 1.00 34.25 H new ATOM 0 HH21 ARG A 77 15.169 -11.459 5.156 1.00 10.13 H new ATOM 0 HH22 ARG A 77 16.070 -12.162 6.503 1.00 10.13 H new ATOM 1175 N PRO A 78 11.426 -7.924 3.058 1.00 35.41 N ATOM 1176 CA PRO A 78 10.292 -8.159 2.168 1.00 3.24 C ATOM 1177 C PRO A 78 9.024 -8.399 2.975 1.00 23.53 C ATOM 1178 O PRO A 78 9.038 -9.173 3.933 1.00 74.13 O ATOM 1179 CB PRO A 78 10.680 -9.427 1.393 1.00 41.20 C ATOM 1180 CG PRO A 78 12.143 -9.600 1.625 1.00 4.11 C ATOM 1181 CD PRO A 78 12.420 -9.001 2.973 1.00 51.31 C ATOM 0 HA PRO A 78 10.090 -7.311 1.513 1.00 3.24 H new ATOM 0 HB2 PRO A 78 10.121 -10.292 1.749 1.00 41.20 H new ATOM 0 HB3 PRO A 78 10.460 -9.321 0.331 1.00 41.20 H new ATOM 0 HG2 PRO A 78 12.420 -10.654 1.602 1.00 4.11 H new ATOM 0 HG3 PRO A 78 12.723 -9.101 0.849 1.00 4.11 H new ATOM 0 HD2 PRO A 78 12.296 -9.730 3.773 1.00 51.31 H new ATOM 0 HD3 PRO A 78 13.438 -8.619 3.045 1.00 51.31 H new ATOM 1189 N LEU A 79 7.938 -7.741 2.599 1.00 23.34 N ATOM 1190 CA LEU A 79 6.678 -7.868 3.327 1.00 12.33 C ATOM 1191 C LEU A 79 6.188 -9.318 3.317 1.00 0.45 C ATOM 1192 O LEU A 79 5.526 -9.776 4.250 1.00 52.02 O ATOM 1193 CB LEU A 79 5.622 -6.937 2.719 1.00 62.02 C ATOM 1194 CG LEU A 79 4.302 -6.850 3.490 1.00 24.00 C ATOM 1195 CD1 LEU A 79 4.546 -6.369 4.912 1.00 75.53 C ATOM 1196 CD2 LEU A 79 3.331 -5.924 2.776 1.00 11.11 C ATOM 0 H LEU A 79 7.900 -7.114 1.796 1.00 23.34 H new ATOM 0 HA LEU A 79 6.846 -7.577 4.364 1.00 12.33 H new ATOM 0 HB2 LEU A 79 6.046 -5.936 2.643 1.00 62.02 H new ATOM 0 HB3 LEU A 79 5.409 -7.271 1.704 1.00 62.02 H new ATOM 0 HG LEU A 79 3.862 -7.846 3.534 1.00 24.00 H new ATOM 0 HD11 LEU A 79 3.597 -6.313 5.445 1.00 75.53 H new ATOM 0 HD12 LEU A 79 5.209 -7.067 5.423 1.00 75.53 H new ATOM 0 HD13 LEU A 79 5.007 -5.382 4.888 1.00 75.53 H new ATOM 0 HD21 LEU A 79 2.398 -5.873 3.337 1.00 11.11 H new ATOM 0 HD22 LEU A 79 3.766 -4.927 2.703 1.00 11.11 H new ATOM 0 HD23 LEU A 79 3.132 -6.307 1.775 1.00 11.11 H new ATOM 1208 N GLY A 80 6.542 -10.043 2.262 1.00 51.51 N ATOM 1209 CA GLY A 80 6.184 -11.443 2.154 1.00 73.41 C ATOM 1210 C GLY A 80 6.893 -12.310 3.179 1.00 45.33 C ATOM 1211 O GLY A 80 6.485 -13.442 3.430 1.00 34.12 O ATOM 0 H GLY A 80 7.076 -9.680 1.472 1.00 51.51 H new ATOM 0 HA2 GLY A 80 5.106 -11.549 2.278 1.00 73.41 H new ATOM 0 HA3 GLY A 80 6.426 -11.800 1.153 1.00 73.41 H new ATOM 1215 N PHE A 81 7.951 -11.774 3.778 1.00 70.25 N ATOM 1216 CA PHE A 81 8.693 -12.488 4.812 1.00 15.52 C ATOM 1217 C PHE A 81 7.843 -12.609 6.071 1.00 41.11 C ATOM 1218 O PHE A 81 7.965 -13.568 6.830 1.00 73.21 O ATOM 1219 CB PHE A 81 10.004 -11.754 5.111 1.00 73.15 C ATOM 1220 CG PHE A 81 10.873 -12.425 6.135 1.00 53.13 C ATOM 1221 CD1 PHE A 81 11.662 -13.508 5.785 1.00 72.42 C ATOM 1222 CD2 PHE A 81 10.906 -11.968 7.441 1.00 73.43 C ATOM 1223 CE1 PHE A 81 12.468 -14.121 6.721 1.00 62.05 C ATOM 1224 CE2 PHE A 81 11.709 -12.579 8.383 1.00 71.25 C ATOM 1225 CZ PHE A 81 12.491 -13.657 8.022 1.00 11.13 C ATOM 0 H PHE A 81 8.315 -10.845 3.565 1.00 70.25 H new ATOM 0 HA PHE A 81 8.931 -13.491 4.459 1.00 15.52 H new ATOM 0 HB2 PHE A 81 10.569 -11.652 4.184 1.00 73.15 H new ATOM 0 HB3 PHE A 81 9.771 -10.746 5.455 1.00 73.15 H new ATOM 0 HD1 PHE A 81 11.646 -13.876 4.770 1.00 72.42 H new ATOM 0 HD2 PHE A 81 10.296 -11.123 7.726 1.00 73.43 H new ATOM 0 HE1 PHE A 81 13.081 -14.964 6.437 1.00 62.05 H new ATOM 0 HE2 PHE A 81 11.725 -12.214 9.399 1.00 71.25 H new ATOM 0 HZ PHE A 81 13.121 -14.138 8.756 1.00 11.13 H new ATOM 1235 N PHE A 82 6.981 -11.621 6.281 1.00 44.14 N ATOM 1236 CA PHE A 82 6.036 -11.649 7.387 1.00 34.43 C ATOM 1237 C PHE A 82 4.772 -12.394 6.965 1.00 14.40 C ATOM 1238 O PHE A 82 4.060 -12.959 7.795 1.00 72.15 O ATOM 1239 CB PHE A 82 5.698 -10.218 7.823 1.00 70.31 C ATOM 1240 CG PHE A 82 4.765 -10.133 9.002 1.00 51.24 C ATOM 1241 CD1 PHE A 82 5.235 -10.331 10.290 1.00 50.15 C ATOM 1242 CD2 PHE A 82 3.421 -9.839 8.821 1.00 52.03 C ATOM 1243 CE1 PHE A 82 4.381 -10.253 11.375 1.00 0.52 C ATOM 1244 CE2 PHE A 82 2.564 -9.759 9.903 1.00 12.50 C ATOM 1245 CZ PHE A 82 3.047 -9.961 11.181 1.00 34.43 C ATOM 0 H PHE A 82 6.918 -10.788 5.696 1.00 44.14 H new ATOM 0 HA PHE A 82 6.484 -12.171 8.232 1.00 34.43 H new ATOM 0 HB2 PHE A 82 6.624 -9.697 8.069 1.00 70.31 H new ATOM 0 HB3 PHE A 82 5.250 -9.691 6.981 1.00 70.31 H new ATOM 0 HD1 PHE A 82 6.281 -10.549 10.449 1.00 50.15 H new ATOM 0 HD2 PHE A 82 3.040 -9.671 7.824 1.00 52.03 H new ATOM 0 HE1 PHE A 82 4.758 -10.421 12.373 1.00 0.52 H new ATOM 0 HE2 PHE A 82 1.518 -9.539 9.749 1.00 12.50 H new ATOM 0 HZ PHE A 82 2.381 -9.890 12.028 1.00 34.43 H new ATOM 1255 N SER A 83 4.524 -12.384 5.654 1.00 5.31 N ATOM 1256 CA SER A 83 3.362 -13.039 5.054 1.00 13.21 C ATOM 1257 C SER A 83 2.059 -12.371 5.500 1.00 51.43 C ATOM 1258 O SER A 83 1.414 -12.803 6.456 1.00 53.45 O ATOM 1259 CB SER A 83 3.348 -14.535 5.382 1.00 34.24 C ATOM 1260 OG SER A 83 4.564 -15.153 4.987 1.00 4.42 O ATOM 0 H SER A 83 5.127 -11.919 4.976 1.00 5.31 H new ATOM 0 HA SER A 83 3.440 -12.930 3.972 1.00 13.21 H new ATOM 0 HB2 SER A 83 3.195 -14.675 6.452 1.00 34.24 H new ATOM 0 HB3 SER A 83 2.511 -15.014 4.875 1.00 34.24 H new ATOM 0 HG SER A 83 5.104 -14.515 4.474 1.00 4.42 H new ATOM 1266 N PRO A 84 1.679 -11.279 4.823 1.00 40.12 N ATOM 1267 CA PRO A 84 0.478 -10.524 5.143 1.00 61.31 C ATOM 1268 C PRO A 84 -0.726 -10.941 4.299 1.00 53.52 C ATOM 1269 O PRO A 84 -0.719 -11.991 3.656 1.00 54.44 O ATOM 1270 CB PRO A 84 0.909 -9.107 4.789 1.00 33.13 C ATOM 1271 CG PRO A 84 1.814 -9.275 3.608 1.00 34.05 C ATOM 1272 CD PRO A 84 2.395 -10.670 3.689 1.00 0.45 C ATOM 0 HA PRO A 84 0.149 -10.666 6.172 1.00 61.31 H new ATOM 0 HB2 PRO A 84 0.051 -8.480 4.546 1.00 33.13 H new ATOM 0 HB3 PRO A 84 1.427 -8.630 5.621 1.00 33.13 H new ATOM 0 HG2 PRO A 84 1.262 -9.141 2.678 1.00 34.05 H new ATOM 0 HG3 PRO A 84 2.606 -8.526 3.620 1.00 34.05 H new ATOM 0 HD2 PRO A 84 2.231 -11.227 2.766 1.00 0.45 H new ATOM 0 HD3 PRO A 84 3.471 -10.647 3.860 1.00 0.45 H new ATOM 1280 N PHE A 85 -1.753 -10.104 4.306 1.00 25.14 N ATOM 1281 CA PHE A 85 -2.952 -10.348 3.520 1.00 13.43 C ATOM 1282 C PHE A 85 -3.069 -9.299 2.420 1.00 41.34 C ATOM 1283 O PHE A 85 -2.265 -8.369 2.361 1.00 72.13 O ATOM 1284 CB PHE A 85 -4.191 -10.319 4.416 1.00 61.54 C ATOM 1285 CG PHE A 85 -4.194 -11.392 5.467 1.00 63.12 C ATOM 1286 CD1 PHE A 85 -4.534 -12.698 5.144 1.00 4.52 C ATOM 1287 CD2 PHE A 85 -3.859 -11.095 6.777 1.00 33.11 C ATOM 1288 CE1 PHE A 85 -4.535 -13.686 6.110 1.00 44.23 C ATOM 1289 CE2 PHE A 85 -3.860 -12.079 7.746 1.00 34.11 C ATOM 1290 CZ PHE A 85 -4.199 -13.375 7.414 1.00 11.55 C ATOM 0 H PHE A 85 -1.779 -9.243 4.852 1.00 25.14 H new ATOM 0 HA PHE A 85 -2.882 -11.335 3.063 1.00 13.43 H new ATOM 0 HB2 PHE A 85 -4.256 -9.345 4.902 1.00 61.54 H new ATOM 0 HB3 PHE A 85 -5.081 -10.426 3.796 1.00 61.54 H new ATOM 0 HD1 PHE A 85 -4.801 -12.945 4.127 1.00 4.52 H new ATOM 0 HD2 PHE A 85 -3.594 -10.083 7.044 1.00 33.11 H new ATOM 0 HE1 PHE A 85 -4.798 -14.700 5.846 1.00 44.23 H new ATOM 0 HE2 PHE A 85 -3.595 -11.834 8.764 1.00 34.11 H new ATOM 0 HZ PHE A 85 -4.202 -14.145 8.172 1.00 11.55 H new ATOM 1300 N ASP A 86 -4.070 -9.438 1.564 1.00 3.42 N ATOM 1301 CA ASP A 86 -4.252 -8.514 0.448 1.00 2.42 C ATOM 1302 C ASP A 86 -5.491 -7.658 0.674 1.00 25.34 C ATOM 1303 O ASP A 86 -5.887 -6.869 -0.185 1.00 61.15 O ATOM 1304 CB ASP A 86 -4.367 -9.280 -0.880 1.00 3.13 C ATOM 1305 CG ASP A 86 -5.760 -9.832 -1.138 1.00 50.10 C ATOM 1306 OD1 ASP A 86 -6.286 -10.570 -0.278 1.00 24.41 O ATOM 1307 OD2 ASP A 86 -6.332 -9.528 -2.207 1.00 54.14 O ATOM 0 H ASP A 86 -4.769 -10.179 1.618 1.00 3.42 H new ATOM 0 HA ASP A 86 -3.379 -7.864 0.392 1.00 2.42 H new ATOM 0 HB2 ASP A 86 -4.089 -8.617 -1.699 1.00 3.13 H new ATOM 0 HB3 ASP A 86 -3.652 -10.103 -0.880 1.00 3.13 H new ATOM 1312 N GLY A 87 -6.100 -7.822 1.839 1.00 10.11 N ATOM 1313 CA GLY A 87 -7.300 -7.078 2.161 1.00 45.22 C ATOM 1314 C GLY A 87 -7.049 -5.954 3.146 1.00 1.13 C ATOM 1315 O GLY A 87 -7.973 -5.491 3.815 1.00 41.14 O ATOM 0 H GLY A 87 -5.783 -8.459 2.570 1.00 10.11 H new ATOM 0 HA2 GLY A 87 -7.722 -6.664 1.245 1.00 45.22 H new ATOM 0 HA3 GLY A 87 -8.044 -7.759 2.576 1.00 45.22 H new ATOM 1319 N PHE A 88 -5.800 -5.514 3.239 1.00 31.33 N ATOM 1320 CA PHE A 88 -5.448 -4.403 4.113 1.00 11.53 C ATOM 1321 C PHE A 88 -5.782 -3.082 3.444 1.00 54.51 C ATOM 1322 O PHE A 88 -5.686 -2.951 2.225 1.00 73.14 O ATOM 1323 CB PHE A 88 -3.961 -4.431 4.478 1.00 10.12 C ATOM 1324 CG PHE A 88 -3.585 -5.525 5.436 1.00 53.33 C ATOM 1325 CD1 PHE A 88 -4.209 -5.627 6.669 1.00 74.22 C ATOM 1326 CD2 PHE A 88 -2.597 -6.442 5.113 1.00 50.42 C ATOM 1327 CE1 PHE A 88 -3.859 -6.621 7.562 1.00 1.21 C ATOM 1328 CE2 PHE A 88 -2.244 -7.440 6.001 1.00 42.11 C ATOM 1329 CZ PHE A 88 -2.875 -7.532 7.226 1.00 40.42 C ATOM 0 H PHE A 88 -5.015 -5.909 2.721 1.00 31.33 H new ATOM 0 HA PHE A 88 -6.030 -4.505 5.029 1.00 11.53 H new ATOM 0 HB2 PHE A 88 -3.376 -4.545 3.565 1.00 10.12 H new ATOM 0 HB3 PHE A 88 -3.687 -3.471 4.914 1.00 10.12 H new ATOM 0 HD1 PHE A 88 -4.980 -4.919 6.936 1.00 74.22 H new ATOM 0 HD2 PHE A 88 -2.098 -6.376 4.157 1.00 50.42 H new ATOM 0 HE1 PHE A 88 -4.353 -6.686 8.520 1.00 1.21 H new ATOM 0 HE2 PHE A 88 -1.474 -8.149 5.737 1.00 42.11 H new ATOM 0 HZ PHE A 88 -2.601 -8.313 7.919 1.00 40.42 H new ATOM 1339 N ARG A 89 -6.174 -2.105 4.242 1.00 4.44 N ATOM 1340 CA ARG A 89 -6.553 -0.804 3.721 1.00 44.43 C ATOM 1341 C ARG A 89 -5.589 0.264 4.212 1.00 21.14 C ATOM 1342 O ARG A 89 -5.488 0.526 5.412 1.00 22.23 O ATOM 1343 CB ARG A 89 -7.992 -0.474 4.122 1.00 74.43 C ATOM 1344 CG ARG A 89 -9.008 -1.413 3.489 1.00 72.44 C ATOM 1345 CD ARG A 89 -10.407 -1.200 4.045 1.00 22.34 C ATOM 1346 NE ARG A 89 -11.388 -2.058 3.379 1.00 51.45 N ATOM 1347 CZ ARG A 89 -11.983 -3.108 3.951 1.00 30.12 C ATOM 1348 NH1 ARG A 89 -11.694 -3.454 5.201 1.00 22.21 N ATOM 1349 NH2 ARG A 89 -12.876 -3.808 3.265 1.00 73.23 N ATOM 0 H ARG A 89 -6.238 -2.188 5.257 1.00 4.44 H new ATOM 0 HA ARG A 89 -6.501 -0.829 2.633 1.00 44.43 H new ATOM 0 HB2 ARG A 89 -8.083 -0.525 5.207 1.00 74.43 H new ATOM 0 HB3 ARG A 89 -8.220 0.551 3.831 1.00 74.43 H new ATOM 0 HG2 ARG A 89 -9.020 -1.260 2.410 1.00 72.44 H new ATOM 0 HG3 ARG A 89 -8.703 -2.445 3.661 1.00 72.44 H new ATOM 0 HD2 ARG A 89 -10.409 -1.407 5.115 1.00 22.34 H new ATOM 0 HD3 ARG A 89 -10.693 -0.155 3.922 1.00 22.34 H new ATOM 0 HE ARG A 89 -11.634 -1.839 2.413 1.00 51.45 H new ATOM 0 HH11 ARG A 89 -11.011 -2.916 5.734 1.00 22.21 H new ATOM 0 HH12 ARG A 89 -12.155 -4.258 5.627 1.00 22.21 H new ATOM 0 HH21 ARG A 89 -13.105 -3.543 2.307 1.00 73.23 H new ATOM 0 HH22 ARG A 89 -13.334 -4.611 3.695 1.00 73.23 H new ATOM 1363 N LEU A 90 -4.875 0.869 3.275 1.00 25.41 N ATOM 1364 CA LEU A 90 -3.870 1.867 3.600 1.00 60.42 C ATOM 1365 C LEU A 90 -4.505 3.247 3.678 1.00 63.10 C ATOM 1366 O LEU A 90 -4.773 3.874 2.654 1.00 34.44 O ATOM 1367 CB LEU A 90 -2.736 1.876 2.559 1.00 11.35 C ATOM 1368 CG LEU A 90 -1.835 0.633 2.528 1.00 1.33 C ATOM 1369 CD1 LEU A 90 -2.559 -0.563 1.928 1.00 62.23 C ATOM 1370 CD2 LEU A 90 -0.562 0.925 1.749 1.00 71.34 C ATOM 0 H LEU A 90 -4.975 0.684 2.277 1.00 25.41 H new ATOM 0 HA LEU A 90 -3.444 1.608 4.570 1.00 60.42 H new ATOM 0 HB2 LEU A 90 -3.179 2.003 1.571 1.00 11.35 H new ATOM 0 HB3 LEU A 90 -2.109 2.749 2.742 1.00 11.35 H new ATOM 0 HG LEU A 90 -1.573 0.383 3.556 1.00 1.33 H new ATOM 0 HD11 LEU A 90 -1.893 -1.426 1.921 1.00 62.23 H new ATOM 0 HD12 LEU A 90 -3.442 -0.791 2.525 1.00 62.23 H new ATOM 0 HD13 LEU A 90 -2.862 -0.330 0.907 1.00 62.23 H new ATOM 0 HD21 LEU A 90 0.068 0.036 1.735 1.00 71.34 H new ATOM 0 HD22 LEU A 90 -0.817 1.206 0.727 1.00 71.34 H new ATOM 0 HD23 LEU A 90 -0.023 1.744 2.226 1.00 71.34 H new ATOM 1382 N HIS A 91 -4.763 3.702 4.892 1.00 42.35 N ATOM 1383 CA HIS A 91 -5.358 5.011 5.105 1.00 54.41 C ATOM 1384 C HIS A 91 -4.268 6.071 5.171 1.00 51.41 C ATOM 1385 O HIS A 91 -3.640 6.277 6.212 1.00 44.02 O ATOM 1386 CB HIS A 91 -6.196 5.015 6.392 1.00 23.42 C ATOM 1387 CG HIS A 91 -7.008 6.263 6.598 1.00 23.42 C ATOM 1388 ND1 HIS A 91 -7.084 6.921 7.806 1.00 1.22 N ATOM 1389 CD2 HIS A 91 -7.811 6.949 5.752 1.00 35.32 C ATOM 1390 CE1 HIS A 91 -7.896 7.954 7.695 1.00 43.11 C ATOM 1391 NE2 HIS A 91 -8.353 7.997 6.456 1.00 31.53 N ATOM 0 H HIS A 91 -4.569 3.183 5.748 1.00 42.35 H new ATOM 0 HA HIS A 91 -6.018 5.240 4.268 1.00 54.41 H new ATOM 0 HB2 HIS A 91 -6.868 4.157 6.377 1.00 23.42 H new ATOM 0 HB3 HIS A 91 -5.531 4.884 7.245 1.00 23.42 H new ATOM 0 HD1 HIS A 91 -6.588 6.651 8.656 1.00 1.22 H new ATOM 0 HD2 HIS A 91 -7.993 6.715 4.713 1.00 35.32 H new ATOM 0 HE1 HIS A 91 -8.146 8.648 8.484 1.00 43.11 H new ATOM 1400 N ILE A 92 -4.025 6.712 4.043 1.00 43.23 N ATOM 1401 CA ILE A 92 -3.046 7.776 3.973 1.00 74.31 C ATOM 1402 C ILE A 92 -3.621 9.042 4.588 1.00 2.34 C ATOM 1403 O ILE A 92 -4.598 9.603 4.084 1.00 23.34 O ATOM 1404 CB ILE A 92 -2.614 8.058 2.517 1.00 24.20 C ATOM 1405 CG1 ILE A 92 -2.043 6.789 1.873 1.00 33.33 C ATOM 1406 CG2 ILE A 92 -1.593 9.188 2.473 1.00 24.14 C ATOM 1407 CD1 ILE A 92 -1.660 6.958 0.418 1.00 74.41 C ATOM 0 H ILE A 92 -4.495 6.512 3.160 1.00 43.23 H new ATOM 0 HA ILE A 92 -2.165 7.457 4.530 1.00 74.31 H new ATOM 0 HB ILE A 92 -3.492 8.367 1.949 1.00 24.20 H new ATOM 0 HG12 ILE A 92 -1.165 6.472 2.435 1.00 33.33 H new ATOM 0 HG13 ILE A 92 -2.779 5.989 1.954 1.00 33.33 H new ATOM 0 HG21 ILE A 92 -1.300 9.373 1.440 1.00 24.14 H new ATOM 0 HG22 ILE A 92 -2.033 10.092 2.893 1.00 24.14 H new ATOM 0 HG23 ILE A 92 -0.715 8.908 3.055 1.00 24.14 H new ATOM 0 HD11 ILE A 92 -1.265 6.018 0.034 1.00 74.41 H new ATOM 0 HD12 ILE A 92 -2.539 7.244 -0.159 1.00 74.41 H new ATOM 0 HD13 ILE A 92 -0.900 7.734 0.330 1.00 74.41 H new ATOM 1419 N ILE A 93 -3.036 9.465 5.697 1.00 30.25 N ATOM 1420 CA ILE A 93 -3.482 10.660 6.382 1.00 61.44 C ATOM 1421 C ILE A 93 -3.045 11.894 5.611 1.00 43.43 C ATOM 1422 O ILE A 93 -1.852 12.192 5.526 1.00 4.40 O ATOM 1423 CB ILE A 93 -2.927 10.728 7.820 1.00 35.13 C ATOM 1424 CG1 ILE A 93 -3.314 9.475 8.613 1.00 1.23 C ATOM 1425 CG2 ILE A 93 -3.433 11.976 8.528 1.00 1.45 C ATOM 1426 CD1 ILE A 93 -4.807 9.308 8.802 1.00 13.41 C ATOM 0 H ILE A 93 -2.248 8.994 6.141 1.00 30.25 H new ATOM 0 HA ILE A 93 -4.570 10.625 6.437 1.00 61.44 H new ATOM 0 HB ILE A 93 -1.840 10.776 7.762 1.00 35.13 H new ATOM 0 HG12 ILE A 93 -2.922 8.597 8.101 1.00 1.23 H new ATOM 0 HG13 ILE A 93 -2.835 9.514 9.592 1.00 1.23 H new ATOM 0 HG21 ILE A 93 -3.032 12.008 9.541 1.00 1.45 H new ATOM 0 HG22 ILE A 93 -3.108 12.861 7.981 1.00 1.45 H new ATOM 0 HG23 ILE A 93 -4.522 11.954 8.570 1.00 1.45 H new ATOM 0 HD11 ILE A 93 -5.002 8.400 9.372 1.00 13.41 H new ATOM 0 HD12 ILE A 93 -5.204 10.168 9.342 1.00 13.41 H new ATOM 0 HD13 ILE A 93 -5.291 9.236 7.828 1.00 13.41 H new ATOM 1438 N ASP A 94 -4.012 12.583 5.023 1.00 54.11 N ATOM 1439 CA ASP A 94 -3.742 13.807 4.287 1.00 23.43 C ATOM 1440 C ASP A 94 -3.280 14.899 5.238 1.00 11.31 C ATOM 1441 O ASP A 94 -4.087 15.517 5.940 1.00 65.52 O ATOM 1442 CB ASP A 94 -4.982 14.269 3.511 1.00 74.20 C ATOM 1443 CG ASP A 94 -5.354 13.329 2.379 1.00 65.04 C ATOM 1444 OD1 ASP A 94 -6.128 12.380 2.612 1.00 2.11 O ATOM 1445 OD2 ASP A 94 -4.883 13.538 1.242 1.00 74.32 O ATOM 0 H ASP A 94 -4.995 12.312 5.042 1.00 54.11 H new ATOM 0 HA ASP A 94 -2.949 13.603 3.568 1.00 23.43 H new ATOM 0 HB2 ASP A 94 -5.824 14.353 4.198 1.00 74.20 H new ATOM 0 HB3 ASP A 94 -4.801 15.264 3.105 1.00 74.20 H new ATOM 1450 N LEU A 95 -1.973 15.099 5.290 1.00 15.42 N ATOM 1451 CA LEU A 95 -1.383 16.120 6.130 1.00 24.34 C ATOM 1452 C LEU A 95 -1.027 17.336 5.289 1.00 35.53 C ATOM 1453 O LEU A 95 -1.503 17.486 4.164 1.00 25.43 O ATOM 1454 CB LEU A 95 -0.137 15.570 6.831 1.00 72.00 C ATOM 1455 CG LEU A 95 -0.394 14.433 7.826 1.00 64.20 C ATOM 1456 CD1 LEU A 95 0.920 13.897 8.377 1.00 4.42 C ATOM 1457 CD2 LEU A 95 -1.287 14.911 8.962 1.00 15.32 C ATOM 0 H LEU A 95 -1.296 14.558 4.752 1.00 15.42 H new ATOM 0 HA LEU A 95 -2.104 16.418 6.891 1.00 24.34 H new ATOM 0 HB2 LEU A 95 0.560 15.216 6.072 1.00 72.00 H new ATOM 0 HB3 LEU A 95 0.354 16.388 7.358 1.00 72.00 H new ATOM 0 HG LEU A 95 -0.903 13.626 7.299 1.00 64.20 H new ATOM 0 HD11 LEU A 95 0.717 13.091 9.082 1.00 4.42 H new ATOM 0 HD12 LEU A 95 1.531 13.518 7.557 1.00 4.42 H new ATOM 0 HD13 LEU A 95 1.455 14.698 8.887 1.00 4.42 H new ATOM 0 HD21 LEU A 95 -1.459 14.091 9.659 1.00 15.32 H new ATOM 0 HD22 LEU A 95 -0.801 15.735 9.484 1.00 15.32 H new ATOM 0 HD23 LEU A 95 -2.241 15.249 8.557 1.00 15.32 H new ATOM 1469 N ASP A 96 -0.193 18.201 5.833 1.00 53.53 N ATOM 1470 CA ASP A 96 0.207 19.411 5.136 1.00 72.41 C ATOM 1471 C ASP A 96 1.694 19.375 4.798 1.00 64.25 C ATOM 1472 O ASP A 96 2.549 19.470 5.673 1.00 64.22 O ATOM 1473 CB ASP A 96 -0.135 20.661 5.961 1.00 32.23 C ATOM 1474 CG ASP A 96 0.467 20.647 7.356 1.00 32.24 C ATOM 1475 OD1 ASP A 96 -0.113 19.991 8.254 1.00 24.13 O ATOM 1476 OD2 ASP A 96 1.513 21.297 7.569 1.00 30.34 O ATOM 0 H ASP A 96 0.222 18.089 6.758 1.00 53.53 H new ATOM 0 HA ASP A 96 -0.353 19.461 4.202 1.00 72.41 H new ATOM 0 HB2 ASP A 96 0.218 21.545 5.430 1.00 32.23 H new ATOM 0 HB3 ASP A 96 -1.218 20.749 6.042 1.00 32.23 H new ATOM 1481 N PRO A 97 2.018 19.190 3.515 1.00 72.52 N ATOM 1482 CA PRO A 97 3.390 19.226 3.037 1.00 65.44 C ATOM 1483 C PRO A 97 3.833 20.654 2.741 1.00 62.20 C ATOM 1484 O PRO A 97 4.203 21.376 3.691 1.00 37.47 O ATOM 1485 CB PRO A 97 3.346 18.391 1.745 1.00 10.14 C ATOM 1486 CG PRO A 97 1.907 18.016 1.531 1.00 13.31 C ATOM 1487 CD PRO A 97 1.091 18.907 2.423 1.00 73.52 C ATOM 1488 OXT PRO A 97 3.784 21.066 1.564 1.00 37.47 O ATOM 0 HA PRO A 97 4.099 18.842 3.770 1.00 65.44 H new ATOM 0 HB2 PRO A 97 3.728 18.963 0.900 1.00 10.14 H new ATOM 0 HB3 PRO A 97 3.970 17.502 1.836 1.00 10.14 H new ATOM 0 HG2 PRO A 97 1.624 18.149 0.487 1.00 13.31 H new ATOM 0 HG3 PRO A 97 1.740 16.967 1.775 1.00 13.31 H new ATOM 0 HD2 PRO A 97 0.776 19.816 1.911 1.00 73.52 H new ATOM 0 HD3 PRO A 97 0.187 18.411 2.776 1.00 73.52 H new TER 1496 PRO A 97