USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 928 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 8 HIS : no HE2:sc= -0.0239 K(o=-0.024,f=-1) USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.086 (180deg=-0.131) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 4 HIS : no HD1:sc= -0.288 K(o=-0.29,f=-0.83) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 6 HIS :FLIP no HD1:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.745 K(o=-0.75,f=-3.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= 0.559 (180deg=0.167) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.022) USER MOD Single : A 30 SER OG : rot -37:sc= 0.514 USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.03 (180deg=-0.227) USER MOD Single : A 38 THR OG1 : rot -144:sc= -1.04 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 0.0445 (180deg=0.0107) USER MOD Single : A 49 TYR OH : rot 104:sc= 0.283 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.025) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -179:sc= 0 (180deg=-0.00107) USER MOD Single : A 54 ASN : amide:sc= 0.115 K(o=0.11,f=-4.3!) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.127 USER MOD Single : A 63 SER OG : rot 67:sc= 0.511 USER MOD Single : A 66 ASN : amide:sc= 0.201 X(o=0.2,f=-0.044) USER MOD Single : A 73 TYR OH : rot 78:sc= 0.574 USER MOD Single : A 74 TYR OH : rot 109:sc= 0.184 USER MOD Single : A 77 THR OG1 : rot -75:sc= 0.942 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.21 K(o=-1.2,f=-7.1!) USER MOD Single : A 81 LYS NZ :NH3+ -140:sc= -0.187 (180deg=-1.84!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -126:sc= 0.302 USER MOD Single : A 88 LYS NZ :NH3+ -125:sc= 0.648 (180deg=-1.37) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 92 SER OG : rot 170:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= 0.0529 (180deg=-0.275) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= 0.452 K(o=0.45,f=-0.94) USER MOD Single : A 102 SER OG : rot -100:sc= -0.09 USER MOD Single : A 104 ASN : amide:sc= 0.353 X(o=0.35,f=-0.045) USER MOD Single : A 105 LYS NZ :NH3+ -113:sc= -0.134 (180deg=-0.751) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.589 -30.770 19.038 1.00 14.12 N ATOM 2 CA MET A 1 13.012 -30.409 17.652 1.00 65.40 C ATOM 3 C MET A 1 12.037 -29.357 17.057 1.00 52.23 C ATOM 4 O MET A 1 11.321 -28.689 17.812 1.00 54.22 O ATOM 5 CB MET A 1 13.080 -31.684 16.764 1.00 63.52 C ATOM 6 CG MET A 1 14.008 -32.792 17.284 1.00 60.43 C ATOM 7 SD MET A 1 14.050 -34.229 16.184 1.00 1.51 S ATOM 8 CE MET A 1 15.028 -35.405 17.125 1.00 22.22 C ATOM 0 H1 MET A 1 13.428 -30.849 19.647 1.00 14.12 H new ATOM 0 H2 MET A 1 11.958 -30.033 19.412 1.00 14.12 H new ATOM 0 H3 MET A 1 12.086 -31.680 19.021 1.00 14.12 H new ATOM 0 HA MET A 1 14.008 -29.968 17.682 1.00 65.40 H new ATOM 0 HB2 MET A 1 12.074 -32.092 16.663 1.00 63.52 H new ATOM 0 HB3 MET A 1 13.408 -31.395 15.766 1.00 63.52 H new ATOM 0 HG2 MET A 1 15.017 -32.394 17.397 1.00 60.43 H new ATOM 0 HG3 MET A 1 13.676 -33.105 18.274 1.00 60.43 H new ATOM 0 HE1 MET A 1 15.128 -36.331 16.558 1.00 22.22 H new ATOM 0 HE2 MET A 1 16.017 -34.987 17.314 1.00 22.22 H new ATOM 0 HE3 MET A 1 14.534 -35.612 18.074 1.00 22.22 H new ATOM 20 N GLY A 2 12.007 -29.209 15.712 1.00 32.31 N ATOM 21 CA GLY A 2 11.194 -28.165 15.060 1.00 53.41 C ATOM 22 C GLY A 2 11.894 -26.799 15.022 1.00 73.14 C ATOM 23 O GLY A 2 11.246 -25.760 14.874 1.00 52.55 O ATOM 0 H GLY A 2 12.533 -29.796 15.065 1.00 32.31 H new ATOM 0 HA2 GLY A 2 10.961 -28.476 14.042 1.00 53.41 H new ATOM 0 HA3 GLY A 2 10.246 -28.067 15.589 1.00 53.41 H new ATOM 27 N HIS A 3 13.232 -26.823 15.141 1.00 72.33 N ATOM 28 CA HIS A 3 14.092 -25.616 15.143 1.00 33.43 C ATOM 29 C HIS A 3 14.298 -25.051 13.711 1.00 15.42 C ATOM 30 O HIS A 3 14.739 -23.907 13.551 1.00 2.00 O ATOM 31 CB HIS A 3 15.453 -25.987 15.800 1.00 5.31 C ATOM 32 CG HIS A 3 16.435 -24.850 15.948 1.00 71.41 C ATOM 33 ND1 HIS A 3 17.615 -24.774 15.239 1.00 12.14 N ATOM 34 CD2 HIS A 3 16.415 -23.751 16.743 1.00 64.43 C ATOM 35 CE1 HIS A 3 18.274 -23.692 15.589 1.00 54.10 C ATOM 36 NE2 HIS A 3 17.571 -23.052 16.497 1.00 2.13 N ATOM 0 H HIS A 3 13.759 -27.691 15.240 1.00 72.33 H new ATOM 0 HA HIS A 3 13.604 -24.828 15.716 1.00 33.43 H new ATOM 0 HB2 HIS A 3 15.258 -26.406 16.787 1.00 5.31 H new ATOM 0 HB3 HIS A 3 15.921 -26.773 15.207 1.00 5.31 H new ATOM 0 HD2 HIS A 3 15.636 -23.477 17.439 1.00 64.43 H new ATOM 0 HE1 HIS A 3 19.231 -23.381 15.197 1.00 54.10 H new ATOM 0 HE2 HIS A 3 17.841 -22.177 16.946 1.00 2.13 H new ATOM 45 N HIS A 4 13.978 -25.869 12.686 1.00 71.22 N ATOM 46 CA HIS A 4 14.127 -25.505 11.255 1.00 14.15 C ATOM 47 C HIS A 4 13.426 -24.157 10.903 1.00 63.33 C ATOM 48 O HIS A 4 12.196 -24.036 10.958 1.00 43.44 O ATOM 49 CB HIS A 4 13.600 -26.657 10.345 1.00 15.22 C ATOM 50 CG HIS A 4 12.150 -27.041 10.569 1.00 14.22 C ATOM 51 ND1 HIS A 4 11.091 -26.430 9.925 1.00 1.04 N ATOM 52 CD2 HIS A 4 11.590 -27.964 11.391 1.00 34.44 C ATOM 53 CE1 HIS A 4 9.957 -26.954 10.342 1.00 43.12 C ATOM 54 NE2 HIS A 4 10.232 -27.886 11.227 1.00 12.51 N ATOM 0 H HIS A 4 13.606 -26.808 12.826 1.00 71.22 H new ATOM 0 HA HIS A 4 15.191 -25.362 11.069 1.00 14.15 H new ATOM 0 HB2 HIS A 4 13.725 -26.362 9.303 1.00 15.22 H new ATOM 0 HB3 HIS A 4 14.222 -27.538 10.504 1.00 15.22 H new ATOM 0 HD2 HIS A 4 12.117 -28.636 12.052 1.00 34.44 H new ATOM 0 HE1 HIS A 4 8.969 -26.667 10.013 1.00 43.12 H new ATOM 0 HE2 HIS A 4 9.544 -28.460 11.714 1.00 12.51 H new ATOM 63 N HIS A 5 14.237 -23.137 10.572 1.00 4.23 N ATOM 64 CA HIS A 5 13.742 -21.814 10.137 1.00 12.30 C ATOM 65 C HIS A 5 13.390 -21.870 8.624 1.00 14.22 C ATOM 66 O HIS A 5 14.112 -21.342 7.768 1.00 51.04 O ATOM 67 CB HIS A 5 14.812 -20.736 10.459 1.00 52.14 C ATOM 68 CG HIS A 5 14.381 -19.312 10.226 1.00 44.34 C ATOM 69 ND1 HIS A 5 14.576 -18.651 9.032 1.00 14.21 N ATOM 70 CD2 HIS A 5 13.771 -18.424 11.046 1.00 14.14 C ATOM 71 CE1 HIS A 5 14.120 -17.422 9.132 1.00 74.51 C ATOM 72 NE2 HIS A 5 13.623 -17.257 10.341 1.00 0.04 N ATOM 0 H HIS A 5 15.254 -23.204 10.598 1.00 4.23 H new ATOM 0 HA HIS A 5 12.833 -21.544 10.675 1.00 12.30 H new ATOM 0 HB2 HIS A 5 15.109 -20.842 11.502 1.00 52.14 H new ATOM 0 HB3 HIS A 5 15.697 -20.934 9.854 1.00 52.14 H new ATOM 0 HD2 HIS A 5 13.459 -18.601 12.065 1.00 14.14 H new ATOM 0 HE1 HIS A 5 14.148 -16.673 8.354 1.00 74.51 H new ATOM 0 HE2 HIS A 5 13.197 -16.400 10.695 1.00 0.04 H new ATOM 81 N HIS A 6 12.306 -22.605 8.314 1.00 53.50 N ATOM 82 CA HIS A 6 11.828 -22.855 6.936 1.00 53.50 C ATOM 83 C HIS A 6 10.282 -22.820 6.917 1.00 32.33 C ATOM 84 O HIS A 6 9.630 -23.667 7.546 1.00 11.32 O ATOM 85 CB HIS A 6 12.341 -24.230 6.407 1.00 50.23 C ATOM 86 CG HIS A 6 13.844 -24.343 6.282 1.00 22.13 C ATOM 87 ND1 HIS A 6 14.783 -24.793 7.155 1.00 53.25 N flip ATOM 88 CD2 HIS A 6 14.540 -23.961 5.154 1.00 32.30 C flip ATOM 89 CE1 HIS A 6 16.002 -24.670 6.538 1.00 40.22 C flip ATOM 90 NE2 HIS A 6 15.826 -24.168 5.336 1.00 12.33 N flip ATOM 0 H HIS A 6 11.726 -23.051 9.025 1.00 53.50 H new ATOM 0 HA HIS A 6 12.220 -22.077 6.282 1.00 53.50 H new ATOM 0 HB2 HIS A 6 11.986 -25.015 7.075 1.00 50.23 H new ATOM 0 HB3 HIS A 6 11.895 -24.417 5.430 1.00 50.23 H new ATOM 0 HD2 HIS A 6 14.096 -23.554 4.258 1.00 32.30 H new ATOM 0 HE1 HIS A 6 16.954 -24.942 6.970 1.00 40.22 H new ATOM 0 HE2 HIS A 6 16.563 -23.972 4.658 1.00 12.33 H new ATOM 99 N HIS A 7 9.711 -21.838 6.198 1.00 25.22 N ATOM 100 CA HIS A 7 8.255 -21.603 6.159 1.00 35.12 C ATOM 101 C HIS A 7 7.560 -22.565 5.161 1.00 61.05 C ATOM 102 O HIS A 7 7.977 -22.675 4.004 1.00 53.24 O ATOM 103 CB HIS A 7 7.977 -20.127 5.781 1.00 45.43 C ATOM 104 CG HIS A 7 6.532 -19.714 5.907 1.00 23.33 C ATOM 105 ND1 HIS A 7 5.677 -19.603 4.829 1.00 11.30 N ATOM 106 CD2 HIS A 7 5.795 -19.377 6.995 1.00 33.22 C ATOM 107 CE1 HIS A 7 4.489 -19.222 5.245 1.00 54.34 C ATOM 108 NE2 HIS A 7 4.532 -19.080 6.550 1.00 42.23 N ATOM 0 H HIS A 7 10.246 -21.184 5.627 1.00 25.22 H new ATOM 0 HA HIS A 7 7.842 -21.802 7.148 1.00 35.12 H new ATOM 0 HB2 HIS A 7 8.584 -19.481 6.416 1.00 45.43 H new ATOM 0 HB3 HIS A 7 8.302 -19.960 4.754 1.00 45.43 H new ATOM 0 HD2 HIS A 7 6.138 -19.348 8.019 1.00 33.22 H new ATOM 0 HE1 HIS A 7 3.625 -19.054 4.620 1.00 54.34 H new ATOM 0 HE2 HIS A 7 3.750 -18.794 7.139 1.00 42.23 H new ATOM 117 N HIS A 8 6.505 -23.259 5.625 1.00 53.25 N ATOM 118 CA HIS A 8 5.701 -24.169 4.773 1.00 3.51 C ATOM 119 C HIS A 8 4.691 -23.370 3.899 1.00 12.31 C ATOM 120 O HIS A 8 4.289 -22.257 4.255 1.00 74.14 O ATOM 121 CB HIS A 8 4.960 -25.216 5.655 1.00 32.30 C ATOM 122 CG HIS A 8 4.211 -26.266 4.869 1.00 53.23 C ATOM 123 ND1 HIS A 8 2.888 -26.131 4.494 1.00 2.15 N ATOM 124 CD2 HIS A 8 4.619 -27.448 4.352 1.00 21.03 C ATOM 125 CE1 HIS A 8 2.519 -27.175 3.785 1.00 2.32 C ATOM 126 NE2 HIS A 8 3.550 -27.987 3.684 1.00 52.12 N ATOM 0 H HIS A 8 6.184 -23.209 6.592 1.00 53.25 H new ATOM 0 HA HIS A 8 6.378 -24.696 4.100 1.00 3.51 H new ATOM 0 HB2 HIS A 8 5.686 -25.710 6.301 1.00 32.30 H new ATOM 0 HB3 HIS A 8 4.258 -24.695 6.306 1.00 32.30 H new ATOM 0 HD1 HIS A 8 2.288 -25.341 4.731 1.00 2.15 H new ATOM 0 HD2 HIS A 8 5.602 -27.885 4.448 1.00 21.03 H new ATOM 0 HE1 HIS A 8 1.540 -27.338 3.359 1.00 2.32 H new ATOM 135 N SER A 9 4.275 -23.979 2.769 1.00 43.53 N ATOM 136 CA SER A 9 3.325 -23.384 1.797 1.00 31.25 C ATOM 137 C SER A 9 1.895 -23.201 2.369 1.00 62.12 C ATOM 138 O SER A 9 1.549 -23.739 3.431 1.00 61.13 O ATOM 139 CB SER A 9 3.262 -24.280 0.537 1.00 34.23 C ATOM 140 OG SER A 9 2.767 -25.576 0.851 1.00 5.02 O ATOM 0 H SER A 9 4.592 -24.910 2.500 1.00 43.53 H new ATOM 0 HA SER A 9 3.697 -22.389 1.555 1.00 31.25 H new ATOM 0 HB2 SER A 9 2.621 -23.815 -0.212 1.00 34.23 H new ATOM 0 HB3 SER A 9 4.256 -24.364 0.097 1.00 34.23 H new ATOM 0 HG SER A 9 2.736 -26.121 0.037 1.00 5.02 H new ATOM 146 N HIS A 10 1.058 -22.456 1.619 1.00 54.34 N ATOM 147 CA HIS A 10 -0.355 -22.186 1.985 1.00 53.51 C ATOM 148 C HIS A 10 -1.283 -23.348 1.511 1.00 11.35 C ATOM 149 O HIS A 10 -2.340 -23.110 0.908 1.00 43.03 O ATOM 150 CB HIS A 10 -0.820 -20.844 1.345 1.00 41.42 C ATOM 151 CG HIS A 10 0.102 -19.663 1.535 1.00 41.11 C ATOM 152 ND1 HIS A 10 0.195 -18.641 0.611 1.00 0.43 N ATOM 153 CD2 HIS A 10 0.959 -19.332 2.533 1.00 2.00 C ATOM 154 CE1 HIS A 10 1.062 -17.742 1.025 1.00 32.54 C ATOM 155 NE2 HIS A 10 1.540 -18.134 2.189 1.00 71.44 N ATOM 0 H HIS A 10 1.340 -22.022 0.740 1.00 54.34 H new ATOM 0 HA HIS A 10 -0.421 -22.113 3.070 1.00 53.51 H new ATOM 0 HB2 HIS A 10 -0.958 -21.003 0.276 1.00 41.42 H new ATOM 0 HB3 HIS A 10 -1.796 -20.587 1.757 1.00 41.42 H new ATOM 0 HD2 HIS A 10 1.149 -19.903 3.430 1.00 2.00 H new ATOM 0 HE1 HIS A 10 1.335 -16.838 0.501 1.00 32.54 H new ATOM 0 HE2 HIS A 10 2.230 -17.630 2.745 1.00 71.44 H new ATOM 164 N MET A 11 -0.894 -24.603 1.828 1.00 75.13 N ATOM 165 CA MET A 11 -1.555 -25.815 1.284 1.00 64.22 C ATOM 166 C MET A 11 -2.839 -26.188 2.077 1.00 5.10 C ATOM 167 O MET A 11 -2.853 -27.119 2.895 1.00 44.42 O ATOM 168 CB MET A 11 -0.546 -27.003 1.229 1.00 32.11 C ATOM 169 CG MET A 11 -1.030 -28.198 0.389 1.00 33.02 C ATOM 170 SD MET A 11 -1.323 -27.736 -1.338 1.00 13.24 S ATOM 171 CE MET A 11 -1.961 -29.261 -2.040 1.00 52.41 C ATOM 0 H MET A 11 -0.121 -24.806 2.462 1.00 75.13 H new ATOM 0 HA MET A 11 -1.877 -25.592 0.267 1.00 64.22 H new ATOM 0 HB2 MET A 11 0.399 -26.645 0.821 1.00 32.11 H new ATOM 0 HB3 MET A 11 -0.346 -27.344 2.245 1.00 32.11 H new ATOM 0 HG2 MET A 11 -0.288 -28.995 0.431 1.00 33.02 H new ATOM 0 HG3 MET A 11 -1.949 -28.596 0.819 1.00 33.02 H new ATOM 0 HE1 MET A 11 -2.181 -29.111 -3.097 1.00 52.41 H new ATOM 0 HE2 MET A 11 -1.217 -30.050 -1.932 1.00 52.41 H new ATOM 0 HE3 MET A 11 -2.873 -29.549 -1.517 1.00 52.41 H new ATOM 181 N ILE A 12 -3.890 -25.378 1.868 1.00 13.22 N ATOM 182 CA ILE A 12 -5.271 -25.632 2.332 1.00 5.41 C ATOM 183 C ILE A 12 -6.224 -25.510 1.116 1.00 12.10 C ATOM 184 O ILE A 12 -6.311 -24.437 0.500 1.00 23.24 O ATOM 185 CB ILE A 12 -5.683 -24.606 3.465 1.00 0.14 C ATOM 186 CG1 ILE A 12 -4.745 -24.751 4.705 1.00 70.24 C ATOM 187 CG2 ILE A 12 -7.175 -24.744 3.873 1.00 14.44 C ATOM 188 CD1 ILE A 12 -4.863 -26.071 5.468 1.00 62.32 C ATOM 0 H ILE A 12 -3.803 -24.500 1.356 1.00 13.22 H new ATOM 0 HA ILE A 12 -5.336 -26.633 2.758 1.00 5.41 H new ATOM 0 HB ILE A 12 -5.562 -23.604 3.053 1.00 0.14 H new ATOM 0 HG12 ILE A 12 -3.713 -24.634 4.374 1.00 70.24 H new ATOM 0 HG13 ILE A 12 -4.954 -23.933 5.394 1.00 70.24 H new ATOM 0 HG21 ILE A 12 -7.408 -24.019 4.653 1.00 14.44 H new ATOM 0 HG22 ILE A 12 -7.808 -24.559 3.005 1.00 14.44 H new ATOM 0 HG23 ILE A 12 -7.358 -25.751 4.248 1.00 14.44 H new ATOM 0 HD11 ILE A 12 -4.170 -26.068 6.309 1.00 62.32 H new ATOM 0 HD12 ILE A 12 -5.882 -26.188 5.838 1.00 62.32 H new ATOM 0 HD13 ILE A 12 -4.622 -26.899 4.802 1.00 62.32 H new ATOM 200 N LYS A 13 -6.903 -26.617 0.763 1.00 23.22 N ATOM 201 CA LYS A 13 -7.791 -26.699 -0.418 1.00 13.32 C ATOM 202 C LYS A 13 -9.052 -25.808 -0.250 1.00 44.41 C ATOM 203 O LYS A 13 -10.078 -26.240 0.295 1.00 21.31 O ATOM 204 CB LYS A 13 -8.188 -28.181 -0.655 1.00 32.44 C ATOM 205 CG LYS A 13 -9.069 -28.437 -1.901 1.00 43.21 C ATOM 206 CD LYS A 13 -9.560 -29.900 -1.986 1.00 24.11 C ATOM 207 CE LYS A 13 -10.435 -30.310 -0.782 1.00 2.21 C ATOM 208 NZ LYS A 13 -10.822 -31.740 -0.840 1.00 61.44 N ATOM 0 H LYS A 13 -6.852 -27.488 1.292 1.00 23.22 H new ATOM 0 HA LYS A 13 -7.251 -26.323 -1.287 1.00 13.32 H new ATOM 0 HB2 LYS A 13 -7.278 -28.774 -0.746 1.00 32.44 H new ATOM 0 HB3 LYS A 13 -8.718 -28.543 0.226 1.00 32.44 H new ATOM 0 HG2 LYS A 13 -9.930 -27.769 -1.877 1.00 43.21 H new ATOM 0 HG3 LYS A 13 -8.502 -28.194 -2.800 1.00 43.21 H new ATOM 0 HD2 LYS A 13 -10.130 -30.034 -2.905 1.00 24.11 H new ATOM 0 HD3 LYS A 13 -8.698 -30.565 -2.046 1.00 24.11 H new ATOM 0 HE2 LYS A 13 -9.892 -30.118 0.143 1.00 2.21 H new ATOM 0 HE3 LYS A 13 -11.332 -29.692 -0.759 1.00 2.21 H new ATOM 0 HZ1 LYS A 13 -11.409 -31.975 -0.014 1.00 61.44 H new ATOM 0 HZ2 LYS A 13 -11.363 -31.918 -1.710 1.00 61.44 H new ATOM 0 HZ3 LYS A 13 -9.967 -32.332 -0.836 1.00 61.44 H new ATOM 222 N ARG A 14 -8.930 -24.536 -0.673 1.00 10.51 N ATOM 223 CA ARG A 14 -10.045 -23.564 -0.688 1.00 4.43 C ATOM 224 C ARG A 14 -10.071 -22.805 -2.035 1.00 3.33 C ATOM 225 O ARG A 14 -9.128 -22.073 -2.362 1.00 32.13 O ATOM 226 CB ARG A 14 -9.933 -22.539 0.477 1.00 61.23 C ATOM 227 CG ARG A 14 -9.990 -23.137 1.903 1.00 64.25 C ATOM 228 CD ARG A 14 -10.035 -22.049 2.995 1.00 44.43 C ATOM 229 NE ARG A 14 -8.896 -21.113 2.885 1.00 51.32 N ATOM 230 CZ ARG A 14 -8.976 -19.796 2.904 1.00 30.01 C ATOM 231 NH1 ARG A 14 -10.115 -19.184 2.993 1.00 75.51 N ATOM 232 NH2 ARG A 14 -7.900 -19.098 2.806 1.00 63.24 N ATOM 0 H ARG A 14 -8.051 -24.149 -1.016 1.00 10.51 H new ATOM 0 HA ARG A 14 -10.970 -24.127 -0.560 1.00 4.43 H new ATOM 0 HB2 ARG A 14 -8.995 -21.994 0.368 1.00 61.23 H new ATOM 0 HB3 ARG A 14 -10.738 -21.811 0.375 1.00 61.23 H new ATOM 0 HG2 ARG A 14 -10.870 -23.774 1.992 1.00 64.25 H new ATOM 0 HG3 ARG A 14 -9.119 -23.773 2.063 1.00 64.25 H new ATOM 0 HD2 ARG A 14 -10.970 -21.494 2.917 1.00 44.43 H new ATOM 0 HD3 ARG A 14 -10.025 -22.520 3.978 1.00 44.43 H new ATOM 0 HE ARG A 14 -7.967 -21.521 2.786 1.00 51.32 H new ATOM 0 HH11 ARG A 14 -10.980 -19.722 3.051 1.00 75.51 H new ATOM 0 HH12 ARG A 14 -10.147 -18.165 3.006 1.00 75.51 H new ATOM 0 HH21 ARG A 14 -6.997 -19.563 2.715 1.00 63.24 H new ATOM 0 HH22 ARG A 14 -7.950 -18.079 2.820 1.00 63.24 H new ATOM 246 N THR A 15 -11.147 -22.996 -2.813 1.00 4.31 N ATOM 247 CA THR A 15 -11.406 -22.209 -4.045 1.00 32.25 C ATOM 248 C THR A 15 -12.227 -20.928 -3.733 1.00 33.01 C ATOM 249 O THR A 15 -12.630 -20.201 -4.653 1.00 53.20 O ATOM 250 CB THR A 15 -12.136 -23.066 -5.135 1.00 73.43 C ATOM 251 OG1 THR A 15 -13.387 -23.561 -4.615 1.00 53.41 O ATOM 252 CG2 THR A 15 -11.266 -24.246 -5.612 1.00 31.44 C ATOM 0 H THR A 15 -11.863 -23.695 -2.614 1.00 4.31 H new ATOM 0 HA THR A 15 -10.436 -21.911 -4.442 1.00 32.25 H new ATOM 0 HB THR A 15 -12.323 -22.421 -5.993 1.00 73.43 H new ATOM 0 HG1 THR A 15 -13.839 -24.094 -5.302 1.00 53.41 H new ATOM 0 HG21 THR A 15 -11.808 -24.815 -6.367 1.00 31.44 H new ATOM 0 HG22 THR A 15 -10.339 -23.865 -6.041 1.00 31.44 H new ATOM 0 HG23 THR A 15 -11.035 -24.893 -4.766 1.00 31.44 H new ATOM 260 N ASN A 16 -12.488 -20.671 -2.430 1.00 2.13 N ATOM 261 CA ASN A 16 -13.016 -19.371 -1.949 1.00 3.15 C ATOM 262 C ASN A 16 -11.857 -18.350 -1.766 1.00 13.13 C ATOM 263 O ASN A 16 -10.680 -18.739 -1.750 1.00 4.11 O ATOM 264 CB ASN A 16 -13.834 -19.542 -0.640 1.00 54.13 C ATOM 265 CG ASN A 16 -13.071 -20.231 0.494 1.00 74.43 C ATOM 266 OD1 ASN A 16 -12.383 -19.594 1.287 1.00 54.25 O ATOM 267 ND2 ASN A 16 -13.194 -21.544 0.585 1.00 32.51 N ATOM 0 H ASN A 16 -12.340 -21.353 -1.686 1.00 2.13 H new ATOM 0 HA ASN A 16 -13.698 -18.979 -2.704 1.00 3.15 H new ATOM 0 HB2 ASN A 16 -14.160 -18.560 -0.298 1.00 54.13 H new ATOM 0 HB3 ASN A 16 -14.733 -20.118 -0.860 1.00 54.13 H new ATOM 0 HD21 ASN A 16 -12.711 -22.051 1.327 1.00 32.51 H new ATOM 0 HD22 ASN A 16 -13.772 -22.050 -0.086 1.00 32.51 H new ATOM 274 N GLU A 17 -12.218 -17.059 -1.602 1.00 3.14 N ATOM 275 CA GLU A 17 -11.276 -15.912 -1.689 1.00 3.52 C ATOM 276 C GLU A 17 -10.568 -15.877 -3.083 1.00 31.41 C ATOM 277 O GLU A 17 -9.397 -16.266 -3.211 1.00 43.14 O ATOM 278 CB GLU A 17 -10.259 -15.897 -0.497 1.00 23.42 C ATOM 279 CG GLU A 17 -9.301 -14.667 -0.433 1.00 60.41 C ATOM 280 CD GLU A 17 -9.972 -13.300 -0.139 1.00 14.34 C ATOM 281 OE1 GLU A 17 -11.096 -13.260 0.410 1.00 71.30 O ATOM 282 OE2 GLU A 17 -9.336 -12.254 -0.403 1.00 14.44 O ATOM 0 H GLU A 17 -13.178 -16.777 -1.404 1.00 3.14 H new ATOM 0 HA GLU A 17 -11.857 -14.994 -1.599 1.00 3.52 H new ATOM 0 HB2 GLU A 17 -10.821 -15.944 0.436 1.00 23.42 H new ATOM 0 HB3 GLU A 17 -9.654 -16.802 -0.550 1.00 23.42 H new ATOM 0 HG2 GLU A 17 -8.551 -14.855 0.336 1.00 60.41 H new ATOM 0 HG3 GLU A 17 -8.772 -14.593 -1.383 1.00 60.41 H new ATOM 289 N PRO A 18 -11.322 -15.498 -4.178 1.00 60.44 N ATOM 290 CA PRO A 18 -10.737 -15.266 -5.530 1.00 72.32 C ATOM 291 C PRO A 18 -9.683 -14.132 -5.574 1.00 51.30 C ATOM 292 O PRO A 18 -9.520 -13.379 -4.615 1.00 24.55 O ATOM 293 CB PRO A 18 -11.976 -14.894 -6.405 1.00 43.13 C ATOM 294 CG PRO A 18 -13.147 -15.469 -5.670 1.00 2.34 C ATOM 295 CD PRO A 18 -12.802 -15.342 -4.203 1.00 24.14 C ATOM 0 HA PRO A 18 -10.192 -16.145 -5.873 1.00 72.32 H new ATOM 0 HB2 PRO A 18 -12.071 -13.814 -6.518 1.00 43.13 H new ATOM 0 HB3 PRO A 18 -11.893 -15.313 -7.408 1.00 43.13 H new ATOM 0 HG2 PRO A 18 -14.063 -14.928 -5.906 1.00 2.34 H new ATOM 0 HG3 PRO A 18 -13.311 -16.511 -5.946 1.00 2.34 H new ATOM 0 HD2 PRO A 18 -13.111 -14.377 -3.800 1.00 24.14 H new ATOM 0 HD3 PRO A 18 -13.296 -16.109 -3.607 1.00 24.14 H new ATOM 303 N LEU A 19 -8.988 -14.021 -6.717 1.00 23.31 N ATOM 304 CA LEU A 19 -8.061 -12.898 -7.006 1.00 64.50 C ATOM 305 C LEU A 19 -8.834 -11.577 -7.203 1.00 73.21 C ATOM 306 O LEU A 19 -8.338 -10.505 -6.851 1.00 41.11 O ATOM 307 CB LEU A 19 -7.178 -13.246 -8.251 1.00 34.02 C ATOM 308 CG LEU A 19 -5.778 -13.872 -7.945 1.00 64.51 C ATOM 309 CD1 LEU A 19 -4.791 -12.793 -7.473 1.00 51.23 C ATOM 310 CD2 LEU A 19 -5.874 -15.000 -6.898 1.00 61.44 C ATOM 0 H LEU A 19 -9.048 -14.704 -7.472 1.00 23.31 H new ATOM 0 HA LEU A 19 -7.401 -12.754 -6.150 1.00 64.50 H new ATOM 0 HB2 LEU A 19 -7.733 -13.939 -8.883 1.00 34.02 H new ATOM 0 HB3 LEU A 19 -7.028 -12.335 -8.831 1.00 34.02 H new ATOM 0 HG LEU A 19 -5.408 -14.308 -8.873 1.00 64.51 H new ATOM 0 HD11 LEU A 19 -3.824 -13.250 -7.266 1.00 51.23 H new ATOM 0 HD12 LEU A 19 -4.676 -12.039 -8.252 1.00 51.23 H new ATOM 0 HD13 LEU A 19 -5.172 -12.323 -6.566 1.00 51.23 H new ATOM 0 HD21 LEU A 19 -4.881 -15.410 -6.712 1.00 61.44 H new ATOM 0 HD22 LEU A 19 -6.281 -14.601 -5.969 1.00 61.44 H new ATOM 0 HD23 LEU A 19 -6.528 -15.788 -7.271 1.00 61.44 H new ATOM 322 N ASP A 20 -10.051 -11.681 -7.763 1.00 14.14 N ATOM 323 CA ASP A 20 -10.983 -10.543 -7.899 1.00 22.15 C ATOM 324 C ASP A 20 -11.423 -10.009 -6.508 1.00 15.11 C ATOM 325 O ASP A 20 -11.350 -8.798 -6.246 1.00 55.11 O ATOM 326 CB ASP A 20 -12.208 -10.964 -8.748 1.00 22.34 C ATOM 327 CG ASP A 20 -13.189 -9.804 -8.993 1.00 3.15 C ATOM 328 OD1 ASP A 20 -12.867 -8.908 -9.804 1.00 72.14 O ATOM 329 OD2 ASP A 20 -14.264 -9.763 -8.354 1.00 10.41 O ATOM 0 H ASP A 20 -10.419 -12.556 -8.135 1.00 14.14 H new ATOM 0 HA ASP A 20 -10.467 -9.730 -8.410 1.00 22.15 H new ATOM 0 HB2 ASP A 20 -11.864 -11.352 -9.707 1.00 22.34 H new ATOM 0 HB3 ASP A 20 -12.732 -11.777 -8.245 1.00 22.34 H new ATOM 334 N LYS A 21 -11.858 -10.925 -5.624 1.00 0.43 N ATOM 335 CA LYS A 21 -12.270 -10.567 -4.246 1.00 23.23 C ATOM 336 C LYS A 21 -11.064 -10.201 -3.355 1.00 1.41 C ATOM 337 O LYS A 21 -11.232 -9.461 -2.386 1.00 41.35 O ATOM 338 CB LYS A 21 -13.130 -11.674 -3.583 1.00 74.03 C ATOM 339 CG LYS A 21 -14.567 -11.779 -4.146 1.00 55.21 C ATOM 340 CD LYS A 21 -15.489 -12.667 -3.277 1.00 23.22 C ATOM 341 CE LYS A 21 -16.958 -12.607 -3.729 1.00 21.15 C ATOM 342 NZ LYS A 21 -17.845 -13.397 -2.843 1.00 23.53 N ATOM 0 H LYS A 21 -11.935 -11.920 -5.835 1.00 0.43 H new ATOM 0 HA LYS A 21 -12.894 -9.678 -4.339 1.00 23.23 H new ATOM 0 HB2 LYS A 21 -12.630 -12.634 -3.712 1.00 74.03 H new ATOM 0 HB3 LYS A 21 -13.184 -11.484 -2.511 1.00 74.03 H new ATOM 0 HG2 LYS A 21 -14.997 -10.780 -4.220 1.00 55.21 H new ATOM 0 HG3 LYS A 21 -14.527 -12.185 -5.157 1.00 55.21 H new ATOM 0 HD2 LYS A 21 -15.141 -13.699 -3.320 1.00 23.22 H new ATOM 0 HD3 LYS A 21 -15.419 -12.350 -2.237 1.00 23.22 H new ATOM 0 HE2 LYS A 21 -17.291 -11.569 -3.743 1.00 21.15 H new ATOM 0 HE3 LYS A 21 -17.039 -12.981 -4.750 1.00 21.15 H new ATOM 0 HZ1 LYS A 21 -18.825 -13.329 -3.183 1.00 23.53 H new ATOM 0 HZ2 LYS A 21 -17.544 -14.393 -2.849 1.00 23.53 H new ATOM 0 HZ3 LYS A 21 -17.789 -13.024 -1.874 1.00 23.53 H new ATOM 356 N LYS A 22 -9.857 -10.719 -3.681 1.00 52.14 N ATOM 357 CA LYS A 22 -8.610 -10.303 -2.995 1.00 43.14 C ATOM 358 C LYS A 22 -8.309 -8.824 -3.279 1.00 13.10 C ATOM 359 O LYS A 22 -8.113 -8.043 -2.345 1.00 23.23 O ATOM 360 CB LYS A 22 -7.402 -11.197 -3.398 1.00 75.52 C ATOM 361 CG LYS A 22 -6.038 -10.731 -2.817 1.00 23.23 C ATOM 362 CD LYS A 22 -4.938 -11.812 -2.888 1.00 0.45 C ATOM 363 CE LYS A 22 -5.245 -13.014 -1.983 1.00 50.22 C ATOM 364 NZ LYS A 22 -4.145 -14.015 -1.980 1.00 73.54 N ATOM 0 H LYS A 22 -9.720 -11.420 -4.409 1.00 52.14 H new ATOM 0 HA LYS A 22 -8.765 -10.430 -1.924 1.00 43.14 H new ATOM 0 HB2 LYS A 22 -7.594 -12.218 -3.067 1.00 75.52 H new ATOM 0 HB3 LYS A 22 -7.331 -11.222 -4.485 1.00 75.52 H new ATOM 0 HG2 LYS A 22 -5.704 -9.847 -3.360 1.00 23.23 H new ATOM 0 HG3 LYS A 22 -6.177 -10.433 -1.778 1.00 23.23 H new ATOM 0 HD2 LYS A 22 -4.832 -12.153 -3.918 1.00 0.45 H new ATOM 0 HD3 LYS A 22 -3.983 -11.375 -2.597 1.00 0.45 H new ATOM 0 HE2 LYS A 22 -5.418 -12.665 -0.965 1.00 50.22 H new ATOM 0 HE3 LYS A 22 -6.166 -13.491 -2.317 1.00 50.22 H new ATOM 0 HZ1 LYS A 22 -4.253 -14.648 -1.162 1.00 73.54 H new ATOM 0 HZ2 LYS A 22 -4.182 -14.574 -2.857 1.00 73.54 H new ATOM 0 HZ3 LYS A 22 -3.230 -13.525 -1.920 1.00 73.54 H new ATOM 378 N ARG A 23 -8.310 -8.453 -4.578 1.00 2.50 N ATOM 379 CA ARG A 23 -8.172 -7.039 -5.016 1.00 44.24 C ATOM 380 C ARG A 23 -9.178 -6.120 -4.288 1.00 44.43 C ATOM 381 O ARG A 23 -8.779 -5.148 -3.663 1.00 33.01 O ATOM 382 CB ARG A 23 -8.345 -6.906 -6.552 1.00 12.34 C ATOM 383 CG ARG A 23 -7.197 -7.522 -7.368 1.00 64.42 C ATOM 384 CD ARG A 23 -7.414 -7.438 -8.896 1.00 71.42 C ATOM 385 NE ARG A 23 -8.675 -8.071 -9.347 1.00 21.15 N ATOM 386 CZ ARG A 23 -8.844 -8.709 -10.492 1.00 22.00 C ATOM 387 NH1 ARG A 23 -7.842 -8.954 -11.282 1.00 71.23 N ATOM 388 NH2 ARG A 23 -10.024 -9.109 -10.830 1.00 40.44 N ATOM 0 H ARG A 23 -8.405 -9.115 -5.348 1.00 2.50 H new ATOM 0 HA ARG A 23 -7.164 -6.720 -4.752 1.00 44.24 H new ATOM 0 HB2 ARG A 23 -9.281 -7.383 -6.844 1.00 12.34 H new ATOM 0 HB3 ARG A 23 -8.432 -5.850 -6.807 1.00 12.34 H new ATOM 0 HG2 ARG A 23 -6.267 -7.015 -7.112 1.00 64.42 H new ATOM 0 HG3 ARG A 23 -7.079 -8.567 -7.083 1.00 64.42 H new ATOM 0 HD2 ARG A 23 -7.413 -6.391 -9.199 1.00 71.42 H new ATOM 0 HD3 ARG A 23 -6.575 -7.916 -9.401 1.00 71.42 H new ATOM 0 HE ARG A 23 -9.479 -8.009 -8.722 1.00 21.15 H new ATOM 0 HH11 ARG A 23 -6.903 -8.652 -11.023 1.00 71.23 H new ATOM 0 HH12 ARG A 23 -7.995 -9.448 -12.161 1.00 71.23 H new ATOM 0 HH21 ARG A 23 -10.818 -8.932 -10.215 1.00 40.44 H new ATOM 0 HH22 ARG A 23 -10.162 -9.602 -11.712 1.00 40.44 H new ATOM 402 N ALA A 24 -10.471 -6.495 -4.319 1.00 31.34 N ATOM 403 CA ALA A 24 -11.561 -5.719 -3.672 1.00 43.33 C ATOM 404 C ALA A 24 -11.315 -5.531 -2.146 1.00 32.43 C ATOM 405 O ALA A 24 -11.390 -4.412 -1.621 1.00 21.30 O ATOM 406 CB ALA A 24 -12.909 -6.421 -3.919 1.00 32.03 C ATOM 0 H ALA A 24 -10.795 -7.340 -4.790 1.00 31.34 H new ATOM 0 HA ALA A 24 -11.579 -4.725 -4.118 1.00 43.33 H new ATOM 0 HB1 ALA A 24 -13.708 -5.852 -3.444 1.00 32.03 H new ATOM 0 HB2 ALA A 24 -13.096 -6.484 -4.991 1.00 32.03 H new ATOM 0 HB3 ALA A 24 -12.879 -7.425 -3.497 1.00 32.03 H new ATOM 412 N ARG A 25 -10.976 -6.649 -1.475 1.00 23.53 N ATOM 413 CA ARG A 25 -10.724 -6.713 -0.011 1.00 42.32 C ATOM 414 C ARG A 25 -9.481 -5.885 0.416 1.00 1.42 C ATOM 415 O ARG A 25 -9.445 -5.335 1.524 1.00 45.40 O ATOM 416 CB ARG A 25 -10.604 -8.219 0.405 1.00 60.24 C ATOM 417 CG ARG A 25 -10.362 -8.528 1.914 1.00 13.15 C ATOM 418 CD ARG A 25 -8.883 -8.832 2.251 1.00 51.11 C ATOM 419 NE ARG A 25 -8.359 -10.000 1.506 1.00 3.32 N ATOM 420 CZ ARG A 25 -7.212 -10.603 1.749 1.00 14.14 C ATOM 421 NH1 ARG A 25 -6.489 -10.284 2.773 1.00 62.31 N ATOM 422 NH2 ARG A 25 -6.828 -11.568 0.978 1.00 23.23 N ATOM 0 H ARG A 25 -10.866 -7.551 -1.937 1.00 23.53 H new ATOM 0 HA ARG A 25 -11.562 -6.257 0.515 1.00 42.32 H new ATOM 0 HB2 ARG A 25 -11.519 -8.727 0.099 1.00 60.24 H new ATOM 0 HB3 ARG A 25 -9.787 -8.662 -0.165 1.00 60.24 H new ATOM 0 HG2 ARG A 25 -10.695 -7.678 2.509 1.00 13.15 H new ATOM 0 HG3 ARG A 25 -10.976 -9.380 2.205 1.00 13.15 H new ATOM 0 HD2 ARG A 25 -8.275 -7.957 2.023 1.00 51.11 H new ATOM 0 HD3 ARG A 25 -8.788 -9.016 3.321 1.00 51.11 H new ATOM 0 HE ARG A 25 -8.931 -10.367 0.745 1.00 3.32 H new ATOM 0 HH11 ARG A 25 -6.803 -9.553 3.411 1.00 62.31 H new ATOM 0 HH12 ARG A 25 -5.605 -10.763 2.942 1.00 62.31 H new ATOM 0 HH21 ARG A 25 -7.411 -11.855 0.192 1.00 23.23 H new ATOM 0 HH22 ARG A 25 -5.942 -12.042 1.156 1.00 23.23 H new ATOM 436 N LEU A 26 -8.458 -5.804 -0.455 1.00 61.30 N ATOM 437 CA LEU A 26 -7.223 -5.035 -0.163 1.00 4.41 C ATOM 438 C LEU A 26 -7.422 -3.510 -0.391 1.00 52.43 C ATOM 439 O LEU A 26 -6.954 -2.694 0.412 1.00 3.01 O ATOM 440 CB LEU A 26 -6.026 -5.566 -0.984 1.00 33.03 C ATOM 441 CG LEU A 26 -5.626 -7.060 -0.753 1.00 43.34 C ATOM 442 CD1 LEU A 26 -4.377 -7.431 -1.570 1.00 52.42 C ATOM 443 CD2 LEU A 26 -5.437 -7.356 0.744 1.00 21.14 C ATOM 0 H LEU A 26 -8.458 -6.260 -1.368 1.00 61.30 H new ATOM 0 HA LEU A 26 -6.998 -5.179 0.894 1.00 4.41 H new ATOM 0 HB2 LEU A 26 -6.253 -5.434 -2.042 1.00 33.03 H new ATOM 0 HB3 LEU A 26 -5.159 -4.943 -0.764 1.00 33.03 H new ATOM 0 HG LEU A 26 -6.443 -7.688 -1.108 1.00 43.34 H new ATOM 0 HD11 LEU A 26 -4.122 -8.475 -1.390 1.00 52.42 H new ATOM 0 HD12 LEU A 26 -4.579 -7.284 -2.631 1.00 52.42 H new ATOM 0 HD13 LEU A 26 -3.543 -6.797 -1.269 1.00 52.42 H new ATOM 0 HD21 LEU A 26 -5.159 -8.402 0.876 1.00 21.14 H new ATOM 0 HD22 LEU A 26 -4.649 -6.718 1.144 1.00 21.14 H new ATOM 0 HD23 LEU A 26 -6.368 -7.158 1.274 1.00 21.14 H new ATOM 455 N ILE A 27 -8.117 -3.137 -1.491 1.00 64.13 N ATOM 456 CA ILE A 27 -8.565 -1.729 -1.746 1.00 35.10 C ATOM 457 C ILE A 27 -9.513 -1.227 -0.603 1.00 54.15 C ATOM 458 O ILE A 27 -9.576 -0.031 -0.285 1.00 3.33 O ATOM 459 CB ILE A 27 -9.304 -1.612 -3.150 1.00 35.42 C ATOM 460 CG1 ILE A 27 -8.413 -2.180 -4.306 1.00 22.42 C ATOM 461 CG2 ILE A 27 -9.725 -0.150 -3.464 1.00 1.54 C ATOM 462 CD1 ILE A 27 -9.088 -2.338 -5.661 1.00 61.33 C ATOM 0 H ILE A 27 -8.386 -3.790 -2.227 1.00 64.13 H new ATOM 0 HA ILE A 27 -7.675 -1.099 -1.765 1.00 35.10 H new ATOM 0 HB ILE A 27 -10.211 -2.213 -3.081 1.00 35.42 H new ATOM 0 HG12 ILE A 27 -7.551 -1.524 -4.427 1.00 22.42 H new ATOM 0 HG13 ILE A 27 -8.032 -3.154 -3.998 1.00 22.42 H new ATOM 0 HG21 ILE A 27 -10.226 -0.115 -4.431 1.00 1.54 H new ATOM 0 HG22 ILE A 27 -10.405 0.207 -2.690 1.00 1.54 H new ATOM 0 HG23 ILE A 27 -8.840 0.486 -3.491 1.00 1.54 H new ATOM 0 HD11 ILE A 27 -8.373 -2.739 -6.379 1.00 61.33 H new ATOM 0 HD12 ILE A 27 -9.932 -3.022 -5.570 1.00 61.33 H new ATOM 0 HD13 ILE A 27 -9.443 -1.367 -6.006 1.00 61.33 H new ATOM 474 N TYR A 28 -10.229 -2.180 0.011 1.00 54.43 N ATOM 475 CA TYR A 28 -11.134 -1.936 1.154 1.00 43.55 C ATOM 476 C TYR A 28 -10.347 -1.573 2.448 1.00 61.12 C ATOM 477 O TYR A 28 -10.681 -0.604 3.139 1.00 71.33 O ATOM 478 CB TYR A 28 -12.000 -3.208 1.356 1.00 14.24 C ATOM 479 CG TYR A 28 -13.039 -3.142 2.485 1.00 74.44 C ATOM 480 CD1 TYR A 28 -14.332 -2.663 2.252 1.00 24.32 C ATOM 481 CD2 TYR A 28 -12.730 -3.574 3.777 1.00 11.24 C ATOM 482 CE1 TYR A 28 -15.271 -2.620 3.265 1.00 53.44 C ATOM 483 CE2 TYR A 28 -13.664 -3.537 4.784 1.00 4.15 C ATOM 484 CZ TYR A 28 -14.935 -3.057 4.530 1.00 32.22 C ATOM 485 OH TYR A 28 -15.876 -3.035 5.539 1.00 4.22 O ATOM 0 H TYR A 28 -10.198 -3.159 -0.274 1.00 54.43 H new ATOM 0 HA TYR A 28 -11.772 -1.079 0.940 1.00 43.55 H new ATOM 0 HB2 TYR A 28 -12.520 -3.421 0.422 1.00 14.24 H new ATOM 0 HB3 TYR A 28 -11.335 -4.049 1.550 1.00 14.24 H new ATOM 0 HD1 TYR A 28 -14.601 -2.321 1.264 1.00 24.32 H new ATOM 0 HD2 TYR A 28 -11.738 -3.944 3.988 1.00 11.24 H new ATOM 0 HE1 TYR A 28 -16.265 -2.246 3.067 1.00 53.44 H new ATOM 0 HE2 TYR A 28 -13.405 -3.883 5.774 1.00 4.15 H new ATOM 0 HH TYR A 28 -15.477 -3.377 6.366 1.00 4.22 H new ATOM 495 N GLN A 29 -9.304 -2.365 2.770 1.00 75.55 N ATOM 496 CA GLN A 29 -8.473 -2.149 3.991 1.00 3.11 C ATOM 497 C GLN A 29 -7.494 -0.959 3.829 1.00 65.42 C ATOM 498 O GLN A 29 -7.060 -0.371 4.823 1.00 75.42 O ATOM 499 CB GLN A 29 -7.657 -3.417 4.333 1.00 34.20 C ATOM 500 CG GLN A 29 -8.476 -4.697 4.569 1.00 3.40 C ATOM 501 CD GLN A 29 -7.572 -5.914 4.800 1.00 11.54 C ATOM 502 OE1 GLN A 29 -7.260 -6.270 5.930 1.00 1.04 O ATOM 503 NE2 GLN A 29 -7.092 -6.520 3.729 1.00 44.54 N ATOM 0 H GLN A 29 -9.010 -3.163 2.206 1.00 75.55 H new ATOM 0 HA GLN A 29 -9.168 -1.922 4.799 1.00 3.11 H new ATOM 0 HB2 GLN A 29 -6.953 -3.603 3.522 1.00 34.20 H new ATOM 0 HB3 GLN A 29 -7.067 -3.216 5.227 1.00 34.20 H new ATOM 0 HG2 GLN A 29 -9.127 -4.558 5.432 1.00 3.40 H new ATOM 0 HG3 GLN A 29 -9.121 -4.880 3.709 1.00 3.40 H new ATOM 0 HE21 GLN A 29 -7.367 -6.205 2.799 1.00 44.54 H new ATOM 0 HE22 GLN A 29 -6.446 -7.303 3.832 1.00 44.54 H new ATOM 512 N SER A 30 -7.147 -0.626 2.575 1.00 44.42 N ATOM 513 CA SER A 30 -6.192 0.467 2.266 1.00 52.12 C ATOM 514 C SER A 30 -6.773 1.846 2.603 1.00 13.13 C ATOM 515 O SER A 30 -6.048 2.752 3.023 1.00 12.14 O ATOM 516 CB SER A 30 -5.800 0.435 0.778 1.00 34.13 C ATOM 517 OG SER A 30 -6.892 0.732 -0.072 1.00 54.22 O ATOM 0 H SER A 30 -7.513 -1.098 1.749 1.00 44.42 H new ATOM 0 HA SER A 30 -5.310 0.304 2.885 1.00 52.12 H new ATOM 0 HB2 SER A 30 -4.999 1.152 0.600 1.00 34.13 H new ATOM 0 HB3 SER A 30 -5.407 -0.551 0.529 1.00 34.13 H new ATOM 0 HG SER A 30 -7.711 0.342 0.299 1.00 54.22 H new ATOM 523 N ARG A 31 -8.088 1.992 2.379 1.00 44.54 N ATOM 524 CA ARG A 31 -8.826 3.223 2.702 1.00 73.11 C ATOM 525 C ARG A 31 -9.287 3.263 4.189 1.00 65.45 C ATOM 526 O ARG A 31 -9.910 4.238 4.617 1.00 5.13 O ATOM 527 CB ARG A 31 -10.017 3.394 1.722 1.00 44.44 C ATOM 528 CG ARG A 31 -11.109 2.310 1.822 1.00 3.33 C ATOM 529 CD ARG A 31 -12.243 2.510 0.792 1.00 44.22 C ATOM 530 NE ARG A 31 -12.860 3.851 0.894 1.00 5.02 N ATOM 531 CZ ARG A 31 -14.025 4.202 0.393 1.00 21.14 C ATOM 532 NH1 ARG A 31 -14.787 3.345 -0.212 1.00 23.21 N ATOM 533 NH2 ARG A 31 -14.422 5.424 0.521 1.00 44.32 N ATOM 0 H ARG A 31 -8.669 1.261 1.969 1.00 44.54 H new ATOM 0 HA ARG A 31 -8.149 4.068 2.577 1.00 73.11 H new ATOM 0 HB2 ARG A 31 -10.476 4.367 1.899 1.00 44.44 H new ATOM 0 HB3 ARG A 31 -9.630 3.405 0.703 1.00 44.44 H new ATOM 0 HG2 ARG A 31 -10.657 1.330 1.673 1.00 3.33 H new ATOM 0 HG3 ARG A 31 -11.531 2.317 2.827 1.00 3.33 H new ATOM 0 HD2 ARG A 31 -11.847 2.370 -0.214 1.00 44.22 H new ATOM 0 HD3 ARG A 31 -13.007 1.748 0.943 1.00 44.22 H new ATOM 0 HE ARG A 31 -12.336 4.567 1.397 1.00 5.02 H new ATOM 0 HH11 ARG A 31 -14.487 2.375 -0.308 1.00 23.21 H new ATOM 0 HH12 ARG A 31 -15.686 3.641 -0.592 1.00 23.21 H new ATOM 0 HH21 ARG A 31 -13.835 6.103 1.005 1.00 44.32 H new ATOM 0 HH22 ARG A 31 -15.323 5.710 0.138 1.00 44.32 H new ATOM 547 N LYS A 32 -8.994 2.197 4.973 1.00 71.51 N ATOM 548 CA LYS A 32 -9.101 2.259 6.452 1.00 62.22 C ATOM 549 C LYS A 32 -7.802 2.883 7.009 1.00 63.43 C ATOM 550 O LYS A 32 -6.743 2.248 6.965 1.00 12.30 O ATOM 551 CB LYS A 32 -9.296 0.842 7.054 1.00 44.33 C ATOM 552 CG LYS A 32 -10.640 0.171 6.717 1.00 33.04 C ATOM 553 CD LYS A 32 -10.817 -1.159 7.475 1.00 10.42 C ATOM 554 CE LYS A 32 -12.227 -1.739 7.334 1.00 42.22 C ATOM 555 NZ LYS A 32 -13.270 -0.850 7.913 1.00 50.22 N ATOM 0 H LYS A 32 -8.685 1.294 4.612 1.00 71.51 H new ATOM 0 HA LYS A 32 -9.966 2.864 6.724 1.00 62.22 H new ATOM 0 HB2 LYS A 32 -8.488 0.200 6.702 1.00 44.33 H new ATOM 0 HB3 LYS A 32 -9.202 0.908 8.138 1.00 44.33 H new ATOM 0 HG2 LYS A 32 -11.458 0.846 6.970 1.00 33.04 H new ATOM 0 HG3 LYS A 32 -10.697 -0.011 5.644 1.00 33.04 H new ATOM 0 HD2 LYS A 32 -10.092 -1.883 7.103 1.00 10.42 H new ATOM 0 HD3 LYS A 32 -10.598 -1.002 8.531 1.00 10.42 H new ATOM 0 HE2 LYS A 32 -12.443 -1.908 6.279 1.00 42.22 H new ATOM 0 HE3 LYS A 32 -12.268 -2.710 7.827 1.00 42.22 H new ATOM 0 HZ1 LYS A 32 -14.166 -1.372 7.993 1.00 50.22 H new ATOM 0 HZ2 LYS A 32 -12.970 -0.531 8.856 1.00 50.22 H new ATOM 0 HZ3 LYS A 32 -13.405 -0.025 7.295 1.00 50.22 H new ATOM 569 N ARG A 33 -7.890 4.115 7.550 1.00 44.34 N ATOM 570 CA ARG A 33 -6.698 4.924 7.945 1.00 21.40 C ATOM 571 C ARG A 33 -7.015 5.876 9.117 1.00 41.22 C ATOM 572 O ARG A 33 -8.163 6.310 9.287 1.00 74.43 O ATOM 573 CB ARG A 33 -6.155 5.759 6.727 1.00 22.41 C ATOM 574 CG ARG A 33 -5.655 4.934 5.500 1.00 33.42 C ATOM 575 CD ARG A 33 -4.254 4.283 5.671 1.00 11.01 C ATOM 576 NE ARG A 33 -4.004 3.718 7.014 1.00 13.13 N ATOM 577 CZ ARG A 33 -3.562 2.510 7.296 1.00 52.21 C ATOM 578 NH1 ARG A 33 -3.430 1.597 6.387 1.00 0.23 N ATOM 579 NH2 ARG A 33 -3.274 2.230 8.522 1.00 33.04 N ATOM 0 H ARG A 33 -8.779 4.583 7.728 1.00 44.34 H new ATOM 0 HA ARG A 33 -5.932 4.219 8.269 1.00 21.40 H new ATOM 0 HB2 ARG A 33 -6.946 6.430 6.391 1.00 22.41 H new ATOM 0 HB3 ARG A 33 -5.334 6.384 7.078 1.00 22.41 H new ATOM 0 HG2 ARG A 33 -6.381 4.148 5.290 1.00 33.42 H new ATOM 0 HG3 ARG A 33 -5.631 5.587 4.628 1.00 33.42 H new ATOM 0 HD2 ARG A 33 -4.142 3.491 4.930 1.00 11.01 H new ATOM 0 HD3 ARG A 33 -3.490 5.031 5.457 1.00 11.01 H new ATOM 0 HE ARG A 33 -4.194 4.330 7.808 1.00 13.13 H new ATOM 0 HH11 ARG A 33 -3.671 1.804 5.418 1.00 0.23 H new ATOM 0 HH12 ARG A 33 -3.085 0.671 6.640 1.00 0.23 H new ATOM 0 HH21 ARG A 33 -3.390 2.937 9.248 1.00 33.04 H new ATOM 0 HH22 ARG A 33 -2.930 1.301 8.766 1.00 33.04 H new ATOM 593 N GLY A 34 -5.972 6.210 9.908 1.00 54.31 N ATOM 594 CA GLY A 34 -6.073 7.247 10.948 1.00 34.33 C ATOM 595 C GLY A 34 -5.995 8.677 10.380 1.00 42.43 C ATOM 596 O GLY A 34 -6.511 9.627 10.988 1.00 64.03 O ATOM 0 H GLY A 34 -5.052 5.774 9.843 1.00 54.31 H new ATOM 0 HA2 GLY A 34 -7.014 7.126 11.484 1.00 34.33 H new ATOM 0 HA3 GLY A 34 -5.272 7.106 11.674 1.00 34.33 H new ATOM 600 N ILE A 35 -5.339 8.822 9.204 1.00 5.41 N ATOM 601 CA ILE A 35 -5.157 10.127 8.511 1.00 53.50 C ATOM 602 C ILE A 35 -5.581 10.058 7.024 1.00 21.41 C ATOM 603 O ILE A 35 -5.522 8.994 6.393 1.00 22.01 O ATOM 604 CB ILE A 35 -3.660 10.620 8.586 1.00 51.45 C ATOM 605 CG1 ILE A 35 -2.686 9.548 7.991 1.00 54.44 C ATOM 606 CG2 ILE A 35 -3.273 10.988 10.032 1.00 30.44 C ATOM 607 CD1 ILE A 35 -1.224 9.960 7.944 1.00 61.25 C ATOM 0 H ILE A 35 -4.919 8.038 8.705 1.00 5.41 H new ATOM 0 HA ILE A 35 -5.800 10.836 9.032 1.00 53.50 H new ATOM 0 HB ILE A 35 -3.570 11.521 7.979 1.00 51.45 H new ATOM 0 HG12 ILE A 35 -2.771 8.635 8.581 1.00 54.44 H new ATOM 0 HG13 ILE A 35 -3.012 9.306 6.979 1.00 54.44 H new ATOM 0 HG21 ILE A 35 -2.237 11.325 10.057 1.00 30.44 H new ATOM 0 HG22 ILE A 35 -3.923 11.786 10.391 1.00 30.44 H new ATOM 0 HG23 ILE A 35 -3.386 10.113 10.673 1.00 30.44 H new ATOM 0 HD11 ILE A 35 -0.632 9.151 7.516 1.00 61.25 H new ATOM 0 HD12 ILE A 35 -1.117 10.853 7.328 1.00 61.25 H new ATOM 0 HD13 ILE A 35 -0.873 10.172 8.954 1.00 61.25 H new ATOM 619 N LEU A 36 -5.988 11.221 6.478 1.00 4.34 N ATOM 620 CA LEU A 36 -6.344 11.369 5.049 1.00 63.13 C ATOM 621 C LEU A 36 -5.090 11.317 4.136 1.00 2.11 C ATOM 622 O LEU A 36 -5.191 10.912 2.981 1.00 53.32 O ATOM 623 CB LEU A 36 -7.134 12.689 4.809 1.00 61.03 C ATOM 624 CG LEU A 36 -7.703 12.900 3.366 1.00 10.22 C ATOM 625 CD1 LEU A 36 -8.734 11.811 2.996 1.00 52.42 C ATOM 626 CD2 LEU A 36 -8.286 14.318 3.189 1.00 70.54 C ATOM 0 H LEU A 36 -6.080 12.085 7.013 1.00 4.34 H new ATOM 0 HA LEU A 36 -6.983 10.526 4.786 1.00 63.13 H new ATOM 0 HB2 LEU A 36 -7.965 12.724 5.514 1.00 61.03 H new ATOM 0 HB3 LEU A 36 -6.480 13.528 5.046 1.00 61.03 H new ATOM 0 HG LEU A 36 -6.869 12.803 2.671 1.00 10.22 H new ATOM 0 HD11 LEU A 36 -9.107 11.991 1.988 1.00 52.42 H new ATOM 0 HD12 LEU A 36 -8.259 10.831 3.038 1.00 52.42 H new ATOM 0 HD13 LEU A 36 -9.565 11.842 3.701 1.00 52.42 H new ATOM 0 HD21 LEU A 36 -8.672 14.429 2.176 1.00 70.54 H new ATOM 0 HD22 LEU A 36 -9.095 14.471 3.904 1.00 70.54 H new ATOM 0 HD23 LEU A 36 -7.504 15.057 3.362 1.00 70.54 H new ATOM 638 N GLU A 37 -3.914 11.714 4.664 1.00 13.30 N ATOM 639 CA GLU A 37 -2.639 11.721 3.888 1.00 63.15 C ATOM 640 C GLU A 37 -2.296 10.324 3.300 1.00 62.41 C ATOM 641 O GLU A 37 -2.046 10.180 2.090 1.00 62.31 O ATOM 642 CB GLU A 37 -1.453 12.249 4.757 1.00 42.30 C ATOM 643 CG GLU A 37 -1.510 13.753 5.089 1.00 35.13 C ATOM 644 CD GLU A 37 -1.613 14.652 3.837 1.00 2.42 C ATOM 645 OE1 GLU A 37 -0.607 14.798 3.109 1.00 2.01 O ATOM 646 OE2 GLU A 37 -2.702 15.207 3.574 1.00 53.10 O ATOM 0 H GLU A 37 -3.812 12.036 5.626 1.00 13.30 H new ATOM 0 HA GLU A 37 -2.790 12.401 3.049 1.00 63.15 H new ATOM 0 HB2 GLU A 37 -1.427 11.687 5.690 1.00 42.30 H new ATOM 0 HB3 GLU A 37 -0.519 12.042 4.235 1.00 42.30 H new ATOM 0 HG2 GLU A 37 -2.367 13.943 5.736 1.00 35.13 H new ATOM 0 HG3 GLU A 37 -0.618 14.028 5.653 1.00 35.13 H new ATOM 653 N THR A 38 -2.287 9.304 4.168 1.00 4.14 N ATOM 654 CA THR A 38 -2.037 7.902 3.760 1.00 11.02 C ATOM 655 C THR A 38 -3.254 7.287 3.034 1.00 33.33 C ATOM 656 O THR A 38 -3.096 6.349 2.258 1.00 2.30 O ATOM 657 CB THR A 38 -1.625 7.005 4.959 1.00 20.14 C ATOM 658 OG1 THR A 38 -0.699 7.719 5.776 1.00 62.25 O ATOM 659 CG2 THR A 38 -0.975 5.678 4.500 1.00 41.31 C ATOM 0 H THR A 38 -2.451 9.419 5.168 1.00 4.14 H new ATOM 0 HA THR A 38 -1.201 7.937 3.062 1.00 11.02 H new ATOM 0 HB THR A 38 -2.528 6.757 5.516 1.00 20.14 H new ATOM 0 HG1 THR A 38 -0.036 7.096 6.140 1.00 62.25 H new ATOM 0 HG21 THR A 38 -0.704 5.085 5.373 1.00 41.31 H new ATOM 0 HG22 THR A 38 -1.682 5.119 3.887 1.00 41.31 H new ATOM 0 HG23 THR A 38 -0.080 5.894 3.916 1.00 41.31 H new ATOM 667 N ASP A 39 -4.476 7.770 3.342 1.00 72.31 N ATOM 668 CA ASP A 39 -5.707 7.365 2.611 1.00 4.32 C ATOM 669 C ASP A 39 -5.606 7.704 1.096 1.00 1.41 C ATOM 670 O ASP A 39 -5.824 6.846 0.249 1.00 54.32 O ATOM 671 CB ASP A 39 -6.953 8.038 3.242 1.00 42.52 C ATOM 672 CG ASP A 39 -8.262 7.700 2.504 1.00 22.11 C ATOM 673 OD1 ASP A 39 -8.821 6.608 2.731 1.00 53.53 O ATOM 674 OD2 ASP A 39 -8.738 8.525 1.691 1.00 54.51 O ATOM 0 H ASP A 39 -4.642 8.442 4.092 1.00 72.31 H new ATOM 0 HA ASP A 39 -5.811 6.284 2.699 1.00 4.32 H new ATOM 0 HB2 ASP A 39 -7.039 7.726 4.283 1.00 42.52 H new ATOM 0 HB3 ASP A 39 -6.813 9.119 3.244 1.00 42.52 H new ATOM 679 N LEU A 40 -5.253 8.966 0.782 1.00 62.21 N ATOM 680 CA LEU A 40 -5.055 9.445 -0.614 1.00 20.11 C ATOM 681 C LEU A 40 -3.910 8.673 -1.325 1.00 13.24 C ATOM 682 O LEU A 40 -3.892 8.542 -2.554 1.00 64.43 O ATOM 683 CB LEU A 40 -4.747 10.972 -0.612 1.00 10.02 C ATOM 684 CG LEU A 40 -5.841 11.899 0.005 1.00 2.42 C ATOM 685 CD1 LEU A 40 -5.395 13.378 0.006 1.00 43.14 C ATOM 686 CD2 LEU A 40 -7.204 11.716 -0.701 1.00 4.41 C ATOM 0 H LEU A 40 -5.095 9.688 1.485 1.00 62.21 H new ATOM 0 HA LEU A 40 -5.976 9.259 -1.166 1.00 20.11 H new ATOM 0 HB2 LEU A 40 -3.816 11.132 -0.068 1.00 10.02 H new ATOM 0 HB3 LEU A 40 -4.573 11.287 -1.641 1.00 10.02 H new ATOM 0 HG LEU A 40 -5.973 11.600 1.045 1.00 2.42 H new ATOM 0 HD11 LEU A 40 -6.181 13.995 0.442 1.00 43.14 H new ATOM 0 HD12 LEU A 40 -4.483 13.483 0.594 1.00 43.14 H new ATOM 0 HD13 LEU A 40 -5.206 13.702 -1.018 1.00 43.14 H new ATOM 0 HD21 LEU A 40 -7.941 12.377 -0.245 1.00 4.41 H new ATOM 0 HD22 LEU A 40 -7.102 11.960 -1.758 1.00 4.41 H new ATOM 0 HD23 LEU A 40 -7.531 10.681 -0.598 1.00 4.41 H new ATOM 698 N LEU A 41 -2.943 8.205 -0.524 1.00 31.23 N ATOM 699 CA LEU A 41 -1.816 7.374 -0.993 1.00 13.34 C ATOM 700 C LEU A 41 -2.275 5.928 -1.355 1.00 12.34 C ATOM 701 O LEU A 41 -2.174 5.512 -2.502 1.00 45.11 O ATOM 702 CB LEU A 41 -0.730 7.348 0.119 1.00 13.45 C ATOM 703 CG LEU A 41 0.522 6.447 -0.125 1.00 21.25 C ATOM 704 CD1 LEU A 41 1.367 6.938 -1.326 1.00 30.05 C ATOM 705 CD2 LEU A 41 1.368 6.334 1.165 1.00 62.10 C ATOM 0 H LEU A 41 -2.917 8.392 0.478 1.00 31.23 H new ATOM 0 HA LEU A 41 -1.407 7.808 -1.905 1.00 13.34 H new ATOM 0 HB2 LEU A 41 -0.385 8.370 0.278 1.00 13.45 H new ATOM 0 HB3 LEU A 41 -1.204 7.024 1.046 1.00 13.45 H new ATOM 0 HG LEU A 41 0.168 5.449 -0.386 1.00 21.25 H new ATOM 0 HD11 LEU A 41 2.227 6.282 -1.458 1.00 30.05 H new ATOM 0 HD12 LEU A 41 0.758 6.924 -2.230 1.00 30.05 H new ATOM 0 HD13 LEU A 41 1.712 7.954 -1.137 1.00 30.05 H new ATOM 0 HD21 LEU A 41 2.236 5.703 0.977 1.00 62.10 H new ATOM 0 HD22 LEU A 41 1.700 7.326 1.470 1.00 62.10 H new ATOM 0 HD23 LEU A 41 0.764 5.893 1.959 1.00 62.10 H new ATOM 717 N LEU A 42 -2.819 5.200 -0.370 1.00 45.21 N ATOM 718 CA LEU A 42 -3.144 3.757 -0.493 1.00 12.21 C ATOM 719 C LEU A 42 -4.418 3.474 -1.322 1.00 74.23 C ATOM 720 O LEU A 42 -4.449 2.500 -2.059 1.00 54.23 O ATOM 721 CB LEU A 42 -3.254 3.104 0.909 1.00 74.43 C ATOM 722 CG LEU A 42 -1.918 2.943 1.697 1.00 44.33 C ATOM 723 CD1 LEU A 42 -2.161 2.297 3.079 1.00 2.20 C ATOM 724 CD2 LEU A 42 -0.878 2.142 0.874 1.00 74.23 C ATOM 0 H LEU A 42 -3.050 5.591 0.543 1.00 45.21 H new ATOM 0 HA LEU A 42 -2.318 3.307 -1.044 1.00 12.21 H new ATOM 0 HB2 LEU A 42 -3.939 3.700 1.512 1.00 74.43 H new ATOM 0 HB3 LEU A 42 -3.706 2.119 0.794 1.00 74.43 H new ATOM 0 HG LEU A 42 -1.508 3.938 1.867 1.00 44.33 H new ATOM 0 HD11 LEU A 42 -1.212 2.197 3.606 1.00 2.20 H new ATOM 0 HD12 LEU A 42 -2.835 2.926 3.661 1.00 2.20 H new ATOM 0 HD13 LEU A 42 -2.608 1.312 2.947 1.00 2.20 H new ATOM 0 HD21 LEU A 42 0.044 2.045 1.448 1.00 74.23 H new ATOM 0 HD22 LEU A 42 -1.274 1.151 0.653 1.00 74.23 H new ATOM 0 HD23 LEU A 42 -0.671 2.666 -0.059 1.00 74.23 H new ATOM 736 N SER A 43 -5.472 4.301 -1.174 1.00 14.31 N ATOM 737 CA SER A 43 -6.744 4.136 -1.948 1.00 33.32 C ATOM 738 C SER A 43 -6.508 4.313 -3.471 1.00 25.51 C ATOM 739 O SER A 43 -6.998 3.519 -4.283 1.00 64.43 O ATOM 740 CB SER A 43 -7.830 5.131 -1.461 1.00 62.22 C ATOM 741 OG SER A 43 -9.040 5.012 -2.207 1.00 22.31 O ATOM 0 H SER A 43 -5.479 5.092 -0.530 1.00 14.31 H new ATOM 0 HA SER A 43 -7.097 3.120 -1.771 1.00 33.32 H new ATOM 0 HB2 SER A 43 -8.036 4.954 -0.406 1.00 62.22 H new ATOM 0 HB3 SER A 43 -7.452 6.150 -1.545 1.00 62.22 H new ATOM 0 HG SER A 43 -9.698 5.654 -1.868 1.00 22.31 H new ATOM 747 N GLY A 44 -5.738 5.356 -3.835 1.00 71.21 N ATOM 748 CA GLY A 44 -5.360 5.608 -5.240 1.00 44.42 C ATOM 749 C GLY A 44 -4.384 4.560 -5.806 1.00 14.53 C ATOM 750 O GLY A 44 -4.522 4.121 -6.954 1.00 45.42 O ATOM 0 H GLY A 44 -5.365 6.039 -3.175 1.00 71.21 H new ATOM 0 HA2 GLY A 44 -6.261 5.624 -5.854 1.00 44.42 H new ATOM 0 HA3 GLY A 44 -4.905 6.596 -5.315 1.00 44.42 H new ATOM 754 N PHE A 45 -3.377 4.180 -4.982 1.00 61.44 N ATOM 755 CA PHE A 45 -2.401 3.103 -5.309 1.00 21.32 C ATOM 756 C PHE A 45 -3.128 1.775 -5.574 1.00 23.45 C ATOM 757 O PHE A 45 -2.768 1.015 -6.470 1.00 11.24 O ATOM 758 CB PHE A 45 -1.387 2.928 -4.141 1.00 14.01 C ATOM 759 CG PHE A 45 -0.362 1.801 -4.323 1.00 64.43 C ATOM 760 CD1 PHE A 45 0.791 1.998 -5.073 1.00 70.44 C ATOM 761 CD2 PHE A 45 -0.554 0.543 -3.743 1.00 42.24 C ATOM 762 CE1 PHE A 45 1.711 0.982 -5.239 1.00 54.31 C ATOM 763 CE2 PHE A 45 0.372 -0.472 -3.914 1.00 24.14 C ATOM 764 CZ PHE A 45 1.503 -0.252 -4.662 1.00 53.22 C ATOM 0 H PHE A 45 -3.216 4.610 -4.071 1.00 61.44 H new ATOM 0 HA PHE A 45 -1.861 3.390 -6.212 1.00 21.32 H new ATOM 0 HB2 PHE A 45 -0.850 3.867 -4.005 1.00 14.01 H new ATOM 0 HB3 PHE A 45 -1.945 2.744 -3.223 1.00 14.01 H new ATOM 0 HD1 PHE A 45 0.970 2.959 -5.532 1.00 70.44 H new ATOM 0 HD2 PHE A 45 -1.439 0.360 -3.152 1.00 42.24 H new ATOM 0 HE1 PHE A 45 2.601 1.156 -5.826 1.00 54.31 H new ATOM 0 HE2 PHE A 45 0.205 -1.437 -3.459 1.00 24.14 H new ATOM 0 HZ PHE A 45 2.226 -1.043 -4.797 1.00 53.22 H new ATOM 774 N ALA A 46 -4.156 1.524 -4.769 1.00 33.40 N ATOM 775 CA ALA A 46 -4.971 0.316 -4.861 1.00 3.21 C ATOM 776 C ALA A 46 -5.853 0.307 -6.131 1.00 2.14 C ATOM 777 O ALA A 46 -6.045 -0.739 -6.765 1.00 61.11 O ATOM 778 CB ALA A 46 -5.799 0.159 -3.585 1.00 23.22 C ATOM 0 H ALA A 46 -4.450 2.159 -4.027 1.00 33.40 H new ATOM 0 HA ALA A 46 -4.308 -0.545 -4.952 1.00 3.21 H new ATOM 0 HB1 ALA A 46 -6.407 -0.743 -3.655 1.00 23.22 H new ATOM 0 HB2 ALA A 46 -5.133 0.082 -2.726 1.00 23.22 H new ATOM 0 HB3 ALA A 46 -6.448 1.026 -3.464 1.00 23.22 H new ATOM 784 N ALA A 47 -6.362 1.490 -6.501 1.00 51.05 N ATOM 785 CA ALA A 47 -7.180 1.674 -7.718 1.00 13.10 C ATOM 786 C ALA A 47 -6.343 1.592 -9.026 1.00 1.03 C ATOM 787 O ALA A 47 -6.887 1.298 -10.096 1.00 75.24 O ATOM 788 CB ALA A 47 -7.928 3.012 -7.640 1.00 3.30 C ATOM 0 H ALA A 47 -6.221 2.349 -5.969 1.00 51.05 H new ATOM 0 HA ALA A 47 -7.895 0.852 -7.757 1.00 13.10 H new ATOM 0 HB1 ALA A 47 -8.530 3.145 -8.539 1.00 3.30 H new ATOM 0 HB2 ALA A 47 -8.577 3.015 -6.764 1.00 3.30 H new ATOM 0 HB3 ALA A 47 -7.209 3.827 -7.562 1.00 3.30 H new ATOM 794 N LYS A 48 -5.035 1.889 -8.945 1.00 21.25 N ATOM 795 CA LYS A 48 -4.128 1.833 -10.121 1.00 52.21 C ATOM 796 C LYS A 48 -3.411 0.453 -10.265 1.00 50.13 C ATOM 797 O LYS A 48 -3.518 -0.216 -11.303 1.00 62.54 O ATOM 798 CB LYS A 48 -3.088 2.981 -10.025 1.00 21.13 C ATOM 799 CG LYS A 48 -2.162 3.119 -11.264 1.00 31.43 C ATOM 800 CD LYS A 48 -1.115 4.248 -11.110 1.00 40.51 C ATOM 801 CE LYS A 48 -1.736 5.651 -11.013 1.00 33.43 C ATOM 802 NZ LYS A 48 -0.698 6.701 -10.857 1.00 23.10 N ATOM 0 H LYS A 48 -4.575 2.171 -8.080 1.00 21.25 H new ATOM 0 HA LYS A 48 -4.738 1.958 -11.016 1.00 52.21 H new ATOM 0 HB2 LYS A 48 -3.618 3.922 -9.877 1.00 21.13 H new ATOM 0 HB3 LYS A 48 -2.470 2.821 -9.142 1.00 21.13 H new ATOM 0 HG2 LYS A 48 -1.647 2.173 -11.434 1.00 31.43 H new ATOM 0 HG3 LYS A 48 -2.771 3.313 -12.147 1.00 31.43 H new ATOM 0 HD2 LYS A 48 -0.519 4.061 -10.217 1.00 40.51 H new ATOM 0 HD3 LYS A 48 -0.433 4.219 -11.960 1.00 40.51 H new ATOM 0 HE2 LYS A 48 -2.325 5.851 -11.908 1.00 33.43 H new ATOM 0 HE3 LYS A 48 -2.421 5.688 -10.166 1.00 33.43 H new ATOM 0 HZ1 LYS A 48 -1.108 7.630 -11.081 1.00 23.10 H new ATOM 0 HZ2 LYS A 48 -0.351 6.703 -9.877 1.00 23.10 H new ATOM 0 HZ3 LYS A 48 0.093 6.506 -11.504 1.00 23.10 H new ATOM 816 N TYR A 49 -2.704 0.033 -9.202 1.00 1.44 N ATOM 817 CA TYR A 49 -1.743 -1.104 -9.235 1.00 4.34 C ATOM 818 C TYR A 49 -2.409 -2.495 -9.102 1.00 74.43 C ATOM 819 O TYR A 49 -2.082 -3.398 -9.882 1.00 22.44 O ATOM 820 CB TYR A 49 -0.656 -0.913 -8.142 1.00 14.13 C ATOM 821 CG TYR A 49 0.370 0.187 -8.471 1.00 62.02 C ATOM 822 CD1 TYR A 49 0.019 1.540 -8.470 1.00 53.43 C ATOM 823 CD2 TYR A 49 1.694 -0.131 -8.779 1.00 60.35 C ATOM 824 CE1 TYR A 49 0.946 2.522 -8.764 1.00 12.51 C ATOM 825 CE2 TYR A 49 2.616 0.851 -9.073 1.00 43.24 C ATOM 826 CZ TYR A 49 2.240 2.174 -9.066 1.00 63.35 C ATOM 827 OH TYR A 49 3.165 3.158 -9.353 1.00 32.01 O ATOM 0 H TYR A 49 -2.778 0.471 -8.284 1.00 1.44 H new ATOM 0 HA TYR A 49 -1.285 -1.089 -10.224 1.00 4.34 H new ATOM 0 HB2 TYR A 49 -1.143 -0.672 -7.197 1.00 14.13 H new ATOM 0 HB3 TYR A 49 -0.129 -1.856 -7.998 1.00 14.13 H new ATOM 0 HD1 TYR A 49 -0.996 1.824 -8.235 1.00 53.43 H new ATOM 0 HD2 TYR A 49 2.002 -1.166 -8.787 1.00 60.35 H new ATOM 0 HE1 TYR A 49 0.653 3.562 -8.756 1.00 12.51 H new ATOM 0 HE2 TYR A 49 3.635 0.581 -9.309 1.00 43.24 H new ATOM 0 HH TYR A 49 3.760 3.281 -8.584 1.00 32.01 H new ATOM 837 N LEU A 50 -3.333 -2.670 -8.122 1.00 14.13 N ATOM 838 CA LEU A 50 -3.978 -4.000 -7.842 1.00 72.10 C ATOM 839 C LEU A 50 -4.646 -4.634 -9.081 1.00 71.40 C ATOM 840 O LEU A 50 -4.658 -5.860 -9.228 1.00 43.12 O ATOM 841 CB LEU A 50 -5.013 -3.907 -6.681 1.00 33.20 C ATOM 842 CG LEU A 50 -4.431 -4.096 -5.250 1.00 75.33 C ATOM 843 CD1 LEU A 50 -3.568 -2.920 -4.801 1.00 12.31 C ATOM 844 CD2 LEU A 50 -5.537 -4.373 -4.230 1.00 23.43 C ATOM 0 H LEU A 50 -3.653 -1.919 -7.511 1.00 14.13 H new ATOM 0 HA LEU A 50 -3.159 -4.654 -7.543 1.00 72.10 H new ATOM 0 HB2 LEU A 50 -5.502 -2.934 -6.730 1.00 33.20 H new ATOM 0 HB3 LEU A 50 -5.784 -4.660 -6.843 1.00 33.20 H new ATOM 0 HG LEU A 50 -3.779 -4.968 -5.301 1.00 75.33 H new ATOM 0 HD11 LEU A 50 -3.190 -3.109 -3.796 1.00 12.31 H new ATOM 0 HD12 LEU A 50 -2.730 -2.801 -5.487 1.00 12.31 H new ATOM 0 HD13 LEU A 50 -4.167 -2.009 -4.798 1.00 12.31 H new ATOM 0 HD21 LEU A 50 -5.096 -4.500 -3.241 1.00 23.43 H new ATOM 0 HD22 LEU A 50 -6.234 -3.535 -4.212 1.00 23.43 H new ATOM 0 HD23 LEU A 50 -6.070 -5.282 -4.509 1.00 23.43 H new ATOM 856 N LYS A 51 -5.166 -3.776 -9.956 1.00 41.15 N ATOM 857 CA LYS A 51 -5.860 -4.168 -11.210 1.00 74.12 C ATOM 858 C LYS A 51 -4.977 -5.072 -12.125 1.00 22.52 C ATOM 859 O LYS A 51 -5.493 -5.951 -12.824 1.00 14.14 O ATOM 860 CB LYS A 51 -6.308 -2.882 -11.976 1.00 64.11 C ATOM 861 CG LYS A 51 -7.639 -2.234 -11.495 1.00 21.03 C ATOM 862 CD LYS A 51 -7.708 -1.967 -9.969 1.00 13.13 C ATOM 863 CE LYS A 51 -8.930 -1.117 -9.570 1.00 25.14 C ATOM 864 NZ LYS A 51 -10.214 -1.673 -10.069 1.00 74.43 N ATOM 0 H LYS A 51 -5.123 -2.766 -9.823 1.00 41.15 H new ATOM 0 HA LYS A 51 -6.733 -4.761 -10.938 1.00 74.12 H new ATOM 0 HB2 LYS A 51 -5.515 -2.139 -11.895 1.00 64.11 H new ATOM 0 HB3 LYS A 51 -6.407 -3.128 -13.033 1.00 64.11 H new ATOM 0 HG2 LYS A 51 -7.781 -1.291 -12.023 1.00 21.03 H new ATOM 0 HG3 LYS A 51 -8.467 -2.884 -11.775 1.00 21.03 H new ATOM 0 HD2 LYS A 51 -7.743 -2.919 -9.439 1.00 13.13 H new ATOM 0 HD3 LYS A 51 -6.797 -1.459 -9.651 1.00 13.13 H new ATOM 0 HE2 LYS A 51 -8.972 -1.040 -8.484 1.00 25.14 H new ATOM 0 HE3 LYS A 51 -8.804 -0.106 -9.957 1.00 25.14 H new ATOM 0 HZ1 LYS A 51 -11.005 -1.118 -9.686 1.00 74.43 H new ATOM 0 HZ2 LYS A 51 -10.231 -1.628 -11.108 1.00 74.43 H new ATOM 0 HZ3 LYS A 51 -10.306 -2.663 -9.763 1.00 74.43 H new ATOM 878 N LYS A 52 -3.649 -4.832 -12.102 1.00 61.23 N ATOM 879 CA LYS A 52 -2.654 -5.597 -12.907 1.00 23.31 C ATOM 880 C LYS A 52 -1.607 -6.331 -12.020 1.00 64.34 C ATOM 881 O LYS A 52 -0.711 -7.008 -12.546 1.00 3.12 O ATOM 882 CB LYS A 52 -1.946 -4.620 -13.888 1.00 64.32 C ATOM 883 CG LYS A 52 -2.896 -3.964 -14.928 1.00 34.33 C ATOM 884 CD LYS A 52 -2.223 -2.841 -15.750 1.00 5.43 C ATOM 885 CE LYS A 52 -1.797 -1.639 -14.882 1.00 60.31 C ATOM 886 NZ LYS A 52 -1.200 -0.555 -15.694 1.00 42.34 N ATOM 0 H LYS A 52 -3.229 -4.103 -11.526 1.00 61.23 H new ATOM 0 HA LYS A 52 -3.186 -6.371 -13.460 1.00 23.31 H new ATOM 0 HB2 LYS A 52 -1.458 -3.834 -13.312 1.00 64.32 H new ATOM 0 HB3 LYS A 52 -1.162 -5.160 -14.418 1.00 64.32 H new ATOM 0 HG2 LYS A 52 -3.264 -4.732 -15.609 1.00 34.33 H new ATOM 0 HG3 LYS A 52 -3.763 -3.555 -14.410 1.00 34.33 H new ATOM 0 HD2 LYS A 52 -1.348 -3.244 -16.259 1.00 5.43 H new ATOM 0 HD3 LYS A 52 -2.912 -2.500 -16.523 1.00 5.43 H new ATOM 0 HE2 LYS A 52 -2.664 -1.254 -14.344 1.00 60.31 H new ATOM 0 HE3 LYS A 52 -1.078 -1.969 -14.133 1.00 60.31 H new ATOM 0 HZ1 LYS A 52 -0.927 0.234 -15.073 1.00 42.34 H new ATOM 0 HZ2 LYS A 52 -0.358 -0.914 -16.187 1.00 42.34 H new ATOM 0 HZ3 LYS A 52 -1.895 -0.222 -16.392 1.00 42.34 H new ATOM 900 N MET A 53 -1.716 -6.183 -10.687 1.00 3.12 N ATOM 901 CA MET A 53 -0.794 -6.796 -9.721 1.00 24.54 C ATOM 902 C MET A 53 -1.049 -8.323 -9.560 1.00 73.42 C ATOM 903 O MET A 53 -2.201 -8.775 -9.547 1.00 70.42 O ATOM 904 CB MET A 53 -0.949 -6.083 -8.353 1.00 41.13 C ATOM 905 CG MET A 53 0.080 -6.514 -7.322 1.00 64.33 C ATOM 906 SD MET A 53 -0.241 -5.909 -5.644 1.00 71.35 S ATOM 907 CE MET A 53 -0.084 -4.136 -5.813 1.00 63.20 C ATOM 0 H MET A 53 -2.453 -5.630 -10.250 1.00 3.12 H new ATOM 0 HA MET A 53 0.223 -6.677 -10.096 1.00 24.54 H new ATOM 0 HB2 MET A 53 -0.871 -5.006 -8.503 1.00 41.13 H new ATOM 0 HB3 MET A 53 -1.947 -6.279 -7.962 1.00 41.13 H new ATOM 0 HG2 MET A 53 0.121 -7.603 -7.301 1.00 64.33 H new ATOM 0 HG3 MET A 53 1.062 -6.164 -7.639 1.00 64.33 H new ATOM 0 HE1 MET A 53 -0.242 -3.663 -4.844 1.00 63.20 H new ATOM 0 HE2 MET A 53 0.914 -3.892 -6.177 1.00 63.20 H new ATOM 0 HE3 MET A 53 -0.828 -3.771 -6.521 1.00 63.20 H new ATOM 917 N ASN A 54 0.042 -9.101 -9.451 1.00 10.13 N ATOM 918 CA ASN A 54 -0.017 -10.561 -9.196 1.00 51.41 C ATOM 919 C ASN A 54 -0.243 -10.866 -7.693 1.00 44.45 C ATOM 920 O ASN A 54 0.010 -10.014 -6.844 1.00 71.24 O ATOM 921 CB ASN A 54 1.282 -11.249 -9.712 1.00 62.42 C ATOM 922 CG ASN A 54 2.595 -10.615 -9.207 1.00 13.44 C ATOM 923 OD1 ASN A 54 2.660 -10.023 -8.140 1.00 11.54 O ATOM 924 ND2 ASN A 54 3.664 -10.768 -9.959 1.00 51.02 N ATOM 0 H ASN A 54 0.992 -8.740 -9.536 1.00 10.13 H new ATOM 0 HA ASN A 54 -0.869 -10.966 -9.742 1.00 51.41 H new ATOM 0 HB2 ASN A 54 1.264 -12.298 -9.415 1.00 62.42 H new ATOM 0 HB3 ASN A 54 1.280 -11.227 -10.802 1.00 62.42 H new ATOM 0 HD21 ASN A 54 4.561 -10.390 -9.653 1.00 51.02 H new ATOM 0 HD22 ASN A 54 3.596 -11.264 -10.847 1.00 51.02 H new ATOM 931 N GLU A 55 -0.687 -12.102 -7.376 1.00 51.15 N ATOM 932 CA GLU A 55 -0.934 -12.550 -5.985 1.00 5.43 C ATOM 933 C GLU A 55 0.361 -12.509 -5.129 1.00 51.02 C ATOM 934 O GLU A 55 0.306 -12.329 -3.906 1.00 23.03 O ATOM 935 CB GLU A 55 -1.540 -13.975 -5.990 1.00 2.35 C ATOM 936 CG GLU A 55 -1.830 -14.554 -4.595 1.00 32.31 C ATOM 937 CD GLU A 55 -2.583 -15.894 -4.613 1.00 41.54 C ATOM 938 OE1 GLU A 55 -1.971 -16.926 -4.976 1.00 74.13 O ATOM 939 OE2 GLU A 55 -3.784 -15.916 -4.264 1.00 54.22 O ATOM 0 H GLU A 55 -0.885 -12.818 -8.075 1.00 51.15 H new ATOM 0 HA GLU A 55 -1.644 -11.860 -5.530 1.00 5.43 H new ATOM 0 HB2 GLU A 55 -2.468 -13.959 -6.562 1.00 2.35 H new ATOM 0 HB3 GLU A 55 -0.856 -14.644 -6.511 1.00 2.35 H new ATOM 0 HG2 GLU A 55 -0.886 -14.687 -4.066 1.00 32.31 H new ATOM 0 HG3 GLU A 55 -2.414 -13.829 -4.027 1.00 32.31 H new ATOM 946 N GLU A 56 1.513 -12.663 -5.805 1.00 42.52 N ATOM 947 CA GLU A 56 2.858 -12.556 -5.193 1.00 74.20 C ATOM 948 C GLU A 56 3.049 -11.208 -4.444 1.00 64.51 C ATOM 949 O GLU A 56 3.510 -11.182 -3.297 1.00 51.54 O ATOM 950 CB GLU A 56 3.934 -12.697 -6.296 1.00 64.31 C ATOM 951 CG GLU A 56 3.837 -13.992 -7.128 1.00 14.13 C ATOM 952 CD GLU A 56 4.828 -14.021 -8.308 1.00 23.42 C ATOM 953 OE1 GLU A 56 6.018 -14.342 -8.097 1.00 21.04 O ATOM 954 OE2 GLU A 56 4.426 -13.701 -9.449 1.00 51.41 O ATOM 0 H GLU A 56 1.541 -12.868 -6.804 1.00 42.52 H new ATOM 0 HA GLU A 56 2.960 -13.357 -4.461 1.00 74.20 H new ATOM 0 HB2 GLU A 56 3.860 -11.843 -6.969 1.00 64.31 H new ATOM 0 HB3 GLU A 56 4.919 -12.652 -5.832 1.00 64.31 H new ATOM 0 HG2 GLU A 56 4.025 -14.849 -6.481 1.00 14.13 H new ATOM 0 HG3 GLU A 56 2.822 -14.098 -7.510 1.00 14.13 H new ATOM 961 N GLU A 57 2.727 -10.092 -5.126 1.00 42.33 N ATOM 962 CA GLU A 57 2.705 -8.744 -4.511 1.00 42.12 C ATOM 963 C GLU A 57 1.422 -8.467 -3.695 1.00 61.33 C ATOM 964 O GLU A 57 1.467 -7.648 -2.797 1.00 53.41 O ATOM 965 CB GLU A 57 2.917 -7.614 -5.547 1.00 41.53 C ATOM 966 CG GLU A 57 4.331 -7.516 -6.148 1.00 31.50 C ATOM 967 CD GLU A 57 4.604 -6.138 -6.783 1.00 61.41 C ATOM 968 OE1 GLU A 57 4.044 -5.850 -7.865 1.00 5.51 O ATOM 969 OE2 GLU A 57 5.380 -5.333 -6.206 1.00 64.03 O ATOM 0 H GLU A 57 2.475 -10.095 -6.114 1.00 42.33 H new ATOM 0 HA GLU A 57 3.548 -8.744 -3.820 1.00 42.12 H new ATOM 0 HB2 GLU A 57 2.205 -7.754 -6.361 1.00 41.53 H new ATOM 0 HB3 GLU A 57 2.677 -6.662 -5.073 1.00 41.53 H new ATOM 0 HG2 GLU A 57 5.068 -7.707 -5.368 1.00 31.50 H new ATOM 0 HG3 GLU A 57 4.457 -8.292 -6.903 1.00 31.50 H new ATOM 976 N LEU A 58 0.268 -9.078 -4.052 1.00 52.24 N ATOM 977 CA LEU A 58 -1.018 -8.867 -3.315 1.00 54.30 C ATOM 978 C LEU A 58 -0.944 -9.367 -1.850 1.00 70.45 C ATOM 979 O LEU A 58 -1.519 -8.749 -0.958 1.00 71.25 O ATOM 980 CB LEU A 58 -2.223 -9.540 -4.041 1.00 4.22 C ATOM 981 CG LEU A 58 -2.658 -8.890 -5.396 1.00 21.22 C ATOM 982 CD1 LEU A 58 -3.768 -9.702 -6.090 1.00 14.22 C ATOM 983 CD2 LEU A 58 -3.110 -7.435 -5.192 1.00 33.52 C ATOM 0 H LEU A 58 0.192 -9.720 -4.841 1.00 52.24 H new ATOM 0 HA LEU A 58 -1.179 -7.789 -3.300 1.00 54.30 H new ATOM 0 HB2 LEU A 58 -1.973 -10.585 -4.226 1.00 4.22 H new ATOM 0 HB3 LEU A 58 -3.079 -9.532 -3.366 1.00 4.22 H new ATOM 0 HG LEU A 58 -1.784 -8.895 -6.047 1.00 21.22 H new ATOM 0 HD11 LEU A 58 -4.042 -9.217 -7.027 1.00 14.22 H new ATOM 0 HD12 LEU A 58 -3.408 -10.710 -6.295 1.00 14.22 H new ATOM 0 HD13 LEU A 58 -4.641 -9.754 -5.440 1.00 14.22 H new ATOM 0 HD21 LEU A 58 -3.407 -7.008 -6.150 1.00 33.52 H new ATOM 0 HD22 LEU A 58 -3.957 -7.410 -4.506 1.00 33.52 H new ATOM 0 HD23 LEU A 58 -2.288 -6.854 -4.775 1.00 33.52 H new ATOM 995 N GLU A 59 -0.245 -10.493 -1.611 1.00 4.51 N ATOM 996 CA GLU A 59 -0.023 -11.006 -0.237 1.00 14.43 C ATOM 997 C GLU A 59 0.967 -10.099 0.545 1.00 34.43 C ATOM 998 O GLU A 59 0.856 -9.949 1.768 1.00 52.34 O ATOM 999 CB GLU A 59 0.465 -12.481 -0.274 1.00 51.20 C ATOM 1000 CG GLU A 59 1.829 -12.706 -0.956 1.00 75.55 C ATOM 1001 CD GLU A 59 2.286 -14.174 -0.914 1.00 30.05 C ATOM 1002 OE1 GLU A 59 2.796 -14.609 0.144 1.00 45.41 O ATOM 1003 OE2 GLU A 59 2.143 -14.892 -1.931 1.00 15.45 O ATOM 0 H GLU A 59 0.175 -11.065 -2.344 1.00 4.51 H new ATOM 0 HA GLU A 59 -0.975 -10.983 0.294 1.00 14.43 H new ATOM 0 HB2 GLU A 59 0.523 -12.853 0.749 1.00 51.20 H new ATOM 0 HB3 GLU A 59 -0.284 -13.082 -0.790 1.00 51.20 H new ATOM 0 HG2 GLU A 59 1.768 -12.380 -1.994 1.00 75.55 H new ATOM 0 HG3 GLU A 59 2.580 -12.083 -0.469 1.00 75.55 H new ATOM 1010 N GLU A 60 1.919 -9.482 -0.185 1.00 60.44 N ATOM 1011 CA GLU A 60 2.874 -8.500 0.379 1.00 14.42 C ATOM 1012 C GLU A 60 2.161 -7.152 0.688 1.00 11.24 C ATOM 1013 O GLU A 60 2.470 -6.480 1.672 1.00 14.10 O ATOM 1014 CB GLU A 60 4.051 -8.278 -0.613 1.00 60.54 C ATOM 1015 CG GLU A 60 5.186 -7.360 -0.104 1.00 64.21 C ATOM 1016 CD GLU A 60 5.994 -7.963 1.062 1.00 14.42 C ATOM 1017 OE1 GLU A 60 5.612 -7.770 2.241 1.00 23.31 O ATOM 1018 OE2 GLU A 60 7.003 -8.653 0.807 1.00 75.42 O ATOM 0 H GLU A 60 2.049 -9.649 -1.183 1.00 60.44 H new ATOM 0 HA GLU A 60 3.269 -8.895 1.315 1.00 14.42 H new ATOM 0 HB2 GLU A 60 4.478 -9.248 -0.866 1.00 60.54 H new ATOM 0 HB3 GLU A 60 3.651 -7.856 -1.535 1.00 60.54 H new ATOM 0 HG2 GLU A 60 5.863 -7.143 -0.930 1.00 64.21 H new ATOM 0 HG3 GLU A 60 4.757 -6.410 0.215 1.00 64.21 H new ATOM 1025 N TYR A 61 1.204 -6.772 -0.180 1.00 44.42 N ATOM 1026 CA TYR A 61 0.373 -5.567 -0.005 1.00 71.52 C ATOM 1027 C TYR A 61 -0.594 -5.737 1.171 1.00 55.22 C ATOM 1028 O TYR A 61 -0.848 -4.798 1.914 1.00 35.12 O ATOM 1029 CB TYR A 61 -0.403 -5.252 -1.304 1.00 64.15 C ATOM 1030 CG TYR A 61 -1.222 -3.957 -1.239 1.00 71.10 C ATOM 1031 CD1 TYR A 61 -0.588 -2.721 -1.088 1.00 14.41 C ATOM 1032 CD2 TYR A 61 -2.616 -3.963 -1.312 1.00 74.30 C ATOM 1033 CE1 TYR A 61 -1.310 -1.552 -1.025 1.00 21.35 C ATOM 1034 CE2 TYR A 61 -3.342 -2.791 -1.256 1.00 61.25 C ATOM 1035 CZ TYR A 61 -2.681 -1.587 -1.115 1.00 70.45 C ATOM 1036 OH TYR A 61 -3.392 -0.415 -1.081 1.00 30.22 O ATOM 0 H TYR A 61 0.985 -7.296 -1.027 1.00 44.42 H new ATOM 0 HA TYR A 61 1.033 -4.728 0.217 1.00 71.52 H new ATOM 0 HB2 TYR A 61 0.304 -5.182 -2.130 1.00 64.15 H new ATOM 0 HB3 TYR A 61 -1.072 -6.083 -1.527 1.00 64.15 H new ATOM 0 HD1 TYR A 61 0.489 -2.683 -1.019 1.00 14.41 H new ATOM 0 HD2 TYR A 61 -3.137 -4.904 -1.414 1.00 74.30 H new ATOM 0 HE1 TYR A 61 -0.800 -0.608 -0.905 1.00 21.35 H new ATOM 0 HE2 TYR A 61 -4.420 -2.815 -1.322 1.00 61.25 H new ATOM 0 HH TYR A 61 -2.850 0.308 -1.460 1.00 30.22 H new ATOM 1046 N ASP A 62 -1.110 -6.961 1.328 1.00 15.23 N ATOM 1047 CA ASP A 62 -1.944 -7.345 2.479 1.00 61.40 C ATOM 1048 C ASP A 62 -1.151 -7.188 3.803 1.00 44.03 C ATOM 1049 O ASP A 62 -1.689 -6.742 4.814 1.00 1.44 O ATOM 1050 CB ASP A 62 -2.438 -8.800 2.271 1.00 62.34 C ATOM 1051 CG ASP A 62 -3.498 -9.278 3.275 1.00 53.01 C ATOM 1052 OD1 ASP A 62 -4.255 -8.445 3.827 1.00 63.23 O ATOM 1053 OD2 ASP A 62 -3.620 -10.507 3.475 1.00 31.01 O ATOM 0 H ASP A 62 -0.962 -7.718 0.660 1.00 15.23 H new ATOM 0 HA ASP A 62 -2.810 -6.687 2.550 1.00 61.40 H new ATOM 0 HB2 ASP A 62 -2.847 -8.888 1.265 1.00 62.34 H new ATOM 0 HB3 ASP A 62 -1.580 -9.470 2.326 1.00 62.34 H new ATOM 1058 N SER A 63 0.149 -7.528 3.746 1.00 1.20 N ATOM 1059 CA SER A 63 1.107 -7.297 4.857 1.00 64.21 C ATOM 1060 C SER A 63 1.304 -5.785 5.143 1.00 11.55 C ATOM 1061 O SER A 63 1.415 -5.378 6.304 1.00 31.22 O ATOM 1062 CB SER A 63 2.468 -7.937 4.520 1.00 22.23 C ATOM 1063 OG SER A 63 2.342 -9.325 4.276 1.00 64.15 O ATOM 0 H SER A 63 0.571 -7.971 2.930 1.00 1.20 H new ATOM 0 HA SER A 63 0.690 -7.759 5.752 1.00 64.21 H new ATOM 0 HB2 SER A 63 2.893 -7.449 3.643 1.00 22.23 H new ATOM 0 HB3 SER A 63 3.162 -7.773 5.344 1.00 22.23 H new ATOM 0 HG SER A 63 1.832 -9.467 3.451 1.00 64.15 H new ATOM 1069 N LEU A 64 1.329 -4.967 4.065 1.00 62.45 N ATOM 1070 CA LEU A 64 1.444 -3.489 4.153 1.00 61.13 C ATOM 1071 C LEU A 64 0.185 -2.865 4.826 1.00 5.31 C ATOM 1072 O LEU A 64 0.262 -1.816 5.473 1.00 4.10 O ATOM 1073 CB LEU A 64 1.658 -2.894 2.729 1.00 73.02 C ATOM 1074 CG LEU A 64 1.949 -1.360 2.647 1.00 24.32 C ATOM 1075 CD1 LEU A 64 3.292 -0.996 3.321 1.00 31.00 C ATOM 1076 CD2 LEU A 64 1.896 -0.850 1.184 1.00 64.34 C ATOM 0 H LEU A 64 1.270 -5.312 3.107 1.00 62.45 H new ATOM 0 HA LEU A 64 2.305 -3.244 4.776 1.00 61.13 H new ATOM 0 HB2 LEU A 64 2.487 -3.423 2.260 1.00 73.02 H new ATOM 0 HB3 LEU A 64 0.769 -3.104 2.135 1.00 73.02 H new ATOM 0 HG LEU A 64 1.160 -0.853 3.201 1.00 24.32 H new ATOM 0 HD11 LEU A 64 3.459 0.078 3.243 1.00 31.00 H new ATOM 0 HD12 LEU A 64 3.261 -1.283 4.372 1.00 31.00 H new ATOM 0 HD13 LEU A 64 4.104 -1.526 2.824 1.00 31.00 H new ATOM 0 HD21 LEU A 64 2.103 0.220 1.164 1.00 64.34 H new ATOM 0 HD22 LEU A 64 2.643 -1.375 0.588 1.00 64.34 H new ATOM 0 HD23 LEU A 64 0.905 -1.036 0.770 1.00 64.34 H new ATOM 1088 N LEU A 65 -0.970 -3.541 4.677 1.00 71.15 N ATOM 1089 CA LEU A 65 -2.248 -3.132 5.321 1.00 11.41 C ATOM 1090 C LEU A 65 -2.311 -3.528 6.826 1.00 13.20 C ATOM 1091 O LEU A 65 -3.311 -3.259 7.501 1.00 13.54 O ATOM 1092 CB LEU A 65 -3.444 -3.747 4.546 1.00 50.43 C ATOM 1093 CG LEU A 65 -3.461 -3.461 3.015 1.00 73.42 C ATOM 1094 CD1 LEU A 65 -4.635 -4.158 2.324 1.00 32.30 C ATOM 1095 CD2 LEU A 65 -3.443 -1.947 2.711 1.00 2.02 C ATOM 0 H LEU A 65 -1.051 -4.385 4.110 1.00 71.15 H new ATOM 0 HA LEU A 65 -2.304 -2.044 5.281 1.00 11.41 H new ATOM 0 HB2 LEU A 65 -3.438 -4.826 4.697 1.00 50.43 H new ATOM 0 HB3 LEU A 65 -4.370 -3.370 4.980 1.00 50.43 H new ATOM 0 HG LEU A 65 -2.544 -3.881 2.603 1.00 73.42 H new ATOM 0 HD11 LEU A 65 -4.614 -3.935 1.257 1.00 32.30 H new ATOM 0 HD12 LEU A 65 -4.556 -5.235 2.471 1.00 32.30 H new ATOM 0 HD13 LEU A 65 -5.572 -3.801 2.751 1.00 32.30 H new ATOM 0 HD21 LEU A 65 -3.456 -1.792 1.632 1.00 2.02 H new ATOM 0 HD22 LEU A 65 -4.320 -1.476 3.155 1.00 2.02 H new ATOM 0 HD23 LEU A 65 -2.541 -1.502 3.131 1.00 2.02 H new ATOM 1107 N ASN A 66 -1.246 -4.179 7.339 1.00 13.02 N ATOM 1108 CA ASN A 66 -1.075 -4.460 8.792 1.00 43.34 C ATOM 1109 C ASN A 66 0.033 -3.573 9.428 1.00 54.34 C ATOM 1110 O ASN A 66 0.398 -3.779 10.594 1.00 34.44 O ATOM 1111 CB ASN A 66 -0.783 -5.966 9.019 1.00 21.45 C ATOM 1112 CG ASN A 66 -1.981 -6.854 8.684 1.00 60.11 C ATOM 1113 OD1 ASN A 66 -2.834 -7.114 9.524 1.00 21.14 O ATOM 1114 ND2 ASN A 66 -2.060 -7.323 7.459 1.00 11.11 N ATOM 0 H ASN A 66 -0.478 -4.527 6.764 1.00 13.02 H new ATOM 0 HA ASN A 66 -2.010 -4.207 9.292 1.00 43.34 H new ATOM 0 HB2 ASN A 66 0.068 -6.264 8.406 1.00 21.45 H new ATOM 0 HB3 ASN A 66 -0.498 -6.124 10.059 1.00 21.45 H new ATOM 0 HD21 ASN A 66 -2.844 -7.917 7.190 1.00 11.11 H new ATOM 0 HD22 ASN A 66 -1.337 -7.093 6.777 1.00 11.11 H new ATOM 1121 N GLU A 67 0.536 -2.574 8.672 1.00 44.24 N ATOM 1122 CA GLU A 67 1.483 -1.547 9.200 1.00 14.04 C ATOM 1123 C GLU A 67 0.699 -0.369 9.871 1.00 22.02 C ATOM 1124 O GLU A 67 -0.477 -0.513 10.226 1.00 53.41 O ATOM 1125 CB GLU A 67 2.384 -1.001 8.049 1.00 3.14 C ATOM 1126 CG GLU A 67 3.068 -2.062 7.162 1.00 55.50 C ATOM 1127 CD GLU A 67 4.015 -3.012 7.911 1.00 2.31 C ATOM 1128 OE1 GLU A 67 4.982 -2.531 8.544 1.00 71.13 O ATOM 1129 OE2 GLU A 67 3.846 -4.244 7.816 1.00 23.31 O ATOM 0 H GLU A 67 0.305 -2.450 7.686 1.00 44.24 H new ATOM 0 HA GLU A 67 2.116 -2.018 9.953 1.00 14.04 H new ATOM 0 HB2 GLU A 67 1.775 -0.361 7.411 1.00 3.14 H new ATOM 0 HB3 GLU A 67 3.157 -0.370 8.488 1.00 3.14 H new ATOM 0 HG2 GLU A 67 2.298 -2.654 6.668 1.00 55.50 H new ATOM 0 HG3 GLU A 67 3.630 -1.553 6.379 1.00 55.50 H new ATOM 1136 N LEU A 68 1.375 0.785 10.078 1.00 62.24 N ATOM 1137 CA LEU A 68 0.730 2.044 10.550 1.00 73.44 C ATOM 1138 C LEU A 68 0.725 3.101 9.423 1.00 61.12 C ATOM 1139 O LEU A 68 1.728 3.250 8.722 1.00 31.43 O ATOM 1140 CB LEU A 68 1.471 2.602 11.796 1.00 74.45 C ATOM 1141 CG LEU A 68 1.474 1.679 13.055 1.00 54.13 C ATOM 1142 CD1 LEU A 68 2.333 2.278 14.191 1.00 52.41 C ATOM 1143 CD2 LEU A 68 0.029 1.405 13.534 1.00 3.44 C ATOM 0 H LEU A 68 2.379 0.875 9.925 1.00 62.24 H new ATOM 0 HA LEU A 68 -0.300 1.818 10.827 1.00 73.44 H new ATOM 0 HB2 LEU A 68 2.504 2.809 11.518 1.00 74.45 H new ATOM 0 HB3 LEU A 68 1.017 3.555 12.069 1.00 74.45 H new ATOM 0 HG LEU A 68 1.925 0.728 12.772 1.00 54.13 H new ATOM 0 HD11 LEU A 68 2.314 1.611 15.053 1.00 52.41 H new ATOM 0 HD12 LEU A 68 3.360 2.396 13.847 1.00 52.41 H new ATOM 0 HD13 LEU A 68 1.932 3.250 14.476 1.00 52.41 H new ATOM 0 HD21 LEU A 68 0.053 0.760 14.412 1.00 3.44 H new ATOM 0 HD22 LEU A 68 -0.455 2.348 13.789 1.00 3.44 H new ATOM 0 HD23 LEU A 68 -0.531 0.914 12.738 1.00 3.44 H new ATOM 1155 N ASP A 69 -0.410 3.825 9.272 1.00 74.43 N ATOM 1156 CA ASP A 69 -0.591 4.889 8.236 1.00 61.33 C ATOM 1157 C ASP A 69 0.608 5.870 8.127 1.00 74.30 C ATOM 1158 O ASP A 69 1.168 6.036 7.034 1.00 25.14 O ATOM 1159 CB ASP A 69 -1.923 5.675 8.451 1.00 73.12 C ATOM 1160 CG ASP A 69 -2.271 5.915 9.920 1.00 34.44 C ATOM 1161 OD1 ASP A 69 -1.795 6.909 10.507 1.00 2.13 O ATOM 1162 OD2 ASP A 69 -3.034 5.095 10.485 1.00 3.30 O ATOM 0 H ASP A 69 -1.231 3.693 9.862 1.00 74.43 H new ATOM 0 HA ASP A 69 -0.641 4.359 7.285 1.00 61.33 H new ATOM 0 HB2 ASP A 69 -1.852 6.637 7.943 1.00 73.12 H new ATOM 0 HB3 ASP A 69 -2.738 5.125 7.980 1.00 73.12 H new ATOM 1167 N TRP A 70 1.001 6.489 9.260 1.00 42.43 N ATOM 1168 CA TRP A 70 2.146 7.438 9.302 1.00 43.24 C ATOM 1169 C TRP A 70 3.439 6.836 8.702 1.00 2.31 C ATOM 1170 O TRP A 70 4.064 7.457 7.838 1.00 42.34 O ATOM 1171 CB TRP A 70 2.409 7.954 10.745 1.00 14.44 C ATOM 1172 CG TRP A 70 1.430 9.011 11.184 1.00 64.42 C ATOM 1173 CD1 TRP A 70 0.476 8.916 12.154 1.00 5.43 C ATOM 1174 CD2 TRP A 70 1.313 10.328 10.628 1.00 53.54 C ATOM 1175 NE1 TRP A 70 -0.213 10.096 12.245 1.00 61.32 N ATOM 1176 CE2 TRP A 70 0.283 10.978 11.319 1.00 53.53 C ATOM 1177 CE3 TRP A 70 1.994 11.022 9.616 1.00 21.13 C ATOM 1178 CZ2 TRP A 70 -0.094 12.289 11.028 1.00 53.21 C ATOM 1179 CZ3 TRP A 70 1.617 12.315 9.322 1.00 72.02 C ATOM 1180 CH2 TRP A 70 0.583 12.940 10.030 1.00 53.42 C ATOM 0 H TRP A 70 0.545 6.352 10.162 1.00 42.43 H new ATOM 0 HA TRP A 70 1.860 8.285 8.678 1.00 43.24 H new ATOM 0 HB2 TRP A 70 2.363 7.114 11.438 1.00 14.44 H new ATOM 0 HB3 TRP A 70 3.420 8.358 10.801 1.00 14.44 H new ATOM 0 HD1 TRP A 70 0.292 8.041 12.760 1.00 5.43 H new ATOM 0 HE1 TRP A 70 -0.973 10.288 12.897 1.00 61.32 H new ATOM 0 HE3 TRP A 70 2.801 10.550 9.076 1.00 21.13 H new ATOM 0 HZ2 TRP A 70 -0.892 12.774 11.570 1.00 53.21 H new ATOM 0 HZ3 TRP A 70 2.126 12.853 8.536 1.00 72.02 H new ATOM 0 HH2 TRP A 70 0.313 13.957 9.784 1.00 53.42 H new ATOM 1191 N ASP A 71 3.782 5.601 9.109 1.00 50.45 N ATOM 1192 CA ASP A 71 5.016 4.927 8.651 1.00 53.33 C ATOM 1193 C ASP A 71 4.970 4.645 7.131 1.00 4.45 C ATOM 1194 O ASP A 71 5.906 4.989 6.415 1.00 32.01 O ATOM 1195 CB ASP A 71 5.250 3.619 9.451 1.00 33.44 C ATOM 1196 CG ASP A 71 5.366 3.857 10.966 1.00 61.51 C ATOM 1197 OD1 ASP A 71 5.986 4.865 11.381 1.00 42.33 O ATOM 1198 OD2 ASP A 71 4.837 3.046 11.752 1.00 63.42 O ATOM 0 H ASP A 71 3.222 5.046 9.756 1.00 50.45 H new ATOM 0 HA ASP A 71 5.855 5.597 8.836 1.00 53.33 H new ATOM 0 HB2 ASP A 71 4.428 2.929 9.259 1.00 33.44 H new ATOM 0 HB3 ASP A 71 6.160 3.138 9.093 1.00 33.44 H new ATOM 1203 N ILE A 72 3.839 4.068 6.657 1.00 1.42 N ATOM 1204 CA ILE A 72 3.581 3.800 5.209 1.00 51.24 C ATOM 1205 C ILE A 72 3.771 5.083 4.358 1.00 23.12 C ATOM 1206 O ILE A 72 4.387 5.058 3.281 1.00 60.22 O ATOM 1207 CB ILE A 72 2.114 3.254 4.982 1.00 62.05 C ATOM 1208 CG1 ILE A 72 1.862 1.942 5.787 1.00 2.13 C ATOM 1209 CG2 ILE A 72 1.804 3.036 3.475 1.00 2.43 C ATOM 1210 CD1 ILE A 72 0.415 1.456 5.782 1.00 31.35 C ATOM 0 H ILE A 72 3.075 3.772 7.264 1.00 1.42 H new ATOM 0 HA ILE A 72 4.302 3.046 4.894 1.00 51.24 H new ATOM 0 HB ILE A 72 1.433 4.019 5.355 1.00 62.05 H new ATOM 0 HG12 ILE A 72 2.496 1.155 5.379 1.00 2.13 H new ATOM 0 HG13 ILE A 72 2.174 2.100 6.819 1.00 2.13 H new ATOM 0 HG21 ILE A 72 0.787 2.661 3.363 1.00 2.43 H new ATOM 0 HG22 ILE A 72 1.902 3.982 2.943 1.00 2.43 H new ATOM 0 HG23 ILE A 72 2.505 2.312 3.060 1.00 2.43 H new ATOM 0 HD11 ILE A 72 0.337 0.539 6.366 1.00 31.35 H new ATOM 0 HD12 ILE A 72 -0.227 2.221 6.219 1.00 31.35 H new ATOM 0 HD13 ILE A 72 0.100 1.261 4.757 1.00 31.35 H new ATOM 1222 N TYR A 73 3.252 6.202 4.891 1.00 13.20 N ATOM 1223 CA TYR A 73 3.302 7.517 4.231 1.00 35.51 C ATOM 1224 C TYR A 73 4.752 8.039 4.105 1.00 53.24 C ATOM 1225 O TYR A 73 5.139 8.542 3.051 1.00 63.31 O ATOM 1226 CB TYR A 73 2.419 8.523 5.014 1.00 1.33 C ATOM 1227 CG TYR A 73 2.290 9.895 4.343 1.00 34.35 C ATOM 1228 CD1 TYR A 73 1.548 10.048 3.166 1.00 3.14 C ATOM 1229 CD2 TYR A 73 2.932 11.024 4.860 1.00 35.42 C ATOM 1230 CE1 TYR A 73 1.450 11.271 2.539 1.00 64.44 C ATOM 1231 CE2 TYR A 73 2.840 12.249 4.232 1.00 71.12 C ATOM 1232 CZ TYR A 73 2.101 12.370 3.074 1.00 50.23 C ATOM 1233 OH TYR A 73 2.022 13.595 2.446 1.00 0.21 O ATOM 0 H TYR A 73 2.783 6.219 5.797 1.00 13.20 H new ATOM 0 HA TYR A 73 2.914 7.409 3.218 1.00 35.51 H new ATOM 0 HB2 TYR A 73 1.424 8.096 5.139 1.00 1.33 H new ATOM 0 HB3 TYR A 73 2.836 8.656 6.012 1.00 1.33 H new ATOM 0 HD1 TYR A 73 1.043 9.192 2.742 1.00 3.14 H new ATOM 0 HD2 TYR A 73 3.511 10.936 5.768 1.00 35.42 H new ATOM 0 HE1 TYR A 73 0.868 11.372 1.635 1.00 64.44 H new ATOM 0 HE2 TYR A 73 3.345 13.110 4.646 1.00 71.12 H new ATOM 0 HH TYR A 73 1.153 14.005 2.637 1.00 0.21 H new ATOM 1243 N TYR A 74 5.552 7.884 5.176 1.00 63.43 N ATOM 1244 CA TYR A 74 6.955 8.366 5.206 1.00 34.24 C ATOM 1245 C TYR A 74 7.898 7.473 4.367 1.00 42.04 C ATOM 1246 O TYR A 74 8.933 7.938 3.895 1.00 32.23 O ATOM 1247 CB TYR A 74 7.477 8.462 6.658 1.00 31.03 C ATOM 1248 CG TYR A 74 6.819 9.562 7.508 1.00 2.13 C ATOM 1249 CD1 TYR A 74 6.803 10.895 7.079 1.00 63.03 C ATOM 1250 CD2 TYR A 74 6.238 9.280 8.744 1.00 14.11 C ATOM 1251 CE1 TYR A 74 6.236 11.890 7.851 1.00 65.13 C ATOM 1252 CE2 TYR A 74 5.663 10.271 9.515 1.00 64.43 C ATOM 1253 CZ TYR A 74 5.664 11.574 9.067 1.00 63.23 C ATOM 1254 OH TYR A 74 5.109 12.569 9.845 1.00 34.23 O ATOM 0 H TYR A 74 5.254 7.427 6.038 1.00 63.43 H new ATOM 0 HA TYR A 74 6.953 9.361 4.760 1.00 34.24 H new ATOM 0 HB2 TYR A 74 7.322 7.501 7.149 1.00 31.03 H new ATOM 0 HB3 TYR A 74 8.553 8.637 6.632 1.00 31.03 H new ATOM 0 HD1 TYR A 74 7.243 11.150 6.126 1.00 63.03 H new ATOM 0 HD2 TYR A 74 6.238 8.263 9.107 1.00 14.11 H new ATOM 0 HE1 TYR A 74 6.240 12.913 7.504 1.00 65.13 H new ATOM 0 HE2 TYR A 74 5.214 10.025 10.466 1.00 64.43 H new ATOM 0 HH TYR A 74 4.133 12.477 9.847 1.00 34.23 H new ATOM 1264 N TRP A 75 7.549 6.188 4.203 1.00 41.11 N ATOM 1265 CA TRP A 75 8.305 5.270 3.327 1.00 30.32 C ATOM 1266 C TRP A 75 8.063 5.616 1.836 1.00 33.20 C ATOM 1267 O TRP A 75 9.002 5.666 1.037 1.00 5.21 O ATOM 1268 CB TRP A 75 7.916 3.793 3.605 1.00 40.12 C ATOM 1269 CG TRP A 75 8.117 3.310 5.028 1.00 13.32 C ATOM 1270 CD1 TRP A 75 9.006 3.777 5.962 1.00 14.41 C ATOM 1271 CD2 TRP A 75 7.405 2.239 5.664 1.00 54.42 C ATOM 1272 NE1 TRP A 75 8.873 3.076 7.132 1.00 60.12 N ATOM 1273 CE2 TRP A 75 7.898 2.127 6.974 1.00 24.32 C ATOM 1274 CE3 TRP A 75 6.389 1.372 5.248 1.00 44.44 C ATOM 1275 CZ2 TRP A 75 7.408 1.185 7.874 1.00 1.32 C ATOM 1276 CZ3 TRP A 75 5.908 0.438 6.139 1.00 50.45 C ATOM 1277 CH2 TRP A 75 6.418 0.351 7.442 1.00 24.35 C ATOM 0 H TRP A 75 6.748 5.757 4.665 1.00 41.11 H new ATOM 0 HA TRP A 75 9.366 5.393 3.546 1.00 30.32 H new ATOM 0 HB2 TRP A 75 6.867 3.658 3.341 1.00 40.12 H new ATOM 0 HB3 TRP A 75 8.496 3.154 2.940 1.00 40.12 H new ATOM 0 HD1 TRP A 75 9.709 4.581 5.799 1.00 14.41 H new ATOM 0 HE1 TRP A 75 9.413 3.235 7.983 1.00 60.12 H new ATOM 0 HE3 TRP A 75 5.989 1.434 4.247 1.00 44.44 H new ATOM 0 HZ2 TRP A 75 7.798 1.117 8.879 1.00 1.32 H new ATOM 0 HZ3 TRP A 75 5.125 -0.238 5.829 1.00 50.45 H new ATOM 0 HH2 TRP A 75 6.019 -0.391 8.118 1.00 24.35 H new ATOM 1288 N ALA A 76 6.787 5.872 1.494 1.00 24.00 N ATOM 1289 CA ALA A 76 6.353 6.208 0.115 1.00 30.35 C ATOM 1290 C ALA A 76 6.887 7.578 -0.366 1.00 4.31 C ATOM 1291 O ALA A 76 7.479 7.688 -1.442 1.00 21.20 O ATOM 1292 CB ALA A 76 4.828 6.195 0.041 1.00 5.24 C ATOM 0 H ALA A 76 6.020 5.853 2.166 1.00 24.00 H new ATOM 0 HA ALA A 76 6.773 5.451 -0.548 1.00 30.35 H new ATOM 0 HB1 ALA A 76 4.511 6.442 -0.972 1.00 5.24 H new ATOM 0 HB2 ALA A 76 4.459 5.204 0.305 1.00 5.24 H new ATOM 0 HB3 ALA A 76 4.424 6.930 0.737 1.00 5.24 H new ATOM 1298 N THR A 77 6.668 8.622 0.451 1.00 3.33 N ATOM 1299 CA THR A 77 7.097 10.007 0.124 1.00 35.04 C ATOM 1300 C THR A 77 8.630 10.186 0.226 1.00 51.11 C ATOM 1301 O THR A 77 9.160 11.218 -0.210 1.00 75.53 O ATOM 1302 CB THR A 77 6.401 11.062 1.049 1.00 64.43 C ATOM 1303 OG1 THR A 77 6.728 10.806 2.430 1.00 32.00 O ATOM 1304 CG2 THR A 77 4.869 11.058 0.870 1.00 71.43 C ATOM 0 H THR A 77 6.194 8.539 1.350 1.00 3.33 H new ATOM 0 HA THR A 77 6.793 10.175 -0.909 1.00 35.04 H new ATOM 0 HB THR A 77 6.772 12.045 0.760 1.00 64.43 H new ATOM 0 HG1 THR A 77 6.221 10.030 2.748 1.00 32.00 H new ATOM 0 HG21 THR A 77 4.424 11.803 1.529 1.00 71.43 H new ATOM 0 HG22 THR A 77 4.623 11.295 -0.165 1.00 71.43 H new ATOM 0 HG23 THR A 77 4.476 10.072 1.119 1.00 71.43 H new ATOM 1312 N LYS A 78 9.314 9.166 0.801 1.00 43.21 N ATOM 1313 CA LYS A 78 10.777 9.150 1.013 1.00 30.11 C ATOM 1314 C LYS A 78 11.167 10.305 1.983 1.00 24.22 C ATOM 1315 O LYS A 78 11.931 11.217 1.656 1.00 41.50 O ATOM 1316 CB LYS A 78 11.537 9.161 -0.365 1.00 34.44 C ATOM 1317 CG LYS A 78 12.961 8.541 -0.368 1.00 75.14 C ATOM 1318 CD LYS A 78 14.072 9.492 0.155 1.00 41.44 C ATOM 1319 CE LYS A 78 15.461 8.827 0.164 1.00 10.00 C ATOM 1320 NZ LYS A 78 16.536 9.792 0.524 1.00 73.51 N ATOM 0 H LYS A 78 8.854 8.319 1.135 1.00 43.21 H new ATOM 0 HA LYS A 78 11.090 8.224 1.496 1.00 30.11 H new ATOM 0 HB2 LYS A 78 10.929 8.627 -1.096 1.00 34.44 H new ATOM 0 HB3 LYS A 78 11.612 10.193 -0.707 1.00 34.44 H new ATOM 0 HG2 LYS A 78 12.953 7.639 0.244 1.00 75.14 H new ATOM 0 HG3 LYS A 78 13.209 8.235 -1.384 1.00 75.14 H new ATOM 0 HD2 LYS A 78 14.104 10.385 -0.469 1.00 41.44 H new ATOM 0 HD3 LYS A 78 13.822 9.817 1.165 1.00 41.44 H new ATOM 0 HE2 LYS A 78 15.463 8.000 0.874 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.667 8.404 -0.819 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 17.455 9.306 0.519 1.00 73.51 H new ATOM 0 HZ2 LYS A 78 16.551 10.568 -0.168 1.00 73.51 H new ATOM 0 HZ3 LYS A 78 16.353 10.177 1.473 1.00 73.51 H new ATOM 1334 N ASN A 79 10.554 10.249 3.171 1.00 11.42 N ATOM 1335 CA ASN A 79 10.682 11.258 4.228 1.00 12.21 C ATOM 1336 C ASN A 79 10.896 10.531 5.587 1.00 12.02 C ATOM 1337 O ASN A 79 10.070 10.585 6.504 1.00 65.53 O ATOM 1338 CB ASN A 79 9.405 12.149 4.230 1.00 2.30 C ATOM 1339 CG ASN A 79 9.486 13.339 5.184 1.00 31.05 C ATOM 1340 OD1 ASN A 79 10.558 13.889 5.418 1.00 33.42 O ATOM 1341 ND2 ASN A 79 8.371 13.735 5.757 1.00 32.23 N ATOM 0 H ASN A 79 9.938 9.479 3.431 1.00 11.42 H new ATOM 0 HA ASN A 79 11.540 11.908 4.056 1.00 12.21 H new ATOM 0 HB2 ASN A 79 9.228 12.517 3.219 1.00 2.30 H new ATOM 0 HB3 ASN A 79 8.546 11.536 4.501 1.00 2.30 H new ATOM 0 HD21 ASN A 79 8.384 14.516 6.413 1.00 32.23 H new ATOM 0 HD22 ASN A 79 7.493 13.261 5.546 1.00 32.23 H new ATOM 1348 N PHE A 80 12.044 9.854 5.693 1.00 4.02 N ATOM 1349 CA PHE A 80 12.398 8.995 6.854 1.00 72.53 C ATOM 1350 C PHE A 80 12.943 9.805 8.069 1.00 11.25 C ATOM 1351 O PHE A 80 13.535 9.217 8.982 1.00 52.41 O ATOM 1352 CB PHE A 80 13.439 7.927 6.411 1.00 44.05 C ATOM 1353 CG PHE A 80 13.011 7.079 5.203 1.00 44.51 C ATOM 1354 CD1 PHE A 80 12.215 5.941 5.363 1.00 32.14 C ATOM 1355 CD2 PHE A 80 13.404 7.420 3.905 1.00 54.12 C ATOM 1356 CE1 PHE A 80 11.834 5.181 4.269 1.00 1.33 C ATOM 1357 CE2 PHE A 80 13.017 6.655 2.818 1.00 74.21 C ATOM 1358 CZ PHE A 80 12.234 5.536 2.999 1.00 12.51 C ATOM 0 H PHE A 80 12.768 9.880 4.975 1.00 4.02 H new ATOM 0 HA PHE A 80 11.480 8.512 7.190 1.00 72.53 H new ATOM 0 HB2 PHE A 80 14.376 8.430 6.172 1.00 44.05 H new ATOM 0 HB3 PHE A 80 13.639 7.263 7.252 1.00 44.05 H new ATOM 0 HD1 PHE A 80 11.893 5.651 6.352 1.00 32.14 H new ATOM 0 HD2 PHE A 80 14.019 8.294 3.748 1.00 54.12 H new ATOM 0 HE1 PHE A 80 11.219 4.305 4.413 1.00 1.33 H new ATOM 0 HE2 PHE A 80 13.330 6.937 1.824 1.00 74.21 H new ATOM 0 HZ PHE A 80 11.935 4.940 2.150 1.00 12.51 H new ATOM 1368 N LYS A 81 12.691 11.141 8.096 1.00 4.24 N ATOM 1369 CA LYS A 81 13.188 12.057 9.162 1.00 51.31 C ATOM 1370 C LYS A 81 12.731 11.656 10.592 1.00 62.44 C ATOM 1371 O LYS A 81 13.369 12.032 11.582 1.00 2.20 O ATOM 1372 CB LYS A 81 12.746 13.523 8.877 1.00 2.43 C ATOM 1373 CG LYS A 81 11.212 13.748 8.785 1.00 12.24 C ATOM 1374 CD LYS A 81 10.774 15.247 8.864 1.00 73.31 C ATOM 1375 CE LYS A 81 11.192 16.120 7.654 1.00 70.21 C ATOM 1376 NZ LYS A 81 12.655 16.397 7.593 1.00 34.13 N ATOM 0 H LYS A 81 12.138 11.614 7.381 1.00 4.24 H new ATOM 0 HA LYS A 81 14.275 11.975 9.135 1.00 51.31 H new ATOM 0 HB2 LYS A 81 13.144 14.164 9.663 1.00 2.43 H new ATOM 0 HB3 LYS A 81 13.201 13.847 7.941 1.00 2.43 H new ATOM 0 HG2 LYS A 81 10.850 13.325 7.848 1.00 12.24 H new ATOM 0 HG3 LYS A 81 10.727 13.197 9.591 1.00 12.24 H new ATOM 0 HD2 LYS A 81 9.689 15.287 8.964 1.00 73.31 H new ATOM 0 HD3 LYS A 81 11.194 15.685 9.770 1.00 73.31 H new ATOM 0 HE2 LYS A 81 10.887 15.621 6.734 1.00 70.21 H new ATOM 0 HE3 LYS A 81 10.653 17.067 7.697 1.00 70.21 H new ATOM 0 HZ1 LYS A 81 12.810 17.382 7.298 1.00 34.13 H new ATOM 0 HZ2 LYS A 81 13.076 16.246 8.532 1.00 34.13 H new ATOM 0 HZ3 LYS A 81 13.101 15.756 6.906 1.00 34.13 H new ATOM 1390 N THR A 82 11.615 10.911 10.687 1.00 45.14 N ATOM 1391 CA THR A 82 11.034 10.459 11.979 1.00 41.12 C ATOM 1392 C THR A 82 10.706 8.943 11.954 1.00 44.11 C ATOM 1393 O THR A 82 10.752 8.270 12.992 1.00 24.44 O ATOM 1394 CB THR A 82 9.746 11.283 12.330 1.00 13.55 C ATOM 1395 OG1 THR A 82 9.167 10.824 13.564 1.00 73.23 O ATOM 1396 CG2 THR A 82 8.699 11.216 11.204 1.00 24.15 C ATOM 0 H THR A 82 11.084 10.601 9.873 1.00 45.14 H new ATOM 0 HA THR A 82 11.784 10.632 12.751 1.00 41.12 H new ATOM 0 HB THR A 82 10.053 12.323 12.444 1.00 13.55 H new ATOM 0 HG1 THR A 82 8.366 11.352 13.766 1.00 73.23 H new ATOM 0 HG21 THR A 82 7.823 11.799 11.487 1.00 24.15 H new ATOM 0 HG22 THR A 82 9.125 11.622 10.287 1.00 24.15 H new ATOM 0 HG23 THR A 82 8.407 10.179 11.040 1.00 24.15 H new ATOM 1404 N SER A 83 10.376 8.413 10.759 1.00 64.04 N ATOM 1405 CA SER A 83 10.050 6.974 10.562 1.00 4.31 C ATOM 1406 C SER A 83 11.030 6.314 9.556 1.00 65.14 C ATOM 1407 O SER A 83 10.833 6.432 8.342 1.00 21.15 O ATOM 1408 CB SER A 83 8.592 6.805 10.070 1.00 12.43 C ATOM 1409 OG SER A 83 7.670 7.372 10.985 1.00 30.02 O ATOM 0 H SER A 83 10.326 8.963 9.902 1.00 64.04 H new ATOM 0 HA SER A 83 10.155 6.475 11.525 1.00 4.31 H new ATOM 0 HB2 SER A 83 8.478 7.279 9.095 1.00 12.43 H new ATOM 0 HB3 SER A 83 8.371 5.746 9.937 1.00 12.43 H new ATOM 0 HG SER A 83 7.002 6.700 11.235 1.00 30.02 H new ATOM 1415 N PRO A 84 12.128 5.643 10.046 1.00 62.30 N ATOM 1416 CA PRO A 84 13.095 4.910 9.173 1.00 1.44 C ATOM 1417 C PRO A 84 12.492 3.634 8.521 1.00 2.21 C ATOM 1418 O PRO A 84 11.411 3.167 8.902 1.00 50.45 O ATOM 1419 CB PRO A 84 14.270 4.557 10.137 1.00 41.33 C ATOM 1420 CG PRO A 84 14.043 5.413 11.354 1.00 2.23 C ATOM 1421 CD PRO A 84 12.545 5.569 11.466 1.00 11.11 C ATOM 0 HA PRO A 84 13.402 5.516 8.321 1.00 1.44 H new ATOM 0 HB2 PRO A 84 14.266 3.497 10.393 1.00 41.33 H new ATOM 0 HB3 PRO A 84 15.235 4.771 9.678 1.00 41.33 H new ATOM 0 HG2 PRO A 84 14.456 4.943 12.247 1.00 2.23 H new ATOM 0 HG3 PRO A 84 14.531 6.382 11.249 1.00 2.23 H new ATOM 0 HD2 PRO A 84 12.086 4.725 11.981 1.00 11.11 H new ATOM 0 HD3 PRO A 84 12.270 6.468 12.018 1.00 11.11 H new ATOM 1429 N LEU A 85 13.224 3.068 7.544 1.00 21.32 N ATOM 1430 CA LEU A 85 12.768 1.901 6.764 1.00 12.43 C ATOM 1431 C LEU A 85 13.191 0.555 7.436 1.00 44.12 C ATOM 1432 O LEU A 85 14.385 0.332 7.647 1.00 70.03 O ATOM 1433 CB LEU A 85 13.340 1.981 5.326 1.00 51.44 C ATOM 1434 CG LEU A 85 12.731 0.973 4.313 1.00 21.25 C ATOM 1435 CD1 LEU A 85 11.213 1.226 4.127 1.00 33.51 C ATOM 1436 CD2 LEU A 85 13.487 1.011 2.964 1.00 15.52 C ATOM 0 H LEU A 85 14.147 3.406 7.273 1.00 21.32 H new ATOM 0 HA LEU A 85 11.679 1.923 6.729 1.00 12.43 H new ATOM 0 HB2 LEU A 85 13.185 2.991 4.946 1.00 51.44 H new ATOM 0 HB3 LEU A 85 14.417 1.820 5.371 1.00 51.44 H new ATOM 0 HG LEU A 85 12.849 -0.031 4.721 1.00 21.25 H new ATOM 0 HD11 LEU A 85 10.809 0.508 3.413 1.00 33.51 H new ATOM 0 HD12 LEU A 85 10.705 1.111 5.084 1.00 33.51 H new ATOM 0 HD13 LEU A 85 11.056 2.237 3.752 1.00 33.51 H new ATOM 0 HD21 LEU A 85 13.038 0.295 2.275 1.00 15.52 H new ATOM 0 HD22 LEU A 85 13.423 2.013 2.539 1.00 15.52 H new ATOM 0 HD23 LEU A 85 14.533 0.752 3.126 1.00 15.52 H new ATOM 1448 N PRO A 86 12.210 -0.350 7.788 1.00 13.51 N ATOM 1449 CA PRO A 86 12.496 -1.712 8.336 1.00 35.24 C ATOM 1450 C PRO A 86 13.054 -2.708 7.280 1.00 45.53 C ATOM 1451 O PRO A 86 13.069 -2.418 6.080 1.00 43.10 O ATOM 1452 CB PRO A 86 11.110 -2.190 8.881 1.00 55.01 C ATOM 1453 CG PRO A 86 10.258 -0.955 8.889 1.00 14.10 C ATOM 1454 CD PRO A 86 10.752 -0.122 7.731 1.00 0.04 C ATOM 0 HA PRO A 86 13.278 -1.673 9.094 1.00 35.24 H new ATOM 0 HB2 PRO A 86 10.680 -2.964 8.245 1.00 55.01 H new ATOM 0 HB3 PRO A 86 11.202 -2.614 9.881 1.00 55.01 H new ATOM 0 HG2 PRO A 86 9.203 -1.204 8.772 1.00 14.10 H new ATOM 0 HG3 PRO A 86 10.356 -0.416 9.831 1.00 14.10 H new ATOM 0 HD2 PRO A 86 10.325 -0.448 6.783 1.00 0.04 H new ATOM 0 HD3 PRO A 86 10.499 0.932 7.849 1.00 0.04 H new ATOM 1462 N ASP A 87 13.440 -3.908 7.762 1.00 62.14 N ATOM 1463 CA ASP A 87 14.194 -4.922 6.977 1.00 13.13 C ATOM 1464 C ASP A 87 13.358 -5.543 5.824 1.00 41.32 C ATOM 1465 O ASP A 87 13.838 -5.643 4.688 1.00 51.51 O ATOM 1466 CB ASP A 87 14.697 -6.044 7.922 1.00 33.22 C ATOM 1467 CG ASP A 87 15.433 -5.506 9.161 1.00 4.21 C ATOM 1468 OD1 ASP A 87 14.757 -5.181 10.164 1.00 43.41 O ATOM 1469 OD2 ASP A 87 16.679 -5.408 9.145 1.00 70.53 O ATOM 0 H ASP A 87 13.238 -4.208 8.716 1.00 62.14 H new ATOM 0 HA ASP A 87 15.036 -4.406 6.516 1.00 13.13 H new ATOM 0 HB2 ASP A 87 13.848 -6.647 8.245 1.00 33.22 H new ATOM 0 HB3 ASP A 87 15.365 -6.704 7.369 1.00 33.22 H new ATOM 1474 N LYS A 88 12.112 -5.971 6.131 1.00 52.34 N ATOM 1475 CA LYS A 88 11.202 -6.588 5.121 1.00 64.14 C ATOM 1476 C LYS A 88 10.724 -5.594 4.027 1.00 33.31 C ATOM 1477 O LYS A 88 10.210 -6.015 2.983 1.00 13.31 O ATOM 1478 CB LYS A 88 9.985 -7.273 5.807 1.00 43.03 C ATOM 1479 CG LYS A 88 9.084 -6.361 6.687 1.00 5.32 C ATOM 1480 CD LYS A 88 7.801 -7.104 7.146 1.00 55.42 C ATOM 1481 CE LYS A 88 6.988 -6.347 8.209 1.00 51.24 C ATOM 1482 NZ LYS A 88 6.552 -5.012 7.754 1.00 71.14 N ATOM 0 H LYS A 88 11.709 -5.904 7.065 1.00 52.34 H new ATOM 0 HA LYS A 88 11.796 -7.346 4.610 1.00 64.14 H new ATOM 0 HB2 LYS A 88 9.364 -7.721 5.032 1.00 43.03 H new ATOM 0 HB3 LYS A 88 10.357 -8.088 6.428 1.00 43.03 H new ATOM 0 HG2 LYS A 88 9.645 -6.027 7.560 1.00 5.32 H new ATOM 0 HG3 LYS A 88 8.808 -5.469 6.125 1.00 5.32 H new ATOM 0 HD2 LYS A 88 7.167 -7.284 6.278 1.00 55.42 H new ATOM 0 HD3 LYS A 88 8.081 -8.080 7.544 1.00 55.42 H new ATOM 0 HE2 LYS A 88 6.112 -6.938 8.478 1.00 51.24 H new ATOM 0 HE3 LYS A 88 7.590 -6.239 9.111 1.00 51.24 H new ATOM 0 HZ1 LYS A 88 6.874 -4.292 8.432 1.00 71.14 H new ATOM 0 HZ2 LYS A 88 6.960 -4.814 6.818 1.00 71.14 H new ATOM 0 HZ3 LYS A 88 5.514 -4.989 7.691 1.00 71.14 H new ATOM 1496 N TRP A 89 10.882 -4.277 4.276 1.00 45.01 N ATOM 1497 CA TRP A 89 10.575 -3.228 3.277 1.00 51.42 C ATOM 1498 C TRP A 89 11.858 -2.708 2.596 1.00 14.34 C ATOM 1499 O TRP A 89 11.793 -2.083 1.528 1.00 72.32 O ATOM 1500 CB TRP A 89 9.774 -2.079 3.928 1.00 11.21 C ATOM 1501 CG TRP A 89 8.465 -2.531 4.550 1.00 44.35 C ATOM 1502 CD1 TRP A 89 8.086 -2.400 5.854 1.00 2.41 C ATOM 1503 CD2 TRP A 89 7.387 -3.227 3.891 1.00 61.43 C ATOM 1504 NE1 TRP A 89 6.834 -2.924 6.036 1.00 5.35 N ATOM 1505 CE2 TRP A 89 6.396 -3.460 4.854 1.00 21.24 C ATOM 1506 CE3 TRP A 89 7.169 -3.678 2.576 1.00 40.11 C ATOM 1507 CZ2 TRP A 89 5.205 -4.118 4.553 1.00 53.22 C ATOM 1508 CZ3 TRP A 89 5.990 -4.326 2.277 1.00 73.21 C ATOM 1509 CH2 TRP A 89 5.022 -4.548 3.263 1.00 11.22 C ATOM 0 H TRP A 89 11.222 -3.912 5.166 1.00 45.01 H new ATOM 0 HA TRP A 89 9.956 -3.672 2.497 1.00 51.42 H new ATOM 0 HB2 TRP A 89 10.388 -1.608 4.695 1.00 11.21 H new ATOM 0 HB3 TRP A 89 9.566 -1.319 3.175 1.00 11.21 H new ATOM 0 HD1 TRP A 89 8.686 -1.949 6.630 1.00 2.41 H new ATOM 0 HE1 TRP A 89 6.311 -2.916 6.912 1.00 5.35 H new ATOM 0 HE3 TRP A 89 7.915 -3.519 1.812 1.00 40.11 H new ATOM 0 HZ2 TRP A 89 4.452 -4.284 5.309 1.00 53.22 H new ATOM 0 HZ3 TRP A 89 5.811 -4.667 1.268 1.00 73.21 H new ATOM 0 HH2 TRP A 89 4.112 -5.069 3.003 1.00 11.22 H new ATOM 1520 N ALA A 90 13.020 -2.975 3.223 1.00 21.22 N ATOM 1521 CA ALA A 90 14.336 -2.699 2.625 1.00 3.11 C ATOM 1522 C ALA A 90 14.546 -3.584 1.372 1.00 40.32 C ATOM 1523 O ALA A 90 14.643 -4.818 1.485 1.00 15.32 O ATOM 1524 CB ALA A 90 15.457 -2.916 3.658 1.00 23.35 C ATOM 0 H ALA A 90 13.071 -3.387 4.155 1.00 21.22 H new ATOM 0 HA ALA A 90 14.371 -1.655 2.314 1.00 3.11 H new ATOM 0 HB1 ALA A 90 16.422 -2.707 3.197 1.00 23.35 H new ATOM 0 HB2 ALA A 90 15.307 -2.246 4.504 1.00 23.35 H new ATOM 0 HB3 ALA A 90 15.437 -3.949 4.005 1.00 23.35 H new ATOM 1530 N ASN A 91 14.558 -2.925 0.191 1.00 54.03 N ATOM 1531 CA ASN A 91 14.680 -3.564 -1.146 1.00 33.34 C ATOM 1532 C ASN A 91 13.410 -4.374 -1.544 1.00 13.44 C ATOM 1533 O ASN A 91 13.479 -5.268 -2.395 1.00 3.45 O ATOM 1534 CB ASN A 91 15.978 -4.419 -1.258 1.00 15.32 C ATOM 1535 CG ASN A 91 17.256 -3.603 -1.013 1.00 51.11 C ATOM 1536 OD1 ASN A 91 17.314 -2.410 -1.291 1.00 14.24 O ATOM 1537 ND2 ASN A 91 18.282 -4.236 -0.487 1.00 14.02 N ATOM 0 H ASN A 91 14.481 -1.909 0.136 1.00 54.03 H new ATOM 0 HA ASN A 91 14.761 -2.754 -1.871 1.00 33.34 H new ATOM 0 HB2 ASN A 91 15.932 -5.236 -0.538 1.00 15.32 H new ATOM 0 HB3 ASN A 91 16.025 -4.870 -2.249 1.00 15.32 H new ATOM 0 HD21 ASN A 91 19.150 -3.734 -0.302 1.00 14.02 H new ATOM 0 HD22 ASN A 91 18.209 -5.229 -0.264 1.00 14.02 H new ATOM 1544 N SER A 92 12.247 -4.022 -0.953 1.00 41.23 N ATOM 1545 CA SER A 92 10.925 -4.565 -1.380 1.00 71.14 C ATOM 1546 C SER A 92 10.417 -3.797 -2.613 1.00 4.25 C ATOM 1547 O SER A 92 10.391 -2.558 -2.597 1.00 2.35 O ATOM 1548 CB SER A 92 9.884 -4.459 -0.238 1.00 1.53 C ATOM 1549 OG SER A 92 8.604 -4.937 -0.639 1.00 1.03 O ATOM 0 H SER A 92 12.190 -3.363 -0.176 1.00 41.23 H new ATOM 0 HA SER A 92 11.056 -5.618 -1.631 1.00 71.14 H new ATOM 0 HB2 SER A 92 10.231 -5.030 0.623 1.00 1.53 H new ATOM 0 HB3 SER A 92 9.800 -3.420 0.081 1.00 1.53 H new ATOM 0 HG SER A 92 8.020 -5.006 0.145 1.00 1.03 H new ATOM 1555 N LYS A 93 10.007 -4.519 -3.679 1.00 14.12 N ATOM 1556 CA LYS A 93 9.545 -3.872 -4.928 1.00 20.22 C ATOM 1557 C LYS A 93 8.215 -3.121 -4.703 1.00 55.52 C ATOM 1558 O LYS A 93 8.053 -2.026 -5.222 1.00 32.04 O ATOM 1559 CB LYS A 93 9.406 -4.871 -6.114 1.00 65.41 C ATOM 1560 CG LYS A 93 9.204 -4.164 -7.484 1.00 64.42 C ATOM 1561 CD LYS A 93 9.081 -5.135 -8.684 1.00 13.12 C ATOM 1562 CE LYS A 93 7.748 -5.892 -8.712 1.00 52.51 C ATOM 1563 NZ LYS A 93 6.592 -4.974 -8.860 1.00 63.22 N ATOM 0 H LYS A 93 9.986 -5.539 -3.701 1.00 14.12 H new ATOM 0 HA LYS A 93 10.318 -3.155 -5.204 1.00 20.22 H new ATOM 0 HB2 LYS A 93 10.298 -5.496 -6.162 1.00 65.41 H new ATOM 0 HB3 LYS A 93 8.562 -5.534 -5.926 1.00 65.41 H new ATOM 0 HG2 LYS A 93 8.305 -3.549 -7.434 1.00 64.42 H new ATOM 0 HG3 LYS A 93 10.042 -3.490 -7.660 1.00 64.42 H new ATOM 0 HD2 LYS A 93 9.192 -4.573 -9.611 1.00 13.12 H new ATOM 0 HD3 LYS A 93 9.899 -5.854 -8.647 1.00 13.12 H new ATOM 0 HE2 LYS A 93 7.753 -6.605 -9.536 1.00 52.51 H new ATOM 0 HE3 LYS A 93 7.639 -6.468 -7.793 1.00 52.51 H new ATOM 0 HZ1 LYS A 93 5.731 -5.527 -9.044 1.00 63.22 H new ATOM 0 HZ2 LYS A 93 6.470 -4.425 -7.985 1.00 63.22 H new ATOM 0 HZ3 LYS A 93 6.763 -4.325 -9.655 1.00 63.22 H new ATOM 1577 N LEU A 94 7.305 -3.707 -3.883 1.00 4.21 N ATOM 1578 CA LEU A 94 5.994 -3.091 -3.514 1.00 43.24 C ATOM 1579 C LEU A 94 6.169 -1.654 -2.974 1.00 51.13 C ATOM 1580 O LEU A 94 5.396 -0.745 -3.305 1.00 2.04 O ATOM 1581 CB LEU A 94 5.282 -3.942 -2.429 1.00 43.34 C ATOM 1582 CG LEU A 94 3.917 -3.373 -1.902 1.00 51.31 C ATOM 1583 CD1 LEU A 94 2.781 -3.534 -2.937 1.00 42.02 C ATOM 1584 CD2 LEU A 94 3.537 -3.983 -0.540 1.00 1.10 C ATOM 0 H LEU A 94 7.455 -4.621 -3.456 1.00 4.21 H new ATOM 0 HA LEU A 94 5.392 -3.057 -4.422 1.00 43.24 H new ATOM 0 HB2 LEU A 94 5.107 -4.939 -2.833 1.00 43.34 H new ATOM 0 HB3 LEU A 94 5.958 -4.056 -1.582 1.00 43.34 H new ATOM 0 HG LEU A 94 4.057 -2.302 -1.752 1.00 51.31 H new ATOM 0 HD11 LEU A 94 1.856 -3.126 -2.529 1.00 42.02 H new ATOM 0 HD12 LEU A 94 3.042 -2.998 -3.850 1.00 42.02 H new ATOM 0 HD13 LEU A 94 2.643 -4.591 -3.164 1.00 42.02 H new ATOM 0 HD21 LEU A 94 2.587 -3.566 -0.207 1.00 1.10 H new ATOM 0 HD22 LEU A 94 3.443 -5.064 -0.639 1.00 1.10 H new ATOM 0 HD23 LEU A 94 4.311 -3.751 0.191 1.00 1.10 H new ATOM 1596 N LEU A 95 7.198 -1.490 -2.126 1.00 33.41 N ATOM 1597 CA LEU A 95 7.594 -0.185 -1.586 1.00 52.34 C ATOM 1598 C LEU A 95 7.934 0.817 -2.719 1.00 2.10 C ATOM 1599 O LEU A 95 7.418 1.924 -2.736 1.00 10.02 O ATOM 1600 CB LEU A 95 8.810 -0.330 -0.646 1.00 23.13 C ATOM 1601 CG LEU A 95 9.360 1.013 -0.080 1.00 12.34 C ATOM 1602 CD1 LEU A 95 8.327 1.700 0.831 1.00 34.31 C ATOM 1603 CD2 LEU A 95 10.707 0.817 0.624 1.00 32.43 C ATOM 0 H LEU A 95 7.778 -2.262 -1.797 1.00 33.41 H new ATOM 0 HA LEU A 95 6.746 0.203 -1.022 1.00 52.34 H new ATOM 0 HB2 LEU A 95 8.532 -0.973 0.189 1.00 23.13 H new ATOM 0 HB3 LEU A 95 9.611 -0.836 -1.186 1.00 23.13 H new ATOM 0 HG LEU A 95 9.538 1.680 -0.924 1.00 12.34 H new ATOM 0 HD11 LEU A 95 8.741 2.634 1.210 1.00 34.31 H new ATOM 0 HD12 LEU A 95 7.421 1.909 0.261 1.00 34.31 H new ATOM 0 HD13 LEU A 95 8.086 1.044 1.668 1.00 34.31 H new ATOM 0 HD21 LEU A 95 11.061 1.775 1.006 1.00 32.43 H new ATOM 0 HD22 LEU A 95 10.587 0.118 1.452 1.00 32.43 H new ATOM 0 HD23 LEU A 95 11.433 0.419 -0.085 1.00 32.43 H new ATOM 1615 N LYS A 96 8.800 0.392 -3.657 1.00 61.51 N ATOM 1616 CA LYS A 96 9.237 1.239 -4.795 1.00 64.42 C ATOM 1617 C LYS A 96 8.071 1.561 -5.763 1.00 33.42 C ATOM 1618 O LYS A 96 8.045 2.638 -6.352 1.00 31.42 O ATOM 1619 CB LYS A 96 10.427 0.580 -5.539 1.00 64.44 C ATOM 1620 CG LYS A 96 11.781 0.709 -4.804 1.00 20.50 C ATOM 1621 CD LYS A 96 12.961 0.085 -5.598 1.00 14.05 C ATOM 1622 CE LYS A 96 14.341 0.488 -5.039 1.00 71.43 C ATOM 1623 NZ LYS A 96 14.542 0.048 -3.633 1.00 73.20 N ATOM 0 H LYS A 96 9.217 -0.539 -3.653 1.00 61.51 H new ATOM 0 HA LYS A 96 9.575 2.191 -4.386 1.00 64.42 H new ATOM 0 HB2 LYS A 96 10.207 -0.477 -5.690 1.00 64.44 H new ATOM 0 HB3 LYS A 96 10.518 1.031 -6.527 1.00 64.44 H new ATOM 0 HG2 LYS A 96 11.990 1.763 -4.620 1.00 20.50 H new ATOM 0 HG3 LYS A 96 11.708 0.224 -3.830 1.00 20.50 H new ATOM 0 HD2 LYS A 96 12.870 -1.001 -5.580 1.00 14.05 H new ATOM 0 HD3 LYS A 96 12.893 0.393 -6.641 1.00 14.05 H new ATOM 0 HE2 LYS A 96 15.122 0.057 -5.665 1.00 71.43 H new ATOM 0 HE3 LYS A 96 14.449 1.571 -5.095 1.00 71.43 H new ATOM 0 HZ1 LYS A 96 15.484 0.344 -3.308 1.00 73.20 H new ATOM 0 HZ2 LYS A 96 13.815 0.479 -3.027 1.00 73.20 H new ATOM 0 HZ3 LYS A 96 14.467 -0.988 -3.579 1.00 73.20 H new ATOM 1637 N GLN A 97 7.105 0.632 -5.891 1.00 73.40 N ATOM 1638 CA GLN A 97 5.840 0.863 -6.637 1.00 32.51 C ATOM 1639 C GLN A 97 5.037 2.022 -5.973 1.00 60.04 C ATOM 1640 O GLN A 97 4.504 2.907 -6.646 1.00 73.11 O ATOM 1641 CB GLN A 97 4.974 -0.440 -6.644 1.00 60.21 C ATOM 1642 CG GLN A 97 5.650 -1.708 -7.217 1.00 72.25 C ATOM 1643 CD GLN A 97 5.946 -1.655 -8.717 1.00 54.52 C ATOM 1644 OE1 GLN A 97 6.993 -1.185 -9.150 1.00 10.33 O ATOM 1645 NE2 GLN A 97 5.039 -2.167 -9.527 1.00 34.31 N ATOM 0 H GLN A 97 7.173 -0.300 -5.483 1.00 73.40 H new ATOM 0 HA GLN A 97 6.082 1.135 -7.664 1.00 32.51 H new ATOM 0 HB2 GLN A 97 4.664 -0.650 -5.620 1.00 60.21 H new ATOM 0 HB3 GLN A 97 4.068 -0.246 -7.218 1.00 60.21 H new ATOM 0 HG2 GLN A 97 6.585 -1.878 -6.682 1.00 72.25 H new ATOM 0 HG3 GLN A 97 5.008 -2.566 -7.018 1.00 72.25 H new ATOM 0 HE21 GLN A 97 4.175 -2.553 -9.146 1.00 34.31 H new ATOM 0 HE22 GLN A 97 5.202 -2.177 -10.534 1.00 34.31 H new ATOM 1654 N LEU A 98 4.993 1.980 -4.628 1.00 21.23 N ATOM 1655 CA LEU A 98 4.278 2.959 -3.770 1.00 73.03 C ATOM 1656 C LEU A 98 4.996 4.343 -3.751 1.00 40.54 C ATOM 1657 O LEU A 98 4.347 5.394 -3.686 1.00 72.03 O ATOM 1658 CB LEU A 98 4.177 2.361 -2.335 1.00 34.15 C ATOM 1659 CG LEU A 98 3.305 3.137 -1.302 1.00 1.15 C ATOM 1660 CD1 LEU A 98 1.825 3.172 -1.727 1.00 73.34 C ATOM 1661 CD2 LEU A 98 3.469 2.547 0.122 1.00 54.04 C ATOM 0 H LEU A 98 5.462 1.251 -4.091 1.00 21.23 H new ATOM 0 HA LEU A 98 3.281 3.136 -4.174 1.00 73.03 H new ATOM 0 HB2 LEU A 98 3.783 1.348 -2.418 1.00 34.15 H new ATOM 0 HB3 LEU A 98 5.186 2.278 -1.931 1.00 34.15 H new ATOM 0 HG LEU A 98 3.661 4.167 -1.278 1.00 1.15 H new ATOM 0 HD11 LEU A 98 1.246 3.721 -0.984 1.00 73.34 H new ATOM 0 HD12 LEU A 98 1.736 3.666 -2.694 1.00 73.34 H new ATOM 0 HD13 LEU A 98 1.444 2.154 -1.804 1.00 73.34 H new ATOM 0 HD21 LEU A 98 2.849 3.108 0.822 1.00 54.04 H new ATOM 0 HD22 LEU A 98 3.160 1.502 0.121 1.00 54.04 H new ATOM 0 HD23 LEU A 98 4.513 2.616 0.426 1.00 54.04 H new ATOM 1673 N GLN A 99 6.342 4.311 -3.811 1.00 64.01 N ATOM 1674 CA GLN A 99 7.200 5.522 -3.873 1.00 1.24 C ATOM 1675 C GLN A 99 7.034 6.262 -5.215 1.00 45.40 C ATOM 1676 O GLN A 99 6.936 7.494 -5.243 1.00 14.23 O ATOM 1677 CB GLN A 99 8.691 5.143 -3.642 1.00 31.14 C ATOM 1678 CG GLN A 99 9.011 4.631 -2.222 1.00 75.54 C ATOM 1679 CD GLN A 99 10.468 4.192 -2.025 1.00 1.43 C ATOM 1680 OE1 GLN A 99 11.129 3.731 -2.952 1.00 63.12 O ATOM 1681 NE2 GLN A 99 10.985 4.324 -0.814 1.00 24.43 N ATOM 0 H GLN A 99 6.873 3.440 -3.818 1.00 64.01 H new ATOM 0 HA GLN A 99 6.881 6.197 -3.079 1.00 1.24 H new ATOM 0 HB2 GLN A 99 8.973 4.376 -4.363 1.00 31.14 H new ATOM 0 HB3 GLN A 99 9.310 6.016 -3.847 1.00 31.14 H new ATOM 0 HG2 GLN A 99 8.780 5.418 -1.504 1.00 75.54 H new ATOM 0 HG3 GLN A 99 8.356 3.790 -1.995 1.00 75.54 H new ATOM 0 HE21 GLN A 99 10.420 4.709 -0.057 1.00 24.43 H new ATOM 0 HE22 GLN A 99 11.949 4.041 -0.637 1.00 24.43 H new ATOM 1690 N GLU A 100 6.997 5.491 -6.317 1.00 23.43 N ATOM 1691 CA GLU A 100 6.732 6.031 -7.668 1.00 53.41 C ATOM 1692 C GLU A 100 5.302 6.600 -7.761 1.00 41.10 C ATOM 1693 O GLU A 100 5.087 7.642 -8.380 1.00 64.13 O ATOM 1694 CB GLU A 100 6.957 4.944 -8.752 1.00 41.34 C ATOM 1695 CG GLU A 100 8.412 4.455 -8.864 1.00 53.43 C ATOM 1696 CD GLU A 100 8.600 3.386 -9.952 1.00 3.41 C ATOM 1697 OE1 GLU A 100 8.283 2.205 -9.702 1.00 74.01 O ATOM 1698 OE2 GLU A 100 9.056 3.724 -11.068 1.00 32.51 O ATOM 0 H GLU A 100 7.149 4.482 -6.300 1.00 23.43 H new ATOM 0 HA GLU A 100 7.436 6.844 -7.848 1.00 53.41 H new ATOM 0 HB2 GLU A 100 6.315 4.091 -8.534 1.00 41.34 H new ATOM 0 HB3 GLU A 100 6.643 5.340 -9.718 1.00 41.34 H new ATOM 0 HG2 GLU A 100 9.060 5.304 -9.080 1.00 53.43 H new ATOM 0 HG3 GLU A 100 8.729 4.049 -7.903 1.00 53.43 H new ATOM 1705 N PHE A 101 4.335 5.915 -7.115 1.00 45.32 N ATOM 1706 CA PHE A 101 2.936 6.393 -7.034 1.00 62.01 C ATOM 1707 C PHE A 101 2.840 7.748 -6.291 1.00 50.24 C ATOM 1708 O PHE A 101 2.065 8.630 -6.693 1.00 54.03 O ATOM 1709 CB PHE A 101 2.005 5.353 -6.350 1.00 53.32 C ATOM 1710 CG PHE A 101 0.563 5.855 -6.255 1.00 42.33 C ATOM 1711 CD1 PHE A 101 -0.260 5.847 -7.378 1.00 61.44 C ATOM 1712 CD2 PHE A 101 0.064 6.424 -5.078 1.00 70.01 C ATOM 1713 CE1 PHE A 101 -1.529 6.378 -7.329 1.00 13.12 C ATOM 1714 CE2 PHE A 101 -1.200 6.972 -5.037 1.00 14.30 C ATOM 1715 CZ PHE A 101 -1.998 6.946 -6.159 1.00 24.44 C ATOM 0 H PHE A 101 4.497 5.027 -6.640 1.00 45.32 H new ATOM 0 HA PHE A 101 2.599 6.532 -8.061 1.00 62.01 H new ATOM 0 HB2 PHE A 101 2.028 4.420 -6.912 1.00 53.32 H new ATOM 0 HB3 PHE A 101 2.379 5.132 -5.350 1.00 53.32 H new ATOM 0 HD1 PHE A 101 0.102 5.418 -8.301 1.00 61.44 H new ATOM 0 HD2 PHE A 101 0.678 6.434 -4.189 1.00 70.01 H new ATOM 0 HE1 PHE A 101 -2.159 6.351 -8.206 1.00 13.12 H new ATOM 0 HE2 PHE A 101 -1.564 7.422 -4.125 1.00 14.30 H new ATOM 0 HZ PHE A 101 -2.991 7.370 -6.125 1.00 24.44 H new ATOM 1725 N SER A 102 3.616 7.888 -5.203 1.00 74.51 N ATOM 1726 CA SER A 102 3.638 9.121 -4.378 1.00 15.03 C ATOM 1727 C SER A 102 4.034 10.374 -5.209 1.00 25.31 C ATOM 1728 O SER A 102 3.585 11.492 -4.924 1.00 13.11 O ATOM 1729 CB SER A 102 4.593 8.946 -3.179 1.00 24.30 C ATOM 1730 OG SER A 102 4.544 10.066 -2.308 1.00 44.20 O ATOM 0 H SER A 102 4.244 7.158 -4.867 1.00 74.51 H new ATOM 0 HA SER A 102 2.626 9.284 -4.009 1.00 15.03 H new ATOM 0 HB2 SER A 102 4.326 8.044 -2.629 1.00 24.30 H new ATOM 0 HB3 SER A 102 5.612 8.809 -3.541 1.00 24.30 H new ATOM 0 HG SER A 102 5.310 10.651 -2.485 1.00 44.20 H new ATOM 1736 N GLU A 103 4.846 10.156 -6.266 1.00 54.03 N ATOM 1737 CA GLU A 103 5.297 11.230 -7.199 1.00 52.43 C ATOM 1738 C GLU A 103 4.169 11.664 -8.186 1.00 24.34 C ATOM 1739 O GLU A 103 4.291 12.687 -8.863 1.00 64.33 O ATOM 1740 CB GLU A 103 6.549 10.750 -7.992 1.00 25.10 C ATOM 1741 CG GLU A 103 7.635 10.099 -7.117 1.00 74.35 C ATOM 1742 CD GLU A 103 8.909 9.704 -7.887 1.00 11.14 C ATOM 1743 OE1 GLU A 103 8.900 8.663 -8.586 1.00 53.31 O ATOM 1744 OE2 GLU A 103 9.928 10.420 -7.789 1.00 51.42 O ATOM 0 H GLU A 103 5.211 9.234 -6.503 1.00 54.03 H new ATOM 0 HA GLU A 103 5.555 12.102 -6.598 1.00 52.43 H new ATOM 0 HB2 GLU A 103 6.233 10.035 -8.752 1.00 25.10 H new ATOM 0 HB3 GLU A 103 6.982 11.602 -8.516 1.00 25.10 H new ATOM 0 HG2 GLU A 103 7.905 10.790 -6.318 1.00 74.35 H new ATOM 0 HG3 GLU A 103 7.220 9.210 -6.643 1.00 74.35 H new ATOM 1751 N ASN A 104 3.088 10.861 -8.264 1.00 3.15 N ATOM 1752 CA ASN A 104 1.897 11.130 -9.132 1.00 40.31 C ATOM 1753 C ASN A 104 0.672 11.625 -8.306 1.00 2.12 C ATOM 1754 O ASN A 104 -0.437 11.738 -8.833 1.00 52.32 O ATOM 1755 CB ASN A 104 1.534 9.841 -9.928 1.00 21.30 C ATOM 1756 CG ASN A 104 2.639 9.438 -10.905 1.00 2.51 C ATOM 1757 OD1 ASN A 104 2.628 9.811 -12.068 1.00 51.11 O ATOM 1758 ND2 ASN A 104 3.615 8.694 -10.428 1.00 11.33 N ATOM 0 H ASN A 104 3.005 9.998 -7.727 1.00 3.15 H new ATOM 0 HA ASN A 104 2.157 11.929 -9.826 1.00 40.31 H new ATOM 0 HB2 ASN A 104 1.352 9.024 -9.230 1.00 21.30 H new ATOM 0 HB3 ASN A 104 0.607 10.004 -10.477 1.00 21.30 H new ATOM 0 HD21 ASN A 104 4.387 8.415 -11.034 1.00 11.33 H new ATOM 0 HD22 ASN A 104 3.599 8.396 -9.453 1.00 11.33 H new ATOM 1765 N LYS A 105 0.893 11.956 -7.019 1.00 0.43 N ATOM 1766 CA LYS A 105 -0.156 12.510 -6.107 1.00 31.32 C ATOM 1767 C LYS A 105 -0.262 14.060 -6.207 1.00 34.21 C ATOM 1768 O LYS A 105 -0.662 14.737 -5.255 1.00 35.30 O ATOM 1769 CB LYS A 105 0.156 12.053 -4.653 1.00 4.01 C ATOM 1770 CG LYS A 105 -0.181 10.572 -4.388 1.00 42.44 C ATOM 1771 CD LYS A 105 0.302 10.061 -3.009 1.00 12.40 C ATOM 1772 CE LYS A 105 -0.126 10.943 -1.818 1.00 64.35 C ATOM 1773 NZ LYS A 105 -1.596 11.129 -1.747 1.00 73.22 N ATOM 0 H LYS A 105 1.803 11.851 -6.570 1.00 0.43 H new ATOM 0 HA LYS A 105 -1.128 12.123 -6.411 1.00 31.32 H new ATOM 0 HB2 LYS A 105 1.213 12.219 -4.447 1.00 4.01 H new ATOM 0 HB3 LYS A 105 -0.406 12.675 -3.957 1.00 4.01 H new ATOM 0 HG2 LYS A 105 -1.260 10.436 -4.458 1.00 42.44 H new ATOM 0 HG3 LYS A 105 0.269 9.961 -5.170 1.00 42.44 H new ATOM 0 HD2 LYS A 105 -0.081 9.052 -2.854 1.00 12.40 H new ATOM 0 HD3 LYS A 105 1.390 9.991 -3.021 1.00 12.40 H new ATOM 0 HE2 LYS A 105 0.225 10.490 -0.891 1.00 64.35 H new ATOM 0 HE3 LYS A 105 0.357 11.917 -1.900 1.00 64.35 H new ATOM 0 HZ1 LYS A 105 -1.830 12.124 -1.937 1.00 73.22 H new ATOM 0 HZ2 LYS A 105 -2.057 10.523 -2.456 1.00 73.22 H new ATOM 0 HZ3 LYS A 105 -1.933 10.870 -0.798 1.00 73.22 H new ATOM 1787 N GLU A 106 0.020 14.584 -7.407 1.00 75.10 N ATOM 1788 CA GLU A 106 0.087 16.035 -7.702 1.00 42.22 C ATOM 1789 C GLU A 106 -1.299 16.624 -8.092 1.00 44.25 C ATOM 1790 O GLU A 106 -1.469 17.852 -8.125 1.00 42.33 O ATOM 1791 CB GLU A 106 1.087 16.248 -8.873 1.00 54.42 C ATOM 1792 CG GLU A 106 2.474 15.604 -8.658 1.00 31.12 C ATOM 1793 CD GLU A 106 3.354 15.621 -9.923 1.00 63.22 C ATOM 1794 OE1 GLU A 106 2.953 14.999 -10.932 1.00 20.22 O ATOM 1795 OE2 GLU A 106 4.442 16.239 -9.918 1.00 20.20 O ATOM 0 H GLU A 106 0.213 14.004 -8.223 1.00 75.10 H new ATOM 0 HA GLU A 106 0.415 16.554 -6.801 1.00 42.22 H new ATOM 0 HB2 GLU A 106 0.650 15.842 -9.785 1.00 54.42 H new ATOM 0 HB3 GLU A 106 1.218 17.318 -9.031 1.00 54.42 H new ATOM 0 HG2 GLU A 106 2.992 16.131 -7.856 1.00 31.12 H new ATOM 0 HG3 GLU A 106 2.342 14.573 -8.329 1.00 31.12 H new ATOM 1802 N LYS A 107 -2.283 15.740 -8.376 1.00 42.41 N ATOM 1803 CA LYS A 107 -3.597 16.131 -8.925 1.00 70.00 C ATOM 1804 C LYS A 107 -4.521 16.763 -7.848 1.00 72.22 C ATOM 1805 O LYS A 107 -5.297 16.091 -7.160 1.00 13.03 O ATOM 1806 CB LYS A 107 -4.261 14.952 -9.679 1.00 63.31 C ATOM 1807 CG LYS A 107 -4.422 13.636 -8.886 1.00 55.21 C ATOM 1808 CD LYS A 107 -4.905 12.483 -9.789 1.00 34.42 C ATOM 1809 CE LYS A 107 -6.308 12.726 -10.383 1.00 12.23 C ATOM 1810 NZ LYS A 107 -6.683 11.676 -11.357 1.00 44.12 N ATOM 0 H LYS A 107 -2.186 14.735 -8.230 1.00 42.41 H new ATOM 0 HA LYS A 107 -3.427 16.918 -9.660 1.00 70.00 H new ATOM 0 HB2 LYS A 107 -5.248 15.272 -10.014 1.00 63.31 H new ATOM 0 HB3 LYS A 107 -3.673 14.743 -10.573 1.00 63.31 H new ATOM 0 HG2 LYS A 107 -3.469 13.367 -8.430 1.00 55.21 H new ATOM 0 HG3 LYS A 107 -5.133 13.785 -8.074 1.00 55.21 H new ATOM 0 HD2 LYS A 107 -4.192 12.343 -10.602 1.00 34.42 H new ATOM 0 HD3 LYS A 107 -4.916 11.558 -9.212 1.00 34.42 H new ATOM 0 HE2 LYS A 107 -7.043 12.755 -9.579 1.00 12.23 H new ATOM 0 HE3 LYS A 107 -6.332 13.700 -10.872 1.00 12.23 H new ATOM 0 HZ1 LYS A 107 -7.632 11.875 -11.734 1.00 44.12 H new ATOM 0 HZ2 LYS A 107 -5.996 11.665 -12.138 1.00 44.12 H new ATOM 0 HZ3 LYS A 107 -6.685 10.749 -10.885 1.00 44.12 H new ATOM 1824 N GLU A 108 -4.364 18.075 -7.695 1.00 41.31 N ATOM 1825 CA GLU A 108 -5.183 18.918 -6.800 1.00 64.10 C ATOM 1826 C GLU A 108 -6.472 19.425 -7.503 1.00 44.35 C ATOM 1827 O GLU A 108 -6.605 19.353 -8.733 1.00 24.11 O ATOM 1828 CB GLU A 108 -4.319 20.112 -6.300 1.00 73.13 C ATOM 1829 CG GLU A 108 -3.681 20.948 -7.435 1.00 22.43 C ATOM 1830 CD GLU A 108 -2.770 22.082 -6.936 1.00 64.05 C ATOM 1831 OE1 GLU A 108 -1.644 21.793 -6.476 1.00 60.34 O ATOM 1832 OE2 GLU A 108 -3.168 23.264 -7.006 1.00 30.42 O ATOM 0 H GLU A 108 -3.650 18.603 -8.197 1.00 41.31 H new ATOM 0 HA GLU A 108 -5.505 18.315 -5.951 1.00 64.10 H new ATOM 0 HB2 GLU A 108 -4.941 20.765 -5.687 1.00 73.13 H new ATOM 0 HB3 GLU A 108 -3.527 19.729 -5.656 1.00 73.13 H new ATOM 0 HG2 GLU A 108 -3.102 20.286 -8.079 1.00 22.43 H new ATOM 0 HG3 GLU A 108 -4.474 21.375 -8.048 1.00 22.43 H new ATOM 1839 N ILE A 109 -7.417 19.935 -6.697 1.00 71.01 N ATOM 1840 CA ILE A 109 -8.692 20.519 -7.196 1.00 24.11 C ATOM 1841 C ILE A 109 -8.521 22.033 -7.458 1.00 62.32 C ATOM 1842 O ILE A 109 -7.854 22.746 -6.701 1.00 13.14 O ATOM 1843 CB ILE A 109 -9.901 20.263 -6.198 1.00 74.20 C ATOM 1844 CG1 ILE A 109 -10.290 18.736 -6.104 1.00 4.11 C ATOM 1845 CG2 ILE A 109 -11.149 21.110 -6.588 1.00 12.11 C ATOM 1846 CD1 ILE A 109 -9.283 17.820 -5.419 1.00 12.35 C ATOM 0 H ILE A 109 -7.328 19.959 -5.681 1.00 71.01 H new ATOM 0 HA ILE A 109 -8.935 20.017 -8.132 1.00 24.11 H new ATOM 0 HB ILE A 109 -9.557 20.579 -5.213 1.00 74.20 H new ATOM 0 HG12 ILE A 109 -11.239 18.657 -5.573 1.00 4.11 H new ATOM 0 HG13 ILE A 109 -10.458 18.364 -7.115 1.00 4.11 H new ATOM 0 HG21 ILE A 109 -11.958 20.911 -5.885 1.00 12.11 H new ATOM 0 HG22 ILE A 109 -10.894 22.169 -6.557 1.00 12.11 H new ATOM 0 HG23 ILE A 109 -11.470 20.843 -7.595 1.00 12.11 H new ATOM 0 HD11 ILE A 109 -9.663 16.798 -5.417 1.00 12.35 H new ATOM 0 HD12 ILE A 109 -8.336 17.854 -5.957 1.00 12.35 H new ATOM 0 HD13 ILE A 109 -9.129 18.152 -4.392 1.00 12.35 H new TER 1858 ILE A 109