USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 704 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 23 SER OG : rot 65:sc= 0.748! USER MOD Set 1.2: A 91 HIS : no HD1:sc= 0.834 K(o=1.6,f=-9.5!) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -155:sc= 0.842 (180deg=0) USER MOD Set 2.2: A 84 ASN : amide:sc= -0.27 K(o=0.57,f=-13!) USER MOD Set 3.1: A 24 HIS :FLIP no HE2:sc= -2.92! C(o=-3.6!,f=-2.1!) USER MOD Set 3.2: A 95 SER OG : rot -60:sc= 0.817 USER MOD Single : A 1 MET CE :methyl -136:sc= -0.137 (180deg=-1.21) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.309 (180deg=-0.89) USER MOD Single : A 3 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -0.24 F(o=-1.1,f=-0.24) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 6 HIS : no HE2:sc= 0.165 K(o=0.16,f=-2.4!) USER MOD Single : A 7 HIS : no HD1:sc=-0.00341 X(o=-0.0034,f=-0.33) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 68:sc= 1.11 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -0.0689 (180deg=-0.47) USER MOD Single : A 19 ASN : amide:sc= -0.023 K(o=-0.023,f=-1.4!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.145 USER MOD Single : A 22 ASN : amide:sc= -5.34! C(o=-5.3!,f=-13!) USER MOD Single : A 25 ASN : amide:sc=-0.00481 K(o=-0.0048,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0133) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 75:sc= 0.582 USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.0536 (180deg=-0.409) USER MOD Single : A 51 THR OG1 : rot -72:sc= 0.992 USER MOD Single : A 54 CYS SG : rot 43:sc= 0.169 USER MOD Single : A 57 THR OG1 : rot 151:sc= 0.00886 USER MOD Single : A 58 MET CE :methyl 142:sc= -0.766 (180deg=-4.54) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 35:sc= 0.245 USER MOD Single : A 70 SER OG : rot 146:sc= 1.36 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -169:sc= -0.0989 (180deg=-0.173) USER MOD Single : A 74 ASN : amide:sc= -0.053 K(o=-0.053,f=-1.9!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0358 F(o=-1.7!,f=-0.036) USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -99:sc= 0.0354 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.111 -35.710 2.935 1.00 0.00 N ATOM 2 CA MET A 1 -9.110 -34.222 2.858 1.00 0.00 C ATOM 3 C MET A 1 -8.818 -33.802 1.418 1.00 0.00 C ATOM 4 O MET A 1 -8.979 -32.656 1.046 1.00 0.00 O ATOM 5 CB MET A 1 -8.022 -33.672 3.785 1.00 0.00 C ATOM 6 CG MET A 1 -8.334 -34.059 5.234 1.00 0.00 C ATOM 7 SD MET A 1 -9.872 -33.261 5.766 1.00 0.00 S ATOM 8 CE MET A 1 -9.273 -31.551 5.754 1.00 0.00 C ATOM 0 H1 MET A 1 -9.566 -36.012 3.820 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.636 -36.099 2.126 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.132 -36.059 2.913 1.00 0.00 H new ATOM 0 HA MET A 1 -10.079 -33.830 3.165 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.049 -34.068 3.494 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.966 -32.587 3.692 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.427 -35.142 5.319 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.513 -33.758 5.885 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.617 -31.039 6.653 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.183 -31.547 5.728 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.658 -31.037 4.874 1.00 0.00 H new ATOM 20 N GLY A 2 -8.390 -34.728 0.603 1.00 0.00 N ATOM 21 CA GLY A 2 -8.085 -34.395 -0.819 1.00 0.00 C ATOM 22 C GLY A 2 -6.688 -33.781 -0.906 1.00 0.00 C ATOM 23 O GLY A 2 -6.283 -33.280 -1.936 1.00 0.00 O ATOM 0 H GLY A 2 -8.238 -35.703 0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.139 -35.293 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.826 -33.697 -1.208 1.00 0.00 H new ATOM 27 N HIS A 3 -5.950 -33.815 0.168 1.00 0.00 N ATOM 28 CA HIS A 3 -4.579 -33.231 0.154 1.00 0.00 C ATOM 29 C HIS A 3 -3.603 -34.226 -0.475 1.00 0.00 C ATOM 30 O HIS A 3 -3.731 -35.425 -0.318 1.00 0.00 O ATOM 31 CB HIS A 3 -4.145 -32.921 1.589 1.00 0.00 C ATOM 32 CG HIS A 3 -4.846 -31.677 2.065 1.00 0.00 C ATOM 33 ND1 HIS A 3 -4.327 -30.871 3.064 1.00 0.00 N ATOM 34 CD2 HIS A 3 -6.021 -31.084 1.675 1.00 0.00 C ATOM 35 CE1 HIS A 3 -5.180 -29.846 3.241 1.00 0.00 C ATOM 36 NE2 HIS A 3 -6.230 -29.927 2.420 1.00 0.00 N ATOM 0 H HIS A 3 -6.238 -34.223 1.058 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.581 -32.312 -0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.385 -33.760 2.243 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.065 -32.782 1.632 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.682 -31.458 0.907 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.033 -29.054 3.960 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.016 -29.280 2.353 1.00 0.00 H new ATOM 44 N HIS A 4 -2.624 -33.736 -1.189 1.00 0.00 N ATOM 45 CA HIS A 4 -1.632 -34.645 -1.834 1.00 0.00 C ATOM 46 C HIS A 4 -0.275 -33.945 -1.926 1.00 0.00 C ATOM 47 O HIS A 4 -0.167 -32.748 -1.748 1.00 0.00 O ATOM 48 CB HIS A 4 -2.115 -35.022 -3.237 1.00 0.00 C ATOM 49 CG HIS A 4 -2.447 -33.779 -4.013 1.00 0.00 C ATOM 50 ND1 HIS A 4 -3.402 -32.810 -3.828 1.00 0.00 N flip ATOM 51 CD2 HIS A 4 -1.755 -33.415 -5.157 1.00 0.00 C flip ATOM 52 CE1 HIS A 4 -3.309 -31.861 -4.842 1.00 0.00 C flip ATOM 53 NE2 HIS A 4 -2.302 -32.273 -5.616 1.00 0.00 N flip ATOM 0 H HIS A 4 -2.468 -32.741 -1.354 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.529 -35.549 -1.234 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.344 -35.591 -3.756 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.993 -35.664 -3.169 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.928 -33.950 -5.600 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.920 -30.980 -4.974 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.986 -31.783 -6.453 1.00 0.00 H new ATOM 61 N HIS A 5 0.761 -34.691 -2.191 1.00 0.00 N ATOM 62 CA HIS A 5 2.119 -34.086 -2.284 1.00 0.00 C ATOM 63 C HIS A 5 2.244 -33.263 -3.567 1.00 0.00 C ATOM 64 O HIS A 5 1.737 -33.633 -4.608 1.00 0.00 O ATOM 65 CB HIS A 5 3.163 -35.203 -2.293 1.00 0.00 C ATOM 66 CG HIS A 5 3.136 -35.916 -0.972 1.00 0.00 C ATOM 67 ND1 HIS A 5 3.516 -35.296 0.206 1.00 0.00 N ATOM 68 CD2 HIS A 5 2.776 -37.194 -0.624 1.00 0.00 C ATOM 69 CE1 HIS A 5 3.378 -36.191 1.199 1.00 0.00 C ATOM 70 NE2 HIS A 5 2.929 -37.365 0.748 1.00 0.00 N ATOM 0 H HIS A 5 0.725 -35.698 -2.348 1.00 0.00 H new ATOM 0 HA HIS A 5 2.280 -33.431 -1.428 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.956 -35.904 -3.102 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.154 -34.789 -2.476 1.00 0.00 H new ATOM 0 HD2 HIS A 5 2.427 -37.951 -1.311 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.603 -35.986 2.235 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.739 -38.206 1.293 1.00 0.00 H new ATOM 78 N HIS A 6 2.925 -32.151 -3.499 1.00 0.00 N ATOM 79 CA HIS A 6 3.100 -31.294 -4.707 1.00 0.00 C ATOM 80 C HIS A 6 4.413 -30.518 -4.591 1.00 0.00 C ATOM 81 O HIS A 6 5.008 -30.444 -3.534 1.00 0.00 O ATOM 82 CB HIS A 6 1.930 -30.315 -4.824 1.00 0.00 C ATOM 83 CG HIS A 6 1.773 -29.550 -3.540 1.00 0.00 C ATOM 84 ND1 HIS A 6 1.157 -30.097 -2.426 1.00 0.00 N ATOM 85 CD2 HIS A 6 2.132 -28.274 -3.180 1.00 0.00 C ATOM 86 CE1 HIS A 6 1.160 -29.162 -1.459 1.00 0.00 C ATOM 87 NE2 HIS A 6 1.743 -28.031 -1.866 1.00 0.00 N ATOM 0 H HIS A 6 3.371 -31.797 -2.653 1.00 0.00 H new ATOM 0 HA HIS A 6 3.126 -31.923 -5.597 1.00 0.00 H new ATOM 0 HB2 HIS A 6 2.103 -29.625 -5.650 1.00 0.00 H new ATOM 0 HB3 HIS A 6 1.012 -30.857 -5.049 1.00 0.00 H new ATOM 0 HD1 HIS A 6 0.771 -31.038 -2.352 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.639 -27.567 -3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 6 0.742 -29.308 -0.474 1.00 0.00 H new ATOM 95 N HIS A 7 4.869 -29.943 -5.675 1.00 0.00 N ATOM 96 CA HIS A 7 6.148 -29.166 -5.651 1.00 0.00 C ATOM 97 C HIS A 7 5.921 -27.802 -6.308 1.00 0.00 C ATOM 98 O HIS A 7 5.376 -27.703 -7.390 1.00 0.00 O ATOM 99 CB HIS A 7 7.222 -29.938 -6.418 1.00 0.00 C ATOM 100 CG HIS A 7 8.555 -29.281 -6.205 1.00 0.00 C ATOM 101 ND1 HIS A 7 9.083 -28.375 -7.110 1.00 0.00 N ATOM 102 CD2 HIS A 7 9.475 -29.379 -5.192 1.00 0.00 C ATOM 103 CE1 HIS A 7 10.271 -27.968 -6.629 1.00 0.00 C ATOM 104 NE2 HIS A 7 10.559 -28.549 -5.462 1.00 0.00 N ATOM 0 H HIS A 7 4.407 -29.978 -6.584 1.00 0.00 H new ATOM 0 HA HIS A 7 6.475 -29.021 -4.621 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.255 -30.973 -6.077 1.00 0.00 H new ATOM 0 HB3 HIS A 7 6.981 -29.960 -7.481 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.373 -30.005 -4.318 1.00 0.00 H new ATOM 0 HE1 HIS A 7 10.914 -27.257 -7.126 1.00 0.00 H new ATOM 0 HE2 HIS A 7 11.394 -28.414 -4.891 1.00 0.00 H new ATOM 112 N HIS A 8 6.328 -26.751 -5.653 1.00 0.00 N ATOM 113 CA HIS A 8 6.130 -25.387 -6.218 1.00 0.00 C ATOM 114 C HIS A 8 7.120 -25.142 -7.360 1.00 0.00 C ATOM 115 O HIS A 8 8.258 -25.563 -7.311 1.00 0.00 O ATOM 116 CB HIS A 8 6.352 -24.356 -5.113 1.00 0.00 C ATOM 117 CG HIS A 8 5.320 -24.559 -4.038 1.00 0.00 C ATOM 118 ND1 HIS A 8 3.992 -24.207 -4.214 1.00 0.00 N ATOM 119 CD2 HIS A 8 5.404 -25.086 -2.772 1.00 0.00 C ATOM 120 CE1 HIS A 8 3.335 -24.522 -3.083 1.00 0.00 C ATOM 121 NE2 HIS A 8 4.148 -25.061 -2.171 1.00 0.00 N ATOM 0 H HIS A 8 6.792 -26.778 -4.745 1.00 0.00 H new ATOM 0 HA HIS A 8 5.116 -25.299 -6.609 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.354 -24.460 -4.697 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.279 -23.347 -5.519 1.00 0.00 H new ATOM 0 HD2 HIS A 8 6.306 -25.462 -2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.278 -24.359 -2.931 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.902 -25.385 -1.236 1.00 0.00 H new ATOM 129 N SER A 9 6.689 -24.463 -8.391 1.00 0.00 N ATOM 130 CA SER A 9 7.593 -24.186 -9.545 1.00 0.00 C ATOM 131 C SER A 9 8.361 -22.884 -9.290 1.00 0.00 C ATOM 132 O SER A 9 8.054 -21.849 -9.849 1.00 0.00 O ATOM 133 CB SER A 9 6.754 -24.050 -10.818 1.00 0.00 C ATOM 134 OG SER A 9 6.017 -22.834 -10.769 1.00 0.00 O ATOM 0 H SER A 9 5.745 -24.087 -8.483 1.00 0.00 H new ATOM 0 HA SER A 9 8.303 -25.004 -9.663 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.400 -24.062 -11.696 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.074 -24.897 -10.911 1.00 0.00 H new ATOM 0 HG SER A 9 6.634 -22.075 -10.831 1.00 0.00 H new ATOM 140 N HIS A 10 9.359 -22.931 -8.448 1.00 0.00 N ATOM 141 CA HIS A 10 10.153 -21.704 -8.147 1.00 0.00 C ATOM 142 C HIS A 10 9.215 -20.566 -7.737 1.00 0.00 C ATOM 143 O HIS A 10 9.630 -19.435 -7.573 1.00 0.00 O ATOM 144 CB HIS A 10 10.959 -21.294 -9.381 1.00 0.00 C ATOM 145 CG HIS A 10 12.045 -22.307 -9.624 1.00 0.00 C ATOM 146 ND1 HIS A 10 11.811 -23.496 -10.296 1.00 0.00 N ATOM 147 CD2 HIS A 10 13.376 -22.326 -9.283 1.00 0.00 C ATOM 148 CE1 HIS A 10 12.972 -24.174 -10.340 1.00 0.00 C ATOM 149 NE2 HIS A 10 13.959 -23.505 -9.736 1.00 0.00 N ATOM 0 H HIS A 10 9.660 -23.771 -7.953 1.00 0.00 H new ATOM 0 HA HIS A 10 10.838 -21.914 -7.326 1.00 0.00 H new ATOM 0 HB2 HIS A 10 10.306 -21.228 -10.251 1.00 0.00 H new ATOM 0 HB3 HIS A 10 11.394 -20.306 -9.234 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.891 -21.544 -8.745 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.092 -25.141 -10.806 1.00 0.00 H new ATOM 0 HE2 HIS A 10 14.931 -23.796 -9.630 1.00 0.00 H new ATOM 157 N GLY A 11 7.956 -20.858 -7.558 1.00 0.00 N ATOM 158 CA GLY A 11 6.995 -19.798 -7.143 1.00 0.00 C ATOM 159 C GLY A 11 7.067 -18.615 -8.109 1.00 0.00 C ATOM 160 O GLY A 11 7.641 -17.587 -7.806 1.00 0.00 O ATOM 0 H GLY A 11 7.551 -21.786 -7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.983 -20.201 -7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.224 -19.465 -6.131 1.00 0.00 H new ATOM 164 N LYS A 12 6.477 -18.749 -9.266 1.00 0.00 N ATOM 165 CA LYS A 12 6.493 -17.632 -10.254 1.00 0.00 C ATOM 166 C LYS A 12 5.246 -16.773 -10.047 1.00 0.00 C ATOM 167 O LYS A 12 5.086 -15.734 -10.656 1.00 0.00 O ATOM 168 CB LYS A 12 6.490 -18.199 -11.674 1.00 0.00 C ATOM 169 CG LYS A 12 7.810 -18.926 -11.936 1.00 0.00 C ATOM 170 CD LYS A 12 7.877 -19.382 -13.399 1.00 0.00 C ATOM 171 CE LYS A 12 6.866 -20.504 -13.656 1.00 0.00 C ATOM 172 NZ LYS A 12 7.217 -21.199 -14.926 1.00 0.00 N ATOM 0 H LYS A 12 5.983 -19.588 -9.571 1.00 0.00 H new ATOM 0 HA LYS A 12 7.390 -17.028 -10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.653 -18.886 -11.801 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.355 -17.395 -12.398 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.648 -18.266 -11.714 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.898 -19.787 -11.274 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.670 -18.539 -14.059 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.883 -19.730 -13.632 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.872 -21.212 -12.827 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.858 -20.094 -13.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.533 -21.962 -15.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.191 -20.519 -15.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.173 -21.602 -14.849 1.00 0.00 H new ATOM 186 N SER A 13 4.362 -17.201 -9.188 1.00 0.00 N ATOM 187 CA SER A 13 3.123 -16.411 -8.938 1.00 0.00 C ATOM 188 C SER A 13 3.492 -15.083 -8.258 1.00 0.00 C ATOM 189 O SER A 13 4.434 -15.004 -7.493 1.00 0.00 O ATOM 190 CB SER A 13 2.178 -17.217 -8.046 1.00 0.00 C ATOM 191 OG SER A 13 1.768 -18.394 -8.734 1.00 0.00 O ATOM 0 H SER A 13 4.444 -18.063 -8.649 1.00 0.00 H new ATOM 0 HA SER A 13 2.624 -16.198 -9.883 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.678 -17.482 -7.114 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.308 -16.615 -7.781 1.00 0.00 H new ATOM 0 HG SER A 13 1.164 -18.913 -8.163 1.00 0.00 H new ATOM 197 N ASP A 14 2.764 -14.037 -8.554 1.00 0.00 N ATOM 198 CA ASP A 14 3.067 -12.695 -7.962 1.00 0.00 C ATOM 199 C ASP A 14 1.788 -12.058 -7.427 1.00 0.00 C ATOM 200 O ASP A 14 1.565 -10.910 -7.692 1.00 0.00 O ATOM 201 CB ASP A 14 3.574 -11.749 -9.076 1.00 0.00 C ATOM 202 CG ASP A 14 4.970 -12.138 -9.557 1.00 0.00 C ATOM 203 OD1 ASP A 14 5.608 -12.930 -8.891 1.00 0.00 O ATOM 204 OD2 ASP A 14 5.382 -11.615 -10.583 1.00 0.00 O ATOM 0 H ASP A 14 1.964 -14.054 -9.187 1.00 0.00 H new ATOM 0 HA ASP A 14 3.804 -12.833 -7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.880 -11.772 -9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.590 -10.725 -8.704 1.00 0.00 H new ATOM 209 N PHE A 15 0.911 -12.734 -6.725 1.00 0.00 N ATOM 210 CA PHE A 15 -0.331 -11.999 -6.303 1.00 0.00 C ATOM 211 C PHE A 15 -0.753 -12.309 -4.871 1.00 0.00 C ATOM 212 O PHE A 15 -0.871 -13.442 -4.443 1.00 0.00 O ATOM 213 CB PHE A 15 -1.435 -12.336 -7.300 1.00 0.00 C ATOM 214 CG PHE A 15 -0.957 -11.901 -8.669 1.00 0.00 C ATOM 215 CD1 PHE A 15 -0.209 -12.780 -9.465 1.00 0.00 C ATOM 216 CD2 PHE A 15 -1.239 -10.610 -9.131 1.00 0.00 C ATOM 217 CE1 PHE A 15 0.253 -12.368 -10.723 1.00 0.00 C ATOM 218 CE2 PHE A 15 -0.774 -10.197 -10.388 1.00 0.00 C ATOM 219 CZ PHE A 15 -0.030 -11.077 -11.182 1.00 0.00 C ATOM 0 H PHE A 15 0.987 -13.709 -6.436 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.126 -10.928 -6.309 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.648 -13.405 -7.290 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.360 -11.824 -7.036 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.012 -13.775 -9.109 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.815 -9.932 -8.519 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.827 -13.046 -11.337 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.990 -9.200 -10.743 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.326 -10.759 -12.151 1.00 0.00 H new ATOM 229 N ILE A 16 -0.998 -11.245 -4.153 1.00 0.00 N ATOM 230 CA ILE A 16 -1.444 -11.311 -2.743 1.00 0.00 C ATOM 231 C ILE A 16 -2.590 -10.320 -2.580 1.00 0.00 C ATOM 232 O ILE A 16 -2.695 -9.361 -3.320 1.00 0.00 O ATOM 233 CB ILE A 16 -0.280 -10.934 -1.824 1.00 0.00 C ATOM 234 CG1 ILE A 16 0.301 -9.576 -2.240 1.00 0.00 C ATOM 235 CG2 ILE A 16 0.802 -12.004 -1.930 1.00 0.00 C ATOM 236 CD1 ILE A 16 1.335 -9.125 -1.206 1.00 0.00 C ATOM 0 H ILE A 16 -0.900 -10.294 -4.510 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.775 -12.316 -2.481 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.637 -10.865 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.764 -9.653 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.496 -8.837 -2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.636 -11.744 -1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.392 -12.967 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.152 -12.066 -2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.748 -8.160 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.858 -9.032 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.137 -9.861 -1.149 1.00 0.00 H new ATOM 248 N LYS A 17 -3.446 -10.542 -1.628 1.00 0.00 N ATOM 249 CA LYS A 17 -4.600 -9.620 -1.411 1.00 0.00 C ATOM 250 C LYS A 17 -4.399 -8.873 -0.095 1.00 0.00 C ATOM 251 O LYS A 17 -4.045 -9.454 0.912 1.00 0.00 O ATOM 252 CB LYS A 17 -5.869 -10.462 -1.340 1.00 0.00 C ATOM 253 CG LYS A 17 -6.157 -11.061 -2.720 1.00 0.00 C ATOM 254 CD LYS A 17 -7.410 -11.933 -2.645 1.00 0.00 C ATOM 255 CE LYS A 17 -7.658 -12.589 -4.004 1.00 0.00 C ATOM 256 NZ LYS A 17 -7.885 -11.533 -5.032 1.00 0.00 N ATOM 0 H LYS A 17 -3.399 -11.330 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.677 -8.896 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.751 -11.257 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.709 -9.848 -1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.298 -10.265 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.307 -11.655 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.289 -12.697 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.270 -11.328 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.804 -13.206 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.523 -13.249 -3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.330 -11.956 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.509 -10.798 -4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.974 -11.108 -5.300 1.00 0.00 H new ATOM 270 N VAL A 18 -4.619 -7.585 -0.096 1.00 0.00 N ATOM 271 CA VAL A 18 -4.443 -6.782 1.151 1.00 0.00 C ATOM 272 C VAL A 18 -5.589 -5.778 1.268 1.00 0.00 C ATOM 273 O VAL A 18 -6.331 -5.552 0.330 1.00 0.00 O ATOM 274 CB VAL A 18 -3.106 -6.039 1.107 1.00 0.00 C ATOM 275 CG1 VAL A 18 -1.962 -7.053 1.106 1.00 0.00 C ATOM 276 CG2 VAL A 18 -3.034 -5.189 -0.161 1.00 0.00 C ATOM 0 H VAL A 18 -4.915 -7.050 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.450 -7.446 2.015 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.021 -5.393 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.009 -6.526 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.012 -7.659 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.049 -7.698 0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.081 -4.660 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.119 -5.833 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.850 -4.466 -0.161 1.00 0.00 H new ATOM 286 N ASN A 19 -5.744 -5.184 2.419 1.00 0.00 N ATOM 287 CA ASN A 19 -6.846 -4.195 2.625 1.00 0.00 C ATOM 288 C ASN A 19 -6.284 -2.779 2.525 1.00 0.00 C ATOM 289 O ASN A 19 -5.171 -2.514 2.935 1.00 0.00 O ATOM 290 CB ASN A 19 -7.447 -4.405 4.012 1.00 0.00 C ATOM 291 CG ASN A 19 -8.216 -5.725 4.029 1.00 0.00 C ATOM 292 OD1 ASN A 19 -8.786 -6.121 3.031 1.00 0.00 O ATOM 293 ND2 ASN A 19 -8.254 -6.431 5.125 1.00 0.00 N ATOM 0 H ASN A 19 -5.151 -5.341 3.234 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.614 -4.333 1.864 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.659 -4.419 4.765 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.112 -3.579 4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.762 -7.315 5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.776 -6.099 5.962 1.00 0.00 H new ATOM 300 N VAL A 20 -7.048 -1.866 1.974 1.00 0.00 N ATOM 301 CA VAL A 20 -6.567 -0.456 1.834 1.00 0.00 C ATOM 302 C VAL A 20 -7.585 0.485 2.481 1.00 0.00 C ATOM 303 O VAL A 20 -8.776 0.366 2.273 1.00 0.00 O ATOM 304 CB VAL A 20 -6.434 -0.121 0.350 1.00 0.00 C ATOM 305 CG1 VAL A 20 -6.045 1.349 0.188 1.00 0.00 C ATOM 306 CG2 VAL A 20 -5.364 -1.016 -0.276 1.00 0.00 C ATOM 0 H VAL A 20 -7.987 -2.038 1.614 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.600 -0.340 2.323 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.386 -0.293 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.951 1.586 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.814 1.980 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.093 1.530 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.266 -0.780 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.410 -0.846 0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.652 -2.061 -0.162 1.00 0.00 H new ATOM 316 N SER A 21 -7.120 1.418 3.272 1.00 0.00 N ATOM 317 CA SER A 21 -8.044 2.378 3.952 1.00 0.00 C ATOM 318 C SER A 21 -7.467 3.790 3.845 1.00 0.00 C ATOM 319 O SER A 21 -6.304 3.971 3.545 1.00 0.00 O ATOM 320 CB SER A 21 -8.176 1.994 5.426 1.00 0.00 C ATOM 321 OG SER A 21 -8.934 2.987 6.105 1.00 0.00 O ATOM 0 H SER A 21 -6.131 1.558 3.478 1.00 0.00 H new ATOM 0 HA SER A 21 -9.025 2.345 3.478 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.662 1.023 5.518 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.189 1.901 5.879 1.00 0.00 H new ATOM 0 HG SER A 21 -9.022 2.742 7.050 1.00 0.00 H new ATOM 327 N ASN A 22 -8.276 4.793 4.081 1.00 0.00 N ATOM 328 CA ASN A 22 -7.787 6.204 3.987 1.00 0.00 C ATOM 329 C ASN A 22 -8.287 7.004 5.191 1.00 0.00 C ATOM 330 O ASN A 22 -9.383 6.803 5.677 1.00 0.00 O ATOM 331 CB ASN A 22 -8.318 6.837 2.703 1.00 0.00 C ATOM 332 CG ASN A 22 -7.668 8.207 2.506 1.00 0.00 C ATOM 333 OD1 ASN A 22 -7.199 8.812 3.451 1.00 0.00 O ATOM 334 ND2 ASN A 22 -7.613 8.723 1.310 1.00 0.00 N ATOM 0 H ASN A 22 -9.259 4.695 4.336 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.697 6.210 3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.101 6.193 1.850 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.402 6.941 2.757 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.177 9.634 1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.006 8.216 0.517 1.00 0.00 H new ATOM 341 N SER A 23 -7.481 7.906 5.679 1.00 0.00 N ATOM 342 CA SER A 23 -7.888 8.724 6.857 1.00 0.00 C ATOM 343 C SER A 23 -8.915 9.782 6.440 1.00 0.00 C ATOM 344 O SER A 23 -10.072 9.719 6.809 1.00 0.00 O ATOM 345 CB SER A 23 -6.655 9.423 7.431 1.00 0.00 C ATOM 346 OG SER A 23 -5.739 8.443 7.899 1.00 0.00 O ATOM 0 H SER A 23 -6.553 8.113 5.311 1.00 0.00 H new ATOM 0 HA SER A 23 -8.334 8.071 7.607 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.185 10.043 6.667 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.944 10.086 8.246 1.00 0.00 H new ATOM 0 HG SER A 23 -5.416 7.909 7.143 1.00 0.00 H new ATOM 352 N HIS A 24 -8.494 10.760 5.687 1.00 0.00 N ATOM 353 CA HIS A 24 -9.433 11.838 5.257 1.00 0.00 C ATOM 354 C HIS A 24 -10.610 11.236 4.484 1.00 0.00 C ATOM 355 O HIS A 24 -11.749 11.605 4.688 1.00 0.00 O ATOM 356 CB HIS A 24 -8.690 12.825 4.348 1.00 0.00 C ATOM 357 CG HIS A 24 -7.748 13.664 5.169 1.00 0.00 C ATOM 358 ND1 HIS A 24 -7.845 14.945 5.652 1.00 0.00 N flip ATOM 359 CD2 HIS A 24 -6.514 13.193 5.590 1.00 0.00 C flip ATOM 360 CE1 HIS A 24 -6.693 15.266 6.363 1.00 0.00 C flip ATOM 361 NE2 HIS A 24 -5.924 14.176 6.296 1.00 0.00 N flip ATOM 0 H HIS A 24 -7.537 10.861 5.349 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.810 12.353 6.141 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.135 12.282 3.583 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.404 13.465 3.830 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -8.641 15.567 5.511 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.101 12.216 5.388 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.469 16.197 6.862 1.00 0.00 H new ATOM 369 N ASN A 25 -10.344 10.322 3.590 1.00 0.00 N ATOM 370 CA ASN A 25 -11.447 9.706 2.791 1.00 0.00 C ATOM 371 C ASN A 25 -11.954 8.438 3.480 1.00 0.00 C ATOM 372 O ASN A 25 -11.208 7.717 4.113 1.00 0.00 O ATOM 373 CB ASN A 25 -10.926 9.348 1.399 1.00 0.00 C ATOM 374 CG ASN A 25 -10.674 10.629 0.604 1.00 0.00 C ATOM 375 OD1 ASN A 25 -11.268 11.653 0.876 1.00 0.00 O ATOM 376 ND2 ASN A 25 -9.807 10.615 -0.370 1.00 0.00 N ATOM 0 H ASN A 25 -9.409 9.974 3.377 1.00 0.00 H new ATOM 0 HA ASN A 25 -12.266 10.420 2.709 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.005 8.771 1.481 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.650 8.721 0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.627 11.465 -0.905 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.309 9.754 -0.597 1.00 0.00 H new ATOM 383 N ASP A 26 -13.226 8.167 3.359 1.00 0.00 N ATOM 384 CA ASP A 26 -13.810 6.951 3.996 1.00 0.00 C ATOM 385 C ASP A 26 -13.810 5.802 2.983 1.00 0.00 C ATOM 386 O ASP A 26 -14.327 4.733 3.239 1.00 0.00 O ATOM 387 CB ASP A 26 -15.252 7.253 4.417 1.00 0.00 C ATOM 388 CG ASP A 26 -15.800 6.105 5.269 1.00 0.00 C ATOM 389 OD1 ASP A 26 -15.100 5.120 5.426 1.00 0.00 O ATOM 390 OD2 ASP A 26 -16.910 6.237 5.758 1.00 0.00 O ATOM 0 H ASP A 26 -13.891 8.741 2.841 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.220 6.670 4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -15.287 8.185 4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -15.876 7.392 3.534 1.00 0.00 H new ATOM 395 N ALA A 27 -13.245 6.018 1.825 1.00 0.00 N ATOM 396 CA ALA A 27 -13.225 4.938 0.795 1.00 0.00 C ATOM 397 C ALA A 27 -12.356 3.777 1.282 1.00 0.00 C ATOM 398 O ALA A 27 -11.226 3.965 1.690 1.00 0.00 O ATOM 399 CB ALA A 27 -12.645 5.492 -0.507 1.00 0.00 C ATOM 0 H ALA A 27 -12.798 6.892 1.548 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.241 4.582 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.629 4.706 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.263 6.319 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.630 5.847 -0.331 1.00 0.00 H new ATOM 405 N VAL A 28 -12.874 2.574 1.234 1.00 0.00 N ATOM 406 CA VAL A 28 -12.090 1.379 1.684 1.00 0.00 C ATOM 407 C VAL A 28 -12.192 0.279 0.623 1.00 0.00 C ATOM 408 O VAL A 28 -13.262 -0.026 0.134 1.00 0.00 O ATOM 409 CB VAL A 28 -12.658 0.875 3.015 1.00 0.00 C ATOM 410 CG1 VAL A 28 -12.031 -0.476 3.371 1.00 0.00 C ATOM 411 CG2 VAL A 28 -12.336 1.892 4.113 1.00 0.00 C ATOM 0 H VAL A 28 -13.815 2.366 0.899 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.043 1.651 1.820 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.738 0.754 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.439 -0.828 4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.256 -1.199 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.951 -0.363 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.737 1.540 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.255 2.008 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.786 2.853 3.862 1.00 0.00 H new ATOM 421 N ALA A 29 -11.082 -0.320 0.267 1.00 0.00 N ATOM 422 CA ALA A 29 -11.092 -1.410 -0.762 1.00 0.00 C ATOM 423 C ALA A 29 -10.832 -2.754 -0.074 1.00 0.00 C ATOM 424 O ALA A 29 -9.994 -2.856 0.803 1.00 0.00 O ATOM 425 CB ALA A 29 -9.991 -1.137 -1.791 1.00 0.00 C ATOM 0 H ALA A 29 -10.162 -0.100 0.647 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.060 -1.440 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.992 -1.926 -2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.173 -0.176 -2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.023 -1.114 -1.291 1.00 0.00 H new ATOM 431 N PHE A 30 -11.549 -3.783 -0.461 1.00 0.00 N ATOM 432 CA PHE A 30 -11.362 -5.132 0.169 1.00 0.00 C ATOM 433 C PHE A 30 -10.835 -6.131 -0.865 1.00 0.00 C ATOM 434 O PHE A 30 -11.261 -6.152 -2.003 1.00 0.00 O ATOM 435 CB PHE A 30 -12.709 -5.625 0.709 1.00 0.00 C ATOM 436 CG PHE A 30 -13.060 -4.859 1.964 1.00 0.00 C ATOM 437 CD1 PHE A 30 -12.470 -5.212 3.184 1.00 0.00 C ATOM 438 CD2 PHE A 30 -13.971 -3.797 1.909 1.00 0.00 C ATOM 439 CE1 PHE A 30 -12.791 -4.504 4.348 1.00 0.00 C ATOM 440 CE2 PHE A 30 -14.291 -3.089 3.073 1.00 0.00 C ATOM 441 CZ PHE A 30 -13.702 -3.442 4.292 1.00 0.00 C ATOM 0 H PHE A 30 -12.261 -3.747 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.640 -5.050 0.982 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.486 -5.488 -0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.658 -6.692 0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.767 -6.031 3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.427 -3.524 0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.336 -4.777 5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.993 -2.270 3.030 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.950 -2.895 5.190 1.00 0.00 H new ATOM 451 N GLU A 31 -9.912 -6.966 -0.461 1.00 0.00 N ATOM 452 CA GLU A 31 -9.338 -7.989 -1.383 1.00 0.00 C ATOM 453 C GLU A 31 -8.760 -7.329 -2.640 1.00 0.00 C ATOM 454 O GLU A 31 -9.110 -7.678 -3.751 1.00 0.00 O ATOM 455 CB GLU A 31 -10.420 -9.001 -1.774 1.00 0.00 C ATOM 456 CG GLU A 31 -10.793 -9.835 -0.545 1.00 0.00 C ATOM 457 CD GLU A 31 -11.922 -10.805 -0.898 1.00 0.00 C ATOM 458 OE1 GLU A 31 -12.838 -10.393 -1.590 1.00 0.00 O ATOM 459 OE2 GLU A 31 -11.851 -11.945 -0.469 1.00 0.00 O ATOM 0 H GLU A 31 -9.527 -6.981 0.483 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.530 -8.505 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.299 -8.483 -2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.058 -9.649 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.923 -10.389 -0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.105 -9.180 0.269 1.00 0.00 H new ATOM 466 N VAL A 32 -7.866 -6.388 -2.477 1.00 0.00 N ATOM 467 CA VAL A 32 -7.263 -5.722 -3.655 1.00 0.00 C ATOM 468 C VAL A 32 -6.179 -6.631 -4.245 1.00 0.00 C ATOM 469 O VAL A 32 -5.268 -7.049 -3.556 1.00 0.00 O ATOM 470 CB VAL A 32 -6.652 -4.385 -3.208 1.00 0.00 C ATOM 471 CG1 VAL A 32 -7.605 -3.690 -2.238 1.00 0.00 C ATOM 472 CG2 VAL A 32 -5.301 -4.610 -2.510 1.00 0.00 C ATOM 0 H VAL A 32 -7.531 -6.056 -1.573 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.021 -5.535 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.494 -3.765 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.173 -2.741 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.558 -3.506 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.765 -4.326 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.886 -3.650 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.445 -5.241 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.612 -5.098 -3.199 1.00 0.00 H new ATOM 482 N LYS A 33 -6.264 -6.945 -5.509 1.00 0.00 N ATOM 483 CA LYS A 33 -5.236 -7.825 -6.133 1.00 0.00 C ATOM 484 C LYS A 33 -4.143 -6.963 -6.765 1.00 0.00 C ATOM 485 O LYS A 33 -4.375 -6.259 -7.729 1.00 0.00 O ATOM 486 CB LYS A 33 -5.909 -8.688 -7.208 1.00 0.00 C ATOM 487 CG LYS A 33 -5.055 -9.924 -7.492 1.00 0.00 C ATOM 488 CD LYS A 33 -5.801 -10.840 -8.459 1.00 0.00 C ATOM 489 CE LYS A 33 -4.921 -12.041 -8.803 1.00 0.00 C ATOM 490 NZ LYS A 33 -4.940 -13.010 -7.671 1.00 0.00 N ATOM 0 H LYS A 33 -7.003 -6.629 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.786 -8.469 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.902 -8.990 -6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.041 -8.109 -8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.097 -9.628 -7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.840 -10.453 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.735 -11.177 -8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.061 -10.295 -9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.281 -12.521 -9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.900 -11.713 -8.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.411 -13.865 -7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.499 -12.576 -6.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.923 -13.266 -7.450 1.00 0.00 H new ATOM 504 N LEU A 34 -2.949 -7.016 -6.229 1.00 0.00 N ATOM 505 CA LEU A 34 -1.823 -6.205 -6.790 1.00 0.00 C ATOM 506 C LEU A 34 -0.590 -7.086 -6.927 1.00 0.00 C ATOM 507 O LEU A 34 -0.252 -7.848 -6.042 1.00 0.00 O ATOM 508 CB LEU A 34 -1.519 -5.039 -5.848 1.00 0.00 C ATOM 509 CG LEU A 34 -2.737 -4.110 -5.762 1.00 0.00 C ATOM 510 CD1 LEU A 34 -2.493 -3.064 -4.672 1.00 0.00 C ATOM 511 CD2 LEU A 34 -2.969 -3.405 -7.112 1.00 0.00 C ATOM 0 H LEU A 34 -2.704 -7.590 -5.422 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.102 -5.815 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.267 -5.416 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.652 -4.485 -6.208 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.621 -4.700 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.355 -2.400 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.345 -3.564 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.605 -2.482 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.836 -2.749 -7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.090 -2.815 -7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.145 -4.151 -7.887 1.00 0.00 H new ATOM 523 N ALA A 35 0.080 -6.996 -8.039 1.00 0.00 N ATOM 524 CA ALA A 35 1.280 -7.841 -8.243 1.00 0.00 C ATOM 525 C ALA A 35 2.410 -7.397 -7.309 1.00 0.00 C ATOM 526 O ALA A 35 2.598 -6.224 -7.054 1.00 0.00 O ATOM 527 CB ALA A 35 1.734 -7.749 -9.703 1.00 0.00 C ATOM 0 H ALA A 35 -0.153 -6.374 -8.813 1.00 0.00 H new ATOM 0 HA ALA A 35 1.028 -8.876 -8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.617 -8.372 -9.849 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.933 -8.096 -10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.976 -6.714 -9.944 1.00 0.00 H new ATOM 533 N LYS A 36 3.165 -8.336 -6.804 1.00 0.00 N ATOM 534 CA LYS A 36 4.291 -7.986 -5.892 1.00 0.00 C ATOM 535 C LYS A 36 5.427 -7.358 -6.701 1.00 0.00 C ATOM 536 O LYS A 36 6.363 -6.811 -6.152 1.00 0.00 O ATOM 537 CB LYS A 36 4.804 -9.250 -5.198 1.00 0.00 C ATOM 538 CG LYS A 36 3.746 -9.765 -4.217 1.00 0.00 C ATOM 539 CD LYS A 36 4.204 -11.097 -3.605 1.00 0.00 C ATOM 540 CE LYS A 36 5.263 -10.851 -2.523 1.00 0.00 C ATOM 541 NZ LYS A 36 5.511 -12.116 -1.777 1.00 0.00 N ATOM 0 H LYS A 36 3.049 -9.333 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 36 3.939 -7.277 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.031 -10.017 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.732 -9.035 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.580 -9.031 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.795 -9.900 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.350 -11.620 -3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.613 -11.741 -4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.188 -10.497 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.926 -10.072 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.869 -11.894 -0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.623 -12.651 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.215 -12.687 -2.287 1.00 0.00 H new ATOM 555 N ASP A 37 5.362 -7.442 -8.003 1.00 0.00 N ATOM 556 CA ASP A 37 6.447 -6.857 -8.843 1.00 0.00 C ATOM 557 C ASP A 37 6.183 -5.364 -9.059 1.00 0.00 C ATOM 558 O ASP A 37 6.928 -4.684 -9.737 1.00 0.00 O ATOM 559 CB ASP A 37 6.475 -7.568 -10.200 1.00 0.00 C ATOM 560 CG ASP A 37 5.101 -7.465 -10.867 1.00 0.00 C ATOM 561 OD1 ASP A 37 4.404 -6.499 -10.600 1.00 0.00 O ATOM 562 OD2 ASP A 37 4.772 -8.348 -11.642 1.00 0.00 O ATOM 0 H ASP A 37 4.606 -7.890 -8.521 1.00 0.00 H new ATOM 0 HA ASP A 37 7.405 -6.986 -8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.235 -7.120 -10.840 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.747 -8.615 -10.067 1.00 0.00 H new ATOM 567 N LEU A 38 5.126 -4.850 -8.491 1.00 0.00 N ATOM 568 CA LEU A 38 4.808 -3.401 -8.666 1.00 0.00 C ATOM 569 C LEU A 38 5.708 -2.552 -7.768 1.00 0.00 C ATOM 570 O LEU A 38 6.033 -2.928 -6.660 1.00 0.00 O ATOM 571 CB LEU A 38 3.343 -3.149 -8.301 1.00 0.00 C ATOM 572 CG LEU A 38 2.422 -3.790 -9.348 1.00 0.00 C ATOM 573 CD1 LEU A 38 0.984 -3.774 -8.822 1.00 0.00 C ATOM 574 CD2 LEU A 38 2.492 -3.013 -10.679 1.00 0.00 C ATOM 0 H LEU A 38 4.467 -5.371 -7.912 1.00 0.00 H new ATOM 0 HA LEU A 38 4.980 -3.125 -9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.129 -3.562 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.153 -2.077 -8.245 1.00 0.00 H new ATOM 0 HG LEU A 38 2.745 -4.815 -9.527 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.322 -4.228 -9.559 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.931 -4.338 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.674 -2.745 -8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.833 -3.482 -11.409 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.178 -1.982 -10.516 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.515 -3.025 -11.054 1.00 0.00 H new ATOM 586 N THR A 39 6.109 -1.401 -8.243 1.00 0.00 N ATOM 587 CA THR A 39 6.985 -0.510 -7.430 1.00 0.00 C ATOM 588 C THR A 39 6.131 0.375 -6.520 1.00 0.00 C ATOM 589 O THR A 39 4.934 0.494 -6.692 1.00 0.00 O ATOM 590 CB THR A 39 7.818 0.371 -8.361 1.00 0.00 C ATOM 591 OG1 THR A 39 6.950 1.160 -9.163 1.00 0.00 O ATOM 592 CG2 THR A 39 8.689 -0.512 -9.256 1.00 0.00 C ATOM 0 H THR A 39 5.865 -1.039 -9.165 1.00 0.00 H new ATOM 0 HA THR A 39 7.645 -1.122 -6.815 1.00 0.00 H new ATOM 0 HB THR A 39 8.459 1.025 -7.770 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.481 1.727 -9.760 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.283 0.116 -9.920 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.353 -1.115 -8.637 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.053 -1.168 -9.850 1.00 0.00 H new ATOM 600 N VAL A 40 6.747 0.991 -5.549 1.00 0.00 N ATOM 601 CA VAL A 40 5.993 1.871 -4.611 1.00 0.00 C ATOM 602 C VAL A 40 5.427 3.077 -5.369 1.00 0.00 C ATOM 603 O VAL A 40 4.289 3.463 -5.178 1.00 0.00 O ATOM 604 CB VAL A 40 6.943 2.359 -3.515 1.00 0.00 C ATOM 605 CG1 VAL A 40 6.235 3.394 -2.639 1.00 0.00 C ATOM 606 CG2 VAL A 40 7.381 1.171 -2.654 1.00 0.00 C ATOM 0 H VAL A 40 7.748 0.922 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 40 5.170 1.311 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 40 7.818 2.818 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.916 3.738 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.928 4.241 -3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.357 2.941 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.058 1.518 -1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.505 0.710 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.892 0.438 -3.278 1.00 0.00 H new ATOM 616 N ALA A 41 6.213 3.681 -6.218 1.00 0.00 N ATOM 617 CA ALA A 41 5.721 4.868 -6.974 1.00 0.00 C ATOM 618 C ALA A 41 4.489 4.474 -7.786 1.00 0.00 C ATOM 619 O ALA A 41 3.512 5.195 -7.842 1.00 0.00 O ATOM 620 CB ALA A 41 6.822 5.362 -7.916 1.00 0.00 C ATOM 0 H ALA A 41 7.174 3.404 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 41 5.457 5.664 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.464 6.230 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.701 5.640 -7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.085 4.569 -8.615 1.00 0.00 H new ATOM 626 N GLN A 42 4.522 3.329 -8.406 1.00 0.00 N ATOM 627 CA GLN A 42 3.348 2.878 -9.201 1.00 0.00 C ATOM 628 C GLN A 42 2.180 2.602 -8.254 1.00 0.00 C ATOM 629 O GLN A 42 1.037 2.880 -8.561 1.00 0.00 O ATOM 630 CB GLN A 42 3.708 1.604 -9.964 1.00 0.00 C ATOM 631 CG GLN A 42 4.718 1.938 -11.062 1.00 0.00 C ATOM 632 CD GLN A 42 5.143 0.653 -11.772 1.00 0.00 C ATOM 633 OE1 GLN A 42 4.631 -0.410 -11.485 1.00 0.00 O ATOM 634 NE2 GLN A 42 6.065 0.706 -12.693 1.00 0.00 N ATOM 0 H GLN A 42 5.313 2.685 -8.396 1.00 0.00 H new ATOM 0 HA GLN A 42 3.064 3.652 -9.914 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.127 0.865 -9.282 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.812 1.163 -10.401 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.277 2.632 -11.777 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.588 2.433 -10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.495 1.599 -12.934 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.356 -0.146 -13.173 1.00 0.00 H new ATOM 643 N LEU A 43 2.461 2.054 -7.103 1.00 0.00 N ATOM 644 CA LEU A 43 1.371 1.757 -6.133 1.00 0.00 C ATOM 645 C LEU A 43 0.697 3.065 -5.719 1.00 0.00 C ATOM 646 O LEU A 43 -0.512 3.157 -5.645 1.00 0.00 O ATOM 647 CB LEU A 43 1.964 1.069 -4.897 1.00 0.00 C ATOM 648 CG LEU A 43 0.865 0.781 -3.863 1.00 0.00 C ATOM 649 CD1 LEU A 43 -0.231 -0.103 -4.482 1.00 0.00 C ATOM 650 CD2 LEU A 43 1.486 0.066 -2.658 1.00 0.00 C ATOM 0 H LEU A 43 3.399 1.799 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 43 0.635 1.098 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.449 0.138 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.732 1.703 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 43 0.416 1.721 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.003 -0.299 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.672 0.410 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.205 -1.047 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.712 -0.142 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.937 -0.871 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.251 0.702 -2.212 1.00 0.00 H new ATOM 662 N LYS A 44 1.472 4.080 -5.455 1.00 0.00 N ATOM 663 CA LYS A 44 0.877 5.385 -5.057 1.00 0.00 C ATOM 664 C LYS A 44 0.014 5.908 -6.201 1.00 0.00 C ATOM 665 O LYS A 44 -1.045 6.461 -5.991 1.00 0.00 O ATOM 666 CB LYS A 44 1.990 6.388 -4.741 1.00 0.00 C ATOM 667 CG LYS A 44 2.664 6.001 -3.423 1.00 0.00 C ATOM 668 CD LYS A 44 3.790 6.992 -3.117 1.00 0.00 C ATOM 669 CE LYS A 44 4.432 6.640 -1.773 1.00 0.00 C ATOM 670 NZ LYS A 44 5.555 7.581 -1.500 1.00 0.00 N ATOM 0 H LYS A 44 2.491 4.062 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 44 0.262 5.252 -4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.723 6.400 -5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.578 7.395 -4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.933 6.003 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.063 4.989 -3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.539 6.963 -3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.396 8.008 -3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.691 6.700 -0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.799 5.614 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.993 7.344 -0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.265 7.502 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.192 8.555 -1.467 1.00 0.00 H new ATOM 684 N THR A 45 0.457 5.733 -7.414 1.00 0.00 N ATOM 685 CA THR A 45 -0.341 6.213 -8.575 1.00 0.00 C ATOM 686 C THR A 45 -1.693 5.495 -8.587 1.00 0.00 C ATOM 687 O THR A 45 -2.730 6.105 -8.752 1.00 0.00 O ATOM 688 CB THR A 45 0.418 5.900 -9.865 1.00 0.00 C ATOM 689 OG1 THR A 45 1.759 6.351 -9.741 1.00 0.00 O ATOM 690 CG2 THR A 45 -0.253 6.608 -11.042 1.00 0.00 C ATOM 0 H THR A 45 1.338 5.278 -7.652 1.00 0.00 H new ATOM 0 HA THR A 45 -0.502 7.288 -8.498 1.00 0.00 H new ATOM 0 HB THR A 45 0.408 4.824 -10.041 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.256 5.742 -9.156 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.290 6.383 -11.960 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.282 6.262 -11.136 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.246 7.684 -10.871 1.00 0.00 H new ATOM 698 N LYS A 46 -1.687 4.201 -8.410 1.00 0.00 N ATOM 699 CA LYS A 46 -2.971 3.445 -8.404 1.00 0.00 C ATOM 700 C LYS A 46 -3.822 3.909 -7.221 1.00 0.00 C ATOM 701 O LYS A 46 -5.007 4.144 -7.346 1.00 0.00 O ATOM 702 CB LYS A 46 -2.673 1.949 -8.263 1.00 0.00 C ATOM 703 CG LYS A 46 -1.986 1.442 -9.532 1.00 0.00 C ATOM 704 CD LYS A 46 -1.673 -0.048 -9.381 1.00 0.00 C ATOM 705 CE LYS A 46 -1.068 -0.580 -10.682 1.00 0.00 C ATOM 706 NZ LYS A 46 0.231 0.104 -10.942 1.00 0.00 N ATOM 0 H LYS A 46 -0.849 3.636 -8.270 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.511 3.624 -9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.034 1.775 -7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.598 1.398 -8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.630 1.604 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.068 2.001 -9.710 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.978 -0.202 -8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.582 -0.598 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.916 -1.657 -10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.754 -0.408 -11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.775 -0.439 -11.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.052 1.061 -11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.773 0.167 -10.057 1.00 0.00 H new ATOM 720 N LEU A 47 -3.216 4.050 -6.076 1.00 0.00 N ATOM 721 CA LEU A 47 -3.967 4.507 -4.874 1.00 0.00 C ATOM 722 C LEU A 47 -4.443 5.945 -5.092 1.00 0.00 C ATOM 723 O LEU A 47 -5.531 6.318 -4.700 1.00 0.00 O ATOM 724 CB LEU A 47 -3.050 4.448 -3.650 1.00 0.00 C ATOM 725 CG LEU A 47 -2.722 2.986 -3.316 1.00 0.00 C ATOM 726 CD1 LEU A 47 -1.640 2.952 -2.233 1.00 0.00 C ATOM 727 CD2 LEU A 47 -3.985 2.250 -2.820 1.00 0.00 C ATOM 0 H LEU A 47 -2.225 3.867 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.829 3.860 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.131 5.001 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.534 4.925 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.362 2.484 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.401 1.917 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.744 3.455 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.003 3.460 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.735 1.215 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.364 2.742 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.749 2.273 -3.598 1.00 0.00 H new ATOM 739 N GLU A 48 -3.625 6.754 -5.706 1.00 0.00 N ATOM 740 CA GLU A 48 -4.009 8.173 -5.946 1.00 0.00 C ATOM 741 C GLU A 48 -5.337 8.214 -6.697 1.00 0.00 C ATOM 742 O GLU A 48 -6.248 8.929 -6.332 1.00 0.00 O ATOM 743 CB GLU A 48 -2.930 8.845 -6.796 1.00 0.00 C ATOM 744 CG GLU A 48 -3.227 10.337 -6.911 1.00 0.00 C ATOM 745 CD GLU A 48 -2.170 11.004 -7.794 1.00 0.00 C ATOM 746 OE1 GLU A 48 -1.433 10.284 -8.446 1.00 0.00 O ATOM 747 OE2 GLU A 48 -2.118 12.222 -7.803 1.00 0.00 O ATOM 0 H GLU A 48 -2.703 6.492 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.109 8.695 -4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.950 8.692 -6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.899 8.392 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.219 10.489 -7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.231 10.795 -5.922 1.00 0.00 H new ATOM 754 N ILE A 49 -5.456 7.445 -7.740 1.00 0.00 N ATOM 755 CA ILE A 49 -6.727 7.425 -8.514 1.00 0.00 C ATOM 756 C ILE A 49 -7.844 6.868 -7.629 1.00 0.00 C ATOM 757 O ILE A 49 -8.951 7.373 -7.605 1.00 0.00 O ATOM 758 CB ILE A 49 -6.545 6.534 -9.744 1.00 0.00 C ATOM 759 CG1 ILE A 49 -5.559 7.202 -10.705 1.00 0.00 C ATOM 760 CG2 ILE A 49 -7.890 6.334 -10.448 1.00 0.00 C ATOM 761 CD1 ILE A 49 -5.154 6.212 -11.797 1.00 0.00 C ATOM 0 H ILE A 49 -4.725 6.827 -8.092 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.990 8.434 -8.832 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.159 5.563 -9.434 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.014 8.086 -11.152 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.677 7.539 -10.160 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.752 5.699 -11.323 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.593 5.860 -9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.284 7.301 -10.761 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.452 6.691 -12.480 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.682 5.342 -11.342 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.039 5.897 -12.349 1.00 0.00 H new ATOM 773 N LEU A 50 -7.556 5.821 -6.908 1.00 0.00 N ATOM 774 CA LEU A 50 -8.580 5.199 -6.023 1.00 0.00 C ATOM 775 C LEU A 50 -9.008 6.183 -4.933 1.00 0.00 C ATOM 776 O LEU A 50 -10.175 6.291 -4.608 1.00 0.00 O ATOM 777 CB LEU A 50 -7.979 3.941 -5.382 1.00 0.00 C ATOM 778 CG LEU A 50 -9.033 3.222 -4.495 1.00 0.00 C ATOM 779 CD1 LEU A 50 -8.923 1.705 -4.680 1.00 0.00 C ATOM 780 CD2 LEU A 50 -8.793 3.550 -3.012 1.00 0.00 C ATOM 0 H LEU A 50 -6.644 5.364 -6.894 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.458 4.934 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.627 3.263 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.112 4.212 -4.779 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.024 3.565 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.665 1.208 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.101 1.452 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.925 1.375 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.538 3.040 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.797 3.217 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.874 4.626 -2.860 1.00 0.00 H new ATOM 792 N THR A 51 -8.079 6.895 -4.356 1.00 0.00 N ATOM 793 CA THR A 51 -8.439 7.863 -3.277 1.00 0.00 C ATOM 794 C THR A 51 -8.667 9.249 -3.886 1.00 0.00 C ATOM 795 O THR A 51 -9.240 10.123 -3.266 1.00 0.00 O ATOM 796 CB THR A 51 -7.288 7.937 -2.269 1.00 0.00 C ATOM 797 OG1 THR A 51 -6.095 8.300 -2.949 1.00 0.00 O ATOM 798 CG2 THR A 51 -7.101 6.574 -1.600 1.00 0.00 C ATOM 0 H THR A 51 -7.086 6.849 -4.584 1.00 0.00 H new ATOM 0 HA THR A 51 -9.350 7.533 -2.778 1.00 0.00 H new ATOM 0 HB THR A 51 -7.518 8.682 -1.507 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.781 7.543 -3.486 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.281 6.630 -0.883 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.018 6.294 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.870 5.825 -2.358 1.00 0.00 H new ATOM 806 N GLY A 52 -8.229 9.454 -5.096 1.00 0.00 N ATOM 807 CA GLY A 52 -8.428 10.781 -5.745 1.00 0.00 C ATOM 808 C GLY A 52 -7.586 11.832 -5.020 1.00 0.00 C ATOM 809 O GLY A 52 -7.623 13.003 -5.343 1.00 0.00 O ATOM 0 H GLY A 52 -7.742 8.761 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.142 10.731 -6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.482 11.059 -5.715 1.00 0.00 H new ATOM 813 N GLY A 53 -6.836 11.422 -4.033 1.00 0.00 N ATOM 814 CA GLY A 53 -5.998 12.392 -3.269 1.00 0.00 C ATOM 815 C GLY A 53 -4.765 12.786 -4.082 1.00 0.00 C ATOM 816 O GLY A 53 -4.641 12.456 -5.243 1.00 0.00 O ATOM 0 H GLY A 53 -6.767 10.453 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.584 13.280 -3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.691 11.950 -2.321 1.00 0.00 H new ATOM 820 N CYS A 54 -3.855 13.505 -3.474 1.00 0.00 N ATOM 821 CA CYS A 54 -2.616 13.940 -4.191 1.00 0.00 C ATOM 822 C CYS A 54 -1.473 12.976 -3.857 1.00 0.00 C ATOM 823 O CYS A 54 -1.105 12.804 -2.713 1.00 0.00 O ATOM 824 CB CYS A 54 -2.250 15.358 -3.742 1.00 0.00 C ATOM 825 SG CYS A 54 -0.540 15.735 -4.208 1.00 0.00 S ATOM 0 H CYS A 54 -3.918 13.812 -2.503 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.787 13.934 -5.268 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.927 16.079 -4.199 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.370 15.449 -2.662 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.315 15.309 -5.416 1.00 0.00 H new ATOM 831 N ALA A 55 -0.914 12.347 -4.853 1.00 0.00 N ATOM 832 CA ALA A 55 0.200 11.388 -4.609 1.00 0.00 C ATOM 833 C ALA A 55 1.389 12.111 -3.969 1.00 0.00 C ATOM 834 O ALA A 55 2.148 11.532 -3.216 1.00 0.00 O ATOM 835 CB ALA A 55 0.641 10.782 -5.943 1.00 0.00 C ATOM 0 H ALA A 55 -1.182 12.457 -5.831 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.145 10.604 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.456 10.079 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.199 10.259 -6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.980 11.576 -6.609 1.00 0.00 H new ATOM 841 N GLY A 56 1.567 13.366 -4.273 1.00 0.00 N ATOM 842 CA GLY A 56 2.717 14.122 -3.697 1.00 0.00 C ATOM 843 C GLY A 56 2.575 14.232 -2.177 1.00 0.00 C ATOM 844 O GLY A 56 3.554 14.226 -1.455 1.00 0.00 O ATOM 0 H GLY A 56 0.965 13.903 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.652 13.620 -3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.763 15.118 -4.137 1.00 0.00 H new ATOM 848 N THR A 57 1.368 14.350 -1.684 1.00 0.00 N ATOM 849 CA THR A 57 1.158 14.478 -0.205 1.00 0.00 C ATOM 850 C THR A 57 0.636 13.159 0.365 1.00 0.00 C ATOM 851 O THR A 57 0.473 13.014 1.561 1.00 0.00 O ATOM 852 CB THR A 57 0.127 15.577 0.057 1.00 0.00 C ATOM 853 OG1 THR A 57 -1.108 15.217 -0.547 1.00 0.00 O ATOM 854 CG2 THR A 57 0.621 16.896 -0.536 1.00 0.00 C ATOM 0 H THR A 57 0.514 14.363 -2.242 1.00 0.00 H new ATOM 0 HA THR A 57 2.105 14.726 0.274 1.00 0.00 H new ATOM 0 HB THR A 57 -0.013 15.696 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.847 15.617 -0.043 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.115 17.678 -0.348 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.569 17.171 -0.073 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.762 16.781 -1.611 1.00 0.00 H new ATOM 862 N MET A 58 0.361 12.197 -0.474 1.00 0.00 N ATOM 863 CA MET A 58 -0.164 10.893 0.030 1.00 0.00 C ATOM 864 C MET A 58 0.995 9.970 0.395 1.00 0.00 C ATOM 865 O MET A 58 1.872 9.707 -0.404 1.00 0.00 O ATOM 866 CB MET A 58 -1.025 10.236 -1.053 1.00 0.00 C ATOM 867 CG MET A 58 -1.763 9.033 -0.472 1.00 0.00 C ATOM 868 SD MET A 58 -3.068 8.499 -1.611 1.00 0.00 S ATOM 869 CE MET A 58 -2.035 8.220 -3.068 1.00 0.00 C ATOM 0 H MET A 58 0.477 12.256 -1.486 1.00 0.00 H new ATOM 0 HA MET A 58 -0.770 11.070 0.919 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.741 10.957 -1.447 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.398 9.921 -1.887 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.063 8.216 -0.298 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.196 9.293 0.494 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.392 7.340 -3.604 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.087 9.090 -3.723 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.002 8.061 -2.757 1.00 0.00 H new ATOM 879 N LYS A 59 0.995 9.473 1.606 1.00 0.00 N ATOM 880 CA LYS A 59 2.079 8.552 2.067 1.00 0.00 C ATOM 881 C LYS A 59 1.483 7.168 2.314 1.00 0.00 C ATOM 882 O LYS A 59 0.322 7.035 2.648 1.00 0.00 O ATOM 883 CB LYS A 59 2.681 9.087 3.365 1.00 0.00 C ATOM 884 CG LYS A 59 3.408 10.402 3.074 1.00 0.00 C ATOM 885 CD LYS A 59 4.176 10.863 4.316 1.00 0.00 C ATOM 886 CE LYS A 59 3.199 11.301 5.411 1.00 0.00 C ATOM 887 NZ LYS A 59 3.936 12.089 6.438 1.00 0.00 N ATOM 0 H LYS A 59 0.279 9.669 2.305 1.00 0.00 H new ATOM 0 HA LYS A 59 2.858 8.487 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.897 9.246 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.374 8.359 3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.096 10.269 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.690 11.166 2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.806 10.053 4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.838 11.690 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.397 11.901 4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.733 10.429 5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.277 12.389 7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.686 11.501 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.360 12.928 5.993 1.00 0.00 H new ATOM 901 N VAL A 60 2.269 6.135 2.143 1.00 0.00 N ATOM 902 CA VAL A 60 1.762 4.742 2.351 1.00 0.00 C ATOM 903 C VAL A 60 2.461 4.123 3.562 1.00 0.00 C ATOM 904 O VAL A 60 3.667 4.193 3.698 1.00 0.00 O ATOM 905 CB VAL A 60 2.068 3.909 1.102 1.00 0.00 C ATOM 906 CG1 VAL A 60 1.787 2.427 1.380 1.00 0.00 C ATOM 907 CG2 VAL A 60 1.186 4.390 -0.051 1.00 0.00 C ATOM 0 H VAL A 60 3.249 6.197 1.866 1.00 0.00 H new ATOM 0 HA VAL A 60 0.686 4.761 2.526 1.00 0.00 H new ATOM 0 HB VAL A 60 3.119 4.027 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.007 1.841 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.416 2.085 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.738 2.300 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.399 3.801 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.137 4.272 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.392 5.441 -0.253 1.00 0.00 H new ATOM 917 N GLN A 61 1.705 3.513 4.440 1.00 0.00 N ATOM 918 CA GLN A 61 2.300 2.873 5.654 1.00 0.00 C ATOM 919 C GLN A 61 1.783 1.440 5.774 1.00 0.00 C ATOM 920 O GLN A 61 0.616 1.170 5.567 1.00 0.00 O ATOM 921 CB GLN A 61 1.891 3.662 6.898 1.00 0.00 C ATOM 922 CG GLN A 61 2.610 5.011 6.906 1.00 0.00 C ATOM 923 CD GLN A 61 2.154 5.823 8.119 1.00 0.00 C ATOM 924 OE1 GLN A 61 1.001 6.193 8.219 1.00 0.00 O ATOM 925 NE2 GLN A 61 3.017 6.115 9.052 1.00 0.00 N ATOM 0 H GLN A 61 0.691 3.430 4.367 1.00 0.00 H new ATOM 0 HA GLN A 61 3.386 2.866 5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.812 3.813 6.907 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.141 3.099 7.797 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.689 4.860 6.940 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.394 5.556 5.987 1.00 0.00 H new ATOM 0 HE21 GLN A 61 3.985 5.804 8.967 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.724 6.654 9.867 1.00 0.00 H new ATOM 934 N VAL A 62 2.646 0.520 6.109 1.00 0.00 N ATOM 935 CA VAL A 62 2.216 -0.901 6.249 1.00 0.00 C ATOM 936 C VAL A 62 1.782 -1.149 7.691 1.00 0.00 C ATOM 937 O VAL A 62 2.482 -0.804 8.622 1.00 0.00 O ATOM 938 CB VAL A 62 3.386 -1.824 5.906 1.00 0.00 C ATOM 939 CG1 VAL A 62 2.896 -3.273 5.870 1.00 0.00 C ATOM 940 CG2 VAL A 62 3.952 -1.447 4.536 1.00 0.00 C ATOM 0 H VAL A 62 3.635 0.692 6.293 1.00 0.00 H new ATOM 0 HA VAL A 62 1.386 -1.103 5.572 1.00 0.00 H new ATOM 0 HB VAL A 62 4.164 -1.719 6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.729 -3.933 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.492 -3.545 6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.118 -3.375 5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.786 -2.106 4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.174 -1.552 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.300 -0.414 4.558 1.00 0.00 H new ATOM 950 N PHE A 63 0.631 -1.742 7.884 1.00 0.00 N ATOM 951 CA PHE A 63 0.137 -2.020 9.270 1.00 0.00 C ATOM 952 C PHE A 63 -0.265 -3.485 9.399 1.00 0.00 C ATOM 953 O PHE A 63 -0.761 -4.100 8.472 1.00 0.00 O ATOM 954 CB PHE A 63 -1.081 -1.130 9.569 1.00 0.00 C ATOM 955 CG PHE A 63 -0.615 0.232 10.020 1.00 0.00 C ATOM 956 CD1 PHE A 63 -0.129 0.394 11.323 1.00 0.00 C ATOM 957 CD2 PHE A 63 -0.667 1.326 9.150 1.00 0.00 C ATOM 958 CE1 PHE A 63 0.307 1.649 11.756 1.00 0.00 C ATOM 959 CE2 PHE A 63 -0.231 2.583 9.583 1.00 0.00 C ATOM 960 CZ PHE A 63 0.255 2.745 10.886 1.00 0.00 C ATOM 0 H PHE A 63 0.007 -2.048 7.137 1.00 0.00 H new ATOM 0 HA PHE A 63 0.935 -1.804 9.981 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.703 -1.036 8.679 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.698 -1.589 10.342 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.091 -0.452 11.994 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.043 1.201 8.145 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.684 1.774 12.761 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.269 3.428 8.912 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.590 3.716 11.220 1.00 0.00 H new ATOM 970 N LYS A 64 -0.067 -4.040 10.563 1.00 0.00 N ATOM 971 CA LYS A 64 -0.443 -5.458 10.803 1.00 0.00 C ATOM 972 C LYS A 64 -0.904 -5.603 12.253 1.00 0.00 C ATOM 973 O LYS A 64 -0.108 -5.639 13.171 1.00 0.00 O ATOM 974 CB LYS A 64 0.768 -6.361 10.543 1.00 0.00 C ATOM 975 CG LYS A 64 0.302 -7.810 10.363 1.00 0.00 C ATOM 976 CD LYS A 64 1.478 -8.687 9.923 1.00 0.00 C ATOM 977 CE LYS A 64 2.482 -8.844 11.070 1.00 0.00 C ATOM 978 NZ LYS A 64 3.381 -9.997 10.780 1.00 0.00 N ATOM 0 H LYS A 64 0.344 -3.564 11.366 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.250 -5.752 10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.299 -6.026 9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.469 -6.295 11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.113 -8.186 11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.494 -7.855 9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.114 -9.666 9.613 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.970 -8.241 9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.067 -7.931 11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.955 -9.006 12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.065 -10.108 11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.815 -10.865 10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.892 -9.824 9.891 1.00 0.00 H new ATOM 992 N GLY A 65 -2.187 -5.682 12.465 1.00 0.00 N ATOM 993 CA GLY A 65 -2.708 -5.820 13.852 1.00 0.00 C ATOM 994 C GLY A 65 -2.499 -4.512 14.619 1.00 0.00 C ATOM 995 O GLY A 65 -2.862 -3.446 14.162 1.00 0.00 O ATOM 0 H GLY A 65 -2.899 -5.657 11.735 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.768 -6.072 13.828 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.197 -6.637 14.362 1.00 0.00 H new ATOM 999 N ASP A 66 -1.927 -4.594 15.791 1.00 0.00 N ATOM 1000 CA ASP A 66 -1.693 -3.371 16.619 1.00 0.00 C ATOM 1001 C ASP A 66 -0.222 -2.952 16.520 1.00 0.00 C ATOM 1002 O ASP A 66 0.245 -2.127 17.280 1.00 0.00 O ATOM 1003 CB ASP A 66 -2.028 -3.693 18.078 1.00 0.00 C ATOM 1004 CG ASP A 66 -1.912 -2.428 18.930 1.00 0.00 C ATOM 1005 OD1 ASP A 66 -1.813 -1.357 18.357 1.00 0.00 O ATOM 1006 OD2 ASP A 66 -1.925 -2.553 20.145 1.00 0.00 O ATOM 0 H ASP A 66 -1.608 -5.465 16.216 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.323 -2.558 16.259 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.038 -4.098 18.148 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.351 -4.459 18.455 1.00 0.00 H new ATOM 1011 N THR A 67 0.512 -3.523 15.595 1.00 0.00 N ATOM 1012 CA THR A 67 1.962 -3.176 15.441 1.00 0.00 C ATOM 1013 C THR A 67 2.262 -2.792 13.990 1.00 0.00 C ATOM 1014 O THR A 67 1.869 -3.471 13.059 1.00 0.00 O ATOM 1015 CB THR A 67 2.816 -4.382 15.835 1.00 0.00 C ATOM 1016 OG1 THR A 67 2.569 -4.708 17.195 1.00 0.00 O ATOM 1017 CG2 THR A 67 4.295 -4.041 15.649 1.00 0.00 C ATOM 0 H THR A 67 0.167 -4.220 14.935 1.00 0.00 H new ATOM 0 HA THR A 67 2.196 -2.330 16.087 1.00 0.00 H new ATOM 0 HB THR A 67 2.560 -5.234 15.205 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.114 -5.482 17.450 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.905 -4.900 15.930 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.482 -3.789 14.605 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.554 -3.191 16.280 1.00 0.00 H new ATOM 1025 N CYS A 68 2.957 -1.705 13.796 1.00 0.00 N ATOM 1026 CA CYS A 68 3.296 -1.260 12.414 1.00 0.00 C ATOM 1027 C CYS A 68 4.469 -2.083 11.883 1.00 0.00 C ATOM 1028 O CYS A 68 5.446 -2.308 12.569 1.00 0.00 O ATOM 1029 CB CYS A 68 3.694 0.215 12.449 1.00 0.00 C ATOM 1030 SG CYS A 68 4.887 0.483 13.784 1.00 0.00 S ATOM 0 H CYS A 68 3.307 -1.102 14.540 1.00 0.00 H new ATOM 0 HA CYS A 68 2.432 -1.398 11.764 1.00 0.00 H new ATOM 0 HB2 CYS A 68 4.128 0.509 11.493 1.00 0.00 H new ATOM 0 HB3 CYS A 68 2.813 0.838 12.603 1.00 0.00 H new ATOM 0 HG CYS A 68 5.648 -0.564 13.903 1.00 0.00 H new ATOM 1036 N VAL A 69 4.378 -2.534 10.661 1.00 0.00 N ATOM 1037 CA VAL A 69 5.488 -3.340 10.081 1.00 0.00 C ATOM 1038 C VAL A 69 6.591 -2.405 9.579 1.00 0.00 C ATOM 1039 O VAL A 69 7.725 -2.478 10.011 1.00 0.00 O ATOM 1040 CB VAL A 69 4.949 -4.162 8.909 1.00 0.00 C ATOM 1041 CG1 VAL A 69 6.075 -5.009 8.313 1.00 0.00 C ATOM 1042 CG2 VAL A 69 3.827 -5.075 9.405 1.00 0.00 C ATOM 0 H VAL A 69 3.583 -2.379 10.041 1.00 0.00 H new ATOM 0 HA VAL A 69 5.896 -4.004 10.843 1.00 0.00 H new ATOM 0 HB VAL A 69 4.561 -3.491 8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.688 -5.593 7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.873 -4.356 7.960 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.467 -5.682 9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.441 -5.662 8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.215 -5.745 10.172 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.024 -4.469 9.825 1.00 0.00 H new ATOM 1052 N SER A 70 6.261 -1.525 8.672 1.00 0.00 N ATOM 1053 CA SER A 70 7.284 -0.579 8.137 1.00 0.00 C ATOM 1054 C SER A 70 6.607 0.445 7.223 1.00 0.00 C ATOM 1055 O SER A 70 5.491 0.255 6.783 1.00 0.00 O ATOM 1056 CB SER A 70 8.332 -1.349 7.332 1.00 0.00 C ATOM 1057 OG SER A 70 7.716 -1.925 6.188 1.00 0.00 O ATOM 0 H SER A 70 5.326 -1.420 8.278 1.00 0.00 H new ATOM 0 HA SER A 70 7.766 -0.069 8.971 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.137 -0.680 7.028 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.781 -2.128 7.949 1.00 0.00 H new ATOM 0 HG SER A 70 8.351 -1.928 5.441 1.00 0.00 H new ATOM 1063 N THR A 71 7.287 1.526 6.928 1.00 0.00 N ATOM 1064 CA THR A 71 6.712 2.578 6.031 1.00 0.00 C ATOM 1065 C THR A 71 7.484 2.579 4.711 1.00 0.00 C ATOM 1066 O THR A 71 8.695 2.667 4.687 1.00 0.00 O ATOM 1067 CB THR A 71 6.848 3.944 6.707 1.00 0.00 C ATOM 1068 OG1 THR A 71 6.097 3.946 7.913 1.00 0.00 O ATOM 1069 CG2 THR A 71 6.320 5.035 5.774 1.00 0.00 C ATOM 0 H THR A 71 8.225 1.727 7.274 1.00 0.00 H new ATOM 0 HA THR A 71 5.659 2.373 5.840 1.00 0.00 H new ATOM 0 HB THR A 71 7.898 4.138 6.928 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.183 4.819 8.350 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.418 6.007 6.258 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.895 5.031 4.848 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.270 4.846 5.550 1.00 0.00 H new ATOM 1077 N MET A 72 6.791 2.472 3.611 1.00 0.00 N ATOM 1078 CA MET A 72 7.483 2.454 2.290 1.00 0.00 C ATOM 1079 C MET A 72 8.172 3.798 2.049 1.00 0.00 C ATOM 1080 O MET A 72 7.628 4.688 1.427 1.00 0.00 O ATOM 1081 CB MET A 72 6.451 2.191 1.193 1.00 0.00 C ATOM 1082 CG MET A 72 5.919 0.764 1.340 1.00 0.00 C ATOM 1083 SD MET A 72 4.681 0.438 0.062 1.00 0.00 S ATOM 1084 CE MET A 72 4.090 -1.140 0.722 1.00 0.00 C ATOM 0 H MET A 72 5.775 2.396 3.569 1.00 0.00 H new ATOM 0 HA MET A 72 8.237 1.667 2.278 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.633 2.907 1.267 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.904 2.324 0.211 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.738 0.050 1.256 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.479 0.630 2.328 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.451 -1.626 -0.015 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.941 -1.783 0.945 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.521 -0.962 1.634 1.00 0.00 H new ATOM 1094 N ASP A 73 9.373 3.949 2.546 1.00 0.00 N ATOM 1095 CA ASP A 73 10.119 5.230 2.361 1.00 0.00 C ATOM 1096 C ASP A 73 11.037 5.127 1.138 1.00 0.00 C ATOM 1097 O ASP A 73 11.404 6.120 0.542 1.00 0.00 O ATOM 1098 CB ASP A 73 10.963 5.496 3.608 1.00 0.00 C ATOM 1099 CG ASP A 73 11.863 4.287 3.878 1.00 0.00 C ATOM 1100 OD1 ASP A 73 11.726 3.303 3.170 1.00 0.00 O ATOM 1101 OD2 ASP A 73 12.673 4.367 4.787 1.00 0.00 O ATOM 0 H ASP A 73 9.872 3.235 3.076 1.00 0.00 H new ATOM 0 HA ASP A 73 9.412 6.045 2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.569 6.391 3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.317 5.681 4.466 1.00 0.00 H new ATOM 1106 N ASN A 74 11.418 3.933 0.765 1.00 0.00 N ATOM 1107 CA ASN A 74 12.322 3.761 -0.415 1.00 0.00 C ATOM 1108 C ASN A 74 11.494 3.547 -1.685 1.00 0.00 C ATOM 1109 O ASN A 74 10.907 2.504 -1.893 1.00 0.00 O ATOM 1110 CB ASN A 74 13.229 2.553 -0.177 1.00 0.00 C ATOM 1111 CG ASN A 74 14.276 2.910 0.880 1.00 0.00 C ATOM 1112 OD1 ASN A 74 14.555 4.070 1.105 1.00 0.00 O ATOM 1113 ND2 ASN A 74 14.866 1.957 1.547 1.00 0.00 N ATOM 0 H ASN A 74 11.142 3.066 1.227 1.00 0.00 H new ATOM 0 HA ASN A 74 12.929 4.657 -0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.638 1.699 0.153 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.718 2.262 -1.107 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.561 2.186 2.257 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.632 0.982 1.358 1.00 0.00 H new ATOM 1120 N ASN A 75 11.447 4.539 -2.535 1.00 0.00 N ATOM 1121 CA ASN A 75 10.664 4.422 -3.800 1.00 0.00 C ATOM 1122 C ASN A 75 11.273 3.337 -4.692 1.00 0.00 C ATOM 1123 O ASN A 75 10.573 2.588 -5.345 1.00 0.00 O ATOM 1124 CB ASN A 75 10.702 5.759 -4.544 1.00 0.00 C ATOM 1125 CG ASN A 75 9.883 6.803 -3.779 1.00 0.00 C ATOM 1126 OD1 ASN A 75 9.137 6.430 -2.775 1.00 0.00 O flip ATOM 1127 ND2 ASN A 75 9.928 7.975 -4.097 1.00 0.00 N flip ATOM 0 H ASN A 75 11.922 5.433 -2.406 1.00 0.00 H new ATOM 0 HA ASN A 75 9.634 4.158 -3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 75 11.733 6.098 -4.649 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.303 5.637 -5.551 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.510 8.269 -4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.383 8.665 -3.580 1.00 0.00 H new ATOM 1134 N ASP A 76 12.573 3.262 -4.736 1.00 0.00 N ATOM 1135 CA ASP A 76 13.240 2.244 -5.597 1.00 0.00 C ATOM 1136 C ASP A 76 12.941 0.839 -5.068 1.00 0.00 C ATOM 1137 O ASP A 76 13.374 -0.149 -5.625 1.00 0.00 O ATOM 1138 CB ASP A 76 14.753 2.484 -5.567 1.00 0.00 C ATOM 1139 CG ASP A 76 15.445 1.545 -6.556 1.00 0.00 C ATOM 1140 OD1 ASP A 76 14.750 0.938 -7.354 1.00 0.00 O ATOM 1141 OD2 ASP A 76 16.660 1.449 -6.499 1.00 0.00 O ATOM 0 H ASP A 76 13.206 3.865 -4.210 1.00 0.00 H new ATOM 0 HA ASP A 76 12.867 2.329 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.971 3.521 -5.822 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.138 2.315 -4.561 1.00 0.00 H new ATOM 1146 N ALA A 77 12.206 0.743 -3.993 1.00 0.00 N ATOM 1147 CA ALA A 77 11.886 -0.600 -3.422 1.00 0.00 C ATOM 1148 C ALA A 77 10.655 -1.184 -4.117 1.00 0.00 C ATOM 1149 O ALA A 77 9.798 -0.470 -4.598 1.00 0.00 O ATOM 1150 CB ALA A 77 11.609 -0.460 -1.926 1.00 0.00 C ATOM 0 H ALA A 77 11.813 1.535 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 77 12.733 -1.268 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.375 -1.438 -1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.490 -0.053 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.764 0.212 -1.774 1.00 0.00 H new ATOM 1156 N GLN A 78 10.567 -2.487 -4.171 1.00 0.00 N ATOM 1157 CA GLN A 78 9.402 -3.143 -4.833 1.00 0.00 C ATOM 1158 C GLN A 78 8.275 -3.362 -3.823 1.00 0.00 C ATOM 1159 O GLN A 78 8.473 -3.292 -2.627 1.00 0.00 O ATOM 1160 CB GLN A 78 9.835 -4.495 -5.397 1.00 0.00 C ATOM 1161 CG GLN A 78 10.767 -4.273 -6.587 1.00 0.00 C ATOM 1162 CD GLN A 78 11.188 -5.623 -7.168 1.00 0.00 C ATOM 1163 OE1 GLN A 78 10.745 -6.722 -6.621 1.00 0.00 O flip ATOM 1164 NE2 GLN A 78 11.924 -5.679 -8.133 1.00 0.00 N flip ATOM 0 H GLN A 78 11.257 -3.129 -3.782 1.00 0.00 H new ATOM 0 HA GLN A 78 9.044 -2.499 -5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.342 -5.077 -4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 78 8.962 -5.069 -5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.264 -3.678 -7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.646 -3.711 -6.273 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.270 -4.820 -8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.195 -6.585 -8.515 1.00 0.00 H new ATOM 1173 N LEU A 79 7.092 -3.633 -4.304 1.00 0.00 N ATOM 1174 CA LEU A 79 5.942 -3.869 -3.388 1.00 0.00 C ATOM 1175 C LEU A 79 6.219 -5.109 -2.539 1.00 0.00 C ATOM 1176 O LEU A 79 5.942 -5.142 -1.355 1.00 0.00 O ATOM 1177 CB LEU A 79 4.667 -4.080 -4.217 1.00 0.00 C ATOM 1178 CG LEU A 79 3.480 -4.422 -3.304 1.00 0.00 C ATOM 1179 CD1 LEU A 79 3.296 -3.329 -2.240 1.00 0.00 C ATOM 1180 CD2 LEU A 79 2.211 -4.528 -4.158 1.00 0.00 C ATOM 0 H LEU A 79 6.873 -3.701 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 79 5.808 -3.007 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.445 -3.179 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.823 -4.884 -4.936 1.00 0.00 H new ATOM 0 HG LEU A 79 3.671 -5.370 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.452 -3.583 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.200 -3.254 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.106 -2.374 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.362 -4.771 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.029 -3.577 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.339 -5.312 -4.904 1.00 0.00 H new ATOM 1192 N GLY A 80 6.759 -6.137 -3.136 1.00 0.00 N ATOM 1193 CA GLY A 80 7.045 -7.379 -2.365 1.00 0.00 C ATOM 1194 C GLY A 80 8.249 -7.148 -1.452 1.00 0.00 C ATOM 1195 O GLY A 80 8.601 -7.988 -0.647 1.00 0.00 O ATOM 0 H GLY A 80 7.014 -6.170 -4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.175 -7.660 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.246 -8.205 -3.047 1.00 0.00 H new ATOM 1199 N TYR A 81 8.881 -6.013 -1.565 1.00 0.00 N ATOM 1200 CA TYR A 81 10.057 -5.728 -0.698 1.00 0.00 C ATOM 1201 C TYR A 81 9.602 -5.716 0.763 1.00 0.00 C ATOM 1202 O TYR A 81 10.239 -6.280 1.630 1.00 0.00 O ATOM 1203 CB TYR A 81 10.643 -4.364 -1.065 1.00 0.00 C ATOM 1204 CG TYR A 81 11.936 -4.153 -0.314 1.00 0.00 C ATOM 1205 CD1 TYR A 81 13.144 -4.568 -0.884 1.00 0.00 C ATOM 1206 CD2 TYR A 81 11.928 -3.545 0.947 1.00 0.00 C ATOM 1207 CE1 TYR A 81 14.347 -4.375 -0.196 1.00 0.00 C ATOM 1208 CE2 TYR A 81 13.131 -3.351 1.637 1.00 0.00 C ATOM 1209 CZ TYR A 81 14.341 -3.767 1.065 1.00 0.00 C ATOM 1210 OH TYR A 81 15.526 -3.576 1.744 1.00 0.00 O ATOM 0 H TYR A 81 8.634 -5.271 -2.220 1.00 0.00 H new ATOM 0 HA TYR A 81 10.819 -6.494 -0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 81 10.821 -4.310 -2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 81 9.934 -3.574 -0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.148 -5.038 -1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 81 10.995 -3.226 1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.279 -4.695 -0.637 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.126 -2.881 2.609 1.00 0.00 H new ATOM 0 HH TYR A 81 15.344 -3.140 2.603 1.00 0.00 H new ATOM 1220 N TYR A 82 8.495 -5.072 1.037 1.00 0.00 N ATOM 1221 CA TYR A 82 7.974 -5.009 2.437 1.00 0.00 C ATOM 1222 C TYR A 82 6.828 -6.008 2.597 1.00 0.00 C ATOM 1223 O TYR A 82 6.805 -6.804 3.515 1.00 0.00 O ATOM 1224 CB TYR A 82 7.439 -3.603 2.718 1.00 0.00 C ATOM 1225 CG TYR A 82 8.570 -2.603 2.679 1.00 0.00 C ATOM 1226 CD1 TYR A 82 9.440 -2.488 3.769 1.00 0.00 C ATOM 1227 CD2 TYR A 82 8.745 -1.787 1.554 1.00 0.00 C ATOM 1228 CE1 TYR A 82 10.486 -1.557 3.734 1.00 0.00 C ATOM 1229 CE2 TYR A 82 9.790 -0.857 1.520 1.00 0.00 C ATOM 1230 CZ TYR A 82 10.660 -0.741 2.610 1.00 0.00 C ATOM 1231 OH TYR A 82 11.690 0.177 2.577 1.00 0.00 O ATOM 0 H TYR A 82 7.926 -4.584 0.346 1.00 0.00 H new ATOM 0 HA TYR A 82 8.779 -5.248 3.132 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.683 -3.338 1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 82 6.954 -3.578 3.694 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.305 -3.117 4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.073 -1.876 0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.158 -1.469 4.574 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.925 -0.228 0.652 1.00 0.00 H new ATOM 0 HH TYR A 82 11.343 1.066 2.801 1.00 0.00 H new ATOM 1241 N ALA A 83 5.867 -5.961 1.714 1.00 0.00 N ATOM 1242 CA ALA A 83 4.711 -6.893 1.818 1.00 0.00 C ATOM 1243 C ALA A 83 5.126 -8.300 1.384 1.00 0.00 C ATOM 1244 O ALA A 83 5.907 -8.480 0.470 1.00 0.00 O ATOM 1245 CB ALA A 83 3.576 -6.397 0.923 1.00 0.00 C ATOM 0 H ALA A 83 5.834 -5.316 0.925 1.00 0.00 H new ATOM 0 HA ALA A 83 4.374 -6.927 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.729 -7.079 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.270 -5.401 1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.919 -6.357 -0.111 1.00 0.00 H new ATOM 1251 N ASN A 84 4.593 -9.295 2.034 1.00 0.00 N ATOM 1252 CA ASN A 84 4.929 -10.701 1.677 1.00 0.00 C ATOM 1253 C ASN A 84 3.972 -11.637 2.418 1.00 0.00 C ATOM 1254 O ASN A 84 4.292 -12.774 2.703 1.00 0.00 O ATOM 1255 CB ASN A 84 6.374 -11.003 2.083 1.00 0.00 C ATOM 1256 CG ASN A 84 6.773 -12.396 1.585 1.00 0.00 C ATOM 1257 OD1 ASN A 84 6.232 -12.887 0.613 1.00 0.00 O ATOM 1258 ND2 ASN A 84 7.707 -13.055 2.214 1.00 0.00 N ATOM 0 H ASN A 84 3.933 -9.194 2.805 1.00 0.00 H new ATOM 0 HA ASN A 84 4.828 -10.848 0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.044 -10.252 1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.475 -10.952 3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.983 -13.982 1.890 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.161 -12.643 3.029 1.00 0.00 H new ATOM 1265 N SER A 85 2.793 -11.160 2.737 1.00 0.00 N ATOM 1266 CA SER A 85 1.803 -12.012 3.463 1.00 0.00 C ATOM 1267 C SER A 85 0.380 -11.608 3.062 1.00 0.00 C ATOM 1268 O SER A 85 0.085 -10.447 2.852 1.00 0.00 O ATOM 1269 CB SER A 85 1.977 -11.820 4.970 1.00 0.00 C ATOM 1270 OG SER A 85 1.092 -12.692 5.659 1.00 0.00 O ATOM 0 H SER A 85 2.474 -10.215 2.525 1.00 0.00 H new ATOM 0 HA SER A 85 1.969 -13.058 3.204 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.008 -12.027 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.772 -10.785 5.243 1.00 0.00 H new ATOM 0 HG SER A 85 1.202 -12.573 6.626 1.00 0.00 H new ATOM 1276 N ASP A 86 -0.501 -12.564 2.953 1.00 0.00 N ATOM 1277 CA ASP A 86 -1.911 -12.262 2.565 1.00 0.00 C ATOM 1278 C ASP A 86 -2.727 -11.886 3.807 1.00 0.00 C ATOM 1279 O ASP A 86 -2.796 -12.635 4.762 1.00 0.00 O ATOM 1280 CB ASP A 86 -2.524 -13.498 1.906 1.00 0.00 C ATOM 1281 CG ASP A 86 -3.957 -13.192 1.476 1.00 0.00 C ATOM 1282 OD1 ASP A 86 -4.438 -12.122 1.809 1.00 0.00 O ATOM 1283 OD2 ASP A 86 -4.553 -14.035 0.823 1.00 0.00 O ATOM 0 H ASP A 86 -0.304 -13.551 3.117 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.923 -11.425 1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.930 -13.794 1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.514 -14.337 2.602 1.00 0.00 H new ATOM 1288 N GLY A 87 -3.351 -10.731 3.796 1.00 0.00 N ATOM 1289 CA GLY A 87 -4.174 -10.287 4.971 1.00 0.00 C ATOM 1290 C GLY A 87 -3.568 -9.015 5.565 1.00 0.00 C ATOM 1291 O GLY A 87 -4.009 -8.522 6.585 1.00 0.00 O ATOM 0 H GLY A 87 -3.326 -10.071 3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.202 -10.102 4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.206 -11.074 5.725 1.00 0.00 H new ATOM 1295 N LEU A 88 -2.560 -8.482 4.935 1.00 0.00 N ATOM 1296 CA LEU A 88 -1.920 -7.244 5.460 1.00 0.00 C ATOM 1297 C LEU A 88 -2.839 -6.047 5.217 1.00 0.00 C ATOM 1298 O LEU A 88 -3.652 -6.049 4.313 1.00 0.00 O ATOM 1299 CB LEU A 88 -0.585 -7.016 4.747 1.00 0.00 C ATOM 1300 CG LEU A 88 0.391 -8.152 5.080 1.00 0.00 C ATOM 1301 CD1 LEU A 88 1.664 -7.977 4.247 1.00 0.00 C ATOM 1302 CD2 LEU A 88 0.744 -8.130 6.581 1.00 0.00 C ATOM 0 H LEU A 88 -2.150 -8.851 4.077 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.746 -7.354 6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.743 -6.966 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.160 -6.060 5.052 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.076 -9.109 4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.363 -8.781 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.412 -8.008 3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.124 -7.017 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.437 -8.941 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.209 -7.176 6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.164 -8.257 7.170 1.00 0.00 H new ATOM 1314 N ARG A 89 -2.713 -5.026 6.027 1.00 0.00 N ATOM 1315 CA ARG A 89 -3.570 -3.809 5.875 1.00 0.00 C ATOM 1316 C ARG A 89 -2.689 -2.599 5.561 1.00 0.00 C ATOM 1317 O ARG A 89 -1.767 -2.283 6.286 1.00 0.00 O ATOM 1318 CB ARG A 89 -4.323 -3.561 7.185 1.00 0.00 C ATOM 1319 CG ARG A 89 -5.251 -2.355 7.030 1.00 0.00 C ATOM 1320 CD ARG A 89 -6.055 -2.160 8.317 1.00 0.00 C ATOM 1321 NE ARG A 89 -7.024 -1.041 8.131 1.00 0.00 N ATOM 1322 CZ ARG A 89 -8.212 -1.266 7.633 1.00 0.00 C ATOM 1323 NH1 ARG A 89 -8.561 -2.473 7.277 1.00 0.00 N ATOM 1324 NH2 ARG A 89 -9.051 -0.278 7.485 1.00 0.00 N ATOM 0 H ARG A 89 -2.045 -4.983 6.797 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.280 -3.960 5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.902 -4.444 7.455 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.615 -3.384 7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.668 -1.460 6.814 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.925 -2.508 6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.586 -3.078 8.570 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.385 -1.941 9.148 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.758 -0.092 8.395 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.905 -3.247 7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.489 -2.642 6.889 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.780 0.667 7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -9.978 -0.450 7.097 1.00 0.00 H new ATOM 1338 N LEU A 90 -2.977 -1.920 4.482 1.00 0.00 N ATOM 1339 CA LEU A 90 -2.176 -0.720 4.096 1.00 0.00 C ATOM 1340 C LEU A 90 -2.993 0.535 4.403 1.00 0.00 C ATOM 1341 O LEU A 90 -4.110 0.687 3.950 1.00 0.00 O ATOM 1342 CB LEU A 90 -1.877 -0.780 2.596 1.00 0.00 C ATOM 1343 CG LEU A 90 -1.173 -2.102 2.264 1.00 0.00 C ATOM 1344 CD1 LEU A 90 -0.904 -2.166 0.758 1.00 0.00 C ATOM 1345 CD2 LEU A 90 0.157 -2.199 3.031 1.00 0.00 C ATOM 0 H LEU A 90 -3.741 -2.148 3.845 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.239 -0.697 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.803 -0.696 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.248 0.062 2.306 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.812 -2.934 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.404 -3.104 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.849 -2.109 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.268 -1.330 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.649 -3.141 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.803 -1.368 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.037 -2.156 4.103 1.00 0.00 H new ATOM 1357 N HIS A 91 -2.446 1.432 5.179 1.00 0.00 N ATOM 1358 CA HIS A 91 -3.184 2.681 5.533 1.00 0.00 C ATOM 1359 C HIS A 91 -2.704 3.830 4.646 1.00 0.00 C ATOM 1360 O HIS A 91 -1.520 4.090 4.536 1.00 0.00 O ATOM 1361 CB HIS A 91 -2.921 3.025 6.999 1.00 0.00 C ATOM 1362 CG HIS A 91 -3.735 4.227 7.381 1.00 0.00 C ATOM 1363 ND1 HIS A 91 -5.120 4.220 7.351 1.00 0.00 N ATOM 1364 CD2 HIS A 91 -3.374 5.482 7.804 1.00 0.00 C ATOM 1365 CE1 HIS A 91 -5.540 5.435 7.745 1.00 0.00 C ATOM 1366 NE2 HIS A 91 -4.516 6.244 8.033 1.00 0.00 N ATOM 0 H HIS A 91 -1.514 1.353 5.586 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.252 2.528 5.378 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -3.181 2.179 7.635 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -1.861 3.226 7.153 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.359 5.826 7.939 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -6.578 5.722 7.820 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.562 7.212 8.352 1.00 0.00 H new ATOM 1374 N VAL A 92 -3.617 4.520 4.011 1.00 0.00 N ATOM 1375 CA VAL A 92 -3.231 5.657 3.123 1.00 0.00 C ATOM 1376 C VAL A 92 -3.463 6.975 3.867 1.00 0.00 C ATOM 1377 O VAL A 92 -4.536 7.228 4.386 1.00 0.00 O ATOM 1378 CB VAL A 92 -4.098 5.623 1.862 1.00 0.00 C ATOM 1379 CG1 VAL A 92 -3.875 6.897 1.042 1.00 0.00 C ATOM 1380 CG2 VAL A 92 -3.719 4.403 1.020 1.00 0.00 C ATOM 0 H VAL A 92 -4.620 4.343 4.070 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.180 5.574 2.847 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.148 5.561 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.495 6.866 0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.145 7.767 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.826 6.966 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.335 4.376 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.668 4.468 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.884 3.495 1.600 1.00 0.00 H new ATOM 1390 N VAL A 93 -2.463 7.820 3.914 1.00 0.00 N ATOM 1391 CA VAL A 93 -2.598 9.133 4.613 1.00 0.00 C ATOM 1392 C VAL A 93 -2.512 10.253 3.576 1.00 0.00 C ATOM 1393 O VAL A 93 -1.439 10.637 3.157 1.00 0.00 O ATOM 1394 CB VAL A 93 -1.459 9.275 5.625 1.00 0.00 C ATOM 1395 CG1 VAL A 93 -1.593 10.604 6.372 1.00 0.00 C ATOM 1396 CG2 VAL A 93 -1.530 8.119 6.627 1.00 0.00 C ATOM 0 H VAL A 93 -1.549 7.653 3.493 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.554 9.191 5.133 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.503 9.252 5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.780 10.701 7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.547 11.428 5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.548 10.631 6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.721 8.215 7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.487 8.147 7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.433 7.172 6.097 1.00 0.00 H new ATOM 1406 N ASP A 94 -3.640 10.776 3.153 1.00 0.00 N ATOM 1407 CA ASP A 94 -3.641 11.875 2.134 1.00 0.00 C ATOM 1408 C ASP A 94 -4.066 13.180 2.800 1.00 0.00 C ATOM 1409 O ASP A 94 -4.924 13.201 3.660 1.00 0.00 O ATOM 1410 CB ASP A 94 -4.604 11.527 1.001 1.00 0.00 C ATOM 1411 CG ASP A 94 -6.017 11.349 1.557 1.00 0.00 C ATOM 1412 OD1 ASP A 94 -6.152 11.280 2.768 1.00 0.00 O ATOM 1413 OD2 ASP A 94 -6.938 11.283 0.762 1.00 0.00 O ATOM 0 H ASP A 94 -4.565 10.487 3.472 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.639 11.992 1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.596 12.317 0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.281 10.612 0.505 1.00 0.00 H new ATOM 1418 N SER A 95 -3.458 14.270 2.418 1.00 0.00 N ATOM 1419 CA SER A 95 -3.803 15.575 3.036 1.00 0.00 C ATOM 1420 C SER A 95 -3.465 16.706 2.065 1.00 0.00 C ATOM 1421 O SER A 95 -4.380 17.393 1.646 1.00 0.00 O ATOM 1422 CB SER A 95 -2.988 15.736 4.310 1.00 0.00 C ATOM 1423 OG SER A 95 -3.314 14.676 5.197 1.00 0.00 O ATOM 1424 OXT SER A 95 -2.295 16.862 1.757 1.00 0.00 O ATOM 0 H SER A 95 -2.734 14.309 1.701 1.00 0.00 H new ATOM 0 HA SER A 95 -4.868 15.611 3.266 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.922 15.723 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.202 16.698 4.776 1.00 0.00 H new ATOM 0 HG SER A 95 -4.269 14.713 5.414 1.00 0.00 H new TER 1430 SER A 95