USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 843 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 99 ASN : amide:sc= 0.935 K(o=0.93,f=0) USER MOD Set 1.2: A 102 MET CE :methyl 175:sc= 0 (180deg=-0.0117) USER MOD Set 2.1: A 93 ASN : amide:sc= -0.914 K(o=-1.1,f=-13!) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= -0.228 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= 0.128 F(o=-2,f=1.4) USER MOD Set 3.2: A 28 THR OG1 : rot 139:sc= 1.25 USER MOD Set 3.3: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -32:sc=0.000982 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 141:sc= -0.974 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00475 USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= -1.4 (180deg=-2.1!) USER MOD Single : A 38 HIS :FLIP no HE2:sc= -0.215 F(o=-1.4,f=-0.22) USER MOD Single : A 43 SER OG : rot 180:sc=-0.00457 USER MOD Single : A 44 THR OG1 : rot -45:sc= 0.981 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 51 THR OG1 : rot 35:sc= 0.868 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.144 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -172:sc= 0 (180deg=-0.072) USER MOD Single : A 59 MET CE :methyl 180:sc=-0.00676 (180deg=-0.00676) USER MOD Single : A 65 LYS NZ :NH3+ 136:sc= 0.663 (180deg=0.0246) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0.0768 (180deg=-0.145) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 88 MET CE :methyl 175:sc= -0.0274 (180deg=-0.0903) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -122:sc=-0.00133 (180deg=-1.03) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 80:sc= 0.0606 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 109 SER OG : rot -19:sc= 0.00657 USER MOD Single : A 111 TYR OH : rot -140:sc= 0.272 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 16.126 -2.608 0.024 1.00 25.00 N ATOM 47 CA SER A 4 15.923 -2.368 1.451 1.00 25.00 C ATOM 48 C SER A 4 16.327 -0.954 1.854 1.00 25.00 C ATOM 49 O SER A 4 17.248 -0.366 1.277 1.00 25.00 O ATOM 50 CB SER A 4 16.696 -3.397 2.289 1.00 25.00 C ATOM 51 OG SER A 4 18.099 -3.210 2.180 1.00 25.00 O ATOM 0 HA SER A 4 14.856 -2.477 1.647 1.00 25.00 H new ATOM 0 HB2 SER A 4 16.397 -3.315 3.334 1.00 25.00 H new ATOM 0 HB3 SER A 4 16.436 -4.404 1.961 1.00 25.00 H new ATOM 0 HG SER A 4 18.315 -2.872 1.286 1.00 25.00 H new ATOM 57 N GLY A 5 15.615 -0.425 2.852 1.00 25.00 N ATOM 58 CA GLY A 5 15.899 0.898 3.378 1.00 25.00 C ATOM 59 C GLY A 5 15.445 1.039 4.817 1.00 25.00 C ATOM 60 O GLY A 5 16.011 0.408 5.713 1.00 25.00 O ATOM 0 H GLY A 5 14.836 -0.900 3.309 1.00 25.00 H new ATOM 0 HA2 GLY A 5 16.969 1.093 3.313 1.00 25.00 H new ATOM 0 HA3 GLY A 5 15.401 1.648 2.764 1.00 25.00 H new ATOM 64 N ALA A 6 14.425 1.879 5.035 1.00 25.00 N ATOM 65 CA ALA A 6 13.816 2.058 6.358 1.00 25.00 C ATOM 66 C ALA A 6 12.351 2.478 6.221 1.00 25.00 C ATOM 67 O ALA A 6 12.041 3.437 5.506 1.00 25.00 O ATOM 68 CB ALA A 6 14.584 3.087 7.175 1.00 25.00 C ATOM 0 H ALA A 6 14.001 2.450 4.304 1.00 25.00 H new ATOM 0 HA ALA A 6 13.860 1.103 6.882 1.00 25.00 H new ATOM 0 HB1 ALA A 6 14.113 3.202 8.151 1.00 25.00 H new ATOM 0 HB2 ALA A 6 15.613 2.753 7.306 1.00 25.00 H new ATOM 0 HB3 ALA A 6 14.577 4.044 6.654 1.00 25.00 H new ATOM 74 N ALA A 7 11.451 1.753 6.906 1.00 25.00 N ATOM 75 CA ALA A 7 10.007 2.019 6.820 1.00 25.00 C ATOM 76 C ALA A 7 9.288 1.748 8.147 1.00 25.00 C ATOM 77 O ALA A 7 9.720 0.903 8.936 1.00 25.00 O ATOM 78 CB ALA A 7 9.385 1.180 5.710 1.00 25.00 C ATOM 0 H ALA A 7 11.698 0.980 7.524 1.00 25.00 H new ATOM 0 HA ALA A 7 9.885 3.078 6.592 1.00 25.00 H new ATOM 0 HB1 ALA A 7 8.316 1.385 5.655 1.00 25.00 H new ATOM 0 HB2 ALA A 7 9.852 1.432 4.758 1.00 25.00 H new ATOM 0 HB3 ALA A 7 9.542 0.122 5.922 1.00 25.00 H new ATOM 84 N ILE A 8 8.185 2.478 8.377 1.00 25.00 N ATOM 85 CA ILE A 8 7.328 2.285 9.559 1.00 25.00 C ATOM 86 C ILE A 8 5.987 1.668 9.126 1.00 25.00 C ATOM 87 O ILE A 8 5.439 2.022 8.078 1.00 25.00 O ATOM 88 CB ILE A 8 7.084 3.631 10.329 1.00 25.00 C ATOM 89 CG1 ILE A 8 8.418 4.206 10.848 1.00 25.00 C ATOM 90 CG2 ILE A 8 6.091 3.449 11.495 1.00 25.00 C ATOM 91 CD1 ILE A 8 8.347 5.635 11.355 1.00 25.00 C ATOM 0 H ILE A 8 7.862 3.216 7.752 1.00 25.00 H new ATOM 0 HA ILE A 8 7.841 1.608 10.243 1.00 25.00 H new ATOM 0 HB ILE A 8 6.643 4.336 9.624 1.00 25.00 H new ATOM 0 HG12 ILE A 8 8.782 3.568 11.654 1.00 25.00 H new ATOM 0 HG13 ILE A 8 9.154 4.157 10.045 1.00 25.00 H new ATOM 0 HG21 ILE A 8 5.948 4.403 12.003 1.00 25.00 H new ATOM 0 HG22 ILE A 8 5.135 3.098 11.107 1.00 25.00 H new ATOM 0 HG23 ILE A 8 6.487 2.718 12.200 1.00 25.00 H new ATOM 0 HD11 ILE A 8 9.333 5.949 11.698 1.00 25.00 H new ATOM 0 HD12 ILE A 8 8.017 6.291 10.549 1.00 25.00 H new ATOM 0 HD13 ILE A 8 7.640 5.693 12.182 1.00 25.00 H new ATOM 103 N PHE A 9 5.475 0.742 9.947 1.00 25.00 N ATOM 104 CA PHE A 9 4.218 0.040 9.672 1.00 25.00 C ATOM 105 C PHE A 9 3.533 -0.299 10.990 1.00 25.00 C ATOM 106 O PHE A 9 4.054 -1.081 11.785 1.00 25.00 O ATOM 107 CB PHE A 9 4.479 -1.236 8.842 1.00 25.00 C ATOM 108 CG PHE A 9 3.245 -1.897 8.274 1.00 25.00 C ATOM 109 CD1 PHE A 9 2.699 -1.465 7.074 1.00 25.00 C ATOM 110 CD2 PHE A 9 2.633 -2.947 8.944 1.00 25.00 C ATOM 111 CE1 PHE A 9 1.568 -2.066 6.556 1.00 25.00 C ATOM 112 CE2 PHE A 9 1.504 -3.552 8.429 1.00 25.00 C ATOM 113 CZ PHE A 9 0.978 -3.119 7.226 1.00 25.00 C ATOM 0 H PHE A 9 5.921 0.460 10.820 1.00 25.00 H new ATOM 0 HA PHE A 9 3.563 0.686 9.087 1.00 25.00 H new ATOM 0 HB2 PHE A 9 5.148 -0.984 8.019 1.00 25.00 H new ATOM 0 HB3 PHE A 9 5.002 -1.958 9.469 1.00 25.00 H new ATOM 0 HD1 PHE A 9 3.163 -0.650 6.539 1.00 25.00 H new ATOM 0 HD2 PHE A 9 3.045 -3.295 9.880 1.00 25.00 H new ATOM 0 HE1 PHE A 9 1.146 -1.712 5.627 1.00 25.00 H new ATOM 0 HE2 PHE A 9 1.032 -4.362 8.965 1.00 25.00 H new ATOM 0 HZ PHE A 9 0.107 -3.604 6.811 1.00 25.00 H new ATOM 123 N GLU A 10 2.351 0.305 11.207 1.00 25.00 N ATOM 124 CA GLU A 10 1.571 0.156 12.462 1.00 25.00 C ATOM 125 C GLU A 10 2.353 0.688 13.674 1.00 25.00 C ATOM 126 O GLU A 10 2.547 -0.009 14.678 1.00 25.00 O ATOM 127 CB GLU A 10 1.132 -1.305 12.686 1.00 25.00 C ATOM 128 CG GLU A 10 0.214 -1.846 11.600 1.00 25.00 C ATOM 129 CD GLU A 10 -0.239 -3.268 11.869 1.00 25.00 C ATOM 130 OE1 GLU A 10 0.145 -3.827 12.919 1.00 25.00 O ATOM 131 OE2 GLU A 10 -0.978 -3.825 11.030 1.00 25.00 O ATOM 0 H GLU A 10 1.904 0.912 10.520 1.00 25.00 H new ATOM 0 HA GLU A 10 0.669 0.759 12.355 1.00 25.00 H new ATOM 0 HB2 GLU A 10 2.019 -1.936 12.746 1.00 25.00 H new ATOM 0 HB3 GLU A 10 0.624 -1.378 13.647 1.00 25.00 H new ATOM 0 HG2 GLU A 10 -0.660 -1.201 11.515 1.00 25.00 H new ATOM 0 HG3 GLU A 10 0.732 -1.809 10.641 1.00 25.00 H new ATOM 138 N LYS A 11 2.822 1.946 13.528 1.00 25.00 N ATOM 139 CA LYS A 11 3.491 2.758 14.598 1.00 25.00 C ATOM 140 C LYS A 11 4.720 2.075 15.238 1.00 25.00 C ATOM 141 O LYS A 11 5.328 2.615 16.170 1.00 25.00 O ATOM 142 CB LYS A 11 2.493 3.269 15.674 1.00 25.00 C ATOM 143 CG LYS A 11 1.860 2.171 16.505 1.00 25.00 C ATOM 144 CD LYS A 11 0.877 2.703 17.543 1.00 25.00 C ATOM 145 CE LYS A 11 0.299 1.593 18.407 1.00 25.00 C ATOM 146 NZ LYS A 11 -0.571 2.124 19.492 1.00 25.00 N ATOM 0 H LYS A 11 2.750 2.449 12.644 1.00 25.00 H new ATOM 0 HA LYS A 11 3.881 3.630 14.073 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.014 3.958 16.339 1.00 25.00 H new ATOM 0 HB3 LYS A 11 1.704 3.837 15.181 1.00 25.00 H new ATOM 0 HG2 LYS A 11 1.342 1.475 15.845 1.00 25.00 H new ATOM 0 HG3 LYS A 11 2.644 1.607 17.010 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.381 3.431 18.179 1.00 25.00 H new ATOM 0 HD3 LYS A 11 0.066 3.228 17.038 1.00 25.00 H new ATOM 0 HE2 LYS A 11 -0.277 0.910 17.782 1.00 25.00 H new ATOM 0 HE3 LYS A 11 1.112 1.014 18.845 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -0.944 1.334 20.056 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 -0.016 2.755 20.104 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 -1.362 2.654 19.074 1.00 25.00 H new ATOM 160 N VAL A 12 5.073 0.900 14.720 1.00 25.00 N ATOM 161 CA VAL A 12 6.317 0.215 15.068 1.00 25.00 C ATOM 162 C VAL A 12 7.330 0.436 13.934 1.00 25.00 C ATOM 163 O VAL A 12 7.111 -0.006 12.804 1.00 25.00 O ATOM 164 CB VAL A 12 6.070 -1.314 15.366 1.00 25.00 C ATOM 165 CG1 VAL A 12 7.360 -2.048 15.691 1.00 25.00 C ATOM 166 CG2 VAL A 12 5.044 -1.544 16.478 1.00 25.00 C ATOM 0 H VAL A 12 4.501 0.394 14.044 1.00 25.00 H new ATOM 0 HA VAL A 12 6.724 0.633 15.989 1.00 25.00 H new ATOM 0 HB VAL A 12 5.659 -1.726 14.444 1.00 25.00 H new ATOM 0 HG11 VAL A 12 7.142 -3.097 15.889 1.00 25.00 H new ATOM 0 HG12 VAL A 12 8.044 -1.973 14.846 1.00 25.00 H new ATOM 0 HG13 VAL A 12 7.821 -1.601 16.572 1.00 25.00 H new ATOM 0 HG21 VAL A 12 4.915 -2.614 16.639 1.00 25.00 H new ATOM 0 HG22 VAL A 12 5.395 -1.078 17.399 1.00 25.00 H new ATOM 0 HG23 VAL A 12 4.090 -1.103 16.189 1.00 25.00 H new ATOM 176 N SER A 13 8.421 1.146 14.245 1.00 25.00 N ATOM 177 CA SER A 13 9.428 1.491 13.240 1.00 25.00 C ATOM 178 C SER A 13 10.325 0.301 12.924 1.00 25.00 C ATOM 179 O SER A 13 10.727 -0.444 13.824 1.00 25.00 O ATOM 180 CB SER A 13 10.264 2.696 13.689 1.00 25.00 C ATOM 181 OG SER A 13 11.356 2.930 12.814 1.00 25.00 O ATOM 0 H SER A 13 8.627 1.491 15.183 1.00 25.00 H new ATOM 0 HA SER A 13 8.900 1.765 12.326 1.00 25.00 H new ATOM 0 HB2 SER A 13 9.632 3.583 13.728 1.00 25.00 H new ATOM 0 HB3 SER A 13 10.637 2.525 14.699 1.00 25.00 H new ATOM 0 HG SER A 13 11.867 3.705 13.128 1.00 25.00 H new ATOM 187 N GLY A 14 10.615 0.134 11.636 1.00 25.00 N ATOM 188 CA GLY A 14 11.397 -1.000 11.186 1.00 25.00 C ATOM 189 C GLY A 14 12.145 -0.733 9.901 1.00 25.00 C ATOM 190 O GLY A 14 12.359 0.422 9.516 1.00 25.00 O ATOM 0 H GLY A 14 10.319 0.769 10.894 1.00 25.00 H new ATOM 0 HA2 GLY A 14 12.110 -1.274 11.964 1.00 25.00 H new ATOM 0 HA3 GLY A 14 10.737 -1.855 11.044 1.00 25.00 H new ATOM 194 N ILE A 15 12.543 -1.820 9.247 1.00 25.00 N ATOM 195 CA ILE A 15 13.275 -1.764 7.985 1.00 25.00 C ATOM 196 C ILE A 15 12.516 -2.566 6.915 1.00 25.00 C ATOM 197 O ILE A 15 11.984 -3.644 7.198 1.00 25.00 O ATOM 198 CB ILE A 15 14.739 -2.306 8.177 1.00 25.00 C ATOM 199 CG1 ILE A 15 15.580 -1.399 9.123 1.00 25.00 C ATOM 200 CG2 ILE A 15 15.475 -2.529 6.848 1.00 25.00 C ATOM 201 CD1 ILE A 15 16.910 -1.968 9.621 1.00 25.00 C ATOM 0 H ILE A 15 12.366 -2.768 9.578 1.00 25.00 H new ATOM 0 HA ILE A 15 13.349 -0.729 7.652 1.00 25.00 H new ATOM 0 HB ILE A 15 14.628 -3.281 8.651 1.00 25.00 H new ATOM 0 HG12 ILE A 15 15.784 -0.463 8.603 1.00 25.00 H new ATOM 0 HG13 ILE A 15 14.968 -1.155 9.992 1.00 25.00 H new ATOM 0 HG21 ILE A 15 16.479 -2.903 7.047 1.00 25.00 H new ATOM 0 HG22 ILE A 15 14.929 -3.256 6.247 1.00 25.00 H new ATOM 0 HG23 ILE A 15 15.540 -1.586 6.305 1.00 25.00 H new ATOM 0 HD11 ILE A 15 17.397 -1.240 10.270 1.00 25.00 H new ATOM 0 HD12 ILE A 15 16.727 -2.886 10.179 1.00 25.00 H new ATOM 0 HD13 ILE A 15 17.555 -2.184 8.769 1.00 25.00 H new ATOM 213 N ILE A 16 12.479 -2.026 5.690 1.00 25.00 N ATOM 214 CA ILE A 16 11.775 -2.665 4.578 1.00 25.00 C ATOM 215 C ILE A 16 12.772 -3.397 3.661 1.00 25.00 C ATOM 216 O ILE A 16 13.849 -2.876 3.375 1.00 25.00 O ATOM 217 CB ILE A 16 10.891 -1.608 3.814 1.00 25.00 C ATOM 218 CG1 ILE A 16 9.699 -2.329 3.139 1.00 25.00 C ATOM 219 CG2 ILE A 16 11.680 -0.746 2.801 1.00 25.00 C ATOM 220 CD1 ILE A 16 8.572 -1.416 2.672 1.00 25.00 C ATOM 0 H ILE A 16 12.931 -1.145 5.447 1.00 25.00 H new ATOM 0 HA ILE A 16 11.094 -3.424 4.963 1.00 25.00 H new ATOM 0 HB ILE A 16 10.522 -0.899 4.556 1.00 25.00 H new ATOM 0 HG12 ILE A 16 10.072 -2.889 2.281 1.00 25.00 H new ATOM 0 HG13 ILE A 16 9.290 -3.056 3.840 1.00 25.00 H new ATOM 0 HG21 ILE A 16 11.003 -0.043 2.316 1.00 25.00 H new ATOM 0 HG22 ILE A 16 12.462 -0.195 3.324 1.00 25.00 H new ATOM 0 HG23 ILE A 16 12.132 -1.392 2.048 1.00 25.00 H new ATOM 0 HD11 ILE A 16 7.785 -2.015 2.213 1.00 25.00 H new ATOM 0 HD12 ILE A 16 8.165 -0.875 3.526 1.00 25.00 H new ATOM 0 HD13 ILE A 16 8.959 -0.705 1.942 1.00 25.00 H new ATOM 232 N ALA A 17 12.406 -4.611 3.236 1.00 25.00 N ATOM 233 CA ALA A 17 13.242 -5.414 2.335 1.00 25.00 C ATOM 234 C ALA A 17 12.402 -6.079 1.245 1.00 25.00 C ATOM 235 O ALA A 17 11.255 -6.455 1.489 1.00 25.00 O ATOM 236 CB ALA A 17 14.016 -6.466 3.125 1.00 25.00 C ATOM 0 H ALA A 17 11.531 -5.062 3.503 1.00 25.00 H new ATOM 0 HA ALA A 17 13.952 -4.744 1.850 1.00 25.00 H new ATOM 0 HB1 ALA A 17 14.631 -7.053 2.443 1.00 25.00 H new ATOM 0 HB2 ALA A 17 14.655 -5.973 3.858 1.00 25.00 H new ATOM 0 HB3 ALA A 17 13.315 -7.124 3.639 1.00 25.00 H new ATOM 242 N ILE A 18 12.977 -6.218 0.042 1.00 25.00 N ATOM 243 CA ILE A 18 12.290 -6.877 -1.078 1.00 25.00 C ATOM 244 C ILE A 18 12.849 -8.294 -1.286 1.00 25.00 C ATOM 245 O ILE A 18 14.065 -8.502 -1.331 1.00 25.00 O ATOM 246 CB ILE A 18 12.389 -6.055 -2.404 1.00 25.00 C ATOM 247 CG1 ILE A 18 11.626 -4.724 -2.256 1.00 25.00 C ATOM 248 CG2 ILE A 18 11.857 -6.857 -3.598 1.00 25.00 C ATOM 249 CD1 ILE A 18 11.878 -3.710 -3.354 1.00 25.00 C ATOM 0 H ILE A 18 13.915 -5.883 -0.180 1.00 25.00 H new ATOM 0 HA ILE A 18 11.234 -6.939 -0.816 1.00 25.00 H new ATOM 0 HB ILE A 18 13.440 -5.840 -2.596 1.00 25.00 H new ATOM 0 HG12 ILE A 18 10.558 -4.938 -2.219 1.00 25.00 H new ATOM 0 HG13 ILE A 18 11.894 -4.274 -1.300 1.00 25.00 H new ATOM 0 HG21 ILE A 18 11.940 -6.258 -4.505 1.00 25.00 H new ATOM 0 HG22 ILE A 18 12.441 -7.770 -3.712 1.00 25.00 H new ATOM 0 HG23 ILE A 18 10.812 -7.114 -3.427 1.00 25.00 H new ATOM 0 HD11 ILE A 18 11.296 -2.809 -3.158 1.00 25.00 H new ATOM 0 HD12 ILE A 18 12.938 -3.458 -3.380 1.00 25.00 H new ATOM 0 HD13 ILE A 18 11.581 -4.132 -4.314 1.00 25.00 H new ATOM 261 N ASN A 19 11.924 -9.244 -1.408 1.00 25.00 N ATOM 262 CA ASN A 19 12.241 -10.652 -1.635 1.00 25.00 C ATOM 263 C ASN A 19 12.064 -11.030 -3.115 1.00 25.00 C ATOM 264 O ASN A 19 10.939 -11.142 -3.612 1.00 25.00 O ATOM 265 CB ASN A 19 11.332 -11.523 -0.749 1.00 25.00 C ATOM 266 CG ASN A 19 11.634 -11.397 0.737 1.00 25.00 C ATOM 267 OD1 ASN A 19 10.697 -11.845 1.566 1.00 25.00 O flip ATOM 268 ND2 ASN A 19 12.686 -10.895 1.138 1.00 25.00 N flip ATOM 0 H ASN A 19 10.923 -9.056 -1.351 1.00 25.00 H new ATOM 0 HA ASN A 19 13.285 -10.824 -1.373 1.00 25.00 H new ATOM 0 HB2 ASN A 19 10.293 -11.246 -0.925 1.00 25.00 H new ATOM 0 HB3 ASN A 19 11.439 -12.566 -1.047 1.00 25.00 H new ATOM 0 HD21 ASN A 19 13.380 -10.563 0.469 1.00 25.00 H new ATOM 0 HD22 ASN A 19 12.862 -10.812 2.139 1.00 25.00 H new ATOM 275 N GLU A 20 13.194 -11.206 -3.809 1.00 25.00 N ATOM 276 CA GLU A 20 13.214 -11.692 -5.195 1.00 25.00 C ATOM 277 C GLU A 20 14.052 -12.975 -5.263 1.00 25.00 C ATOM 278 O GLU A 20 14.751 -13.305 -4.299 1.00 25.00 O ATOM 279 CB GLU A 20 13.771 -10.626 -6.162 1.00 25.00 C ATOM 280 CG GLU A 20 12.988 -9.317 -6.204 1.00 25.00 C ATOM 281 CD GLU A 20 13.364 -8.452 -7.391 1.00 25.00 C ATOM 282 OE1 GLU A 20 13.210 -8.919 -8.539 1.00 25.00 O ATOM 283 OE2 GLU A 20 13.809 -7.307 -7.175 1.00 25.00 O ATOM 0 H GLU A 20 14.120 -11.016 -3.427 1.00 25.00 H new ATOM 0 HA GLU A 20 12.191 -11.904 -5.507 1.00 25.00 H new ATOM 0 HB2 GLU A 20 14.801 -10.406 -5.881 1.00 25.00 H new ATOM 0 HB3 GLU A 20 13.797 -11.048 -7.167 1.00 25.00 H new ATOM 0 HG2 GLU A 20 11.921 -9.537 -6.243 1.00 25.00 H new ATOM 0 HG3 GLU A 20 13.166 -8.762 -5.283 1.00 25.00 H new ATOM 290 N ASP A 21 13.976 -13.706 -6.405 1.00 25.00 N ATOM 291 CA ASP A 21 14.610 -15.050 -6.579 1.00 25.00 C ATOM 292 C ASP A 21 13.849 -16.119 -5.768 1.00 25.00 C ATOM 293 O ASP A 21 14.223 -17.297 -5.743 1.00 25.00 O ATOM 294 CB ASP A 21 16.103 -15.042 -6.183 1.00 25.00 C ATOM 295 CG ASP A 21 16.953 -14.159 -7.082 1.00 25.00 C ATOM 296 OD1 ASP A 21 16.921 -14.362 -8.314 1.00 25.00 O ATOM 297 OD2 ASP A 21 17.648 -13.267 -6.554 1.00 25.00 O ATOM 0 H ASP A 21 13.475 -13.385 -7.234 1.00 25.00 H new ATOM 0 HA ASP A 21 14.552 -15.298 -7.639 1.00 25.00 H new ATOM 0 HB2 ASP A 21 16.198 -14.699 -5.153 1.00 25.00 H new ATOM 0 HB3 ASP A 21 16.487 -16.061 -6.217 1.00 25.00 H new ATOM 302 N VAL A 22 12.770 -15.670 -5.132 1.00 25.00 N ATOM 303 CA VAL A 22 11.900 -16.496 -4.298 1.00 25.00 C ATOM 304 C VAL A 22 10.607 -16.844 -5.055 1.00 25.00 C ATOM 305 O VAL A 22 10.491 -16.560 -6.251 1.00 25.00 O ATOM 306 CB VAL A 22 11.583 -15.792 -2.933 1.00 25.00 C ATOM 307 CG1 VAL A 22 12.866 -15.606 -2.131 1.00 25.00 C ATOM 308 CG2 VAL A 22 10.866 -14.439 -3.110 1.00 25.00 C ATOM 0 H VAL A 22 12.469 -14.697 -5.183 1.00 25.00 H new ATOM 0 HA VAL A 22 12.426 -17.423 -4.071 1.00 25.00 H new ATOM 0 HB VAL A 22 10.899 -16.444 -2.390 1.00 25.00 H new ATOM 0 HG11 VAL A 22 12.636 -15.116 -1.185 1.00 25.00 H new ATOM 0 HG12 VAL A 22 13.317 -16.579 -1.936 1.00 25.00 H new ATOM 0 HG13 VAL A 22 13.564 -14.990 -2.698 1.00 25.00 H new ATOM 0 HG21 VAL A 22 10.673 -13.999 -2.132 1.00 25.00 H new ATOM 0 HG22 VAL A 22 11.496 -13.767 -3.692 1.00 25.00 H new ATOM 0 HG23 VAL A 22 9.921 -14.593 -3.632 1.00 25.00 H new ATOM 318 N SER A 23 9.644 -17.463 -4.354 1.00 25.00 N ATOM 319 CA SER A 23 8.305 -17.686 -4.917 1.00 25.00 C ATOM 320 C SER A 23 7.627 -16.304 -4.913 1.00 25.00 C ATOM 321 O SER A 23 8.060 -15.456 -4.126 1.00 25.00 O ATOM 322 CB SER A 23 7.550 -18.699 -4.049 1.00 25.00 C ATOM 323 OG SER A 23 7.209 -18.159 -2.785 1.00 25.00 O ATOM 0 H SER A 23 9.767 -17.815 -3.405 1.00 25.00 H new ATOM 0 HA SER A 23 8.328 -18.098 -5.926 1.00 25.00 H new ATOM 0 HB2 SER A 23 6.644 -19.016 -4.565 1.00 25.00 H new ATOM 0 HB3 SER A 23 8.165 -19.588 -3.910 1.00 25.00 H new ATOM 0 HG SER A 23 6.728 -18.833 -2.261 1.00 25.00 H new ATOM 329 N PRO A 24 6.549 -16.015 -5.714 1.00 25.00 N ATOM 330 CA PRO A 24 6.439 -14.701 -6.397 1.00 25.00 C ATOM 331 C PRO A 24 6.865 -13.518 -5.526 1.00 25.00 C ATOM 332 O PRO A 24 6.424 -13.371 -4.382 1.00 25.00 O ATOM 333 CB PRO A 24 4.944 -14.615 -6.706 1.00 25.00 C ATOM 334 CG PRO A 24 4.521 -16.029 -6.894 1.00 25.00 C ATOM 335 CD PRO A 24 5.348 -16.851 -5.957 1.00 25.00 C ATOM 0 HA PRO A 24 7.095 -14.643 -7.265 1.00 25.00 H new ATOM 0 HB2 PRO A 24 4.397 -14.142 -5.891 1.00 25.00 H new ATOM 0 HB3 PRO A 24 4.757 -14.022 -7.601 1.00 25.00 H new ATOM 0 HG2 PRO A 24 3.459 -16.147 -6.679 1.00 25.00 H new ATOM 0 HG3 PRO A 24 4.675 -16.345 -7.926 1.00 25.00 H new ATOM 0 HD2 PRO A 24 4.813 -17.060 -5.031 1.00 25.00 H new ATOM 0 HD3 PRO A 24 5.613 -17.813 -6.397 1.00 25.00 H new ATOM 343 N ALA A 25 7.747 -12.685 -6.119 1.00 25.00 N ATOM 344 CA ALA A 25 8.501 -11.645 -5.407 1.00 25.00 C ATOM 345 C ALA A 25 7.636 -10.786 -4.517 1.00 25.00 C ATOM 346 O ALA A 25 6.526 -10.391 -4.881 1.00 25.00 O ATOM 347 CB ALA A 25 9.287 -10.785 -6.383 1.00 25.00 C ATOM 0 H ALA A 25 7.954 -12.721 -7.117 1.00 25.00 H new ATOM 0 HA ALA A 25 9.197 -12.167 -4.750 1.00 25.00 H new ATOM 0 HB1 ALA A 25 9.838 -10.022 -5.833 1.00 25.00 H new ATOM 0 HB2 ALA A 25 9.988 -11.410 -6.936 1.00 25.00 H new ATOM 0 HB3 ALA A 25 8.600 -10.305 -7.080 1.00 25.00 H new ATOM 353 N GLU A 26 8.182 -10.527 -3.338 1.00 25.00 N ATOM 354 CA GLU A 26 7.437 -9.944 -2.246 1.00 25.00 C ATOM 355 C GLU A 26 8.110 -8.663 -1.737 1.00 25.00 C ATOM 356 O GLU A 26 9.174 -8.276 -2.212 1.00 25.00 O ATOM 357 CB GLU A 26 7.277 -10.965 -1.093 1.00 25.00 C ATOM 358 CG GLU A 26 7.109 -12.432 -1.512 1.00 25.00 C ATOM 359 CD GLU A 26 7.133 -13.385 -0.333 1.00 25.00 C ATOM 360 OE1 GLU A 26 7.958 -13.177 0.581 1.00 25.00 O ATOM 361 OE2 GLU A 26 6.329 -14.342 -0.325 1.00 25.00 O ATOM 0 H GLU A 26 9.159 -10.718 -3.117 1.00 25.00 H new ATOM 0 HA GLU A 26 6.448 -9.679 -2.619 1.00 25.00 H new ATOM 0 HB2 GLU A 26 8.150 -10.891 -0.445 1.00 25.00 H new ATOM 0 HB3 GLU A 26 6.411 -10.677 -0.496 1.00 25.00 H new ATOM 0 HG2 GLU A 26 6.166 -12.547 -2.047 1.00 25.00 H new ATOM 0 HG3 GLU A 26 7.905 -12.700 -2.207 1.00 25.00 H new ATOM 368 N LEU A 27 7.408 -7.968 -0.842 1.00 25.00 N ATOM 369 CA LEU A 27 7.932 -6.813 -0.122 1.00 25.00 C ATOM 370 C LEU A 27 7.747 -7.071 1.371 1.00 25.00 C ATOM 371 O LEU A 27 6.623 -7.079 1.878 1.00 25.00 O ATOM 372 CB LEU A 27 7.217 -5.531 -0.626 1.00 25.00 C ATOM 373 CG LEU A 27 7.427 -4.173 0.105 1.00 25.00 C ATOM 374 CD1 LEU A 27 8.833 -3.618 -0.052 1.00 25.00 C ATOM 375 CD2 LEU A 27 6.397 -3.127 -0.306 1.00 25.00 C ATOM 0 H LEU A 27 6.445 -8.197 -0.595 1.00 25.00 H new ATOM 0 HA LEU A 27 8.996 -6.660 -0.303 1.00 25.00 H new ATOM 0 HB2 LEU A 27 7.510 -5.386 -1.666 1.00 25.00 H new ATOM 0 HB3 LEU A 27 6.147 -5.737 -0.623 1.00 25.00 H new ATOM 0 HG LEU A 27 7.283 -4.397 1.162 1.00 25.00 H new ATOM 0 HD11 LEU A 27 8.912 -2.671 0.481 1.00 25.00 H new ATOM 0 HD12 LEU A 27 9.552 -4.327 0.359 1.00 25.00 H new ATOM 0 HD13 LEU A 27 9.045 -3.458 -1.109 1.00 25.00 H new ATOM 0 HD21 LEU A 27 6.587 -2.198 0.232 1.00 25.00 H new ATOM 0 HD22 LEU A 27 6.470 -2.947 -1.379 1.00 25.00 H new ATOM 0 HD23 LEU A 27 5.397 -3.487 -0.066 1.00 25.00 H new ATOM 387 N THR A 28 8.863 -7.292 2.060 1.00 25.00 N ATOM 388 CA THR A 28 8.835 -7.745 3.445 1.00 25.00 C ATOM 389 C THR A 28 9.307 -6.645 4.395 1.00 25.00 C ATOM 390 O THR A 28 10.487 -6.281 4.408 1.00 25.00 O ATOM 391 CB THR A 28 9.703 -9.020 3.630 1.00 25.00 C ATOM 392 OG1 THR A 28 9.196 -10.079 2.806 1.00 25.00 O ATOM 393 CG2 THR A 28 9.712 -9.496 5.083 1.00 25.00 C ATOM 0 H THR A 28 9.800 -7.164 1.679 1.00 25.00 H new ATOM 0 HA THR A 28 7.801 -7.990 3.689 1.00 25.00 H new ATOM 0 HB THR A 28 10.722 -8.763 3.341 1.00 25.00 H new ATOM 0 HG1 THR A 28 9.944 -10.565 2.401 1.00 25.00 H new ATOM 0 HG21 THR A 28 10.330 -10.390 5.169 1.00 25.00 H new ATOM 0 HG22 THR A 28 10.118 -8.711 5.721 1.00 25.00 H new ATOM 0 HG23 THR A 28 8.694 -9.727 5.396 1.00 25.00 H new ATOM 401 N TRP A 29 8.361 -6.117 5.179 1.00 25.00 N ATOM 402 CA TRP A 29 8.682 -5.204 6.270 1.00 25.00 C ATOM 403 C TRP A 29 9.026 -6.006 7.524 1.00 25.00 C ATOM 404 O TRP A 29 8.329 -6.960 7.877 1.00 25.00 O ATOM 405 CB TRP A 29 7.508 -4.234 6.552 1.00 25.00 C ATOM 406 CG TRP A 29 7.727 -3.340 7.756 1.00 25.00 C ATOM 407 CD1 TRP A 29 8.329 -2.116 7.769 1.00 25.00 C ATOM 408 CD2 TRP A 29 7.367 -3.621 9.124 1.00 25.00 C ATOM 409 NE1 TRP A 29 8.374 -1.621 9.052 1.00 25.00 N ATOM 410 CE2 TRP A 29 7.787 -2.525 9.898 1.00 25.00 C ATOM 411 CE3 TRP A 29 6.732 -4.693 9.767 1.00 25.00 C ATOM 412 CZ2 TRP A 29 7.598 -2.470 11.277 1.00 25.00 C ATOM 413 CZ3 TRP A 29 6.544 -4.634 11.136 1.00 25.00 C ATOM 414 CH2 TRP A 29 6.976 -3.530 11.876 1.00 25.00 C ATOM 0 H TRP A 29 7.365 -6.310 5.074 1.00 25.00 H new ATOM 0 HA TRP A 29 9.544 -4.604 5.978 1.00 25.00 H new ATOM 0 HB2 TRP A 29 7.346 -3.610 5.673 1.00 25.00 H new ATOM 0 HB3 TRP A 29 6.598 -4.815 6.703 1.00 25.00 H new ATOM 0 HD1 TRP A 29 8.715 -1.608 6.897 1.00 25.00 H new ATOM 0 HE1 TRP A 29 8.779 -0.726 9.328 1.00 25.00 H new ATOM 0 HE3 TRP A 29 6.395 -5.550 9.203 1.00 25.00 H new ATOM 0 HZ2 TRP A 29 7.931 -1.619 11.853 1.00 25.00 H new ATOM 0 HZ3 TRP A 29 6.056 -5.454 11.641 1.00 25.00 H new ATOM 0 HH2 TRP A 29 6.815 -3.514 12.944 1.00 25.00 H new ATOM 425 N ARG A 30 10.111 -5.608 8.179 1.00 25.00 N ATOM 426 CA ARG A 30 10.501 -6.188 9.458 1.00 25.00 C ATOM 427 C ARG A 30 10.736 -5.082 10.474 1.00 25.00 C ATOM 428 O ARG A 30 11.004 -3.937 10.099 1.00 25.00 O ATOM 429 CB ARG A 30 11.761 -7.047 9.313 1.00 25.00 C ATOM 430 CG ARG A 30 11.571 -8.275 8.443 1.00 25.00 C ATOM 431 CD ARG A 30 12.772 -9.189 8.503 1.00 25.00 C ATOM 432 NE ARG A 30 12.928 -9.809 9.825 1.00 25.00 N ATOM 433 CZ ARG A 30 14.015 -10.477 10.235 1.00 25.00 C ATOM 434 NH1 ARG A 30 15.079 -10.620 9.445 1.00 25.00 N ATOM 435 NH2 ARG A 30 14.038 -11.006 11.451 1.00 25.00 N ATOM 0 H ARG A 30 10.740 -4.880 7.841 1.00 25.00 H new ATOM 0 HA ARG A 30 9.692 -6.832 9.804 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.559 -6.436 8.892 1.00 25.00 H new ATOM 0 HB3 ARG A 30 12.090 -7.363 10.303 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.683 -8.818 8.767 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.398 -7.968 7.412 1.00 25.00 H new ATOM 0 HD2 ARG A 30 12.672 -9.968 7.747 1.00 25.00 H new ATOM 0 HD3 ARG A 30 13.671 -8.622 8.260 1.00 25.00 H new ATOM 0 HE ARG A 30 12.151 -9.725 10.480 1.00 25.00 H new ATOM 0 HH11 ARG A 30 15.076 -10.217 8.508 1.00 25.00 H new ATOM 0 HH12 ARG A 30 15.896 -11.132 9.777 1.00 25.00 H new ATOM 0 HH21 ARG A 30 13.232 -10.903 12.067 1.00 25.00 H new ATOM 0 HH22 ARG A 30 14.862 -11.516 11.770 1.00 25.00 H new ATOM 449 N SER A 31 10.628 -5.425 11.763 1.00 25.00 N ATOM 450 CA SER A 31 10.867 -4.467 12.846 1.00 25.00 C ATOM 451 C SER A 31 12.360 -4.081 12.886 1.00 25.00 C ATOM 452 O SER A 31 13.171 -4.730 12.217 1.00 25.00 O ATOM 453 CB SER A 31 10.384 -5.066 14.185 1.00 25.00 C ATOM 454 OG SER A 31 11.197 -6.140 14.630 1.00 25.00 O ATOM 0 H SER A 31 10.376 -6.361 12.081 1.00 25.00 H new ATOM 0 HA SER A 31 10.299 -3.554 12.668 1.00 25.00 H new ATOM 0 HB2 SER A 31 10.374 -4.285 14.945 1.00 25.00 H new ATOM 0 HB3 SER A 31 9.358 -5.415 14.073 1.00 25.00 H new ATOM 0 HG SER A 31 11.307 -6.086 15.602 1.00 25.00 H new ATOM 460 N THR A 32 12.731 -3.042 13.650 1.00 25.00 N ATOM 461 CA THR A 32 14.143 -2.596 13.716 1.00 25.00 C ATOM 462 C THR A 32 15.095 -3.726 14.156 1.00 25.00 C ATOM 463 O THR A 32 16.272 -3.738 13.778 1.00 25.00 O ATOM 464 CB THR A 32 14.331 -1.366 14.633 1.00 25.00 C ATOM 465 OG1 THR A 32 13.507 -1.480 15.800 1.00 25.00 O ATOM 466 CG2 THR A 32 14.005 -0.075 13.884 1.00 25.00 C ATOM 0 H THR A 32 12.088 -2.498 14.225 1.00 25.00 H new ATOM 0 HA THR A 32 14.403 -2.305 12.698 1.00 25.00 H new ATOM 0 HB THR A 32 15.376 -1.331 14.942 1.00 25.00 H new ATOM 0 HG1 THR A 32 13.639 -0.695 16.371 1.00 25.00 H new ATOM 0 HG21 THR A 32 14.144 0.777 14.550 1.00 25.00 H new ATOM 0 HG22 THR A 32 14.668 0.024 13.024 1.00 25.00 H new ATOM 0 HG23 THR A 32 12.970 -0.104 13.543 1.00 25.00 H new ATOM 474 N ASP A 33 14.564 -4.676 14.937 1.00 25.00 N ATOM 475 CA ASP A 33 15.281 -5.909 15.274 1.00 25.00 C ATOM 476 C ASP A 33 14.789 -7.066 14.380 1.00 25.00 C ATOM 477 O ASP A 33 15.535 -8.010 14.104 1.00 25.00 O ATOM 478 CB ASP A 33 15.084 -6.245 16.762 1.00 25.00 C ATOM 479 CG ASP A 33 15.671 -5.200 17.700 1.00 25.00 C ATOM 480 OD1 ASP A 33 16.900 -4.979 17.647 1.00 25.00 O ATOM 481 OD2 ASP A 33 14.902 -4.605 18.483 1.00 25.00 O ATOM 0 H ASP A 33 13.633 -4.611 15.349 1.00 25.00 H new ATOM 0 HA ASP A 33 16.346 -5.764 15.094 1.00 25.00 H new ATOM 0 HB2 ASP A 33 14.018 -6.348 16.966 1.00 25.00 H new ATOM 0 HB3 ASP A 33 15.543 -7.211 16.973 1.00 25.00 H new ATOM 486 N GLY A 34 13.524 -6.963 13.941 1.00 25.00 N ATOM 487 CA GLY A 34 12.920 -7.951 13.050 1.00 25.00 C ATOM 488 C GLY A 34 12.043 -8.963 13.772 1.00 25.00 C ATOM 489 O GLY A 34 11.743 -10.025 13.221 1.00 25.00 O ATOM 0 H GLY A 34 12.900 -6.197 14.195 1.00 25.00 H new ATOM 0 HA2 GLY A 34 12.322 -7.434 12.299 1.00 25.00 H new ATOM 0 HA3 GLY A 34 13.711 -8.481 12.519 1.00 25.00 H new ATOM 493 N ASP A 35 11.631 -8.627 15.006 1.00 25.00 N ATOM 494 CA ASP A 35 10.724 -9.474 15.797 1.00 25.00 C ATOM 495 C ASP A 35 9.309 -9.474 15.190 1.00 25.00 C ATOM 496 O ASP A 35 8.573 -10.458 15.314 1.00 25.00 O ATOM 497 CB ASP A 35 10.691 -8.982 17.256 1.00 25.00 C ATOM 498 CG ASP A 35 11.895 -9.433 18.070 1.00 25.00 C ATOM 499 OD1 ASP A 35 12.590 -10.374 17.630 1.00 25.00 O ATOM 500 OD2 ASP A 35 12.140 -8.845 19.144 1.00 25.00 O ATOM 0 H ASP A 35 11.914 -7.769 15.479 1.00 25.00 H new ATOM 0 HA ASP A 35 11.095 -10.499 15.779 1.00 25.00 H new ATOM 0 HB2 ASP A 35 10.643 -7.893 17.264 1.00 25.00 H new ATOM 0 HB3 ASP A 35 9.781 -9.345 17.734 1.00 25.00 H new ATOM 505 N LYS A 36 8.948 -8.359 14.538 1.00 25.00 N ATOM 506 CA LYS A 36 7.683 -8.248 13.813 1.00 25.00 C ATOM 507 C LYS A 36 7.956 -8.196 12.310 1.00 25.00 C ATOM 508 O LYS A 36 8.895 -7.525 11.872 1.00 25.00 O ATOM 509 CB LYS A 36 6.921 -6.991 14.252 1.00 25.00 C ATOM 510 CG LYS A 36 6.452 -7.037 15.694 1.00 25.00 C ATOM 511 CD LYS A 36 5.692 -5.775 16.060 1.00 25.00 C ATOM 512 CE LYS A 36 5.199 -5.829 17.491 1.00 25.00 C ATOM 513 NZ LYS A 36 4.531 -4.563 17.903 1.00 25.00 N ATOM 0 H LYS A 36 9.523 -7.517 14.501 1.00 25.00 H new ATOM 0 HA LYS A 36 7.069 -9.120 14.039 1.00 25.00 H new ATOM 0 HB2 LYS A 36 7.563 -6.121 14.115 1.00 25.00 H new ATOM 0 HB3 LYS A 36 6.057 -6.855 13.602 1.00 25.00 H new ATOM 0 HG2 LYS A 36 5.813 -7.907 15.845 1.00 25.00 H new ATOM 0 HG3 LYS A 36 7.310 -7.154 16.356 1.00 25.00 H new ATOM 0 HD2 LYS A 36 6.338 -4.907 15.927 1.00 25.00 H new ATOM 0 HD3 LYS A 36 4.845 -5.648 15.385 1.00 25.00 H new ATOM 0 HE2 LYS A 36 4.501 -6.659 17.602 1.00 25.00 H new ATOM 0 HE3 LYS A 36 6.039 -6.028 18.156 1.00 25.00 H new ATOM 0 HZ1 LYS A 36 3.912 -4.746 18.719 1.00 25.00 H new ATOM 0 HZ2 LYS A 36 5.251 -3.860 18.166 1.00 25.00 H new ATOM 0 HZ3 LYS A 36 3.962 -4.197 17.113 1.00 25.00 H new ATOM 527 N VAL A 37 7.141 -8.908 11.525 1.00 25.00 N ATOM 528 CA VAL A 37 7.365 -9.011 10.079 1.00 25.00 C ATOM 529 C VAL A 37 6.030 -9.059 9.292 1.00 25.00 C ATOM 530 O VAL A 37 5.102 -9.784 9.664 1.00 25.00 O ATOM 531 CB VAL A 37 8.291 -10.237 9.746 1.00 25.00 C ATOM 532 CG1 VAL A 37 7.775 -11.553 10.339 1.00 25.00 C ATOM 533 CG2 VAL A 37 8.525 -10.370 8.244 1.00 25.00 C ATOM 0 H VAL A 37 6.325 -9.419 11.863 1.00 25.00 H new ATOM 0 HA VAL A 37 7.883 -8.108 9.754 1.00 25.00 H new ATOM 0 HB VAL A 37 9.249 -10.031 10.224 1.00 25.00 H new ATOM 0 HG11 VAL A 37 8.456 -12.362 10.075 1.00 25.00 H new ATOM 0 HG12 VAL A 37 7.718 -11.466 11.424 1.00 25.00 H new ATOM 0 HG13 VAL A 37 6.784 -11.768 9.940 1.00 25.00 H new ATOM 0 HG21 VAL A 37 9.169 -11.228 8.051 1.00 25.00 H new ATOM 0 HG22 VAL A 37 7.570 -10.512 7.738 1.00 25.00 H new ATOM 0 HG23 VAL A 37 9.003 -9.465 7.869 1.00 25.00 H new ATOM 543 N HIS A 38 5.965 -8.265 8.212 1.00 25.00 N ATOM 544 CA HIS A 38 4.810 -8.240 7.301 1.00 25.00 C ATOM 545 C HIS A 38 5.296 -8.438 5.855 1.00 25.00 C ATOM 546 O HIS A 38 6.387 -7.983 5.502 1.00 25.00 O ATOM 547 CB HIS A 38 4.051 -6.906 7.447 1.00 25.00 C ATOM 548 CG HIS A 38 3.278 -6.763 8.730 1.00 25.00 C ATOM 549 ND1 HIS A 38 3.422 -5.895 9.760 1.00 25.00 N flip ATOM 550 CD2 HIS A 38 2.219 -7.580 9.066 1.00 25.00 C flip ATOM 551 CE1 HIS A 38 2.457 -6.201 10.688 1.00 25.00 C flip ATOM 552 NE2 HIS A 38 1.744 -7.220 10.247 1.00 25.00 N flip ATOM 0 H HIS A 38 6.711 -7.623 7.946 1.00 25.00 H new ATOM 0 HA HIS A 38 4.125 -9.049 7.555 1.00 25.00 H new ATOM 0 HB2 HIS A 38 4.766 -6.086 7.376 1.00 25.00 H new ATOM 0 HB3 HIS A 38 3.362 -6.802 6.609 1.00 25.00 H new ATOM 0 HD1 HIS A 38 4.118 -5.152 9.833 1.00 25.00 H new ATOM 0 HD2 HIS A 38 1.837 -8.388 8.459 1.00 25.00 H new ATOM 0 HE1 HIS A 38 2.306 -5.690 11.627 1.00 25.00 H new ATOM 561 N THR A 39 4.485 -9.116 5.027 1.00 25.00 N ATOM 562 CA THR A 39 4.899 -9.468 3.662 1.00 25.00 C ATOM 563 C THR A 39 3.847 -9.057 2.612 1.00 25.00 C ATOM 564 O THR A 39 2.660 -9.370 2.744 1.00 25.00 O ATOM 565 CB THR A 39 5.198 -10.990 3.559 1.00 25.00 C ATOM 566 OG1 THR A 39 6.243 -11.340 4.474 1.00 25.00 O ATOM 567 CG2 THR A 39 5.630 -11.395 2.151 1.00 25.00 C ATOM 0 H THR A 39 3.547 -9.429 5.277 1.00 25.00 H new ATOM 0 HA THR A 39 5.810 -8.910 3.447 1.00 25.00 H new ATOM 0 HB THR A 39 4.276 -11.518 3.803 1.00 25.00 H new ATOM 0 HG1 THR A 39 6.428 -12.300 4.408 1.00 25.00 H new ATOM 0 HG21 THR A 39 5.829 -12.466 2.125 1.00 25.00 H new ATOM 0 HG22 THR A 39 4.836 -11.156 1.444 1.00 25.00 H new ATOM 0 HG23 THR A 39 6.535 -10.852 1.878 1.00 25.00 H new ATOM 575 N VAL A 40 4.320 -8.347 1.575 1.00 25.00 N ATOM 576 CA VAL A 40 3.502 -7.948 0.423 1.00 25.00 C ATOM 577 C VAL A 40 3.978 -8.697 -0.843 1.00 25.00 C ATOM 578 O VAL A 40 5.029 -8.378 -1.392 1.00 25.00 O ATOM 579 CB VAL A 40 3.614 -6.394 0.229 1.00 25.00 C ATOM 580 CG1 VAL A 40 2.863 -5.853 -0.996 1.00 25.00 C ATOM 581 CG2 VAL A 40 3.142 -5.660 1.471 1.00 25.00 C ATOM 0 H VAL A 40 5.288 -8.032 1.514 1.00 25.00 H new ATOM 0 HA VAL A 40 2.458 -8.208 0.599 1.00 25.00 H new ATOM 0 HB VAL A 40 4.673 -6.207 0.054 1.00 25.00 H new ATOM 0 HG11 VAL A 40 2.993 -4.772 -1.054 1.00 25.00 H new ATOM 0 HG12 VAL A 40 3.260 -6.316 -1.900 1.00 25.00 H new ATOM 0 HG13 VAL A 40 1.802 -6.086 -0.905 1.00 25.00 H new ATOM 0 HG21 VAL A 40 3.229 -4.585 1.313 1.00 25.00 H new ATOM 0 HG22 VAL A 40 2.101 -5.915 1.671 1.00 25.00 H new ATOM 0 HG23 VAL A 40 3.757 -5.953 2.322 1.00 25.00 H new ATOM 591 N VAL A 41 3.187 -9.672 -1.318 1.00 25.00 N ATOM 592 CA VAL A 41 3.501 -10.388 -2.562 1.00 25.00 C ATOM 593 C VAL A 41 3.001 -9.550 -3.749 1.00 25.00 C ATOM 594 O VAL A 41 1.815 -9.223 -3.823 1.00 25.00 O ATOM 595 CB VAL A 41 2.862 -11.817 -2.588 1.00 25.00 C ATOM 596 CG1 VAL A 41 3.212 -12.571 -3.873 1.00 25.00 C ATOM 597 CG2 VAL A 41 3.322 -12.629 -1.383 1.00 25.00 C ATOM 0 H VAL A 41 2.329 -9.981 -0.861 1.00 25.00 H new ATOM 0 HA VAL A 41 4.580 -10.525 -2.628 1.00 25.00 H new ATOM 0 HB VAL A 41 1.780 -11.687 -2.551 1.00 25.00 H new ATOM 0 HG11 VAL A 41 2.750 -13.558 -3.853 1.00 25.00 H new ATOM 0 HG12 VAL A 41 2.842 -12.014 -4.734 1.00 25.00 H new ATOM 0 HG13 VAL A 41 4.294 -12.678 -3.949 1.00 25.00 H new ATOM 0 HG21 VAL A 41 2.868 -13.619 -1.417 1.00 25.00 H new ATOM 0 HG22 VAL A 41 4.407 -12.726 -1.403 1.00 25.00 H new ATOM 0 HG23 VAL A 41 3.020 -12.123 -0.466 1.00 25.00 H new ATOM 607 N LEU A 42 3.909 -9.205 -4.671 1.00 25.00 N ATOM 608 CA LEU A 42 3.590 -8.238 -5.738 1.00 25.00 C ATOM 609 C LEU A 42 2.704 -8.815 -6.851 1.00 25.00 C ATOM 610 O LEU A 42 2.025 -8.053 -7.548 1.00 25.00 O ATOM 611 CB LEU A 42 4.856 -7.624 -6.382 1.00 25.00 C ATOM 612 CG LEU A 42 5.646 -6.559 -5.576 1.00 25.00 C ATOM 613 CD1 LEU A 42 5.882 -5.298 -6.390 1.00 25.00 C ATOM 614 CD2 LEU A 42 4.956 -6.214 -4.268 1.00 25.00 C ATOM 0 H LEU A 42 4.860 -9.574 -4.703 1.00 25.00 H new ATOM 0 HA LEU A 42 3.028 -7.458 -5.225 1.00 25.00 H new ATOM 0 HB2 LEU A 42 5.540 -8.440 -6.615 1.00 25.00 H new ATOM 0 HB3 LEU A 42 4.562 -7.174 -7.330 1.00 25.00 H new ATOM 0 HG LEU A 42 6.614 -7.003 -5.344 1.00 25.00 H new ATOM 0 HD11 LEU A 42 6.438 -4.577 -5.791 1.00 25.00 H new ATOM 0 HD12 LEU A 42 6.454 -5.544 -7.285 1.00 25.00 H new ATOM 0 HD13 LEU A 42 4.924 -4.867 -6.679 1.00 25.00 H new ATOM 0 HD21 LEU A 42 5.541 -5.465 -3.734 1.00 25.00 H new ATOM 0 HD22 LEU A 42 3.962 -5.818 -4.475 1.00 25.00 H new ATOM 0 HD23 LEU A 42 4.869 -7.111 -3.655 1.00 25.00 H new ATOM 626 N SER A 43 2.712 -10.148 -7.026 1.00 25.00 N ATOM 627 CA SER A 43 1.803 -10.818 -7.982 1.00 25.00 C ATOM 628 C SER A 43 0.339 -10.708 -7.518 1.00 25.00 C ATOM 629 O SER A 43 -0.587 -11.138 -8.215 1.00 25.00 O ATOM 630 CB SER A 43 2.202 -12.291 -8.159 1.00 25.00 C ATOM 631 OG SER A 43 2.065 -13.015 -6.949 1.00 25.00 O ATOM 0 H SER A 43 3.332 -10.782 -6.523 1.00 25.00 H new ATOM 0 HA SER A 43 1.892 -10.315 -8.945 1.00 25.00 H new ATOM 0 HB2 SER A 43 1.581 -12.747 -8.930 1.00 25.00 H new ATOM 0 HB3 SER A 43 3.234 -12.350 -8.505 1.00 25.00 H new ATOM 0 HG SER A 43 2.325 -13.949 -7.095 1.00 25.00 H new ATOM 637 N THR A 44 0.162 -10.112 -6.331 1.00 25.00 N ATOM 638 CA THR A 44 -1.156 -9.845 -5.754 1.00 25.00 C ATOM 639 C THR A 44 -1.385 -8.322 -5.650 1.00 25.00 C ATOM 640 O THR A 44 -2.402 -7.866 -5.119 1.00 25.00 O ATOM 641 CB THR A 44 -1.309 -10.494 -4.347 1.00 25.00 C ATOM 642 OG1 THR A 44 -0.516 -9.801 -3.372 1.00 25.00 O ATOM 643 CG2 THR A 44 -0.892 -11.961 -4.358 1.00 25.00 C ATOM 0 H THR A 44 0.936 -9.801 -5.743 1.00 25.00 H new ATOM 0 HA THR A 44 -1.903 -10.287 -6.413 1.00 25.00 H new ATOM 0 HB THR A 44 -2.364 -10.423 -4.083 1.00 25.00 H new ATOM 0 HG1 THR A 44 0.377 -9.629 -3.738 1.00 25.00 H new ATOM 0 HG21 THR A 44 -1.012 -12.381 -3.359 1.00 25.00 H new ATOM 0 HG22 THR A 44 -1.517 -12.512 -5.061 1.00 25.00 H new ATOM 0 HG23 THR A 44 0.152 -12.040 -4.662 1.00 25.00 H new ATOM 651 N ILE A 45 -0.413 -7.559 -6.173 1.00 25.00 N ATOM 652 CA ILE A 45 -0.420 -6.090 -6.140 1.00 25.00 C ATOM 653 C ILE A 45 -0.565 -5.544 -7.567 1.00 25.00 C ATOM 654 O ILE A 45 0.009 -6.095 -8.510 1.00 25.00 O ATOM 655 CB ILE A 45 0.902 -5.555 -5.480 1.00 25.00 C ATOM 656 CG1 ILE A 45 1.078 -6.101 -4.030 1.00 25.00 C ATOM 657 CG2 ILE A 45 1.004 -4.021 -5.504 1.00 25.00 C ATOM 658 CD1 ILE A 45 -0.020 -5.735 -3.025 1.00 25.00 C ATOM 0 H ILE A 45 0.408 -7.949 -6.635 1.00 25.00 H new ATOM 0 HA ILE A 45 -1.265 -5.749 -5.542 1.00 25.00 H new ATOM 0 HB ILE A 45 1.721 -5.935 -6.091 1.00 25.00 H new ATOM 0 HG12 ILE A 45 1.146 -7.188 -4.080 1.00 25.00 H new ATOM 0 HG13 ILE A 45 2.030 -5.739 -3.642 1.00 25.00 H new ATOM 0 HG21 ILE A 45 1.938 -3.711 -5.034 1.00 25.00 H new ATOM 0 HG22 ILE A 45 0.983 -3.671 -6.536 1.00 25.00 H new ATOM 0 HG23 ILE A 45 0.164 -3.592 -4.958 1.00 25.00 H new ATOM 0 HD11 ILE A 45 0.215 -6.172 -2.054 1.00 25.00 H new ATOM 0 HD12 ILE A 45 -0.080 -4.651 -2.930 1.00 25.00 H new ATOM 0 HD13 ILE A 45 -0.977 -6.122 -3.375 1.00 25.00 H new ATOM 670 N ASP A 46 -1.330 -4.456 -7.704 1.00 25.00 N ATOM 671 CA ASP A 46 -1.580 -3.835 -9.006 1.00 25.00 C ATOM 672 C ASP A 46 -0.959 -2.430 -9.083 1.00 25.00 C ATOM 673 O ASP A 46 -0.404 -2.056 -10.121 1.00 25.00 O ATOM 674 CB ASP A 46 -3.096 -3.779 -9.272 1.00 25.00 C ATOM 675 CG ASP A 46 -3.455 -3.140 -10.606 1.00 25.00 C ATOM 676 OD1 ASP A 46 -3.045 -3.682 -11.654 1.00 25.00 O ATOM 677 OD2 ASP A 46 -4.145 -2.099 -10.598 1.00 25.00 O ATOM 0 H ASP A 46 -1.788 -3.986 -6.923 1.00 25.00 H new ATOM 0 HA ASP A 46 -1.106 -4.443 -9.777 1.00 25.00 H new ATOM 0 HB2 ASP A 46 -3.500 -4.791 -9.243 1.00 25.00 H new ATOM 0 HB3 ASP A 46 -3.577 -3.220 -8.469 1.00 25.00 H new ATOM 682 N LYS A 47 -1.057 -1.663 -7.986 1.00 25.00 N ATOM 683 CA LYS A 47 -0.568 -0.278 -7.958 1.00 25.00 C ATOM 684 C LYS A 47 0.266 0.037 -6.708 1.00 25.00 C ATOM 685 O LYS A 47 0.323 -0.758 -5.768 1.00 25.00 O ATOM 686 CB LYS A 47 -1.743 0.700 -8.032 1.00 25.00 C ATOM 687 CG LYS A 47 -2.563 0.616 -9.307 1.00 25.00 C ATOM 688 CD LYS A 47 -3.826 1.478 -9.240 1.00 25.00 C ATOM 689 CE LYS A 47 -4.709 1.312 -10.473 1.00 25.00 C ATOM 690 NZ LYS A 47 -5.893 2.217 -10.446 1.00 25.00 N ATOM 0 H LYS A 47 -1.470 -1.979 -7.109 1.00 25.00 H new ATOM 0 HA LYS A 47 0.080 -0.163 -8.827 1.00 25.00 H new ATOM 0 HB2 LYS A 47 -2.401 0.521 -7.181 1.00 25.00 H new ATOM 0 HB3 LYS A 47 -1.359 1.715 -7.930 1.00 25.00 H new ATOM 0 HG2 LYS A 47 -1.952 0.935 -10.152 1.00 25.00 H new ATOM 0 HG3 LYS A 47 -2.843 -0.422 -9.489 1.00 25.00 H new ATOM 0 HD2 LYS A 47 -4.396 1.213 -8.350 1.00 25.00 H new ATOM 0 HD3 LYS A 47 -3.543 2.526 -9.138 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -4.121 1.513 -11.368 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -5.046 0.278 -10.539 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -6.463 2.069 -11.303 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -6.470 2.009 -9.606 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -5.573 3.206 -10.410 1.00 25.00 H new ATOM 704 N LEU A 48 0.921 1.219 -6.731 1.00 25.00 N ATOM 705 CA LEU A 48 1.750 1.717 -5.611 1.00 25.00 C ATOM 706 C LEU A 48 1.720 3.251 -5.616 1.00 25.00 C ATOM 707 O LEU A 48 1.941 3.869 -6.664 1.00 25.00 O ATOM 708 CB LEU A 48 3.224 1.244 -5.721 1.00 25.00 C ATOM 709 CG LEU A 48 3.639 0.631 -7.053 1.00 25.00 C ATOM 710 CD1 LEU A 48 3.851 1.702 -8.116 1.00 25.00 C ATOM 711 CD2 LEU A 48 4.891 -0.178 -6.872 1.00 25.00 C ATOM 0 H LEU A 48 0.890 1.855 -7.528 1.00 25.00 H new ATOM 0 HA LEU A 48 1.338 1.317 -4.685 1.00 25.00 H new ATOM 0 HB2 LEU A 48 3.873 2.097 -5.520 1.00 25.00 H new ATOM 0 HB3 LEU A 48 3.408 0.511 -4.935 1.00 25.00 H new ATOM 0 HG LEU A 48 2.834 -0.020 -7.394 1.00 25.00 H new ATOM 0 HD11 LEU A 48 4.146 1.231 -9.053 1.00 25.00 H new ATOM 0 HD12 LEU A 48 2.924 2.256 -8.264 1.00 25.00 H new ATOM 0 HD13 LEU A 48 4.635 2.387 -7.792 1.00 25.00 H new ATOM 0 HD21 LEU A 48 5.184 -0.614 -7.827 1.00 25.00 H new ATOM 0 HD22 LEU A 48 5.691 0.466 -6.507 1.00 25.00 H new ATOM 0 HD23 LEU A 48 4.709 -0.974 -6.150 1.00 25.00 H new ATOM 723 N GLN A 49 1.445 3.866 -4.457 1.00 25.00 N ATOM 724 CA GLN A 49 1.343 5.335 -4.363 1.00 25.00 C ATOM 725 C GLN A 49 2.220 5.872 -3.224 1.00 25.00 C ATOM 726 O GLN A 49 2.023 5.512 -2.066 1.00 25.00 O ATOM 727 CB GLN A 49 -0.132 5.768 -4.158 1.00 25.00 C ATOM 728 CG GLN A 49 -1.070 5.393 -5.312 1.00 25.00 C ATOM 729 CD GLN A 49 -2.501 5.883 -5.129 1.00 25.00 C ATOM 730 OE1 GLN A 49 -3.411 5.108 -4.820 1.00 25.00 O ATOM 731 NE2 GLN A 49 -2.708 7.179 -5.324 1.00 25.00 N ATOM 0 H GLN A 49 1.290 3.376 -3.576 1.00 25.00 H new ATOM 0 HA GLN A 49 1.702 5.759 -5.301 1.00 25.00 H new ATOM 0 HB2 GLN A 49 -0.506 5.315 -3.240 1.00 25.00 H new ATOM 0 HB3 GLN A 49 -0.164 6.848 -4.016 1.00 25.00 H new ATOM 0 HG2 GLN A 49 -0.671 5.804 -6.239 1.00 25.00 H new ATOM 0 HG3 GLN A 49 -1.079 4.309 -5.422 1.00 25.00 H new ATOM 0 HE21 GLN A 49 -1.930 7.787 -5.578 1.00 25.00 H new ATOM 0 HE22 GLN A 49 -3.645 7.567 -5.219 1.00 25.00 H new ATOM 740 N ALA A 50 3.192 6.734 -3.564 1.00 25.00 N ATOM 741 CA ALA A 50 4.125 7.302 -2.574 1.00 25.00 C ATOM 742 C ALA A 50 3.942 8.817 -2.409 1.00 25.00 C ATOM 743 O ALA A 50 3.554 9.510 -3.355 1.00 25.00 O ATOM 744 CB ALA A 50 5.557 6.986 -2.980 1.00 25.00 C ATOM 0 H ALA A 50 3.353 7.054 -4.519 1.00 25.00 H new ATOM 0 HA ALA A 50 3.906 6.844 -1.609 1.00 25.00 H new ATOM 0 HB1 ALA A 50 6.245 7.407 -2.246 1.00 25.00 H new ATOM 0 HB2 ALA A 50 5.692 5.905 -3.026 1.00 25.00 H new ATOM 0 HB3 ALA A 50 5.762 7.419 -3.959 1.00 25.00 H new ATOM 750 N THR A 51 4.228 9.320 -1.185 1.00 25.00 N ATOM 751 CA THR A 51 4.126 10.760 -0.861 1.00 25.00 C ATOM 752 C THR A 51 5.194 11.585 -1.618 1.00 25.00 C ATOM 753 O THR A 51 6.391 11.332 -1.445 1.00 25.00 O ATOM 754 CB THR A 51 4.287 11.036 0.661 1.00 25.00 C ATOM 755 OG1 THR A 51 5.506 10.459 1.146 1.00 25.00 O ATOM 756 CG2 THR A 51 3.111 10.478 1.467 1.00 25.00 C ATOM 0 H THR A 51 4.533 8.743 -0.401 1.00 25.00 H new ATOM 0 HA THR A 51 3.127 11.064 -1.174 1.00 25.00 H new ATOM 0 HB THR A 51 4.311 12.118 0.791 1.00 25.00 H new ATOM 0 HG1 THR A 51 6.195 10.520 0.452 1.00 25.00 H new ATOM 0 HG21 THR A 51 3.261 10.691 2.525 1.00 25.00 H new ATOM 0 HG22 THR A 51 2.185 10.945 1.131 1.00 25.00 H new ATOM 0 HG23 THR A 51 3.048 9.400 1.320 1.00 25.00 H new ATOM 764 N PRO A 52 4.784 12.577 -2.482 1.00 25.00 N ATOM 765 CA PRO A 52 5.736 13.474 -3.184 1.00 25.00 C ATOM 766 C PRO A 52 6.675 14.230 -2.232 1.00 25.00 C ATOM 767 O PRO A 52 6.420 14.309 -1.027 1.00 25.00 O ATOM 768 CB PRO A 52 4.834 14.489 -3.898 1.00 25.00 C ATOM 769 CG PRO A 52 3.502 13.841 -4.039 1.00 25.00 C ATOM 770 CD PRO A 52 3.379 12.875 -2.858 1.00 25.00 C ATOM 0 HA PRO A 52 6.385 12.897 -3.843 1.00 25.00 H new ATOM 0 HB2 PRO A 52 4.758 15.412 -3.324 1.00 25.00 H new ATOM 0 HB3 PRO A 52 5.243 14.753 -4.873 1.00 25.00 H new ATOM 0 HG2 PRO A 52 2.703 14.582 -4.022 1.00 25.00 H new ATOM 0 HG3 PRO A 52 3.424 13.310 -4.988 1.00 25.00 H new ATOM 0 HD2 PRO A 52 2.832 13.326 -2.030 1.00 25.00 H new ATOM 0 HD3 PRO A 52 2.841 11.969 -3.139 1.00 25.00 H new ATOM 778 N ALA A 53 7.758 14.790 -2.798 1.00 25.00 N ATOM 779 CA ALA A 53 8.733 15.584 -2.032 1.00 25.00 C ATOM 780 C ALA A 53 8.184 16.975 -1.681 1.00 25.00 C ATOM 781 O ALA A 53 8.805 17.720 -0.915 1.00 25.00 O ATOM 782 CB ALA A 53 10.039 15.703 -2.809 1.00 25.00 C ATOM 0 H ALA A 53 7.981 14.706 -3.790 1.00 25.00 H new ATOM 0 HA ALA A 53 8.924 15.064 -1.093 1.00 25.00 H new ATOM 0 HB1 ALA A 53 10.753 16.292 -2.233 1.00 25.00 H new ATOM 0 HB2 ALA A 53 10.449 14.709 -2.986 1.00 25.00 H new ATOM 0 HB3 ALA A 53 9.851 16.193 -3.764 1.00 25.00 H new ATOM 788 N SER A 54 7.020 17.308 -2.255 1.00 25.00 N ATOM 789 CA SER A 54 6.297 18.533 -1.920 1.00 25.00 C ATOM 790 C SER A 54 5.189 18.244 -0.893 1.00 25.00 C ATOM 791 O SER A 54 4.590 19.171 -0.339 1.00 25.00 O ATOM 792 CB SER A 54 5.703 19.154 -3.183 1.00 25.00 C ATOM 793 OG SER A 54 4.736 18.301 -3.777 1.00 25.00 O ATOM 0 H SER A 54 6.558 16.735 -2.961 1.00 25.00 H new ATOM 0 HA SER A 54 6.998 19.240 -1.477 1.00 25.00 H new ATOM 0 HB2 SER A 54 5.243 20.111 -2.937 1.00 25.00 H new ATOM 0 HB3 SER A 54 6.499 19.357 -3.899 1.00 25.00 H new ATOM 0 HG SER A 54 4.374 18.727 -4.582 1.00 25.00 H new ATOM 799 N SER A 55 4.934 16.945 -0.644 1.00 25.00 N ATOM 800 CA SER A 55 3.938 16.505 0.334 1.00 25.00 C ATOM 801 C SER A 55 4.472 16.581 1.765 1.00 25.00 C ATOM 802 O SER A 55 5.624 16.225 2.034 1.00 25.00 O ATOM 803 CB SER A 55 3.481 15.086 0.014 1.00 25.00 C ATOM 804 OG SER A 55 2.622 14.601 1.026 1.00 25.00 O ATOM 0 H SER A 55 5.414 16.179 -1.117 1.00 25.00 H new ATOM 0 HA SER A 55 3.086 17.182 0.267 1.00 25.00 H new ATOM 0 HB2 SER A 55 2.965 15.072 -0.946 1.00 25.00 H new ATOM 0 HB3 SER A 55 4.347 14.431 -0.080 1.00 25.00 H new ATOM 0 HG SER A 55 2.337 13.690 0.804 1.00 25.00 H new ATOM 810 N GLU A 56 3.605 17.058 2.675 1.00 25.00 N ATOM 811 CA GLU A 56 3.904 17.153 4.120 1.00 25.00 C ATOM 812 C GLU A 56 4.144 15.779 4.745 1.00 25.00 C ATOM 813 O GLU A 56 4.682 15.664 5.851 1.00 25.00 O ATOM 814 CB GLU A 56 2.732 17.807 4.848 1.00 25.00 C ATOM 815 CG GLU A 56 2.186 19.047 4.162 1.00 25.00 C ATOM 816 CD GLU A 56 1.396 18.723 2.908 1.00 25.00 C ATOM 817 OE1 GLU A 56 0.529 17.825 2.968 1.00 25.00 O ATOM 818 OE2 GLU A 56 1.642 19.368 1.868 1.00 25.00 O ATOM 0 H GLU A 56 2.672 17.391 2.431 1.00 25.00 H new ATOM 0 HA GLU A 56 4.811 17.750 4.222 1.00 25.00 H new ATOM 0 HB2 GLU A 56 1.928 17.077 4.948 1.00 25.00 H new ATOM 0 HB3 GLU A 56 3.048 18.073 5.857 1.00 25.00 H new ATOM 0 HG2 GLU A 56 1.548 19.591 4.858 1.00 25.00 H new ATOM 0 HG3 GLU A 56 3.013 19.709 3.905 1.00 25.00 H new ATOM 825 N LYS A 57 3.735 14.755 4.007 1.00 25.00 N ATOM 826 CA LYS A 57 3.702 13.391 4.481 1.00 25.00 C ATOM 827 C LYS A 57 4.922 12.582 4.065 1.00 25.00 C ATOM 828 O LYS A 57 5.563 12.867 3.048 1.00 25.00 O ATOM 829 CB LYS A 57 2.454 12.727 3.928 1.00 25.00 C ATOM 830 CG LYS A 57 1.143 13.288 4.443 1.00 25.00 C ATOM 831 CD LYS A 57 -0.066 12.579 3.876 1.00 25.00 C ATOM 832 CE LYS A 57 -0.942 12.102 5.009 1.00 25.00 C ATOM 833 NZ LYS A 57 -1.643 13.225 5.691 1.00 25.00 N ATOM 0 H LYS A 57 3.412 14.859 3.045 1.00 25.00 H new ATOM 0 HA LYS A 57 3.699 13.419 5.571 1.00 25.00 H new ATOM 0 HB2 LYS A 57 2.466 12.814 2.842 1.00 25.00 H new ATOM 0 HB3 LYS A 57 2.493 11.663 4.163 1.00 25.00 H new ATOM 0 HG2 LYS A 57 1.124 13.213 5.530 1.00 25.00 H new ATOM 0 HG3 LYS A 57 1.085 14.348 4.195 1.00 25.00 H new ATOM 0 HD2 LYS A 57 -0.626 13.253 3.227 1.00 25.00 H new ATOM 0 HD3 LYS A 57 0.248 11.734 3.263 1.00 25.00 H new ATOM 0 HE2 LYS A 57 -1.679 11.397 4.624 1.00 25.00 H new ATOM 0 HE3 LYS A 57 -0.333 11.563 5.734 1.00 25.00 H new ATOM 0 HZ1 LYS A 57 -2.232 12.850 6.461 1.00 25.00 H new ATOM 0 HZ2 LYS A 57 -0.942 13.886 6.082 1.00 25.00 H new ATOM 0 HZ3 LYS A 57 -2.245 13.725 5.006 1.00 25.00 H new ATOM 847 N MET A 58 5.229 11.570 4.881 1.00 25.00 N ATOM 848 CA MET A 58 6.223 10.560 4.538 1.00 25.00 C ATOM 849 C MET A 58 5.582 9.178 4.627 1.00 25.00 C ATOM 850 O MET A 58 5.463 8.601 5.713 1.00 25.00 O ATOM 851 CB MET A 58 7.432 10.655 5.480 1.00 25.00 C ATOM 852 CG MET A 58 8.179 11.985 5.388 1.00 25.00 C ATOM 853 SD MET A 58 9.638 12.052 6.449 1.00 25.00 S ATOM 854 CE MET A 58 8.895 12.160 8.078 1.00 25.00 C ATOM 0 H MET A 58 4.795 11.432 5.794 1.00 25.00 H new ATOM 0 HA MET A 58 6.576 10.729 3.521 1.00 25.00 H new ATOM 0 HB2 MET A 58 7.094 10.508 6.506 1.00 25.00 H new ATOM 0 HB3 MET A 58 8.123 9.844 5.253 1.00 25.00 H new ATOM 0 HG2 MET A 58 8.481 12.155 4.354 1.00 25.00 H new ATOM 0 HG3 MET A 58 7.502 12.795 5.660 1.00 25.00 H new ATOM 0 HE1 MET A 58 9.671 12.351 8.820 1.00 25.00 H new ATOM 0 HE2 MET A 58 8.170 12.974 8.094 1.00 25.00 H new ATOM 0 HE3 MET A 58 8.392 11.221 8.312 1.00 25.00 H new ATOM 864 N MET A 59 5.165 8.655 3.463 1.00 25.00 N ATOM 865 CA MET A 59 4.443 7.385 3.379 1.00 25.00 C ATOM 866 C MET A 59 4.602 6.741 2.003 1.00 25.00 C ATOM 867 O MET A 59 4.852 7.426 1.007 1.00 25.00 O ATOM 868 CB MET A 59 2.946 7.590 3.667 1.00 25.00 C ATOM 869 CG MET A 59 2.627 8.184 5.040 1.00 25.00 C ATOM 870 SD MET A 59 0.907 8.734 5.305 1.00 25.00 S ATOM 871 CE MET A 59 0.855 9.309 7.002 1.00 25.00 C ATOM 0 H MET A 59 5.320 9.102 2.559 1.00 25.00 H new ATOM 0 HA MET A 59 4.873 6.722 4.130 1.00 25.00 H new ATOM 0 HB2 MET A 59 2.530 8.243 2.900 1.00 25.00 H new ATOM 0 HB3 MET A 59 2.439 6.629 3.577 1.00 25.00 H new ATOM 0 HG2 MET A 59 2.869 7.440 5.799 1.00 25.00 H new ATOM 0 HG3 MET A 59 3.288 9.035 5.206 1.00 25.00 H new ATOM 0 HE1 MET A 59 -0.151 9.657 7.238 1.00 25.00 H new ATOM 0 HE2 MET A 59 1.122 8.491 7.672 1.00 25.00 H new ATOM 0 HE3 MET A 59 1.562 10.129 7.130 1.00 25.00 H new ATOM 881 N LEU A 60 4.457 5.411 1.972 1.00 25.00 N ATOM 882 CA LEU A 60 4.472 4.647 0.727 1.00 25.00 C ATOM 883 C LEU A 60 3.322 3.638 0.734 1.00 25.00 C ATOM 884 O LEU A 60 3.256 2.764 1.602 1.00 25.00 O ATOM 885 CB LEU A 60 5.825 3.928 0.557 1.00 25.00 C ATOM 886 CG LEU A 60 5.915 2.891 -0.577 1.00 25.00 C ATOM 887 CD1 LEU A 60 5.744 3.558 -1.921 1.00 25.00 C ATOM 888 CD2 LEU A 60 7.234 2.139 -0.574 1.00 25.00 C ATOM 0 H LEU A 60 4.327 4.840 2.807 1.00 25.00 H new ATOM 0 HA LEU A 60 4.341 5.327 -0.115 1.00 25.00 H new ATOM 0 HB2 LEU A 60 6.594 4.683 0.391 1.00 25.00 H new ATOM 0 HB3 LEU A 60 6.066 3.429 1.495 1.00 25.00 H new ATOM 0 HG LEU A 60 5.111 2.176 -0.402 1.00 25.00 H new ATOM 0 HD11 LEU A 60 5.811 2.809 -2.710 1.00 25.00 H new ATOM 0 HD12 LEU A 60 4.770 4.045 -1.964 1.00 25.00 H new ATOM 0 HD13 LEU A 60 6.528 4.302 -2.060 1.00 25.00 H new ATOM 0 HD21 LEU A 60 7.245 1.420 -1.394 1.00 25.00 H new ATOM 0 HD22 LEU A 60 8.055 2.845 -0.699 1.00 25.00 H new ATOM 0 HD23 LEU A 60 7.350 1.611 0.373 1.00 25.00 H new ATOM 900 N ARG A 61 2.422 3.766 -0.244 1.00 25.00 N ATOM 901 CA ARG A 61 1.227 2.921 -0.323 1.00 25.00 C ATOM 902 C ARG A 61 1.393 1.802 -1.355 1.00 25.00 C ATOM 903 O ARG A 61 2.056 1.977 -2.382 1.00 25.00 O ATOM 904 CB ARG A 61 -0.007 3.756 -0.675 1.00 25.00 C ATOM 905 CG ARG A 61 -0.483 4.662 0.446 1.00 25.00 C ATOM 906 CD ARG A 61 -1.792 5.367 0.108 1.00 25.00 C ATOM 907 NE ARG A 61 -2.770 4.472 -0.536 1.00 25.00 N ATOM 908 CZ ARG A 61 -3.789 4.877 -1.310 1.00 25.00 C ATOM 909 NH1 ARG A 61 -3.977 6.165 -1.589 1.00 25.00 N ATOM 910 NH2 ARG A 61 -4.623 3.978 -1.814 1.00 25.00 N ATOM 0 H ARG A 61 2.499 4.451 -0.996 1.00 25.00 H new ATOM 0 HA ARG A 61 1.091 2.469 0.659 1.00 25.00 H new ATOM 0 HB2 ARG A 61 0.218 4.366 -1.550 1.00 25.00 H new ATOM 0 HB3 ARG A 61 -0.819 3.085 -0.955 1.00 25.00 H new ATOM 0 HG2 ARG A 61 -0.614 4.073 1.354 1.00 25.00 H new ATOM 0 HG3 ARG A 61 0.284 5.407 0.657 1.00 25.00 H new ATOM 0 HD2 ARG A 61 -2.226 5.776 1.020 1.00 25.00 H new ATOM 0 HD3 ARG A 61 -1.586 6.209 -0.553 1.00 25.00 H new ATOM 0 HE ARG A 61 -2.664 3.469 -0.382 1.00 25.00 H new ATOM 0 HH11 ARG A 61 -3.340 6.867 -1.212 1.00 25.00 H new ATOM 0 HH12 ARG A 61 -4.758 6.450 -2.180 1.00 25.00 H new ATOM 0 HH21 ARG A 61 -4.488 2.987 -1.613 1.00 25.00 H new ATOM 0 HH22 ARG A 61 -5.400 4.277 -2.403 1.00 25.00 H new ATOM 924 N LEU A 62 0.778 0.655 -1.056 1.00 25.00 N ATOM 925 CA LEU A 62 0.810 -0.526 -1.919 1.00 25.00 C ATOM 926 C LEU A 62 -0.617 -1.035 -2.171 1.00 25.00 C ATOM 927 O LEU A 62 -1.276 -1.549 -1.264 1.00 25.00 O ATOM 928 CB LEU A 62 1.672 -1.627 -1.259 1.00 25.00 C ATOM 929 CG LEU A 62 3.208 -1.608 -1.480 1.00 25.00 C ATOM 930 CD1 LEU A 62 3.539 -1.726 -2.952 1.00 25.00 C ATOM 931 CD2 LEU A 62 3.884 -0.374 -0.881 1.00 25.00 C ATOM 0 H LEU A 62 0.239 0.520 -0.200 1.00 25.00 H new ATOM 0 HA LEU A 62 1.253 -0.260 -2.879 1.00 25.00 H new ATOM 0 HB2 LEU A 62 1.493 -1.586 -0.185 1.00 25.00 H new ATOM 0 HB3 LEU A 62 1.300 -2.590 -1.608 1.00 25.00 H new ATOM 0 HG LEU A 62 3.605 -2.474 -0.950 1.00 25.00 H new ATOM 0 HD11 LEU A 62 4.621 -1.711 -3.084 1.00 25.00 H new ATOM 0 HD12 LEU A 62 3.139 -2.663 -3.341 1.00 25.00 H new ATOM 0 HD13 LEU A 62 3.096 -0.890 -3.493 1.00 25.00 H new ATOM 0 HD21 LEU A 62 4.957 -0.420 -1.069 1.00 25.00 H new ATOM 0 HD22 LEU A 62 3.473 0.525 -1.340 1.00 25.00 H new ATOM 0 HD23 LEU A 62 3.705 -0.347 0.194 1.00 25.00 H new ATOM 943 N ILE A 63 -1.075 -0.900 -3.418 1.00 25.00 N ATOM 944 CA ILE A 63 -2.458 -1.230 -3.808 1.00 25.00 C ATOM 945 C ILE A 63 -2.591 -2.734 -4.129 1.00 25.00 C ATOM 946 O ILE A 63 -1.726 -3.316 -4.781 1.00 25.00 O ATOM 947 CB ILE A 63 -2.899 -0.348 -5.036 1.00 25.00 C ATOM 948 CG1 ILE A 63 -2.778 1.161 -4.755 1.00 25.00 C ATOM 949 CG2 ILE A 63 -4.326 -0.624 -5.498 1.00 25.00 C ATOM 950 CD1 ILE A 63 -3.626 1.675 -3.622 1.00 25.00 C ATOM 0 H ILE A 63 -0.502 -0.559 -4.190 1.00 25.00 H new ATOM 0 HA ILE A 63 -3.120 -1.009 -2.971 1.00 25.00 H new ATOM 0 HB ILE A 63 -2.206 -0.635 -5.827 1.00 25.00 H new ATOM 0 HG12 ILE A 63 -1.735 1.391 -4.539 1.00 25.00 H new ATOM 0 HG13 ILE A 63 -3.044 1.705 -5.661 1.00 25.00 H new ATOM 0 HG21 ILE A 63 -4.564 0.017 -6.346 1.00 25.00 H new ATOM 0 HG22 ILE A 63 -4.416 -1.669 -5.796 1.00 25.00 H new ATOM 0 HG23 ILE A 63 -5.019 -0.418 -4.682 1.00 25.00 H new ATOM 0 HD11 ILE A 63 -3.468 2.747 -3.507 1.00 25.00 H new ATOM 0 HD12 ILE A 63 -4.677 1.485 -3.839 1.00 25.00 H new ATOM 0 HD13 ILE A 63 -3.348 1.166 -2.699 1.00 25.00 H new ATOM 962 N GLY A 64 -3.699 -3.333 -3.671 1.00 25.00 N ATOM 963 CA GLY A 64 -3.952 -4.753 -3.889 1.00 25.00 C ATOM 964 C GLY A 64 -4.757 -5.031 -5.148 1.00 25.00 C ATOM 965 O GLY A 64 -5.479 -4.157 -5.637 1.00 25.00 O ATOM 0 H GLY A 64 -4.431 -2.851 -3.148 1.00 25.00 H new ATOM 0 HA2 GLY A 64 -3.000 -5.280 -3.951 1.00 25.00 H new ATOM 0 HA3 GLY A 64 -4.485 -5.157 -3.028 1.00 25.00 H new ATOM 969 N LYS A 65 -4.628 -6.260 -5.662 1.00 25.00 N ATOM 970 CA LYS A 65 -5.313 -6.685 -6.886 1.00 25.00 C ATOM 971 C LYS A 65 -6.773 -7.065 -6.643 1.00 25.00 C ATOM 972 O LYS A 65 -7.080 -8.002 -5.898 1.00 25.00 O ATOM 973 CB LYS A 65 -4.566 -7.845 -7.525 1.00 25.00 C ATOM 974 CG LYS A 65 -5.277 -8.396 -8.740 1.00 25.00 C ATOM 975 CD LYS A 65 -4.641 -9.678 -9.232 1.00 25.00 C ATOM 976 CE LYS A 65 -3.283 -9.412 -9.861 1.00 25.00 C ATOM 977 NZ LYS A 65 -2.625 -10.659 -10.334 1.00 25.00 N ATOM 0 H LYS A 65 -4.047 -6.985 -5.241 1.00 25.00 H new ATOM 0 HA LYS A 65 -5.317 -5.832 -7.564 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -3.567 -7.515 -7.812 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -4.441 -8.640 -6.790 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -6.323 -8.580 -8.496 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -5.261 -7.653 -9.538 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -4.530 -10.374 -8.401 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -5.295 -10.155 -9.962 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -3.402 -8.726 -10.700 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -2.639 -8.918 -9.134 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -2.215 -10.499 -11.276 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -1.871 -10.927 -9.669 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -3.328 -11.424 -10.388 1.00 25.00 H new ATOM 1019 N GLU A 68 -12.530 -6.012 -10.883 1.00 25.00 N ATOM 1020 CA GLU A 68 -13.575 -4.992 -11.053 1.00 25.00 C ATOM 1021 C GLU A 68 -14.703 -5.459 -11.989 1.00 25.00 C ATOM 1022 O GLU A 68 -15.676 -4.730 -12.208 1.00 25.00 O ATOM 1023 CB GLU A 68 -12.952 -3.679 -11.549 1.00 25.00 C ATOM 1024 CG GLU A 68 -12.070 -2.988 -10.510 1.00 25.00 C ATOM 1025 CD GLU A 68 -11.428 -1.720 -11.040 1.00 25.00 C ATOM 1026 OE1 GLU A 68 -11.619 -1.411 -12.234 1.00 25.00 O ATOM 1027 OE2 GLU A 68 -10.730 -1.038 -10.260 1.00 25.00 O ATOM 0 HA GLU A 68 -14.033 -4.822 -10.079 1.00 25.00 H new ATOM 0 HB2 GLU A 68 -12.358 -3.883 -12.440 1.00 25.00 H new ATOM 0 HB3 GLU A 68 -13.749 -2.998 -11.847 1.00 25.00 H new ATOM 0 HG2 GLU A 68 -12.670 -2.748 -9.632 1.00 25.00 H new ATOM 0 HG3 GLU A 68 -11.290 -3.677 -10.185 1.00 25.00 H new ATOM 1034 N SER A 69 -14.569 -6.683 -12.528 1.00 25.00 N ATOM 1035 CA SER A 69 -15.603 -7.293 -13.379 1.00 25.00 C ATOM 1036 C SER A 69 -16.775 -7.851 -12.544 1.00 25.00 C ATOM 1037 O SER A 69 -17.776 -8.321 -13.096 1.00 25.00 O ATOM 1038 CB SER A 69 -14.987 -8.405 -14.241 1.00 25.00 C ATOM 1039 OG SER A 69 -14.711 -9.565 -13.472 1.00 25.00 O ATOM 0 H SER A 69 -13.748 -7.272 -12.387 1.00 25.00 H new ATOM 0 HA SER A 69 -16.003 -6.513 -14.027 1.00 25.00 H new ATOM 0 HB2 SER A 69 -15.670 -8.659 -15.052 1.00 25.00 H new ATOM 0 HB3 SER A 69 -14.067 -8.044 -14.700 1.00 25.00 H new ATOM 0 HG SER A 69 -14.322 -10.255 -14.049 1.00 25.00 H new ATOM 1045 N LYS A 70 -16.632 -7.780 -11.212 1.00 25.00 N ATOM 1046 CA LYS A 70 -17.670 -8.217 -10.263 1.00 25.00 C ATOM 1047 C LYS A 70 -18.593 -7.038 -9.876 1.00 25.00 C ATOM 1048 O LYS A 70 -19.086 -6.949 -8.743 1.00 25.00 O ATOM 1049 CB LYS A 70 -17.004 -8.814 -9.010 1.00 25.00 C ATOM 1050 CG LYS A 70 -16.174 -10.064 -9.296 1.00 25.00 C ATOM 1051 CD LYS A 70 -15.508 -10.638 -8.041 1.00 25.00 C ATOM 1052 CE LYS A 70 -14.655 -11.875 -8.321 1.00 25.00 C ATOM 1053 NZ LYS A 70 -13.788 -12.227 -7.163 1.00 25.00 N ATOM 0 H LYS A 70 -15.792 -7.417 -10.761 1.00 25.00 H new ATOM 0 HA LYS A 70 -18.285 -8.980 -10.740 1.00 25.00 H new ATOM 0 HB2 LYS A 70 -16.363 -8.059 -8.555 1.00 25.00 H new ATOM 0 HB3 LYS A 70 -17.776 -9.059 -8.280 1.00 25.00 H new ATOM 0 HG2 LYS A 70 -16.815 -10.825 -9.742 1.00 25.00 H new ATOM 0 HG3 LYS A 70 -15.406 -9.824 -10.031 1.00 25.00 H new ATOM 0 HD2 LYS A 70 -14.883 -9.870 -7.586 1.00 25.00 H new ATOM 0 HD3 LYS A 70 -16.279 -10.894 -7.314 1.00 25.00 H new ATOM 0 HE2 LYS A 70 -15.305 -12.718 -8.557 1.00 25.00 H new ATOM 0 HE3 LYS A 70 -14.033 -11.696 -9.198 1.00 25.00 H new ATOM 0 HZ1 LYS A 70 -13.226 -13.071 -7.394 1.00 25.00 H new ATOM 0 HZ2 LYS A 70 -13.150 -11.433 -6.953 1.00 25.00 H new ATOM 0 HZ3 LYS A 70 -14.382 -12.423 -6.332 1.00 25.00 H new ATOM 1067 N LYS A 71 -18.817 -6.153 -10.849 1.00 25.00 N ATOM 1068 CA LYS A 71 -19.608 -4.911 -10.686 1.00 25.00 C ATOM 1069 C LYS A 71 -20.934 -5.129 -9.946 1.00 25.00 C ATOM 1070 O LYS A 71 -21.734 -5.995 -10.317 1.00 25.00 O ATOM 1071 CB LYS A 71 -19.918 -4.302 -12.066 1.00 25.00 C ATOM 1072 CG LYS A 71 -18.721 -3.754 -12.832 1.00 25.00 C ATOM 1073 CD LYS A 71 -19.121 -3.217 -14.201 1.00 25.00 C ATOM 1074 CE LYS A 71 -17.907 -2.799 -15.010 1.00 25.00 C ATOM 1075 NZ LYS A 71 -16.987 -1.910 -14.244 1.00 25.00 N ATOM 0 H LYS A 71 -18.451 -6.273 -11.794 1.00 25.00 H new ATOM 0 HA LYS A 71 -18.997 -4.239 -10.084 1.00 25.00 H new ATOM 0 HB2 LYS A 71 -20.400 -5.064 -12.679 1.00 25.00 H new ATOM 0 HB3 LYS A 71 -20.640 -3.496 -11.933 1.00 25.00 H new ATOM 0 HG2 LYS A 71 -18.252 -2.959 -12.253 1.00 25.00 H new ATOM 0 HG3 LYS A 71 -17.977 -4.541 -12.954 1.00 25.00 H new ATOM 0 HD2 LYS A 71 -19.677 -3.981 -14.745 1.00 25.00 H new ATOM 0 HD3 LYS A 71 -19.789 -2.364 -14.078 1.00 25.00 H new ATOM 0 HE2 LYS A 71 -17.364 -3.688 -15.330 1.00 25.00 H new ATOM 0 HE3 LYS A 71 -18.236 -2.284 -15.913 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 -16.279 -1.505 -14.889 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 -17.533 -1.143 -13.803 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 -16.506 -2.462 -13.505 1.00 25.00 H new ATOM 1089 N ARG A 72 -21.138 -4.329 -8.891 1.00 25.00 N ATOM 1090 CA ARG A 72 -22.351 -4.389 -8.083 1.00 25.00 C ATOM 1091 C ARG A 72 -23.226 -3.157 -8.358 1.00 25.00 C ATOM 1092 O ARG A 72 -22.712 -2.100 -8.725 1.00 25.00 O ATOM 1093 CB ARG A 72 -21.963 -4.462 -6.597 1.00 25.00 C ATOM 1094 CG ARG A 72 -21.323 -5.785 -6.169 1.00 25.00 C ATOM 1095 CD ARG A 72 -20.910 -5.769 -4.702 1.00 25.00 C ATOM 1096 NE ARG A 72 -22.033 -5.453 -3.806 1.00 25.00 N ATOM 1097 CZ ARG A 72 -22.206 -4.280 -3.180 1.00 25.00 C ATOM 1098 NH1 ARG A 72 -21.338 -3.281 -3.331 1.00 25.00 N ATOM 1099 NH2 ARG A 72 -23.260 -4.109 -2.394 1.00 25.00 N ATOM 0 H ARG A 72 -20.467 -3.627 -8.579 1.00 25.00 H new ATOM 0 HA ARG A 72 -22.925 -5.278 -8.344 1.00 25.00 H new ATOM 0 HB2 ARG A 72 -21.270 -3.650 -6.376 1.00 25.00 H new ATOM 0 HB3 ARG A 72 -22.855 -4.293 -5.994 1.00 25.00 H new ATOM 0 HG2 ARG A 72 -22.026 -6.600 -6.339 1.00 25.00 H new ATOM 0 HG3 ARG A 72 -20.449 -5.983 -6.790 1.00 25.00 H new ATOM 0 HD2 ARG A 72 -20.497 -6.741 -4.433 1.00 25.00 H new ATOM 0 HD3 ARG A 72 -20.117 -5.035 -4.559 1.00 25.00 H new ATOM 0 HE ARG A 72 -22.731 -6.180 -3.649 1.00 25.00 H new ATOM 0 HH11 ARG A 72 -20.523 -3.400 -3.932 1.00 25.00 H new ATOM 0 HH12 ARG A 72 -21.489 -2.397 -2.845 1.00 25.00 H new ATOM 0 HH21 ARG A 72 -23.932 -4.867 -2.269 1.00 25.00 H new ATOM 0 HH22 ARG A 72 -23.399 -3.220 -1.914 1.00 25.00 H new ATOM 1113 N LYS A 73 -24.544 -3.313 -8.190 1.00 25.00 N ATOM 1114 CA LYS A 73 -25.488 -2.203 -8.341 1.00 25.00 C ATOM 1115 C LYS A 73 -26.356 -2.070 -7.095 1.00 25.00 C ATOM 1116 O LYS A 73 -26.734 -3.071 -6.478 1.00 25.00 O ATOM 1117 CB LYS A 73 -26.368 -2.390 -9.580 1.00 25.00 C ATOM 1118 CG LYS A 73 -25.574 -2.326 -10.868 1.00 25.00 C ATOM 1119 CD LYS A 73 -26.454 -2.419 -12.092 1.00 25.00 C ATOM 1120 CE LYS A 73 -25.619 -2.323 -13.352 1.00 25.00 C ATOM 1121 NZ LYS A 73 -26.450 -2.413 -14.585 1.00 25.00 N ATOM 0 H LYS A 73 -24.981 -4.202 -7.948 1.00 25.00 H new ATOM 0 HA LYS A 73 -24.911 -1.287 -8.470 1.00 25.00 H new ATOM 0 HB2 LYS A 73 -26.878 -3.351 -9.518 1.00 25.00 H new ATOM 0 HB3 LYS A 73 -27.140 -1.620 -9.594 1.00 25.00 H new ATOM 0 HG2 LYS A 73 -25.011 -1.393 -10.899 1.00 25.00 H new ATOM 0 HG3 LYS A 73 -24.847 -3.138 -10.884 1.00 25.00 H new ATOM 0 HD2 LYS A 73 -27.002 -3.361 -12.083 1.00 25.00 H new ATOM 0 HD3 LYS A 73 -27.194 -1.619 -12.077 1.00 25.00 H new ATOM 0 HE2 LYS A 73 -25.072 -1.380 -13.352 1.00 25.00 H new ATOM 0 HE3 LYS A 73 -24.877 -3.122 -13.356 1.00 25.00 H new ATOM 0 HZ1 LYS A 73 -25.837 -2.343 -15.422 1.00 25.00 H new ATOM 0 HZ2 LYS A 73 -26.953 -3.323 -14.599 1.00 25.00 H new ATOM 0 HZ3 LYS A 73 -27.141 -1.636 -14.595 1.00 25.00 H new ATOM 1135 N ASP A 74 -26.668 -0.822 -6.739 1.00 25.00 N ATOM 1136 CA ASP A 74 -27.444 -0.513 -5.532 1.00 25.00 C ATOM 1137 C ASP A 74 -28.965 -0.662 -5.774 1.00 25.00 C ATOM 1138 O ASP A 74 -29.374 -1.185 -6.814 1.00 25.00 O ATOM 1139 CB ASP A 74 -27.078 0.900 -5.017 1.00 25.00 C ATOM 1140 CG ASP A 74 -27.514 2.027 -5.944 1.00 25.00 C ATOM 1141 OD1 ASP A 74 -28.241 1.744 -6.920 1.00 25.00 O ATOM 1142 OD2 ASP A 74 -27.126 3.188 -5.693 1.00 25.00 O ATOM 0 H ASP A 74 -26.392 0.001 -7.275 1.00 25.00 H new ATOM 0 HA ASP A 74 -27.184 -1.237 -4.760 1.00 25.00 H new ATOM 0 HB2 ASP A 74 -27.536 1.049 -4.039 1.00 25.00 H new ATOM 0 HB3 ASP A 74 -25.999 0.956 -4.876 1.00 25.00 H new ATOM 1147 N ASN A 75 -29.790 -0.200 -4.817 1.00 25.00 N ATOM 1148 CA ASN A 75 -31.261 -0.351 -4.878 1.00 25.00 C ATOM 1149 C ASN A 75 -31.886 0.241 -6.154 1.00 25.00 C ATOM 1150 O ASN A 75 -32.889 -0.281 -6.654 1.00 25.00 O ATOM 1151 CB ASN A 75 -31.907 0.309 -3.648 1.00 25.00 C ATOM 1152 CG ASN A 75 -31.707 -0.471 -2.350 1.00 25.00 C ATOM 1153 OD1 ASN A 75 -31.418 -1.667 -2.380 1.00 25.00 O ATOM 1154 ND2 ASN A 75 -31.831 0.200 -1.206 1.00 25.00 N ATOM 0 H ASN A 75 -29.461 0.286 -3.983 1.00 25.00 H new ATOM 0 HA ASN A 75 -31.458 -1.423 -4.892 1.00 25.00 H new ATOM 0 HB2 ASN A 75 -31.494 1.310 -3.526 1.00 25.00 H new ATOM 0 HB3 ASN A 75 -32.975 0.425 -3.829 1.00 25.00 H new ATOM 0 HD21 ASN A 75 -31.685 -0.277 -0.316 1.00 25.00 H new ATOM 0 HD22 ASN A 75 -32.072 1.191 -1.220 1.00 25.00 H new ATOM 1161 N GLU A 76 -31.278 1.308 -6.684 1.00 25.00 N ATOM 1162 CA GLU A 76 -31.837 2.029 -7.837 1.00 25.00 C ATOM 1163 C GLU A 76 -31.322 1.478 -9.174 1.00 25.00 C ATOM 1164 O GLU A 76 -31.959 1.681 -10.214 1.00 25.00 O ATOM 1165 CB GLU A 76 -31.530 3.530 -7.733 1.00 25.00 C ATOM 1166 CG GLU A 76 -32.157 4.206 -6.518 1.00 25.00 C ATOM 1167 CD GLU A 76 -31.831 5.685 -6.438 1.00 25.00 C ATOM 1168 OE1 GLU A 76 -31.136 6.191 -7.343 1.00 25.00 O ATOM 1169 OE2 GLU A 76 -32.269 6.338 -5.467 1.00 25.00 O ATOM 0 H GLU A 76 -30.400 1.692 -6.335 1.00 25.00 H new ATOM 0 HA GLU A 76 -32.916 1.878 -7.815 1.00 25.00 H new ATOM 0 HB2 GLU A 76 -30.449 3.668 -7.696 1.00 25.00 H new ATOM 0 HB3 GLU A 76 -31.884 4.027 -8.636 1.00 25.00 H new ATOM 0 HG2 GLU A 76 -33.239 4.078 -6.554 1.00 25.00 H new ATOM 0 HG3 GLU A 76 -31.808 3.712 -5.612 1.00 25.00 H new ATOM 1176 N GLY A 77 -30.176 0.781 -9.140 1.00 25.00 N ATOM 1177 CA GLY A 77 -29.607 0.195 -10.348 1.00 25.00 C ATOM 1178 C GLY A 77 -28.392 0.947 -10.871 1.00 25.00 C ATOM 1179 O GLY A 77 -28.010 0.774 -12.031 1.00 25.00 O ATOM 0 H GLY A 77 -29.634 0.614 -8.292 1.00 25.00 H new ATOM 0 HA2 GLY A 77 -29.325 -0.838 -10.144 1.00 25.00 H new ATOM 0 HA3 GLY A 77 -30.371 0.169 -11.125 1.00 25.00 H new ATOM 1183 N ASN A 78 -27.789 1.780 -10.012 1.00 25.00 N ATOM 1184 CA ASN A 78 -26.565 2.513 -10.358 1.00 25.00 C ATOM 1185 C ASN A 78 -25.335 1.668 -10.034 1.00 25.00 C ATOM 1186 O ASN A 78 -25.337 0.907 -9.060 1.00 25.00 O ATOM 1187 CB ASN A 78 -26.499 3.847 -9.602 1.00 25.00 C ATOM 1188 CG ASN A 78 -27.679 4.754 -9.900 1.00 25.00 C ATOM 1189 OD1 ASN A 78 -27.921 5.120 -11.051 1.00 25.00 O ATOM 1190 ND2 ASN A 78 -28.417 5.126 -8.861 1.00 25.00 N ATOM 0 H ASN A 78 -28.131 1.963 -9.069 1.00 25.00 H new ATOM 0 HA ASN A 78 -26.582 2.722 -11.428 1.00 25.00 H new ATOM 0 HB2 ASN A 78 -26.460 3.650 -8.531 1.00 25.00 H new ATOM 0 HB3 ASN A 78 -25.575 4.363 -9.865 1.00 25.00 H new ATOM 0 HD21 ASN A 78 -29.221 5.739 -9.000 1.00 25.00 H new ATOM 0 HD22 ASN A 78 -28.180 4.799 -7.924 1.00 25.00 H new ATOM 1197 N GLU A 79 -24.285 1.809 -10.856 1.00 25.00 N ATOM 1198 CA GLU A 79 -23.081 0.985 -10.726 1.00 25.00 C ATOM 1199 C GLU A 79 -22.255 1.394 -9.504 1.00 25.00 C ATOM 1200 O GLU A 79 -21.729 2.511 -9.433 1.00 25.00 O ATOM 1201 CB GLU A 79 -22.222 1.075 -12.000 1.00 25.00 C ATOM 1202 CG GLU A 79 -21.069 0.083 -12.056 1.00 25.00 C ATOM 1203 CD GLU A 79 -20.410 -0.010 -13.425 1.00 25.00 C ATOM 1204 OE1 GLU A 79 -21.105 -0.377 -14.396 1.00 25.00 O ATOM 1205 OE2 GLU A 79 -19.201 0.288 -13.523 1.00 25.00 O ATOM 0 H GLU A 79 -24.248 2.487 -11.617 1.00 25.00 H new ATOM 0 HA GLU A 79 -23.402 -0.048 -10.589 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -22.863 0.917 -12.867 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -21.820 2.085 -12.081 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -20.318 0.370 -11.320 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -21.435 -0.903 -11.771 1.00 25.00 H new ATOM 1212 N VAL A 80 -22.166 0.471 -8.547 1.00 25.00 N ATOM 1213 CA VAL A 80 -21.325 0.643 -7.367 1.00 25.00 C ATOM 1214 C VAL A 80 -20.238 -0.426 -7.372 1.00 25.00 C ATOM 1215 O VAL A 80 -20.481 -1.586 -7.017 1.00 25.00 O ATOM 1216 CB VAL A 80 -22.130 0.612 -6.028 1.00 25.00 C ATOM 1217 CG1 VAL A 80 -21.194 0.786 -4.843 1.00 25.00 C ATOM 1218 CG2 VAL A 80 -23.230 1.674 -5.984 1.00 25.00 C ATOM 0 H VAL A 80 -22.674 -0.413 -8.569 1.00 25.00 H new ATOM 0 HA VAL A 80 -20.877 1.635 -7.420 1.00 25.00 H new ATOM 0 HB VAL A 80 -22.614 -0.363 -5.971 1.00 25.00 H new ATOM 0 HG11 VAL A 80 -21.770 0.762 -3.918 1.00 25.00 H new ATOM 0 HG12 VAL A 80 -20.462 -0.022 -4.836 1.00 25.00 H new ATOM 0 HG13 VAL A 80 -20.678 1.743 -4.924 1.00 25.00 H new ATOM 0 HG21 VAL A 80 -23.759 1.610 -5.033 1.00 25.00 H new ATOM 0 HG22 VAL A 80 -22.785 2.664 -6.086 1.00 25.00 H new ATOM 0 HG23 VAL A 80 -23.931 1.506 -6.802 1.00 25.00 H new ATOM 1228 N VAL A 81 -19.043 -0.022 -7.791 1.00 25.00 N ATOM 1229 CA VAL A 81 -17.949 -0.959 -8.008 1.00 25.00 C ATOM 1230 C VAL A 81 -17.051 -1.086 -6.753 1.00 25.00 C ATOM 1231 O VAL A 81 -16.596 -0.069 -6.219 1.00 25.00 O ATOM 1232 CB VAL A 81 -17.129 -0.590 -9.294 1.00 25.00 C ATOM 1233 CG1 VAL A 81 -15.901 -1.483 -9.480 1.00 25.00 C ATOM 1234 CG2 VAL A 81 -17.994 -0.597 -10.561 1.00 25.00 C ATOM 0 H VAL A 81 -18.808 0.951 -7.987 1.00 25.00 H new ATOM 0 HA VAL A 81 -18.384 -1.944 -8.181 1.00 25.00 H new ATOM 0 HB VAL A 81 -16.778 0.430 -9.136 1.00 25.00 H new ATOM 0 HG11 VAL A 81 -15.369 -1.186 -10.384 1.00 25.00 H new ATOM 0 HG12 VAL A 81 -15.241 -1.378 -8.619 1.00 25.00 H new ATOM 0 HG13 VAL A 81 -16.217 -2.522 -9.570 1.00 25.00 H new ATOM 0 HG21 VAL A 81 -17.380 -0.335 -11.422 1.00 25.00 H new ATOM 0 HG22 VAL A 81 -18.418 -1.590 -10.706 1.00 25.00 H new ATOM 0 HG23 VAL A 81 -18.799 0.130 -10.456 1.00 25.00 H new ATOM 1244 N PRO A 82 -16.790 -2.344 -6.259 1.00 25.00 N ATOM 1245 CA PRO A 82 -15.907 -2.584 -5.094 1.00 25.00 C ATOM 1246 C PRO A 82 -14.460 -2.179 -5.372 1.00 25.00 C ATOM 1247 O PRO A 82 -13.872 -2.577 -6.384 1.00 25.00 O ATOM 1248 CB PRO A 82 -16.018 -4.098 -4.863 1.00 25.00 C ATOM 1249 CG PRO A 82 -17.341 -4.457 -5.435 1.00 25.00 C ATOM 1250 CD PRO A 82 -17.339 -3.629 -6.759 1.00 25.00 C ATOM 0 HA PRO A 82 -16.202 -1.992 -4.228 1.00 25.00 H new ATOM 0 HB2 PRO A 82 -15.210 -4.637 -5.358 1.00 25.00 H new ATOM 0 HB3 PRO A 82 -15.962 -4.344 -3.803 1.00 25.00 H new ATOM 0 HG2 PRO A 82 -17.432 -5.527 -5.620 1.00 25.00 H new ATOM 0 HG3 PRO A 82 -18.163 -4.177 -4.776 1.00 25.00 H new ATOM 0 HD2 PRO A 82 -16.713 -4.078 -7.530 1.00 25.00 H new ATOM 0 HD3 PRO A 82 -18.337 -3.519 -7.183 1.00 25.00 H new ATOM 1258 N LYS A 83 -13.905 -1.385 -4.459 1.00 25.00 N ATOM 1259 CA LYS A 83 -12.601 -0.747 -4.671 1.00 25.00 C ATOM 1260 C LYS A 83 -11.437 -1.558 -4.068 1.00 25.00 C ATOM 1261 O LYS A 83 -11.624 -2.254 -3.066 1.00 25.00 O ATOM 1262 CB LYS A 83 -12.580 0.676 -4.086 1.00 25.00 C ATOM 1263 CG LYS A 83 -13.659 1.624 -4.636 1.00 25.00 C ATOM 1264 CD LYS A 83 -13.511 1.909 -6.130 1.00 25.00 C ATOM 1265 CE LYS A 83 -14.510 2.955 -6.625 1.00 25.00 C ATOM 1266 NZ LYS A 83 -14.291 3.302 -8.056 1.00 25.00 N ATOM 0 H LYS A 83 -14.337 -1.166 -3.561 1.00 25.00 H new ATOM 0 HA LYS A 83 -12.459 -0.704 -5.751 1.00 25.00 H new ATOM 0 HB2 LYS A 83 -12.695 0.609 -3.004 1.00 25.00 H new ATOM 0 HB3 LYS A 83 -11.601 1.116 -4.276 1.00 25.00 H new ATOM 0 HG2 LYS A 83 -14.642 1.190 -4.452 1.00 25.00 H new ATOM 0 HG3 LYS A 83 -13.619 2.565 -4.088 1.00 25.00 H new ATOM 0 HD2 LYS A 83 -12.497 2.254 -6.333 1.00 25.00 H new ATOM 0 HD3 LYS A 83 -13.651 0.984 -6.689 1.00 25.00 H new ATOM 0 HE2 LYS A 83 -15.524 2.578 -6.495 1.00 25.00 H new ATOM 0 HE3 LYS A 83 -14.424 3.855 -6.016 1.00 25.00 H new ATOM 0 HZ1 LYS A 83 -14.989 4.014 -8.351 1.00 25.00 H new ATOM 0 HZ2 LYS A 83 -13.332 3.686 -8.177 1.00 25.00 H new ATOM 0 HZ3 LYS A 83 -14.399 2.449 -8.641 1.00 25.00 H new ATOM 1335 N HIS A 87 -1.896 -0.579 1.074 1.00 25.00 N ATOM 1336 CA HIS A 87 -0.963 -0.922 2.155 1.00 25.00 C ATOM 1337 C HIS A 87 0.055 0.211 2.314 1.00 25.00 C ATOM 1338 O HIS A 87 0.919 0.399 1.456 1.00 25.00 O ATOM 1339 CB HIS A 87 -0.231 -2.245 1.849 1.00 25.00 C ATOM 1340 CG HIS A 87 -1.118 -3.445 1.701 1.00 25.00 C ATOM 1341 ND1 HIS A 87 -1.563 -4.188 2.775 1.00 25.00 N ATOM 1342 CD2 HIS A 87 -1.610 -4.056 0.596 1.00 25.00 C ATOM 1343 CE1 HIS A 87 -2.284 -5.206 2.337 1.00 25.00 C ATOM 1344 NE2 HIS A 87 -2.330 -5.145 1.020 1.00 25.00 N ATOM 0 HA HIS A 87 -1.524 -1.051 3.080 1.00 25.00 H new ATOM 0 HB2 HIS A 87 0.342 -2.121 0.930 1.00 25.00 H new ATOM 0 HB3 HIS A 87 0.485 -2.439 2.647 1.00 25.00 H new ATOM 0 HD2 HIS A 87 -1.463 -3.744 -0.428 1.00 25.00 H new ATOM 0 HE1 HIS A 87 -2.755 -5.959 2.952 1.00 25.00 H new ATOM 0 HE2 HIS A 87 -2.822 -5.802 0.414 1.00 25.00 H new ATOM 1353 N MET A 88 -0.028 0.947 3.426 1.00 25.00 N ATOM 1354 CA MET A 88 0.762 2.172 3.593 1.00 25.00 C ATOM 1355 C MET A 88 1.883 1.994 4.619 1.00 25.00 C ATOM 1356 O MET A 88 1.691 1.405 5.688 1.00 25.00 O ATOM 1357 CB MET A 88 -0.164 3.343 3.976 1.00 25.00 C ATOM 1358 CG MET A 88 0.520 4.714 4.067 1.00 25.00 C ATOM 1359 SD MET A 88 -0.474 5.905 4.983 1.00 25.00 S ATOM 1360 CE MET A 88 -1.788 6.233 3.814 1.00 25.00 C ATOM 0 H MET A 88 -0.629 0.719 4.218 1.00 25.00 H new ATOM 0 HA MET A 88 1.243 2.398 2.641 1.00 25.00 H new ATOM 0 HB2 MET A 88 -0.968 3.404 3.243 1.00 25.00 H new ATOM 0 HB3 MET A 88 -0.626 3.121 4.938 1.00 25.00 H new ATOM 0 HG2 MET A 88 1.490 4.604 4.551 1.00 25.00 H new ATOM 0 HG3 MET A 88 0.706 5.094 3.062 1.00 25.00 H new ATOM 0 HE1 MET A 88 -2.530 6.885 4.274 1.00 25.00 H new ATOM 0 HE2 MET A 88 -1.376 6.719 2.930 1.00 25.00 H new ATOM 0 HE3 MET A 88 -2.260 5.294 3.524 1.00 25.00 H new ATOM 1370 N PHE A 89 3.050 2.522 4.250 1.00 25.00 N ATOM 1371 CA PHE A 89 4.237 2.540 5.104 1.00 25.00 C ATOM 1372 C PHE A 89 4.624 3.997 5.381 1.00 25.00 C ATOM 1373 O PHE A 89 4.120 4.897 4.713 1.00 25.00 O ATOM 1374 CB PHE A 89 5.413 1.816 4.412 1.00 25.00 C ATOM 1375 CG PHE A 89 5.196 0.342 4.140 1.00 25.00 C ATOM 1376 CD1 PHE A 89 4.641 -0.079 2.937 1.00 25.00 C ATOM 1377 CD2 PHE A 89 5.552 -0.617 5.075 1.00 25.00 C ATOM 1378 CE1 PHE A 89 4.440 -1.420 2.675 1.00 25.00 C ATOM 1379 CE2 PHE A 89 5.354 -1.962 4.820 1.00 25.00 C ATOM 1380 CZ PHE A 89 4.795 -2.363 3.621 1.00 25.00 C ATOM 0 H PHE A 89 3.199 2.954 3.338 1.00 25.00 H new ATOM 0 HA PHE A 89 4.015 2.025 6.038 1.00 25.00 H new ATOM 0 HB2 PHE A 89 5.620 2.316 3.466 1.00 25.00 H new ATOM 0 HB3 PHE A 89 6.302 1.927 5.033 1.00 25.00 H new ATOM 0 HD1 PHE A 89 4.362 0.655 2.195 1.00 25.00 H new ATOM 0 HD2 PHE A 89 5.989 -0.311 6.014 1.00 25.00 H new ATOM 0 HE1 PHE A 89 4.007 -1.730 1.735 1.00 25.00 H new ATOM 0 HE2 PHE A 89 5.636 -2.699 5.558 1.00 25.00 H new ATOM 0 HZ PHE A 89 4.636 -3.413 3.424 1.00 25.00 H new ATOM 1390 N SER A 90 5.497 4.233 6.369 1.00 25.00 N ATOM 1391 CA SER A 90 6.012 5.583 6.637 1.00 25.00 C ATOM 1392 C SER A 90 7.526 5.627 6.443 1.00 25.00 C ATOM 1393 O SER A 90 8.230 4.659 6.735 1.00 25.00 O ATOM 1394 CB SER A 90 5.638 6.047 8.042 1.00 25.00 C ATOM 1395 OG SER A 90 4.232 6.139 8.191 1.00 25.00 O ATOM 0 H SER A 90 5.860 3.512 6.993 1.00 25.00 H new ATOM 0 HA SER A 90 5.550 6.266 5.924 1.00 25.00 H new ATOM 0 HB2 SER A 90 6.040 5.350 8.778 1.00 25.00 H new ATOM 0 HB3 SER A 90 6.092 7.018 8.241 1.00 25.00 H new ATOM 0 HG SER A 90 4.018 6.436 9.100 1.00 25.00 H new ATOM 1401 N PHE A 91 8.012 6.768 5.949 1.00 25.00 N ATOM 1402 CA PHE A 91 9.420 6.925 5.562 1.00 25.00 C ATOM 1403 C PHE A 91 10.056 8.167 6.196 1.00 25.00 C ATOM 1404 O PHE A 91 9.389 8.935 6.894 1.00 25.00 O ATOM 1405 CB PHE A 91 9.522 7.003 4.030 1.00 25.00 C ATOM 1406 CG PHE A 91 9.397 5.669 3.333 1.00 25.00 C ATOM 1407 CD1 PHE A 91 8.255 4.892 3.478 1.00 25.00 C ATOM 1408 CD2 PHE A 91 10.424 5.195 2.526 1.00 25.00 C ATOM 1409 CE1 PHE A 91 8.144 3.673 2.835 1.00 25.00 C ATOM 1410 CE2 PHE A 91 10.315 3.976 1.882 1.00 25.00 C ATOM 1411 CZ PHE A 91 9.173 3.216 2.036 1.00 25.00 C ATOM 0 H PHE A 91 7.447 7.605 5.806 1.00 25.00 H new ATOM 0 HA PHE A 91 9.969 6.058 5.929 1.00 25.00 H new ATOM 0 HB2 PHE A 91 8.743 7.669 3.659 1.00 25.00 H new ATOM 0 HB3 PHE A 91 10.479 7.452 3.763 1.00 25.00 H new ATOM 0 HD1 PHE A 91 7.445 5.244 4.100 1.00 25.00 H new ATOM 0 HD2 PHE A 91 11.319 5.786 2.400 1.00 25.00 H new ATOM 0 HE1 PHE A 91 7.251 3.078 2.958 1.00 25.00 H new ATOM 0 HE2 PHE A 91 11.122 3.619 1.259 1.00 25.00 H new ATOM 0 HZ PHE A 91 9.085 2.265 1.532 1.00 25.00 H new ATOM 1421 N ASN A 92 11.370 8.330 5.965 1.00 25.00 N ATOM 1422 CA ASN A 92 12.120 9.491 6.452 1.00 25.00 C ATOM 1423 C ASN A 92 12.827 10.218 5.290 1.00 25.00 C ATOM 1424 O ASN A 92 13.289 11.352 5.456 1.00 25.00 O ATOM 1425 CB ASN A 92 13.143 9.046 7.517 1.00 25.00 C ATOM 1426 CG ASN A 92 12.506 8.502 8.792 1.00 25.00 C ATOM 1427 OD1 ASN A 92 11.978 9.254 9.615 1.00 25.00 O ATOM 1428 ND2 ASN A 92 12.552 7.186 8.958 1.00 25.00 N ATOM 0 H ASN A 92 11.935 7.663 5.439 1.00 25.00 H new ATOM 0 HA ASN A 92 11.419 10.191 6.906 1.00 25.00 H new ATOM 0 HB2 ASN A 92 13.789 8.280 7.089 1.00 25.00 H new ATOM 0 HB3 ASN A 92 13.779 9.893 7.773 1.00 25.00 H new ATOM 0 HD21 ASN A 92 12.141 6.762 9.790 1.00 25.00 H new ATOM 0 HD22 ASN A 92 12.998 6.598 8.254 1.00 25.00 H new ATOM 1435 N ASN A 93 12.904 9.557 4.120 1.00 25.00 N ATOM 1436 CA ASN A 93 13.564 10.121 2.931 1.00 25.00 C ATOM 1437 C ASN A 93 12.815 9.728 1.654 1.00 25.00 C ATOM 1438 O ASN A 93 12.295 8.613 1.549 1.00 25.00 O ATOM 1439 CB ASN A 93 15.024 9.644 2.841 1.00 25.00 C ATOM 1440 CG ASN A 93 15.835 10.401 1.801 1.00 25.00 C ATOM 1441 OD1 ASN A 93 15.279 11.097 0.952 1.00 25.00 O ATOM 1442 ND2 ASN A 93 17.155 10.261 1.862 1.00 25.00 N ATOM 0 H ASN A 93 12.514 8.626 3.974 1.00 25.00 H new ATOM 0 HA ASN A 93 13.551 11.207 3.028 1.00 25.00 H new ATOM 0 HB2 ASN A 93 15.498 9.758 3.816 1.00 25.00 H new ATOM 0 HB3 ASN A 93 15.039 8.581 2.601 1.00 25.00 H new ATOM 0 HD21 ASN A 93 17.751 10.741 1.187 1.00 25.00 H new ATOM 0 HD22 ASN A 93 17.573 9.673 2.584 1.00 25.00 H new ATOM 1449 N ARG A 94 12.769 10.661 0.686 1.00 25.00 N ATOM 1450 CA ARG A 94 12.079 10.441 -0.600 1.00 25.00 C ATOM 1451 C ARG A 94 12.927 9.641 -1.592 1.00 25.00 C ATOM 1452 O ARG A 94 12.396 9.084 -2.558 1.00 25.00 O ATOM 1453 CB ARG A 94 11.681 11.774 -1.247 1.00 25.00 C ATOM 1454 CG ARG A 94 10.399 12.388 -0.692 1.00 25.00 C ATOM 1455 CD ARG A 94 10.605 13.051 0.664 1.00 25.00 C ATOM 1456 NE ARG A 94 9.415 13.786 1.119 1.00 25.00 N ATOM 1457 CZ ARG A 94 9.445 14.922 1.832 1.00 25.00 C ATOM 1458 NH1 ARG A 94 10.598 15.487 2.184 1.00 25.00 N ATOM 1459 NH2 ARG A 94 8.306 15.496 2.195 1.00 25.00 N ATOM 0 H ARG A 94 13.204 11.580 0.770 1.00 25.00 H new ATOM 0 HA ARG A 94 11.186 9.861 -0.368 1.00 25.00 H new ATOM 0 HB2 ARG A 94 12.496 12.485 -1.115 1.00 25.00 H new ATOM 0 HB3 ARG A 94 11.561 11.622 -2.320 1.00 25.00 H new ATOM 0 HG2 ARG A 94 10.019 13.126 -1.399 1.00 25.00 H new ATOM 0 HG3 ARG A 94 9.639 11.612 -0.601 1.00 25.00 H new ATOM 0 HD2 ARG A 94 10.862 12.290 1.401 1.00 25.00 H new ATOM 0 HD3 ARG A 94 11.451 13.736 0.605 1.00 25.00 H new ATOM 0 HE ARG A 94 8.501 13.405 0.875 1.00 25.00 H new ATOM 0 HH11 ARG A 94 11.481 15.056 1.911 1.00 25.00 H new ATOM 0 HH12 ARG A 94 10.598 16.351 2.726 1.00 25.00 H new ATOM 0 HH21 ARG A 94 7.416 15.074 1.932 1.00 25.00 H new ATOM 0 HH22 ARG A 94 8.320 16.360 2.737 1.00 25.00 H new ATOM 1473 N THR A 95 14.244 9.591 -1.351 1.00 25.00 N ATOM 1474 CA THR A 95 15.177 8.883 -2.235 1.00 25.00 C ATOM 1475 C THR A 95 15.119 7.362 -1.998 1.00 25.00 C ATOM 1476 O THR A 95 15.540 6.583 -2.857 1.00 25.00 O ATOM 1477 CB THR A 95 16.629 9.398 -2.043 1.00 25.00 C ATOM 1478 OG1 THR A 95 17.069 9.130 -0.705 1.00 25.00 O ATOM 1479 CG2 THR A 95 16.739 10.903 -2.300 1.00 25.00 C ATOM 0 H THR A 95 14.688 10.035 -0.547 1.00 25.00 H new ATOM 0 HA THR A 95 14.872 9.085 -3.262 1.00 25.00 H new ATOM 0 HB THR A 95 17.256 8.875 -2.765 1.00 25.00 H new ATOM 0 HG1 THR A 95 17.986 9.456 -0.591 1.00 25.00 H new ATOM 0 HG21 THR A 95 17.771 11.222 -2.155 1.00 25.00 H new ATOM 0 HG22 THR A 95 16.432 11.121 -3.323 1.00 25.00 H new ATOM 0 HG23 THR A 95 16.092 11.439 -1.605 1.00 25.00 H new ATOM 1487 N VAL A 96 14.594 6.953 -0.830 1.00 25.00 N ATOM 1488 CA VAL A 96 14.376 5.532 -0.530 1.00 25.00 C ATOM 1489 C VAL A 96 13.063 5.070 -1.181 1.00 25.00 C ATOM 1490 O VAL A 96 13.094 4.234 -2.076 1.00 25.00 O ATOM 1491 CB VAL A 96 14.353 5.228 1.007 1.00 25.00 C ATOM 1492 CG1 VAL A 96 14.107 3.742 1.277 1.00 25.00 C ATOM 1493 CG2 VAL A 96 15.652 5.659 1.685 1.00 25.00 C ATOM 0 H VAL A 96 14.314 7.587 -0.081 1.00 25.00 H new ATOM 0 HA VAL A 96 15.219 4.979 -0.943 1.00 25.00 H new ATOM 0 HB VAL A 96 13.530 5.806 1.428 1.00 25.00 H new ATOM 0 HG11 VAL A 96 14.097 3.564 2.352 1.00 25.00 H new ATOM 0 HG12 VAL A 96 13.147 3.449 0.852 1.00 25.00 H new ATOM 0 HG13 VAL A 96 14.902 3.153 0.819 1.00 25.00 H new ATOM 0 HG21 VAL A 96 15.599 5.432 2.750 1.00 25.00 H new ATOM 0 HG22 VAL A 96 16.490 5.122 1.241 1.00 25.00 H new ATOM 0 HG23 VAL A 96 15.795 6.731 1.549 1.00 25.00 H new ATOM 1503 N MET A 97 11.922 5.670 -0.766 1.00 25.00 N ATOM 1504 CA MET A 97 10.576 5.300 -1.277 1.00 25.00 C ATOM 1505 C MET A 97 10.523 5.202 -2.810 1.00 25.00 C ATOM 1506 O MET A 97 9.886 4.298 -3.352 1.00 25.00 O ATOM 1507 CB MET A 97 9.500 6.294 -0.782 1.00 25.00 C ATOM 1508 CG MET A 97 9.633 7.707 -1.328 1.00 25.00 C ATOM 1509 SD MET A 97 8.328 8.825 -0.764 1.00 25.00 S ATOM 1510 CE MET A 97 8.774 9.084 0.952 1.00 25.00 C ATOM 0 H MET A 97 11.906 6.418 -0.073 1.00 25.00 H new ATOM 0 HA MET A 97 10.366 4.308 -0.877 1.00 25.00 H new ATOM 0 HB2 MET A 97 8.517 5.907 -1.052 1.00 25.00 H new ATOM 0 HB3 MET A 97 9.538 6.336 0.307 1.00 25.00 H new ATOM 0 HG2 MET A 97 10.601 8.113 -1.032 1.00 25.00 H new ATOM 0 HG3 MET A 97 9.622 7.669 -2.417 1.00 25.00 H new ATOM 0 HE1 MET A 97 7.947 8.779 1.593 1.00 25.00 H new ATOM 0 HE2 MET A 97 9.657 8.491 1.192 1.00 25.00 H new ATOM 0 HE3 MET A 97 8.990 10.140 1.116 1.00 25.00 H new ATOM 1520 N ASP A 98 11.202 6.138 -3.489 1.00 25.00 N ATOM 1521 CA ASP A 98 11.281 6.139 -4.956 1.00 25.00 C ATOM 1522 C ASP A 98 12.151 4.987 -5.480 1.00 25.00 C ATOM 1523 O ASP A 98 11.968 4.549 -6.612 1.00 25.00 O ATOM 1524 CB ASP A 98 11.840 7.486 -5.446 1.00 25.00 C ATOM 1525 CG ASP A 98 10.813 8.605 -5.408 1.00 25.00 C ATOM 1526 OD1 ASP A 98 9.618 8.309 -5.202 1.00 25.00 O ATOM 1527 OD2 ASP A 98 11.206 9.779 -5.582 1.00 25.00 O ATOM 0 H ASP A 98 11.705 6.905 -3.044 1.00 25.00 H new ATOM 0 HA ASP A 98 10.273 5.996 -5.346 1.00 25.00 H new ATOM 0 HB2 ASP A 98 12.695 7.764 -4.830 1.00 25.00 H new ATOM 0 HB3 ASP A 98 12.206 7.371 -6.466 1.00 25.00 H new ATOM 1532 N ASN A 99 13.083 4.514 -4.647 1.00 25.00 N ATOM 1533 CA ASN A 99 13.964 3.389 -4.992 1.00 25.00 C ATOM 1534 C ASN A 99 13.332 2.031 -4.643 1.00 25.00 C ATOM 1535 O ASN A 99 13.573 1.044 -5.343 1.00 25.00 O ATOM 1536 CB ASN A 99 15.315 3.550 -4.277 1.00 25.00 C ATOM 1537 CG ASN A 99 16.436 4.058 -5.182 1.00 25.00 C ATOM 1538 OD1 ASN A 99 17.032 3.285 -5.933 1.00 25.00 O ATOM 1539 ND2 ASN A 99 16.745 5.353 -5.106 1.00 25.00 N ATOM 0 H ASN A 99 13.249 4.897 -3.717 1.00 25.00 H new ATOM 0 HA ASN A 99 14.117 3.404 -6.071 1.00 25.00 H new ATOM 0 HB2 ASN A 99 15.194 4.241 -3.442 1.00 25.00 H new ATOM 0 HB3 ASN A 99 15.609 2.589 -3.855 1.00 25.00 H new ATOM 0 HD21 ASN A 99 17.497 5.733 -5.682 1.00 25.00 H new ATOM 0 HD22 ASN A 99 16.230 5.964 -4.472 1.00 25.00 H new ATOM 1546 N ILE A 100 12.525 1.982 -3.559 1.00 25.00 N ATOM 1547 CA ILE A 100 11.747 0.773 -3.214 1.00 25.00 C ATOM 1548 C ILE A 100 10.623 0.591 -4.254 1.00 25.00 C ATOM 1549 O ILE A 100 10.511 -0.469 -4.871 1.00 25.00 O ATOM 1550 CB ILE A 100 11.143 0.835 -1.754 1.00 25.00 C ATOM 1551 CG1 ILE A 100 12.240 0.899 -0.650 1.00 25.00 C ATOM 1552 CG2 ILE A 100 10.197 -0.342 -1.463 1.00 25.00 C ATOM 1553 CD1 ILE A 100 13.289 -0.209 -0.658 1.00 25.00 C ATOM 0 H ILE A 100 12.397 2.761 -2.913 1.00 25.00 H new ATOM 0 HA ILE A 100 12.423 -0.082 -3.232 1.00 25.00 H new ATOM 0 HB ILE A 100 10.571 1.762 -1.723 1.00 25.00 H new ATOM 0 HG12 ILE A 100 12.755 1.855 -0.738 1.00 25.00 H new ATOM 0 HG13 ILE A 100 11.745 0.892 0.321 1.00 25.00 H new ATOM 0 HG21 ILE A 100 9.808 -0.254 -0.448 1.00 25.00 H new ATOM 0 HG22 ILE A 100 9.369 -0.327 -2.171 1.00 25.00 H new ATOM 0 HG23 ILE A 100 10.742 -1.280 -1.563 1.00 25.00 H new ATOM 0 HD11 ILE A 100 13.993 -0.049 0.159 1.00 25.00 H new ATOM 0 HD12 ILE A 100 12.799 -1.175 -0.531 1.00 25.00 H new ATOM 0 HD13 ILE A 100 13.825 -0.196 -1.607 1.00 25.00 H new ATOM 1565 N LYS A 101 9.821 1.659 -4.451 1.00 25.00 N ATOM 1566 CA LYS A 101 8.758 1.713 -5.470 1.00 25.00 C ATOM 1567 C LYS A 101 9.282 1.352 -6.865 1.00 25.00 C ATOM 1568 O LYS A 101 8.636 0.605 -7.586 1.00 25.00 O ATOM 1569 CB LYS A 101 8.136 3.112 -5.473 1.00 25.00 C ATOM 1570 CG LYS A 101 6.993 3.287 -6.471 1.00 25.00 C ATOM 1571 CD LYS A 101 6.551 4.744 -6.595 1.00 25.00 C ATOM 1572 CE LYS A 101 5.534 4.973 -7.713 1.00 25.00 C ATOM 1573 NZ LYS A 101 5.146 6.406 -7.847 1.00 25.00 N ATOM 0 H LYS A 101 9.896 2.514 -3.901 1.00 25.00 H new ATOM 0 HA LYS A 101 8.000 0.972 -5.216 1.00 25.00 H new ATOM 0 HB2 LYS A 101 7.767 3.335 -4.472 1.00 25.00 H new ATOM 0 HB3 LYS A 101 8.913 3.843 -5.696 1.00 25.00 H new ATOM 0 HG2 LYS A 101 7.307 2.920 -7.448 1.00 25.00 H new ATOM 0 HG3 LYS A 101 6.145 2.677 -6.159 1.00 25.00 H new ATOM 0 HD2 LYS A 101 6.119 5.067 -5.648 1.00 25.00 H new ATOM 0 HD3 LYS A 101 7.426 5.368 -6.776 1.00 25.00 H new ATOM 0 HE2 LYS A 101 5.952 4.623 -8.657 1.00 25.00 H new ATOM 0 HE3 LYS A 101 4.643 4.376 -7.518 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 4.455 6.508 -8.618 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 4.722 6.736 -6.956 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 5.990 6.976 -8.060 1.00 25.00 H new ATOM 1587 N MET A 102 10.466 1.874 -7.212 1.00 25.00 N ATOM 1588 CA MET A 102 11.145 1.566 -8.487 1.00 25.00 C ATOM 1589 C MET A 102 11.272 0.046 -8.715 1.00 25.00 C ATOM 1590 O MET A 102 10.836 -0.455 -9.752 1.00 25.00 O ATOM 1591 CB MET A 102 12.526 2.241 -8.486 1.00 25.00 C ATOM 1592 CG MET A 102 13.373 2.020 -9.738 1.00 25.00 C ATOM 1593 SD MET A 102 15.101 2.508 -9.526 1.00 25.00 S ATOM 1594 CE MET A 102 15.761 1.119 -8.602 1.00 25.00 C ATOM 0 H MET A 102 10.984 2.523 -6.619 1.00 25.00 H new ATOM 0 HA MET A 102 10.546 1.955 -9.310 1.00 25.00 H new ATOM 0 HB2 MET A 102 12.386 3.313 -8.349 1.00 25.00 H new ATOM 0 HB3 MET A 102 13.086 1.880 -7.623 1.00 25.00 H new ATOM 0 HG2 MET A 102 13.331 0.967 -10.015 1.00 25.00 H new ATOM 0 HG3 MET A 102 12.942 2.585 -10.565 1.00 25.00 H new ATOM 0 HE1 MET A 102 16.837 1.243 -8.478 1.00 25.00 H new ATOM 0 HE2 MET A 102 15.286 1.075 -7.622 1.00 25.00 H new ATOM 0 HE3 MET A 102 15.562 0.194 -9.144 1.00 25.00 H new ATOM 1604 N THR A 103 11.859 -0.672 -7.739 1.00 25.00 N ATOM 1605 CA THR A 103 11.972 -2.138 -7.803 1.00 25.00 C ATOM 1606 C THR A 103 10.573 -2.771 -7.884 1.00 25.00 C ATOM 1607 O THR A 103 10.272 -3.455 -8.857 1.00 25.00 O ATOM 1608 CB THR A 103 12.759 -2.704 -6.587 1.00 25.00 C ATOM 1609 OG1 THR A 103 13.981 -1.973 -6.418 1.00 25.00 O ATOM 1610 CG2 THR A 103 13.093 -4.191 -6.756 1.00 25.00 C ATOM 0 H THR A 103 12.262 -0.259 -6.898 1.00 25.00 H new ATOM 0 HA THR A 103 12.531 -2.395 -8.703 1.00 25.00 H new ATOM 0 HB THR A 103 12.120 -2.595 -5.710 1.00 25.00 H new ATOM 0 HG1 THR A 103 13.795 -1.127 -5.960 1.00 25.00 H new ATOM 0 HG21 THR A 103 13.643 -4.542 -5.883 1.00 25.00 H new ATOM 0 HG22 THR A 103 12.170 -4.762 -6.858 1.00 25.00 H new ATOM 0 HG23 THR A 103 13.704 -4.328 -7.648 1.00 25.00 H new ATOM 1618 N LEU A 104 9.717 -2.470 -6.882 1.00 25.00 N ATOM 1619 CA LEU A 104 8.308 -2.911 -6.835 1.00 25.00 C ATOM 1620 C LEU A 104 7.634 -2.748 -8.203 1.00 25.00 C ATOM 1621 O LEU A 104 7.202 -3.720 -8.807 1.00 25.00 O ATOM 1622 CB LEU A 104 7.542 -2.062 -5.791 1.00 25.00 C ATOM 1623 CG LEU A 104 7.973 -2.205 -4.324 1.00 25.00 C ATOM 1624 CD1 LEU A 104 7.188 -1.251 -3.434 1.00 25.00 C ATOM 1625 CD2 LEU A 104 7.773 -3.616 -3.809 1.00 25.00 C ATOM 0 H LEU A 104 9.990 -1.908 -6.076 1.00 25.00 H new ATOM 0 HA LEU A 104 8.286 -3.965 -6.559 1.00 25.00 H new ATOM 0 HB2 LEU A 104 7.638 -1.013 -6.071 1.00 25.00 H new ATOM 0 HB3 LEU A 104 6.484 -2.315 -5.859 1.00 25.00 H new ATOM 0 HG LEU A 104 9.035 -1.963 -4.289 1.00 25.00 H new ATOM 0 HD11 LEU A 104 7.510 -1.370 -2.400 1.00 25.00 H new ATOM 0 HD12 LEU A 104 7.367 -0.225 -3.754 1.00 25.00 H new ATOM 0 HD13 LEU A 104 6.124 -1.474 -3.511 1.00 25.00 H new ATOM 0 HD21 LEU A 104 8.091 -3.672 -2.768 1.00 25.00 H new ATOM 0 HD22 LEU A 104 6.719 -3.884 -3.882 1.00 25.00 H new ATOM 0 HD23 LEU A 104 8.365 -4.309 -4.407 1.00 25.00 H new ATOM 1637 N GLN A 105 7.630 -1.501 -8.692 1.00 25.00 N ATOM 1638 CA GLN A 105 7.071 -1.129 -10.014 1.00 25.00 C ATOM 1639 C GLN A 105 7.585 -2.015 -11.161 1.00 25.00 C ATOM 1640 O GLN A 105 6.861 -2.277 -12.125 1.00 25.00 O ATOM 1641 CB GLN A 105 7.422 0.335 -10.325 1.00 25.00 C ATOM 1642 CG GLN A 105 6.697 0.904 -11.536 1.00 25.00 C ATOM 1643 CD GLN A 105 7.001 2.374 -11.760 1.00 25.00 C ATOM 1644 OE1 GLN A 105 7.762 2.983 -11.004 1.00 25.00 O ATOM 1645 NE2 GLN A 105 6.408 2.954 -12.799 1.00 25.00 N ATOM 0 H GLN A 105 8.017 -0.708 -8.181 1.00 25.00 H new ATOM 0 HA GLN A 105 5.992 -1.273 -9.949 1.00 25.00 H new ATOM 0 HB2 GLN A 105 7.187 0.947 -9.454 1.00 25.00 H new ATOM 0 HB3 GLN A 105 8.497 0.413 -10.489 1.00 25.00 H new ATOM 0 HG2 GLN A 105 6.981 0.339 -12.424 1.00 25.00 H new ATOM 0 HG3 GLN A 105 5.623 0.775 -11.406 1.00 25.00 H new ATOM 0 HE21 GLN A 105 5.786 2.412 -13.399 1.00 25.00 H new ATOM 0 HE22 GLN A 105 6.575 3.941 -12.996 1.00 25.00 H new ATOM 1654 N GLN A 106 8.836 -2.468 -11.034 1.00 25.00 N ATOM 1655 CA GLN A 106 9.478 -3.330 -12.034 1.00 25.00 C ATOM 1656 C GLN A 106 9.076 -4.800 -11.840 1.00 25.00 C ATOM 1657 O GLN A 106 9.190 -5.608 -12.764 1.00 25.00 O ATOM 1658 CB GLN A 106 11.007 -3.165 -11.951 1.00 25.00 C ATOM 1659 CG GLN A 106 11.525 -1.858 -12.553 1.00 25.00 C ATOM 1660 CD GLN A 106 13.036 -1.722 -12.474 1.00 25.00 C ATOM 1661 OE1 GLN A 106 13.732 -2.643 -12.047 1.00 25.00 O ATOM 1662 NE2 GLN A 106 13.550 -0.569 -12.890 1.00 25.00 N ATOM 0 H GLN A 106 9.433 -2.248 -10.236 1.00 25.00 H new ATOM 0 HA GLN A 106 9.140 -3.028 -13.025 1.00 25.00 H new ATOM 0 HB2 GLN A 106 11.312 -3.218 -10.906 1.00 25.00 H new ATOM 0 HB3 GLN A 106 11.481 -4.002 -12.464 1.00 25.00 H new ATOM 0 HG2 GLN A 106 11.215 -1.798 -13.596 1.00 25.00 H new ATOM 0 HG3 GLN A 106 11.063 -1.018 -12.034 1.00 25.00 H new ATOM 0 HE21 GLN A 106 12.936 0.168 -13.237 1.00 25.00 H new ATOM 0 HE22 GLN A 106 14.559 -0.421 -12.863 1.00 25.00 H new ATOM 1671 N ILE A 107 8.603 -5.125 -10.626 1.00 25.00 N ATOM 1672 CA ILE A 107 8.123 -6.470 -10.280 1.00 25.00 C ATOM 1673 C ILE A 107 6.648 -6.677 -10.703 1.00 25.00 C ATOM 1674 O ILE A 107 6.299 -7.749 -11.205 1.00 25.00 O ATOM 1675 CB ILE A 107 8.300 -6.743 -8.743 1.00 25.00 C ATOM 1676 CG1 ILE A 107 9.810 -6.790 -8.377 1.00 25.00 C ATOM 1677 CG2 ILE A 107 7.588 -8.033 -8.321 1.00 25.00 C ATOM 1678 CD1 ILE A 107 10.141 -6.758 -6.886 1.00 25.00 C ATOM 0 H ILE A 107 8.543 -4.459 -9.855 1.00 25.00 H new ATOM 0 HA ILE A 107 8.729 -7.187 -10.834 1.00 25.00 H new ATOM 0 HB ILE A 107 7.837 -5.923 -8.194 1.00 25.00 H new ATOM 0 HG12 ILE A 107 10.239 -7.697 -8.804 1.00 25.00 H new ATOM 0 HG13 ILE A 107 10.306 -5.946 -8.857 1.00 25.00 H new ATOM 0 HG21 ILE A 107 7.729 -8.194 -7.252 1.00 25.00 H new ATOM 0 HG22 ILE A 107 6.523 -7.948 -8.538 1.00 25.00 H new ATOM 0 HG23 ILE A 107 8.005 -8.876 -8.873 1.00 25.00 H new ATOM 0 HD11 ILE A 107 11.222 -6.796 -6.752 1.00 25.00 H new ATOM 0 HD12 ILE A 107 9.753 -5.839 -6.447 1.00 25.00 H new ATOM 0 HD13 ILE A 107 9.685 -7.617 -6.393 1.00 25.00 H new ATOM 1690 N ILE A 108 5.791 -5.659 -10.496 1.00 25.00 N ATOM 1691 CA ILE A 108 4.350 -5.760 -10.834 1.00 25.00 C ATOM 1692 C ILE A 108 4.148 -5.791 -12.353 1.00 25.00 C ATOM 1693 O ILE A 108 3.256 -6.479 -12.851 1.00 25.00 O ATOM 1694 CB ILE A 108 3.511 -4.597 -10.215 1.00 25.00 C ATOM 1695 CG1 ILE A 108 3.570 -4.675 -8.687 1.00 25.00 C ATOM 1696 CG2 ILE A 108 2.045 -4.666 -10.674 1.00 25.00 C ATOM 1697 CD1 ILE A 108 3.245 -3.382 -7.975 1.00 25.00 C ATOM 0 H ILE A 108 6.065 -4.760 -10.099 1.00 25.00 H new ATOM 0 HA ILE A 108 3.993 -6.695 -10.401 1.00 25.00 H new ATOM 0 HB ILE A 108 3.935 -3.653 -10.556 1.00 25.00 H new ATOM 0 HG12 ILE A 108 2.876 -5.444 -8.349 1.00 25.00 H new ATOM 0 HG13 ILE A 108 4.569 -4.995 -8.392 1.00 25.00 H new ATOM 0 HG21 ILE A 108 1.485 -3.844 -10.228 1.00 25.00 H new ATOM 0 HG22 ILE A 108 2.000 -4.588 -11.760 1.00 25.00 H new ATOM 0 HG23 ILE A 108 1.610 -5.615 -10.360 1.00 25.00 H new ATOM 0 HD11 ILE A 108 3.312 -3.533 -6.898 1.00 25.00 H new ATOM 0 HD12 ILE A 108 3.954 -2.612 -8.278 1.00 25.00 H new ATOM 0 HD13 ILE A 108 2.234 -3.068 -8.235 1.00 25.00 H new ATOM 1709 N SER A 109 4.991 -5.041 -13.066 1.00 25.00 N ATOM 1710 CA SER A 109 4.997 -5.027 -14.541 1.00 25.00 C ATOM 1711 C SER A 109 5.380 -6.402 -15.124 1.00 25.00 C ATOM 1712 O SER A 109 5.116 -6.680 -16.298 1.00 25.00 O ATOM 1713 CB SER A 109 5.953 -3.944 -15.055 1.00 25.00 C ATOM 1714 OG SER A 109 7.301 -4.242 -14.730 1.00 25.00 O ATOM 0 H SER A 109 5.688 -4.427 -12.645 1.00 25.00 H new ATOM 0 HA SER A 109 3.985 -4.800 -14.875 1.00 25.00 H new ATOM 0 HB2 SER A 109 5.851 -3.851 -16.136 1.00 25.00 H new ATOM 0 HB3 SER A 109 5.678 -2.981 -14.624 1.00 25.00 H new ATOM 0 HG SER A 109 7.325 -4.892 -13.997 1.00 25.00 H new ATOM 1720 N ARG A 110 6.002 -7.252 -14.286 1.00 25.00 N ATOM 1721 CA ARG A 110 6.301 -8.650 -14.647 1.00 25.00 C ATOM 1722 C ARG A 110 5.040 -9.518 -14.547 1.00 25.00 C ATOM 1723 O ARG A 110 4.803 -10.381 -15.398 1.00 25.00 O ATOM 1724 CB ARG A 110 7.395 -9.235 -13.736 1.00 25.00 C ATOM 1725 CG ARG A 110 8.785 -8.659 -13.963 1.00 25.00 C ATOM 1726 CD ARG A 110 9.789 -9.215 -12.965 1.00 25.00 C ATOM 1727 NE ARG A 110 11.144 -8.703 -13.206 1.00 25.00 N ATOM 1728 CZ ARG A 110 12.169 -8.819 -12.348 1.00 25.00 C ATOM 1729 NH1 ARG A 110 12.019 -9.425 -11.171 1.00 25.00 N ATOM 1730 NH2 ARG A 110 13.353 -8.320 -12.673 1.00 25.00 N ATOM 0 H ARG A 110 6.309 -6.992 -13.349 1.00 25.00 H new ATOM 0 HA ARG A 110 6.659 -8.653 -15.676 1.00 25.00 H new ATOM 0 HB2 ARG A 110 7.112 -9.067 -12.697 1.00 25.00 H new ATOM 0 HB3 ARG A 110 7.435 -10.314 -13.885 1.00 25.00 H new ATOM 0 HG2 ARG A 110 9.114 -8.888 -14.977 1.00 25.00 H new ATOM 0 HG3 ARG A 110 8.748 -7.573 -13.877 1.00 25.00 H new ATOM 0 HD2 ARG A 110 9.477 -8.954 -11.954 1.00 25.00 H new ATOM 0 HD3 ARG A 110 9.796 -10.303 -13.026 1.00 25.00 H new ATOM 0 HE ARG A 110 11.319 -8.224 -14.090 1.00 25.00 H new ATOM 0 HH11 ARG A 110 11.112 -9.811 -10.908 1.00 25.00 H new ATOM 0 HH12 ARG A 110 12.811 -9.503 -10.533 1.00 25.00 H new ATOM 0 HH21 ARG A 110 13.480 -7.852 -13.570 1.00 25.00 H new ATOM 0 HH22 ARG A 110 14.137 -8.404 -12.026 1.00 25.00 H new ATOM 1744 N TYR A 111 4.239 -9.277 -13.494 1.00 25.00 N ATOM 1745 CA TYR A 111 2.952 -9.965 -13.298 1.00 25.00 C ATOM 1746 C TYR A 111 1.818 -9.250 -14.045 1.00 25.00 C ATOM 1747 O TYR A 111 0.664 -9.694 -14.025 1.00 25.00 O ATOM 1748 CB TYR A 111 2.627 -10.065 -11.804 1.00 25.00 C ATOM 1749 CG TYR A 111 3.719 -10.742 -11.004 1.00 25.00 C ATOM 1750 CD1 TYR A 111 4.580 -10.000 -10.197 1.00 25.00 C ATOM 1751 CD2 TYR A 111 3.880 -12.121 -11.041 1.00 25.00 C ATOM 1752 CE1 TYR A 111 5.563 -10.615 -9.454 1.00 25.00 C ATOM 1753 CE2 TYR A 111 4.866 -12.739 -10.301 1.00 25.00 C ATOM 1754 CZ TYR A 111 5.703 -11.980 -9.511 1.00 25.00 C ATOM 1755 OH TYR A 111 6.678 -12.598 -8.765 1.00 25.00 O ATOM 0 H TYR A 111 4.464 -8.605 -12.760 1.00 25.00 H new ATOM 0 HA TYR A 111 3.041 -10.970 -13.709 1.00 25.00 H new ATOM 0 HB2 TYR A 111 2.461 -9.064 -11.406 1.00 25.00 H new ATOM 0 HB3 TYR A 111 1.696 -10.617 -11.677 1.00 25.00 H new ATOM 0 HD1 TYR A 111 4.475 -8.926 -10.154 1.00 25.00 H new ATOM 0 HD2 TYR A 111 3.224 -12.717 -11.658 1.00 25.00 H new ATOM 0 HE1 TYR A 111 6.220 -10.027 -8.830 1.00 25.00 H new ATOM 0 HE2 TYR A 111 4.982 -13.812 -10.340 1.00 25.00 H new ATOM 0 HH TYR A 111 7.087 -13.316 -9.292 1.00 25.00 H new ATOM 1765 N LYS A 112 2.175 -8.147 -14.713 1.00 25.00 N ATOM 1766 CA LYS A 112 1.239 -7.343 -15.494 1.00 25.00 C ATOM 1767 C LYS A 112 1.205 -7.829 -16.950 1.00 25.00 C ATOM 1768 O LYS A 112 0.182 -7.718 -17.631 1.00 25.00 O ATOM 1769 CB LYS A 112 1.674 -5.876 -15.428 1.00 25.00 C ATOM 1770 CG LYS A 112 0.698 -4.897 -16.078 1.00 25.00 C ATOM 1771 CD LYS A 112 -0.607 -4.721 -15.275 1.00 25.00 C ATOM 1772 CE LYS A 112 -1.568 -3.682 -15.873 1.00 25.00 C ATOM 1773 NZ LYS A 112 -2.733 -3.399 -14.988 1.00 25.00 N ATOM 0 H LYS A 112 3.130 -7.788 -14.724 1.00 25.00 H new ATOM 0 HA LYS A 112 0.235 -7.444 -15.082 1.00 25.00 H new ATOM 0 HB2 LYS A 112 1.808 -5.596 -14.383 1.00 25.00 H new ATOM 0 HB3 LYS A 112 2.646 -5.776 -15.912 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.184 -3.927 -16.187 1.00 25.00 H new ATOM 0 HG3 LYS A 112 0.456 -5.247 -17.081 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -1.118 -5.682 -15.215 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -0.358 -4.427 -14.255 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -1.025 -2.755 -16.059 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -1.928 -4.039 -16.838 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -3.348 -2.692 -15.439 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -3.270 -4.275 -14.830 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -2.395 -3.031 -14.076 1.00 25.00 H new