USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 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 59 MET CE :methyl 156:sc= -0.0275 (180deg=-0.89) USER MOD Set 1.2: A 88 MET CE :methyl 177:sc= -2.12! (180deg=-2.23!) USER MOD Set 2.1: A 58 MET CE :methyl 175:sc= -2.86! (180deg=-2.48) USER MOD Set 2.2: A 97 MET CE :methyl 175:sc= -3.75! (180deg=-4.34!) USER MOD Set 3.1: A 38 HIS : no HE2:sc= -2.28 K(o=-3,f=-4) USER MOD Set 3.2: A 87 HIS : no HD1:sc= -0.75 X(o=-3,f=-2.9) USER MOD Single : A 3 HIS : no HE2:sc= -0.693 K(o=-0.69,f=-1.3) USER MOD Single : A 4 SER OG : rot 21:sc= 0.192 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 27:sc= 0.082 USER MOD Single : A 19 ASN : amide:sc= -0.329 K(o=-0.33,f=-2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -76:sc= 1.93 USER MOD Single : A 32 THR OG1 : rot -71:sc= -0.586 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 60:sc= 0.22 USER MOD Single : A 44 THR OG1 : rot -55:sc= 0.215 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.93 K(o=-1.9,f=-3.3!) USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= 0.961 (180deg=-1.91!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.015) USER MOD Single : A 78 ASN : amide:sc= -0.0287 K(o=-0.029,f=-1.1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0827 K(o=-0.083,f=-2.8!) USER MOD Single : A 93 ASN : amide:sc= -0.0609 X(o=-0.061,f=-0.41) USER MOD Single : A 95 THR OG1 : rot 92:sc= 0.119 USER MOD Single : A 99 ASN : amide:sc= 1.11 K(o=1.1,f=-0.085) USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.13) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 111:sc= 1.28 USER MOD Single : A 105 GLN : amide:sc= -1.96 K(o=-2,f=-0.63) USER MOD Single : A 106 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.72) USER MOD Single : A 109 SER OG : rot 76:sc= 0.737 USER MOD Single : A 111 TYR OH : rot 40:sc= -2.31 USER MOD Single : A 112 LYS NZ :NH3+ -166:sc= -0.221 (180deg=-0.472) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -8.335 10.658 7.628 1.00 0.00 N ATOM 29 CA HIS A 3 -7.477 9.481 7.723 1.00 0.00 C ATOM 30 C HIS A 3 -8.305 8.201 7.676 1.00 0.00 C ATOM 31 O HIS A 3 -8.117 7.297 8.492 1.00 0.00 O ATOM 32 CB HIS A 3 -6.651 9.530 9.011 1.00 0.00 C ATOM 33 CG HIS A 3 -7.475 9.441 10.257 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.552 10.266 10.510 1.00 0.00 N ATOM 35 CD2 HIS A 3 -7.376 8.617 11.328 1.00 0.00 C ATOM 36 CE1 HIS A 3 -9.078 9.953 11.681 1.00 0.00 C ATOM 37 NE2 HIS A 3 -8.384 8.956 12.197 1.00 0.00 N ATOM 0 HA HIS A 3 -6.800 9.482 6.869 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.932 8.711 9.002 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.078 10.457 9.030 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -8.889 11.002 9.890 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.641 7.839 11.472 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.931 10.432 12.138 1.00 0.00 H new ATOM 46 N SER A 4 -9.223 8.129 6.716 1.00 0.00 N ATOM 47 CA SER A 4 -10.080 6.959 6.564 1.00 0.00 C ATOM 48 C SER A 4 -10.995 7.106 5.351 1.00 0.00 C ATOM 49 O SER A 4 -11.663 8.127 5.187 1.00 0.00 O ATOM 50 CB SER A 4 -10.918 6.748 7.826 1.00 0.00 C ATOM 51 OG SER A 4 -11.771 7.855 8.063 1.00 0.00 O ATOM 0 H SER A 4 -9.392 8.867 6.032 1.00 0.00 H new ATOM 0 HA SER A 4 -9.441 6.090 6.410 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.514 5.841 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.260 6.602 8.683 1.00 0.00 H new ATOM 0 HG SER A 4 -11.893 8.358 7.231 1.00 0.00 H new ATOM 57 N GLY A 5 -11.024 6.079 4.507 1.00 0.00 N ATOM 58 CA GLY A 5 -11.864 6.110 3.326 1.00 0.00 C ATOM 59 C GLY A 5 -12.322 4.725 2.930 1.00 0.00 C ATOM 60 O GLY A 5 -11.703 3.734 3.309 1.00 0.00 O ATOM 0 H GLY A 5 -10.479 5.225 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.733 6.741 3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.314 6.562 2.500 1.00 0.00 H new ATOM 64 N ALA A 6 -13.405 4.648 2.169 1.00 0.00 N ATOM 65 CA ALA A 6 -13.930 3.360 1.737 1.00 0.00 C ATOM 66 C ALA A 6 -13.019 2.725 0.694 1.00 0.00 C ATOM 67 O ALA A 6 -12.940 3.188 -0.444 1.00 0.00 O ATOM 68 CB ALA A 6 -15.340 3.521 1.196 1.00 0.00 C ATOM 0 H ALA A 6 -13.934 5.456 1.840 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.965 2.695 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.720 2.551 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.985 3.925 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.328 4.203 0.346 1.00 0.00 H new ATOM 74 N ALA A 7 -12.325 1.664 1.096 1.00 0.00 N ATOM 75 CA ALA A 7 -11.408 0.964 0.204 1.00 0.00 C ATOM 76 C ALA A 7 -11.875 -0.467 -0.057 1.00 0.00 C ATOM 77 O ALA A 7 -12.532 -1.078 0.785 1.00 0.00 O ATOM 78 CB ALA A 7 -10.002 0.965 0.789 1.00 0.00 C ATOM 0 H ALA A 7 -12.381 1.270 2.035 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.395 1.491 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.327 0.439 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.661 1.993 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.010 0.464 1.757 1.00 0.00 H new ATOM 84 N ILE A 8 -11.532 -0.994 -1.229 1.00 0.00 N ATOM 85 CA ILE A 8 -11.916 -2.354 -1.600 1.00 0.00 C ATOM 86 C ILE A 8 -10.774 -3.335 -1.344 1.00 0.00 C ATOM 87 O ILE A 8 -9.602 -2.995 -1.510 1.00 0.00 O ATOM 88 CB ILE A 8 -12.352 -2.430 -3.082 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.793 -1.942 -3.227 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.218 -3.843 -3.635 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.912 -0.681 -4.037 1.00 0.00 C ATOM 0 H ILE A 8 -10.989 -0.501 -1.938 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.765 -2.633 -0.975 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.690 -1.784 -3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.390 -2.725 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.213 -1.771 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.533 -3.857 -4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.179 -4.164 -3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.846 -4.521 -3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.960 -0.388 -4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.342 0.115 -3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.521 -0.854 -5.040 1.00 0.00 H new ATOM 103 N PHE A 9 -11.126 -4.552 -0.943 1.00 0.00 N ATOM 104 CA PHE A 9 -10.134 -5.585 -0.669 1.00 0.00 C ATOM 105 C PHE A 9 -10.697 -6.965 -0.989 1.00 0.00 C ATOM 106 O PHE A 9 -11.758 -7.340 -0.496 1.00 0.00 O ATOM 107 CB PHE A 9 -9.696 -5.526 0.796 1.00 0.00 C ATOM 108 CG PHE A 9 -8.412 -6.256 1.068 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.266 -5.962 0.345 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.349 -7.233 2.048 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.084 -6.632 0.593 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.169 -7.906 2.301 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.035 -7.605 1.573 1.00 0.00 C ATOM 0 H PHE A 9 -12.092 -4.847 -0.800 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.267 -5.405 -1.305 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.581 -4.483 1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.484 -5.948 1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.298 -5.201 -0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.233 -7.472 2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.199 -6.396 0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.134 -8.666 3.067 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.111 -8.129 1.769 1.00 0.00 H new ATOM 123 N GLU A 10 -9.984 -7.716 -1.820 1.00 0.00 N ATOM 124 CA GLU A 10 -10.421 -9.052 -2.207 1.00 0.00 C ATOM 125 C GLU A 10 -11.703 -8.982 -3.033 1.00 0.00 C ATOM 126 O GLU A 10 -12.538 -9.885 -2.978 1.00 0.00 O ATOM 127 CB GLU A 10 -10.642 -9.924 -0.969 1.00 0.00 C ATOM 128 CG GLU A 10 -9.447 -9.960 -0.031 1.00 0.00 C ATOM 129 CD GLU A 10 -9.646 -10.916 1.130 1.00 0.00 C ATOM 130 OE1 GLU A 10 -10.362 -11.923 0.952 1.00 0.00 O ATOM 131 OE2 GLU A 10 -9.086 -10.657 2.215 1.00 0.00 O ATOM 0 H GLU A 10 -9.101 -7.423 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.638 -9.501 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.510 -9.554 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.875 -10.940 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.559 -10.254 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.263 -8.958 0.356 1.00 0.00 H new ATOM 138 N LYS A 11 -11.843 -7.902 -3.803 1.00 0.00 N ATOM 139 CA LYS A 11 -13.013 -7.693 -4.659 1.00 0.00 C ATOM 140 C LYS A 11 -14.214 -7.164 -3.873 1.00 0.00 C ATOM 141 O LYS A 11 -15.254 -6.861 -4.457 1.00 0.00 O ATOM 142 CB LYS A 11 -13.397 -8.985 -5.388 1.00 0.00 C ATOM 143 CG LYS A 11 -12.213 -9.721 -5.994 1.00 0.00 C ATOM 144 CD LYS A 11 -12.401 -11.230 -5.933 1.00 0.00 C ATOM 145 CE LYS A 11 -11.484 -11.865 -4.900 1.00 0.00 C ATOM 146 NZ LYS A 11 -10.316 -12.539 -5.532 1.00 0.00 N ATOM 0 H LYS A 11 -11.154 -7.152 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.733 -6.938 -5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.906 -9.648 -4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.109 -8.748 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.083 -9.411 -7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.302 -9.445 -5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.439 -11.459 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.201 -11.662 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.131 -11.100 -4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.047 -12.590 -4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.716 -12.959 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.651 -13.287 -6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.764 -11.843 -6.072 1.00 0.00 H new ATOM 160 N VAL A 12 -14.074 -7.045 -2.554 1.00 0.00 N ATOM 161 CA VAL A 12 -15.159 -6.544 -1.722 1.00 0.00 C ATOM 162 C VAL A 12 -14.869 -5.126 -1.250 1.00 0.00 C ATOM 163 O VAL A 12 -13.718 -4.770 -0.997 1.00 0.00 O ATOM 164 CB VAL A 12 -15.404 -7.458 -0.502 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.242 -7.407 0.479 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.711 -7.092 0.190 1.00 0.00 C ATOM 0 H VAL A 12 -13.225 -7.288 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.060 -6.539 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.480 -8.482 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.450 -8.063 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.330 -7.736 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.112 -6.385 0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.865 -7.748 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.666 -6.057 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.538 -7.209 -0.510 1.00 0.00 H new ATOM 176 N SER A 13 -15.911 -4.316 -1.137 1.00 0.00 N ATOM 177 CA SER A 13 -15.746 -2.941 -0.698 1.00 0.00 C ATOM 178 C SER A 13 -15.952 -2.816 0.804 1.00 0.00 C ATOM 179 O SER A 13 -16.963 -3.266 1.345 1.00 0.00 O ATOM 180 CB SER A 13 -16.715 -2.018 -1.435 1.00 0.00 C ATOM 181 OG SER A 13 -18.052 -2.468 -1.302 1.00 0.00 O ATOM 0 H SER A 13 -16.873 -4.586 -1.342 1.00 0.00 H new ATOM 0 HA SER A 13 -14.725 -2.640 -0.932 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.628 -1.006 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.447 -1.973 -2.491 1.00 0.00 H new ATOM 0 HG SER A 13 -18.145 -2.976 -0.469 1.00 0.00 H new ATOM 187 N GLY A 14 -14.986 -2.199 1.470 1.00 0.00 N ATOM 188 CA GLY A 14 -15.071 -2.018 2.903 1.00 0.00 C ATOM 189 C GLY A 14 -14.750 -0.600 3.318 1.00 0.00 C ATOM 190 O GLY A 14 -15.119 0.354 2.632 1.00 0.00 O ATOM 0 H GLY A 14 -14.142 -1.820 1.040 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.075 -2.276 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.382 -2.704 3.396 1.00 0.00 H new ATOM 194 N ILE A 15 -14.056 -0.459 4.438 1.00 0.00 N ATOM 195 CA ILE A 15 -13.679 0.855 4.937 1.00 0.00 C ATOM 196 C ILE A 15 -12.234 0.864 5.395 1.00 0.00 C ATOM 197 O ILE A 15 -11.854 0.127 6.298 1.00 0.00 O ATOM 198 CB ILE A 15 -14.563 1.291 6.121 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.023 0.894 5.879 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.431 2.791 6.355 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.729 1.731 4.835 1.00 0.00 C ATOM 0 H ILE A 15 -13.743 -1.238 5.018 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.816 1.552 4.110 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.223 0.777 7.020 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.057 -0.152 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.569 0.970 6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.061 3.085 7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.392 3.034 6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.745 3.328 5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.757 1.385 4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.730 2.776 5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.210 1.636 3.881 1.00 0.00 H new ATOM 213 N ILE A 16 -11.435 1.721 4.784 1.00 0.00 N ATOM 214 CA ILE A 16 -10.038 1.839 5.148 1.00 0.00 C ATOM 215 C ILE A 16 -9.865 2.989 6.125 1.00 0.00 C ATOM 216 O ILE A 16 -10.237 4.122 5.835 1.00 0.00 O ATOM 217 CB ILE A 16 -9.148 2.028 3.891 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.439 0.716 3.558 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.127 3.144 4.064 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.482 0.819 2.388 1.00 0.00 C ATOM 0 H ILE A 16 -11.732 2.345 4.033 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.717 0.916 5.632 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.802 2.316 3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.889 0.378 4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.187 -0.045 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.530 3.235 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.644 4.084 4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.474 2.913 4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.017 -0.151 2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.029 1.127 1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.711 1.556 2.613 1.00 0.00 H new ATOM 232 N ALA A 17 -9.328 2.686 7.293 1.00 0.00 N ATOM 233 CA ALA A 17 -9.140 3.701 8.316 1.00 0.00 C ATOM 234 C ALA A 17 -7.798 3.542 9.019 1.00 0.00 C ATOM 235 O ALA A 17 -7.436 2.449 9.454 1.00 0.00 O ATOM 236 CB ALA A 17 -10.291 3.644 9.311 1.00 0.00 C ATOM 0 H ALA A 17 -9.016 1.751 7.557 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.135 4.680 7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.148 4.406 10.077 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.231 3.825 8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.319 2.660 9.779 1.00 0.00 H new ATOM 242 N ILE A 18 -7.061 4.644 9.116 1.00 0.00 N ATOM 243 CA ILE A 18 -5.750 4.640 9.754 1.00 0.00 C ATOM 244 C ILE A 18 -5.869 4.724 11.273 1.00 0.00 C ATOM 245 O ILE A 18 -6.513 5.625 11.810 1.00 0.00 O ATOM 246 CB ILE A 18 -4.885 5.813 9.247 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.731 5.743 7.726 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.519 5.806 9.921 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.778 6.533 6.973 1.00 0.00 C ATOM 0 H ILE A 18 -7.351 5.554 8.759 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.270 3.698 9.490 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.388 6.746 9.503 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.743 6.113 7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.780 4.700 7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.925 6.641 9.549 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.645 5.902 10.999 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.008 4.870 9.697 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.605 6.437 5.901 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.769 6.149 7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.716 7.583 7.258 1.00 0.00 H new ATOM 261 N ASN A 19 -5.233 3.780 11.959 1.00 0.00 N ATOM 262 CA ASN A 19 -5.251 3.742 13.416 1.00 0.00 C ATOM 263 C ASN A 19 -4.106 4.570 13.989 1.00 0.00 C ATOM 264 O ASN A 19 -2.995 4.072 14.165 1.00 0.00 O ATOM 265 CB ASN A 19 -5.151 2.299 13.913 1.00 0.00 C ATOM 266 CG ASN A 19 -5.576 2.154 15.361 1.00 0.00 C ATOM 267 OD1 ASN A 19 -6.174 3.063 15.938 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.269 1.008 15.957 1.00 0.00 N ATOM 0 H ASN A 19 -4.697 3.028 11.526 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.195 4.168 13.756 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.774 1.659 13.289 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.124 1.950 13.802 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.530 0.854 16.931 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.773 0.282 15.441 1.00 0.00 H new ATOM 275 N GLU A 20 -4.388 5.835 14.280 1.00 0.00 N ATOM 276 CA GLU A 20 -3.380 6.732 14.837 1.00 0.00 C ATOM 277 C GLU A 20 -3.502 6.812 16.354 1.00 0.00 C ATOM 278 O GLU A 20 -3.112 7.806 16.967 1.00 0.00 O ATOM 279 CB GLU A 20 -3.495 8.132 14.226 1.00 0.00 C ATOM 280 CG GLU A 20 -4.925 8.567 13.951 1.00 0.00 C ATOM 281 CD GLU A 20 -5.796 8.527 15.190 1.00 0.00 C ATOM 282 OE1 GLU A 20 -6.272 7.427 15.546 1.00 0.00 O ATOM 283 OE2 GLU A 20 -6.005 9.594 15.805 1.00 0.00 O ATOM 0 H GLU A 20 -5.303 6.262 14.140 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.400 6.324 14.588 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.030 8.851 14.900 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.932 8.158 13.293 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.921 9.579 13.547 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.357 7.920 13.187 1.00 0.00 H new ATOM 290 N ASP A 21 -4.039 5.755 16.955 1.00 0.00 N ATOM 291 CA ASP A 21 -4.206 5.700 18.401 1.00 0.00 C ATOM 292 C ASP A 21 -3.173 4.771 19.034 1.00 0.00 C ATOM 293 O ASP A 21 -3.062 4.696 20.259 1.00 0.00 O ATOM 294 CB ASP A 21 -5.618 5.228 18.754 1.00 0.00 C ATOM 295 CG ASP A 21 -6.654 6.321 18.579 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.541 7.361 19.262 1.00 0.00 O ATOM 297 OD2 ASP A 21 -7.577 6.138 17.757 1.00 0.00 O ATOM 0 H ASP A 21 -4.366 4.924 16.461 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.056 6.704 18.798 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.882 4.377 18.125 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.634 4.878 19.786 1.00 0.00 H new ATOM 302 N VAL A 22 -2.417 4.062 18.197 1.00 0.00 N ATOM 303 CA VAL A 22 -1.394 3.143 18.686 1.00 0.00 C ATOM 304 C VAL A 22 0.001 3.728 18.494 1.00 0.00 C ATOM 305 O VAL A 22 0.147 4.859 18.030 1.00 0.00 O ATOM 306 CB VAL A 22 -1.474 1.782 17.967 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.861 1.177 18.121 1.00 0.00 C ATOM 308 CG2 VAL A 22 -1.111 1.930 16.494 1.00 0.00 C ATOM 0 H VAL A 22 -2.494 4.107 17.181 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.580 2.994 19.750 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.753 1.107 18.429 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.898 0.217 17.607 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.079 1.031 19.179 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.601 1.849 17.688 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.174 0.958 16.004 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.804 2.622 16.016 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.095 2.316 16.407 1.00 0.00 H new ATOM 318 N SER A 23 1.025 2.951 18.837 1.00 0.00 N ATOM 319 CA SER A 23 2.398 3.410 18.677 1.00 0.00 C ATOM 320 C SER A 23 2.700 3.607 17.194 1.00 0.00 C ATOM 321 O SER A 23 2.866 4.737 16.738 1.00 0.00 O ATOM 322 CB SER A 23 3.383 2.426 19.313 1.00 0.00 C ATOM 323 OG SER A 23 3.901 2.938 20.529 1.00 0.00 O ATOM 0 H SER A 23 0.931 2.012 19.223 1.00 0.00 H new ATOM 0 HA SER A 23 2.515 4.364 19.191 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.883 1.475 19.498 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.201 2.227 18.621 1.00 0.00 H new ATOM 0 HG SER A 23 4.526 2.291 20.917 1.00 0.00 H new ATOM 329 N PRO A 24 2.746 2.515 16.404 1.00 0.00 N ATOM 330 CA PRO A 24 2.990 2.598 14.974 1.00 0.00 C ATOM 331 C PRO A 24 1.685 2.747 14.208 1.00 0.00 C ATOM 332 O PRO A 24 0.886 1.814 14.140 1.00 0.00 O ATOM 333 CB PRO A 24 3.626 1.254 14.673 1.00 0.00 C ATOM 334 CG PRO A 24 2.933 0.309 15.599 1.00 0.00 C ATOM 335 CD PRO A 24 2.534 1.112 16.822 1.00 0.00 C ATOM 0 HA PRO A 24 3.604 3.452 14.689 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.482 0.969 13.631 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.701 1.272 14.853 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.057 -0.129 15.121 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.591 -0.515 15.875 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.496 0.929 17.100 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.145 0.855 17.687 1.00 0.00 H new ATOM 343 N ALA A 25 1.463 3.925 13.646 1.00 0.00 N ATOM 344 CA ALA A 25 0.238 4.189 12.900 1.00 0.00 C ATOM 345 C ALA A 25 -0.044 3.077 11.893 1.00 0.00 C ATOM 346 O ALA A 25 0.755 2.822 10.992 1.00 0.00 O ATOM 347 CB ALA A 25 0.319 5.540 12.206 1.00 0.00 C ATOM 0 H ALA A 25 2.111 4.712 13.691 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.591 4.214 13.607 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.603 5.721 11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.456 6.324 12.951 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.162 5.544 11.515 1.00 0.00 H new ATOM 353 N GLU A 26 -1.180 2.412 12.067 1.00 0.00 N ATOM 354 CA GLU A 26 -1.572 1.316 11.190 1.00 0.00 C ATOM 355 C GLU A 26 -2.770 1.700 10.327 1.00 0.00 C ATOM 356 O GLU A 26 -3.385 2.748 10.522 1.00 0.00 O ATOM 357 CB GLU A 26 -1.913 0.077 12.020 1.00 0.00 C ATOM 358 CG GLU A 26 -0.912 -0.210 13.127 1.00 0.00 C ATOM 359 CD GLU A 26 -1.175 -1.531 13.822 1.00 0.00 C ATOM 360 OE1 GLU A 26 -1.828 -2.404 13.212 1.00 0.00 O ATOM 361 OE2 GLU A 26 -0.728 -1.693 14.978 1.00 0.00 O ATOM 0 H GLU A 26 -1.848 2.614 12.811 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.731 1.096 10.532 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.902 0.206 12.460 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.969 -0.788 11.359 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.095 -0.218 12.709 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.946 0.595 13.861 1.00 0.00 H new ATOM 368 N LEU A 27 -3.099 0.830 9.381 1.00 0.00 N ATOM 369 CA LEU A 27 -4.225 1.035 8.482 1.00 0.00 C ATOM 370 C LEU A 27 -5.178 -0.150 8.602 1.00 0.00 C ATOM 371 O LEU A 27 -4.845 -1.263 8.199 1.00 0.00 O ATOM 372 CB LEU A 27 -3.727 1.178 7.041 1.00 0.00 C ATOM 373 CG LEU A 27 -4.813 1.439 5.994 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.550 2.749 5.266 1.00 0.00 C ATOM 375 CD2 LEU A 27 -4.892 0.288 5.000 1.00 0.00 C ATOM 0 H LEU A 27 -2.591 -0.039 9.216 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.751 1.950 8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.006 1.994 7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.193 0.268 6.767 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.770 1.514 6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.332 2.917 4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.547 3.570 5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.582 2.700 4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.670 0.495 4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.933 0.179 4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.129 -0.635 5.530 1.00 0.00 H new ATOM 387 N THR A 28 -6.349 0.079 9.186 1.00 0.00 N ATOM 388 CA THR A 28 -7.317 -0.997 9.384 1.00 0.00 C ATOM 389 C THR A 28 -8.493 -0.913 8.418 1.00 0.00 C ATOM 390 O THR A 28 -9.261 0.050 8.433 1.00 0.00 O ATOM 391 CB THR A 28 -7.835 -0.973 10.823 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.786 -0.681 11.729 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.465 -2.280 11.254 1.00 0.00 C ATOM 0 H THR A 28 -6.651 0.991 9.528 1.00 0.00 H new ATOM 0 HA THR A 28 -6.797 -1.934 9.185 1.00 0.00 H new ATOM 0 HB THR A 28 -8.600 -0.197 10.842 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.138 -0.668 12.644 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.811 -2.195 12.284 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.310 -2.508 10.605 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.728 -3.080 11.184 1.00 0.00 H new ATOM 401 N TRP A 29 -8.638 -1.947 7.592 1.00 0.00 N ATOM 402 CA TRP A 29 -9.724 -2.021 6.635 1.00 0.00 C ATOM 403 C TRP A 29 -10.911 -2.773 7.232 1.00 0.00 C ATOM 404 O TRP A 29 -10.850 -3.985 7.435 1.00 0.00 O ATOM 405 CB TRP A 29 -9.260 -2.733 5.365 1.00 0.00 C ATOM 406 CG TRP A 29 -10.370 -2.964 4.392 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.968 -2.025 3.614 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.027 -4.203 4.111 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.953 -2.601 2.845 1.00 0.00 N ATOM 410 CE2 TRP A 29 -12.009 -3.941 3.135 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.877 -5.509 4.584 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.837 -4.940 2.627 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.699 -6.498 4.081 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.667 -6.209 3.111 1.00 0.00 C ATOM 0 H TRP A 29 -8.007 -2.749 7.572 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.032 -1.005 6.388 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.481 -2.140 4.886 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.813 -3.690 5.633 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.708 -0.977 3.601 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.543 -2.113 2.171 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.131 -5.741 5.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.585 -4.721 1.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.594 -7.511 4.441 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.293 -7.005 2.737 1.00 0.00 H new ATOM 425 N ARG A 30 -11.990 -2.050 7.497 1.00 0.00 N ATOM 426 CA ARG A 30 -13.194 -2.654 8.055 1.00 0.00 C ATOM 427 C ARG A 30 -14.302 -2.679 7.010 1.00 0.00 C ATOM 428 O ARG A 30 -14.776 -1.630 6.575 1.00 0.00 O ATOM 429 CB ARG A 30 -13.655 -1.881 9.292 1.00 0.00 C ATOM 430 CG ARG A 30 -12.958 -2.311 10.573 1.00 0.00 C ATOM 431 CD ARG A 30 -13.854 -2.115 11.785 1.00 0.00 C ATOM 432 NE ARG A 30 -14.945 -3.086 11.822 1.00 0.00 N ATOM 433 CZ ARG A 30 -14.801 -4.350 12.211 1.00 0.00 C ATOM 434 NH1 ARG A 30 -13.614 -4.801 12.597 1.00 0.00 N ATOM 435 NH2 ARG A 30 -15.847 -5.166 12.214 1.00 0.00 N ATOM 0 H ARG A 30 -12.057 -1.045 7.335 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.964 -3.678 8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.479 -0.817 9.132 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.730 -2.012 9.412 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.670 -3.359 10.498 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.041 -1.736 10.700 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.259 -2.204 12.694 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.267 -1.106 11.771 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.873 -2.776 11.532 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.807 -4.178 12.596 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.509 -5.771 12.894 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -16.761 -4.824 11.918 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.737 -6.135 12.512 1.00 0.00 H new ATOM 449 N SER A 31 -14.708 -3.878 6.601 1.00 0.00 N ATOM 450 CA SER A 31 -15.757 -4.029 5.594 1.00 0.00 C ATOM 451 C SER A 31 -16.951 -3.134 5.905 1.00 0.00 C ATOM 452 O SER A 31 -17.068 -2.597 7.007 1.00 0.00 O ATOM 453 CB SER A 31 -16.207 -5.489 5.501 1.00 0.00 C ATOM 454 OG SER A 31 -16.345 -6.065 6.788 1.00 0.00 O ATOM 0 H SER A 31 -14.328 -4.758 6.950 1.00 0.00 H new ATOM 0 HA SER A 31 -15.342 -3.725 4.633 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.157 -5.546 4.970 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.482 -6.059 4.920 1.00 0.00 H new ATOM 0 HG SER A 31 -15.458 -6.270 7.151 1.00 0.00 H new ATOM 460 N THR A 32 -17.836 -2.978 4.927 1.00 0.00 N ATOM 461 CA THR A 32 -19.021 -2.153 5.094 1.00 0.00 C ATOM 462 C THR A 32 -20.041 -2.877 5.951 1.00 0.00 C ATOM 463 O THR A 32 -20.685 -2.288 6.818 1.00 0.00 O ATOM 464 CB THR A 32 -19.629 -1.818 3.734 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.867 -2.389 2.684 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.728 -0.331 3.473 1.00 0.00 C ATOM 0 H THR A 32 -17.753 -3.414 4.009 1.00 0.00 H new ATOM 0 HA THR A 32 -18.734 -1.225 5.589 1.00 0.00 H new ATOM 0 HB THR A 32 -20.636 -2.235 3.760 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.011 -1.918 2.608 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.168 -0.163 2.490 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.355 0.131 4.235 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.732 0.111 3.505 1.00 0.00 H new ATOM 474 N ASP A 33 -20.176 -4.164 5.687 1.00 0.00 N ATOM 475 CA ASP A 33 -21.114 -5.001 6.416 1.00 0.00 C ATOM 476 C ASP A 33 -20.526 -5.462 7.744 1.00 0.00 C ATOM 477 O ASP A 33 -21.231 -5.558 8.749 1.00 0.00 O ATOM 478 CB ASP A 33 -21.517 -6.212 5.572 1.00 0.00 C ATOM 479 CG ASP A 33 -22.360 -5.826 4.373 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.315 -5.041 4.547 1.00 0.00 O ATOM 481 OD2 ASP A 33 -22.065 -6.309 3.260 1.00 0.00 O ATOM 0 H ASP A 33 -19.645 -4.656 4.969 1.00 0.00 H new ATOM 0 HA ASP A 33 -22.001 -4.403 6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.620 -6.728 5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.073 -6.915 6.192 1.00 0.00 H new ATOM 486 N GLY A 34 -19.234 -5.746 7.738 1.00 0.00 N ATOM 487 CA GLY A 34 -18.566 -6.196 8.945 1.00 0.00 C ATOM 488 C GLY A 34 -18.225 -7.672 8.900 1.00 0.00 C ATOM 489 O GLY A 34 -18.111 -8.322 9.939 1.00 0.00 O ATOM 0 H GLY A 34 -18.632 -5.673 6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.652 -5.619 9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.205 -6.000 9.806 1.00 0.00 H new ATOM 493 N ASP A 35 -18.066 -8.203 7.693 1.00 0.00 N ATOM 494 CA ASP A 35 -17.740 -9.613 7.514 1.00 0.00 C ATOM 495 C ASP A 35 -16.277 -9.799 7.118 1.00 0.00 C ATOM 496 O ASP A 35 -15.725 -10.890 7.254 1.00 0.00 O ATOM 497 CB ASP A 35 -18.651 -10.237 6.456 1.00 0.00 C ATOM 498 CG ASP A 35 -18.461 -9.615 5.084 1.00 0.00 C ATOM 499 OD1 ASP A 35 -17.659 -8.664 4.968 1.00 0.00 O ATOM 500 OD2 ASP A 35 -19.116 -10.078 4.127 1.00 0.00 O ATOM 0 H ASP A 35 -18.158 -7.678 6.823 1.00 0.00 H new ATOM 0 HA ASP A 35 -17.900 -10.116 8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.453 -11.307 6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -19.691 -10.122 6.763 1.00 0.00 H new ATOM 505 N LYS A 36 -15.654 -8.733 6.627 1.00 0.00 N ATOM 506 CA LYS A 36 -14.257 -8.793 6.213 1.00 0.00 C ATOM 507 C LYS A 36 -13.448 -7.671 6.851 1.00 0.00 C ATOM 508 O LYS A 36 -13.916 -6.538 6.962 1.00 0.00 O ATOM 509 CB LYS A 36 -14.151 -8.718 4.689 1.00 0.00 C ATOM 510 CG LYS A 36 -14.899 -9.831 3.973 1.00 0.00 C ATOM 511 CD LYS A 36 -15.622 -9.315 2.739 1.00 0.00 C ATOM 512 CE LYS A 36 -16.838 -10.167 2.409 1.00 0.00 C ATOM 513 NZ LYS A 36 -16.562 -11.123 1.300 1.00 0.00 N ATOM 0 H LYS A 36 -16.093 -7.820 6.506 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.846 -9.744 6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.538 -7.756 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.100 -8.756 4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.198 -10.614 3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.619 -10.284 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.933 -8.283 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.938 -9.311 1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.146 -10.720 3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -17.670 -9.520 2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -17.415 -11.685 1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.293 -10.595 0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.785 -11.757 1.574 1.00 0.00 H new ATOM 527 N VAL A 37 -12.232 -7.998 7.277 1.00 0.00 N ATOM 528 CA VAL A 37 -11.361 -7.019 7.911 1.00 0.00 C ATOM 529 C VAL A 37 -9.899 -7.241 7.524 1.00 0.00 C ATOM 530 O VAL A 37 -9.509 -8.340 7.131 1.00 0.00 O ATOM 531 CB VAL A 37 -11.520 -7.056 9.452 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.336 -7.738 10.129 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.717 -5.651 9.997 1.00 0.00 C ATOM 0 H VAL A 37 -11.830 -8.932 7.194 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.660 -6.034 7.553 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.406 -7.649 9.679 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.487 -7.743 11.208 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.253 -8.764 9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.420 -7.196 9.893 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.827 -5.693 11.081 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.852 -5.038 9.744 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.613 -5.213 9.558 1.00 0.00 H new ATOM 543 N HIS A 38 -9.097 -6.187 7.643 1.00 0.00 N ATOM 544 CA HIS A 38 -7.677 -6.258 7.312 1.00 0.00 C ATOM 545 C HIS A 38 -6.900 -5.176 8.054 1.00 0.00 C ATOM 546 O HIS A 38 -7.417 -4.087 8.299 1.00 0.00 O ATOM 547 CB HIS A 38 -7.471 -6.108 5.803 1.00 0.00 C ATOM 548 CG HIS A 38 -6.234 -6.783 5.298 1.00 0.00 C ATOM 549 ND1 HIS A 38 -5.817 -8.021 5.741 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.320 -6.387 4.381 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.701 -8.355 5.120 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.378 -7.381 4.290 1.00 0.00 N ATOM 0 H HIS A 38 -9.407 -5.271 7.967 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.303 -7.233 7.623 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.337 -6.519 5.284 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.424 -5.048 5.555 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -6.296 -8.590 6.439 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.330 -5.461 3.825 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.146 -9.270 5.266 1.00 0.00 H new ATOM 561 N THR A 39 -5.659 -5.482 8.419 1.00 0.00 N ATOM 562 CA THR A 39 -4.823 -4.528 9.142 1.00 0.00 C ATOM 563 C THR A 39 -3.465 -4.356 8.469 1.00 0.00 C ATOM 564 O THR A 39 -2.798 -5.333 8.129 1.00 0.00 O ATOM 565 CB THR A 39 -4.632 -4.984 10.589 1.00 0.00 C ATOM 566 OG1 THR A 39 -5.743 -5.745 11.027 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.450 -3.837 11.559 1.00 0.00 C ATOM 0 H THR A 39 -5.211 -6.378 8.228 1.00 0.00 H new ATOM 0 HA THR A 39 -5.332 -3.564 9.131 1.00 0.00 H new ATOM 0 HB THR A 39 -3.721 -5.583 10.584 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.600 -6.028 11.954 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.320 -4.230 12.567 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.569 -3.259 11.278 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.330 -3.194 11.531 1.00 0.00 H new ATOM 575 N VAL A 40 -3.058 -3.102 8.289 1.00 0.00 N ATOM 576 CA VAL A 40 -1.776 -2.789 7.669 1.00 0.00 C ATOM 577 C VAL A 40 -0.978 -1.851 8.542 1.00 0.00 C ATOM 578 O VAL A 40 -1.476 -0.821 8.978 1.00 0.00 O ATOM 579 CB VAL A 40 -1.955 -2.140 6.285 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.786 -1.224 5.931 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.117 -3.217 5.238 1.00 0.00 C ATOM 0 H VAL A 40 -3.601 -2.284 8.565 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.244 -3.733 7.550 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.852 -1.521 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.952 -0.786 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.709 -0.429 6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.138 -1.801 5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.244 -2.756 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.231 -3.852 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.994 -3.822 5.471 1.00 0.00 H new ATOM 591 N VAL A 41 0.267 -2.196 8.781 1.00 0.00 N ATOM 592 CA VAL A 41 1.114 -1.342 9.594 1.00 0.00 C ATOM 593 C VAL A 41 2.045 -0.507 8.727 1.00 0.00 C ATOM 594 O VAL A 41 3.010 -1.016 8.156 1.00 0.00 O ATOM 595 CB VAL A 41 1.913 -2.141 10.641 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.880 -1.236 11.397 1.00 0.00 C ATOM 597 CG2 VAL A 41 0.956 -2.819 11.605 1.00 0.00 C ATOM 0 H VAL A 41 0.713 -3.045 8.433 1.00 0.00 H new ATOM 0 HA VAL A 41 0.453 -0.667 10.138 1.00 0.00 H new ATOM 0 HB VAL A 41 2.501 -2.901 10.126 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.432 -1.825 12.130 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.580 -0.783 10.694 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.321 -0.452 11.908 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.524 -3.384 12.345 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.352 -2.064 12.109 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.304 -3.496 11.054 1.00 0.00 H new ATOM 607 N LEU A 42 1.741 0.784 8.636 1.00 0.00 N ATOM 608 CA LEU A 42 2.535 1.712 7.841 1.00 0.00 C ATOM 609 C LEU A 42 4.020 1.610 8.187 1.00 0.00 C ATOM 610 O LEU A 42 4.881 1.927 7.367 1.00 0.00 O ATOM 611 CB LEU A 42 2.037 3.144 8.056 1.00 0.00 C ATOM 612 CG LEU A 42 0.724 3.492 7.347 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.804 3.135 5.871 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.451 2.780 8.007 1.00 0.00 C ATOM 0 H LEU A 42 0.944 1.213 9.107 1.00 0.00 H new ATOM 0 HA LEU A 42 2.418 1.445 6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.909 3.310 9.126 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.809 3.835 7.716 1.00 0.00 H new ATOM 0 HG LEU A 42 0.564 4.567 7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.137 3.389 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.616 3.693 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.991 2.066 5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.373 3.041 7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.299 1.702 7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.523 3.087 9.050 1.00 0.00 H new ATOM 626 N SER A 43 4.314 1.162 9.406 1.00 0.00 N ATOM 627 CA SER A 43 5.696 1.015 9.852 1.00 0.00 C ATOM 628 C SER A 43 6.423 -0.047 9.037 1.00 0.00 C ATOM 629 O SER A 43 7.635 0.030 8.834 1.00 0.00 O ATOM 630 CB SER A 43 5.741 0.655 11.338 1.00 0.00 C ATOM 631 OG SER A 43 6.950 1.091 11.933 1.00 0.00 O ATOM 0 H SER A 43 3.615 0.896 10.100 1.00 0.00 H new ATOM 0 HA SER A 43 6.201 1.969 9.702 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.895 1.111 11.851 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.642 -0.424 11.457 1.00 0.00 H new ATOM 0 HG SER A 43 7.030 2.063 11.837 1.00 0.00 H new ATOM 637 N THR A 44 5.671 -1.032 8.567 1.00 0.00 N ATOM 638 CA THR A 44 6.235 -2.113 7.763 1.00 0.00 C ATOM 639 C THR A 44 6.075 -1.813 6.284 1.00 0.00 C ATOM 640 O THR A 44 6.914 -2.181 5.463 1.00 0.00 O ATOM 641 CB THR A 44 5.559 -3.447 8.096 1.00 0.00 C ATOM 642 OG1 THR A 44 4.401 -3.637 7.302 1.00 0.00 O ATOM 643 CG2 THR A 44 5.140 -3.563 9.544 1.00 0.00 C ATOM 0 H THR A 44 4.667 -1.107 8.728 1.00 0.00 H new ATOM 0 HA THR A 44 7.297 -2.189 7.998 1.00 0.00 H new ATOM 0 HB THR A 44 6.312 -4.207 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.797 -2.873 7.416 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.668 -4.532 9.710 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.017 -3.472 10.185 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.432 -2.769 9.783 1.00 0.00 H new ATOM 651 N ILE A 45 4.981 -1.143 5.956 1.00 0.00 N ATOM 652 CA ILE A 45 4.683 -0.782 4.576 1.00 0.00 C ATOM 653 C ILE A 45 5.904 -0.177 3.887 1.00 0.00 C ATOM 654 O ILE A 45 6.306 0.947 4.188 1.00 0.00 O ATOM 655 CB ILE A 45 3.500 0.209 4.496 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.225 -0.442 5.039 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.284 0.683 3.065 1.00 0.00 C ATOM 658 CD1 ILE A 45 1.939 -1.806 4.444 1.00 0.00 C ATOM 0 H ILE A 45 4.280 -0.836 6.630 1.00 0.00 H new ATOM 0 HA ILE A 45 4.405 -1.701 4.059 1.00 0.00 H new ATOM 0 HB ILE A 45 3.740 1.077 5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.309 -0.537 6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.379 0.216 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.446 1.379 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.184 1.183 2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.067 -0.174 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.021 -2.206 4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.823 -1.715 3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.767 -2.480 4.664 1.00 0.00 H new ATOM 670 N ASP A 46 6.486 -0.933 2.964 1.00 0.00 N ATOM 671 CA ASP A 46 7.659 -0.479 2.230 1.00 0.00 C ATOM 672 C ASP A 46 7.364 0.813 1.476 1.00 0.00 C ATOM 673 O ASP A 46 8.105 1.789 1.586 1.00 0.00 O ATOM 674 CB ASP A 46 8.126 -1.558 1.253 1.00 0.00 C ATOM 675 CG ASP A 46 9.637 -1.625 1.143 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.247 -0.615 0.733 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.210 -2.687 1.469 1.00 0.00 O ATOM 0 H ASP A 46 6.163 -1.866 2.706 1.00 0.00 H new ATOM 0 HA ASP A 46 8.453 -0.284 2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.745 -2.527 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.701 -1.361 0.269 1.00 0.00 H new ATOM 682 N LYS A 47 6.278 0.813 0.706 1.00 0.00 N ATOM 683 CA LYS A 47 5.892 1.989 -0.066 1.00 0.00 C ATOM 684 C LYS A 47 4.400 1.975 -0.371 1.00 0.00 C ATOM 685 O LYS A 47 3.714 0.980 -0.136 1.00 0.00 O ATOM 686 CB LYS A 47 6.682 2.061 -1.380 1.00 0.00 C ATOM 687 CG LYS A 47 8.060 1.421 -1.317 1.00 0.00 C ATOM 688 CD LYS A 47 8.771 1.497 -2.658 1.00 0.00 C ATOM 689 CE LYS A 47 8.660 0.187 -3.423 1.00 0.00 C ATOM 690 NZ LYS A 47 8.630 0.404 -4.895 1.00 0.00 N ATOM 0 H LYS A 47 5.653 0.014 0.601 1.00 0.00 H new ATOM 0 HA LYS A 47 6.121 2.868 0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.104 1.574 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.793 3.107 -1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.660 1.921 -0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.965 0.379 -1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.343 2.304 -3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.822 1.740 -2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.503 -0.455 -3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.756 -0.338 -3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.554 -0.513 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.811 0.995 -5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.504 0.882 -5.193 1.00 0.00 H new ATOM 704 N LEU A 48 3.907 3.085 -0.907 1.00 0.00 N ATOM 705 CA LEU A 48 2.498 3.209 -1.260 1.00 0.00 C ATOM 706 C LEU A 48 2.337 3.209 -2.777 1.00 0.00 C ATOM 707 O LEU A 48 3.302 3.435 -3.510 1.00 0.00 O ATOM 708 CB LEU A 48 1.916 4.497 -0.670 1.00 0.00 C ATOM 709 CG LEU A 48 0.686 4.307 0.216 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.103 4.023 1.651 1.00 0.00 C ATOM 711 CD2 LEU A 48 -0.208 5.537 0.152 1.00 0.00 C ATOM 0 H LEU A 48 4.465 3.915 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 48 1.957 2.358 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.691 4.994 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.655 5.167 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 48 0.121 3.451 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.215 3.890 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.705 3.115 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.688 4.860 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.080 5.386 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.347 6.409 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.532 5.698 -0.876 1.00 0.00 H new ATOM 723 N GLN A 49 1.121 2.959 -3.249 1.00 0.00 N ATOM 724 CA GLN A 49 0.857 2.937 -4.683 1.00 0.00 C ATOM 725 C GLN A 49 -0.523 3.502 -4.998 1.00 0.00 C ATOM 726 O GLN A 49 -1.503 3.191 -4.319 1.00 0.00 O ATOM 727 CB GLN A 49 0.978 1.510 -5.223 1.00 0.00 C ATOM 728 CG GLN A 49 1.896 1.393 -6.428 1.00 0.00 C ATOM 729 CD GLN A 49 2.748 0.139 -6.391 1.00 0.00 C ATOM 730 OE1 GLN A 49 3.047 -0.391 -5.320 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.146 -0.341 -7.563 1.00 0.00 N ATOM 0 H GLN A 49 0.307 2.770 -2.664 1.00 0.00 H new ATOM 0 HA GLN A 49 1.601 3.567 -5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.348 0.860 -4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.013 1.148 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.297 1.394 -7.338 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.545 2.268 -6.472 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.875 0.130 -8.426 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.723 -1.181 -7.601 1.00 0.00 H new ATOM 740 N ALA A 50 -0.591 4.332 -6.032 1.00 0.00 N ATOM 741 CA ALA A 50 -1.849 4.942 -6.444 1.00 0.00 C ATOM 742 C ALA A 50 -1.872 5.187 -7.948 1.00 0.00 C ATOM 743 O ALA A 50 -0.930 5.740 -8.512 1.00 0.00 O ATOM 744 CB ALA A 50 -2.080 6.243 -5.693 1.00 0.00 C ATOM 0 H ALA A 50 0.212 4.598 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.655 4.249 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.024 6.685 -6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.117 6.043 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.265 6.935 -5.905 1.00 0.00 H new ATOM 847 N MET A 58 -8.981 3.882 -10.994 1.00 0.00 N ATOM 848 CA MET A 58 -8.585 4.258 -9.641 1.00 0.00 C ATOM 849 C MET A 58 -8.273 3.022 -8.804 1.00 0.00 C ATOM 850 O MET A 58 -9.145 2.189 -8.560 1.00 0.00 O ATOM 851 CB MET A 58 -9.692 5.076 -8.974 1.00 0.00 C ATOM 852 CG MET A 58 -10.217 6.210 -9.841 1.00 0.00 C ATOM 853 SD MET A 58 -10.334 7.773 -8.949 1.00 0.00 S ATOM 854 CE MET A 58 -8.661 8.388 -9.128 1.00 0.00 C ATOM 0 HA MET A 58 -7.683 4.867 -9.707 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.518 4.413 -8.718 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.314 5.490 -8.039 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.561 6.336 -10.702 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.201 5.942 -10.226 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.595 9.390 -8.705 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.972 7.726 -8.603 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.397 8.422 -10.185 1.00 0.00 H new ATOM 864 N MET A 59 -7.023 2.909 -8.367 1.00 0.00 N ATOM 865 CA MET A 59 -6.595 1.772 -7.558 1.00 0.00 C ATOM 866 C MET A 59 -5.325 2.103 -6.780 1.00 0.00 C ATOM 867 O MET A 59 -4.415 2.746 -7.303 1.00 0.00 O ATOM 868 CB MET A 59 -6.354 0.552 -8.448 1.00 0.00 C ATOM 869 CG MET A 59 -7.502 -0.445 -8.446 1.00 0.00 C ATOM 870 SD MET A 59 -7.639 -1.351 -10.000 1.00 0.00 S ATOM 871 CE MET A 59 -5.912 -1.668 -10.362 1.00 0.00 C ATOM 0 H MET A 59 -6.288 3.590 -8.559 1.00 0.00 H new ATOM 0 HA MET A 59 -7.388 1.546 -6.845 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.179 0.888 -9.470 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.446 0.047 -8.118 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.362 -1.152 -7.629 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.436 0.083 -8.254 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.830 -2.540 -11.011 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.480 -0.801 -10.863 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.374 -1.855 -9.433 1.00 0.00 H new ATOM 881 N LEU A 60 -5.267 1.656 -5.529 1.00 0.00 N ATOM 882 CA LEU A 60 -4.105 1.903 -4.683 1.00 0.00 C ATOM 883 C LEU A 60 -3.517 0.591 -4.167 1.00 0.00 C ATOM 884 O LEU A 60 -4.251 -0.332 -3.813 1.00 0.00 O ATOM 885 CB LEU A 60 -4.488 2.802 -3.504 1.00 0.00 C ATOM 886 CG LEU A 60 -4.212 4.292 -3.708 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.407 4.972 -4.359 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.876 4.958 -2.381 1.00 0.00 C ATOM 0 H LEU A 60 -6.010 1.121 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.349 2.407 -5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.550 2.670 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.946 2.466 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.354 4.396 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.192 6.032 -4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.603 4.513 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.283 4.859 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.682 6.018 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.715 4.844 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.990 4.489 -1.953 1.00 0.00 H new ATOM 900 N ARG A 61 -2.189 0.517 -4.123 1.00 0.00 N ATOM 901 CA ARG A 61 -1.505 -0.681 -3.645 1.00 0.00 C ATOM 902 C ARG A 61 -0.646 -0.363 -2.426 1.00 0.00 C ATOM 903 O ARG A 61 -0.175 0.764 -2.263 1.00 0.00 O ATOM 904 CB ARG A 61 -0.638 -1.289 -4.753 1.00 0.00 C ATOM 905 CG ARG A 61 -1.226 -1.137 -6.146 1.00 0.00 C ATOM 906 CD ARG A 61 -0.221 -1.522 -7.221 1.00 0.00 C ATOM 907 NE ARG A 61 -0.334 -2.930 -7.597 1.00 0.00 N ATOM 908 CZ ARG A 61 0.550 -3.564 -8.363 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.611 -2.923 -8.836 1.00 0.00 N ATOM 910 NH2 ARG A 61 0.372 -4.845 -8.658 1.00 0.00 N ATOM 0 H ARG A 61 -1.566 1.271 -4.412 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.264 -1.408 -3.357 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.345 -0.819 -4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.490 -2.349 -4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.115 -1.762 -6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.544 -0.106 -6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.375 -0.898 -8.101 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.789 -1.323 -6.862 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.137 -3.457 -7.252 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.753 -1.938 -8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.285 -3.415 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.442 -5.343 -8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.049 -5.332 -9.245 1.00 0.00 H new ATOM 924 N LEU A 62 -0.453 -1.358 -1.568 1.00 0.00 N ATOM 925 CA LEU A 62 0.340 -1.180 -0.357 1.00 0.00 C ATOM 926 C LEU A 62 1.420 -2.250 -0.235 1.00 0.00 C ATOM 927 O LEU A 62 1.122 -3.424 -0.018 1.00 0.00 O ATOM 928 CB LEU A 62 -0.573 -1.221 0.870 1.00 0.00 C ATOM 929 CG LEU A 62 -0.238 -0.231 1.996 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.614 0.926 1.503 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.517 0.298 2.614 1.00 0.00 C ATOM 0 H LEU A 62 -0.835 -2.296 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 62 0.833 -0.210 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.596 -1.035 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.549 -2.230 1.282 1.00 0.00 H new ATOM 0 HG LEU A 62 0.341 -0.770 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.826 1.601 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.550 0.542 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.077 1.467 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.273 0.999 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.106 0.807 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.093 -0.531 3.024 1.00 0.00 H new ATOM 943 N ILE A 63 2.678 -1.837 -0.364 1.00 0.00 N ATOM 944 CA ILE A 63 3.799 -2.761 -0.258 1.00 0.00 C ATOM 945 C ILE A 63 4.239 -2.915 1.192 1.00 0.00 C ATOM 946 O ILE A 63 4.339 -1.935 1.927 1.00 0.00 O ATOM 947 CB ILE A 63 5.001 -2.291 -1.105 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.593 -2.164 -2.571 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.170 -3.256 -0.961 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.116 -3.466 -3.171 1.00 0.00 C ATOM 0 H ILE A 63 2.945 -0.869 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 63 3.457 -3.724 -0.638 1.00 0.00 H new ATOM 0 HB ILE A 63 5.319 -1.313 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.801 -1.420 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.442 -1.795 -3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.007 -2.907 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.474 -3.306 0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.867 -4.247 -1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.841 -3.307 -4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.914 -4.207 -3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.248 -3.825 -2.618 1.00 0.00 H new ATOM 962 N GLY A 64 4.494 -4.155 1.594 1.00 0.00 N ATOM 963 CA GLY A 64 4.916 -4.424 2.958 1.00 0.00 C ATOM 964 C GLY A 64 6.413 -4.629 3.077 1.00 0.00 C ATOM 965 O GLY A 64 7.098 -4.843 2.077 1.00 0.00 O ATOM 0 H GLY A 64 4.416 -4.980 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.615 -3.594 3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.401 -5.312 3.325 1.00 0.00 H new ATOM 969 N LYS A 65 6.924 -4.564 4.304 1.00 0.00 N ATOM 970 CA LYS A 65 8.351 -4.746 4.546 1.00 0.00 C ATOM 971 C LYS A 65 8.799 -6.145 4.136 1.00 0.00 C ATOM 972 O LYS A 65 8.074 -7.121 4.329 1.00 0.00 O ATOM 973 CB LYS A 65 8.674 -4.505 6.023 1.00 0.00 C ATOM 974 CG LYS A 65 9.963 -3.730 6.244 1.00 0.00 C ATOM 975 CD LYS A 65 9.882 -2.333 5.651 1.00 0.00 C ATOM 976 CE LYS A 65 9.624 -1.286 6.723 1.00 0.00 C ATOM 977 NZ LYS A 65 8.689 -0.228 6.253 1.00 0.00 N ATOM 0 H LYS A 65 6.372 -4.387 5.143 1.00 0.00 H new ATOM 0 HA LYS A 65 8.892 -4.020 3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.849 -3.961 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.745 -5.466 6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.169 -3.662 7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.795 -4.270 5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.813 -2.102 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.086 -2.298 4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.211 -1.768 7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.569 -0.830 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.103 0.096 7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.233 0.573 5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.076 -0.613 5.506 1.00 0.00 H new ATOM 1007 N ASP A 67 12.818 -8.157 3.523 1.00 0.00 N ATOM 1008 CA ASP A 67 13.982 -8.584 4.290 1.00 0.00 C ATOM 1009 C ASP A 67 15.212 -8.698 3.395 1.00 0.00 C ATOM 1010 O ASP A 67 15.118 -9.132 2.247 1.00 0.00 O ATOM 1011 CB ASP A 67 13.707 -9.926 4.972 1.00 0.00 C ATOM 1012 CG ASP A 67 13.416 -11.031 3.975 1.00 0.00 C ATOM 1013 OD1 ASP A 67 14.293 -11.319 3.134 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.311 -11.609 4.036 1.00 0.00 O ATOM 0 HA ASP A 67 14.178 -7.831 5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.568 -10.205 5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.860 -9.819 5.650 1.00 0.00 H new ATOM 1019 N GLU A 68 16.365 -8.307 3.928 1.00 0.00 N ATOM 1020 CA GLU A 68 17.614 -8.366 3.177 1.00 0.00 C ATOM 1021 C GLU A 68 18.502 -9.504 3.674 1.00 0.00 C ATOM 1022 O GLU A 68 19.387 -9.970 2.957 1.00 0.00 O ATOM 1023 CB GLU A 68 18.361 -7.036 3.284 1.00 0.00 C ATOM 1024 CG GLU A 68 17.546 -5.841 2.819 1.00 0.00 C ATOM 1025 CD GLU A 68 17.940 -4.557 3.522 1.00 0.00 C ATOM 1026 OE1 GLU A 68 19.125 -4.171 3.433 1.00 0.00 O ATOM 1027 OE2 GLU A 68 17.065 -3.938 4.162 1.00 0.00 O ATOM 0 H GLU A 68 16.460 -7.946 4.877 1.00 0.00 H new ATOM 0 HA GLU A 68 17.369 -8.555 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.661 -6.880 4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.275 -7.094 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.673 -5.716 1.744 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.488 -6.037 2.994 1.00 0.00 H new ATOM 1034 N SER A 69 18.260 -9.945 4.902 1.00 0.00 N ATOM 1035 CA SER A 69 19.037 -11.028 5.494 1.00 0.00 C ATOM 1036 C SER A 69 18.627 -12.380 4.917 1.00 0.00 C ATOM 1037 O SER A 69 19.386 -13.347 4.980 1.00 0.00 O ATOM 1038 CB SER A 69 18.867 -11.036 7.014 1.00 0.00 C ATOM 1039 OG SER A 69 19.287 -9.806 7.581 1.00 0.00 O ATOM 0 H SER A 69 17.531 -9.569 5.508 1.00 0.00 H new ATOM 0 HA SER A 69 20.086 -10.857 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.822 -11.218 7.265 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.445 -11.854 7.443 1.00 0.00 H new ATOM 0 HG SER A 69 19.167 -9.836 8.553 1.00 0.00 H new ATOM 1045 N LYS A 70 17.424 -12.440 4.357 1.00 0.00 N ATOM 1046 CA LYS A 70 16.916 -13.674 3.770 1.00 0.00 C ATOM 1047 C LYS A 70 16.827 -13.558 2.251 1.00 0.00 C ATOM 1048 O LYS A 70 15.742 -13.627 1.673 1.00 0.00 O ATOM 1049 CB LYS A 70 15.539 -14.010 4.351 1.00 0.00 C ATOM 1050 CG LYS A 70 15.603 -14.725 5.690 1.00 0.00 C ATOM 1051 CD LYS A 70 15.536 -16.234 5.520 1.00 0.00 C ATOM 1052 CE LYS A 70 15.595 -16.949 6.860 1.00 0.00 C ATOM 1053 NZ LYS A 70 16.122 -18.335 6.726 1.00 0.00 N ATOM 0 H LYS A 70 16.783 -11.649 4.297 1.00 0.00 H new ATOM 0 HA LYS A 70 17.611 -14.477 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.968 -13.089 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.996 -14.634 3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.526 -14.456 6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.779 -14.392 6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.614 -16.502 5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.362 -16.567 4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.227 -16.385 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.598 -16.980 7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.147 -18.789 7.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.505 -18.881 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.083 -18.304 6.331 1.00 0.00 H new ATOM 1067 N LYS A 71 17.978 -13.382 1.610 1.00 0.00 N ATOM 1068 CA LYS A 71 18.033 -13.256 0.158 1.00 0.00 C ATOM 1069 C LYS A 71 18.004 -14.629 -0.508 1.00 0.00 C ATOM 1070 O LYS A 71 17.932 -15.656 0.166 1.00 0.00 O ATOM 1071 CB LYS A 71 19.293 -12.499 -0.263 1.00 0.00 C ATOM 1072 CG LYS A 71 19.345 -11.071 0.258 1.00 0.00 C ATOM 1073 CD LYS A 71 19.794 -10.098 -0.822 1.00 0.00 C ATOM 1074 CE LYS A 71 21.305 -10.116 -0.994 1.00 0.00 C ATOM 1075 NZ LYS A 71 21.715 -9.652 -2.348 1.00 0.00 N ATOM 0 H LYS A 71 18.885 -13.323 2.073 1.00 0.00 H new ATOM 0 HA LYS A 71 17.156 -12.695 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.169 -13.040 0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 71 19.351 -12.483 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.360 -10.780 0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 71 20.029 -11.017 1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.316 -10.356 -1.767 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.468 -9.090 -0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 71 21.764 -9.479 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 71 21.677 -11.127 -0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.752 -9.679 -2.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 21.298 -10.274 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.382 -8.678 -2.497 1.00 0.00 H new ATOM 1089 N ARG A 72 18.060 -14.637 -1.836 1.00 0.00 N ATOM 1090 CA ARG A 72 18.042 -15.883 -2.594 1.00 0.00 C ATOM 1091 C ARG A 72 18.192 -15.614 -4.088 1.00 0.00 C ATOM 1092 O ARG A 72 18.109 -14.470 -4.533 1.00 0.00 O ATOM 1093 CB ARG A 72 16.742 -16.645 -2.329 1.00 0.00 C ATOM 1094 CG ARG A 72 15.498 -15.913 -2.809 1.00 0.00 C ATOM 1095 CD ARG A 72 14.817 -16.652 -3.950 1.00 0.00 C ATOM 1096 NE ARG A 72 13.617 -17.358 -3.506 1.00 0.00 N ATOM 1097 CZ ARG A 72 12.879 -18.135 -4.297 1.00 0.00 C ATOM 1098 NH1 ARG A 72 13.214 -18.308 -5.570 1.00 0.00 N ATOM 1099 NH2 ARG A 72 11.803 -18.740 -3.813 1.00 0.00 N ATOM 0 H ARG A 72 18.118 -13.795 -2.409 1.00 0.00 H new ATOM 0 HA ARG A 72 18.886 -16.491 -2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.794 -17.617 -2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.653 -16.833 -1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.799 -15.800 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.770 -14.909 -3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.551 -15.943 -4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.516 -17.365 -4.388 1.00 0.00 H new ATOM 0 HE ARG A 72 13.328 -17.249 -2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.041 -17.845 -5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.645 -18.904 -6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.541 -18.610 -2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.237 -19.335 -4.418 1.00 0.00 H new ATOM 1113 N LYS A 73 18.414 -16.675 -4.856 1.00 0.00 N ATOM 1114 CA LYS A 73 18.576 -16.554 -6.300 1.00 0.00 C ATOM 1115 C LYS A 73 17.220 -16.521 -6.998 1.00 0.00 C ATOM 1116 O LYS A 73 16.175 -16.553 -6.349 1.00 0.00 O ATOM 1117 CB LYS A 73 19.412 -17.714 -6.840 1.00 0.00 C ATOM 1118 CG LYS A 73 20.911 -17.477 -6.749 1.00 0.00 C ATOM 1119 CD LYS A 73 21.403 -17.564 -5.313 1.00 0.00 C ATOM 1120 CE LYS A 73 22.855 -18.005 -5.247 1.00 0.00 C ATOM 1121 NZ LYS A 73 23.326 -18.162 -3.842 1.00 0.00 N ATOM 0 H LYS A 73 18.486 -17.629 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 73 19.094 -15.617 -6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 73 19.161 -18.620 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 73 19.143 -17.891 -7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 73 21.434 -18.213 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 73 21.151 -16.495 -7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 73 21.295 -16.592 -4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 73 20.783 -18.267 -4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 73 22.971 -18.951 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 73 23.480 -17.274 -5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 24.321 -18.464 -3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 23.239 -17.254 -3.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 22.747 -18.878 -3.360 1.00 0.00 H new ATOM 1135 N ASP A 74 17.245 -16.459 -8.326 1.00 0.00 N ATOM 1136 CA ASP A 74 16.018 -16.423 -9.113 1.00 0.00 C ATOM 1137 C ASP A 74 15.971 -17.581 -10.105 1.00 0.00 C ATOM 1138 O ASP A 74 15.372 -17.470 -11.175 1.00 0.00 O ATOM 1139 CB ASP A 74 15.905 -15.092 -9.859 1.00 0.00 C ATOM 1140 CG ASP A 74 14.467 -14.724 -10.171 1.00 0.00 C ATOM 1141 OD1 ASP A 74 13.754 -15.565 -10.760 1.00 0.00 O ATOM 1142 OD2 ASP A 74 14.054 -13.598 -9.827 1.00 0.00 O ATOM 0 H ASP A 74 18.102 -16.433 -8.879 1.00 0.00 H new ATOM 0 HA ASP A 74 15.175 -16.522 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 74 16.357 -14.303 -9.258 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.472 -15.150 -10.788 1.00 0.00 H new ATOM 1147 N ASN A 75 16.610 -18.692 -9.743 1.00 0.00 N ATOM 1148 CA ASN A 75 16.647 -19.879 -10.599 1.00 0.00 C ATOM 1149 C ASN A 75 17.633 -19.711 -11.756 1.00 0.00 C ATOM 1150 O ASN A 75 17.797 -20.617 -12.574 1.00 0.00 O ATOM 1151 CB ASN A 75 15.253 -20.188 -11.149 1.00 0.00 C ATOM 1152 CG ASN A 75 15.097 -21.643 -11.547 1.00 0.00 C ATOM 1153 OD1 ASN A 75 14.740 -22.488 -10.727 1.00 0.00 O ATOM 1154 ND2 ASN A 75 15.366 -21.942 -12.813 1.00 0.00 N ATOM 0 H ASN A 75 17.111 -18.796 -8.861 1.00 0.00 H new ATOM 0 HA ASN A 75 16.985 -20.712 -9.983 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.505 -19.938 -10.397 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.058 -19.555 -12.015 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.279 -22.905 -13.139 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.659 -21.209 -13.459 1.00 0.00 H new ATOM 1161 N GLU A 76 18.286 -18.554 -11.825 1.00 0.00 N ATOM 1162 CA GLU A 76 19.250 -18.283 -12.885 1.00 0.00 C ATOM 1163 C GLU A 76 20.672 -18.353 -12.349 1.00 0.00 C ATOM 1164 O GLU A 76 21.608 -18.699 -13.070 1.00 0.00 O ATOM 1165 CB GLU A 76 18.995 -16.903 -13.497 1.00 0.00 C ATOM 1166 CG GLU A 76 17.558 -16.427 -13.365 1.00 0.00 C ATOM 1167 CD GLU A 76 17.345 -15.044 -13.947 1.00 0.00 C ATOM 1168 OE1 GLU A 76 18.055 -14.107 -13.528 1.00 0.00 O ATOM 1169 OE2 GLU A 76 16.467 -14.898 -14.825 1.00 0.00 O ATOM 0 H GLU A 76 18.165 -17.790 -11.160 1.00 0.00 H new ATOM 0 HA GLU A 76 19.128 -19.043 -13.657 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.653 -16.177 -13.019 1.00 0.00 H new ATOM 0 HB3 GLU A 76 19.263 -16.930 -14.553 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.898 -17.134 -13.867 1.00 0.00 H new ATOM 0 HG3 GLU A 76 17.277 -16.421 -12.312 1.00 0.00 H new ATOM 1176 N GLY A 77 20.821 -18.021 -11.075 1.00 0.00 N ATOM 1177 CA GLY A 77 22.128 -18.045 -10.444 1.00 0.00 C ATOM 1178 C GLY A 77 22.577 -16.672 -9.986 1.00 0.00 C ATOM 1179 O GLY A 77 23.774 -16.402 -9.894 1.00 0.00 O ATOM 0 H GLY A 77 20.057 -17.734 -10.463 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.102 -18.719 -9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.859 -18.448 -11.145 1.00 0.00 H new ATOM 1183 N ASN A 78 21.614 -15.801 -9.698 1.00 0.00 N ATOM 1184 CA ASN A 78 21.917 -14.447 -9.247 1.00 0.00 C ATOM 1185 C ASN A 78 21.183 -14.130 -7.948 1.00 0.00 C ATOM 1186 O ASN A 78 19.953 -14.085 -7.913 1.00 0.00 O ATOM 1187 CB ASN A 78 21.536 -13.431 -10.324 1.00 0.00 C ATOM 1188 CG ASN A 78 22.513 -13.420 -11.481 1.00 0.00 C ATOM 1189 OD1 ASN A 78 23.524 -14.123 -11.463 1.00 0.00 O ATOM 1190 ND2 ASN A 78 22.218 -12.619 -12.499 1.00 0.00 N ATOM 0 H ASN A 78 20.618 -16.009 -9.769 1.00 0.00 H new ATOM 0 HA ASN A 78 22.989 -14.383 -9.062 1.00 0.00 H new ATOM 0 HB2 ASN A 78 20.538 -13.659 -10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.491 -12.436 -9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 78 22.840 -12.570 -13.306 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.370 -12.053 -12.473 1.00 0.00 H new ATOM 1197 N GLU A 79 21.946 -13.913 -6.881 1.00 0.00 N ATOM 1198 CA GLU A 79 21.368 -13.600 -5.580 1.00 0.00 C ATOM 1199 C GLU A 79 20.538 -12.322 -5.645 1.00 0.00 C ATOM 1200 O GLU A 79 21.076 -11.217 -5.580 1.00 0.00 O ATOM 1201 CB GLU A 79 22.472 -13.452 -4.530 1.00 0.00 C ATOM 1202 CG GLU A 79 23.626 -12.573 -4.982 1.00 0.00 C ATOM 1203 CD GLU A 79 24.840 -13.376 -5.403 1.00 0.00 C ATOM 1204 OE1 GLU A 79 25.061 -14.464 -4.830 1.00 0.00 O ATOM 1205 OE2 GLU A 79 25.572 -12.918 -6.307 1.00 0.00 O ATOM 0 H GLU A 79 22.965 -13.948 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 79 20.712 -14.423 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.043 -13.034 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.856 -14.440 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.299 -11.951 -5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 79 23.904 -11.899 -4.171 1.00 0.00 H new ATOM 1212 N VAL A 80 19.225 -12.481 -5.772 1.00 0.00 N ATOM 1213 CA VAL A 80 18.320 -11.340 -5.844 1.00 0.00 C ATOM 1214 C VAL A 80 17.688 -11.055 -4.486 1.00 0.00 C ATOM 1215 O VAL A 80 18.034 -11.683 -3.485 1.00 0.00 O ATOM 1216 CB VAL A 80 17.206 -11.569 -6.887 1.00 0.00 C ATOM 1217 CG1 VAL A 80 17.807 -11.824 -8.261 1.00 0.00 C ATOM 1218 CG2 VAL A 80 16.306 -12.723 -6.470 1.00 0.00 C ATOM 0 H VAL A 80 18.764 -13.389 -5.827 1.00 0.00 H new ATOM 0 HA VAL A 80 18.916 -10.480 -6.149 1.00 0.00 H new ATOM 0 HB VAL A 80 16.596 -10.667 -6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 80 17.007 -11.983 -8.984 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.403 -10.963 -8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 80 18.442 -12.709 -8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.528 -12.867 -7.220 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.899 -13.634 -6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.846 -12.496 -5.508 1.00 0.00 H new ATOM 1228 N VAL A 81 16.760 -10.104 -4.456 1.00 0.00 N ATOM 1229 CA VAL A 81 16.081 -9.738 -3.219 1.00 0.00 C ATOM 1230 C VAL A 81 14.600 -10.113 -3.274 1.00 0.00 C ATOM 1231 O VAL A 81 13.889 -9.720 -4.199 1.00 0.00 O ATOM 1232 CB VAL A 81 16.204 -8.229 -2.936 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.663 -7.898 -1.554 1.00 0.00 C ATOM 1234 CG2 VAL A 81 17.650 -7.778 -3.074 1.00 0.00 C ATOM 0 H VAL A 81 16.461 -9.573 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 81 16.566 -10.292 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 81 15.607 -7.689 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.759 -6.827 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.613 -8.183 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.229 -8.446 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.719 -6.709 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.271 -8.323 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.998 -7.978 -4.087 1.00 0.00 H new ATOM 1244 N PRO A 82 14.110 -10.881 -2.282 1.00 0.00 N ATOM 1245 CA PRO A 82 12.706 -11.301 -2.232 1.00 0.00 C ATOM 1246 C PRO A 82 11.746 -10.120 -2.339 1.00 0.00 C ATOM 1247 O PRO A 82 11.845 -9.158 -1.578 1.00 0.00 O ATOM 1248 CB PRO A 82 12.579 -11.970 -0.862 1.00 0.00 C ATOM 1249 CG PRO A 82 13.959 -12.417 -0.529 1.00 0.00 C ATOM 1250 CD PRO A 82 14.882 -11.398 -1.136 1.00 0.00 C ATOM 0 HA PRO A 82 12.448 -11.956 -3.064 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.198 -11.274 -0.115 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.887 -12.812 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 82 14.100 -12.477 0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 82 14.155 -13.411 -0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.129 -10.607 -0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 82 15.823 -11.847 -1.454 1.00 0.00 H new ATOM 1258 N LYS A 83 10.819 -10.201 -3.288 1.00 0.00 N ATOM 1259 CA LYS A 83 9.842 -9.138 -3.492 1.00 0.00 C ATOM 1260 C LYS A 83 9.010 -8.913 -2.231 1.00 0.00 C ATOM 1261 O LYS A 83 8.627 -9.867 -1.555 1.00 0.00 O ATOM 1262 CB LYS A 83 8.925 -9.479 -4.669 1.00 0.00 C ATOM 1263 CG LYS A 83 8.289 -10.856 -4.564 1.00 0.00 C ATOM 1264 CD LYS A 83 8.296 -11.578 -5.902 1.00 0.00 C ATOM 1265 CE LYS A 83 7.209 -12.639 -5.968 1.00 0.00 C ATOM 1266 NZ LYS A 83 7.576 -13.753 -6.884 1.00 0.00 N ATOM 0 H LYS A 83 10.724 -10.990 -3.927 1.00 0.00 H new ATOM 0 HA LYS A 83 10.383 -8.219 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.138 -8.728 -4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.498 -9.422 -5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.827 -11.451 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.263 -10.758 -4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.151 -10.857 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.269 -12.042 -6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.027 -13.035 -4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.277 -12.184 -6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.809 -14.455 -6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.725 -13.379 -7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.451 -14.204 -6.549 1.00 0.00 H new ATOM 1280 N PRO A 84 8.718 -7.642 -1.897 1.00 0.00 N ATOM 1281 CA PRO A 84 7.929 -7.299 -0.710 1.00 0.00 C ATOM 1282 C PRO A 84 6.440 -7.559 -0.905 1.00 0.00 C ATOM 1283 O PRO A 84 5.981 -7.789 -2.025 1.00 0.00 O ATOM 1284 CB PRO A 84 8.191 -5.808 -0.543 1.00 0.00 C ATOM 1285 CG PRO A 84 8.423 -5.324 -1.927 1.00 0.00 C ATOM 1286 CD PRO A 84 9.134 -6.440 -2.643 1.00 0.00 C ATOM 0 HA PRO A 84 8.208 -7.900 0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.342 -5.303 -0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.056 -5.624 0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.481 -5.083 -2.419 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.024 -4.415 -1.927 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.841 -6.496 -3.691 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.216 -6.307 -2.621 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.614 -5.122 -1.001 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.054 -5.164 -0.776 1.00 0.00 C ATOM 1337 C HIS A 87 -2.788 -4.450 -1.906 1.00 0.00 C ATOM 1338 O HIS A 87 -2.544 -3.273 -2.170 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.404 -4.520 0.566 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.720 -5.162 1.733 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.931 -6.474 2.101 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.825 -4.664 2.619 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -1.195 -6.755 3.162 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.514 -5.675 3.495 1.00 0.00 N ATOM 0 HA HIS A 87 -2.369 -6.207 -0.756 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.136 -3.464 0.534 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.483 -4.571 0.714 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.430 -3.659 2.634 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -1.157 -7.707 3.670 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.138 -5.603 4.276 1.00 0.00 H new ATOM 1353 N MET A 88 -3.682 -5.170 -2.575 1.00 0.00 N ATOM 1354 CA MET A 88 -4.440 -4.601 -3.683 1.00 0.00 C ATOM 1355 C MET A 88 -5.708 -3.910 -3.193 1.00 0.00 C ATOM 1356 O MET A 88 -6.653 -4.564 -2.749 1.00 0.00 O ATOM 1357 CB MET A 88 -4.801 -5.693 -4.692 1.00 0.00 C ATOM 1358 CG MET A 88 -5.481 -5.162 -5.944 1.00 0.00 C ATOM 1359 SD MET A 88 -4.350 -5.010 -7.339 1.00 0.00 S ATOM 1360 CE MET A 88 -3.869 -3.291 -7.200 1.00 0.00 C ATOM 0 H MET A 88 -3.899 -6.145 -2.370 1.00 0.00 H new ATOM 0 HA MET A 88 -3.811 -3.854 -4.167 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.894 -6.226 -4.979 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.458 -6.418 -4.211 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.301 -5.827 -6.217 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.919 -4.187 -5.729 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.128 -3.058 -7.964 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.744 -2.656 -7.338 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.442 -3.111 -6.213 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.723 -2.585 -3.286 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.875 -1.798 -2.863 1.00 0.00 C ATOM 1372 C PHE A 89 -7.452 -1.020 -4.041 1.00 0.00 C ATOM 1373 O PHE A 89 -6.722 -0.352 -4.772 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.481 -0.832 -1.745 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.986 -1.520 -0.504 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.850 -2.271 0.278 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.660 -1.416 -0.122 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.397 -2.904 1.420 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.201 -2.047 1.018 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.072 -2.793 1.790 1.00 0.00 C ATOM 0 H PHE A 89 -4.948 -2.032 -3.652 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.636 -2.482 -2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.705 -0.161 -2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.342 -0.214 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.887 -2.362 -0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.976 -0.835 -0.722 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.079 -3.485 2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.164 -1.958 1.306 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.716 -3.288 2.681 1.00 0.00 H new ATOM 1390 N SER A 90 -8.764 -1.116 -4.225 1.00 0.00 N ATOM 1391 CA SER A 90 -9.432 -0.422 -5.321 1.00 0.00 C ATOM 1392 C SER A 90 -10.389 0.642 -4.794 1.00 0.00 C ATOM 1393 O SER A 90 -11.381 0.329 -4.138 1.00 0.00 O ATOM 1394 CB SER A 90 -10.194 -1.421 -6.193 1.00 0.00 C ATOM 1395 OG SER A 90 -10.861 -0.764 -7.257 1.00 0.00 O ATOM 0 H SER A 90 -9.385 -1.666 -3.632 1.00 0.00 H new ATOM 0 HA SER A 90 -8.668 0.071 -5.923 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.501 -2.160 -6.595 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.919 -1.962 -5.584 1.00 0.00 H new ATOM 0 HG SER A 90 -11.339 -1.424 -7.801 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.086 1.901 -5.087 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.923 3.009 -4.643 1.00 0.00 C ATOM 1403 C PHE A 91 -11.868 3.455 -5.754 1.00 0.00 C ATOM 1404 O PHE A 91 -11.459 3.602 -6.906 1.00 0.00 O ATOM 1405 CB PHE A 91 -10.052 4.179 -4.184 1.00 0.00 C ATOM 1406 CG PHE A 91 -9.237 3.867 -2.962 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.276 2.869 -2.993 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.435 4.564 -1.782 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.527 2.573 -1.869 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.690 4.273 -0.655 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.736 3.276 -0.698 1.00 0.00 C ATOM 0 H PHE A 91 -9.268 2.180 -5.629 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.525 2.667 -3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.383 4.465 -4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.689 5.039 -3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.110 2.316 -3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.181 5.344 -1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.780 1.794 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.854 4.825 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.154 3.046 0.182 1.00 0.00 H new ATOM 1421 N ASN A 92 -13.133 3.662 -5.404 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.138 4.082 -6.375 1.00 0.00 C ATOM 1423 C ASN A 92 -14.361 5.590 -6.320 1.00 0.00 C ATOM 1424 O ASN A 92 -15.455 6.076 -6.612 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.457 3.351 -6.123 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.381 1.880 -6.482 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.319 1.263 -6.399 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.510 1.310 -6.886 1.00 0.00 N ATOM 0 H ASN A 92 -13.487 3.546 -4.455 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.771 3.827 -7.369 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.730 3.452 -5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.248 3.824 -6.705 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.520 0.323 -7.142 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.368 1.859 -6.940 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.321 6.327 -5.947 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.407 7.780 -5.859 1.00 0.00 C ATOM 1437 C ASN A 93 -12.027 8.412 -6.007 1.00 0.00 C ATOM 1438 O ASN A 93 -11.017 7.806 -5.651 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.039 8.196 -4.529 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.483 8.629 -4.686 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.392 7.800 -4.726 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.703 9.936 -4.776 1.00 0.00 N ATOM 0 H ASN A 93 -12.409 5.943 -5.701 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.038 8.135 -6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.987 7.363 -3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.462 9.013 -4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.655 10.287 -4.883 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.920 10.589 -4.738 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.991 9.629 -6.536 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.731 10.339 -6.732 1.00 0.00 C ATOM 1451 C ARG A 94 -10.297 11.049 -5.454 1.00 0.00 C ATOM 1452 O ARG A 94 -9.107 11.143 -5.158 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.860 11.353 -7.872 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.132 12.185 -7.811 1.00 0.00 C ATOM 1455 CD ARG A 94 -13.153 11.721 -8.837 1.00 0.00 C ATOM 1456 NE ARG A 94 -14.255 12.668 -8.981 1.00 0.00 N ATOM 1457 CZ ARG A 94 -15.079 12.693 -10.027 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -14.929 11.826 -11.021 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -16.057 13.587 -10.079 1.00 0.00 N ATOM 0 H ARG A 94 -12.818 10.145 -6.837 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.970 9.603 -6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -9.999 12.021 -7.851 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.829 10.822 -8.824 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.563 12.119 -6.812 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.891 13.234 -7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.662 11.587 -9.801 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.547 10.749 -8.542 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.402 13.350 -8.237 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.179 11.135 -10.986 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.564 11.851 -11.819 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.178 14.255 -9.318 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.688 13.606 -10.880 1.00 0.00 H new ATOM 1473 N THR A 95 -11.269 11.554 -4.704 1.00 0.00 N ATOM 1474 CA THR A 95 -11.003 12.257 -3.473 1.00 0.00 C ATOM 1475 C THR A 95 -10.589 11.298 -2.360 1.00 0.00 C ATOM 1476 O THR A 95 -9.711 11.611 -1.557 1.00 0.00 O ATOM 1477 CB THR A 95 -12.252 13.019 -3.075 1.00 0.00 C ATOM 1478 OG1 THR A 95 -13.158 13.111 -4.163 1.00 0.00 O ATOM 1479 CG2 THR A 95 -11.969 14.419 -2.602 1.00 0.00 C ATOM 0 H THR A 95 -12.259 11.483 -4.939 1.00 0.00 H new ATOM 0 HA THR A 95 -10.174 12.947 -3.629 1.00 0.00 H new ATOM 0 HB THR A 95 -12.682 12.451 -2.250 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.784 12.358 -4.132 1.00 0.00 H new ATOM 0 HG21 THR A 95 -12.905 14.908 -2.333 1.00 0.00 H new ATOM 0 HG22 THR A 95 -11.315 14.383 -1.731 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.482 14.981 -3.399 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.228 10.134 -2.314 1.00 0.00 N ATOM 1488 CA VAL A 96 -10.923 9.139 -1.292 1.00 0.00 C ATOM 1489 C VAL A 96 -9.457 8.719 -1.351 1.00 0.00 C ATOM 1490 O VAL A 96 -8.755 8.752 -0.341 1.00 0.00 O ATOM 1491 CB VAL A 96 -11.829 7.896 -1.424 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.679 7.259 -2.796 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.529 6.890 -0.322 1.00 0.00 C ATOM 0 H VAL A 96 -11.958 9.857 -2.970 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.116 9.605 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.864 8.218 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.327 6.385 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.959 7.980 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.643 6.955 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.179 6.022 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.488 6.575 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.705 7.351 0.650 1.00 0.00 H new ATOM 1503 N MET A 97 -8.990 8.338 -2.537 1.00 0.00 N ATOM 1504 CA MET A 97 -7.601 7.930 -2.703 1.00 0.00 C ATOM 1505 C MET A 97 -6.674 9.111 -2.462 1.00 0.00 C ATOM 1506 O MET A 97 -5.560 8.955 -1.965 1.00 0.00 O ATOM 1507 CB MET A 97 -7.368 7.360 -4.102 1.00 0.00 C ATOM 1508 CG MET A 97 -7.982 8.193 -5.214 1.00 0.00 C ATOM 1509 SD MET A 97 -6.815 8.553 -6.542 1.00 0.00 S ATOM 1510 CE MET A 97 -6.935 10.337 -6.626 1.00 0.00 C ATOM 0 H MET A 97 -9.549 8.304 -3.390 1.00 0.00 H new ATOM 0 HA MET A 97 -7.383 7.152 -1.971 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.295 7.274 -4.275 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.780 6.352 -4.146 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.842 7.665 -5.625 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.353 9.130 -4.798 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.206 10.717 -7.341 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.938 10.620 -6.946 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.734 10.762 -5.642 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.155 10.294 -2.816 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.388 11.519 -2.639 1.00 0.00 C ATOM 1522 C ASP A 98 -6.233 11.847 -1.158 1.00 0.00 C ATOM 1523 O ASP A 98 -5.206 12.377 -0.733 1.00 0.00 O ATOM 1524 CB ASP A 98 -7.066 12.682 -3.367 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.409 12.995 -4.696 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.191 12.751 -4.829 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -7.112 13.483 -5.606 1.00 0.00 O ATOM 0 H ASP A 98 -8.077 10.432 -3.229 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.397 11.366 -3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.116 12.441 -3.532 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.038 13.569 -2.734 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.258 11.523 -0.374 1.00 0.00 N ATOM 1533 CA ASN A 99 -7.231 11.780 1.062 1.00 0.00 C ATOM 1534 C ASN A 99 -6.449 10.692 1.791 1.00 0.00 C ATOM 1535 O ASN A 99 -5.895 10.924 2.865 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.655 11.859 1.614 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.247 13.250 1.491 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -9.185 14.049 2.425 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -9.826 13.546 0.333 1.00 0.00 N ATOM 0 H ASN A 99 -8.115 11.083 -0.708 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.733 12.735 1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.288 11.149 1.081 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.653 11.560 2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.242 14.467 0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.855 12.853 -0.415 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.410 9.502 1.198 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.699 8.374 1.786 1.00 0.00 C ATOM 1548 C ILE A 100 -4.227 8.385 1.389 1.00 0.00 C ATOM 1549 O ILE A 100 -3.345 8.257 2.237 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.326 7.035 1.352 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.840 7.050 1.613 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.647 5.872 2.066 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -8.265 6.311 2.866 1.00 0.00 C ATOM 0 H ILE A 100 -6.864 9.295 0.308 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.780 8.474 2.868 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.171 6.900 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.174 8.085 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.349 6.610 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.102 4.934 1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.586 5.863 1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.767 5.986 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.348 6.371 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.965 5.266 2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.788 6.764 3.735 1.00 0.00 H new ATOM 1565 N LYS A 101 -3.971 8.533 0.094 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.606 8.556 -0.420 1.00 0.00 C ATOM 1567 C LYS A 101 -1.782 9.647 0.257 1.00 0.00 C ATOM 1568 O LYS A 101 -0.567 9.519 0.405 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.613 8.772 -1.934 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.226 8.769 -2.556 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.683 10.180 -2.716 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.388 10.923 -3.840 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.006 10.397 -5.179 1.00 0.00 N ATOM 0 H LYS A 101 -4.692 8.639 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.147 7.593 -0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.213 7.991 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.099 9.722 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.548 8.186 -1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.264 8.280 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.808 10.727 -1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.387 10.139 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.467 10.837 -3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.143 11.984 -3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.326 11.058 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.028 10.296 -5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.452 9.470 -5.328 1.00 0.00 H new ATOM 1587 N MET A 102 -2.448 10.724 0.662 1.00 0.00 N ATOM 1588 CA MET A 102 -1.774 11.838 1.319 1.00 0.00 C ATOM 1589 C MET A 102 -1.596 11.573 2.807 1.00 0.00 C ATOM 1590 O MET A 102 -0.575 11.925 3.397 1.00 0.00 O ATOM 1591 CB MET A 102 -2.563 13.132 1.112 1.00 0.00 C ATOM 1592 CG MET A 102 -3.934 13.122 1.769 1.00 0.00 C ATOM 1593 SD MET A 102 -4.868 14.630 1.448 1.00 0.00 S ATOM 1594 CE MET A 102 -4.826 15.404 3.062 1.00 0.00 C ATOM 0 H MET A 102 -3.454 10.849 0.547 1.00 0.00 H new ATOM 0 HA MET A 102 -0.787 11.944 0.870 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.986 13.967 1.509 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.683 13.307 0.043 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.500 12.264 1.406 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.816 12.994 2.845 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.364 16.351 3.025 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.297 14.747 3.793 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.791 15.586 3.351 1.00 0.00 H new ATOM 1604 N THR A 103 -2.600 10.953 3.402 1.00 0.00 N ATOM 1605 CA THR A 103 -2.572 10.636 4.826 1.00 0.00 C ATOM 1606 C THR A 103 -1.683 9.431 5.102 1.00 0.00 C ATOM 1607 O THR A 103 -1.035 9.354 6.146 1.00 0.00 O ATOM 1608 CB THR A 103 -3.988 10.374 5.342 1.00 0.00 C ATOM 1609 OG1 THR A 103 -4.821 11.496 5.112 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.039 10.058 6.821 1.00 0.00 C ATOM 0 H THR A 103 -3.450 10.657 2.922 1.00 0.00 H new ATOM 0 HA THR A 103 -2.156 11.495 5.353 1.00 0.00 H new ATOM 0 HB THR A 103 -4.339 9.502 4.790 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.492 11.272 4.434 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.072 9.883 7.120 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.447 9.166 7.023 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.635 10.897 7.387 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.649 8.495 4.164 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.826 7.306 4.319 1.00 0.00 C ATOM 1620 C LEU A 104 0.645 7.694 4.351 1.00 0.00 C ATOM 1621 O LEU A 104 1.336 7.451 5.340 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.100 6.311 3.186 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.082 5.187 3.533 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.318 5.745 4.223 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.475 4.416 2.282 1.00 0.00 C ATOM 0 H LEU A 104 -2.178 8.536 3.293 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.080 6.822 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.488 6.859 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.154 5.865 2.879 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.586 4.502 4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.002 4.930 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.024 6.251 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.815 6.454 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.173 3.622 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.949 5.093 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.585 3.980 1.829 1.00 0.00 H new ATOM 1637 N GLN A 105 1.111 8.325 3.276 1.00 0.00 N ATOM 1638 CA GLN A 105 2.499 8.773 3.196 1.00 0.00 C ATOM 1639 C GLN A 105 2.851 9.624 4.410 1.00 0.00 C ATOM 1640 O GLN A 105 4.010 9.693 4.818 1.00 0.00 O ATOM 1641 CB GLN A 105 2.730 9.567 1.910 1.00 0.00 C ATOM 1642 CG GLN A 105 1.794 10.754 1.750 1.00 0.00 C ATOM 1643 CD GLN A 105 1.848 11.355 0.360 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.135 12.541 0.193 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.570 10.537 -0.648 1.00 0.00 N ATOM 0 H GLN A 105 0.550 8.537 2.451 1.00 0.00 H new ATOM 0 HA GLN A 105 3.146 7.896 3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.760 9.923 1.893 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.608 8.901 1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.773 10.439 1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.054 11.518 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.337 9.561 -0.464 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.589 10.884 -1.607 1.00 0.00 H new ATOM 1654 N GLN A 106 1.837 10.260 4.994 1.00 0.00 N ATOM 1655 CA GLN A 106 2.041 11.088 6.174 1.00 0.00 C ATOM 1656 C GLN A 106 2.546 10.229 7.322 1.00 0.00 C ATOM 1657 O GLN A 106 3.367 10.662 8.130 1.00 0.00 O ATOM 1658 CB GLN A 106 0.744 11.801 6.567 1.00 0.00 C ATOM 1659 CG GLN A 106 0.728 13.279 6.209 1.00 0.00 C ATOM 1660 CD GLN A 106 1.943 14.020 6.732 1.00 0.00 C ATOM 1661 OE1 GLN A 106 1.971 14.460 7.881 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.958 14.162 5.886 1.00 0.00 N ATOM 0 H GLN A 106 0.871 10.216 4.669 1.00 0.00 H new ATOM 0 HA GLN A 106 2.787 11.849 5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.095 11.308 6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.592 11.694 7.641 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.681 13.386 5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.174 13.737 6.614 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.892 13.781 4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.803 14.652 6.181 1.00 0.00 H new ATOM 1671 N ILE A 107 2.061 8.996 7.365 1.00 0.00 N ATOM 1672 CA ILE A 107 2.470 8.043 8.387 1.00 0.00 C ATOM 1673 C ILE A 107 3.807 7.422 7.999 1.00 0.00 C ATOM 1674 O ILE A 107 4.672 7.185 8.840 1.00 0.00 O ATOM 1675 CB ILE A 107 1.418 6.929 8.571 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.106 7.518 9.097 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.937 5.849 9.510 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.065 7.309 8.161 1.00 0.00 C ATOM 0 H ILE A 107 1.380 8.631 6.700 1.00 0.00 H new ATOM 0 HA ILE A 107 2.566 8.579 9.331 1.00 0.00 H new ATOM 0 HB ILE A 107 1.227 6.471 7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.125 7.067 10.062 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.239 8.586 9.268 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.180 5.073 9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.845 5.411 9.095 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.158 6.288 10.483 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.962 7.751 8.596 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.854 7.784 7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.224 6.241 8.009 1.00 0.00 H new ATOM 1690 N ILE A 108 3.961 7.182 6.702 1.00 0.00 N ATOM 1691 CA ILE A 108 5.183 6.608 6.155 1.00 0.00 C ATOM 1692 C ILE A 108 6.382 7.472 6.510 1.00 0.00 C ATOM 1693 O ILE A 108 7.364 7.000 7.081 1.00 0.00 O ATOM 1694 CB ILE A 108 5.095 6.502 4.621 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.803 5.799 4.216 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.303 5.780 4.055 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.700 5.513 2.731 1.00 0.00 C ATOM 0 H ILE A 108 3.245 7.379 6.003 1.00 0.00 H new ATOM 0 HA ILE A 108 5.302 5.614 6.585 1.00 0.00 H new ATOM 0 HB ILE A 108 5.087 7.510 4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.725 4.860 4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.956 6.415 4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.215 5.719 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.209 6.327 4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.354 4.774 4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.755 5.012 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.745 6.450 2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.526 4.871 2.426 1.00 0.00 H new ATOM 1709 N SER A 109 6.284 8.746 6.154 1.00 0.00 N ATOM 1710 CA SER A 109 7.351 9.708 6.418 1.00 0.00 C ATOM 1711 C SER A 109 7.790 9.669 7.880 1.00 0.00 C ATOM 1712 O SER A 109 8.925 10.017 8.205 1.00 0.00 O ATOM 1713 CB SER A 109 6.894 11.120 6.050 1.00 0.00 C ATOM 1714 OG SER A 109 6.474 11.185 4.699 1.00 0.00 O ATOM 0 H SER A 109 5.472 9.141 5.679 1.00 0.00 H new ATOM 0 HA SER A 109 8.206 9.432 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.075 11.422 6.703 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.710 11.824 6.215 1.00 0.00 H new ATOM 0 HG SER A 109 5.589 10.773 4.611 1.00 0.00 H new ATOM 1720 N ARG A 110 6.888 9.243 8.754 1.00 0.00 N ATOM 1721 CA ARG A 110 7.186 9.157 10.180 1.00 0.00 C ATOM 1722 C ARG A 110 8.368 8.226 10.433 1.00 0.00 C ATOM 1723 O ARG A 110 9.123 8.411 11.387 1.00 0.00 O ATOM 1724 CB ARG A 110 5.962 8.663 10.956 1.00 0.00 C ATOM 1725 CG ARG A 110 4.693 9.443 10.656 1.00 0.00 C ATOM 1726 CD ARG A 110 3.550 9.016 11.564 1.00 0.00 C ATOM 1727 NE ARG A 110 2.453 9.980 11.552 1.00 0.00 N ATOM 1728 CZ ARG A 110 1.281 9.777 12.152 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.052 8.648 12.809 1.00 0.00 N ATOM 1730 NH2 ARG A 110 0.337 10.706 12.093 1.00 0.00 N ATOM 0 H ARG A 110 5.944 8.951 8.502 1.00 0.00 H new ATOM 0 HA ARG A 110 7.448 10.156 10.528 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.795 7.611 10.723 1.00 0.00 H new ATOM 0 HB3 ARG A 110 6.171 8.723 12.024 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.881 10.509 10.783 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.409 9.291 9.615 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.180 8.041 11.247 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.920 8.900 12.583 1.00 0.00 H new ATOM 0 HE ARG A 110 2.592 10.860 11.055 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.775 7.930 12.857 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.153 8.498 13.267 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.508 11.576 11.588 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.560 10.551 12.552 1.00 0.00 H new ATOM 1744 N TYR A 111 8.518 7.224 9.574 1.00 0.00 N ATOM 1745 CA TYR A 111 9.605 6.260 9.705 1.00 0.00 C ATOM 1746 C TYR A 111 10.806 6.678 8.861 1.00 0.00 C ATOM 1747 O TYR A 111 11.954 6.443 9.238 1.00 0.00 O ATOM 1748 CB TYR A 111 9.136 4.863 9.285 1.00 0.00 C ATOM 1749 CG TYR A 111 7.680 4.588 9.594 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.235 4.492 10.906 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.754 4.428 8.572 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.905 4.243 11.191 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.423 4.179 8.850 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.004 4.088 10.160 1.00 0.00 C ATOM 1755 OH TYR A 111 3.680 3.840 10.441 1.00 0.00 O ATOM 0 H TYR A 111 7.901 7.058 8.779 1.00 0.00 H new ATOM 0 HA TYR A 111 9.907 6.234 10.752 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.299 4.742 8.214 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.751 4.117 9.788 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.939 4.614 11.716 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.078 4.499 7.544 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.574 4.170 12.216 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.714 4.056 8.044 1.00 0.00 H new ATOM 0 HH TYR A 111 3.401 4.383 11.208 1.00 0.00 H new ATOM 1765 N LYS A 112 10.532 7.301 7.719 1.00 0.00 N ATOM 1766 CA LYS A 112 11.589 7.753 6.822 1.00 0.00 C ATOM 1767 C LYS A 112 12.507 8.750 7.520 1.00 0.00 C ATOM 1768 O LYS A 112 13.693 8.484 7.718 1.00 0.00 O ATOM 1769 CB LYS A 112 10.986 8.390 5.569 1.00 0.00 C ATOM 1770 CG LYS A 112 11.919 8.377 4.371 1.00 0.00 C ATOM 1771 CD LYS A 112 11.629 7.203 3.450 1.00 0.00 C ATOM 1772 CE LYS A 112 10.786 7.626 2.257 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.641 8.486 2.663 1.00 0.00 N ATOM 0 H LYS A 112 9.587 7.504 7.393 1.00 0.00 H new ATOM 0 HA LYS A 112 12.180 6.884 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.068 7.863 5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.710 9.420 5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.814 9.310 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.952 8.325 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.568 6.773 3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.109 6.423 4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.410 8.165 1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.411 6.740 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.965 8.558 1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.168 8.067 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.989 9.435 2.908 1.00 0.00 H new