USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 516 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 58 SER OG : rot -120:sc= 1.02 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -143:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 5 HIS : no HD1:sc= -0.383 X(o=0.054,f=0.19) USER MOD Set 2.2: A 9 THR OG1 : rot -67:sc= 0.436 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -63:sc= 0.0411 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 7:sc= 0.207 USER MOD Single : A 24 GLN : amide:sc= 0.257 X(o=0.26,f=-0.22) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0725 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-3.6) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.688 USER MOD Single : A 46 SER OG : rot -151:sc= 1.16 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.882 F(o=-3.1!,f=-0.88) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.479 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -3.448 -12.737 -0.843 1.00 0.00 N ATOM 9 CA SER A 2 -2.051 -12.304 -0.721 1.00 0.00 C ATOM 10 C SER A 2 -2.019 -10.784 -0.523 1.00 0.00 C ATOM 11 O SER A 2 -1.131 -10.248 0.139 1.00 0.00 O ATOM 12 CB SER A 2 -1.242 -12.673 -1.974 1.00 0.00 C ATOM 13 OG SER A 2 0.028 -13.177 -1.613 1.00 0.00 O ATOM 0 HA SER A 2 -1.602 -12.811 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.783 -13.418 -2.557 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.124 -11.795 -2.609 1.00 0.00 H new ATOM 0 HG SER A 2 0.530 -13.409 -2.422 1.00 0.00 H new ATOM 19 N GLU A 3 -2.998 -10.100 -1.112 1.00 0.00 N ATOM 20 CA GLU A 3 -3.168 -8.667 -1.106 1.00 0.00 C ATOM 21 C GLU A 3 -3.537 -8.238 0.318 1.00 0.00 C ATOM 22 O GLU A 3 -2.834 -7.430 0.917 1.00 0.00 O ATOM 23 CB GLU A 3 -4.204 -8.270 -2.186 1.00 0.00 C ATOM 24 CG GLU A 3 -4.076 -9.018 -3.532 1.00 0.00 C ATOM 25 CD GLU A 3 -4.778 -10.388 -3.550 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.346 -10.786 -2.505 1.00 0.00 O ATOM 27 OE2 GLU A 3 -4.711 -11.130 -4.555 1.00 0.00 O ATOM 0 H GLU A 3 -3.735 -10.571 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.252 -8.139 -1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.204 -8.442 -1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.116 -7.200 -2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.493 -8.396 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.019 -9.158 -3.760 1.00 0.00 H new ATOM 34 N GLU A 4 -4.567 -8.873 0.885 1.00 0.00 N ATOM 35 CA GLU A 4 -5.044 -8.684 2.257 1.00 0.00 C ATOM 36 C GLU A 4 -3.881 -8.810 3.252 1.00 0.00 C ATOM 37 O GLU A 4 -3.744 -8.014 4.185 1.00 0.00 O ATOM 38 CB GLU A 4 -6.137 -9.732 2.579 1.00 0.00 C ATOM 39 CG GLU A 4 -7.294 -9.796 1.568 1.00 0.00 C ATOM 40 CD GLU A 4 -8.339 -10.869 1.905 1.00 0.00 C ATOM 41 OE1 GLU A 4 -7.996 -12.070 2.061 1.00 0.00 O ATOM 42 OE2 GLU A 4 -9.536 -10.529 1.914 1.00 0.00 O ATOM 0 H GLU A 4 -5.116 -9.565 0.375 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.468 -7.684 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.670 -10.715 2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.548 -9.515 3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.784 -8.823 1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.889 -9.993 0.575 1.00 0.00 H new ATOM 49 N HIS A 5 -3.027 -9.815 3.048 1.00 0.00 N ATOM 50 CA HIS A 5 -1.953 -10.142 3.969 1.00 0.00 C ATOM 51 C HIS A 5 -0.821 -9.121 3.917 1.00 0.00 C ATOM 52 O HIS A 5 -0.185 -8.883 4.947 1.00 0.00 O ATOM 53 CB HIS A 5 -1.432 -11.541 3.635 1.00 0.00 C ATOM 54 CG HIS A 5 -0.463 -12.117 4.638 1.00 0.00 C ATOM 55 ND1 HIS A 5 -0.731 -13.145 5.508 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.829 -11.727 4.852 1.00 0.00 C ATOM 57 CE1 HIS A 5 0.368 -13.364 6.247 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.357 -12.542 5.858 1.00 0.00 N ATOM 0 H HIS A 5 -3.067 -10.425 2.231 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.346 -10.119 4.985 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.282 -12.217 3.544 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -0.946 -11.508 2.660 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.349 -10.933 4.337 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.446 -14.094 7.039 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.308 -12.517 6.225 1.00 0.00 H new ATOM 66 N PHE A 6 -0.517 -8.531 2.754 1.00 0.00 N ATOM 67 CA PHE A 6 0.511 -7.506 2.684 1.00 0.00 C ATOM 68 C PHE A 6 0.099 -6.313 3.549 1.00 0.00 C ATOM 69 O PHE A 6 0.916 -5.779 4.304 1.00 0.00 O ATOM 70 CB PHE A 6 0.807 -7.120 1.237 1.00 0.00 C ATOM 71 CG PHE A 6 1.988 -6.168 1.031 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.960 -5.940 2.024 1.00 0.00 C ATOM 73 CD2 PHE A 6 2.112 -5.475 -0.183 1.00 0.00 C ATOM 74 CE1 PHE A 6 4.069 -5.120 1.776 1.00 0.00 C ATOM 75 CE2 PHE A 6 3.217 -4.649 -0.439 1.00 0.00 C ATOM 76 CZ PHE A 6 4.213 -4.490 0.534 1.00 0.00 C ATOM 0 H PHE A 6 -0.966 -8.748 1.864 1.00 0.00 H new ATOM 0 HA PHE A 6 1.447 -7.897 3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.995 -8.031 0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.085 -6.659 0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.849 -6.405 2.993 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.343 -5.579 -0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.814 -4.974 2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.300 -4.136 -1.386 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.084 -3.886 0.327 1.00 0.00 H new ATOM 86 N VAL A 7 -1.182 -5.948 3.505 1.00 0.00 N ATOM 87 CA VAL A 7 -1.677 -4.834 4.298 1.00 0.00 C ATOM 88 C VAL A 7 -1.454 -5.101 5.788 1.00 0.00 C ATOM 89 O VAL A 7 -0.992 -4.221 6.518 1.00 0.00 O ATOM 90 CB VAL A 7 -3.140 -4.509 3.954 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.591 -3.269 4.722 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.294 -4.191 2.462 1.00 0.00 C ATOM 0 H VAL A 7 -1.889 -6.407 2.931 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.106 -3.940 4.047 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.739 -5.380 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.628 -3.044 4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.506 -3.453 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.961 -2.423 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.338 -3.965 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.675 -3.330 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.979 -5.052 1.872 1.00 0.00 H new ATOM 102 N GLU A 8 -1.746 -6.320 6.238 1.00 0.00 N ATOM 103 CA GLU A 8 -1.497 -6.726 7.610 1.00 0.00 C ATOM 104 C GLU A 8 0.000 -6.697 7.930 1.00 0.00 C ATOM 105 O GLU A 8 0.388 -6.101 8.926 1.00 0.00 O ATOM 106 CB GLU A 8 -2.092 -8.116 7.862 1.00 0.00 C ATOM 107 CG GLU A 8 -2.104 -8.452 9.365 1.00 0.00 C ATOM 108 CD GLU A 8 -3.493 -8.331 10.001 1.00 0.00 C ATOM 109 OE1 GLU A 8 -4.077 -7.218 10.034 1.00 0.00 O ATOM 110 OE2 GLU A 8 -3.973 -9.366 10.526 1.00 0.00 O ATOM 0 H GLU A 8 -2.161 -7.049 5.658 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.985 -6.016 8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.108 -8.156 7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.512 -8.866 7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.734 -9.468 9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.415 -7.787 9.885 1.00 0.00 H new ATOM 117 N THR A 9 0.860 -7.313 7.114 1.00 0.00 N ATOM 118 CA THR A 9 2.253 -7.517 7.486 1.00 0.00 C ATOM 119 C THR A 9 2.981 -6.208 7.769 1.00 0.00 C ATOM 120 O THR A 9 3.859 -6.161 8.636 1.00 0.00 O ATOM 121 CB THR A 9 3.025 -8.279 6.402 1.00 0.00 C ATOM 122 OG1 THR A 9 2.452 -8.329 5.112 1.00 0.00 O ATOM 123 CG2 THR A 9 3.292 -9.712 6.820 1.00 0.00 C ATOM 0 H THR A 9 0.612 -7.677 6.194 1.00 0.00 H new ATOM 0 HA THR A 9 2.224 -8.108 8.401 1.00 0.00 H new ATOM 0 HB THR A 9 3.932 -7.681 6.316 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.630 -8.862 5.140 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.841 -10.225 6.030 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.883 -9.720 7.736 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.345 -10.223 6.994 1.00 0.00 H new ATOM 131 N VAL A 10 2.644 -5.158 7.022 1.00 0.00 N ATOM 132 CA VAL A 10 3.247 -3.867 7.266 1.00 0.00 C ATOM 133 C VAL A 10 2.630 -3.232 8.518 1.00 0.00 C ATOM 134 O VAL A 10 3.364 -2.552 9.232 1.00 0.00 O ATOM 135 CB VAL A 10 3.110 -2.987 6.021 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.678 -1.606 6.330 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.867 -3.519 4.801 1.00 0.00 C ATOM 0 H VAL A 10 1.968 -5.182 6.258 1.00 0.00 H new ATOM 0 HA VAL A 10 4.314 -3.980 7.460 1.00 0.00 H new ATOM 0 HB VAL A 10 2.048 -2.968 5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.586 -0.970 5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.125 -1.162 7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.729 -1.698 6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.722 -2.842 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.930 -3.587 5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.489 -4.508 4.541 1.00 0.00 H new ATOM 147 N SER A 11 1.345 -3.454 8.835 1.00 0.00 N ATOM 148 CA SER A 11 0.762 -2.920 10.065 1.00 0.00 C ATOM 149 C SER A 11 1.526 -3.459 11.277 1.00 0.00 C ATOM 150 O SER A 11 1.771 -2.724 12.236 1.00 0.00 O ATOM 151 CB SER A 11 -0.766 -3.158 10.128 1.00 0.00 C ATOM 152 OG SER A 11 -1.181 -4.239 10.943 1.00 0.00 O ATOM 0 H SER A 11 0.699 -3.995 8.260 1.00 0.00 H new ATOM 0 HA SER A 11 0.873 -1.836 10.076 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.243 -2.248 10.491 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.132 -3.328 9.115 1.00 0.00 H new ATOM 0 HG SER A 11 -0.823 -5.077 10.583 1.00 0.00 H new ATOM 158 N LEU A 12 1.963 -4.721 11.213 1.00 0.00 N ATOM 159 CA LEU A 12 2.691 -5.375 12.288 1.00 0.00 C ATOM 160 C LEU A 12 4.095 -4.799 12.462 1.00 0.00 C ATOM 161 O LEU A 12 4.618 -4.822 13.576 1.00 0.00 O ATOM 162 CB LEU A 12 2.813 -6.885 12.034 1.00 0.00 C ATOM 163 CG LEU A 12 1.478 -7.624 11.840 1.00 0.00 C ATOM 164 CD1 LEU A 12 1.746 -9.112 11.581 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.534 -7.480 13.035 1.00 0.00 C ATOM 0 H LEU A 12 1.816 -5.319 10.400 1.00 0.00 H new ATOM 0 HA LEU A 12 2.118 -5.195 13.198 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.428 -7.040 11.148 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.342 -7.337 12.873 1.00 0.00 H new ATOM 0 HG LEU A 12 0.984 -7.165 10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.799 -9.634 11.444 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.354 -9.221 10.683 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.276 -9.540 12.432 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.390 -8.023 12.836 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.011 -7.888 13.926 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.308 -6.426 13.195 1.00 0.00 H new ATOM 177 N ALA A 13 4.730 -4.344 11.378 1.00 0.00 N ATOM 178 CA ALA A 13 6.070 -3.760 11.408 1.00 0.00 C ATOM 179 C ALA A 13 6.033 -2.237 11.584 1.00 0.00 C ATOM 180 O ALA A 13 7.052 -1.631 11.900 1.00 0.00 O ATOM 181 CB ALA A 13 6.801 -4.131 10.113 1.00 0.00 C ATOM 0 H ALA A 13 4.321 -4.372 10.444 1.00 0.00 H new ATOM 0 HA ALA A 13 6.602 -4.163 12.269 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.802 -3.700 10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.873 -5.216 10.034 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.248 -3.741 9.258 1.00 0.00 H new ATOM 187 N GLY A 14 4.886 -1.603 11.336 1.00 0.00 N ATOM 188 CA GLY A 14 4.735 -0.162 11.271 1.00 0.00 C ATOM 189 C GLY A 14 5.515 0.470 10.122 1.00 0.00 C ATOM 190 O GLY A 14 5.565 1.699 10.048 1.00 0.00 O ATOM 0 H GLY A 14 4.012 -2.102 11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.678 0.082 11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.068 0.275 12.212 1.00 0.00 H new ATOM 194 N SER A 15 6.140 -0.302 9.226 1.00 0.00 N ATOM 195 CA SER A 15 6.878 0.221 8.090 1.00 0.00 C ATOM 196 C SER A 15 7.258 -0.902 7.112 1.00 0.00 C ATOM 197 O SER A 15 7.027 -2.085 7.375 1.00 0.00 O ATOM 198 CB SER A 15 8.081 1.024 8.620 1.00 0.00 C ATOM 199 OG SER A 15 9.051 0.251 9.306 1.00 0.00 O ATOM 0 H SER A 15 6.142 -1.321 9.278 1.00 0.00 H new ATOM 0 HA SER A 15 6.258 0.900 7.505 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.563 1.527 7.782 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.715 1.802 9.290 1.00 0.00 H new ATOM 0 HG SER A 15 9.780 0.833 9.608 1.00 0.00 H new ATOM 205 N TYR A 16 7.804 -0.534 5.954 1.00 0.00 N ATOM 206 CA TYR A 16 8.359 -1.404 4.926 1.00 0.00 C ATOM 207 C TYR A 16 9.719 -0.799 4.561 1.00 0.00 C ATOM 208 O TYR A 16 10.257 -0.005 5.324 1.00 0.00 O ATOM 209 CB TYR A 16 7.406 -1.561 3.736 1.00 0.00 C ATOM 210 CG TYR A 16 7.658 -2.780 2.852 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.449 -4.062 3.396 1.00 0.00 C ATOM 212 CD2 TYR A 16 8.039 -2.658 1.493 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.560 -5.206 2.591 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.136 -3.804 0.677 1.00 0.00 C ATOM 215 CZ TYR A 16 7.889 -5.083 1.225 1.00 0.00 C ATOM 216 OH TYR A 16 7.893 -6.187 0.429 1.00 0.00 O ATOM 0 H TYR A 16 7.874 0.450 5.694 1.00 0.00 H new ATOM 0 HA TYR A 16 8.492 -2.426 5.281 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.385 -1.612 4.114 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.472 -0.665 3.118 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.201 -4.166 4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.256 -1.684 1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.393 -6.184 3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.399 -3.704 -0.366 1.00 0.00 H new ATOM 0 HH TYR A 16 8.139 -5.931 -0.484 1.00 0.00 H new ATOM 226 N ARG A 17 10.298 -1.171 3.417 1.00 0.00 N ATOM 227 CA ARG A 17 11.719 -1.044 3.091 1.00 0.00 C ATOM 228 C ARG A 17 12.300 0.295 3.535 1.00 0.00 C ATOM 229 O ARG A 17 13.075 0.320 4.487 1.00 0.00 O ATOM 230 CB ARG A 17 11.844 -1.195 1.575 1.00 0.00 C ATOM 231 CG ARG A 17 11.537 -2.632 1.138 1.00 0.00 C ATOM 232 CD ARG A 17 12.649 -3.210 0.284 1.00 0.00 C ATOM 233 NE ARG A 17 13.905 -3.371 1.041 1.00 0.00 N ATOM 234 CZ ARG A 17 15.139 -3.386 0.516 1.00 0.00 C ATOM 235 NH1 ARG A 17 15.330 -3.454 -0.798 1.00 0.00 N ATOM 236 NH2 ARG A 17 16.189 -3.336 1.324 1.00 0.00 N ATOM 0 H ARG A 17 9.762 -1.589 2.657 1.00 0.00 H new ATOM 0 HA ARG A 17 12.283 -1.812 3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.159 -0.507 1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.852 -0.923 1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.393 -3.257 2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.602 -2.650 0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.337 -4.177 -0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.824 -2.559 -0.572 1.00 0.00 H new ATOM 0 HE ARG A 17 13.828 -3.480 2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.529 -3.496 -1.428 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.277 -3.464 -1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.054 -3.287 2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.132 -3.347 0.936 1.00 0.00 H new ATOM 250 N ASP A 18 11.883 1.382 2.898 1.00 0.00 N ATOM 251 CA ASP A 18 12.198 2.752 3.312 1.00 0.00 C ATOM 252 C ASP A 18 10.929 3.518 3.701 1.00 0.00 C ATOM 253 O ASP A 18 10.992 4.675 4.107 1.00 0.00 O ATOM 254 CB ASP A 18 12.892 3.446 2.137 1.00 0.00 C ATOM 255 CG ASP A 18 13.527 4.777 2.525 1.00 0.00 C ATOM 256 OD1 ASP A 18 14.623 4.722 3.119 1.00 0.00 O ATOM 257 OD2 ASP A 18 12.973 5.836 2.144 1.00 0.00 O ATOM 0 H ASP A 18 11.303 1.339 2.060 1.00 0.00 H new ATOM 0 HA ASP A 18 12.847 2.732 4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.661 2.786 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.167 3.614 1.341 1.00 0.00 H new ATOM 262 N TRP A 19 9.761 2.896 3.509 1.00 0.00 N ATOM 263 CA TRP A 19 8.450 3.522 3.647 1.00 0.00 C ATOM 264 C TRP A 19 7.890 3.300 5.043 1.00 0.00 C ATOM 265 O TRP A 19 8.196 2.309 5.695 1.00 0.00 O ATOM 266 CB TRP A 19 7.466 2.910 2.657 1.00 0.00 C ATOM 267 CG TRP A 19 7.791 2.976 1.200 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.849 2.400 0.596 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.007 3.588 0.136 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.820 2.662 -0.755 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.707 3.401 -1.095 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.764 4.257 0.089 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.187 3.838 -2.317 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.254 4.729 -1.122 1.00 0.00 C ATOM 275 CH2 TRP A 19 5.953 4.507 -2.321 1.00 0.00 C ATOM 0 H TRP A 19 9.705 1.912 3.245 1.00 0.00 H new ATOM 0 HA TRP A 19 8.576 4.588 3.457 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.338 1.860 2.922 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.501 3.396 2.804 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.608 1.818 1.098 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.529 2.350 -1.418 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.202 4.405 0.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.723 3.665 -3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.318 5.267 -1.138 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.536 4.855 -3.255 1.00 0.00 H new ATOM 286 N SER A 20 6.946 4.142 5.427 1.00 0.00 N ATOM 287 CA SER A 20 6.335 4.273 6.733 1.00 0.00 C ATOM 288 C SER A 20 4.869 3.874 6.630 1.00 0.00 C ATOM 289 O SER A 20 4.207 4.312 5.689 1.00 0.00 O ATOM 290 CB SER A 20 6.424 5.759 7.062 1.00 0.00 C ATOM 291 OG SER A 20 7.748 6.135 7.423 1.00 0.00 O ATOM 0 H SER A 20 6.553 4.813 4.767 1.00 0.00 H new ATOM 0 HA SER A 20 6.817 3.651 7.487 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.101 6.343 6.201 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.742 5.993 7.880 1.00 0.00 H new ATOM 0 HG SER A 20 7.772 7.093 7.626 1.00 0.00 H new ATOM 297 N TYR A 21 4.352 3.054 7.550 1.00 0.00 N ATOM 298 CA TYR A 21 2.922 2.761 7.608 1.00 0.00 C ATOM 299 C TYR A 21 2.137 4.019 8.027 1.00 0.00 C ATOM 300 O TYR A 21 2.719 5.032 8.427 1.00 0.00 O ATOM 301 CB TYR A 21 2.727 1.560 8.542 1.00 0.00 C ATOM 302 CG TYR A 21 1.291 1.083 8.684 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.683 0.370 7.629 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.554 1.369 9.848 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.651 -0.060 7.736 1.00 0.00 C ATOM 306 CE2 TYR A 21 -0.786 0.956 9.955 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.394 0.246 8.898 1.00 0.00 C ATOM 308 OH TYR A 21 -2.700 -0.115 9.000 1.00 0.00 O ATOM 0 H TYR A 21 4.906 2.582 8.265 1.00 0.00 H new ATOM 0 HA TYR A 21 2.524 2.489 6.630 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.334 0.732 8.176 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.106 1.822 9.530 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.246 0.153 6.733 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.019 1.907 10.661 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.106 -0.622 6.934 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.351 1.183 10.847 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.053 0.175 9.867 1.00 0.00 H new ATOM 318 N SER A 22 0.816 4.003 7.858 1.00 0.00 N ATOM 319 CA SER A 22 -0.115 5.071 8.142 1.00 0.00 C ATOM 320 C SER A 22 -1.420 4.432 8.625 1.00 0.00 C ATOM 321 O SER A 22 -1.456 3.961 9.760 1.00 0.00 O ATOM 322 CB SER A 22 -0.224 5.983 6.926 1.00 0.00 C ATOM 323 OG SER A 22 1.016 6.655 6.773 1.00 0.00 O ATOM 0 H SER A 22 0.343 3.177 7.491 1.00 0.00 H new ATOM 0 HA SER A 22 0.215 5.730 8.945 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.456 5.402 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.033 6.701 7.059 1.00 0.00 H new ATOM 0 HG SER A 22 1.668 6.287 7.406 1.00 0.00 H new ATOM 329 N GLY A 23 -2.512 4.489 7.858 1.00 0.00 N ATOM 330 CA GLY A 23 -3.764 3.819 8.207 1.00 0.00 C ATOM 331 C GLY A 23 -4.945 4.785 8.283 1.00 0.00 C ATOM 332 O GLY A 23 -6.077 4.358 8.511 1.00 0.00 O ATOM 0 H GLY A 23 -2.551 5.002 6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.977 3.047 7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.648 3.317 9.167 1.00 0.00 H new ATOM 336 N GLN A 24 -4.719 6.080 8.060 1.00 0.00 N ATOM 337 CA GLN A 24 -5.747 7.097 7.934 1.00 0.00 C ATOM 338 C GLN A 24 -6.697 6.722 6.793 1.00 0.00 C ATOM 339 O GLN A 24 -6.328 5.988 5.883 1.00 0.00 O ATOM 340 CB GLN A 24 -5.035 8.440 7.691 1.00 0.00 C ATOM 341 CG GLN A 24 -5.965 9.636 7.464 1.00 0.00 C ATOM 342 CD GLN A 24 -6.990 9.801 8.586 1.00 0.00 C ATOM 343 OE1 GLN A 24 -6.661 9.685 9.759 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.268 9.964 8.270 1.00 0.00 N ATOM 0 H GLN A 24 -3.777 6.457 7.959 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.355 7.178 8.835 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.395 8.654 8.547 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.383 8.336 6.824 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.369 10.545 7.384 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.487 9.512 6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.543 10.061 7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.975 9.993 9.004 1.00 0.00 H new ATOM 353 N ARG A 25 -7.922 7.235 6.828 1.00 0.00 N ATOM 354 CA ARG A 25 -8.926 7.045 5.785 1.00 0.00 C ATOM 355 C ARG A 25 -9.055 8.362 5.034 1.00 0.00 C ATOM 356 O ARG A 25 -9.017 9.420 5.667 1.00 0.00 O ATOM 357 CB ARG A 25 -10.287 6.657 6.384 1.00 0.00 C ATOM 358 CG ARG A 25 -10.267 5.551 7.454 1.00 0.00 C ATOM 359 CD ARG A 25 -10.735 4.177 6.968 1.00 0.00 C ATOM 360 NE ARG A 25 -11.793 3.642 7.827 1.00 0.00 N ATOM 361 CZ ARG A 25 -12.675 2.699 7.509 1.00 0.00 C ATOM 362 NH1 ARG A 25 -12.659 2.115 6.320 1.00 0.00 N ATOM 363 NH2 ARG A 25 -13.594 2.362 8.397 1.00 0.00 N ATOM 0 H ARG A 25 -8.254 7.810 7.603 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.619 6.237 5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.736 7.549 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.940 6.337 5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.252 5.457 7.840 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.898 5.860 8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.100 4.256 5.944 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.891 3.487 6.954 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.861 4.033 8.767 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.961 2.387 5.628 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.345 1.394 6.097 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.618 2.823 9.307 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -14.280 1.641 8.173 1.00 0.00 H new ATOM 377 N THR A 26 -9.225 8.307 3.724 1.00 0.00 N ATOM 378 CA THR A 26 -9.364 9.472 2.861 1.00 0.00 C ATOM 379 C THR A 26 -10.457 9.194 1.825 1.00 0.00 C ATOM 380 O THR A 26 -11.173 8.194 1.921 1.00 0.00 O ATOM 381 CB THR A 26 -8.005 9.874 2.245 1.00 0.00 C ATOM 382 OG1 THR A 26 -7.728 9.213 1.034 1.00 0.00 O ATOM 383 CG2 THR A 26 -6.793 9.692 3.160 1.00 0.00 C ATOM 0 H THR A 26 -9.272 7.425 3.214 1.00 0.00 H new ATOM 0 HA THR A 26 -9.678 10.339 3.441 1.00 0.00 H new ATOM 0 HB THR A 26 -8.143 10.942 2.074 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.858 9.508 0.692 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.890 10.002 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.918 10.301 4.055 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.705 8.643 3.444 1.00 0.00 H new ATOM 391 N GLU A 27 -10.644 10.092 0.858 1.00 0.00 N ATOM 392 CA GLU A 27 -11.497 9.854 -0.303 1.00 0.00 C ATOM 393 C GLU A 27 -10.928 8.749 -1.198 1.00 0.00 C ATOM 394 O GLU A 27 -11.666 7.982 -1.808 1.00 0.00 O ATOM 395 CB GLU A 27 -11.685 11.157 -1.103 1.00 0.00 C ATOM 396 CG GLU A 27 -10.532 11.618 -2.003 1.00 0.00 C ATOM 397 CD GLU A 27 -9.284 12.025 -1.201 1.00 0.00 C ATOM 398 OE1 GLU A 27 -8.539 11.174 -0.661 1.00 0.00 O ATOM 399 OE2 GLU A 27 -9.079 13.246 -1.028 1.00 0.00 O ATOM 0 H GLU A 27 -10.204 11.012 0.860 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.470 9.519 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.571 11.042 -1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.897 11.957 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.271 10.815 -2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.863 12.463 -2.607 1.00 0.00 H new ATOM 406 N LEU A 28 -9.601 8.696 -1.294 1.00 0.00 N ATOM 407 CA LEU A 28 -8.825 7.813 -2.144 1.00 0.00 C ATOM 408 C LEU A 28 -8.666 6.446 -1.517 1.00 0.00 C ATOM 409 O LEU A 28 -8.212 5.552 -2.227 1.00 0.00 O ATOM 410 CB LEU A 28 -7.437 8.426 -2.417 1.00 0.00 C ATOM 411 CG LEU A 28 -7.498 9.659 -3.333 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.251 10.525 -3.184 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.749 9.282 -4.786 1.00 0.00 C ATOM 0 H LEU A 28 -9.005 9.312 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.363 7.696 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.976 8.706 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.796 7.672 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.352 10.254 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.326 11.388 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.165 10.865 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.369 9.941 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.784 10.185 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.944 8.637 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.699 8.753 -4.866 1.00 0.00 H new ATOM 425 N GLY A 29 -9.062 6.253 -0.254 1.00 0.00 N ATOM 426 CA GLY A 29 -8.993 4.954 0.383 1.00 0.00 C ATOM 427 C GLY A 29 -8.368 5.010 1.775 1.00 0.00 C ATOM 428 O GLY A 29 -8.224 6.089 2.346 1.00 0.00 O ATOM 0 H GLY A 29 -9.435 6.992 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.997 4.537 0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.412 4.277 -0.244 1.00 0.00 H new ATOM 432 N VAL A 30 -8.014 3.859 2.360 1.00 0.00 N ATOM 433 CA VAL A 30 -7.082 3.865 3.494 1.00 0.00 C ATOM 434 C VAL A 30 -5.670 4.197 2.978 1.00 0.00 C ATOM 435 O VAL A 30 -5.245 3.621 1.971 1.00 0.00 O ATOM 436 CB VAL A 30 -7.110 2.502 4.213 1.00 0.00 C ATOM 437 CG1 VAL A 30 -5.992 2.349 5.248 1.00 0.00 C ATOM 438 CG2 VAL A 30 -8.412 2.325 4.994 1.00 0.00 C ATOM 0 H VAL A 30 -8.347 2.937 2.078 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.380 4.624 4.217 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.996 1.765 3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.065 1.369 5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.024 2.443 4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.090 3.125 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.408 1.356 5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.500 3.116 5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.258 2.377 4.308 1.00 0.00 H new ATOM 448 N GLU A 31 -4.938 5.075 3.671 1.00 0.00 N ATOM 449 CA GLU A 31 -3.511 5.317 3.503 1.00 0.00 C ATOM 450 C GLU A 31 -2.760 4.048 3.902 1.00 0.00 C ATOM 451 O GLU A 31 -2.857 3.581 5.037 1.00 0.00 O ATOM 452 CB GLU A 31 -3.011 6.466 4.399 1.00 0.00 C ATOM 453 CG GLU A 31 -3.436 7.867 3.935 1.00 0.00 C ATOM 454 CD GLU A 31 -2.670 9.002 4.640 1.00 0.00 C ATOM 455 OE1 GLU A 31 -1.829 8.726 5.526 1.00 0.00 O ATOM 456 OE2 GLU A 31 -2.892 10.186 4.297 1.00 0.00 O ATOM 0 H GLU A 31 -5.349 5.661 4.397 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.334 5.589 2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.379 6.306 5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.923 6.427 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.282 7.948 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.504 7.993 4.114 1.00 0.00 H new ATOM 463 N PHE A 32 -2.012 3.498 2.950 1.00 0.00 N ATOM 464 CA PHE A 32 -1.065 2.426 3.161 1.00 0.00 C ATOM 465 C PHE A 32 0.260 2.928 3.721 1.00 0.00 C ATOM 466 O PHE A 32 0.400 3.310 4.885 1.00 0.00 O ATOM 467 CB PHE A 32 -1.109 1.420 1.982 1.00 0.00 C ATOM 468 CG PHE A 32 -0.547 0.026 2.284 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.670 -0.568 3.562 1.00 0.00 C ATOM 470 CD2 PHE A 32 0.184 -0.668 1.297 1.00 0.00 C ATOM 471 CE1 PHE A 32 0.013 -1.753 3.878 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.877 -1.850 1.619 1.00 0.00 C ATOM 473 CZ PHE A 32 0.798 -2.401 2.912 1.00 0.00 C ATOM 0 H PHE A 32 -2.056 3.803 1.978 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.351 1.777 3.989 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.144 1.313 1.657 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.554 1.843 1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.299 -0.103 4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.212 -0.289 0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.066 -2.169 4.872 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.476 -2.340 0.866 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.332 -3.307 3.156 1.00 0.00 H new ATOM 483 N LEU A 33 1.221 2.803 2.857 1.00 0.00 N ATOM 484 CA LEU A 33 2.629 3.178 3.000 1.00 0.00 C ATOM 485 C LEU A 33 2.840 4.558 2.412 1.00 0.00 C ATOM 486 O LEU A 33 2.606 4.778 1.220 1.00 0.00 O ATOM 487 CB LEU A 33 3.605 2.205 2.324 1.00 0.00 C ATOM 488 CG LEU A 33 3.963 0.963 3.149 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.743 1.279 4.429 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.700 0.181 3.443 1.00 0.00 C ATOM 0 H LEU A 33 1.040 2.398 1.938 1.00 0.00 H new ATOM 0 HA LEU A 33 2.844 3.154 4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.173 1.881 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.524 2.742 2.088 1.00 0.00 H new ATOM 0 HG LEU A 33 4.642 0.355 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.961 0.353 4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.677 1.778 4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.147 1.931 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.948 -0.704 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.007 0.807 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.234 -0.124 2.506 1.00 0.00 H new ATOM 502 N LYS A 34 3.396 5.443 3.227 1.00 0.00 N ATOM 503 CA LYS A 34 3.919 6.733 2.827 1.00 0.00 C ATOM 504 C LYS A 34 5.422 6.621 2.676 1.00 0.00 C ATOM 505 O LYS A 34 6.061 5.874 3.413 1.00 0.00 O ATOM 506 CB LYS A 34 3.615 7.769 3.911 1.00 0.00 C ATOM 507 CG LYS A 34 2.181 8.301 3.840 1.00 0.00 C ATOM 508 CD LYS A 34 2.070 9.762 4.290 1.00 0.00 C ATOM 509 CE LYS A 34 2.640 10.709 3.225 1.00 0.00 C ATOM 510 NZ LYS A 34 2.923 12.050 3.767 1.00 0.00 N ATOM 0 H LYS A 34 3.497 5.270 4.227 1.00 0.00 H new ATOM 0 HA LYS A 34 3.460 7.038 1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.784 7.323 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.312 8.602 3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.815 8.211 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.537 7.682 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.026 10.009 4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.607 9.899 5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.556 10.284 2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.932 10.794 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.306 12.655 3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.045 12.468 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.618 11.974 4.537 1.00 0.00 H new ATOM 524 N ARG A 35 5.987 7.401 1.770 1.00 0.00 N ATOM 525 CA ARG A 35 7.400 7.728 1.654 1.00 0.00 C ATOM 526 C ARG A 35 7.455 9.052 0.888 1.00 0.00 C ATOM 527 O ARG A 35 6.409 9.628 0.592 1.00 0.00 O ATOM 528 CB ARG A 35 8.120 6.566 0.955 1.00 0.00 C ATOM 529 CG ARG A 35 9.634 6.564 1.139 1.00 0.00 C ATOM 530 CD ARG A 35 10.287 5.488 0.274 1.00 0.00 C ATOM 531 NE ARG A 35 11.592 5.948 -0.209 1.00 0.00 N ATOM 532 CZ ARG A 35 11.796 6.752 -1.255 1.00 0.00 C ATOM 533 NH1 ARG A 35 10.796 7.056 -2.076 1.00 0.00 N ATOM 534 NH2 ARG A 35 12.991 7.284 -1.463 1.00 0.00 N ATOM 0 H ARG A 35 5.432 7.855 1.045 1.00 0.00 H new ATOM 0 HA ARG A 35 7.909 7.855 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.719 5.626 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.895 6.603 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.038 7.542 0.876 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.877 6.390 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.407 4.571 0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.642 5.250 -0.572 1.00 0.00 H new ATOM 0 HE ARG A 35 12.416 5.626 0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.865 6.674 -1.909 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.960 7.671 -2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.759 7.080 -0.823 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.144 7.898 -2.263 1.00 0.00 H new ATOM 548 N GLY A 36 8.643 9.536 0.542 1.00 0.00 N ATOM 549 CA GLY A 36 8.871 10.837 -0.051 1.00 0.00 C ATOM 550 C GLY A 36 8.115 11.100 -1.318 1.00 0.00 C ATOM 551 O GLY A 36 8.549 10.740 -2.415 1.00 0.00 O ATOM 0 H GLY A 36 9.505 9.006 0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.605 11.603 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.937 10.945 -0.253 1.00 0.00 H new ATOM 555 N ASP A 37 7.020 11.798 -1.107 1.00 0.00 N ATOM 556 CA ASP A 37 6.019 12.282 -2.022 1.00 0.00 C ATOM 557 C ASP A 37 5.073 11.191 -2.521 1.00 0.00 C ATOM 558 O ASP A 37 4.273 11.423 -3.423 1.00 0.00 O ATOM 559 CB ASP A 37 6.590 13.205 -3.125 1.00 0.00 C ATOM 560 CG ASP A 37 6.373 14.683 -2.811 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.587 15.072 -1.639 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.169 15.484 -3.751 1.00 0.00 O ATOM 0 H ASP A 37 6.784 12.075 -0.154 1.00 0.00 H new ATOM 0 HA ASP A 37 5.375 12.939 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.657 13.013 -3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.118 12.965 -4.078 1.00 0.00 H new ATOM 567 N LYS A 38 5.142 9.989 -1.942 1.00 0.00 N ATOM 568 CA LYS A 38 4.548 8.772 -2.451 1.00 0.00 C ATOM 569 C LYS A 38 3.621 8.228 -1.378 1.00 0.00 C ATOM 570 O LYS A 38 4.078 7.898 -0.284 1.00 0.00 O ATOM 571 CB LYS A 38 5.658 7.773 -2.756 1.00 0.00 C ATOM 572 CG LYS A 38 6.705 8.235 -3.777 1.00 0.00 C ATOM 573 CD LYS A 38 6.253 8.238 -5.239 1.00 0.00 C ATOM 574 CE LYS A 38 5.876 6.849 -5.769 1.00 0.00 C ATOM 575 NZ LYS A 38 6.327 6.631 -7.157 1.00 0.00 N ATOM 0 H LYS A 38 5.640 9.842 -1.064 1.00 0.00 H new ATOM 0 HA LYS A 38 3.985 8.956 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.168 7.529 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.203 6.852 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.023 9.244 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.580 7.592 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.395 8.903 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.052 8.649 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.314 6.087 -5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.794 6.726 -5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.048 5.678 -7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.890 7.340 -7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.362 6.721 -7.204 1.00 0.00 H new ATOM 589 N ILE A 39 2.336 8.115 -1.680 1.00 0.00 N ATOM 590 CA ILE A 39 1.317 7.622 -0.770 1.00 0.00 C ATOM 591 C ILE A 39 0.614 6.472 -1.478 1.00 0.00 C ATOM 592 O ILE A 39 -0.056 6.676 -2.491 1.00 0.00 O ATOM 593 CB ILE A 39 0.322 8.724 -0.357 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.079 9.979 0.116 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.596 8.155 0.742 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.187 11.065 0.723 1.00 0.00 C ATOM 0 H ILE A 39 1.964 8.372 -2.594 1.00 0.00 H new ATOM 0 HA ILE A 39 1.775 7.284 0.160 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.289 9.028 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.823 9.682 0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.621 10.402 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.310 8.918 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.134 7.290 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.006 7.854 1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.802 11.912 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.541 11.394 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.335 10.663 1.591 1.00 0.00 H new ATOM 608 N VAL A 40 0.802 5.260 -0.971 1.00 0.00 N ATOM 609 CA VAL A 40 0.059 4.097 -1.434 1.00 0.00 C ATOM 610 C VAL A 40 -1.297 4.115 -0.728 1.00 0.00 C ATOM 611 O VAL A 40 -1.392 4.531 0.431 1.00 0.00 O ATOM 612 CB VAL A 40 0.877 2.801 -1.174 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.234 1.542 -1.773 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.286 2.880 -1.760 1.00 0.00 C ATOM 0 H VAL A 40 1.472 5.057 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.111 4.123 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 40 0.903 2.725 -0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.858 0.675 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.755 1.397 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.142 1.659 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.819 1.952 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.224 3.030 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.822 3.714 -1.308 1.00 0.00 H new ATOM 624 N TYR A 41 -2.325 3.611 -1.401 1.00 0.00 N ATOM 625 CA TYR A 41 -3.661 3.348 -0.893 1.00 0.00 C ATOM 626 C TYR A 41 -3.964 1.860 -1.114 1.00 0.00 C ATOM 627 O TYR A 41 -3.474 1.287 -2.087 1.00 0.00 O ATOM 628 CB TYR A 41 -4.634 4.306 -1.610 1.00 0.00 C ATOM 629 CG TYR A 41 -4.426 5.734 -1.167 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.445 6.542 -1.770 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.179 6.227 -0.090 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.281 7.872 -1.346 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.990 7.536 0.366 1.00 0.00 C ATOM 634 CZ TYR A 41 -4.065 8.379 -0.278 1.00 0.00 C ATOM 635 OH TYR A 41 -3.949 9.662 0.159 1.00 0.00 O ATOM 0 H TYR A 41 -2.238 3.359 -2.385 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.762 3.535 0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.491 4.233 -2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.661 4.005 -1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.821 6.142 -2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.909 5.592 0.390 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.558 8.508 -1.834 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.554 7.900 1.212 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.574 9.814 0.898 1.00 0.00 H new ATOM 645 N HIS A 42 -4.743 1.228 -0.227 1.00 0.00 N ATOM 646 CA HIS A 42 -5.283 -0.122 -0.401 1.00 0.00 C ATOM 647 C HIS A 42 -6.799 -0.186 -0.205 1.00 0.00 C ATOM 648 O HIS A 42 -7.329 0.421 0.735 1.00 0.00 O ATOM 649 CB HIS A 42 -4.590 -1.093 0.557 1.00 0.00 C ATOM 650 CG HIS A 42 -5.050 -1.011 1.989 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.207 -1.569 2.496 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.448 -0.310 2.993 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.309 -1.183 3.776 1.00 0.00 C ATOM 654 NE2 HIS A 42 -5.248 -0.437 4.126 1.00 0.00 N ATOM 0 H HIS A 42 -5.022 1.656 0.656 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.083 -0.412 -1.433 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.749 -2.110 0.198 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.516 -0.908 0.525 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.863 -2.165 1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.522 0.241 2.922 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.128 -1.436 4.433 1.00 0.00 H new ATOM 662 N THR A 43 -7.518 -0.879 -1.079 1.00 0.00 N ATOM 663 CA THR A 43 -8.968 -0.774 -1.075 1.00 0.00 C ATOM 664 C THR A 43 -9.575 -1.451 0.163 1.00 0.00 C ATOM 665 O THR A 43 -8.962 -2.311 0.803 1.00 0.00 O ATOM 666 CB THR A 43 -9.542 -1.242 -2.425 1.00 0.00 C ATOM 667 OG1 THR A 43 -9.117 -2.535 -2.793 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.075 -0.280 -3.520 1.00 0.00 C ATOM 0 H THR A 43 -7.130 -1.506 -1.784 1.00 0.00 H new ATOM 0 HA THR A 43 -9.262 0.271 -0.981 1.00 0.00 H new ATOM 0 HB THR A 43 -10.626 -1.259 -2.315 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.514 -2.777 -3.656 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.475 -0.601 -4.482 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.431 0.726 -3.297 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.986 -0.279 -3.563 1.00 0.00 H new ATOM 676 N LEU A 44 -10.781 -1.009 0.528 1.00 0.00 N ATOM 677 CA LEU A 44 -11.567 -1.472 1.676 1.00 0.00 C ATOM 678 C LEU A 44 -12.263 -2.830 1.473 1.00 0.00 C ATOM 679 O LEU A 44 -12.966 -3.305 2.366 1.00 0.00 O ATOM 680 CB LEU A 44 -12.680 -0.455 1.972 1.00 0.00 C ATOM 681 CG LEU A 44 -12.267 0.986 2.317 1.00 0.00 C ATOM 682 CD1 LEU A 44 -13.367 1.645 3.153 1.00 0.00 C ATOM 683 CD2 LEU A 44 -10.973 1.087 3.116 1.00 0.00 C ATOM 0 H LEU A 44 -11.262 -0.279 0.003 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.847 -1.579 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.336 -0.415 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.273 -0.840 2.802 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.111 1.484 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.075 2.666 3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.297 1.660 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.513 1.079 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.751 2.135 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.085 0.551 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.156 0.648 2.543 1.00 0.00 H new ATOM 695 N GLU A 45 -12.179 -3.399 0.282 1.00 0.00 N ATOM 696 CA GLU A 45 -12.775 -4.673 -0.128 1.00 0.00 C ATOM 697 C GLU A 45 -11.668 -5.653 -0.501 1.00 0.00 C ATOM 698 O GLU A 45 -10.493 -5.334 -0.320 1.00 0.00 O ATOM 699 CB GLU A 45 -13.737 -4.441 -1.304 1.00 0.00 C ATOM 700 CG GLU A 45 -13.026 -3.877 -2.546 1.00 0.00 C ATOM 701 CD GLU A 45 -13.800 -4.169 -3.829 1.00 0.00 C ATOM 702 OE1 GLU A 45 -15.048 -4.043 -3.827 1.00 0.00 O ATOM 703 OE2 GLU A 45 -13.147 -4.477 -4.847 1.00 0.00 O ATOM 0 H GLU A 45 -11.660 -2.960 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.347 -5.099 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.222 -5.382 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.523 -3.752 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.901 -2.800 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.027 -4.308 -2.619 1.00 0.00 H new ATOM 710 N SER A 46 -12.041 -6.814 -1.038 1.00 0.00 N ATOM 711 CA SER A 46 -11.111 -7.774 -1.589 1.00 0.00 C ATOM 712 C SER A 46 -11.523 -8.152 -3.020 1.00 0.00 C ATOM 713 O SER A 46 -12.727 -8.229 -3.311 1.00 0.00 O ATOM 714 CB SER A 46 -11.054 -9.012 -0.703 1.00 0.00 C ATOM 715 OG SER A 46 -10.740 -8.639 0.625 1.00 0.00 O ATOM 0 H SER A 46 -13.015 -7.110 -1.099 1.00 0.00 H new ATOM 0 HA SER A 46 -10.118 -7.326 -1.625 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.012 -9.532 -0.727 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.305 -9.707 -1.082 1.00 0.00 H new ATOM 0 HG SER A 46 -10.259 -9.371 1.065 1.00 0.00 H new ATOM 721 N PRO A 47 -10.551 -8.494 -3.884 1.00 0.00 N ATOM 722 CA PRO A 47 -9.128 -8.412 -3.595 1.00 0.00 C ATOM 723 C PRO A 47 -8.677 -6.957 -3.532 1.00 0.00 C ATOM 724 O PRO A 47 -9.329 -6.050 -4.044 1.00 0.00 O ATOM 725 CB PRO A 47 -8.412 -9.138 -4.721 1.00 0.00 C ATOM 726 CG PRO A 47 -9.368 -8.941 -5.892 1.00 0.00 C ATOM 727 CD PRO A 47 -10.757 -8.908 -5.255 1.00 0.00 C ATOM 0 HA PRO A 47 -8.901 -8.863 -2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.430 -8.710 -4.921 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.260 -10.193 -4.493 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.155 -8.015 -6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.282 -9.753 -6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.412 -8.212 -5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.232 -9.888 -5.301 1.00 0.00 H new ATOM 735 N VAL A 48 -7.563 -6.760 -2.847 1.00 0.00 N ATOM 736 CA VAL A 48 -7.160 -5.458 -2.382 1.00 0.00 C ATOM 737 C VAL A 48 -6.308 -4.826 -3.488 1.00 0.00 C ATOM 738 O VAL A 48 -5.244 -5.340 -3.853 1.00 0.00 O ATOM 739 CB VAL A 48 -6.474 -5.648 -1.019 1.00 0.00 C ATOM 740 CG1 VAL A 48 -6.024 -4.329 -0.434 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.381 -6.313 0.017 1.00 0.00 C ATOM 0 H VAL A 48 -6.914 -7.508 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.978 -4.761 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.620 -6.294 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.544 -4.503 0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.316 -3.853 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.888 -3.678 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.841 -6.420 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.266 -5.697 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.683 -7.297 -0.342 1.00 0.00 H new ATOM 751 N GLU A 49 -6.797 -3.742 -4.084 1.00 0.00 N ATOM 752 CA GLU A 49 -6.172 -3.076 -5.221 1.00 0.00 C ATOM 753 C GLU A 49 -5.320 -1.912 -4.765 1.00 0.00 C ATOM 754 O GLU A 49 -5.779 -1.032 -4.040 1.00 0.00 O ATOM 755 CB GLU A 49 -7.197 -2.622 -6.251 1.00 0.00 C ATOM 756 CG GLU A 49 -7.607 -3.818 -7.110 1.00 0.00 C ATOM 757 CD GLU A 49 -7.768 -3.463 -8.589 1.00 0.00 C ATOM 758 OE1 GLU A 49 -6.764 -3.602 -9.330 1.00 0.00 O ATOM 759 OE2 GLU A 49 -8.883 -3.128 -9.054 1.00 0.00 O ATOM 0 H GLU A 49 -7.661 -3.292 -3.781 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.526 -3.808 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.070 -2.201 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.777 -1.835 -6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.859 -4.604 -7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.547 -4.223 -6.735 1.00 0.00 H new ATOM 766 N PHE A 50 -4.020 -2.011 -5.016 1.00 0.00 N ATOM 767 CA PHE A 50 -3.044 -1.084 -4.444 1.00 0.00 C ATOM 768 C PHE A 50 -2.907 0.062 -5.409 1.00 0.00 C ATOM 769 O PHE A 50 -2.583 -0.189 -6.568 1.00 0.00 O ATOM 770 CB PHE A 50 -1.681 -1.746 -4.250 1.00 0.00 C ATOM 771 CG PHE A 50 -1.728 -2.962 -3.352 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.856 -2.785 -1.965 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.767 -4.259 -3.904 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.082 -3.901 -1.145 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.886 -5.375 -3.056 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.013 -5.199 -1.674 1.00 0.00 C ATOM 0 H PHE A 50 -3.613 -2.728 -5.616 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.386 -0.753 -3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.284 -2.037 -5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.988 -1.018 -3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.781 -1.798 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.706 -4.395 -4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.311 -3.760 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.879 -6.371 -3.473 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.058 -6.056 -1.019 1.00 0.00 H new ATOM 786 N HIS A 51 -3.153 1.294 -4.981 1.00 0.00 N ATOM 787 CA HIS A 51 -2.954 2.446 -5.848 1.00 0.00 C ATOM 788 C HIS A 51 -1.804 3.249 -5.293 1.00 0.00 C ATOM 789 O HIS A 51 -1.604 3.292 -4.083 1.00 0.00 O ATOM 790 CB HIS A 51 -4.195 3.336 -5.978 1.00 0.00 C ATOM 791 CG HIS A 51 -5.535 2.635 -6.005 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.776 1.356 -6.427 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -6.747 3.165 -5.620 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -7.135 1.097 -6.318 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -7.674 2.203 -5.789 1.00 0.00 N flip ATOM 0 H HIS A 51 -3.489 1.519 -4.045 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.744 2.079 -6.852 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.197 4.041 -5.147 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.099 3.922 -6.892 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.921 4.165 -5.252 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.651 0.191 -6.601 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.659 2.304 -5.546 1.00 0.00 H new ATOM 803 N LEU A 52 -1.068 3.920 -6.163 1.00 0.00 N ATOM 804 CA LEU A 52 0.007 4.804 -5.757 1.00 0.00 C ATOM 805 C LEU A 52 0.116 5.869 -6.817 1.00 0.00 C ATOM 806 O LEU A 52 0.158 5.538 -7.998 1.00 0.00 O ATOM 807 CB LEU A 52 1.312 4.008 -5.667 1.00 0.00 C ATOM 808 CG LEU A 52 2.565 4.883 -5.491 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.537 5.802 -4.267 1.00 0.00 C ATOM 810 CD2 LEU A 52 3.780 3.965 -5.411 1.00 0.00 C ATOM 0 H LEU A 52 -1.201 3.866 -7.173 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.186 5.250 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.245 3.313 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.423 3.408 -6.570 1.00 0.00 H new ATOM 0 HG LEU A 52 2.607 5.549 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.460 6.380 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.687 6.481 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.444 5.201 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.682 4.565 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.672 3.291 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.857 3.382 -6.329 1.00 0.00 H new ATOM 822 N ASP A 53 0.160 7.132 -6.406 1.00 0.00 N ATOM 823 CA ASP A 53 0.397 8.293 -7.261 1.00 0.00 C ATOM 824 C ASP A 53 -0.752 8.585 -8.233 1.00 0.00 C ATOM 825 O ASP A 53 -0.815 9.675 -8.793 1.00 0.00 O ATOM 826 CB ASP A 53 1.777 8.190 -7.936 1.00 0.00 C ATOM 827 CG ASP A 53 2.144 9.474 -8.675 1.00 0.00 C ATOM 828 OD1 ASP A 53 2.289 10.513 -7.990 1.00 0.00 O ATOM 829 OD2 ASP A 53 2.331 9.418 -9.912 1.00 0.00 O ATOM 0 H ASP A 53 0.026 7.387 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 53 0.417 9.175 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.535 7.975 -7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.778 7.355 -8.636 1.00 0.00 H new ATOM 834 N GLY A 54 -1.728 7.679 -8.339 1.00 0.00 N ATOM 835 CA GLY A 54 -2.828 7.718 -9.286 1.00 0.00 C ATOM 836 C GLY A 54 -2.864 6.469 -10.165 1.00 0.00 C ATOM 837 O GLY A 54 -3.770 6.328 -10.988 1.00 0.00 O ATOM 0 H GLY A 54 -1.767 6.860 -7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.770 7.809 -8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.735 8.603 -9.915 1.00 0.00 H new ATOM 841 N GLU A 55 -1.940 5.527 -9.974 1.00 0.00 N ATOM 842 CA GLU A 55 -1.816 4.294 -10.734 1.00 0.00 C ATOM 843 C GLU A 55 -2.176 3.144 -9.802 1.00 0.00 C ATOM 844 O GLU A 55 -1.533 2.940 -8.776 1.00 0.00 O ATOM 845 CB GLU A 55 -0.381 4.139 -11.273 1.00 0.00 C ATOM 846 CG GLU A 55 -0.311 4.419 -12.780 1.00 0.00 C ATOM 847 CD GLU A 55 1.125 4.420 -13.320 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.969 3.630 -12.840 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.454 5.219 -14.228 1.00 0.00 O ATOM 0 H GLU A 55 -1.227 5.612 -9.250 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.485 4.302 -11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.283 4.823 -10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.024 3.129 -11.073 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.893 3.667 -13.312 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.773 5.385 -12.987 1.00 0.00 H new ATOM 856 N VAL A 56 -3.226 2.403 -10.135 1.00 0.00 N ATOM 857 CA VAL A 56 -3.473 1.085 -9.563 1.00 0.00 C ATOM 858 C VAL A 56 -2.328 0.175 -10.009 1.00 0.00 C ATOM 859 O VAL A 56 -2.221 -0.132 -11.203 1.00 0.00 O ATOM 860 CB VAL A 56 -4.838 0.511 -9.988 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.136 -0.792 -9.232 1.00 0.00 C ATOM 862 CG2 VAL A 56 -5.957 1.550 -9.839 1.00 0.00 C ATOM 0 H VAL A 56 -3.931 2.699 -10.810 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.509 1.157 -8.476 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.792 0.264 -11.049 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.104 -1.182 -9.546 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.361 -1.526 -9.452 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.155 -0.595 -8.160 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.905 1.110 -10.148 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.025 1.865 -8.798 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.737 2.414 -10.466 1.00 0.00 H new ATOM 872 N LEU A 57 -1.476 -0.227 -9.072 1.00 0.00 N ATOM 873 CA LEU A 57 -0.397 -1.189 -9.231 1.00 0.00 C ATOM 874 C LEU A 57 -0.951 -2.609 -9.068 1.00 0.00 C ATOM 875 O LEU A 57 -2.162 -2.801 -8.908 1.00 0.00 O ATOM 876 CB LEU A 57 0.703 -0.908 -8.188 1.00 0.00 C ATOM 877 CG LEU A 57 1.161 0.566 -8.110 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.179 0.733 -6.978 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.735 1.059 -9.443 1.00 0.00 C ATOM 0 H LEU A 57 -1.526 0.136 -8.120 1.00 0.00 H new ATOM 0 HA LEU A 57 0.038 -1.097 -10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.340 -1.213 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.568 -1.531 -8.416 1.00 0.00 H new ATOM 0 HG LEU A 57 0.287 1.181 -7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.499 1.774 -6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.720 0.447 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.043 0.097 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.044 2.099 -9.343 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.596 0.449 -9.716 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.973 0.980 -10.219 1.00 0.00 H new ATOM 891 N SER A 58 -0.085 -3.616 -9.145 1.00 0.00 N ATOM 892 CA SER A 58 -0.381 -4.994 -8.781 1.00 0.00 C ATOM 893 C SER A 58 0.208 -5.265 -7.403 1.00 0.00 C ATOM 894 O SER A 58 1.017 -4.473 -6.917 1.00 0.00 O ATOM 895 CB SER A 58 0.214 -5.930 -9.829 1.00 0.00 C ATOM 896 OG SER A 58 0.024 -5.416 -11.129 1.00 0.00 O ATOM 0 H SER A 58 0.872 -3.489 -9.473 1.00 0.00 H new ATOM 0 HA SER A 58 -1.457 -5.164 -8.746 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.279 -6.065 -9.639 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.251 -6.913 -9.751 1.00 0.00 H new ATOM 0 HG SER A 58 -0.500 -6.052 -11.659 1.00 0.00 H new ATOM 902 N LEU A 59 -0.145 -6.387 -6.778 1.00 0.00 N ATOM 903 CA LEU A 59 0.319 -6.681 -5.427 1.00 0.00 C ATOM 904 C LEU A 59 1.799 -6.964 -5.443 1.00 0.00 C ATOM 905 O LEU A 59 2.583 -6.447 -4.652 1.00 0.00 O ATOM 906 CB LEU A 59 -0.428 -7.908 -4.888 1.00 0.00 C ATOM 907 CG LEU A 59 -0.039 -8.347 -3.454 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.904 -9.510 -3.402 1.00 0.00 C ATOM 909 CD2 LEU A 59 0.451 -7.334 -2.417 1.00 0.00 C ATOM 0 H LEU A 59 -0.748 -7.103 -7.184 1.00 0.00 H new ATOM 0 HA LEU A 59 0.125 -5.821 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.498 -7.699 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.254 -8.744 -5.565 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.055 -8.593 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.125 -9.753 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.446 -10.372 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.828 -9.252 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.669 -7.848 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.355 -6.847 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.322 -6.584 -2.247 1.00 0.00 H new ATOM 921 N ASP A 60 2.155 -7.856 -6.347 1.00 0.00 N ATOM 922 CA ASP A 60 3.494 -8.387 -6.371 1.00 0.00 C ATOM 923 C ASP A 60 4.456 -7.335 -6.913 1.00 0.00 C ATOM 924 O ASP A 60 5.567 -7.165 -6.413 1.00 0.00 O ATOM 925 CB ASP A 60 3.506 -9.631 -7.247 1.00 0.00 C ATOM 926 CG ASP A 60 3.711 -10.841 -6.340 1.00 0.00 C ATOM 927 OD1 ASP A 60 4.791 -11.021 -5.729 1.00 0.00 O ATOM 928 OD2 ASP A 60 2.719 -11.544 -6.067 1.00 0.00 O ATOM 0 H ASP A 60 1.535 -8.224 -7.069 1.00 0.00 H new ATOM 0 HA ASP A 60 3.814 -8.652 -5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.569 -9.720 -7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.304 -9.569 -7.987 1.00 0.00 H new ATOM 933 N LYS A 61 3.966 -6.580 -7.907 1.00 0.00 N ATOM 934 CA LYS A 61 4.620 -5.401 -8.449 1.00 0.00 C ATOM 935 C LYS A 61 4.893 -4.454 -7.318 1.00 0.00 C ATOM 936 O LYS A 61 6.048 -4.100 -7.140 1.00 0.00 O ATOM 937 CB LYS A 61 3.737 -4.668 -9.466 1.00 0.00 C ATOM 938 CG LYS A 61 3.736 -5.294 -10.858 1.00 0.00 C ATOM 939 CD LYS A 61 3.139 -4.326 -11.892 1.00 0.00 C ATOM 940 CE LYS A 61 2.897 -4.972 -13.267 1.00 0.00 C ATOM 941 NZ LYS A 61 1.465 -5.247 -13.519 1.00 0.00 N ATOM 0 H LYS A 61 3.077 -6.787 -8.363 1.00 0.00 H new ATOM 0 HA LYS A 61 5.533 -5.723 -8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.714 -4.642 -9.091 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.074 -3.634 -9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.755 -5.556 -11.144 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.160 -6.219 -10.845 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.195 -3.936 -11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.810 -3.475 -12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.280 -4.314 -14.047 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.459 -5.903 -13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.370 -6.142 -14.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.960 -5.318 -12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.057 -4.474 -14.083 1.00 0.00 H new ATOM 955 N LEU A 62 3.853 -4.047 -6.579 1.00 0.00 N ATOM 956 CA LEU A 62 3.941 -3.064 -5.521 1.00 0.00 C ATOM 957 C LEU A 62 5.161 -3.371 -4.670 1.00 0.00 C ATOM 958 O LEU A 62 6.015 -2.511 -4.535 1.00 0.00 O ATOM 959 CB LEU A 62 2.662 -3.027 -4.673 1.00 0.00 C ATOM 960 CG LEU A 62 2.787 -2.167 -3.404 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.974 -0.678 -3.706 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.570 -2.315 -2.496 1.00 0.00 C ATOM 0 H LEU A 62 2.909 -4.409 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 62 4.046 -2.073 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.844 -2.643 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.397 -4.045 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 62 3.679 -2.540 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.056 -0.124 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.882 -0.537 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.117 -0.311 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.698 -1.691 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.675 -2.002 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.466 -3.357 -2.194 1.00 0.00 H new ATOM 974 N LYS A 63 5.295 -4.601 -4.158 1.00 0.00 N ATOM 975 CA LYS A 63 6.447 -4.954 -3.330 1.00 0.00 C ATOM 976 C LYS A 63 7.784 -4.610 -3.985 1.00 0.00 C ATOM 977 O LYS A 63 8.647 -4.027 -3.332 1.00 0.00 O ATOM 978 CB LYS A 63 6.424 -6.441 -2.948 1.00 0.00 C ATOM 979 CG LYS A 63 5.204 -6.810 -2.101 1.00 0.00 C ATOM 980 CD LYS A 63 5.182 -8.307 -1.806 1.00 0.00 C ATOM 981 CE LYS A 63 3.855 -8.674 -1.137 1.00 0.00 C ATOM 982 NZ LYS A 63 3.841 -10.078 -0.677 1.00 0.00 N ATOM 0 H LYS A 63 4.627 -5.358 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 63 6.360 -4.348 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.429 -7.046 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.332 -6.685 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.222 -6.251 -1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.292 -6.525 -2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.305 -8.873 -2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.015 -8.573 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.681 -8.012 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.037 -8.514 -1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.926 -10.288 -0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.982 -10.711 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.605 -10.225 0.013 1.00 0.00 H new ATOM 996 N SER A 64 7.942 -4.943 -5.263 1.00 0.00 N ATOM 997 CA SER A 64 9.109 -4.576 -6.043 1.00 0.00 C ATOM 998 C SER A 64 9.244 -3.050 -6.165 1.00 0.00 C ATOM 999 O SER A 64 10.322 -2.512 -5.947 1.00 0.00 O ATOM 1000 CB SER A 64 9.030 -5.273 -7.404 1.00 0.00 C ATOM 1001 OG SER A 64 10.311 -5.354 -7.994 1.00 0.00 O ATOM 0 H SER A 64 7.253 -5.481 -5.788 1.00 0.00 H new ATOM 0 HA SER A 64 10.014 -4.911 -5.536 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.615 -6.274 -7.283 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.355 -4.725 -8.061 1.00 0.00 H new ATOM 0 HG SER A 64 10.243 -5.803 -8.862 1.00 0.00 H new ATOM 1007 N LEU A 65 8.160 -2.342 -6.496 1.00 0.00 N ATOM 1008 CA LEU A 65 8.134 -0.895 -6.728 1.00 0.00 C ATOM 1009 C LEU A 65 8.399 -0.083 -5.458 1.00 0.00 C ATOM 1010 O LEU A 65 8.750 1.097 -5.546 1.00 0.00 O ATOM 1011 CB LEU A 65 6.767 -0.472 -7.302 1.00 0.00 C ATOM 1012 CG LEU A 65 6.339 -1.127 -8.625 1.00 0.00 C ATOM 1013 CD1 LEU A 65 4.949 -0.633 -9.011 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.332 -0.843 -9.747 1.00 0.00 C ATOM 0 H LEU A 65 7.244 -2.776 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 65 8.935 -0.685 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.003 -0.686 -6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.778 0.608 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 65 6.318 -2.207 -8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.645 -1.097 -9.949 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.238 -0.898 -8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.968 0.450 -9.132 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.992 -1.324 -10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.403 0.233 -9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.312 -1.235 -9.474 1.00 0.00 H new ATOM 1026 N LEU A 66 8.171 -0.669 -4.286 1.00 0.00 N ATOM 1027 CA LEU A 66 8.466 -0.086 -2.983 1.00 0.00 C ATOM 1028 C LEU A 66 9.960 -0.166 -2.685 1.00 0.00 C ATOM 1029 O LEU A 66 10.466 0.656 -1.915 1.00 0.00 O ATOM 1030 CB LEU A 66 7.664 -0.837 -1.918 1.00 0.00 C ATOM 1031 CG LEU A 66 6.146 -0.594 -2.028 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.418 -1.578 -1.117 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.761 0.844 -1.723 1.00 0.00 C ATOM 0 H LEU A 66 7.759 -1.600 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 66 8.184 0.967 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.863 -1.905 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.005 -0.530 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 66 5.844 -0.765 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.343 -1.413 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.650 -2.598 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.740 -1.427 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.681 0.959 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.067 1.095 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.258 1.511 -2.427 1.00 0.00 H new ATOM 1045 N SER A 67 10.660 -1.147 -3.254 1.00 0.00 N ATOM 1046 CA SER A 67 12.105 -1.254 -3.134 1.00 0.00 C ATOM 1047 C SER A 67 12.791 -0.035 -3.744 1.00 0.00 C ATOM 1048 O SER A 67 13.798 0.407 -3.151 1.00 0.00 O ATOM 1049 CB SER A 67 12.557 -2.587 -3.738 1.00 0.00 C ATOM 1050 OG SER A 67 13.820 -2.966 -3.223 1.00 0.00 O ATOM 0 H SER A 67 10.236 -1.889 -3.811 1.00 0.00 H new ATOM 0 HA SER A 67 12.403 -1.257 -2.086 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.821 -3.360 -3.517 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.612 -2.500 -4.823 1.00 0.00 H new ATOM 0 HG SER A 67 14.092 -3.820 -3.619 1.00 0.00 H new