USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 608 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 75 LYS NZ :NH3+ 174:sc= 0.978 (180deg=0.723) USER MOD Set 1.2: A 77 SER OG : rot 180:sc= 0.125 USER MOD Set 2.1: A 37 GLN : amide:sc= -0.169 K(o=-1,f=-3.3!) USER MOD Set 2.2: A 60 MET CE :methyl 154:sc= -0.846 (180deg=-0.77) USER MOD Set 3.1: A 31 GLN :FLIP amide:sc= -0.197 F(o=-0.92,f=-0.09) USER MOD Set 3.2: A 38 THR OG1 : rot 63:sc= 0.107 USER MOD Single : A 20 THR OG1 : rot -29:sc= 0.0909 USER MOD Single : A 22 THR OG1 : rot 33:sc= 0.452 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -2.36! C(o=-2.4!,f=-2.5!) USER MOD Single : A 25 GLN : amide:sc= -1.84! C(o=-1.8!,f=-5.5!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 136:sc= 0.626 (180deg=-0.109) USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0198) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.518 USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= -0.0151 (180deg=-0.186) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -120:sc= -0.59 (180deg=-2.08!) USER MOD Single : A 54 SER OG : rot -5:sc= 0.462 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 SER OG : rot 47:sc= 0.0635 USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= -0.0134 (180deg=-0.0891) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -128:sc= -1.78 (180deg=-3.06!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 20 -1.007 4.668 13.267 1.00 0.00 N ATOM 2 CA THR A 20 -2.183 3.895 13.724 1.00 0.00 C ATOM 3 C THR A 20 -1.898 2.379 13.611 1.00 0.00 C ATOM 4 O THR A 20 -1.353 1.918 12.600 1.00 0.00 O ATOM 5 CB THR A 20 -3.459 4.294 12.908 1.00 0.00 C ATOM 6 OG1 THR A 20 -3.206 4.171 11.492 1.00 0.00 O ATOM 7 CG2 THR A 20 -3.908 5.735 13.221 1.00 0.00 C ATOM 0 HA THR A 20 -2.374 4.130 14.771 1.00 0.00 H new ATOM 0 HB THR A 20 -4.258 3.613 13.202 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.256 4.331 11.314 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.796 5.975 12.636 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.139 5.822 14.283 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.107 6.429 12.966 1.00 0.00 H new ATOM 15 N GLU A 21 -2.265 1.614 14.667 1.00 0.00 N ATOM 16 CA GLU A 21 -1.915 0.181 14.810 1.00 0.00 C ATOM 17 C GLU A 21 -3.169 -0.721 14.844 1.00 0.00 C ATOM 18 O GLU A 21 -3.138 -1.840 14.315 1.00 0.00 O ATOM 19 CB GLU A 21 -1.051 -0.002 16.090 1.00 0.00 C ATOM 20 CG GLU A 21 -1.704 0.509 17.392 1.00 0.00 C ATOM 21 CD GLU A 21 -0.763 0.418 18.602 1.00 0.00 C ATOM 22 OE1 GLU A 21 -0.724 -0.643 19.257 1.00 0.00 O ATOM 23 OE2 GLU A 21 -0.041 1.404 18.889 1.00 0.00 O ATOM 0 H GLU A 21 -2.814 1.976 15.447 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.341 -0.129 13.937 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.821 -1.061 16.207 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.103 0.517 15.948 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.015 1.545 17.256 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.605 -0.070 17.593 1.00 0.00 H new ATOM 30 N THR A 22 -4.258 -0.226 15.468 1.00 0.00 N ATOM 31 CA THR A 22 -5.544 -0.950 15.540 1.00 0.00 C ATOM 32 C THR A 22 -6.183 -0.972 14.136 1.00 0.00 C ATOM 33 O THR A 22 -6.396 0.102 13.575 1.00 0.00 O ATOM 34 CB THR A 22 -6.527 -0.297 16.573 1.00 0.00 C ATOM 35 OG1 THR A 22 -6.826 1.065 16.208 1.00 0.00 O ATOM 36 CG2 THR A 22 -5.957 -0.324 18.006 1.00 0.00 C ATOM 0 H THR A 22 -4.271 0.681 15.934 1.00 0.00 H new ATOM 0 HA THR A 22 -5.350 -1.967 15.882 1.00 0.00 H new ATOM 0 HB THR A 22 -7.442 -0.890 16.553 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.821 1.151 15.232 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.669 0.138 18.690 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.781 -1.356 18.308 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.017 0.227 18.034 1.00 0.00 H new ATOM 44 N SER A 23 -6.441 -2.201 13.607 1.00 0.00 N ATOM 45 CA SER A 23 -6.755 -2.504 12.172 1.00 0.00 C ATOM 46 C SER A 23 -7.696 -1.482 11.460 1.00 0.00 C ATOM 47 O SER A 23 -8.899 -1.706 11.289 1.00 0.00 O ATOM 48 CB SER A 23 -7.332 -3.944 12.071 1.00 0.00 C ATOM 49 OG SER A 23 -6.401 -4.914 12.544 1.00 0.00 O ATOM 0 H SER A 23 -6.437 -3.041 14.185 1.00 0.00 H new ATOM 0 HA SER A 23 -5.811 -2.418 11.634 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.253 -4.009 12.650 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.591 -4.162 11.035 1.00 0.00 H new ATOM 0 HG SER A 23 -6.794 -5.809 12.469 1.00 0.00 H new ATOM 55 N GLN A 24 -7.109 -0.324 11.157 1.00 0.00 N ATOM 56 CA GLN A 24 -7.691 0.784 10.379 1.00 0.00 C ATOM 57 C GLN A 24 -7.547 0.558 8.855 1.00 0.00 C ATOM 58 O GLN A 24 -8.423 0.930 8.056 1.00 0.00 O ATOM 59 CB GLN A 24 -7.075 2.135 10.827 1.00 0.00 C ATOM 60 CG GLN A 24 -7.790 3.375 10.258 1.00 0.00 C ATOM 61 CD GLN A 24 -7.239 4.724 10.741 1.00 0.00 C ATOM 62 OE1 GLN A 24 -7.253 5.712 10.002 1.00 0.00 O ATOM 63 NE2 GLN A 24 -6.792 4.793 11.985 1.00 0.00 N ATOM 0 H GLN A 24 -6.159 -0.116 11.463 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.761 0.816 10.582 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.093 2.187 11.916 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.028 2.162 10.524 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.728 3.343 9.170 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.847 3.317 10.519 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.792 3.960 12.574 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.448 5.679 12.355 1.00 0.00 H new ATOM 72 N GLN A 25 -6.414 -0.060 8.478 1.00 0.00 N ATOM 73 CA GLN A 25 -5.771 0.083 7.159 1.00 0.00 C ATOM 74 C GLN A 25 -6.334 -0.895 6.108 1.00 0.00 C ATOM 75 O GLN A 25 -6.943 -1.917 6.426 1.00 0.00 O ATOM 76 CB GLN A 25 -4.215 -0.054 7.308 1.00 0.00 C ATOM 77 CG GLN A 25 -3.681 -1.269 8.112 1.00 0.00 C ATOM 78 CD GLN A 25 -3.703 -2.592 7.345 1.00 0.00 C ATOM 79 OE1 GLN A 25 -3.618 -2.610 6.121 1.00 0.00 O ATOM 80 NE2 GLN A 25 -3.805 -3.696 8.062 1.00 0.00 N ATOM 0 H GLN A 25 -5.906 -0.690 9.099 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.003 1.080 6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.783 -0.095 6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.840 0.854 7.780 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.658 -1.061 8.425 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.275 -1.379 9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.874 -3.640 9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.815 -4.605 7.600 1.00 0.00 H new ATOM 89 N LEU A 26 -6.139 -0.509 4.843 1.00 0.00 N ATOM 90 CA LEU A 26 -6.895 -1.015 3.694 1.00 0.00 C ATOM 91 C LEU A 26 -6.147 -2.181 3.017 1.00 0.00 C ATOM 92 O LEU A 26 -4.937 -2.090 2.784 1.00 0.00 O ATOM 93 CB LEU A 26 -7.099 0.144 2.678 1.00 0.00 C ATOM 94 CG LEU A 26 -7.598 1.503 3.266 1.00 0.00 C ATOM 95 CD1 LEU A 26 -7.779 2.565 2.162 1.00 0.00 C ATOM 96 CD2 LEU A 26 -8.885 1.324 4.099 1.00 0.00 C ATOM 0 H LEU A 26 -5.434 0.181 4.584 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.861 -1.386 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.153 0.320 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.814 -0.185 1.923 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.824 1.867 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.127 3.497 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.826 2.736 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.512 2.214 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.202 2.290 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.673 0.913 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.691 0.642 4.927 1.00 0.00 H new ATOM 108 N GLN A 27 -6.875 -3.269 2.705 1.00 0.00 N ATOM 109 CA GLN A 27 -6.349 -4.393 1.903 1.00 0.00 C ATOM 110 C GLN A 27 -6.696 -4.132 0.424 1.00 0.00 C ATOM 111 O GLN A 27 -7.855 -4.281 0.014 1.00 0.00 O ATOM 112 CB GLN A 27 -6.971 -5.732 2.396 1.00 0.00 C ATOM 113 CG GLN A 27 -6.628 -6.092 3.862 1.00 0.00 C ATOM 114 CD GLN A 27 -7.386 -7.324 4.367 1.00 0.00 C ATOM 115 OE1 GLN A 27 -6.923 -8.458 4.240 1.00 0.00 O ATOM 116 NE2 GLN A 27 -8.563 -7.109 4.930 1.00 0.00 N ATOM 0 H GLN A 27 -7.843 -3.395 3.000 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.267 -4.470 2.013 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.055 -5.676 2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.630 -6.538 1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.556 -6.272 3.945 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.859 -5.241 4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.919 -6.157 5.020 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.115 -7.895 5.274 1.00 0.00 H new ATOM 125 N LEU A 28 -5.700 -3.698 -0.363 1.00 0.00 N ATOM 126 CA LEU A 28 -5.904 -3.290 -1.766 1.00 0.00 C ATOM 127 C LEU A 28 -5.275 -4.324 -2.708 1.00 0.00 C ATOM 128 O LEU A 28 -4.117 -4.714 -2.520 1.00 0.00 O ATOM 129 CB LEU A 28 -5.289 -1.880 -2.011 1.00 0.00 C ATOM 130 CG LEU A 28 -5.712 -0.764 -0.991 1.00 0.00 C ATOM 131 CD1 LEU A 28 -5.053 0.588 -1.322 1.00 0.00 C ATOM 132 CD2 LEU A 28 -7.248 -0.625 -0.902 1.00 0.00 C ATOM 0 H LEU A 28 -4.733 -3.619 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.974 -3.238 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.203 -1.970 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.565 -1.553 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.351 -1.076 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.370 1.335 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.969 0.483 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.353 0.904 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.502 0.157 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.647 -0.363 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.681 -1.571 -0.575 1.00 0.00 H new ATOM 144 N ARG A 29 -6.054 -4.766 -3.714 1.00 0.00 N ATOM 145 CA ARG A 29 -5.592 -5.704 -4.748 1.00 0.00 C ATOM 146 C ARG A 29 -5.079 -4.905 -5.943 1.00 0.00 C ATOM 147 O ARG A 29 -5.767 -4.020 -6.447 1.00 0.00 O ATOM 148 CB ARG A 29 -6.725 -6.675 -5.172 1.00 0.00 C ATOM 149 CG ARG A 29 -7.113 -7.685 -4.071 1.00 0.00 C ATOM 150 CD ARG A 29 -8.150 -8.713 -4.541 1.00 0.00 C ATOM 151 NE ARG A 29 -8.398 -9.746 -3.514 1.00 0.00 N ATOM 152 CZ ARG A 29 -9.246 -10.777 -3.637 1.00 0.00 C ATOM 153 NH1 ARG A 29 -9.969 -10.945 -4.739 1.00 0.00 N ATOM 154 NH2 ARG A 29 -9.361 -11.646 -2.647 1.00 0.00 N ATOM 0 H ARG A 29 -7.026 -4.479 -3.830 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.784 -6.315 -4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.605 -6.095 -5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.411 -7.221 -6.061 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.218 -8.208 -3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.509 -7.144 -3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.084 -8.205 -4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.802 -9.188 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.881 -9.668 -2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.884 -10.283 -5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.609 -11.736 -4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.807 -11.529 -1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.004 -12.434 -2.732 1.00 0.00 H new ATOM 168 N VAL A 30 -3.867 -5.232 -6.371 1.00 0.00 N ATOM 169 CA VAL A 30 -3.142 -4.496 -7.412 1.00 0.00 C ATOM 170 C VAL A 30 -2.888 -5.463 -8.577 1.00 0.00 C ATOM 171 O VAL A 30 -2.243 -6.494 -8.383 1.00 0.00 O ATOM 172 CB VAL A 30 -1.772 -3.920 -6.872 1.00 0.00 C ATOM 173 CG1 VAL A 30 -1.275 -2.764 -7.754 1.00 0.00 C ATOM 174 CG2 VAL A 30 -1.858 -3.483 -5.391 1.00 0.00 C ATOM 0 H VAL A 30 -3.347 -6.028 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.739 -3.644 -7.737 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.047 -4.732 -6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.331 -2.386 -7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.126 -3.122 -8.773 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.014 -1.963 -7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.891 -3.095 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.615 -2.706 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.129 -4.340 -4.774 1.00 0.00 H new ATOM 184 N GLN A 31 -3.377 -5.135 -9.779 1.00 0.00 N ATOM 185 CA GLN A 31 -3.368 -6.065 -10.927 1.00 0.00 C ATOM 186 C GLN A 31 -2.726 -5.389 -12.139 1.00 0.00 C ATOM 187 O GLN A 31 -3.021 -4.225 -12.419 1.00 0.00 O ATOM 188 CB GLN A 31 -4.805 -6.531 -11.291 1.00 0.00 C ATOM 189 CG GLN A 31 -5.549 -7.287 -10.173 1.00 0.00 C ATOM 190 CD GLN A 31 -6.939 -7.810 -10.570 1.00 0.00 C ATOM 191 OE1 GLN A 31 -7.647 -7.091 -11.440 1.00 0.00 O flip ATOM 192 NE2 GLN A 31 -7.389 -8.843 -10.073 1.00 0.00 N flip ATOM 0 H GLN A 31 -3.788 -4.225 -9.988 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.787 -6.942 -10.643 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.393 -5.658 -11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.750 -7.174 -12.169 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.936 -8.129 -9.852 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.656 -6.625 -9.314 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.827 -9.376 -9.409 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.323 -9.165 -10.325 1.00 0.00 H new ATOM 201 N GLY A 32 -1.875 -6.137 -12.860 1.00 0.00 N ATOM 202 CA GLY A 32 -1.249 -5.651 -14.097 1.00 0.00 C ATOM 203 C GLY A 32 -2.209 -5.666 -15.280 1.00 0.00 C ATOM 204 O GLY A 32 -3.352 -6.127 -15.148 1.00 0.00 O ATOM 0 H GLY A 32 -1.604 -7.087 -12.604 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.884 -4.636 -13.942 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.382 -6.269 -14.329 1.00 0.00 H new ATOM 208 N LYS A 33 -1.763 -5.102 -16.428 1.00 0.00 N ATOM 209 CA LYS A 33 -2.399 -5.314 -17.757 1.00 0.00 C ATOM 210 C LYS A 33 -2.809 -6.795 -17.978 1.00 0.00 C ATOM 211 O LYS A 33 -3.852 -7.090 -18.570 1.00 0.00 O ATOM 212 CB LYS A 33 -1.420 -4.836 -18.873 1.00 0.00 C ATOM 213 CG LYS A 33 -0.032 -5.536 -18.867 1.00 0.00 C ATOM 214 CD LYS A 33 0.885 -5.066 -20.018 1.00 0.00 C ATOM 215 CE LYS A 33 2.210 -5.856 -20.085 1.00 0.00 C ATOM 216 NZ LYS A 33 1.991 -7.318 -20.298 1.00 0.00 N ATOM 0 H LYS A 33 -0.951 -4.486 -16.462 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.317 -4.728 -17.798 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.889 -5.000 -19.843 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.270 -3.761 -18.769 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.462 -5.344 -17.915 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.174 -6.614 -18.940 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.356 -5.172 -20.965 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.105 -4.006 -19.892 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.824 -5.462 -20.894 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.767 -5.706 -19.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.660 -7.669 -21.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.143 -7.826 -19.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.017 -7.479 -20.626 1.00 0.00 H new ATOM 230 N GLU A 34 -1.955 -7.696 -17.481 1.00 0.00 N ATOM 231 CA GLU A 34 -2.221 -9.133 -17.369 1.00 0.00 C ATOM 232 C GLU A 34 -2.919 -9.395 -16.014 1.00 0.00 C ATOM 233 O GLU A 34 -2.350 -9.111 -14.957 1.00 0.00 O ATOM 234 CB GLU A 34 -0.874 -9.927 -17.521 1.00 0.00 C ATOM 235 CG GLU A 34 0.348 -9.310 -16.794 1.00 0.00 C ATOM 236 CD GLU A 34 1.692 -9.883 -17.262 1.00 0.00 C ATOM 237 OE1 GLU A 34 2.175 -9.461 -18.334 1.00 0.00 O ATOM 238 OE2 GLU A 34 2.267 -10.751 -16.576 1.00 0.00 O ATOM 0 H GLU A 34 -1.031 -7.437 -17.135 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.884 -9.478 -18.162 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.025 -10.940 -17.147 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.639 -10.011 -18.582 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.348 -8.231 -16.951 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.245 -9.476 -15.722 1.00 0.00 H new ATOM 245 N LYS A 35 -4.170 -9.903 -16.060 1.00 0.00 N ATOM 246 CA LYS A 35 -5.016 -10.087 -14.858 1.00 0.00 C ATOM 247 C LYS A 35 -4.503 -11.240 -13.963 1.00 0.00 C ATOM 248 O LYS A 35 -4.832 -11.298 -12.776 1.00 0.00 O ATOM 249 CB LYS A 35 -6.499 -10.325 -15.263 1.00 0.00 C ATOM 250 CG LYS A 35 -6.759 -11.636 -16.041 1.00 0.00 C ATOM 251 CD LYS A 35 -8.256 -11.883 -16.345 1.00 0.00 C ATOM 252 CE LYS A 35 -9.128 -11.959 -15.074 1.00 0.00 C ATOM 253 NZ LYS A 35 -8.658 -13.000 -14.116 1.00 0.00 N ATOM 0 H LYS A 35 -4.621 -10.196 -16.927 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.956 -9.169 -14.273 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.111 -10.327 -14.361 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.833 -9.485 -15.873 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.205 -11.609 -16.979 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.370 -12.475 -15.465 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.627 -11.083 -16.986 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.358 -12.813 -16.905 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.127 -10.988 -14.579 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.159 -12.171 -15.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.298 -13.032 -13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.652 -13.927 -14.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.696 -12.768 -13.795 1.00 0.00 H new ATOM 267 N HIS A 36 -3.707 -12.157 -14.555 1.00 0.00 N ATOM 268 CA HIS A 36 -3.022 -13.243 -13.818 1.00 0.00 C ATOM 269 C HIS A 36 -2.012 -12.649 -12.811 1.00 0.00 C ATOM 270 O HIS A 36 -1.754 -13.234 -11.753 1.00 0.00 O ATOM 271 CB HIS A 36 -2.320 -14.199 -14.826 1.00 0.00 C ATOM 272 CG HIS A 36 -1.535 -15.316 -14.192 1.00 0.00 C ATOM 273 ND1 HIS A 36 -0.208 -15.561 -14.480 1.00 0.00 N ATOM 274 CD2 HIS A 36 -1.898 -16.262 -13.290 1.00 0.00 C ATOM 275 CE1 HIS A 36 0.211 -16.595 -13.783 1.00 0.00 C ATOM 276 NE2 HIS A 36 -0.792 -17.039 -13.053 1.00 0.00 N ATOM 0 H HIS A 36 -3.521 -12.166 -15.558 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.756 -13.819 -13.254 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.075 -14.631 -15.482 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.649 -13.613 -15.455 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.874 -16.381 -12.843 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.208 -17.010 -13.805 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.753 -17.833 -12.414 1.00 0.00 H new ATOM 285 N GLN A 37 -1.453 -11.483 -13.168 1.00 0.00 N ATOM 286 CA GLN A 37 -0.600 -10.685 -12.280 1.00 0.00 C ATOM 287 C GLN A 37 -1.492 -9.954 -11.254 1.00 0.00 C ATOM 288 O GLN A 37 -2.013 -8.874 -11.535 1.00 0.00 O ATOM 289 CB GLN A 37 0.227 -9.672 -13.124 1.00 0.00 C ATOM 290 CG GLN A 37 1.244 -8.825 -12.342 1.00 0.00 C ATOM 291 CD GLN A 37 2.358 -9.655 -11.717 1.00 0.00 C ATOM 292 OE1 GLN A 37 2.280 -10.070 -10.559 1.00 0.00 O ATOM 293 NE2 GLN A 37 3.368 -9.962 -12.509 1.00 0.00 N ATOM 0 H GLN A 37 -1.583 -11.065 -14.090 1.00 0.00 H new ATOM 0 HA GLN A 37 0.097 -11.329 -11.744 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.760 -10.223 -13.899 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.465 -8.999 -13.631 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.682 -8.085 -13.011 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.724 -8.276 -11.557 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.398 -9.599 -13.462 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.119 -10.562 -12.168 1.00 0.00 H new ATOM 302 N THR A 38 -1.736 -10.601 -10.105 1.00 0.00 N ATOM 303 CA THR A 38 -2.508 -10.020 -8.991 1.00 0.00 C ATOM 304 C THR A 38 -1.685 -10.113 -7.694 1.00 0.00 C ATOM 305 O THR A 38 -1.212 -11.194 -7.327 1.00 0.00 O ATOM 306 CB THR A 38 -3.884 -10.746 -8.816 1.00 0.00 C ATOM 307 OG1 THR A 38 -4.577 -10.774 -10.072 1.00 0.00 O ATOM 308 CG2 THR A 38 -4.784 -10.066 -7.758 1.00 0.00 C ATOM 0 H THR A 38 -1.403 -11.547 -9.919 1.00 0.00 H new ATOM 0 HA THR A 38 -2.712 -8.974 -9.218 1.00 0.00 H new ATOM 0 HB THR A 38 -3.671 -11.757 -8.469 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.056 -11.291 -10.721 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.725 -10.610 -7.677 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.278 -10.071 -6.793 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.984 -9.037 -8.058 1.00 0.00 H new ATOM 316 N LEU A 39 -1.515 -8.966 -7.028 1.00 0.00 N ATOM 317 CA LEU A 39 -0.693 -8.821 -5.824 1.00 0.00 C ATOM 318 C LEU A 39 -1.477 -7.956 -4.836 1.00 0.00 C ATOM 319 O LEU A 39 -1.828 -6.828 -5.162 1.00 0.00 O ATOM 320 CB LEU A 39 0.677 -8.168 -6.223 1.00 0.00 C ATOM 321 CG LEU A 39 1.905 -8.329 -5.249 1.00 0.00 C ATOM 322 CD1 LEU A 39 1.888 -7.325 -4.084 1.00 0.00 C ATOM 323 CD2 LEU A 39 2.039 -9.787 -4.746 1.00 0.00 C ATOM 0 H LEU A 39 -1.956 -8.093 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.475 -9.781 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.968 -8.576 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.506 -7.101 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 39 2.793 -8.093 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.760 -7.488 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.911 -6.309 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.981 -7.465 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.896 -9.864 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.133 -10.072 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.183 -10.454 -5.596 1.00 0.00 H new ATOM 335 N GLU A 40 -1.732 -8.471 -3.628 1.00 0.00 N ATOM 336 CA GLU A 40 -2.570 -7.768 -2.637 1.00 0.00 C ATOM 337 C GLU A 40 -1.715 -7.401 -1.417 1.00 0.00 C ATOM 338 O GLU A 40 -1.084 -8.253 -0.777 1.00 0.00 O ATOM 339 CB GLU A 40 -3.822 -8.592 -2.250 1.00 0.00 C ATOM 340 CG GLU A 40 -3.538 -9.953 -1.608 1.00 0.00 C ATOM 341 CD GLU A 40 -4.813 -10.740 -1.255 1.00 0.00 C ATOM 342 OE1 GLU A 40 -5.708 -10.867 -2.122 1.00 0.00 O ATOM 343 OE2 GLU A 40 -4.921 -11.251 -0.121 1.00 0.00 O ATOM 0 H GLU A 40 -1.373 -9.371 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.948 -6.848 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.426 -8.002 -1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.424 -8.750 -3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.930 -10.548 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.950 -9.804 -0.703 1.00 0.00 H new ATOM 350 N VAL A 41 -1.697 -6.110 -1.134 1.00 0.00 N ATOM 351 CA VAL A 41 -0.828 -5.478 -0.132 1.00 0.00 C ATOM 352 C VAL A 41 -1.689 -4.690 0.870 1.00 0.00 C ATOM 353 O VAL A 41 -2.749 -4.150 0.506 1.00 0.00 O ATOM 354 CB VAL A 41 0.224 -4.544 -0.865 1.00 0.00 C ATOM 355 CG1 VAL A 41 -0.460 -3.727 -1.976 1.00 0.00 C ATOM 356 CG2 VAL A 41 0.997 -3.616 0.119 1.00 0.00 C ATOM 0 H VAL A 41 -2.305 -5.442 -1.607 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.277 -6.236 0.425 1.00 0.00 H new ATOM 0 HB VAL A 41 0.968 -5.199 -1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.277 -3.092 -2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.900 -4.405 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.242 -3.105 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.702 -3.001 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.290 -2.973 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.540 -4.224 0.842 1.00 0.00 H new ATOM 366 N SER A 42 -1.228 -4.636 2.130 1.00 0.00 N ATOM 367 CA SER A 42 -1.895 -3.865 3.176 1.00 0.00 C ATOM 368 C SER A 42 -1.280 -2.455 3.175 1.00 0.00 C ATOM 369 O SER A 42 -0.124 -2.265 3.581 1.00 0.00 O ATOM 370 CB SER A 42 -1.716 -4.555 4.548 1.00 0.00 C ATOM 371 OG SER A 42 -1.976 -5.949 4.462 1.00 0.00 O ATOM 0 H SER A 42 -0.389 -5.123 2.444 1.00 0.00 H new ATOM 0 HA SER A 42 -2.967 -3.802 2.988 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.700 -4.394 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.389 -4.102 5.276 1.00 0.00 H new ATOM 0 HG SER A 42 -1.854 -6.360 5.343 1.00 0.00 H new ATOM 377 N LEU A 43 -2.059 -1.489 2.681 1.00 0.00 N ATOM 378 CA LEU A 43 -1.672 -0.074 2.633 1.00 0.00 C ATOM 379 C LEU A 43 -2.422 0.685 3.727 1.00 0.00 C ATOM 380 O LEU A 43 -3.640 0.553 3.849 1.00 0.00 O ATOM 381 CB LEU A 43 -1.964 0.539 1.225 1.00 0.00 C ATOM 382 CG LEU A 43 -1.690 2.080 1.064 1.00 0.00 C ATOM 383 CD1 LEU A 43 -0.272 2.459 1.516 1.00 0.00 C ATOM 384 CD2 LEU A 43 -1.924 2.552 -0.385 1.00 0.00 C ATOM 0 H LEU A 43 -2.987 -1.668 2.298 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.599 0.012 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.363 0.006 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.009 0.350 0.980 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.403 2.589 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.124 3.531 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.143 2.197 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.458 1.918 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.725 3.621 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.255 2.013 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.958 2.356 -0.669 1.00 0.00 H new ATOM 396 N SER A 44 -1.689 1.498 4.509 1.00 0.00 N ATOM 397 CA SER A 44 -2.289 2.344 5.541 1.00 0.00 C ATOM 398 C SER A 44 -2.956 3.535 4.855 1.00 0.00 C ATOM 399 O SER A 44 -2.370 4.116 3.935 1.00 0.00 O ATOM 400 CB SER A 44 -1.222 2.809 6.555 1.00 0.00 C ATOM 401 OG SER A 44 -0.545 1.703 7.115 1.00 0.00 O ATOM 0 H SER A 44 -0.675 1.583 4.440 1.00 0.00 H new ATOM 0 HA SER A 44 -3.036 1.780 6.100 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.507 3.467 6.061 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.695 3.390 7.347 1.00 0.00 H new ATOM 0 HG SER A 44 0.128 2.020 7.753 1.00 0.00 H new ATOM 407 N ARG A 45 -4.170 3.906 5.298 1.00 0.00 N ATOM 408 CA ARG A 45 -4.944 4.978 4.644 1.00 0.00 C ATOM 409 C ARG A 45 -4.339 6.372 4.922 1.00 0.00 C ATOM 410 O ARG A 45 -4.745 7.367 4.318 1.00 0.00 O ATOM 411 CB ARG A 45 -6.450 4.885 5.008 1.00 0.00 C ATOM 412 CG ARG A 45 -6.807 5.139 6.489 1.00 0.00 C ATOM 413 CD ARG A 45 -8.136 4.476 6.913 1.00 0.00 C ATOM 414 NE ARG A 45 -9.265 4.769 6.013 1.00 0.00 N ATOM 415 CZ ARG A 45 -10.378 4.017 5.901 1.00 0.00 C ATOM 416 NH1 ARG A 45 -10.556 2.942 6.665 1.00 0.00 N ATOM 417 NH2 ARG A 45 -11.306 4.340 5.017 1.00 0.00 N ATOM 0 H ARG A 45 -4.635 3.483 6.101 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.876 4.833 3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.996 5.602 4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.809 3.893 4.734 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.002 4.763 7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.872 6.213 6.662 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.993 3.396 6.960 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.391 4.808 7.919 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.199 5.604 5.431 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.845 2.677 7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.404 2.383 6.569 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.179 5.158 4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.149 3.772 4.931 1.00 0.00 H new ATOM 431 N ASP A 46 -3.325 6.405 5.804 1.00 0.00 N ATOM 432 CA ASP A 46 -2.511 7.594 6.098 1.00 0.00 C ATOM 433 C ASP A 46 -1.260 7.612 5.191 1.00 0.00 C ATOM 434 O ASP A 46 -0.837 8.675 4.730 1.00 0.00 O ATOM 435 CB ASP A 46 -2.102 7.569 7.594 1.00 0.00 C ATOM 436 CG ASP A 46 -1.170 8.723 8.012 1.00 0.00 C ATOM 437 OD1 ASP A 46 -1.646 9.870 8.148 1.00 0.00 O ATOM 438 OD2 ASP A 46 0.044 8.489 8.198 1.00 0.00 O ATOM 0 H ASP A 46 -3.043 5.587 6.344 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.088 8.497 5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.003 7.604 8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.608 6.621 7.808 1.00 0.00 H new ATOM 443 N SER A 47 -0.686 6.415 4.945 1.00 0.00 N ATOM 444 CA SER A 47 0.545 6.247 4.142 1.00 0.00 C ATOM 445 C SER A 47 0.229 6.348 2.628 1.00 0.00 C ATOM 446 O SER A 47 -0.730 5.725 2.177 1.00 0.00 O ATOM 447 CB SER A 47 1.181 4.873 4.463 1.00 0.00 C ATOM 448 OG SER A 47 1.436 4.732 5.854 1.00 0.00 O ATOM 0 H SER A 47 -1.064 5.536 5.298 1.00 0.00 H new ATOM 0 HA SER A 47 1.246 7.042 4.396 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.516 4.076 4.131 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.112 4.763 3.908 1.00 0.00 H new ATOM 0 HG SER A 47 1.836 3.854 6.026 1.00 0.00 H new ATOM 454 N PRO A 48 1.014 7.146 1.828 1.00 0.00 N ATOM 455 CA PRO A 48 0.781 7.290 0.375 1.00 0.00 C ATOM 456 C PRO A 48 0.985 5.995 -0.420 1.00 0.00 C ATOM 457 O PRO A 48 1.642 5.056 0.039 1.00 0.00 O ATOM 458 CB PRO A 48 1.783 8.382 -0.088 1.00 0.00 C ATOM 459 CG PRO A 48 2.757 8.558 1.032 1.00 0.00 C ATOM 460 CD PRO A 48 2.133 7.996 2.297 1.00 0.00 C ATOM 0 HA PRO A 48 -0.260 7.556 0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.293 8.080 -1.003 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.267 9.317 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.691 8.043 0.808 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.998 9.613 1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.856 7.415 2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.776 8.793 2.949 1.00 0.00 H new ATOM 468 N LEU A 49 0.424 6.013 -1.634 1.00 0.00 N ATOM 469 CA LEU A 49 0.478 4.916 -2.607 1.00 0.00 C ATOM 470 C LEU A 49 1.908 4.463 -2.896 1.00 0.00 C ATOM 471 O LEU A 49 2.094 3.314 -3.226 1.00 0.00 O ATOM 472 CB LEU A 49 -0.241 5.334 -3.933 1.00 0.00 C ATOM 473 CG LEU A 49 -1.787 5.142 -3.995 1.00 0.00 C ATOM 474 CD1 LEU A 49 -2.149 3.652 -4.149 1.00 0.00 C ATOM 475 CD2 LEU A 49 -2.479 5.746 -2.772 1.00 0.00 C ATOM 0 H LEU A 49 -0.098 6.819 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.043 4.066 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.023 6.386 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.203 4.767 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.149 5.676 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.233 3.543 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.710 3.264 -5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.760 3.093 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.555 5.593 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.109 5.262 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.267 6.814 -2.725 1.00 0.00 H new ATOM 487 N LYS A 50 2.894 5.366 -2.761 1.00 0.00 N ATOM 488 CA LYS A 50 4.311 5.078 -3.057 1.00 0.00 C ATOM 489 C LYS A 50 4.856 3.819 -2.326 1.00 0.00 C ATOM 490 O LYS A 50 5.665 3.086 -2.896 1.00 0.00 O ATOM 491 CB LYS A 50 5.178 6.350 -2.787 1.00 0.00 C ATOM 492 CG LYS A 50 5.208 6.898 -1.331 1.00 0.00 C ATOM 493 CD LYS A 50 6.221 6.184 -0.400 1.00 0.00 C ATOM 494 CE LYS A 50 6.299 6.825 0.991 1.00 0.00 C ATOM 495 NZ LYS A 50 6.786 8.230 0.924 1.00 0.00 N ATOM 0 H LYS A 50 2.731 6.321 -2.442 1.00 0.00 H new ATOM 0 HA LYS A 50 4.380 4.828 -4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.203 6.129 -3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.821 7.146 -3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.447 7.961 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.211 6.807 -0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.938 5.136 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.209 6.204 -0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.314 6.803 1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.965 6.239 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.035 8.557 1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.625 8.278 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.038 8.838 0.534 1.00 0.00 H new ATOM 509 N THR A 51 4.411 3.571 -1.070 1.00 0.00 N ATOM 510 CA THR A 51 4.861 2.390 -0.299 1.00 0.00 C ATOM 511 C THR A 51 4.221 1.090 -0.845 1.00 0.00 C ATOM 512 O THR A 51 4.849 0.028 -0.849 1.00 0.00 O ATOM 513 CB THR A 51 4.612 2.552 1.244 1.00 0.00 C ATOM 514 OG1 THR A 51 5.155 1.432 1.967 1.00 0.00 O ATOM 515 CG2 THR A 51 3.137 2.705 1.602 1.00 0.00 C ATOM 0 H THR A 51 3.748 4.167 -0.575 1.00 0.00 H new ATOM 0 HA THR A 51 5.940 2.314 -0.433 1.00 0.00 H new ATOM 0 HB THR A 51 5.120 3.472 1.533 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.992 1.551 2.926 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.034 2.813 2.682 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.733 3.589 1.109 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.589 1.823 1.271 1.00 0.00 H new ATOM 523 N LEU A 52 2.974 1.210 -1.328 1.00 0.00 N ATOM 524 CA LEU A 52 2.248 0.133 -2.036 1.00 0.00 C ATOM 525 C LEU A 52 2.925 -0.171 -3.385 1.00 0.00 C ATOM 526 O LEU A 52 3.047 -1.328 -3.778 1.00 0.00 O ATOM 527 CB LEU A 52 0.760 0.564 -2.231 1.00 0.00 C ATOM 528 CG LEU A 52 -0.147 -0.314 -3.185 1.00 0.00 C ATOM 529 CD1 LEU A 52 -1.581 -0.424 -2.636 1.00 0.00 C ATOM 530 CD2 LEU A 52 -0.172 0.228 -4.647 1.00 0.00 C ATOM 0 H LEU A 52 2.430 2.068 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 52 2.274 -0.782 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.287 0.588 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.755 1.585 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 52 0.301 -1.308 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.183 -1.033 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.559 -0.889 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.018 0.571 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.808 -0.410 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.565 1.245 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.840 0.229 -5.052 1.00 0.00 H new ATOM 542 N MET A 53 3.314 0.906 -4.091 1.00 0.00 N ATOM 543 CA MET A 53 4.013 0.848 -5.389 1.00 0.00 C ATOM 544 C MET A 53 5.317 0.079 -5.261 1.00 0.00 C ATOM 545 O MET A 53 5.555 -0.872 -6.007 1.00 0.00 O ATOM 546 CB MET A 53 4.293 2.273 -5.935 1.00 0.00 C ATOM 547 CG MET A 53 3.036 3.079 -6.246 1.00 0.00 C ATOM 548 SD MET A 53 3.409 4.727 -6.866 1.00 0.00 S ATOM 549 CE MET A 53 1.759 5.344 -7.159 1.00 0.00 C ATOM 0 H MET A 53 3.148 1.860 -3.770 1.00 0.00 H new ATOM 0 HA MET A 53 3.363 0.328 -6.093 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.890 2.819 -5.205 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.893 2.192 -6.841 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.438 2.544 -6.984 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.429 3.162 -5.344 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.647 5.596 -8.213 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.031 4.579 -6.890 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.590 6.234 -6.553 1.00 0.00 H new ATOM 559 N SER A 54 6.098 0.465 -4.235 1.00 0.00 N ATOM 560 CA SER A 54 7.410 -0.117 -3.960 1.00 0.00 C ATOM 561 C SER A 54 7.248 -1.584 -3.525 1.00 0.00 C ATOM 562 O SER A 54 8.079 -2.423 -3.852 1.00 0.00 O ATOM 563 CB SER A 54 8.172 0.712 -2.893 1.00 0.00 C ATOM 564 OG SER A 54 7.457 0.793 -1.674 1.00 0.00 O ATOM 0 H SER A 54 5.828 1.194 -3.574 1.00 0.00 H new ATOM 0 HA SER A 54 8.007 -0.093 -4.872 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.147 0.260 -2.712 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.352 1.717 -3.275 1.00 0.00 H new ATOM 0 HG SER A 54 6.579 0.371 -1.781 1.00 0.00 H new ATOM 570 N HIS A 55 6.130 -1.889 -2.828 1.00 0.00 N ATOM 571 CA HIS A 55 5.825 -3.255 -2.363 1.00 0.00 C ATOM 572 C HIS A 55 5.542 -4.172 -3.567 1.00 0.00 C ATOM 573 O HIS A 55 6.153 -5.230 -3.692 1.00 0.00 O ATOM 574 CB HIS A 55 4.606 -3.248 -1.397 1.00 0.00 C ATOM 575 CG HIS A 55 4.381 -4.565 -0.688 1.00 0.00 C ATOM 576 ND1 HIS A 55 4.766 -4.787 0.614 1.00 0.00 N ATOM 577 CD2 HIS A 55 3.789 -5.717 -1.096 1.00 0.00 C ATOM 578 CE1 HIS A 55 4.430 -6.011 0.973 1.00 0.00 C ATOM 579 NE2 HIS A 55 3.838 -6.594 -0.046 1.00 0.00 N ATOM 0 H HIS A 55 5.422 -1.200 -2.575 1.00 0.00 H new ATOM 0 HA HIS A 55 6.691 -3.636 -1.821 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.749 -2.465 -0.652 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.709 -2.992 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.359 -5.906 -2.069 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.610 -6.458 1.939 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.474 -7.547 -0.053 1.00 0.00 H new ATOM 588 N TYR A 56 4.596 -3.737 -4.426 1.00 0.00 N ATOM 589 CA TYR A 56 4.156 -4.469 -5.629 1.00 0.00 C ATOM 590 C TYR A 56 5.345 -4.801 -6.551 1.00 0.00 C ATOM 591 O TYR A 56 5.617 -5.978 -6.818 1.00 0.00 O ATOM 592 CB TYR A 56 3.090 -3.626 -6.393 1.00 0.00 C ATOM 593 CG TYR A 56 2.629 -4.217 -7.748 1.00 0.00 C ATOM 594 CD1 TYR A 56 1.558 -5.108 -7.826 1.00 0.00 C ATOM 595 CD2 TYR A 56 3.267 -3.875 -8.954 1.00 0.00 C ATOM 596 CE1 TYR A 56 1.143 -5.635 -9.039 1.00 0.00 C ATOM 597 CE2 TYR A 56 2.858 -4.404 -10.161 1.00 0.00 C ATOM 598 CZ TYR A 56 1.794 -5.278 -10.200 1.00 0.00 C ATOM 599 OH TYR A 56 1.370 -5.787 -11.408 1.00 0.00 O ATOM 0 H TYR A 56 4.108 -2.850 -4.299 1.00 0.00 H new ATOM 0 HA TYR A 56 3.712 -5.414 -5.315 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.217 -3.506 -5.751 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.496 -2.630 -6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.041 -5.393 -6.922 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.096 -3.183 -8.935 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.312 -6.324 -9.074 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.371 -4.134 -11.072 1.00 0.00 H new ATOM 0 HH TYR A 56 0.406 -5.959 -11.370 1.00 0.00 H new ATOM 609 N GLU A 57 6.038 -3.739 -7.021 1.00 0.00 N ATOM 610 CA GLU A 57 7.150 -3.876 -7.983 1.00 0.00 C ATOM 611 C GLU A 57 8.245 -4.811 -7.429 1.00 0.00 C ATOM 612 O GLU A 57 8.586 -5.794 -8.072 1.00 0.00 O ATOM 613 CB GLU A 57 7.723 -2.498 -8.444 1.00 0.00 C ATOM 614 CG GLU A 57 8.285 -1.596 -7.333 1.00 0.00 C ATOM 615 CD GLU A 57 8.657 -0.189 -7.834 1.00 0.00 C ATOM 616 OE1 GLU A 57 7.781 0.702 -7.865 1.00 0.00 O ATOM 617 OE2 GLU A 57 9.830 0.028 -8.204 1.00 0.00 O ATOM 0 H GLU A 57 5.844 -2.776 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 57 6.743 -4.340 -8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.514 -2.681 -9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.933 -1.954 -8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.548 -1.509 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.168 -2.067 -6.901 1.00 0.00 H new ATOM 624 N GLU A 58 8.693 -4.576 -6.186 1.00 0.00 N ATOM 625 CA GLU A 58 9.775 -5.372 -5.565 1.00 0.00 C ATOM 626 C GLU A 58 9.342 -6.828 -5.273 1.00 0.00 C ATOM 627 O GLU A 58 10.199 -7.725 -5.269 1.00 0.00 O ATOM 628 CB GLU A 58 10.299 -4.673 -4.282 1.00 0.00 C ATOM 629 CG GLU A 58 11.021 -3.335 -4.560 1.00 0.00 C ATOM 630 CD GLU A 58 11.424 -2.588 -3.279 1.00 0.00 C ATOM 631 OE1 GLU A 58 12.328 -3.066 -2.559 1.00 0.00 O ATOM 632 OE2 GLU A 58 10.851 -1.517 -2.983 1.00 0.00 O ATOM 0 H GLU A 58 8.324 -3.839 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 58 10.590 -5.429 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.461 -4.492 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.984 -5.346 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.913 -3.528 -5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.370 -2.695 -5.157 1.00 0.00 H new ATOM 639 N ALA A 59 8.024 -7.068 -5.059 1.00 0.00 N ATOM 640 CA ALA A 59 7.476 -8.416 -4.769 1.00 0.00 C ATOM 641 C ALA A 59 7.737 -9.429 -5.903 1.00 0.00 C ATOM 642 O ALA A 59 8.104 -10.581 -5.638 1.00 0.00 O ATOM 643 CB ALA A 59 5.966 -8.323 -4.482 1.00 0.00 C ATOM 0 H ALA A 59 7.314 -6.336 -5.083 1.00 0.00 H new ATOM 0 HA ALA A 59 8.000 -8.786 -3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.574 -9.318 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.798 -7.676 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.455 -7.909 -5.351 1.00 0.00 H new ATOM 649 N MET A 60 7.543 -8.998 -7.163 1.00 0.00 N ATOM 650 CA MET A 60 7.821 -9.848 -8.356 1.00 0.00 C ATOM 651 C MET A 60 9.070 -9.342 -9.123 1.00 0.00 C ATOM 652 O MET A 60 9.225 -9.620 -10.320 1.00 0.00 O ATOM 653 CB MET A 60 6.582 -9.910 -9.298 1.00 0.00 C ATOM 654 CG MET A 60 5.320 -10.551 -8.692 1.00 0.00 C ATOM 655 SD MET A 60 4.509 -9.516 -7.458 1.00 0.00 S ATOM 656 CE MET A 60 3.997 -8.109 -8.453 1.00 0.00 C ATOM 0 H MET A 60 7.195 -8.067 -7.391 1.00 0.00 H new ATOM 0 HA MET A 60 8.029 -10.858 -8.003 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.337 -8.896 -9.615 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.856 -10.466 -10.194 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.613 -10.770 -9.492 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.589 -11.503 -8.235 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.131 -7.634 -7.993 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.814 -7.391 -8.515 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.735 -8.448 -9.455 1.00 0.00 H new ATOM 666 N GLY A 61 9.984 -8.678 -8.379 1.00 0.00 N ATOM 667 CA GLY A 61 11.218 -8.069 -8.925 1.00 0.00 C ATOM 668 C GLY A 61 11.079 -7.304 -10.253 1.00 0.00 C ATOM 669 O GLY A 61 11.647 -7.708 -11.273 1.00 0.00 O ATOM 0 H GLY A 61 9.884 -8.549 -7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.620 -7.384 -8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.956 -8.859 -9.063 1.00 0.00 H new ATOM 673 N LEU A 62 10.328 -6.200 -10.226 1.00 0.00 N ATOM 674 CA LEU A 62 10.178 -5.254 -11.361 1.00 0.00 C ATOM 675 C LEU A 62 11.252 -4.145 -11.287 1.00 0.00 C ATOM 676 O LEU A 62 11.188 -3.168 -12.042 1.00 0.00 O ATOM 677 CB LEU A 62 8.748 -4.626 -11.394 1.00 0.00 C ATOM 678 CG LEU A 62 7.559 -5.517 -11.896 1.00 0.00 C ATOM 679 CD1 LEU A 62 7.813 -6.053 -13.317 1.00 0.00 C ATOM 680 CD2 LEU A 62 7.211 -6.645 -10.908 1.00 0.00 C ATOM 0 H LEU A 62 9.792 -5.923 -9.403 1.00 0.00 H new ATOM 0 HA LEU A 62 10.317 -5.817 -12.284 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.509 -4.289 -10.385 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.789 -3.738 -12.025 1.00 0.00 H new ATOM 0 HG LEU A 62 6.682 -4.872 -11.945 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.968 -6.666 -13.631 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.930 -5.216 -14.006 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.721 -6.657 -13.321 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.382 -7.232 -11.303 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.079 -7.290 -10.771 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.925 -6.213 -9.949 1.00 0.00 H new ATOM 692 N SER A 63 12.233 -4.317 -10.381 1.00 0.00 N ATOM 693 CA SER A 63 13.336 -3.369 -10.172 1.00 0.00 C ATOM 694 C SER A 63 14.203 -3.250 -11.449 1.00 0.00 C ATOM 695 O SER A 63 15.052 -4.108 -11.729 1.00 0.00 O ATOM 696 CB SER A 63 14.168 -3.813 -8.940 1.00 0.00 C ATOM 697 OG SER A 63 14.500 -5.194 -8.997 1.00 0.00 O ATOM 0 H SER A 63 12.279 -5.130 -9.767 1.00 0.00 H new ATOM 0 HA SER A 63 12.934 -2.376 -9.971 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.082 -3.221 -8.886 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.604 -3.612 -8.029 1.00 0.00 H new ATOM 0 HG SER A 63 14.843 -5.411 -9.889 1.00 0.00 H new ATOM 703 N GLY A 64 13.922 -2.201 -12.234 1.00 0.00 N ATOM 704 CA GLY A 64 14.558 -1.977 -13.531 1.00 0.00 C ATOM 705 C GLY A 64 13.706 -1.056 -14.390 1.00 0.00 C ATOM 706 O GLY A 64 14.219 -0.138 -15.040 1.00 0.00 O ATOM 0 H GLY A 64 13.243 -1.483 -11.982 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.546 -1.539 -13.387 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.702 -2.929 -14.041 1.00 0.00 H new ATOM 710 N ARG A 65 12.384 -1.315 -14.389 1.00 0.00 N ATOM 711 CA ARG A 65 11.376 -0.440 -15.018 1.00 0.00 C ATOM 712 C ARG A 65 10.241 -0.196 -14.012 1.00 0.00 C ATOM 713 O ARG A 65 9.725 -1.150 -13.417 1.00 0.00 O ATOM 714 CB ARG A 65 10.771 -1.072 -16.307 1.00 0.00 C ATOM 715 CG ARG A 65 11.786 -1.445 -17.413 1.00 0.00 C ATOM 716 CD ARG A 65 11.093 -1.866 -18.728 1.00 0.00 C ATOM 717 NE ARG A 65 10.115 -2.962 -18.527 1.00 0.00 N ATOM 718 CZ ARG A 65 8.794 -2.896 -18.801 1.00 0.00 C ATOM 719 NH1 ARG A 65 8.236 -1.762 -19.211 1.00 0.00 N ATOM 720 NH2 ARG A 65 8.032 -3.969 -18.633 1.00 0.00 N ATOM 0 H ARG A 65 11.983 -2.143 -13.949 1.00 0.00 H new ATOM 0 HA ARG A 65 11.868 0.491 -15.299 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.222 -1.971 -16.025 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.046 -0.374 -16.726 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.439 -0.594 -17.606 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.419 -2.260 -17.062 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.584 -1.004 -19.159 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.848 -2.184 -19.447 1.00 0.00 H new ATOM 0 HE ARG A 65 10.470 -3.841 -18.150 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.807 -0.924 -19.323 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.237 -1.729 -19.414 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.444 -4.840 -18.298 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.034 -3.923 -18.839 1.00 0.00 H new ATOM 734 N LYS A 66 9.861 1.075 -13.810 1.00 0.00 N ATOM 735 CA LYS A 66 8.697 1.421 -12.984 1.00 0.00 C ATOM 736 C LYS A 66 7.440 1.390 -13.860 1.00 0.00 C ATOM 737 O LYS A 66 7.478 1.764 -15.039 1.00 0.00 O ATOM 738 CB LYS A 66 8.868 2.805 -12.309 1.00 0.00 C ATOM 739 CG LYS A 66 7.708 3.194 -11.352 1.00 0.00 C ATOM 740 CD LYS A 66 7.987 4.481 -10.543 1.00 0.00 C ATOM 741 CE LYS A 66 9.157 4.318 -9.555 1.00 0.00 C ATOM 742 NZ LYS A 66 8.891 3.261 -8.541 1.00 0.00 N ATOM 0 H LYS A 66 10.344 1.880 -14.208 1.00 0.00 H new ATOM 0 HA LYS A 66 8.602 0.689 -12.182 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.803 2.811 -11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.956 3.566 -13.084 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.796 3.330 -11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.525 2.371 -10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.208 5.297 -11.231 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.089 4.762 -9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.064 4.071 -10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.339 5.267 -9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.630 3.288 -7.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.963 3.427 -8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.894 2.329 -9.002 1.00 0.00 H new ATOM 756 N LEU A 67 6.336 0.934 -13.268 1.00 0.00 N ATOM 757 CA LEU A 67 5.058 0.732 -13.959 1.00 0.00 C ATOM 758 C LEU A 67 4.003 1.713 -13.413 1.00 0.00 C ATOM 759 O LEU A 67 4.099 2.181 -12.270 1.00 0.00 O ATOM 760 CB LEU A 67 4.597 -0.776 -13.903 1.00 0.00 C ATOM 761 CG LEU A 67 4.968 -1.668 -12.661 1.00 0.00 C ATOM 762 CD1 LEU A 67 6.470 -2.019 -12.605 1.00 0.00 C ATOM 763 CD2 LEU A 67 4.491 -1.048 -11.347 1.00 0.00 C ATOM 0 H LEU A 67 6.302 0.690 -12.278 1.00 0.00 H new ATOM 0 HA LEU A 67 5.188 0.955 -15.018 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.511 -0.786 -13.996 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.998 -1.270 -14.788 1.00 0.00 H new ATOM 0 HG LEU A 67 4.432 -2.607 -12.795 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.667 -2.635 -11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.749 -2.568 -13.504 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.056 -1.102 -12.543 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.768 -1.697 -10.517 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.957 -0.071 -11.215 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.407 -0.933 -11.371 1.00 0.00 H new ATOM 775 N SER A 68 3.024 2.037 -14.265 1.00 0.00 N ATOM 776 CA SER A 68 2.008 3.054 -13.984 1.00 0.00 C ATOM 777 C SER A 68 0.805 2.457 -13.246 1.00 0.00 C ATOM 778 O SER A 68 0.250 1.450 -13.673 1.00 0.00 O ATOM 779 CB SER A 68 1.559 3.708 -15.300 1.00 0.00 C ATOM 780 OG SER A 68 2.664 4.271 -15.994 1.00 0.00 O ATOM 0 H SER A 68 2.915 1.595 -15.178 1.00 0.00 H new ATOM 0 HA SER A 68 2.448 3.810 -13.333 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.070 2.966 -15.930 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.823 4.484 -15.091 1.00 0.00 H new ATOM 0 HG SER A 68 2.352 4.679 -16.829 1.00 0.00 H new ATOM 786 N PHE A 69 0.410 3.121 -12.156 1.00 0.00 N ATOM 787 CA PHE A 69 -0.718 2.707 -11.297 1.00 0.00 C ATOM 788 C PHE A 69 -1.956 3.559 -11.608 1.00 0.00 C ATOM 789 O PHE A 69 -1.852 4.783 -11.745 1.00 0.00 O ATOM 790 CB PHE A 69 -0.348 2.815 -9.790 1.00 0.00 C ATOM 791 CG PHE A 69 0.680 1.783 -9.328 1.00 0.00 C ATOM 792 CD1 PHE A 69 2.029 1.952 -9.609 1.00 0.00 C ATOM 793 CD2 PHE A 69 0.298 0.643 -8.614 1.00 0.00 C ATOM 794 CE1 PHE A 69 2.961 1.028 -9.193 1.00 0.00 C ATOM 795 CE2 PHE A 69 1.236 -0.281 -8.199 1.00 0.00 C ATOM 796 CZ PHE A 69 2.564 -0.092 -8.493 1.00 0.00 C ATOM 0 H PHE A 69 0.867 3.974 -11.835 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.943 1.662 -11.510 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.041 3.814 -9.592 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.254 2.702 -9.195 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.352 2.821 -10.162 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.745 0.483 -8.384 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.007 1.181 -9.416 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.925 -1.153 -7.643 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.297 -0.820 -8.176 1.00 0.00 H new ATOM 806 N PHE A 70 -3.112 2.893 -11.768 1.00 0.00 N ATOM 807 CA PHE A 70 -4.400 3.559 -12.026 1.00 0.00 C ATOM 808 C PHE A 70 -5.482 3.074 -11.047 1.00 0.00 C ATOM 809 O PHE A 70 -5.629 1.886 -10.804 1.00 0.00 O ATOM 810 CB PHE A 70 -4.837 3.343 -13.502 1.00 0.00 C ATOM 811 CG PHE A 70 -3.894 3.997 -14.517 1.00 0.00 C ATOM 812 CD1 PHE A 70 -4.028 5.345 -14.850 1.00 0.00 C ATOM 813 CD2 PHE A 70 -2.864 3.275 -15.117 1.00 0.00 C ATOM 814 CE1 PHE A 70 -3.168 5.946 -15.751 1.00 0.00 C ATOM 815 CE2 PHE A 70 -2.003 3.878 -16.015 1.00 0.00 C ATOM 816 CZ PHE A 70 -2.156 5.213 -16.334 1.00 0.00 C ATOM 0 H PHE A 70 -3.180 1.876 -11.722 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.270 4.629 -11.863 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.891 2.273 -13.704 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.841 3.745 -13.639 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.816 5.929 -14.397 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.737 2.230 -14.877 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.289 6.990 -15.998 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.209 3.304 -16.468 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.485 5.682 -17.038 1.00 0.00 H new ATOM 826 N PHE A 71 -6.205 4.034 -10.467 1.00 0.00 N ATOM 827 CA PHE A 71 -7.375 3.796 -9.607 1.00 0.00 C ATOM 828 C PHE A 71 -8.570 4.498 -10.251 1.00 0.00 C ATOM 829 O PHE A 71 -8.619 5.731 -10.254 1.00 0.00 O ATOM 830 CB PHE A 71 -7.101 4.328 -8.174 1.00 0.00 C ATOM 831 CG PHE A 71 -8.327 4.435 -7.261 1.00 0.00 C ATOM 832 CD1 PHE A 71 -9.157 3.336 -7.030 1.00 0.00 C ATOM 833 CD2 PHE A 71 -8.651 5.642 -6.636 1.00 0.00 C ATOM 834 CE1 PHE A 71 -10.256 3.447 -6.202 1.00 0.00 C ATOM 835 CE2 PHE A 71 -9.750 5.743 -5.810 1.00 0.00 C ATOM 836 CZ PHE A 71 -10.555 4.648 -5.598 1.00 0.00 C ATOM 0 H PHE A 71 -5.991 5.025 -10.583 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.585 2.730 -9.515 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.371 3.674 -7.697 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.642 5.314 -8.253 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.937 2.391 -7.503 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.030 6.510 -6.803 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.885 2.587 -6.027 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.979 6.682 -5.329 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.421 4.730 -4.958 1.00 0.00 H new ATOM 846 N ASP A 72 -9.510 3.705 -10.811 1.00 0.00 N ATOM 847 CA ASP A 72 -10.648 4.211 -11.619 1.00 0.00 C ATOM 848 C ASP A 72 -10.127 5.000 -12.861 1.00 0.00 C ATOM 849 O ASP A 72 -10.823 5.837 -13.445 1.00 0.00 O ATOM 850 CB ASP A 72 -11.606 5.046 -10.699 1.00 0.00 C ATOM 851 CG ASP A 72 -12.867 5.596 -11.392 1.00 0.00 C ATOM 852 OD1 ASP A 72 -13.695 4.792 -11.870 1.00 0.00 O ATOM 853 OD2 ASP A 72 -13.036 6.835 -11.463 1.00 0.00 O ATOM 0 H ASP A 72 -9.503 2.689 -10.716 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.231 3.381 -12.018 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.915 4.421 -9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.045 5.883 -10.283 1.00 0.00 H new ATOM 858 N GLY A 73 -8.898 4.647 -13.302 1.00 0.00 N ATOM 859 CA GLY A 73 -8.230 5.326 -14.420 1.00 0.00 C ATOM 860 C GLY A 73 -7.426 6.567 -14.014 1.00 0.00 C ATOM 861 O GLY A 73 -6.786 7.186 -14.870 1.00 0.00 O ATOM 0 H GLY A 73 -8.351 3.890 -12.893 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.562 4.619 -14.912 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.981 5.618 -15.154 1.00 0.00 H new ATOM 865 N THR A 74 -7.461 6.937 -12.718 1.00 0.00 N ATOM 866 CA THR A 74 -6.657 8.057 -12.174 1.00 0.00 C ATOM 867 C THR A 74 -5.179 7.649 -12.073 1.00 0.00 C ATOM 868 O THR A 74 -4.864 6.628 -11.461 1.00 0.00 O ATOM 869 CB THR A 74 -7.174 8.486 -10.755 1.00 0.00 C ATOM 870 OG1 THR A 74 -8.546 8.894 -10.843 1.00 0.00 O ATOM 871 CG2 THR A 74 -6.341 9.624 -10.122 1.00 0.00 C ATOM 0 H THR A 74 -8.043 6.473 -12.020 1.00 0.00 H new ATOM 0 HA THR A 74 -6.759 8.902 -12.855 1.00 0.00 H new ATOM 0 HB THR A 74 -7.071 7.615 -10.108 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.866 9.159 -9.956 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.750 9.873 -9.143 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.306 9.299 -10.011 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.378 10.503 -10.765 1.00 0.00 H new ATOM 879 N LYS A 75 -4.292 8.457 -12.679 1.00 0.00 N ATOM 880 CA LYS A 75 -2.838 8.253 -12.594 1.00 0.00 C ATOM 881 C LYS A 75 -2.358 8.535 -11.155 1.00 0.00 C ATOM 882 O LYS A 75 -2.464 9.661 -10.663 1.00 0.00 O ATOM 883 CB LYS A 75 -2.085 9.149 -13.620 1.00 0.00 C ATOM 884 CG LYS A 75 -0.535 9.087 -13.539 1.00 0.00 C ATOM 885 CD LYS A 75 0.034 7.654 -13.713 1.00 0.00 C ATOM 886 CE LYS A 75 1.571 7.620 -13.628 1.00 0.00 C ATOM 887 NZ LYS A 75 2.085 8.117 -12.321 1.00 0.00 N ATOM 0 H LYS A 75 -4.562 9.266 -13.239 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.614 7.216 -12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.392 8.860 -14.625 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.399 10.183 -13.475 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.112 9.734 -14.308 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.213 9.484 -12.576 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.384 7.004 -12.945 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.283 7.254 -14.676 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.917 6.598 -13.785 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.989 8.226 -14.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.115 7.978 -12.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.867 9.129 -12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.632 7.591 -11.547 1.00 0.00 H new ATOM 901 N LEU A 76 -1.882 7.478 -10.491 1.00 0.00 N ATOM 902 CA LEU A 76 -1.284 7.545 -9.154 1.00 0.00 C ATOM 903 C LEU A 76 0.244 7.683 -9.353 1.00 0.00 C ATOM 904 O LEU A 76 0.841 6.853 -10.046 1.00 0.00 O ATOM 905 CB LEU A 76 -1.632 6.248 -8.355 1.00 0.00 C ATOM 906 CG LEU A 76 -3.094 5.712 -8.508 1.00 0.00 C ATOM 907 CD1 LEU A 76 -3.322 4.449 -7.654 1.00 0.00 C ATOM 908 CD2 LEU A 76 -4.133 6.813 -8.198 1.00 0.00 C ATOM 0 H LEU A 76 -1.902 6.533 -10.875 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.668 8.391 -8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.945 5.461 -8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.445 6.437 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.233 5.424 -9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.347 4.103 -7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.632 3.667 -7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.148 4.684 -6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.138 6.408 -8.314 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.998 7.163 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.996 7.647 -8.887 1.00 0.00 H new ATOM 920 N SER A 77 0.863 8.723 -8.777 1.00 0.00 N ATOM 921 CA SER A 77 2.283 9.076 -9.023 1.00 0.00 C ATOM 922 C SER A 77 3.189 8.850 -7.791 1.00 0.00 C ATOM 923 O SER A 77 4.421 8.846 -7.925 1.00 0.00 O ATOM 924 CB SER A 77 2.341 10.544 -9.491 1.00 0.00 C ATOM 925 OG SER A 77 1.614 10.703 -10.703 1.00 0.00 O ATOM 0 H SER A 77 0.397 9.351 -8.122 1.00 0.00 H new ATOM 0 HA SER A 77 2.673 8.412 -9.794 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.926 11.195 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.378 10.845 -9.638 1.00 0.00 H new ATOM 0 HG SER A 77 1.656 11.639 -10.990 1.00 0.00 H new ATOM 931 N GLY A 78 2.585 8.661 -6.604 1.00 0.00 N ATOM 932 CA GLY A 78 3.337 8.361 -5.379 1.00 0.00 C ATOM 933 C GLY A 78 2.798 9.067 -4.146 1.00 0.00 C ATOM 934 O GLY A 78 2.326 8.413 -3.211 1.00 0.00 O ATOM 0 H GLY A 78 1.575 8.712 -6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.321 7.285 -5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.379 8.645 -5.524 1.00 0.00 H new ATOM 938 N ARG A 79 2.851 10.415 -4.166 1.00 0.00 N ATOM 939 CA ARG A 79 2.622 11.271 -2.967 1.00 0.00 C ATOM 940 C ARG A 79 1.141 11.429 -2.599 1.00 0.00 C ATOM 941 O ARG A 79 0.831 12.030 -1.559 1.00 0.00 O ATOM 942 CB ARG A 79 3.275 12.662 -3.193 1.00 0.00 C ATOM 943 CG ARG A 79 4.809 12.627 -3.374 1.00 0.00 C ATOM 944 CD ARG A 79 5.405 14.018 -3.659 1.00 0.00 C ATOM 945 NE ARG A 79 5.120 14.991 -2.583 1.00 0.00 N ATOM 946 CZ ARG A 79 5.175 16.331 -2.708 1.00 0.00 C ATOM 947 NH1 ARG A 79 5.470 16.901 -3.874 1.00 0.00 N ATOM 948 NH2 ARG A 79 4.923 17.098 -1.654 1.00 0.00 N ATOM 0 H ARG A 79 3.054 10.948 -5.012 1.00 0.00 H new ATOM 0 HA ARG A 79 3.088 10.765 -2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.828 13.120 -4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.036 13.304 -2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.268 12.217 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.059 11.954 -4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.484 13.928 -3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.004 14.395 -4.600 1.00 0.00 H new ATOM 0 HE ARG A 79 4.860 14.617 -1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.659 16.321 -4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.507 17.918 -3.950 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.690 16.672 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.963 18.113 -1.741 1.00 0.00 H new ATOM 962 N GLU A 80 0.229 10.896 -3.418 1.00 0.00 N ATOM 963 CA GLU A 80 -1.192 10.885 -3.082 1.00 0.00 C ATOM 964 C GLU A 80 -1.445 9.707 -2.138 1.00 0.00 C ATOM 965 O GLU A 80 -0.794 8.663 -2.221 1.00 0.00 O ATOM 966 CB GLU A 80 -2.103 10.815 -4.351 1.00 0.00 C ATOM 967 CG GLU A 80 -2.042 9.514 -5.188 1.00 0.00 C ATOM 968 CD GLU A 80 -0.683 9.226 -5.827 1.00 0.00 C ATOM 969 OE1 GLU A 80 -0.073 10.161 -6.390 1.00 0.00 O ATOM 970 OE2 GLU A 80 -0.211 8.077 -5.775 1.00 0.00 O ATOM 0 H GLU A 80 0.452 10.468 -4.316 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.453 11.821 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.135 10.967 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.842 11.649 -5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.312 8.674 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.794 9.570 -5.975 1.00 0.00 H new ATOM 977 N LEU A 81 -2.396 9.907 -1.257 1.00 0.00 N ATOM 978 CA LEU A 81 -2.784 8.972 -0.208 1.00 0.00 C ATOM 979 C LEU A 81 -4.038 8.215 -0.681 1.00 0.00 C ATOM 980 O LEU A 81 -4.794 8.757 -1.493 1.00 0.00 O ATOM 981 CB LEU A 81 -3.082 9.804 1.073 1.00 0.00 C ATOM 982 CG LEU A 81 -2.016 10.894 1.451 1.00 0.00 C ATOM 983 CD1 LEU A 81 -2.511 11.841 2.554 1.00 0.00 C ATOM 984 CD2 LEU A 81 -0.682 10.260 1.857 1.00 0.00 C ATOM 0 H LEU A 81 -2.951 10.763 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.000 8.247 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.046 10.296 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.183 9.117 1.913 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.858 11.489 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.737 12.575 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.411 12.355 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.737 11.267 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.031 11.044 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.834 9.614 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.292 9.670 1.027 1.00 0.00 H new ATOM 996 N PRO A 82 -4.299 6.964 -0.207 1.00 0.00 N ATOM 997 CA PRO A 82 -5.523 6.226 -0.589 1.00 0.00 C ATOM 998 C PRO A 82 -6.793 6.916 -0.033 1.00 0.00 C ATOM 999 O PRO A 82 -7.817 6.976 -0.714 1.00 0.00 O ATOM 1000 CB PRO A 82 -5.290 4.813 0.000 1.00 0.00 C ATOM 1001 CG PRO A 82 -4.340 5.038 1.129 1.00 0.00 C ATOM 1002 CD PRO A 82 -3.434 6.162 0.696 1.00 0.00 C ATOM 0 HA PRO A 82 -5.693 6.192 -1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.222 4.368 0.347 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.871 4.136 -0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.875 5.299 2.042 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.767 4.136 1.342 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.085 6.749 1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.549 5.790 0.180 1.00 0.00 H new ATOM 1010 N ALA A 83 -6.684 7.486 1.187 1.00 0.00 N ATOM 1011 CA ALA A 83 -7.762 8.292 1.801 1.00 0.00 C ATOM 1012 C ALA A 83 -8.007 9.588 1.000 1.00 0.00 C ATOM 1013 O ALA A 83 -9.138 10.077 0.926 1.00 0.00 O ATOM 1014 CB ALA A 83 -7.426 8.616 3.264 1.00 0.00 C ATOM 0 H ALA A 83 -5.852 7.401 1.771 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.679 7.703 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.230 9.209 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.314 7.689 3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.495 9.180 3.307 1.00 0.00 H new ATOM 1020 N ASP A 84 -6.922 10.134 0.413 1.00 0.00 N ATOM 1021 CA ASP A 84 -6.977 11.323 -0.469 1.00 0.00 C ATOM 1022 C ASP A 84 -7.753 11.003 -1.766 1.00 0.00 C ATOM 1023 O ASP A 84 -8.595 11.793 -2.205 1.00 0.00 O ATOM 1024 CB ASP A 84 -5.535 11.805 -0.790 1.00 0.00 C ATOM 1025 CG ASP A 84 -5.454 12.940 -1.832 1.00 0.00 C ATOM 1026 OD1 ASP A 84 -5.730 14.106 -1.476 1.00 0.00 O ATOM 1027 OD2 ASP A 84 -5.090 12.669 -2.999 1.00 0.00 O ATOM 0 H ASP A 84 -5.980 9.763 0.536 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.507 12.124 0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.065 12.143 0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.954 10.956 -1.151 1.00 0.00 H new ATOM 1032 N LEU A 85 -7.465 9.822 -2.345 1.00 0.00 N ATOM 1033 CA LEU A 85 -8.080 9.357 -3.606 1.00 0.00 C ATOM 1034 C LEU A 85 -9.532 8.893 -3.402 1.00 0.00 C ATOM 1035 O LEU A 85 -10.326 8.917 -4.342 1.00 0.00 O ATOM 1036 CB LEU A 85 -7.253 8.181 -4.177 1.00 0.00 C ATOM 1037 CG LEU A 85 -5.785 8.521 -4.597 1.00 0.00 C ATOM 1038 CD1 LEU A 85 -4.961 7.241 -4.770 1.00 0.00 C ATOM 1039 CD2 LEU A 85 -5.748 9.387 -5.887 1.00 0.00 C ATOM 0 H LEU A 85 -6.797 9.160 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.087 10.198 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.223 7.387 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.776 7.782 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.338 9.110 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.943 7.500 -5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.940 6.692 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.413 6.619 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.713 9.604 -6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.223 8.844 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.282 10.321 -5.714 1.00 0.00 H new ATOM 1051 N GLY A 86 -9.866 8.480 -2.169 1.00 0.00 N ATOM 1052 CA GLY A 86 -11.184 7.915 -1.862 1.00 0.00 C ATOM 1053 C GLY A 86 -11.201 6.394 -2.011 1.00 0.00 C ATOM 1054 O GLY A 86 -12.017 5.843 -2.759 1.00 0.00 O ATOM 0 H GLY A 86 -9.237 8.528 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.466 8.183 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.930 8.353 -2.525 1.00 0.00 H new ATOM 1058 N MET A 87 -10.275 5.722 -1.295 1.00 0.00 N ATOM 1059 CA MET A 87 -10.150 4.246 -1.281 1.00 0.00 C ATOM 1060 C MET A 87 -10.711 3.666 0.030 1.00 0.00 C ATOM 1061 O MET A 87 -10.833 4.376 1.038 1.00 0.00 O ATOM 1062 CB MET A 87 -8.668 3.790 -1.449 1.00 0.00 C ATOM 1063 CG MET A 87 -8.061 4.025 -2.835 1.00 0.00 C ATOM 1064 SD MET A 87 -6.365 3.402 -2.933 1.00 0.00 S ATOM 1065 CE MET A 87 -5.941 3.720 -4.640 1.00 0.00 C ATOM 0 H MET A 87 -9.587 6.191 -0.705 1.00 0.00 H new ATOM 0 HA MET A 87 -10.727 3.870 -2.126 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.059 4.312 -0.711 1.00 0.00 H new ATOM 0 HB3 MET A 87 -8.605 2.726 -1.219 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.674 3.533 -3.590 1.00 0.00 H new ATOM 0 HG3 MET A 87 -8.071 5.091 -3.062 1.00 0.00 H new ATOM 0 HE1 MET A 87 -5.561 2.806 -5.097 1.00 0.00 H new ATOM 0 HE2 MET A 87 -6.828 4.054 -5.179 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.175 4.494 -4.687 1.00 0.00 H new ATOM 1075 N GLU A 88 -11.001 2.354 0.007 1.00 0.00 N ATOM 1076 CA GLU A 88 -11.506 1.602 1.171 1.00 0.00 C ATOM 1077 C GLU A 88 -11.003 0.145 1.075 1.00 0.00 C ATOM 1078 O GLU A 88 -10.603 -0.297 -0.005 1.00 0.00 O ATOM 1079 CB GLU A 88 -13.065 1.678 1.238 1.00 0.00 C ATOM 1080 CG GLU A 88 -13.708 1.090 2.520 1.00 0.00 C ATOM 1081 CD GLU A 88 -13.206 1.757 3.818 1.00 0.00 C ATOM 1082 OE1 GLU A 88 -13.722 2.832 4.185 1.00 0.00 O ATOM 1083 OE2 GLU A 88 -12.286 1.208 4.477 1.00 0.00 O ATOM 0 H GLU A 88 -10.891 1.779 -0.828 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.129 2.042 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.364 2.722 1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.474 1.154 0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.791 1.201 2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.499 0.021 2.565 1.00 0.00 H new ATOM 1090 N SER A 89 -11.007 -0.581 2.210 1.00 0.00 N ATOM 1091 CA SER A 89 -10.487 -1.960 2.293 1.00 0.00 C ATOM 1092 C SER A 89 -11.302 -2.908 1.382 1.00 0.00 C ATOM 1093 O SER A 89 -12.512 -3.084 1.575 1.00 0.00 O ATOM 1094 CB SER A 89 -10.506 -2.460 3.758 1.00 0.00 C ATOM 1095 OG SER A 89 -9.829 -3.702 3.879 1.00 0.00 O ATOM 0 H SER A 89 -11.371 -0.228 3.095 1.00 0.00 H new ATOM 0 HA SER A 89 -9.454 -1.958 1.944 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.035 -1.720 4.405 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.537 -2.569 4.096 1.00 0.00 H new ATOM 0 HG SER A 89 -9.852 -3.998 4.813 1.00 0.00 H new ATOM 1101 N GLY A 90 -10.618 -3.499 0.393 1.00 0.00 N ATOM 1102 CA GLY A 90 -11.255 -4.325 -0.639 1.00 0.00 C ATOM 1103 C GLY A 90 -11.466 -3.541 -1.924 1.00 0.00 C ATOM 1104 O GLY A 90 -12.514 -3.653 -2.574 1.00 0.00 O ATOM 0 H GLY A 90 -9.607 -3.417 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.636 -5.199 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.214 -4.692 -0.273 1.00 0.00 H new ATOM 1108 N ASP A 91 -10.447 -2.736 -2.284 1.00 0.00 N ATOM 1109 CA ASP A 91 -10.471 -1.885 -3.496 1.00 0.00 C ATOM 1110 C ASP A 91 -9.593 -2.525 -4.590 1.00 0.00 C ATOM 1111 O ASP A 91 -9.020 -3.612 -4.389 1.00 0.00 O ATOM 1112 CB ASP A 91 -9.992 -0.429 -3.159 1.00 0.00 C ATOM 1113 CG ASP A 91 -10.790 0.679 -3.873 1.00 0.00 C ATOM 1114 OD1 ASP A 91 -11.057 0.547 -5.087 1.00 0.00 O ATOM 1115 OD2 ASP A 91 -11.161 1.676 -3.218 1.00 0.00 O ATOM 0 H ASP A 91 -9.584 -2.656 -1.746 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.493 -1.814 -3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.062 -0.275 -2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.940 -0.334 -3.427 1.00 0.00 H new ATOM 1120 N LEU A 92 -9.439 -1.826 -5.729 1.00 0.00 N ATOM 1121 CA LEU A 92 -8.741 -2.352 -6.903 1.00 0.00 C ATOM 1122 C LEU A 92 -7.860 -1.245 -7.515 1.00 0.00 C ATOM 1123 O LEU A 92 -8.280 -0.091 -7.658 1.00 0.00 O ATOM 1124 CB LEU A 92 -9.741 -2.891 -7.962 1.00 0.00 C ATOM 1125 CG LEU A 92 -9.099 -3.681 -9.156 1.00 0.00 C ATOM 1126 CD1 LEU A 92 -8.417 -4.980 -8.665 1.00 0.00 C ATOM 1127 CD2 LEU A 92 -10.133 -3.965 -10.273 1.00 0.00 C ATOM 0 H LEU A 92 -9.798 -0.880 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.114 -3.186 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.457 -3.542 -7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.304 -2.050 -8.366 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.325 -3.049 -9.590 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.981 -5.506 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.632 -4.731 -7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.157 -5.619 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.652 -4.513 -11.083 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.952 -4.560 -9.868 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.524 -3.022 -10.655 1.00 0.00 H new ATOM 1139 N ILE A 93 -6.631 -1.638 -7.840 1.00 0.00 N ATOM 1140 CA ILE A 93 -5.620 -0.790 -8.492 1.00 0.00 C ATOM 1141 C ILE A 93 -5.117 -1.521 -9.745 1.00 0.00 C ATOM 1142 O ILE A 93 -5.103 -2.757 -9.788 1.00 0.00 O ATOM 1143 CB ILE A 93 -4.432 -0.424 -7.512 1.00 0.00 C ATOM 1144 CG1 ILE A 93 -4.997 0.191 -6.190 1.00 0.00 C ATOM 1145 CG2 ILE A 93 -3.414 0.545 -8.180 1.00 0.00 C ATOM 1146 CD1 ILE A 93 -3.962 0.489 -5.131 1.00 0.00 C ATOM 0 H ILE A 93 -6.295 -2.583 -7.654 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.073 0.160 -8.777 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.896 -1.343 -7.274 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.523 1.114 -6.432 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.734 -0.496 -5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.613 0.773 -7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.993 0.075 -9.069 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.921 1.467 -8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.451 0.912 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.451 -0.432 -4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.237 1.203 -5.522 1.00 0.00 H new ATOM 1158 N GLU A 94 -4.706 -0.749 -10.757 1.00 0.00 N ATOM 1159 CA GLU A 94 -4.352 -1.241 -12.096 1.00 0.00 C ATOM 1160 C GLU A 94 -2.870 -0.906 -12.327 1.00 0.00 C ATOM 1161 O GLU A 94 -2.343 0.010 -11.694 1.00 0.00 O ATOM 1162 CB GLU A 94 -5.263 -0.551 -13.154 1.00 0.00 C ATOM 1163 CG GLU A 94 -6.771 -0.643 -12.830 1.00 0.00 C ATOM 1164 CD GLU A 94 -7.658 0.223 -13.742 1.00 0.00 C ATOM 1165 OE1 GLU A 94 -7.761 1.454 -13.505 1.00 0.00 O ATOM 1166 OE2 GLU A 94 -8.250 -0.316 -14.705 1.00 0.00 O ATOM 0 H GLU A 94 -4.607 0.262 -10.666 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.502 -2.317 -12.184 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.981 0.499 -13.234 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.081 -1.005 -14.128 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.088 -1.683 -12.912 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.929 -0.343 -11.794 1.00 0.00 H new ATOM 1173 N VAL A 95 -2.201 -1.645 -13.220 1.00 0.00 N ATOM 1174 CA VAL A 95 -0.744 -1.517 -13.463 1.00 0.00 C ATOM 1175 C VAL A 95 -0.442 -1.632 -14.970 1.00 0.00 C ATOM 1176 O VAL A 95 -1.031 -2.456 -15.671 1.00 0.00 O ATOM 1177 CB VAL A 95 0.076 -2.578 -12.623 1.00 0.00 C ATOM 1178 CG1 VAL A 95 1.504 -2.821 -13.180 1.00 0.00 C ATOM 1179 CG2 VAL A 95 0.135 -2.165 -11.132 1.00 0.00 C ATOM 0 H VAL A 95 -2.649 -2.354 -13.801 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.425 -0.530 -13.127 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.457 -3.524 -12.712 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.015 -3.558 -12.561 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.437 -3.190 -14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.064 -1.886 -13.167 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.703 -2.907 -10.571 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.620 -1.193 -11.043 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.877 -2.104 -10.731 1.00 0.00 H new ATOM 1189 N TRP A 96 0.490 -0.783 -15.444 1.00 0.00 N ATOM 1190 CA TRP A 96 0.866 -0.654 -16.861 1.00 0.00 C ATOM 1191 C TRP A 96 2.402 -0.585 -16.986 1.00 0.00 C ATOM 1192 O TRP A 96 3.001 0.487 -16.837 1.00 0.00 O ATOM 1193 CB TRP A 96 0.176 0.608 -17.464 1.00 0.00 C ATOM 1194 CG TRP A 96 -1.278 0.370 -17.843 1.00 0.00 C ATOM 1195 CD1 TRP A 96 -2.371 0.400 -17.016 1.00 0.00 C ATOM 1196 CD2 TRP A 96 -1.782 0.044 -19.147 1.00 0.00 C ATOM 1197 NE1 TRP A 96 -3.507 0.119 -17.724 1.00 0.00 N ATOM 1198 CE2 TRP A 96 -3.176 -0.102 -19.030 1.00 0.00 C ATOM 1199 CE3 TRP A 96 -1.187 -0.138 -20.401 1.00 0.00 C ATOM 1200 CZ2 TRP A 96 -3.987 -0.415 -20.120 1.00 0.00 C ATOM 1201 CZ3 TRP A 96 -1.993 -0.450 -21.484 1.00 0.00 C ATOM 1202 CH2 TRP A 96 -3.381 -0.587 -21.336 1.00 0.00 C ATOM 0 H TRP A 96 1.014 -0.154 -14.836 1.00 0.00 H new ATOM 0 HA TRP A 96 0.528 -1.524 -17.423 1.00 0.00 H new ATOM 0 HB2 TRP A 96 0.228 1.423 -16.742 1.00 0.00 H new ATOM 0 HB3 TRP A 96 0.728 0.929 -18.348 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.340 0.615 -15.958 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -4.450 0.081 -17.338 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.119 -0.037 -20.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -5.056 -0.518 -20.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -1.546 -0.590 -22.457 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -3.984 -0.833 -22.198 1.00 0.00 H new ATOM 1213 N GLY A 97 3.029 -1.753 -17.238 1.00 0.00 N ATOM 1214 CA GLY A 97 4.492 -1.879 -17.319 1.00 0.00 C ATOM 1215 C GLY A 97 4.943 -2.400 -18.680 1.00 0.00 C ATOM 1216 O GLY A 97 5.209 -1.580 -19.583 1.00 0.00 O ATOM 1217 OXT GLY A 97 5.019 -3.635 -18.868 1.00 0.00 O ATOM 0 H GLY A 97 2.533 -2.631 -17.390 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.951 -0.908 -17.131 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.842 -2.554 -16.538 1.00 0.00 H new TER 1221 GLY A 97