USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 629 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= -0.236 (180deg=-0.708) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0336 X(o=-0.034,f=-0.034) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00365) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 73 THR OG1 : rot 64:sc= 0.361 USER MOD Single : A 75 ASN : amide:sc= -0.746 X(o=-0.75,f=-0.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 155:sc= -0.0887 (180deg=-0.573) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.974 17.740 -11.438 1.00 0.00 N ATOM 2 CA MET A 1 10.088 18.349 -10.650 1.00 0.00 C ATOM 3 C MET A 1 9.655 19.660 -9.942 1.00 0.00 C ATOM 4 O MET A 1 10.463 20.575 -9.779 1.00 0.00 O ATOM 5 CB MET A 1 11.340 18.540 -11.552 1.00 0.00 C ATOM 6 CG MET A 1 11.918 17.201 -12.051 1.00 0.00 C ATOM 7 SD MET A 1 13.086 17.284 -13.446 1.00 0.00 S ATOM 8 CE MET A 1 14.666 17.592 -12.608 1.00 0.00 C ATOM 0 H1 MET A 1 8.728 16.814 -11.033 1.00 0.00 H new ATOM 0 H2 MET A 1 8.143 18.364 -11.404 1.00 0.00 H new ATOM 0 H3 MET A 1 9.275 17.617 -12.426 1.00 0.00 H new ATOM 0 HA MET A 1 10.358 17.660 -9.849 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.075 19.160 -12.409 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.107 19.078 -10.994 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.420 16.715 -11.215 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.087 16.558 -12.341 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.463 17.664 -13.348 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.605 18.526 -12.049 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.880 16.772 -11.923 1.00 0.00 H new ATOM 20 N HIS A 2 8.390 19.782 -9.495 1.00 0.00 N ATOM 21 CA HIS A 2 7.854 20.986 -8.821 1.00 0.00 C ATOM 22 C HIS A 2 8.023 20.989 -7.288 1.00 0.00 C ATOM 23 O HIS A 2 8.013 22.056 -6.669 1.00 0.00 O ATOM 24 CB HIS A 2 6.363 21.136 -9.165 1.00 0.00 C ATOM 25 CG HIS A 2 6.112 21.523 -10.602 1.00 0.00 C ATOM 26 ND1 HIS A 2 6.371 22.757 -11.159 1.00 0.00 N ATOM 27 CD2 HIS A 2 5.562 20.733 -11.576 1.00 0.00 C ATOM 28 CE1 HIS A 2 5.993 22.715 -12.448 1.00 0.00 C ATOM 29 NE2 HIS A 2 5.497 21.500 -12.747 1.00 0.00 N ATOM 0 H HIS A 2 7.700 19.037 -9.592 1.00 0.00 H new ATOM 0 HA HIS A 2 8.441 21.827 -9.192 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.854 20.195 -8.956 1.00 0.00 H new ATOM 0 HB3 HIS A 2 5.922 21.889 -8.512 1.00 0.00 H new ATOM 0 HD2 HIS A 2 5.238 19.709 -11.463 1.00 0.00 H new ATOM 0 HE1 HIS A 2 6.075 23.537 -13.143 1.00 0.00 H new ATOM 0 HE2 HIS A 2 5.142 21.196 -13.653 1.00 0.00 H new ATOM 37 N HIS A 3 8.199 19.814 -6.676 1.00 0.00 N ATOM 38 CA HIS A 3 8.431 19.618 -5.239 1.00 0.00 C ATOM 39 C HIS A 3 9.704 18.786 -5.002 1.00 0.00 C ATOM 40 O HIS A 3 10.214 18.128 -5.916 1.00 0.00 O ATOM 41 CB HIS A 3 7.201 18.937 -4.608 1.00 0.00 C ATOM 42 CG HIS A 3 5.935 19.757 -4.666 1.00 0.00 C ATOM 43 ND1 HIS A 3 4.881 19.565 -5.533 1.00 0.00 N ATOM 44 CD2 HIS A 3 5.606 20.795 -3.835 1.00 0.00 C ATOM 45 CE1 HIS A 3 3.933 20.473 -5.237 1.00 0.00 C ATOM 46 NE2 HIS A 3 4.331 21.245 -4.208 1.00 0.00 N ATOM 0 H HIS A 3 8.183 18.933 -7.190 1.00 0.00 H new ATOM 0 HA HIS A 3 8.578 20.588 -4.765 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.028 17.987 -5.114 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.423 18.707 -3.566 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.217 21.194 -3.038 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.988 20.569 -5.751 1.00 0.00 H new ATOM 0 HE2 HIS A 3 3.807 22.009 -3.782 1.00 0.00 H new ATOM 54 N HIS A 4 10.190 18.781 -3.759 1.00 0.00 N ATOM 55 CA HIS A 4 11.340 17.992 -3.305 1.00 0.00 C ATOM 56 C HIS A 4 11.004 17.199 -2.031 1.00 0.00 C ATOM 57 O HIS A 4 10.068 17.533 -1.297 1.00 0.00 O ATOM 58 CB HIS A 4 12.545 18.925 -3.095 1.00 0.00 C ATOM 59 CG HIS A 4 13.025 19.593 -4.364 1.00 0.00 C ATOM 60 ND1 HIS A 4 13.580 18.957 -5.454 1.00 0.00 N ATOM 61 CD2 HIS A 4 12.985 20.935 -4.641 1.00 0.00 C ATOM 62 CE1 HIS A 4 13.865 19.893 -6.375 1.00 0.00 C ATOM 63 NE2 HIS A 4 13.524 21.113 -5.922 1.00 0.00 N ATOM 0 H HIS A 4 9.781 19.345 -3.014 1.00 0.00 H new ATOM 0 HA HIS A 4 11.596 17.258 -4.070 1.00 0.00 H new ATOM 0 HB2 HIS A 4 12.276 19.693 -2.370 1.00 0.00 H new ATOM 0 HB3 HIS A 4 13.366 18.352 -2.663 1.00 0.00 H new ATOM 0 HD2 HIS A 4 12.608 21.711 -3.992 1.00 0.00 H new ATOM 0 HE1 HIS A 4 14.305 19.694 -7.341 1.00 0.00 H new ATOM 0 HE2 HIS A 4 13.636 21.998 -6.416 1.00 0.00 H new ATOM 71 N HIS A 5 11.793 16.157 -1.756 1.00 0.00 N ATOM 72 CA HIS A 5 11.619 15.225 -0.639 1.00 0.00 C ATOM 73 C HIS A 5 12.913 15.145 0.185 1.00 0.00 C ATOM 74 O HIS A 5 13.976 14.818 -0.351 1.00 0.00 O ATOM 75 CB HIS A 5 11.212 13.842 -1.179 1.00 0.00 C ATOM 76 CG HIS A 5 9.958 13.849 -2.020 1.00 0.00 C ATOM 77 ND1 HIS A 5 8.666 13.984 -1.559 1.00 0.00 N ATOM 78 CD2 HIS A 5 9.900 13.712 -3.383 1.00 0.00 C ATOM 79 CE1 HIS A 5 7.842 13.932 -2.621 1.00 0.00 C ATOM 80 NE2 HIS A 5 8.549 13.769 -3.754 1.00 0.00 N ATOM 0 H HIS A 5 12.605 15.930 -2.330 1.00 0.00 H new ATOM 0 HA HIS A 5 10.826 15.583 0.018 1.00 0.00 H new ATOM 0 HB2 HIS A 5 12.033 13.441 -1.774 1.00 0.00 H new ATOM 0 HB3 HIS A 5 11.068 13.164 -0.338 1.00 0.00 H new ATOM 0 HD2 HIS A 5 10.741 13.584 -4.049 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.766 14.010 -2.571 1.00 0.00 H new ATOM 0 HE2 HIS A 5 8.174 13.700 -4.700 1.00 0.00 H new ATOM 88 N HIS A 6 12.841 15.464 1.482 1.00 0.00 N ATOM 89 CA HIS A 6 13.986 15.368 2.393 1.00 0.00 C ATOM 90 C HIS A 6 14.501 13.921 2.522 1.00 0.00 C ATOM 91 O HIS A 6 13.720 12.965 2.560 1.00 0.00 O ATOM 92 CB HIS A 6 13.607 15.934 3.771 1.00 0.00 C ATOM 93 CG HIS A 6 13.383 17.428 3.774 1.00 0.00 C ATOM 94 ND1 HIS A 6 14.297 18.386 3.389 1.00 0.00 N ATOM 95 CD2 HIS A 6 12.255 18.078 4.198 1.00 0.00 C ATOM 96 CE1 HIS A 6 13.732 19.592 3.567 1.00 0.00 C ATOM 97 NE2 HIS A 6 12.487 19.453 4.059 1.00 0.00 N ATOM 0 H HIS A 6 11.987 15.796 1.929 1.00 0.00 H new ATOM 0 HA HIS A 6 14.799 15.960 1.972 1.00 0.00 H new ATOM 0 HB2 HIS A 6 12.701 15.439 4.120 1.00 0.00 H new ATOM 0 HB3 HIS A 6 14.397 15.693 4.483 1.00 0.00 H new ATOM 0 HD2 HIS A 6 11.353 17.616 4.571 1.00 0.00 H new ATOM 0 HE1 HIS A 6 14.208 20.536 3.347 1.00 0.00 H new ATOM 0 HE2 HIS A 6 11.837 20.205 4.287 1.00 0.00 H new ATOM 105 N HIS A 7 15.823 13.771 2.615 1.00 0.00 N ATOM 106 CA HIS A 7 16.522 12.493 2.774 1.00 0.00 C ATOM 107 C HIS A 7 17.776 12.659 3.653 1.00 0.00 C ATOM 108 O HIS A 7 18.518 13.635 3.519 1.00 0.00 O ATOM 109 CB HIS A 7 16.870 11.918 1.387 1.00 0.00 C ATOM 110 CG HIS A 7 17.860 12.732 0.583 1.00 0.00 C ATOM 111 ND1 HIS A 7 19.193 12.431 0.397 1.00 0.00 N ATOM 112 CD2 HIS A 7 17.600 13.895 -0.093 1.00 0.00 C ATOM 113 CE1 HIS A 7 19.733 13.399 -0.364 1.00 0.00 C ATOM 114 NE2 HIS A 7 18.799 14.313 -0.689 1.00 0.00 N ATOM 0 H HIS A 7 16.461 14.566 2.580 1.00 0.00 H new ATOM 0 HA HIS A 7 15.867 11.787 3.284 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.272 10.913 1.518 1.00 0.00 H new ATOM 0 HB3 HIS A 7 15.950 11.821 0.810 1.00 0.00 H new ATOM 0 HD2 HIS A 7 16.646 14.398 -0.156 1.00 0.00 H new ATOM 0 HE1 HIS A 7 20.768 13.438 -0.671 1.00 0.00 H new ATOM 0 HE2 HIS A 7 18.937 15.148 -1.259 1.00 0.00 H new ATOM 122 N SER A 8 18.012 11.705 4.558 1.00 0.00 N ATOM 123 CA SER A 8 19.232 11.597 5.371 1.00 0.00 C ATOM 124 C SER A 8 19.388 10.181 5.939 1.00 0.00 C ATOM 125 O SER A 8 18.410 9.566 6.372 1.00 0.00 O ATOM 126 CB SER A 8 19.195 12.609 6.525 1.00 0.00 C ATOM 127 OG SER A 8 20.451 12.625 7.183 1.00 0.00 O ATOM 0 H SER A 8 17.340 10.963 4.753 1.00 0.00 H new ATOM 0 HA SER A 8 20.084 11.813 4.727 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.960 13.603 6.143 1.00 0.00 H new ATOM 0 HB3 SER A 8 18.407 12.344 7.230 1.00 0.00 H new ATOM 0 HG SER A 8 20.427 13.272 7.918 1.00 0.00 H new ATOM 133 N SER A 9 20.616 9.654 5.940 1.00 0.00 N ATOM 134 CA SER A 9 20.960 8.345 6.509 1.00 0.00 C ATOM 135 C SER A 9 21.326 8.470 7.998 1.00 0.00 C ATOM 136 O SER A 9 22.285 9.161 8.354 1.00 0.00 O ATOM 137 CB SER A 9 22.113 7.720 5.716 1.00 0.00 C ATOM 138 OG SER A 9 22.313 6.368 6.103 1.00 0.00 O ATOM 0 H SER A 9 21.419 10.136 5.536 1.00 0.00 H new ATOM 0 HA SER A 9 20.089 7.694 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 9 21.896 7.770 4.649 1.00 0.00 H new ATOM 0 HB3 SER A 9 23.027 8.290 5.883 1.00 0.00 H new ATOM 0 HG SER A 9 23.052 5.985 5.585 1.00 0.00 H new ATOM 144 N GLY A 10 20.559 7.814 8.876 1.00 0.00 N ATOM 145 CA GLY A 10 20.838 7.732 10.318 1.00 0.00 C ATOM 146 C GLY A 10 20.506 9.000 11.120 1.00 0.00 C ATOM 147 O GLY A 10 21.266 9.374 12.018 1.00 0.00 O ATOM 0 H GLY A 10 19.712 7.316 8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.272 6.899 10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.894 7.500 10.455 1.00 0.00 H new ATOM 151 N LEU A 11 19.389 9.669 10.804 1.00 0.00 N ATOM 152 CA LEU A 11 18.909 10.894 11.465 1.00 0.00 C ATOM 153 C LEU A 11 17.403 10.788 11.773 1.00 0.00 C ATOM 154 O LEU A 11 16.560 11.242 10.997 1.00 0.00 O ATOM 155 CB LEU A 11 19.319 12.108 10.598 1.00 0.00 C ATOM 156 CG LEU A 11 19.248 13.483 11.300 1.00 0.00 C ATOM 157 CD1 LEU A 11 20.113 14.494 10.541 1.00 0.00 C ATOM 158 CD2 LEU A 11 17.837 14.075 11.373 1.00 0.00 C ATOM 0 H LEU A 11 18.771 9.362 10.053 1.00 0.00 H new ATOM 0 HA LEU A 11 19.375 11.034 12.441 1.00 0.00 H new ATOM 0 HB2 LEU A 11 20.338 11.952 10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 11 18.678 12.136 9.717 1.00 0.00 H new ATOM 0 HG LEU A 11 19.598 13.306 12.317 1.00 0.00 H new ATOM 0 HD11 LEU A 11 20.061 15.463 11.038 1.00 0.00 H new ATOM 0 HD12 LEU A 11 21.147 14.149 10.525 1.00 0.00 H new ATOM 0 HD13 LEU A 11 19.747 14.591 9.519 1.00 0.00 H new ATOM 0 HD21 LEU A 11 17.873 15.039 11.880 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.446 14.209 10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 11 17.187 13.398 11.927 1.00 0.00 H new ATOM 170 N VAL A 12 17.071 10.141 12.899 1.00 0.00 N ATOM 171 CA VAL A 12 15.708 9.981 13.458 1.00 0.00 C ATOM 172 C VAL A 12 15.751 9.424 14.905 1.00 0.00 C ATOM 173 O VAL A 12 15.642 8.212 15.113 1.00 0.00 O ATOM 174 CB VAL A 12 14.801 9.138 12.523 1.00 0.00 C ATOM 175 CG1 VAL A 12 15.407 7.779 12.123 1.00 0.00 C ATOM 176 CG2 VAL A 12 13.371 8.992 13.068 1.00 0.00 C ATOM 0 H VAL A 12 17.778 9.689 13.480 1.00 0.00 H new ATOM 0 HA VAL A 12 15.256 10.971 13.516 1.00 0.00 H new ATOM 0 HB VAL A 12 14.738 9.713 11.599 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.714 7.250 11.470 1.00 0.00 H new ATOM 0 HG12 VAL A 12 16.349 7.941 11.598 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.588 7.184 13.018 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.777 8.394 12.377 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.401 8.500 14.040 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.920 9.978 13.174 1.00 0.00 H new ATOM 186 N PRO A 13 15.934 10.269 15.940 1.00 0.00 N ATOM 187 CA PRO A 13 15.915 9.813 17.335 1.00 0.00 C ATOM 188 C PRO A 13 14.497 9.478 17.839 1.00 0.00 C ATOM 189 O PRO A 13 14.327 8.546 18.630 1.00 0.00 O ATOM 190 CB PRO A 13 16.551 10.952 18.137 1.00 0.00 C ATOM 191 CG PRO A 13 16.238 12.199 17.310 1.00 0.00 C ATOM 192 CD PRO A 13 16.249 11.691 15.868 1.00 0.00 C ATOM 0 HA PRO A 13 16.464 8.878 17.446 1.00 0.00 H new ATOM 0 HB2 PRO A 13 16.128 11.020 19.139 1.00 0.00 H new ATOM 0 HB3 PRO A 13 17.625 10.808 18.253 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.271 12.624 17.577 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.983 12.980 17.465 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.516 12.223 15.261 1.00 0.00 H new ATOM 0 HD3 PRO A 13 17.223 11.852 15.405 1.00 0.00 H new ATOM 200 N ARG A 14 13.479 10.220 17.378 1.00 0.00 N ATOM 201 CA ARG A 14 12.043 10.045 17.676 1.00 0.00 C ATOM 202 C ARG A 14 11.203 10.596 16.513 1.00 0.00 C ATOM 203 O ARG A 14 11.608 11.564 15.868 1.00 0.00 O ATOM 204 CB ARG A 14 11.737 10.761 19.017 1.00 0.00 C ATOM 205 CG ARG A 14 10.507 10.252 19.798 1.00 0.00 C ATOM 206 CD ARG A 14 9.150 10.876 19.434 1.00 0.00 C ATOM 207 NE ARG A 14 9.100 12.325 19.713 1.00 0.00 N ATOM 208 CZ ARG A 14 8.094 13.145 19.461 1.00 0.00 C ATOM 209 NH1 ARG A 14 6.988 12.737 18.903 1.00 0.00 N ATOM 210 NH2 ARG A 14 8.178 14.409 19.768 1.00 0.00 N ATOM 0 H ARG A 14 13.642 11.006 16.749 1.00 0.00 H new ATOM 0 HA ARG A 14 11.787 8.991 17.781 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.612 10.671 19.660 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.598 11.823 18.814 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.435 9.174 19.654 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.685 10.421 20.860 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.948 10.706 18.377 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.361 10.374 19.994 1.00 0.00 H new ATOM 0 HE ARG A 14 9.928 12.736 20.145 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.878 11.756 18.646 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.233 13.399 18.724 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.024 14.772 20.206 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.397 15.035 19.570 1.00 0.00 H new ATOM 224 N GLY A 15 10.033 10.006 16.259 1.00 0.00 N ATOM 225 CA GLY A 15 9.061 10.489 15.266 1.00 0.00 C ATOM 226 C GLY A 15 9.273 9.905 13.867 1.00 0.00 C ATOM 227 O GLY A 15 9.415 10.643 12.891 1.00 0.00 O ATOM 0 H GLY A 15 9.725 9.163 16.745 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.055 10.242 15.605 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.121 11.576 15.210 1.00 0.00 H new ATOM 231 N SER A 16 9.276 8.575 13.764 1.00 0.00 N ATOM 232 CA SER A 16 9.498 7.753 12.555 1.00 0.00 C ATOM 233 C SER A 16 8.382 7.829 11.487 1.00 0.00 C ATOM 234 O SER A 16 8.206 6.891 10.709 1.00 0.00 O ATOM 235 CB SER A 16 9.699 6.291 12.993 1.00 0.00 C ATOM 236 OG SER A 16 10.685 6.188 14.014 1.00 0.00 O ATOM 0 H SER A 16 9.111 7.991 14.584 1.00 0.00 H new ATOM 0 HA SER A 16 10.381 8.164 12.065 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.754 5.884 13.354 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.997 5.690 12.134 1.00 0.00 H new ATOM 0 HG SER A 16 10.790 5.249 14.274 1.00 0.00 H new ATOM 242 N GLN A 17 7.591 8.907 11.442 1.00 0.00 N ATOM 243 CA GLN A 17 6.379 9.039 10.618 1.00 0.00 C ATOM 244 C GLN A 17 6.635 8.876 9.103 1.00 0.00 C ATOM 245 O GLN A 17 5.813 8.293 8.397 1.00 0.00 O ATOM 246 CB GLN A 17 5.718 10.394 10.933 1.00 0.00 C ATOM 247 CG GLN A 17 4.255 10.460 10.464 1.00 0.00 C ATOM 248 CD GLN A 17 3.637 11.844 10.675 1.00 0.00 C ATOM 249 OE1 GLN A 17 3.677 12.428 11.752 1.00 0.00 O ATOM 250 NE2 GLN A 17 3.038 12.430 9.657 1.00 0.00 N ATOM 0 H GLN A 17 7.782 9.742 11.997 1.00 0.00 H new ATOM 0 HA GLN A 17 5.708 8.220 10.877 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.760 10.574 12.007 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.286 11.192 10.454 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.203 10.199 9.407 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.669 9.717 11.005 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.994 11.961 8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.619 13.352 9.774 1.00 0.00 H new ATOM 259 N GLU A 18 7.783 9.340 8.597 1.00 0.00 N ATOM 260 CA GLU A 18 8.207 9.107 7.205 1.00 0.00 C ATOM 261 C GLU A 18 8.597 7.635 6.976 1.00 0.00 C ATOM 262 O GLU A 18 8.231 7.030 5.967 1.00 0.00 O ATOM 263 CB GLU A 18 9.402 10.001 6.827 1.00 0.00 C ATOM 264 CG GLU A 18 9.118 11.514 6.851 1.00 0.00 C ATOM 265 CD GLU A 18 9.022 12.108 8.272 1.00 0.00 C ATOM 266 OE1 GLU A 18 9.903 11.825 9.119 1.00 0.00 O ATOM 267 OE2 GLU A 18 8.069 12.877 8.547 1.00 0.00 O ATOM 0 H GLU A 18 8.449 9.890 9.140 1.00 0.00 H new ATOM 0 HA GLU A 18 7.355 9.356 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.224 9.790 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.740 9.726 5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.907 12.031 6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.184 11.707 6.323 1.00 0.00 H new ATOM 274 N ILE A 19 9.334 7.050 7.925 1.00 0.00 N ATOM 275 CA ILE A 19 9.842 5.673 7.866 1.00 0.00 C ATOM 276 C ILE A 19 8.697 4.652 7.883 1.00 0.00 C ATOM 277 O ILE A 19 8.797 3.644 7.194 1.00 0.00 O ATOM 278 CB ILE A 19 10.873 5.414 8.988 1.00 0.00 C ATOM 279 CG1 ILE A 19 12.065 6.386 8.833 1.00 0.00 C ATOM 280 CG2 ILE A 19 11.374 3.954 8.976 1.00 0.00 C ATOM 281 CD1 ILE A 19 13.045 6.357 10.006 1.00 0.00 C ATOM 0 H ILE A 19 9.602 7.535 8.781 1.00 0.00 H new ATOM 0 HA ILE A 19 10.361 5.545 6.916 1.00 0.00 H new ATOM 0 HB ILE A 19 10.381 5.586 9.945 1.00 0.00 H new ATOM 0 HG12 ILE A 19 12.603 6.142 7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.682 7.400 8.718 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.097 3.811 9.779 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.531 3.279 9.122 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.848 3.740 8.018 1.00 0.00 H new ATOM 0 HD11 ILE A 19 13.853 7.065 9.823 1.00 0.00 H new ATOM 0 HD12 ILE A 19 12.523 6.631 10.923 1.00 0.00 H new ATOM 0 HD13 ILE A 19 13.459 5.354 10.110 1.00 0.00 H new ATOM 293 N GLU A 20 7.584 4.919 8.572 1.00 0.00 N ATOM 294 CA GLU A 20 6.367 4.092 8.487 1.00 0.00 C ATOM 295 C GLU A 20 5.904 3.878 7.033 1.00 0.00 C ATOM 296 O GLU A 20 5.582 2.754 6.645 1.00 0.00 O ATOM 297 CB GLU A 20 5.225 4.717 9.309 1.00 0.00 C ATOM 298 CG GLU A 20 5.378 4.541 10.828 1.00 0.00 C ATOM 299 CD GLU A 20 5.359 3.066 11.295 1.00 0.00 C ATOM 300 OE1 GLU A 20 4.764 2.193 10.617 1.00 0.00 O ATOM 301 OE2 GLU A 20 5.943 2.766 12.365 1.00 0.00 O ATOM 0 H GLU A 20 7.497 5.713 9.206 1.00 0.00 H new ATOM 0 HA GLU A 20 6.622 3.117 8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.168 5.781 9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.280 4.273 8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.315 5.000 11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.574 5.080 11.329 1.00 0.00 H new ATOM 308 N ALA A 21 5.915 4.935 6.212 1.00 0.00 N ATOM 309 CA ALA A 21 5.571 4.845 4.794 1.00 0.00 C ATOM 310 C ALA A 21 6.649 4.119 3.962 1.00 0.00 C ATOM 311 O ALA A 21 6.324 3.260 3.136 1.00 0.00 O ATOM 312 CB ALA A 21 5.282 6.250 4.252 1.00 0.00 C ATOM 0 H ALA A 21 6.163 5.876 6.516 1.00 0.00 H new ATOM 0 HA ALA A 21 4.673 4.234 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.025 6.186 3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.449 6.688 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.166 6.876 4.374 1.00 0.00 H new ATOM 318 N LYS A 22 7.934 4.428 4.192 1.00 0.00 N ATOM 319 CA LYS A 22 9.072 3.751 3.536 1.00 0.00 C ATOM 320 C LYS A 22 9.065 2.242 3.799 1.00 0.00 C ATOM 321 O LYS A 22 9.146 1.459 2.855 1.00 0.00 O ATOM 322 CB LYS A 22 10.411 4.366 3.976 1.00 0.00 C ATOM 323 CG LYS A 22 10.570 5.835 3.547 1.00 0.00 C ATOM 324 CD LYS A 22 11.885 6.445 4.055 1.00 0.00 C ATOM 325 CE LYS A 22 13.102 5.883 3.306 1.00 0.00 C ATOM 326 NZ LYS A 22 14.379 6.322 3.925 1.00 0.00 N ATOM 0 H LYS A 22 8.219 5.160 4.843 1.00 0.00 H new ATOM 0 HA LYS A 22 8.958 3.902 2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.496 4.299 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.229 3.780 3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.537 5.900 2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.730 6.416 3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.853 7.528 3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.990 6.245 5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.055 4.794 3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.071 6.208 2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.178 5.923 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.435 7.360 3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.419 5.990 4.910 1.00 0.00 H new ATOM 340 N GLU A 23 8.916 1.837 5.060 1.00 0.00 N ATOM 341 CA GLU A 23 8.760 0.444 5.498 1.00 0.00 C ATOM 342 C GLU A 23 7.576 -0.234 4.809 1.00 0.00 C ATOM 343 O GLU A 23 7.760 -1.290 4.216 1.00 0.00 O ATOM 344 CB GLU A 23 8.580 0.360 7.024 1.00 0.00 C ATOM 345 CG GLU A 23 9.890 0.523 7.803 1.00 0.00 C ATOM 346 CD GLU A 23 10.832 -0.684 7.617 1.00 0.00 C ATOM 347 OE1 GLU A 23 10.504 -1.799 8.093 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.917 -0.523 7.008 1.00 0.00 O ATOM 0 H GLU A 23 8.900 2.495 5.839 1.00 0.00 H new ATOM 0 HA GLU A 23 9.673 -0.080 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.879 1.131 7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.133 -0.601 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.396 1.431 7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.668 0.648 8.863 1.00 0.00 H new ATOM 355 N ALA A 24 6.378 0.359 4.840 1.00 0.00 N ATOM 356 CA ALA A 24 5.188 -0.198 4.192 1.00 0.00 C ATOM 357 C ALA A 24 5.400 -0.530 2.698 1.00 0.00 C ATOM 358 O ALA A 24 5.019 -1.611 2.238 1.00 0.00 O ATOM 359 CB ALA A 24 4.041 0.797 4.391 1.00 0.00 C ATOM 0 H ALA A 24 6.207 1.244 5.318 1.00 0.00 H new ATOM 0 HA ALA A 24 4.952 -1.156 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.138 0.410 3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.862 0.937 5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.306 1.753 3.939 1.00 0.00 H new ATOM 365 N CYS A 25 6.022 0.384 1.947 1.00 0.00 N ATOM 366 CA CYS A 25 6.346 0.203 0.532 1.00 0.00 C ATOM 367 C CYS A 25 7.472 -0.834 0.305 1.00 0.00 C ATOM 368 O CYS A 25 7.306 -1.782 -0.463 1.00 0.00 O ATOM 369 CB CYS A 25 6.683 1.584 -0.044 1.00 0.00 C ATOM 370 SG CYS A 25 6.646 1.505 -1.858 1.00 0.00 S ATOM 0 H CYS A 25 6.320 1.288 2.315 1.00 0.00 H new ATOM 0 HA CYS A 25 5.488 -0.215 0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.967 2.324 0.314 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.668 1.902 0.297 1.00 0.00 H new ATOM 0 HG CYS A 25 6.929 2.675 -2.349 1.00 0.00 H new ATOM 376 N ASP A 26 8.615 -0.689 0.985 1.00 0.00 N ATOM 377 CA ASP A 26 9.776 -1.588 0.873 1.00 0.00 C ATOM 378 C ASP A 26 9.464 -3.034 1.307 1.00 0.00 C ATOM 379 O ASP A 26 9.871 -3.991 0.641 1.00 0.00 O ATOM 380 CB ASP A 26 10.932 -1.013 1.702 1.00 0.00 C ATOM 381 CG ASP A 26 12.220 -1.837 1.538 1.00 0.00 C ATOM 382 OD1 ASP A 26 12.889 -1.708 0.484 1.00 0.00 O ATOM 383 OD2 ASP A 26 12.578 -2.600 2.467 1.00 0.00 O ATOM 0 H ASP A 26 8.765 0.074 1.645 1.00 0.00 H new ATOM 0 HA ASP A 26 10.054 -1.643 -0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.119 0.017 1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.648 -0.989 2.754 1.00 0.00 H new ATOM 388 N TRP A 27 8.700 -3.202 2.389 1.00 0.00 N ATOM 389 CA TRP A 27 8.238 -4.493 2.902 1.00 0.00 C ATOM 390 C TRP A 27 7.427 -5.273 1.861 1.00 0.00 C ATOM 391 O TRP A 27 7.647 -6.470 1.694 1.00 0.00 O ATOM 392 CB TRP A 27 7.414 -4.291 4.182 1.00 0.00 C ATOM 393 CG TRP A 27 6.860 -5.565 4.730 1.00 0.00 C ATOM 394 CD1 TRP A 27 7.495 -6.388 5.592 1.00 0.00 C ATOM 395 CD2 TRP A 27 5.624 -6.242 4.345 1.00 0.00 C ATOM 396 NE1 TRP A 27 6.755 -7.546 5.744 1.00 0.00 N ATOM 397 CE2 TRP A 27 5.633 -7.534 4.944 1.00 0.00 C ATOM 398 CE3 TRP A 27 4.532 -5.924 3.508 1.00 0.00 C ATOM 399 CZ2 TRP A 27 4.644 -8.484 4.673 1.00 0.00 C ATOM 400 CZ3 TRP A 27 3.521 -6.867 3.241 1.00 0.00 C ATOM 401 CH2 TRP A 27 3.584 -8.151 3.808 1.00 0.00 C ATOM 0 H TRP A 27 8.375 -2.415 2.951 1.00 0.00 H new ATOM 0 HA TRP A 27 9.122 -5.088 3.133 1.00 0.00 H new ATOM 0 HB2 TRP A 27 8.040 -3.819 4.939 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.593 -3.605 3.974 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.432 -6.175 6.085 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.007 -8.312 6.369 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.471 -4.941 3.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.692 -9.465 5.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.694 -6.602 2.598 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.821 -8.881 3.581 1.00 0.00 H new ATOM 412 N LEU A 28 6.517 -4.614 1.137 1.00 0.00 N ATOM 413 CA LEU A 28 5.681 -5.247 0.110 1.00 0.00 C ATOM 414 C LEU A 28 6.516 -5.922 -0.992 1.00 0.00 C ATOM 415 O LEU A 28 6.251 -7.065 -1.378 1.00 0.00 O ATOM 416 CB LEU A 28 4.744 -4.186 -0.492 1.00 0.00 C ATOM 417 CG LEU A 28 3.272 -4.320 -0.083 1.00 0.00 C ATOM 418 CD1 LEU A 28 2.542 -3.095 -0.637 1.00 0.00 C ATOM 419 CD2 LEU A 28 2.664 -5.605 -0.651 1.00 0.00 C ATOM 0 H LEU A 28 6.338 -3.616 1.248 1.00 0.00 H new ATOM 0 HA LEU A 28 5.098 -6.038 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.100 -3.199 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.811 -4.238 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 28 3.179 -4.373 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.487 -3.148 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.978 -2.190 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.640 -3.073 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.620 -5.678 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.725 -5.587 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.213 -6.466 -0.271 1.00 0.00 H new ATOM 431 N ARG A 29 7.557 -5.226 -1.470 1.00 0.00 N ATOM 432 CA ARG A 29 8.570 -5.772 -2.382 1.00 0.00 C ATOM 433 C ARG A 29 9.337 -6.940 -1.751 1.00 0.00 C ATOM 434 O ARG A 29 9.417 -8.005 -2.362 1.00 0.00 O ATOM 435 CB ARG A 29 9.472 -4.625 -2.878 1.00 0.00 C ATOM 436 CG ARG A 29 10.713 -5.113 -3.646 1.00 0.00 C ATOM 437 CD ARG A 29 11.317 -3.989 -4.501 1.00 0.00 C ATOM 438 NE ARG A 29 12.640 -4.364 -5.042 1.00 0.00 N ATOM 439 CZ ARG A 29 12.923 -5.205 -6.023 1.00 0.00 C ATOM 440 NH1 ARG A 29 12.001 -5.835 -6.696 1.00 0.00 N ATOM 441 NH2 ARG A 29 14.163 -5.434 -6.349 1.00 0.00 N ATOM 0 H ARG A 29 7.721 -4.249 -1.228 1.00 0.00 H new ATOM 0 HA ARG A 29 8.084 -6.207 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.890 -3.968 -3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.793 -4.030 -2.023 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.460 -5.478 -2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.441 -5.953 -4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.641 -3.754 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.413 -3.085 -3.899 1.00 0.00 H new ATOM 0 HE ARG A 29 13.442 -3.914 -4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.017 -5.688 -6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.264 -6.475 -7.445 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.917 -4.965 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.380 -6.083 -7.106 1.00 0.00 H new ATOM 455 N ALA A 30 9.854 -6.772 -0.532 1.00 0.00 N ATOM 456 CA ALA A 30 10.583 -7.816 0.200 1.00 0.00 C ATOM 457 C ALA A 30 9.751 -9.100 0.444 1.00 0.00 C ATOM 458 O ALA A 30 10.292 -10.210 0.410 1.00 0.00 O ATOM 459 CB ALA A 30 11.082 -7.220 1.524 1.00 0.00 C ATOM 0 H ALA A 30 9.778 -5.895 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 30 11.422 -8.136 -0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.627 -7.981 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.743 -6.378 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.231 -6.877 2.112 1.00 0.00 H new ATOM 465 N ALA A 31 8.440 -8.965 0.663 1.00 0.00 N ATOM 466 CA ALA A 31 7.490 -10.052 0.912 1.00 0.00 C ATOM 467 C ALA A 31 7.193 -10.934 -0.320 1.00 0.00 C ATOM 468 O ALA A 31 6.699 -12.053 -0.163 1.00 0.00 O ATOM 469 CB ALA A 31 6.194 -9.426 1.434 1.00 0.00 C ATOM 0 H ALA A 31 7.991 -8.049 0.672 1.00 0.00 H new ATOM 0 HA ALA A 31 7.943 -10.725 1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.464 -10.211 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.398 -8.882 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.796 -8.738 0.688 1.00 0.00 H new ATOM 475 N GLY A 32 7.484 -10.451 -1.535 1.00 0.00 N ATOM 476 CA GLY A 32 7.274 -11.169 -2.800 1.00 0.00 C ATOM 477 C GLY A 32 6.171 -10.603 -3.705 1.00 0.00 C ATOM 478 O GLY A 32 5.928 -11.172 -4.771 1.00 0.00 O ATOM 0 H GLY A 32 7.884 -9.522 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.211 -11.171 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.036 -12.208 -2.573 1.00 0.00 H new ATOM 482 N PHE A 33 5.524 -9.490 -3.327 1.00 0.00 N ATOM 483 CA PHE A 33 4.476 -8.823 -4.118 1.00 0.00 C ATOM 484 C PHE A 33 4.812 -7.337 -4.404 1.00 0.00 C ATOM 485 O PHE A 33 4.070 -6.437 -3.993 1.00 0.00 O ATOM 486 CB PHE A 33 3.103 -9.023 -3.443 1.00 0.00 C ATOM 487 CG PHE A 33 2.722 -10.463 -3.122 1.00 0.00 C ATOM 488 CD1 PHE A 33 2.711 -11.447 -4.132 1.00 0.00 C ATOM 489 CD2 PHE A 33 2.366 -10.820 -1.806 1.00 0.00 C ATOM 490 CE1 PHE A 33 2.373 -12.777 -3.823 1.00 0.00 C ATOM 491 CE2 PHE A 33 2.017 -12.148 -1.501 1.00 0.00 C ATOM 492 CZ PHE A 33 2.026 -13.130 -2.507 1.00 0.00 C ATOM 0 H PHE A 33 5.718 -9.018 -2.444 1.00 0.00 H new ATOM 0 HA PHE A 33 4.428 -9.291 -5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.088 -8.449 -2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.336 -8.601 -4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.963 -11.178 -5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.361 -10.071 -1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.380 -13.529 -4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.741 -12.414 -0.491 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.767 -14.151 -2.270 1.00 0.00 H new ATOM 502 N PRO A 34 5.898 -7.044 -5.155 1.00 0.00 N ATOM 503 CA PRO A 34 6.307 -5.673 -5.491 1.00 0.00 C ATOM 504 C PRO A 34 5.313 -4.937 -6.402 1.00 0.00 C ATOM 505 O PRO A 34 5.348 -3.708 -6.476 1.00 0.00 O ATOM 506 CB PRO A 34 7.670 -5.808 -6.180 1.00 0.00 C ATOM 507 CG PRO A 34 7.628 -7.205 -6.789 1.00 0.00 C ATOM 508 CD PRO A 34 6.814 -7.998 -5.770 1.00 0.00 C ATOM 0 HA PRO A 34 6.348 -5.069 -4.584 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.811 -5.042 -6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.490 -5.705 -5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.155 -7.203 -7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.628 -7.620 -6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.267 -8.808 -6.253 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.463 -8.453 -5.022 1.00 0.00 H new ATOM 516 N GLN A 35 4.403 -5.666 -7.058 1.00 0.00 N ATOM 517 CA GLN A 35 3.306 -5.115 -7.855 1.00 0.00 C ATOM 518 C GLN A 35 2.496 -4.058 -7.090 1.00 0.00 C ATOM 519 O GLN A 35 2.199 -3.004 -7.643 1.00 0.00 O ATOM 520 CB GLN A 35 2.421 -6.256 -8.395 1.00 0.00 C ATOM 521 CG GLN A 35 1.677 -7.073 -7.319 1.00 0.00 C ATOM 522 CD GLN A 35 1.026 -8.322 -7.910 1.00 0.00 C ATOM 523 OE1 GLN A 35 1.676 -9.324 -8.179 1.00 0.00 O ATOM 524 NE2 GLN A 35 -0.270 -8.318 -8.141 1.00 0.00 N ATOM 0 H GLN A 35 4.412 -6.686 -7.047 1.00 0.00 H new ATOM 0 HA GLN A 35 3.739 -4.589 -8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.686 -5.832 -9.080 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.045 -6.934 -8.977 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.376 -7.363 -6.534 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.914 -6.451 -6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.825 -7.490 -7.922 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.720 -9.143 -8.539 1.00 0.00 H new ATOM 533 N TYR A 36 2.184 -4.296 -5.810 1.00 0.00 N ATOM 534 CA TYR A 36 1.459 -3.336 -4.978 1.00 0.00 C ATOM 535 C TYR A 36 2.337 -2.133 -4.607 1.00 0.00 C ATOM 536 O TYR A 36 1.897 -0.999 -4.773 1.00 0.00 O ATOM 537 CB TYR A 36 0.887 -4.040 -3.741 1.00 0.00 C ATOM 538 CG TYR A 36 -0.019 -5.217 -4.062 1.00 0.00 C ATOM 539 CD1 TYR A 36 -1.153 -5.035 -4.880 1.00 0.00 C ATOM 540 CD2 TYR A 36 0.287 -6.502 -3.570 1.00 0.00 C ATOM 541 CE1 TYR A 36 -1.955 -6.135 -5.232 1.00 0.00 C ATOM 542 CE2 TYR A 36 -0.520 -7.605 -3.911 1.00 0.00 C ATOM 543 CZ TYR A 36 -1.638 -7.424 -4.755 1.00 0.00 C ATOM 544 OH TYR A 36 -2.404 -8.483 -5.129 1.00 0.00 O ATOM 0 H TYR A 36 2.428 -5.160 -5.325 1.00 0.00 H new ATOM 0 HA TYR A 36 0.624 -2.938 -5.554 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.712 -4.389 -3.120 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.328 -3.315 -3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.406 -4.048 -5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.144 -6.642 -2.928 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.816 -5.993 -5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.284 -8.587 -3.528 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.055 -9.301 -4.717 1.00 0.00 H new ATOM 554 N ALA A 37 3.592 -2.353 -4.190 1.00 0.00 N ATOM 555 CA ALA A 37 4.550 -1.285 -3.866 1.00 0.00 C ATOM 556 C ALA A 37 4.719 -0.277 -5.019 1.00 0.00 C ATOM 557 O ALA A 37 4.621 0.935 -4.821 1.00 0.00 O ATOM 558 CB ALA A 37 5.895 -1.915 -3.484 1.00 0.00 C ATOM 0 H ALA A 37 3.976 -3.290 -4.066 1.00 0.00 H new ATOM 0 HA ALA A 37 4.157 -0.719 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.610 -1.128 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.761 -2.562 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.272 -2.503 -4.321 1.00 0.00 H new ATOM 564 N GLN A 38 4.919 -0.779 -6.242 1.00 0.00 N ATOM 565 CA GLN A 38 5.059 0.027 -7.460 1.00 0.00 C ATOM 566 C GLN A 38 3.818 0.874 -7.810 1.00 0.00 C ATOM 567 O GLN A 38 3.945 1.859 -8.537 1.00 0.00 O ATOM 568 CB GLN A 38 5.435 -0.903 -8.628 1.00 0.00 C ATOM 569 CG GLN A 38 6.918 -1.313 -8.595 1.00 0.00 C ATOM 570 CD GLN A 38 7.839 -0.161 -9.005 1.00 0.00 C ATOM 571 OE1 GLN A 38 7.951 0.198 -10.170 1.00 0.00 O ATOM 572 NE2 GLN A 38 8.526 0.474 -8.077 1.00 0.00 N ATOM 0 H GLN A 38 4.990 -1.781 -6.417 1.00 0.00 H new ATOM 0 HA GLN A 38 5.849 0.755 -7.273 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.812 -1.797 -8.592 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.220 -0.402 -9.572 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.180 -1.647 -7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.076 -2.159 -9.264 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.447 0.191 -7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.137 1.249 -8.335 1.00 0.00 H new ATOM 581 N LEU A 39 2.634 0.553 -7.272 1.00 0.00 N ATOM 582 CA LEU A 39 1.395 1.320 -7.466 1.00 0.00 C ATOM 583 C LEU A 39 1.236 2.508 -6.490 1.00 0.00 C ATOM 584 O LEU A 39 0.258 3.250 -6.599 1.00 0.00 O ATOM 585 CB LEU A 39 0.190 0.356 -7.416 1.00 0.00 C ATOM 586 CG LEU A 39 0.134 -0.637 -8.597 1.00 0.00 C ATOM 587 CD1 LEU A 39 -0.910 -1.725 -8.331 1.00 0.00 C ATOM 588 CD2 LEU A 39 -0.206 0.023 -9.935 1.00 0.00 C ATOM 0 H LEU A 39 2.507 -0.265 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 39 1.445 1.787 -8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.225 -0.206 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.730 0.940 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 39 1.137 -1.058 -8.671 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.937 -2.417 -9.173 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.646 -2.268 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.891 -1.266 -8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.228 -0.734 -10.719 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.182 0.503 -9.866 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.550 0.771 -10.174 1.00 0.00 H new ATOM 600 N TYR A 40 2.178 2.728 -5.559 1.00 0.00 N ATOM 601 CA TYR A 40 2.159 3.867 -4.625 1.00 0.00 C ATOM 602 C TYR A 40 2.217 5.218 -5.350 1.00 0.00 C ATOM 603 O TYR A 40 1.294 6.028 -5.239 1.00 0.00 O ATOM 604 CB TYR A 40 3.307 3.749 -3.604 1.00 0.00 C ATOM 605 CG TYR A 40 3.401 4.875 -2.581 1.00 0.00 C ATOM 606 CD1 TYR A 40 2.239 5.422 -1.994 1.00 0.00 C ATOM 607 CD2 TYR A 40 4.666 5.357 -2.194 1.00 0.00 C ATOM 608 CE1 TYR A 40 2.340 6.452 -1.038 1.00 0.00 C ATOM 609 CE2 TYR A 40 4.773 6.377 -1.226 1.00 0.00 C ATOM 610 CZ TYR A 40 3.611 6.928 -0.646 1.00 0.00 C ATOM 611 OH TYR A 40 3.724 7.909 0.291 1.00 0.00 O ATOM 0 H TYR A 40 2.983 2.114 -5.432 1.00 0.00 H new ATOM 0 HA TYR A 40 1.208 3.830 -4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.197 2.806 -3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.250 3.699 -4.149 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.267 5.048 -2.280 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.558 4.944 -2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.447 6.877 -0.605 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.747 6.737 -0.928 1.00 0.00 H new ATOM 0 HH TYR A 40 4.671 8.112 0.439 1.00 0.00 H new ATOM 621 N GLU A 41 3.286 5.469 -6.114 1.00 0.00 N ATOM 622 CA GLU A 41 3.497 6.737 -6.834 1.00 0.00 C ATOM 623 C GLU A 41 2.471 6.964 -7.964 1.00 0.00 C ATOM 624 O GLU A 41 2.158 8.104 -8.306 1.00 0.00 O ATOM 625 CB GLU A 41 4.924 6.792 -7.403 1.00 0.00 C ATOM 626 CG GLU A 41 6.004 6.680 -6.317 1.00 0.00 C ATOM 627 CD GLU A 41 7.405 6.950 -6.898 1.00 0.00 C ATOM 628 OE1 GLU A 41 7.979 6.052 -7.561 1.00 0.00 O ATOM 629 OE2 GLU A 41 7.951 8.064 -6.691 1.00 0.00 O ATOM 0 H GLU A 41 4.038 4.794 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 41 3.355 7.538 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.054 5.984 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.058 7.727 -7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.795 7.391 -5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.976 5.685 -5.874 1.00 0.00 H new ATOM 636 N ASP A 42 1.901 5.884 -8.509 1.00 0.00 N ATOM 637 CA ASP A 42 0.783 5.895 -9.463 1.00 0.00 C ATOM 638 C ASP A 42 -0.586 6.209 -8.815 1.00 0.00 C ATOM 639 O ASP A 42 -1.575 6.392 -9.527 1.00 0.00 O ATOM 640 CB ASP A 42 0.737 4.545 -10.202 1.00 0.00 C ATOM 641 CG ASP A 42 1.812 4.466 -11.298 1.00 0.00 C ATOM 642 OD1 ASP A 42 2.970 4.086 -11.003 1.00 0.00 O ATOM 643 OD2 ASP A 42 1.500 4.785 -12.471 1.00 0.00 O ATOM 0 H ASP A 42 2.218 4.939 -8.290 1.00 0.00 H new ATOM 0 HA ASP A 42 0.967 6.708 -10.165 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.883 3.734 -9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.248 4.406 -10.647 1.00 0.00 H new ATOM 648 N SER A 43 -0.658 6.306 -7.480 1.00 0.00 N ATOM 649 CA SER A 43 -1.876 6.552 -6.688 1.00 0.00 C ATOM 650 C SER A 43 -2.943 5.447 -6.838 1.00 0.00 C ATOM 651 O SER A 43 -4.145 5.708 -6.922 1.00 0.00 O ATOM 652 CB SER A 43 -2.407 7.969 -6.961 1.00 0.00 C ATOM 653 OG SER A 43 -3.177 8.429 -5.862 1.00 0.00 O ATOM 0 H SER A 43 0.171 6.211 -6.893 1.00 0.00 H new ATOM 0 HA SER A 43 -1.603 6.502 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.574 8.649 -7.139 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.016 7.968 -7.865 1.00 0.00 H new ATOM 0 HG SER A 43 -3.507 9.333 -6.049 1.00 0.00 H new ATOM 659 N GLN A 44 -2.497 4.185 -6.875 1.00 0.00 N ATOM 660 CA GLN A 44 -3.330 2.982 -7.036 1.00 0.00 C ATOM 661 C GLN A 44 -3.105 1.940 -5.918 1.00 0.00 C ATOM 662 O GLN A 44 -3.334 0.749 -6.119 1.00 0.00 O ATOM 663 CB GLN A 44 -3.159 2.395 -8.453 1.00 0.00 C ATOM 664 CG GLN A 44 -3.536 3.382 -9.568 1.00 0.00 C ATOM 665 CD GLN A 44 -3.736 2.686 -10.914 1.00 0.00 C ATOM 666 OE1 GLN A 44 -2.845 2.053 -11.467 1.00 0.00 O ATOM 667 NE2 GLN A 44 -4.913 2.771 -11.499 1.00 0.00 N ATOM 0 H GLN A 44 -1.505 3.963 -6.790 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.372 3.283 -6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.123 2.084 -8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.775 1.501 -8.545 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.451 3.906 -9.293 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.754 4.135 -9.663 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.667 3.294 -11.054 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.070 2.314 -12.397 1.00 0.00 H new ATOM 676 N PHE A 45 -2.667 2.369 -4.728 1.00 0.00 N ATOM 677 CA PHE A 45 -2.655 1.554 -3.498 1.00 0.00 C ATOM 678 C PHE A 45 -4.056 1.062 -3.055 1.00 0.00 C ATOM 679 O PHE A 45 -4.209 -0.145 -2.839 1.00 0.00 O ATOM 680 CB PHE A 45 -1.933 2.306 -2.358 1.00 0.00 C ATOM 681 CG PHE A 45 -0.668 1.626 -1.874 1.00 0.00 C ATOM 682 CD1 PHE A 45 0.388 1.401 -2.773 1.00 0.00 C ATOM 683 CD2 PHE A 45 -0.526 1.238 -0.527 1.00 0.00 C ATOM 684 CE1 PHE A 45 1.584 0.816 -2.328 1.00 0.00 C ATOM 685 CE2 PHE A 45 0.671 0.641 -0.087 1.00 0.00 C ATOM 686 CZ PHE A 45 1.727 0.432 -0.986 1.00 0.00 C ATOM 0 H PHE A 45 -2.303 3.311 -4.586 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.097 0.649 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.685 3.311 -2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.619 2.415 -1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.279 1.679 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.336 1.399 0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.397 0.661 -3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.776 0.343 0.946 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.646 -0.022 -0.647 1.00 0.00 H new ATOM 696 N PRO A 46 -5.084 1.932 -2.907 1.00 0.00 N ATOM 697 CA PRO A 46 -6.429 1.513 -2.504 1.00 0.00 C ATOM 698 C PRO A 46 -7.190 0.831 -3.659 1.00 0.00 C ATOM 699 O PRO A 46 -7.972 1.459 -4.376 1.00 0.00 O ATOM 700 CB PRO A 46 -7.120 2.780 -1.989 1.00 0.00 C ATOM 701 CG PRO A 46 -6.440 3.907 -2.757 1.00 0.00 C ATOM 702 CD PRO A 46 -5.021 3.390 -2.985 1.00 0.00 C ATOM 0 HA PRO A 46 -6.399 0.752 -1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.193 2.756 -2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.991 2.896 -0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.947 4.111 -3.700 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.440 4.836 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.645 3.709 -3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.339 3.788 -2.233 1.00 0.00 H new ATOM 710 N ILE A 47 -6.960 -0.474 -3.834 1.00 0.00 N ATOM 711 CA ILE A 47 -7.634 -1.340 -4.818 1.00 0.00 C ATOM 712 C ILE A 47 -8.113 -2.650 -4.169 1.00 0.00 C ATOM 713 O ILE A 47 -7.484 -3.702 -4.293 1.00 0.00 O ATOM 714 CB ILE A 47 -6.770 -1.575 -6.083 1.00 0.00 C ATOM 715 CG1 ILE A 47 -5.335 -2.069 -5.780 1.00 0.00 C ATOM 716 CG2 ILE A 47 -6.733 -0.293 -6.937 1.00 0.00 C ATOM 717 CD1 ILE A 47 -4.688 -2.788 -6.971 1.00 0.00 C ATOM 0 H ILE A 47 -6.273 -0.980 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.524 -0.814 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.248 -2.382 -6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.716 -1.218 -5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.361 -2.744 -4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.124 -0.465 -7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.746 -0.027 -7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.302 0.521 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.683 -3.111 -6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.288 -3.657 -7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.632 -2.107 -7.820 1.00 0.00 H new ATOM 729 N ASN A 48 -9.252 -2.583 -3.471 1.00 0.00 N ATOM 730 CA ASN A 48 -9.921 -3.718 -2.819 1.00 0.00 C ATOM 731 C ASN A 48 -8.960 -4.527 -1.919 1.00 0.00 C ATOM 732 O ASN A 48 -8.693 -5.703 -2.176 1.00 0.00 O ATOM 733 CB ASN A 48 -10.624 -4.595 -3.886 1.00 0.00 C ATOM 734 CG ASN A 48 -11.610 -3.858 -4.781 1.00 0.00 C ATOM 735 OD1 ASN A 48 -11.253 -3.046 -5.625 1.00 0.00 O ATOM 736 ND2 ASN A 48 -12.890 -4.133 -4.654 1.00 0.00 N ATOM 0 H ASN A 48 -9.753 -1.705 -3.339 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.685 -3.329 -2.146 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.862 -5.056 -4.514 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.151 -5.403 -3.379 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.573 -3.672 -5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.200 -4.808 -3.955 1.00 0.00 H new ATOM 743 N ILE A 49 -8.432 -3.915 -0.849 1.00 0.00 N ATOM 744 CA ILE A 49 -7.429 -4.555 0.032 1.00 0.00 C ATOM 745 C ILE A 49 -7.961 -5.862 0.656 1.00 0.00 C ATOM 746 O ILE A 49 -7.181 -6.776 0.900 1.00 0.00 O ATOM 747 CB ILE A 49 -6.886 -3.578 1.108 1.00 0.00 C ATOM 748 CG1 ILE A 49 -6.214 -2.351 0.447 1.00 0.00 C ATOM 749 CG2 ILE A 49 -5.846 -4.264 2.021 1.00 0.00 C ATOM 750 CD1 ILE A 49 -6.015 -1.176 1.411 1.00 0.00 C ATOM 0 H ILE A 49 -8.683 -2.968 -0.566 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.583 -4.825 -0.600 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.741 -3.261 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.246 -2.649 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.823 -2.022 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.487 -3.551 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.309 -5.112 2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.008 -4.614 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.539 -0.349 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.982 -0.853 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.381 -1.489 2.241 1.00 0.00 H new ATOM 762 N VAL A 50 -9.276 -6.015 0.854 1.00 0.00 N ATOM 763 CA VAL A 50 -9.885 -7.285 1.308 1.00 0.00 C ATOM 764 C VAL A 50 -9.776 -8.400 0.251 1.00 0.00 C ATOM 765 O VAL A 50 -9.552 -9.560 0.602 1.00 0.00 O ATOM 766 CB VAL A 50 -11.353 -7.079 1.745 1.00 0.00 C ATOM 767 CG1 VAL A 50 -11.970 -8.362 2.319 1.00 0.00 C ATOM 768 CG2 VAL A 50 -11.439 -5.989 2.825 1.00 0.00 C ATOM 0 H VAL A 50 -9.953 -5.266 0.706 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.313 -7.612 2.176 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.906 -6.787 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.002 -8.170 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.948 -9.146 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.399 -8.682 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.479 -5.854 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.848 -6.288 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.051 -5.051 2.427 1.00 0.00 H new ATOM 778 N ALA A 51 -9.892 -8.070 -1.040 1.00 0.00 N ATOM 779 CA ALA A 51 -9.787 -9.030 -2.142 1.00 0.00 C ATOM 780 C ALA A 51 -8.365 -9.599 -2.288 1.00 0.00 C ATOM 781 O ALA A 51 -8.208 -10.816 -2.411 1.00 0.00 O ATOM 782 CB ALA A 51 -10.267 -8.374 -3.445 1.00 0.00 C ATOM 0 H ALA A 51 -10.064 -7.114 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 51 -10.431 -9.879 -1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.188 -9.090 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.306 -8.062 -3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.648 -7.504 -3.663 1.00 0.00 H new ATOM 788 N VAL A 52 -7.323 -8.752 -2.237 1.00 0.00 N ATOM 789 CA VAL A 52 -5.920 -9.184 -2.453 1.00 0.00 C ATOM 790 C VAL A 52 -5.430 -10.219 -1.428 1.00 0.00 C ATOM 791 O VAL A 52 -4.513 -10.987 -1.721 1.00 0.00 O ATOM 792 CB VAL A 52 -4.918 -8.008 -2.557 1.00 0.00 C ATOM 793 CG1 VAL A 52 -5.372 -6.961 -3.584 1.00 0.00 C ATOM 794 CG2 VAL A 52 -4.630 -7.292 -1.235 1.00 0.00 C ATOM 0 H VAL A 52 -7.422 -7.755 -2.047 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.947 -9.676 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.993 -8.486 -2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.642 -6.153 -3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.455 -7.427 -4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.341 -6.559 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.918 -6.484 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.557 -6.881 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.210 -8.001 -0.521 1.00 0.00 H new ATOM 804 N LYS A 53 -6.064 -10.303 -0.247 1.00 0.00 N ATOM 805 CA LYS A 53 -5.776 -11.304 0.804 1.00 0.00 C ATOM 806 C LYS A 53 -6.127 -12.741 0.390 1.00 0.00 C ATOM 807 O LYS A 53 -5.547 -13.691 0.917 1.00 0.00 O ATOM 808 CB LYS A 53 -6.522 -10.959 2.110 1.00 0.00 C ATOM 809 CG LYS A 53 -6.397 -9.475 2.485 1.00 0.00 C ATOM 810 CD LYS A 53 -6.760 -9.063 3.920 1.00 0.00 C ATOM 811 CE LYS A 53 -8.163 -9.475 4.389 1.00 0.00 C ATOM 812 NZ LYS A 53 -8.184 -10.814 5.039 1.00 0.00 N ATOM 0 H LYS A 53 -6.812 -9.661 0.014 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.698 -11.262 0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.576 -11.215 2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.128 -11.570 2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.367 -9.169 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.027 -8.904 1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.026 -9.495 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.672 -7.980 4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.540 -8.730 5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.840 -9.480 3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.126 -11.241 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.470 -11.426 4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.971 -10.712 6.052 1.00 0.00 H new ATOM 826 N ASN A 54 -7.063 -12.900 -0.550 1.00 0.00 N ATOM 827 CA ASN A 54 -7.549 -14.184 -1.070 1.00 0.00 C ATOM 828 C ASN A 54 -6.839 -14.637 -2.367 1.00 0.00 C ATOM 829 O ASN A 54 -7.216 -15.659 -2.946 1.00 0.00 O ATOM 830 CB ASN A 54 -9.081 -14.097 -1.239 1.00 0.00 C ATOM 831 CG ASN A 54 -9.811 -14.070 0.095 1.00 0.00 C ATOM 832 OD1 ASN A 54 -9.698 -14.974 0.913 1.00 0.00 O ATOM 833 ND2 ASN A 54 -10.592 -13.049 0.365 1.00 0.00 N ATOM 0 H ASN A 54 -7.524 -12.103 -0.989 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.303 -14.961 -0.347 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -9.331 -13.200 -1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -9.428 -14.949 -1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -11.098 -13.014 1.250 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.692 -12.291 -0.310 1.00 0.00 H new ATOM 840 N ASP A 55 -5.813 -13.914 -2.835 1.00 0.00 N ATOM 841 CA ASP A 55 -4.983 -14.293 -3.992 1.00 0.00 C ATOM 842 C ASP A 55 -4.044 -15.472 -3.642 1.00 0.00 C ATOM 843 O ASP A 55 -2.856 -15.281 -3.370 1.00 0.00 O ATOM 844 CB ASP A 55 -4.190 -13.078 -4.515 1.00 0.00 C ATOM 845 CG ASP A 55 -5.021 -12.048 -5.306 1.00 0.00 C ATOM 846 OD1 ASP A 55 -6.274 -12.106 -5.319 1.00 0.00 O ATOM 847 OD2 ASP A 55 -4.403 -11.178 -5.963 1.00 0.00 O ATOM 0 H ASP A 55 -5.529 -13.030 -2.413 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.645 -14.629 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.726 -12.574 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.383 -13.438 -5.153 1.00 0.00 H new ATOM 852 N HIS A 56 -4.602 -16.690 -3.641 1.00 0.00 N ATOM 853 CA HIS A 56 -3.979 -17.991 -3.349 1.00 0.00 C ATOM 854 C HIS A 56 -2.872 -17.939 -2.274 1.00 0.00 C ATOM 855 O HIS A 56 -1.681 -17.934 -2.583 1.00 0.00 O ATOM 856 CB HIS A 56 -3.491 -18.638 -4.659 1.00 0.00 C ATOM 857 CG HIS A 56 -4.587 -18.938 -5.653 1.00 0.00 C ATOM 858 ND1 HIS A 56 -4.698 -18.412 -6.922 1.00 0.00 N ATOM 859 CD2 HIS A 56 -5.620 -19.822 -5.480 1.00 0.00 C ATOM 860 CE1 HIS A 56 -5.775 -18.962 -7.508 1.00 0.00 C ATOM 861 NE2 HIS A 56 -6.371 -19.827 -6.664 1.00 0.00 N ATOM 0 H HIS A 56 -5.591 -16.801 -3.865 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.750 -18.620 -2.904 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -2.763 -17.976 -5.128 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.970 -19.565 -4.420 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.819 -20.407 -4.594 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.114 -18.743 -8.510 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.208 -20.379 -6.851 1.00 0.00 H new ATOM 869 N ASP A 57 -3.258 -17.901 -0.996 1.00 0.00 N ATOM 870 CA ASP A 57 -2.360 -17.846 0.168 1.00 0.00 C ATOM 871 C ASP A 57 -1.511 -19.129 0.352 1.00 0.00 C ATOM 872 O ASP A 57 -1.856 -20.036 1.111 1.00 0.00 O ATOM 873 CB ASP A 57 -3.157 -17.452 1.429 1.00 0.00 C ATOM 874 CG ASP A 57 -4.331 -18.389 1.786 1.00 0.00 C ATOM 875 OD1 ASP A 57 -5.262 -18.546 0.957 1.00 0.00 O ATOM 876 OD2 ASP A 57 -4.368 -18.918 2.923 1.00 0.00 O ATOM 0 H ASP A 57 -4.243 -17.908 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.621 -17.067 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.472 -17.416 2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.547 -16.443 1.292 1.00 0.00 H new ATOM 881 N PHE A 58 -0.376 -19.202 -0.355 1.00 0.00 N ATOM 882 CA PHE A 58 0.601 -20.305 -0.323 1.00 0.00 C ATOM 883 C PHE A 58 1.610 -20.236 0.850 1.00 0.00 C ATOM 884 O PHE A 58 2.464 -21.116 0.987 1.00 0.00 O ATOM 885 CB PHE A 58 1.308 -20.390 -1.691 1.00 0.00 C ATOM 886 CG PHE A 58 2.141 -19.180 -2.089 1.00 0.00 C ATOM 887 CD1 PHE A 58 3.470 -19.050 -1.645 1.00 0.00 C ATOM 888 CD2 PHE A 58 1.601 -18.193 -2.936 1.00 0.00 C ATOM 889 CE1 PHE A 58 4.236 -17.927 -2.010 1.00 0.00 C ATOM 890 CE2 PHE A 58 2.358 -17.062 -3.291 1.00 0.00 C ATOM 891 CZ PHE A 58 3.676 -16.926 -2.823 1.00 0.00 C ATOM 0 H PHE A 58 -0.098 -18.459 -0.997 1.00 0.00 H new ATOM 0 HA PHE A 58 0.045 -21.223 -0.135 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.955 -21.267 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.552 -20.554 -2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.905 -19.816 -1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.597 -18.306 -3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.255 -17.834 -1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.927 -16.299 -3.922 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.257 -16.055 -3.087 1.00 0.00 H new ATOM 901 N LEU A 59 1.514 -19.208 1.702 1.00 0.00 N ATOM 902 CA LEU A 59 2.356 -18.946 2.882 1.00 0.00 C ATOM 903 C LEU A 59 1.514 -18.906 4.177 1.00 0.00 C ATOM 904 O LEU A 59 0.289 -19.049 4.150 1.00 0.00 O ATOM 905 CB LEU A 59 3.133 -17.624 2.651 1.00 0.00 C ATOM 906 CG LEU A 59 4.673 -17.688 2.694 1.00 0.00 C ATOM 907 CD1 LEU A 59 5.216 -18.032 4.082 1.00 0.00 C ATOM 908 CD2 LEU A 59 5.252 -18.676 1.679 1.00 0.00 C ATOM 0 H LEU A 59 0.801 -18.489 1.580 1.00 0.00 H new ATOM 0 HA LEU A 59 3.070 -19.759 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.840 -17.227 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.805 -16.905 3.402 1.00 0.00 H new ATOM 0 HG LEU A 59 4.996 -16.681 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.305 -18.063 4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.895 -17.274 4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.835 -19.005 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.339 -18.679 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.871 -19.676 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.959 -18.377 0.673 1.00 0.00 H new ATOM 920 N GLU A 60 2.166 -18.698 5.325 1.00 0.00 N ATOM 921 CA GLU A 60 1.513 -18.524 6.632 1.00 0.00 C ATOM 922 C GLU A 60 0.526 -17.341 6.636 1.00 0.00 C ATOM 923 O GLU A 60 0.805 -16.283 6.066 1.00 0.00 O ATOM 924 CB GLU A 60 2.578 -18.283 7.721 1.00 0.00 C ATOM 925 CG GLU A 60 3.514 -19.473 7.970 1.00 0.00 C ATOM 926 CD GLU A 60 2.759 -20.690 8.542 1.00 0.00 C ATOM 927 OE1 GLU A 60 2.443 -20.697 9.756 1.00 0.00 O ATOM 928 OE2 GLU A 60 2.474 -21.646 7.781 1.00 0.00 O ATOM 0 H GLU A 60 3.183 -18.644 5.376 1.00 0.00 H new ATOM 0 HA GLU A 60 0.954 -19.437 6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.178 -17.418 7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.074 -18.031 8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.000 -19.754 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.302 -19.176 8.663 1.00 0.00 H new ATOM 935 N LYS A 61 -0.601 -17.477 7.352 1.00 0.00 N ATOM 936 CA LYS A 61 -1.609 -16.407 7.513 1.00 0.00 C ATOM 937 C LYS A 61 -1.060 -15.145 8.193 1.00 0.00 C ATOM 938 O LYS A 61 -1.601 -14.059 8.001 1.00 0.00 O ATOM 939 CB LYS A 61 -2.829 -16.931 8.288 1.00 0.00 C ATOM 940 CG LYS A 61 -3.577 -18.052 7.543 1.00 0.00 C ATOM 941 CD LYS A 61 -4.877 -18.451 8.258 1.00 0.00 C ATOM 942 CE LYS A 61 -4.609 -19.109 9.620 1.00 0.00 C ATOM 943 NZ LYS A 61 -5.868 -19.326 10.380 1.00 0.00 N ATOM 0 H LYS A 61 -0.844 -18.338 7.841 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.904 -16.116 6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.504 -17.302 9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.516 -16.106 8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.807 -17.723 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.929 -18.924 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.499 -17.567 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.440 -19.139 7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.104 -20.064 9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.936 -18.480 10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.649 -19.772 11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.337 -18.412 10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.500 -19.946 9.835 1.00 0.00 H new ATOM 957 N ASP A 62 0.047 -15.255 8.928 1.00 0.00 N ATOM 958 CA ASP A 62 0.786 -14.123 9.502 1.00 0.00 C ATOM 959 C ASP A 62 1.333 -13.138 8.444 1.00 0.00 C ATOM 960 O ASP A 62 1.571 -11.975 8.764 1.00 0.00 O ATOM 961 CB ASP A 62 1.911 -14.680 10.385 1.00 0.00 C ATOM 962 CG ASP A 62 2.620 -13.584 11.202 1.00 0.00 C ATOM 963 OD1 ASP A 62 1.981 -12.995 12.108 1.00 0.00 O ATOM 964 OD2 ASP A 62 3.831 -13.343 10.973 1.00 0.00 O ATOM 0 H ASP A 62 0.468 -16.157 9.148 1.00 0.00 H new ATOM 0 HA ASP A 62 0.091 -13.532 10.098 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.499 -15.426 11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.642 -15.190 9.757 1.00 0.00 H new ATOM 969 N LEU A 63 1.474 -13.555 7.176 1.00 0.00 N ATOM 970 CA LEU A 63 1.779 -12.672 6.040 1.00 0.00 C ATOM 971 C LEU A 63 0.594 -11.759 5.653 1.00 0.00 C ATOM 972 O LEU A 63 0.791 -10.665 5.121 1.00 0.00 O ATOM 973 CB LEU A 63 2.223 -13.555 4.850 1.00 0.00 C ATOM 974 CG LEU A 63 2.608 -12.804 3.558 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.716 -11.785 3.803 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.076 -13.766 2.460 1.00 0.00 C ATOM 0 H LEU A 63 1.377 -14.534 6.907 1.00 0.00 H new ATOM 0 HA LEU A 63 2.582 -11.994 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.077 -14.154 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.415 -14.249 4.617 1.00 0.00 H new ATOM 0 HG LEU A 63 1.704 -12.289 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.957 -11.278 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.381 -11.052 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.603 -12.295 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.338 -13.199 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.949 -14.318 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.274 -14.466 2.223 1.00 0.00 H new ATOM 988 N VAL A 64 -0.644 -12.183 5.928 1.00 0.00 N ATOM 989 CA VAL A 64 -1.869 -11.455 5.556 1.00 0.00 C ATOM 990 C VAL A 64 -2.109 -10.224 6.445 1.00 0.00 C ATOM 991 O VAL A 64 -2.652 -9.225 5.975 1.00 0.00 O ATOM 992 CB VAL A 64 -3.089 -12.399 5.546 1.00 0.00 C ATOM 993 CG1 VAL A 64 -4.359 -11.680 5.090 1.00 0.00 C ATOM 994 CG2 VAL A 64 -2.865 -13.575 4.584 1.00 0.00 C ATOM 0 H VAL A 64 -0.830 -13.055 6.423 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.727 -11.079 4.543 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.207 -12.752 6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.195 -12.379 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.572 -10.853 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.216 -11.295 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.739 -14.226 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.709 -13.195 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.988 -14.140 4.899 1.00 0.00 H new ATOM 1004 N GLU A 65 -1.650 -10.249 7.701 1.00 0.00 N ATOM 1005 CA GLU A 65 -1.666 -9.096 8.617 1.00 0.00 C ATOM 1006 C GLU A 65 -1.003 -7.843 8.002 1.00 0.00 C ATOM 1007 O GLU A 65 -1.718 -6.870 7.751 1.00 0.00 O ATOM 1008 CB GLU A 65 -1.059 -9.471 9.988 1.00 0.00 C ATOM 1009 CG GLU A 65 -2.114 -9.687 11.083 1.00 0.00 C ATOM 1010 CD GLU A 65 -2.819 -8.373 11.481 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -2.138 -7.424 11.941 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -4.064 -8.286 11.346 1.00 0.00 O ATOM 0 H GLU A 65 -1.248 -11.087 8.121 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.709 -8.827 8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.468 -10.380 9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.376 -8.682 10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.857 -10.404 10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.639 -10.123 11.962 1.00 0.00 H new ATOM 1019 N PRO A 66 0.312 -7.829 7.691 1.00 0.00 N ATOM 1020 CA PRO A 66 0.963 -6.683 7.055 1.00 0.00 C ATOM 1021 C PRO A 66 0.456 -6.402 5.630 1.00 0.00 C ATOM 1022 O PRO A 66 0.375 -5.233 5.251 1.00 0.00 O ATOM 1023 CB PRO A 66 2.466 -6.975 7.102 1.00 0.00 C ATOM 1024 CG PRO A 66 2.534 -8.499 7.174 1.00 0.00 C ATOM 1025 CD PRO A 66 1.290 -8.869 7.969 1.00 0.00 C ATOM 0 HA PRO A 66 0.723 -5.764 7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.977 -6.592 6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.938 -6.511 7.968 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.525 -8.949 6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.444 -8.838 7.670 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.914 -9.848 7.672 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.510 -8.923 9.035 1.00 0.00 H new ATOM 1033 N LEU A 67 0.033 -7.419 4.863 1.00 0.00 N ATOM 1034 CA LEU A 67 -0.620 -7.238 3.553 1.00 0.00 C ATOM 1035 C LEU A 67 -1.944 -6.447 3.635 1.00 0.00 C ATOM 1036 O LEU A 67 -2.336 -5.802 2.665 1.00 0.00 O ATOM 1037 CB LEU A 67 -0.821 -8.620 2.904 1.00 0.00 C ATOM 1038 CG LEU A 67 -1.504 -8.631 1.519 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -0.722 -7.851 0.458 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -1.648 -10.075 1.040 1.00 0.00 C ATOM 0 H LEU A 67 0.134 -8.397 5.134 1.00 0.00 H new ATOM 0 HA LEU A 67 0.034 -6.629 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.154 -9.099 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.413 -9.234 3.583 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.473 -8.147 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.254 -7.897 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.624 -6.811 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.269 -8.290 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.130 -10.088 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.662 -10.533 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.255 -10.635 1.751 1.00 0.00 H new ATOM 1052 N CYS A 68 -2.624 -6.443 4.784 1.00 0.00 N ATOM 1053 CA CYS A 68 -3.722 -5.518 5.069 1.00 0.00 C ATOM 1054 C CYS A 68 -3.203 -4.195 5.669 1.00 0.00 C ATOM 1055 O CYS A 68 -3.491 -3.109 5.159 1.00 0.00 O ATOM 1056 CB CYS A 68 -4.725 -6.228 5.985 1.00 0.00 C ATOM 1057 SG CYS A 68 -6.264 -5.264 6.049 1.00 0.00 S ATOM 0 H CYS A 68 -2.426 -7.088 5.549 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.227 -5.240 4.144 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.927 -7.233 5.614 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.308 -6.336 6.986 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.119 -5.863 6.823 1.00 0.00 H new ATOM 1063 N ARG A 69 -2.415 -4.284 6.750 1.00 0.00 N ATOM 1064 CA ARG A 69 -1.958 -3.165 7.589 1.00 0.00 C ATOM 1065 C ARG A 69 -1.142 -2.123 6.817 1.00 0.00 C ATOM 1066 O ARG A 69 -1.538 -0.963 6.783 1.00 0.00 O ATOM 1067 CB ARG A 69 -1.203 -3.729 8.809 1.00 0.00 C ATOM 1068 CG ARG A 69 -1.237 -2.792 10.025 1.00 0.00 C ATOM 1069 CD ARG A 69 -0.543 -3.474 11.214 1.00 0.00 C ATOM 1070 NE ARG A 69 -0.890 -2.830 12.496 1.00 0.00 N ATOM 1071 CZ ARG A 69 -0.712 -3.338 13.705 1.00 0.00 C ATOM 1072 NH1 ARG A 69 -0.118 -4.482 13.896 1.00 0.00 N ATOM 1073 NH2 ARG A 69 -1.137 -2.701 14.759 1.00 0.00 N ATOM 0 H ARG A 69 -2.061 -5.182 7.080 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.833 -2.616 7.937 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.638 -4.689 9.086 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.166 -3.917 8.532 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.738 -1.853 9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.268 -2.549 10.282 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.828 -4.525 11.247 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.537 -3.441 11.072 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.309 -1.901 12.445 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.227 -5.017 13.099 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.002 -4.843 14.843 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.611 -1.804 14.656 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.996 -3.100 15.687 1.00 0.00 H new ATOM 1087 N ARG A 70 -0.040 -2.525 6.168 1.00 0.00 N ATOM 1088 CA ARG A 70 0.877 -1.639 5.415 1.00 0.00 C ATOM 1089 C ARG A 70 0.193 -0.926 4.246 1.00 0.00 C ATOM 1090 O ARG A 70 0.458 0.249 3.991 1.00 0.00 O ATOM 1091 CB ARG A 70 2.095 -2.441 4.909 1.00 0.00 C ATOM 1092 CG ARG A 70 3.007 -3.035 6.000 1.00 0.00 C ATOM 1093 CD ARG A 70 3.427 -1.996 7.048 1.00 0.00 C ATOM 1094 NE ARG A 70 4.627 -2.409 7.802 1.00 0.00 N ATOM 1095 CZ ARG A 70 5.296 -1.668 8.672 1.00 0.00 C ATOM 1096 NH1 ARG A 70 4.916 -0.460 8.977 1.00 0.00 N ATOM 1097 NH2 ARG A 70 6.365 -2.130 9.252 1.00 0.00 N ATOM 0 H ARG A 70 0.252 -3.502 6.148 1.00 0.00 H new ATOM 0 HA ARG A 70 1.206 -0.864 6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.734 -3.255 4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.696 -1.790 4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.488 -3.856 6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.898 -3.456 5.534 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.622 -1.044 6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.603 -1.832 7.743 1.00 0.00 H new ATOM 0 HE ARG A 70 4.973 -3.354 7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.084 -0.062 8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.451 0.088 9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.695 -3.071 9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.873 -1.551 9.921 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.721 -1.619 3.568 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.575 -1.072 2.510 1.00 0.00 C ATOM 1113 C LEU A 71 -2.465 0.048 3.077 1.00 0.00 C ATOM 1114 O LEU A 71 -2.468 1.168 2.566 1.00 0.00 O ATOM 1115 CB LEU A 71 -2.403 -2.206 1.870 1.00 0.00 C ATOM 1116 CG LEU A 71 -1.679 -3.137 0.874 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -1.439 -2.455 -0.472 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -0.342 -3.684 1.386 1.00 0.00 C ATOM 0 H LEU A 71 -0.894 -2.609 3.744 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.958 -0.631 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.809 -2.822 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.251 -1.755 1.355 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.361 -3.979 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.927 -3.145 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.395 -2.166 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.823 -1.567 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.102 -4.329 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.333 -2.855 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.509 -4.258 2.297 1.00 0.00 H new ATOM 1130 N ASN A 72 -3.170 -0.229 4.178 1.00 0.00 N ATOM 1131 CA ASN A 72 -4.002 0.752 4.878 1.00 0.00 C ATOM 1132 C ASN A 72 -3.204 1.932 5.494 1.00 0.00 C ATOM 1133 O ASN A 72 -3.735 3.041 5.583 1.00 0.00 O ATOM 1134 CB ASN A 72 -4.849 0.008 5.922 1.00 0.00 C ATOM 1135 CG ASN A 72 -5.988 0.867 6.453 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -6.755 1.456 5.703 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -6.146 0.962 7.753 1.00 0.00 N ATOM 0 H ASN A 72 -3.179 -1.152 4.613 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.651 1.233 4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.257 -0.900 5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.212 -0.302 6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.906 1.525 8.135 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.509 0.473 8.381 1.00 0.00 H new ATOM 1144 N THR A 73 -1.928 1.745 5.864 1.00 0.00 N ATOM 1145 CA THR A 73 -1.016 2.833 6.278 1.00 0.00 C ATOM 1146 C THR A 73 -0.858 3.878 5.167 1.00 0.00 C ATOM 1147 O THR A 73 -1.115 5.063 5.389 1.00 0.00 O ATOM 1148 CB THR A 73 0.377 2.310 6.694 1.00 0.00 C ATOM 1149 OG1 THR A 73 0.281 1.288 7.662 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.270 3.399 7.294 1.00 0.00 C ATOM 0 H THR A 73 -1.491 0.824 5.886 1.00 0.00 H new ATOM 0 HA THR A 73 -1.476 3.299 7.150 1.00 0.00 H new ATOM 0 HB THR A 73 0.819 1.938 5.770 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.184 0.516 7.277 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.234 2.970 7.566 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.420 4.192 6.561 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.793 3.812 8.183 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.460 3.456 3.962 1.00 0.00 N ATOM 1159 CA LEU A 74 -0.259 4.352 2.812 1.00 0.00 C ATOM 1160 C LEU A 74 -1.559 4.963 2.276 1.00 0.00 C ATOM 1161 O LEU A 74 -1.531 6.105 1.818 1.00 0.00 O ATOM 1162 CB LEU A 74 0.522 3.619 1.706 1.00 0.00 C ATOM 1163 CG LEU A 74 2.004 4.025 1.644 1.00 0.00 C ATOM 1164 CD1 LEU A 74 2.702 3.837 2.985 1.00 0.00 C ATOM 1165 CD2 LEU A 74 2.771 3.188 0.621 1.00 0.00 C ATOM 0 H LEU A 74 -0.266 2.477 3.753 1.00 0.00 H new ATOM 0 HA LEU A 74 0.330 5.199 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.453 2.544 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.055 3.824 0.743 1.00 0.00 H new ATOM 0 HG LEU A 74 2.008 5.078 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.747 4.136 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.212 4.452 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.648 2.789 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.815 3.502 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.713 2.135 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.333 3.330 -0.367 1.00 0.00 H new ATOM 1177 N ASN A 75 -2.703 4.277 2.393 1.00 0.00 N ATOM 1178 CA ASN A 75 -4.018 4.829 2.029 1.00 0.00 C ATOM 1179 C ASN A 75 -4.314 6.183 2.702 1.00 0.00 C ATOM 1180 O ASN A 75 -4.897 7.069 2.072 1.00 0.00 O ATOM 1181 CB ASN A 75 -5.134 3.833 2.386 1.00 0.00 C ATOM 1182 CG ASN A 75 -5.328 2.704 1.395 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -4.563 2.477 0.470 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -6.413 1.984 1.543 1.00 0.00 N ATOM 0 H ASN A 75 -2.745 3.320 2.744 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.989 4.998 0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.918 3.404 3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.072 4.380 2.478 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.620 1.232 0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.050 2.175 2.316 1.00 0.00 H new ATOM 1191 N LYS A 76 -3.883 6.358 3.960 1.00 0.00 N ATOM 1192 CA LYS A 76 -4.054 7.591 4.748 1.00 0.00 C ATOM 1193 C LYS A 76 -3.442 8.818 4.051 1.00 0.00 C ATOM 1194 O LYS A 76 -4.054 9.886 4.025 1.00 0.00 O ATOM 1195 CB LYS A 76 -3.440 7.371 6.146 1.00 0.00 C ATOM 1196 CG LYS A 76 -4.025 8.282 7.236 1.00 0.00 C ATOM 1197 CD LYS A 76 -5.405 7.800 7.713 1.00 0.00 C ATOM 1198 CE LYS A 76 -5.892 8.654 8.890 1.00 0.00 C ATOM 1199 NZ LYS A 76 -7.136 8.104 9.490 1.00 0.00 N ATOM 0 H LYS A 76 -3.392 5.626 4.473 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.119 7.803 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.589 6.331 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.364 7.535 6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.341 8.318 8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.109 9.298 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.121 7.858 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.348 6.754 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.113 8.704 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.072 9.674 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.435 8.707 10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.887 8.079 8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.957 7.140 9.837 1.00 0.00 H new ATOM 1213 N CYS A 77 -2.259 8.650 3.453 1.00 0.00 N ATOM 1214 CA CYS A 77 -1.534 9.681 2.698 1.00 0.00 C ATOM 1215 C CYS A 77 -1.884 9.707 1.193 1.00 0.00 C ATOM 1216 O CYS A 77 -1.734 10.748 0.553 1.00 0.00 O ATOM 1217 CB CYS A 77 -0.027 9.461 2.897 1.00 0.00 C ATOM 1218 SG CYS A 77 0.419 9.683 4.646 1.00 0.00 S ATOM 0 H CYS A 77 -1.760 7.761 3.481 1.00 0.00 H new ATOM 0 HA CYS A 77 -1.840 10.653 3.086 1.00 0.00 H new ATOM 0 HB2 CYS A 77 0.247 8.458 2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.534 10.163 2.280 1.00 0.00 H new ATOM 0 HG CYS A 77 1.696 9.491 4.796 1.00 0.00 H new ATOM 1224 N ALA A 78 -2.371 8.597 0.626 1.00 0.00 N ATOM 1225 CA ALA A 78 -2.802 8.492 -0.774 1.00 0.00 C ATOM 1226 C ALA A 78 -4.060 9.327 -1.106 1.00 0.00 C ATOM 1227 O ALA A 78 -4.311 9.603 -2.280 1.00 0.00 O ATOM 1228 CB ALA A 78 -3.044 7.012 -1.106 1.00 0.00 C ATOM 0 H ALA A 78 -2.479 7.724 1.141 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.004 8.907 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.365 6.920 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.121 6.451 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.818 6.614 -0.450 1.00 0.00 H new ATOM 1234 N SER A 79 -4.840 9.720 -0.086 1.00 0.00 N ATOM 1235 CA SER A 79 -6.070 10.536 -0.160 1.00 0.00 C ATOM 1236 C SER A 79 -7.060 10.123 -1.268 1.00 0.00 C ATOM 1237 O SER A 79 -7.646 10.965 -1.955 1.00 0.00 O ATOM 1238 CB SER A 79 -5.735 12.041 -0.151 1.00 0.00 C ATOM 1239 OG SER A 79 -4.998 12.463 -1.289 1.00 0.00 O ATOM 0 H SER A 79 -4.617 9.461 0.875 1.00 0.00 H new ATOM 0 HA SER A 79 -6.630 10.321 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.662 12.611 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.164 12.273 0.748 1.00 0.00 H new ATOM 0 HG SER A 79 -4.819 13.424 -1.225 1.00 0.00 H new ATOM 1245 N MET A 80 -7.255 8.810 -1.437 1.00 0.00 N ATOM 1246 CA MET A 80 -8.134 8.171 -2.430 1.00 0.00 C ATOM 1247 C MET A 80 -9.158 7.231 -1.768 1.00 0.00 C ATOM 1248 O MET A 80 -8.954 6.755 -0.645 1.00 0.00 O ATOM 1249 CB MET A 80 -7.271 7.415 -3.456 1.00 0.00 C ATOM 1250 CG MET A 80 -6.653 8.302 -4.541 1.00 0.00 C ATOM 1251 SD MET A 80 -7.793 8.886 -5.833 1.00 0.00 S ATOM 1252 CE MET A 80 -8.140 10.573 -5.262 1.00 0.00 C ATOM 0 H MET A 80 -6.778 8.124 -0.852 1.00 0.00 H new ATOM 0 HA MET A 80 -8.706 8.947 -2.939 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.470 6.897 -2.928 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.883 6.651 -3.934 1.00 0.00 H new ATOM 0 HG2 MET A 80 -6.203 9.171 -4.060 1.00 0.00 H new ATOM 0 HG3 MET A 80 -5.845 7.748 -5.019 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.432 11.192 -6.111 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.950 10.551 -4.533 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.246 10.991 -4.799 1.00 0.00 H new ATOM 1262 N LYS A 81 -10.269 6.975 -2.473 1.00 0.00 N ATOM 1263 CA LYS A 81 -11.420 6.167 -2.027 1.00 0.00 C ATOM 1264 C LYS A 81 -11.062 4.688 -1.800 1.00 0.00 C ATOM 1265 O LYS A 81 -10.537 4.046 -2.737 1.00 0.00 O ATOM 1266 CB LYS A 81 -12.565 6.329 -3.048 1.00 0.00 C ATOM 1267 CG LYS A 81 -13.881 5.644 -2.638 1.00 0.00 C ATOM 1268 CD LYS A 81 -14.564 6.327 -1.440 1.00 0.00 C ATOM 1269 CE LYS A 81 -15.851 5.605 -1.018 1.00 0.00 C ATOM 1270 NZ LYS A 81 -15.572 4.315 -0.331 1.00 0.00 N ATOM 1271 OXT LYS A 81 -11.347 4.174 -0.693 1.00 0.00 O ATOM 0 H LYS A 81 -10.399 7.342 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.743 6.535 -1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.754 7.392 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.241 5.924 -4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.564 5.643 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.680 4.602 -2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.873 6.356 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.797 7.360 -1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.427 6.251 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.467 5.420 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.470 3.863 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.045 3.688 -0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.006 4.492 0.523 1.00 0.00 H new TER 1285 LYS A 81