USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 743 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 GLY N :NH3+ -127:sc= 0.0608 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 57:sc= 1.14 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.12) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0776 USER MOD Single : A 13 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.024) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -142:sc= -0.388 (180deg=-1.76!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00776 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 34:sc= -1.35 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -97:sc= 0.838 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -4.15 K(o=-4.2,f=-8.1!) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= -0.0263 (180deg=-0.246) USER MOD Single : A 66 ASN : amide:sc= -0.775 K(o=-0.78,f=-1.5) USER MOD Single : A 67 ASN : amide:sc= -0.0687 K(o=-0.069,f=-0.6) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -3.27! F(o=-3.9,f=-3.3!) USER MOD Single : A 75 TYR OH : rot 50:sc= 0.828 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -136:sc= -1.41 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0234 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.764 -6.364 27.988 1.00 0.00 N ATOM 2 CA GLY A 1 17.262 -6.327 26.587 1.00 0.00 C ATOM 3 C GLY A 1 17.372 -7.673 25.896 1.00 0.00 C ATOM 4 O GLY A 1 17.544 -8.701 26.550 1.00 0.00 O ATOM 0 H1 GLY A 1 17.035 -5.988 28.628 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.984 -7.346 28.252 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.624 -5.784 28.064 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.221 -6.005 26.586 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.826 -5.585 26.022 1.00 0.00 H new ATOM 10 N SER A 2 17.272 -7.665 24.570 1.00 0.00 N ATOM 11 CA SER A 2 17.361 -8.894 23.791 1.00 0.00 C ATOM 12 C SER A 2 18.267 -8.706 22.579 1.00 0.00 C ATOM 13 O SER A 2 19.323 -9.329 22.478 1.00 0.00 O ATOM 14 CB SER A 2 15.968 -9.337 23.338 1.00 0.00 C ATOM 15 OG SER A 2 15.373 -10.203 24.287 1.00 0.00 O ATOM 0 H SER A 2 17.129 -6.822 24.014 1.00 0.00 H new ATOM 0 HA SER A 2 17.792 -9.667 24.427 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.334 -8.462 23.193 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.039 -9.842 22.375 1.00 0.00 H new ATOM 0 HG SER A 2 14.483 -10.470 23.974 1.00 0.00 H new ATOM 21 N SER A 3 17.846 -7.842 21.661 1.00 0.00 N ATOM 22 CA SER A 3 18.620 -7.571 20.455 1.00 0.00 C ATOM 23 C SER A 3 19.992 -7.004 20.804 1.00 0.00 C ATOM 24 O SER A 3 20.165 -6.366 21.842 1.00 0.00 O ATOM 25 CB SER A 3 17.867 -6.593 19.550 1.00 0.00 C ATOM 26 OG SER A 3 17.681 -5.343 20.191 1.00 0.00 O ATOM 0 H SER A 3 16.974 -7.318 21.729 1.00 0.00 H new ATOM 0 HA SER A 3 18.760 -8.513 19.925 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.422 -6.450 18.623 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.899 -7.014 19.280 1.00 0.00 H new ATOM 0 HG SER A 3 17.199 -4.736 19.591 1.00 0.00 H new ATOM 32 N GLY A 4 20.965 -7.243 19.931 1.00 0.00 N ATOM 33 CA GLY A 4 22.309 -6.750 20.164 1.00 0.00 C ATOM 34 C GLY A 4 23.367 -7.809 19.920 1.00 0.00 C ATOM 35 O GLY A 4 24.253 -7.630 19.086 1.00 0.00 O ATOM 0 H GLY A 4 20.846 -7.770 19.066 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.497 -5.896 19.513 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.388 -6.392 21.190 1.00 0.00 H new ATOM 39 N SER A 5 23.271 -8.916 20.651 1.00 0.00 N ATOM 40 CA SER A 5 24.226 -10.009 20.509 1.00 0.00 C ATOM 41 C SER A 5 23.785 -11.224 21.321 1.00 0.00 C ATOM 42 O SER A 5 24.043 -11.306 22.522 1.00 0.00 O ATOM 43 CB SER A 5 25.617 -9.559 20.957 1.00 0.00 C ATOM 44 OG SER A 5 25.664 -9.364 22.360 1.00 0.00 O ATOM 0 H SER A 5 22.543 -9.079 21.346 1.00 0.00 H new ATOM 0 HA SER A 5 24.265 -10.292 19.457 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.355 -10.306 20.666 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.884 -8.632 20.449 1.00 0.00 H new ATOM 0 HG SER A 5 25.392 -10.189 22.814 1.00 0.00 H new ATOM 50 N SER A 6 23.121 -12.164 20.657 1.00 0.00 N ATOM 51 CA SER A 6 22.645 -13.374 21.316 1.00 0.00 C ATOM 52 C SER A 6 23.437 -14.593 20.855 1.00 0.00 C ATOM 53 O SER A 6 24.242 -15.144 21.607 1.00 0.00 O ATOM 54 CB SER A 6 21.156 -13.583 21.033 1.00 0.00 C ATOM 55 OG SER A 6 20.356 -12.781 21.885 1.00 0.00 O ATOM 0 H SER A 6 22.900 -12.111 19.663 1.00 0.00 H new ATOM 0 HA SER A 6 22.791 -13.253 22.389 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.943 -13.338 19.992 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.900 -14.633 21.172 1.00 0.00 H new ATOM 0 HG SER A 6 19.409 -12.932 21.682 1.00 0.00 H new ATOM 61 N GLY A 7 23.206 -15.008 19.614 1.00 0.00 N ATOM 62 CA GLY A 7 23.906 -16.159 19.074 1.00 0.00 C ATOM 63 C GLY A 7 23.026 -17.003 18.172 1.00 0.00 C ATOM 64 O GLY A 7 23.022 -18.230 18.269 1.00 0.00 O ATOM 0 H GLY A 7 22.546 -14.568 18.972 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.777 -15.820 18.513 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.275 -16.774 19.895 1.00 0.00 H new ATOM 68 N LEU A 8 22.279 -16.343 17.293 1.00 0.00 N ATOM 69 CA LEU A 8 21.391 -17.040 16.370 1.00 0.00 C ATOM 70 C LEU A 8 21.209 -16.241 15.081 1.00 0.00 C ATOM 71 O LEU A 8 21.569 -15.066 15.014 1.00 0.00 O ATOM 72 CB LEU A 8 20.031 -17.292 17.030 1.00 0.00 C ATOM 73 CG LEU A 8 19.747 -18.752 17.386 1.00 0.00 C ATOM 74 CD1 LEU A 8 20.145 -19.036 18.826 1.00 0.00 C ATOM 75 CD2 LEU A 8 18.278 -19.079 17.164 1.00 0.00 C ATOM 0 H LEU A 8 22.271 -15.327 17.201 1.00 0.00 H new ATOM 0 HA LEU A 8 21.846 -17.998 16.118 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.968 -16.693 17.939 1.00 0.00 H new ATOM 0 HB3 LEU A 8 19.248 -16.938 16.360 1.00 0.00 H new ATOM 0 HG LEU A 8 20.343 -19.388 16.732 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.936 -20.079 19.062 1.00 0.00 H new ATOM 0 HD12 LEU A 8 21.210 -18.841 18.954 1.00 0.00 H new ATOM 0 HD13 LEU A 8 19.575 -18.391 19.495 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.094 -20.122 17.422 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.663 -18.436 17.793 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.023 -18.914 16.117 1.00 0.00 H new ATOM 87 N PRO A 9 20.644 -16.871 14.036 1.00 0.00 N ATOM 88 CA PRO A 9 20.415 -16.213 12.747 1.00 0.00 C ATOM 89 C PRO A 9 19.319 -15.156 12.823 1.00 0.00 C ATOM 90 O PRO A 9 18.333 -15.320 13.542 1.00 0.00 O ATOM 91 CB PRO A 9 19.989 -17.362 11.831 1.00 0.00 C ATOM 92 CG PRO A 9 19.408 -18.381 12.749 1.00 0.00 C ATOM 93 CD PRO A 9 20.183 -18.273 14.032 1.00 0.00 C ATOM 0 HA PRO A 9 21.300 -15.680 12.399 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.258 -17.031 11.094 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.838 -17.764 11.279 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.347 -18.195 12.917 1.00 0.00 H new ATOM 0 HG3 PRO A 9 19.493 -19.382 12.325 1.00 0.00 H new ATOM 0 HD2 PRO A 9 19.559 -18.493 14.898 1.00 0.00 H new ATOM 0 HD3 PRO A 9 21.020 -18.971 14.056 1.00 0.00 H new ATOM 101 N ASN A 10 19.497 -14.071 12.077 1.00 0.00 N ATOM 102 CA ASN A 10 18.523 -12.986 12.058 1.00 0.00 C ATOM 103 C ASN A 10 17.986 -12.761 10.649 1.00 0.00 C ATOM 104 O ASN A 10 18.412 -13.418 9.699 1.00 0.00 O ATOM 105 CB ASN A 10 19.155 -11.697 12.587 1.00 0.00 C ATOM 106 CG ASN A 10 18.171 -10.846 13.365 1.00 0.00 C ATOM 107 OD1 ASN A 10 17.811 -11.169 14.497 1.00 0.00 O ATOM 108 ND2 ASN A 10 17.727 -9.751 12.759 1.00 0.00 N ATOM 0 H ASN A 10 20.308 -13.920 11.477 1.00 0.00 H new ATOM 0 HA ASN A 10 17.691 -13.267 12.704 1.00 0.00 H new ATOM 0 HB2 ASN A 10 20.001 -11.947 13.228 1.00 0.00 H new ATOM 0 HB3 ASN A 10 19.549 -11.119 11.751 1.00 0.00 H new ATOM 0 HD21 ASN A 10 17.061 -9.140 13.233 1.00 0.00 H new ATOM 0 HD22 ASN A 10 18.052 -9.521 11.820 1.00 0.00 H new ATOM 115 N SER A 11 17.049 -11.827 10.521 1.00 0.00 N ATOM 116 CA SER A 11 16.454 -11.513 9.227 1.00 0.00 C ATOM 117 C SER A 11 15.760 -12.736 8.635 1.00 0.00 C ATOM 118 O SER A 11 15.926 -13.855 9.123 1.00 0.00 O ATOM 119 CB SER A 11 17.524 -11.003 8.260 1.00 0.00 C ATOM 120 OG SER A 11 16.940 -10.490 7.076 1.00 0.00 O ATOM 0 H SER A 11 16.685 -11.274 11.298 1.00 0.00 H new ATOM 0 HA SER A 11 15.709 -10.732 9.379 1.00 0.00 H new ATOM 0 HB2 SER A 11 18.115 -10.225 8.744 1.00 0.00 H new ATOM 0 HB3 SER A 11 18.208 -11.814 8.010 1.00 0.00 H new ATOM 0 HG SER A 11 17.645 -10.169 6.476 1.00 0.00 H new ATOM 126 N ASP A 12 14.982 -12.515 7.580 1.00 0.00 N ATOM 127 CA ASP A 12 14.261 -13.597 6.918 1.00 0.00 C ATOM 128 C ASP A 12 13.278 -14.262 7.875 1.00 0.00 C ATOM 129 O ASP A 12 13.678 -14.894 8.853 1.00 0.00 O ATOM 130 CB ASP A 12 15.244 -14.636 6.376 1.00 0.00 C ATOM 131 CG ASP A 12 15.668 -14.343 4.949 1.00 0.00 C ATOM 132 OD1 ASP A 12 14.926 -13.625 4.245 1.00 0.00 O ATOM 133 OD2 ASP A 12 16.741 -14.831 4.536 1.00 0.00 O ATOM 0 H ASP A 12 14.835 -11.595 7.165 1.00 0.00 H new ATOM 0 HA ASP A 12 13.699 -13.170 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.126 -14.665 7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.785 -15.624 6.420 1.00 0.00 H new ATOM 138 N HIS A 13 11.989 -14.114 7.587 1.00 0.00 N ATOM 139 CA HIS A 13 10.947 -14.700 8.423 1.00 0.00 C ATOM 140 C HIS A 13 9.793 -15.218 7.572 1.00 0.00 C ATOM 141 O HIS A 13 9.329 -16.343 7.756 1.00 0.00 O ATOM 142 CB HIS A 13 10.432 -13.671 9.430 1.00 0.00 C ATOM 143 CG HIS A 13 11.407 -13.366 10.525 1.00 0.00 C ATOM 144 ND1 HIS A 13 11.813 -14.282 11.468 1.00 0.00 N ATOM 145 CD2 HIS A 13 12.061 -12.213 10.815 1.00 0.00 C ATOM 146 CE1 HIS A 13 12.681 -13.672 12.286 1.00 0.00 C ATOM 147 NE2 HIS A 13 12.867 -12.415 11.932 1.00 0.00 N ATOM 0 H HIS A 13 11.641 -13.594 6.782 1.00 0.00 H new ATOM 0 HA HIS A 13 11.381 -15.541 8.964 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.190 -12.748 8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 13 9.506 -14.039 9.871 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.971 -11.287 10.267 1.00 0.00 H new ATOM 0 HE1 HIS A 13 13.165 -14.148 13.126 1.00 0.00 H new ATOM 0 HE2 HIS A 13 13.476 -11.732 12.383 1.00 0.00 H new ATOM 155 N THR A 14 9.333 -14.390 6.640 1.00 0.00 N ATOM 156 CA THR A 14 8.231 -14.765 5.761 1.00 0.00 C ATOM 157 C THR A 14 8.377 -14.109 4.391 1.00 0.00 C ATOM 158 O THR A 14 7.384 -13.832 3.717 1.00 0.00 O ATOM 159 CB THR A 14 6.893 -14.369 6.388 1.00 0.00 C ATOM 160 OG1 THR A 14 7.013 -14.253 7.795 1.00 0.00 O ATOM 161 CG2 THR A 14 5.783 -15.358 6.102 1.00 0.00 C ATOM 0 H THR A 14 9.706 -13.455 6.474 1.00 0.00 H new ATOM 0 HA THR A 14 8.258 -15.847 5.630 1.00 0.00 H new ATOM 0 HB THR A 14 6.633 -13.413 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.147 -13.998 8.177 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.862 -15.018 6.575 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.632 -15.434 5.025 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.055 -16.336 6.500 1.00 0.00 H new ATOM 169 N THR A 15 9.619 -13.865 3.983 1.00 0.00 N ATOM 170 CA THR A 15 9.890 -13.244 2.692 1.00 0.00 C ATOM 171 C THR A 15 9.246 -11.865 2.604 1.00 0.00 C ATOM 172 O THR A 15 8.740 -11.470 1.553 1.00 0.00 O ATOM 173 CB THR A 15 9.376 -14.131 1.559 1.00 0.00 C ATOM 174 OG1 THR A 15 9.586 -15.499 1.858 1.00 0.00 O ATOM 175 CG2 THR A 15 10.036 -13.845 0.228 1.00 0.00 C ATOM 0 H THR A 15 10.452 -14.088 4.528 1.00 0.00 H new ATOM 0 HA THR A 15 10.969 -13.128 2.593 1.00 0.00 H new ATOM 0 HB THR A 15 8.313 -13.904 1.475 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.249 -16.050 1.121 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.625 -14.509 -0.532 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.849 -12.809 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.110 -14.010 0.312 1.00 0.00 H new ATOM 183 N SER A 16 9.265 -11.136 3.715 1.00 0.00 N ATOM 184 CA SER A 16 8.681 -9.801 3.763 1.00 0.00 C ATOM 185 C SER A 16 9.455 -8.903 4.723 1.00 0.00 C ATOM 186 O SER A 16 9.775 -7.760 4.398 1.00 0.00 O ATOM 187 CB SER A 16 7.215 -9.879 4.191 1.00 0.00 C ATOM 188 OG SER A 16 7.067 -10.654 5.370 1.00 0.00 O ATOM 0 H SER A 16 9.678 -11.447 4.594 1.00 0.00 H new ATOM 0 HA SER A 16 8.739 -9.370 2.764 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.829 -8.874 4.362 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.621 -10.316 3.388 1.00 0.00 H new ATOM 0 HG SER A 16 6.121 -10.687 5.623 1.00 0.00 H new ATOM 194 N ARG A 17 9.753 -9.430 5.906 1.00 0.00 N ATOM 195 CA ARG A 17 10.490 -8.677 6.914 1.00 0.00 C ATOM 196 C ARG A 17 11.894 -8.339 6.426 1.00 0.00 C ATOM 197 O ARG A 17 12.465 -7.317 6.806 1.00 0.00 O ATOM 198 CB ARG A 17 10.569 -9.474 8.218 1.00 0.00 C ATOM 199 CG ARG A 17 10.567 -8.602 9.464 1.00 0.00 C ATOM 200 CD ARG A 17 9.398 -8.932 10.378 1.00 0.00 C ATOM 201 NE ARG A 17 8.115 -8.836 9.684 1.00 0.00 N ATOM 202 CZ ARG A 17 6.943 -8.724 10.304 1.00 0.00 C ATOM 203 NH1 ARG A 17 6.886 -8.693 11.630 1.00 0.00 N ATOM 204 NH2 ARG A 17 5.824 -8.642 9.597 1.00 0.00 N ATOM 0 H ARG A 17 9.496 -10.375 6.190 1.00 0.00 H new ATOM 0 HA ARG A 17 9.956 -7.745 7.096 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.725 -10.163 8.265 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.475 -10.080 8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.503 -8.739 10.006 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.517 -7.552 9.174 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.521 -9.940 10.774 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.401 -8.252 11.230 1.00 0.00 H new ATOM 0 HE ARG A 17 8.118 -8.856 8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.743 -8.755 12.179 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.985 -8.607 12.100 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.862 -8.665 8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.926 -8.556 10.072 1.00 0.00 H new ATOM 218 N ALA A 18 12.447 -9.203 5.581 1.00 0.00 N ATOM 219 CA ALA A 18 13.786 -8.995 5.042 1.00 0.00 C ATOM 220 C ALA A 18 13.774 -7.962 3.920 1.00 0.00 C ATOM 221 O ALA A 18 14.720 -7.190 3.764 1.00 0.00 O ATOM 222 CB ALA A 18 14.363 -10.311 4.543 1.00 0.00 C ATOM 0 H ALA A 18 11.989 -10.054 5.255 1.00 0.00 H new ATOM 0 HA ALA A 18 14.418 -8.613 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.363 -10.142 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.418 -11.021 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.722 -10.715 3.759 1.00 0.00 H new ATOM 228 N MET A 19 12.698 -7.954 3.141 1.00 0.00 N ATOM 229 CA MET A 19 12.563 -7.016 2.032 1.00 0.00 C ATOM 230 C MET A 19 12.624 -5.575 2.526 1.00 0.00 C ATOM 231 O MET A 19 13.240 -4.716 1.893 1.00 0.00 O ATOM 232 CB MET A 19 11.247 -7.258 1.290 1.00 0.00 C ATOM 233 CG MET A 19 11.080 -8.686 0.796 1.00 0.00 C ATOM 234 SD MET A 19 11.252 -8.831 -0.994 1.00 0.00 S ATOM 235 CE MET A 19 9.834 -9.851 -1.389 1.00 0.00 C ATOM 0 H MET A 19 11.906 -8.587 3.257 1.00 0.00 H new ATOM 0 HA MET A 19 13.395 -7.181 1.347 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.416 -7.012 1.951 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.189 -6.579 0.439 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.821 -9.322 1.280 1.00 0.00 H new ATOM 0 HG3 MET A 19 10.099 -9.056 1.093 1.00 0.00 H new ATOM 0 HE1 MET A 19 10.101 -10.555 -2.177 1.00 0.00 H new ATOM 0 HE2 MET A 19 9.523 -10.401 -0.501 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.014 -9.218 -1.730 1.00 0.00 H new ATOM 245 N LEU A 20 11.982 -5.314 3.659 1.00 0.00 N ATOM 246 CA LEU A 20 11.963 -3.976 4.238 1.00 0.00 C ATOM 247 C LEU A 20 13.354 -3.567 4.711 1.00 0.00 C ATOM 248 O LEU A 20 13.788 -2.436 4.494 1.00 0.00 O ATOM 249 CB LEU A 20 10.976 -3.915 5.405 1.00 0.00 C ATOM 250 CG LEU A 20 9.502 -3.837 5.003 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.607 -4.076 6.209 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.195 -2.488 4.369 1.00 0.00 C ATOM 0 H LEU A 20 11.467 -6.012 4.195 1.00 0.00 H new ATOM 0 HA LEU A 20 11.643 -3.278 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.120 -4.797 6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.216 -3.047 6.019 1.00 0.00 H new ATOM 0 HG LEU A 20 9.303 -4.617 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.562 -4.017 5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.809 -5.064 6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.807 -3.318 6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.142 -2.449 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.410 -1.693 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.812 -2.355 3.481 1.00 0.00 H new ATOM 264 N THR A 21 14.048 -4.496 5.361 1.00 0.00 N ATOM 265 CA THR A 21 15.390 -4.233 5.867 1.00 0.00 C ATOM 266 C THR A 21 16.370 -4.012 4.720 1.00 0.00 C ATOM 267 O THR A 21 17.198 -3.102 4.764 1.00 0.00 O ATOM 268 CB THR A 21 15.864 -5.393 6.743 1.00 0.00 C ATOM 269 OG1 THR A 21 14.781 -5.952 7.465 1.00 0.00 O ATOM 270 CG2 THR A 21 16.926 -4.991 7.745 1.00 0.00 C ATOM 0 H THR A 21 13.703 -5.437 5.550 1.00 0.00 H new ATOM 0 HA THR A 21 15.353 -3.325 6.469 1.00 0.00 H new ATOM 0 HB THR A 21 16.294 -6.119 6.053 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.105 -6.694 8.018 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.218 -5.860 8.334 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.796 -4.602 7.216 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.529 -4.221 8.407 1.00 0.00 H new ATOM 278 N SER A 22 16.273 -4.853 3.694 1.00 0.00 N ATOM 279 CA SER A 22 17.152 -4.750 2.536 1.00 0.00 C ATOM 280 C SER A 22 17.006 -3.390 1.859 1.00 0.00 C ATOM 281 O SER A 22 17.969 -2.630 1.757 1.00 0.00 O ATOM 282 CB SER A 22 16.845 -5.866 1.535 1.00 0.00 C ATOM 283 OG SER A 22 18.033 -6.360 0.941 1.00 0.00 O ATOM 0 H SER A 22 15.594 -5.613 3.642 1.00 0.00 H new ATOM 0 HA SER A 22 18.180 -4.854 2.883 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.323 -6.678 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 22 16.177 -5.490 0.760 1.00 0.00 H new ATOM 0 HG SER A 22 17.810 -7.073 0.307 1.00 0.00 H new ATOM 289 N LEU A 23 15.795 -3.090 1.400 1.00 0.00 N ATOM 290 CA LEU A 23 15.524 -1.822 0.734 1.00 0.00 C ATOM 291 C LEU A 23 15.770 -0.648 1.676 1.00 0.00 C ATOM 292 O LEU A 23 16.155 0.437 1.243 1.00 0.00 O ATOM 293 CB LEU A 23 14.082 -1.789 0.223 1.00 0.00 C ATOM 294 CG LEU A 23 13.688 -2.958 -0.681 1.00 0.00 C ATOM 295 CD1 LEU A 23 12.177 -3.028 -0.834 1.00 0.00 C ATOM 296 CD2 LEU A 23 14.358 -2.829 -2.040 1.00 0.00 C ATOM 0 H LEU A 23 14.987 -3.707 1.477 1.00 0.00 H new ATOM 0 HA LEU A 23 16.204 -1.732 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.409 -1.770 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.928 -0.859 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 23 14.029 -3.883 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.915 -3.866 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.718 -3.168 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.813 -2.101 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.067 -3.669 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.048 -1.897 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.441 -2.829 -1.913 1.00 0.00 H new ATOM 308 N GLY A 24 15.544 -0.875 2.966 1.00 0.00 N ATOM 309 CA GLY A 24 15.748 0.174 3.949 1.00 0.00 C ATOM 310 C GLY A 24 14.515 1.034 4.143 1.00 0.00 C ATOM 311 O GLY A 24 14.597 2.261 4.123 1.00 0.00 O ATOM 0 H GLY A 24 15.224 -1.765 3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.028 -0.275 4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.581 0.804 3.636 1.00 0.00 H new ATOM 315 N LEU A 25 13.368 0.388 4.331 1.00 0.00 N ATOM 316 CA LEU A 25 12.112 1.102 4.530 1.00 0.00 C ATOM 317 C LEU A 25 11.481 0.731 5.868 1.00 0.00 C ATOM 318 O LEU A 25 11.907 -0.221 6.523 1.00 0.00 O ATOM 319 CB LEU A 25 11.138 0.790 3.391 1.00 0.00 C ATOM 320 CG LEU A 25 11.708 0.982 1.984 1.00 0.00 C ATOM 321 CD1 LEU A 25 11.114 -0.037 1.024 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.446 2.397 1.493 1.00 0.00 C ATOM 0 H LEU A 25 13.283 -0.628 4.350 1.00 0.00 H new ATOM 0 HA LEU A 25 12.327 2.171 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.801 -0.242 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.259 1.425 3.501 1.00 0.00 H new ATOM 0 HG LEU A 25 12.786 0.826 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.531 0.115 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.353 -1.043 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.032 0.086 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.858 2.517 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.372 2.580 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.920 3.110 2.168 1.00 0.00 H new ATOM 334 N LYS A 26 10.467 1.489 6.269 1.00 0.00 N ATOM 335 CA LYS A 26 9.779 1.240 7.529 1.00 0.00 C ATOM 336 C LYS A 26 8.412 1.919 7.546 1.00 0.00 C ATOM 337 O LYS A 26 8.115 2.758 6.697 1.00 0.00 O ATOM 338 CB LYS A 26 10.625 1.737 8.703 1.00 0.00 C ATOM 339 CG LYS A 26 10.765 0.721 9.825 1.00 0.00 C ATOM 340 CD LYS A 26 12.084 -0.030 9.738 1.00 0.00 C ATOM 341 CE LYS A 26 12.141 -1.175 10.734 1.00 0.00 C ATOM 342 NZ LYS A 26 12.872 -2.351 10.189 1.00 0.00 N ATOM 0 H LYS A 26 10.103 2.281 5.739 1.00 0.00 H new ATOM 0 HA LYS A 26 9.631 0.165 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.617 2.002 8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.178 2.648 9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.697 1.229 10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.938 0.012 9.780 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.217 -0.418 8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.908 0.658 9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.629 -0.837 11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.127 -1.471 11.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.888 -3.110 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.393 -2.691 9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.847 -2.076 9.955 1.00 0.00 H new ATOM 356 N LEU A 27 7.586 1.549 8.519 1.00 0.00 N ATOM 357 CA LEU A 27 6.251 2.122 8.646 1.00 0.00 C ATOM 358 C LEU A 27 6.323 3.566 9.133 1.00 0.00 C ATOM 359 O LEU A 27 6.821 3.839 10.224 1.00 0.00 O ATOM 360 CB LEU A 27 5.405 1.288 9.611 1.00 0.00 C ATOM 361 CG LEU A 27 5.078 -0.126 9.128 1.00 0.00 C ATOM 362 CD1 LEU A 27 4.880 -1.061 10.311 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.842 -0.115 8.243 1.00 0.00 C ATOM 0 H LEU A 27 7.817 0.856 9.230 1.00 0.00 H new ATOM 0 HA LEU A 27 5.783 2.112 7.662 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.930 1.218 10.563 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.471 1.816 9.801 1.00 0.00 H new ATOM 0 HG LEU A 27 5.919 -0.491 8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.648 -2.062 9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.793 -1.093 10.906 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.057 -0.699 10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.625 -1.130 7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.993 0.271 8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.020 0.522 7.377 1.00 0.00 H new ATOM 375 N GLY A 28 5.821 4.485 8.315 1.00 0.00 N ATOM 376 CA GLY A 28 5.838 5.891 8.679 1.00 0.00 C ATOM 377 C GLY A 28 6.663 6.728 7.721 1.00 0.00 C ATOM 378 O GLY A 28 6.397 7.916 7.538 1.00 0.00 O ATOM 0 H GLY A 28 5.403 4.282 7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.816 6.270 8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.239 5.997 9.687 1.00 0.00 H new ATOM 382 N ASP A 29 7.665 6.108 7.109 1.00 0.00 N ATOM 383 CA ASP A 29 8.532 6.804 6.165 1.00 0.00 C ATOM 384 C ASP A 29 7.837 6.985 4.819 1.00 0.00 C ATOM 385 O ASP A 29 6.753 6.448 4.592 1.00 0.00 O ATOM 386 CB ASP A 29 9.840 6.032 5.977 1.00 0.00 C ATOM 387 CG ASP A 29 10.621 5.896 7.269 1.00 0.00 C ATOM 388 OD1 ASP A 29 10.503 6.792 8.131 1.00 0.00 O ATOM 389 OD2 ASP A 29 11.350 4.894 7.419 1.00 0.00 O ATOM 0 H ASP A 29 7.897 5.125 7.249 1.00 0.00 H new ATOM 0 HA ASP A 29 8.755 7.790 6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.620 5.040 5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.456 6.541 5.235 1.00 0.00 H new ATOM 394 N ARG A 30 8.470 7.743 3.929 1.00 0.00 N ATOM 395 CA ARG A 30 7.913 7.996 2.606 1.00 0.00 C ATOM 396 C ARG A 30 8.455 6.997 1.589 1.00 0.00 C ATOM 397 O ARG A 30 9.663 6.784 1.496 1.00 0.00 O ATOM 398 CB ARG A 30 8.235 9.422 2.158 1.00 0.00 C ATOM 399 CG ARG A 30 7.454 10.488 2.910 1.00 0.00 C ATOM 400 CD ARG A 30 6.375 11.111 2.039 1.00 0.00 C ATOM 401 NE ARG A 30 5.391 11.848 2.829 1.00 0.00 N ATOM 402 CZ ARG A 30 5.640 13.012 3.424 1.00 0.00 C ATOM 403 NH1 ARG A 30 6.837 13.576 3.322 1.00 0.00 N ATOM 404 NH2 ARG A 30 4.688 13.615 4.124 1.00 0.00 N ATOM 0 H ARG A 30 9.369 8.193 4.101 1.00 0.00 H new ATOM 0 HA ARG A 30 6.831 7.877 2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.302 9.603 2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.026 9.515 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.997 10.048 3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.137 11.264 3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.836 11.784 1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.871 10.329 1.471 1.00 0.00 H new ATOM 0 HE ARG A 30 4.459 11.447 2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.573 13.117 2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.021 14.468 3.781 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.766 13.186 4.206 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.878 14.507 4.580 1.00 0.00 H new ATOM 418 N VAL A 31 7.553 6.384 0.829 1.00 0.00 N ATOM 419 CA VAL A 31 7.940 5.407 -0.181 1.00 0.00 C ATOM 420 C VAL A 31 7.520 5.859 -1.575 1.00 0.00 C ATOM 421 O VAL A 31 6.824 6.863 -1.729 1.00 0.00 O ATOM 422 CB VAL A 31 7.321 4.027 0.107 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.951 3.406 1.345 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.813 4.140 0.267 1.00 0.00 C ATOM 0 H VAL A 31 6.548 6.547 0.894 1.00 0.00 H new ATOM 0 HA VAL A 31 9.026 5.326 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 31 7.525 3.374 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.501 2.431 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.023 3.286 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.782 4.055 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.394 3.155 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.584 4.809 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.379 4.537 -0.650 1.00 0.00 H new ATOM 434 N VAL A 32 7.948 5.113 -2.589 1.00 0.00 N ATOM 435 CA VAL A 32 7.617 5.439 -3.970 1.00 0.00 C ATOM 436 C VAL A 32 7.323 4.176 -4.777 1.00 0.00 C ATOM 437 O VAL A 32 8.116 3.236 -4.788 1.00 0.00 O ATOM 438 CB VAL A 32 8.757 6.220 -4.653 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.030 5.387 -4.694 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.349 6.653 -6.053 1.00 0.00 C ATOM 0 H VAL A 32 8.525 4.279 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 32 6.725 6.065 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 32 8.957 7.116 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.822 5.957 -5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.334 5.137 -3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.847 4.470 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.168 7.203 -6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.117 5.773 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.470 7.294 -5.994 1.00 0.00 H new ATOM 450 N ILE A 33 6.176 4.165 -5.450 1.00 0.00 N ATOM 451 CA ILE A 33 5.778 3.019 -6.259 1.00 0.00 C ATOM 452 C ILE A 33 6.515 3.006 -7.594 1.00 0.00 C ATOM 453 O ILE A 33 6.239 3.820 -8.475 1.00 0.00 O ATOM 454 CB ILE A 33 4.261 3.019 -6.525 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.493 3.227 -5.218 1.00 0.00 C ATOM 456 CG2 ILE A 33 3.839 1.719 -7.193 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.044 3.616 -5.424 1.00 0.00 C ATOM 0 H ILE A 33 5.508 4.935 -5.451 1.00 0.00 H new ATOM 0 HA ILE A 33 6.041 2.126 -5.692 1.00 0.00 H new ATOM 0 HB ILE A 33 4.025 3.843 -7.199 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.535 2.309 -4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.989 4.002 -4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.764 1.735 -7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.365 1.610 -8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.085 0.879 -6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.561 3.747 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.994 4.550 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.532 2.831 -5.981 1.00 0.00 H new ATOM 469 N ALA A 34 7.453 2.076 -7.737 1.00 0.00 N ATOM 470 CA ALA A 34 8.230 1.956 -8.965 1.00 0.00 C ATOM 471 C ALA A 34 8.993 3.243 -9.260 1.00 0.00 C ATOM 472 O ALA A 34 9.247 3.574 -10.417 1.00 0.00 O ATOM 473 CB ALA A 34 7.321 1.599 -10.131 1.00 0.00 C ATOM 0 H ALA A 34 7.694 1.394 -7.018 1.00 0.00 H new ATOM 0 HA ALA A 34 8.958 1.157 -8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.914 1.513 -11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.826 0.649 -9.929 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.571 2.379 -10.259 1.00 0.00 H new ATOM 479 N GLY A 35 9.355 3.965 -8.204 1.00 0.00 N ATOM 480 CA GLY A 35 10.085 5.209 -8.370 1.00 0.00 C ATOM 481 C GLY A 35 9.340 6.209 -9.233 1.00 0.00 C ATOM 482 O GLY A 35 9.953 6.990 -9.960 1.00 0.00 O ATOM 0 H GLY A 35 9.156 3.711 -7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.274 5.649 -7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.056 5.000 -8.818 1.00 0.00 H new ATOM 486 N GLN A 36 8.014 6.185 -9.150 1.00 0.00 N ATOM 487 CA GLN A 36 7.183 7.095 -9.929 1.00 0.00 C ATOM 488 C GLN A 36 6.155 7.788 -9.041 1.00 0.00 C ATOM 489 O GLN A 36 6.203 9.004 -8.851 1.00 0.00 O ATOM 490 CB GLN A 36 6.475 6.337 -11.054 1.00 0.00 C ATOM 491 CG GLN A 36 7.428 5.699 -12.051 1.00 0.00 C ATOM 492 CD GLN A 36 7.502 6.464 -13.358 1.00 0.00 C ATOM 493 OE1 GLN A 36 7.095 7.623 -13.437 1.00 0.00 O ATOM 494 NE2 GLN A 36 8.025 5.817 -14.394 1.00 0.00 N ATOM 0 H GLN A 36 7.492 5.545 -8.551 1.00 0.00 H new ATOM 0 HA GLN A 36 7.831 7.855 -10.365 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.846 5.561 -10.618 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.814 7.023 -11.584 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.424 5.642 -11.611 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.108 4.676 -12.250 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.350 4.856 -14.284 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.101 6.281 -15.299 1.00 0.00 H new ATOM 503 N LYS A 37 5.225 7.008 -8.499 1.00 0.00 N ATOM 504 CA LYS A 37 4.186 7.547 -7.631 1.00 0.00 C ATOM 505 C LYS A 37 4.711 7.744 -6.212 1.00 0.00 C ATOM 506 O LYS A 37 5.229 6.813 -5.597 1.00 0.00 O ATOM 507 CB LYS A 37 2.971 6.617 -7.616 1.00 0.00 C ATOM 508 CG LYS A 37 1.938 6.949 -8.681 1.00 0.00 C ATOM 509 CD LYS A 37 0.528 6.615 -8.218 1.00 0.00 C ATOM 510 CE LYS A 37 -0.100 5.528 -9.076 1.00 0.00 C ATOM 511 NZ LYS A 37 0.400 4.174 -8.712 1.00 0.00 N ATOM 0 H LYS A 37 5.170 6.000 -8.646 1.00 0.00 H new ATOM 0 HA LYS A 37 3.885 8.518 -8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.308 5.590 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.498 6.666 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.998 8.009 -8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.163 6.395 -9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.553 6.289 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.090 7.512 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.184 5.557 -8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.116 5.724 -10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.052 3.462 -9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.431 4.137 -8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.171 3.975 -7.717 1.00 0.00 H new ATOM 525 N VAL A 38 4.570 8.961 -5.699 1.00 0.00 N ATOM 526 CA VAL A 38 5.031 9.281 -4.353 1.00 0.00 C ATOM 527 C VAL A 38 3.888 9.193 -3.346 1.00 0.00 C ATOM 528 O VAL A 38 2.800 9.718 -3.581 1.00 0.00 O ATOM 529 CB VAL A 38 5.648 10.690 -4.289 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.300 10.929 -2.936 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.652 10.885 -5.415 1.00 0.00 C ATOM 0 H VAL A 38 4.140 9.742 -6.195 1.00 0.00 H new ATOM 0 HA VAL A 38 5.795 8.547 -4.098 1.00 0.00 H new ATOM 0 HB VAL A 38 4.849 11.421 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.730 11.930 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.551 10.836 -2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.087 10.192 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.078 11.887 -5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.448 10.146 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.151 10.762 -6.375 1.00 0.00 H new ATOM 541 N GLY A 39 4.145 8.527 -2.226 1.00 0.00 N ATOM 542 CA GLY A 39 3.129 8.382 -1.200 1.00 0.00 C ATOM 543 C GLY A 39 3.706 7.927 0.127 1.00 0.00 C ATOM 544 O GLY A 39 4.838 7.448 0.187 1.00 0.00 O ATOM 0 H GLY A 39 5.038 8.085 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.617 9.334 -1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.381 7.663 -1.533 1.00 0.00 H new ATOM 548 N THR A 40 2.925 8.077 1.191 1.00 0.00 N ATOM 549 CA THR A 40 3.365 7.678 2.523 1.00 0.00 C ATOM 550 C THR A 40 2.927 6.251 2.835 1.00 0.00 C ATOM 551 O THR A 40 1.738 5.933 2.800 1.00 0.00 O ATOM 552 CB THR A 40 2.805 8.636 3.577 1.00 0.00 C ATOM 553 OG1 THR A 40 2.551 9.911 3.011 1.00 0.00 O ATOM 554 CG2 THR A 40 3.731 8.834 4.757 1.00 0.00 C ATOM 0 H THR A 40 1.985 8.472 1.157 1.00 0.00 H new ATOM 0 HA THR A 40 4.454 7.719 2.546 1.00 0.00 H new ATOM 0 HB THR A 40 1.885 8.171 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.192 10.509 3.699 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.274 9.524 5.466 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.908 7.876 5.245 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.679 9.245 4.410 1.00 0.00 H new ATOM 562 N LEU A 41 3.897 5.394 3.140 1.00 0.00 N ATOM 563 CA LEU A 41 3.612 4.000 3.458 1.00 0.00 C ATOM 564 C LEU A 41 2.857 3.886 4.778 1.00 0.00 C ATOM 565 O LEU A 41 3.300 4.401 5.805 1.00 0.00 O ATOM 566 CB LEU A 41 4.912 3.195 3.530 1.00 0.00 C ATOM 567 CG LEU A 41 4.741 1.722 3.905 1.00 0.00 C ATOM 568 CD1 LEU A 41 3.888 1.004 2.872 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.099 1.047 4.041 1.00 0.00 C ATOM 0 H LEU A 41 4.886 5.641 3.173 1.00 0.00 H new ATOM 0 HA LEU A 41 2.984 3.594 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.411 3.252 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.573 3.665 4.258 1.00 0.00 H new ATOM 0 HG LEU A 41 4.231 1.668 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.777 -0.043 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.905 1.472 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.369 1.067 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.960 -0.001 4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.634 1.112 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.677 1.546 4.819 1.00 0.00 H new ATOM 581 N ARG A 42 1.714 3.208 4.743 1.00 0.00 N ATOM 582 CA ARG A 42 0.897 3.026 5.937 1.00 0.00 C ATOM 583 C ARG A 42 0.924 1.573 6.399 1.00 0.00 C ATOM 584 O ARG A 42 0.971 1.293 7.596 1.00 0.00 O ATOM 585 CB ARG A 42 -0.545 3.459 5.664 1.00 0.00 C ATOM 586 CG ARG A 42 -0.652 4.772 4.904 1.00 0.00 C ATOM 587 CD ARG A 42 -0.127 5.937 5.727 1.00 0.00 C ATOM 588 NE ARG A 42 -1.209 6.724 6.315 1.00 0.00 N ATOM 589 CZ ARG A 42 -1.062 7.967 6.766 1.00 0.00 C ATOM 590 NH1 ARG A 42 0.120 8.568 6.702 1.00 0.00 N ATOM 591 NH2 ARG A 42 -2.098 8.611 7.285 1.00 0.00 N ATOM 0 H ARG A 42 1.333 2.776 3.901 1.00 0.00 H new ATOM 0 HA ARG A 42 1.313 3.648 6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.049 2.677 5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.073 3.554 6.613 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.090 4.701 3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.693 4.954 4.636 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.518 5.559 6.520 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.487 6.579 5.096 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.132 6.295 6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.921 8.077 6.306 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.227 9.521 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.008 8.154 7.339 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.985 9.564 7.631 1.00 0.00 H new ATOM 605 N PHE A 43 0.895 0.653 5.441 1.00 0.00 N ATOM 606 CA PHE A 43 0.917 -0.772 5.750 1.00 0.00 C ATOM 607 C PHE A 43 1.882 -1.513 4.829 1.00 0.00 C ATOM 608 O PHE A 43 2.113 -1.099 3.693 1.00 0.00 O ATOM 609 CB PHE A 43 -0.488 -1.365 5.618 1.00 0.00 C ATOM 610 CG PHE A 43 -0.558 -2.824 5.972 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.511 -3.231 7.294 1.00 0.00 C ATOM 612 CD2 PHE A 43 -0.674 -3.785 4.980 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.577 -4.572 7.623 1.00 0.00 C ATOM 614 CE2 PHE A 43 -0.739 -5.127 5.303 1.00 0.00 C ATOM 615 CZ PHE A 43 -0.692 -5.521 6.626 1.00 0.00 C ATOM 0 H PHE A 43 0.856 0.868 4.445 1.00 0.00 H new ATOM 0 HA PHE A 43 1.260 -0.891 6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.170 -0.810 6.262 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.836 -1.231 4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.422 -2.493 8.077 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.714 -3.482 3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.539 -4.877 8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.826 -5.867 4.522 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.745 -6.569 6.880 1.00 0.00 H new ATOM 625 N CYS A 44 2.444 -2.609 5.329 1.00 0.00 N ATOM 626 CA CYS A 44 3.385 -3.407 4.552 1.00 0.00 C ATOM 627 C CYS A 44 3.182 -4.896 4.815 1.00 0.00 C ATOM 628 O CYS A 44 3.013 -5.317 5.959 1.00 0.00 O ATOM 629 CB CYS A 44 4.823 -3.009 4.889 1.00 0.00 C ATOM 630 SG CYS A 44 5.176 -2.950 6.661 1.00 0.00 S ATOM 0 H CYS A 44 2.264 -2.964 6.268 1.00 0.00 H new ATOM 0 HA CYS A 44 3.200 -3.215 3.495 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.505 -3.717 4.417 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.029 -2.030 4.456 1.00 0.00 H new ATOM 0 HG CYS A 44 4.486 -3.867 7.272 1.00 0.00 H new ATOM 636 N GLY A 45 3.202 -5.689 3.749 1.00 0.00 N ATOM 637 CA GLY A 45 3.019 -7.121 3.886 1.00 0.00 C ATOM 638 C GLY A 45 2.300 -7.731 2.699 1.00 0.00 C ATOM 639 O GLY A 45 2.608 -7.416 1.549 1.00 0.00 O ATOM 0 H GLY A 45 3.342 -5.365 2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.992 -7.599 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.453 -7.326 4.794 1.00 0.00 H new ATOM 643 N THR A 46 1.339 -8.605 2.977 1.00 0.00 N ATOM 644 CA THR A 46 0.572 -9.262 1.925 1.00 0.00 C ATOM 645 C THR A 46 -0.860 -8.739 1.888 1.00 0.00 C ATOM 646 O THR A 46 -1.263 -7.941 2.733 1.00 0.00 O ATOM 647 CB THR A 46 0.569 -10.775 2.136 1.00 0.00 C ATOM 648 OG1 THR A 46 0.071 -11.101 3.422 1.00 0.00 O ATOM 649 CG2 THR A 46 1.940 -11.402 2.003 1.00 0.00 C ATOM 0 H THR A 46 1.072 -8.875 3.924 1.00 0.00 H new ATOM 0 HA THR A 46 1.047 -9.037 0.970 1.00 0.00 H new ATOM 0 HB THR A 46 -0.073 -11.174 1.350 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.075 -12.074 3.537 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.866 -12.477 2.165 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.332 -11.211 1.004 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.611 -10.969 2.745 1.00 0.00 H new ATOM 657 N THR A 47 -1.625 -9.196 0.901 1.00 0.00 N ATOM 658 CA THR A 47 -3.014 -8.776 0.754 1.00 0.00 C ATOM 659 C THR A 47 -3.907 -9.962 0.408 1.00 0.00 C ATOM 660 O THR A 47 -3.444 -11.100 0.334 1.00 0.00 O ATOM 661 CB THR A 47 -3.131 -7.702 -0.328 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.616 -8.174 -1.561 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.399 -6.423 0.015 1.00 0.00 C ATOM 0 H THR A 47 -1.307 -9.857 0.192 1.00 0.00 H new ATOM 0 HA THR A 47 -3.345 -8.361 1.706 1.00 0.00 H new ATOM 0 HB THR A 47 -4.196 -7.483 -0.402 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.692 -7.866 -1.669 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.523 -5.704 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.807 -6.006 0.936 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.339 -6.636 0.152 1.00 0.00 H new ATOM 671 N GLU A 48 -5.192 -9.689 0.197 1.00 0.00 N ATOM 672 CA GLU A 48 -6.150 -10.735 -0.142 1.00 0.00 C ATOM 673 C GLU A 48 -6.890 -10.398 -1.432 1.00 0.00 C ATOM 674 O GLU A 48 -8.047 -10.776 -1.612 1.00 0.00 O ATOM 675 CB GLU A 48 -7.151 -10.927 1.000 1.00 0.00 C ATOM 676 CG GLU A 48 -6.513 -11.410 2.293 1.00 0.00 C ATOM 677 CD GLU A 48 -6.345 -12.916 2.331 1.00 0.00 C ATOM 678 OE1 GLU A 48 -7.365 -13.625 2.463 1.00 0.00 O ATOM 679 OE2 GLU A 48 -5.193 -13.389 2.229 1.00 0.00 O ATOM 0 H GLU A 48 -5.593 -8.753 0.255 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.599 -11.663 -0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.662 -9.982 1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.911 -11.644 0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.539 -10.936 2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.127 -11.095 3.137 1.00 0.00 H new ATOM 686 N PHE A 49 -6.214 -9.687 -2.328 1.00 0.00 N ATOM 687 CA PHE A 49 -6.806 -9.300 -3.603 1.00 0.00 C ATOM 688 C PHE A 49 -5.748 -9.255 -4.701 1.00 0.00 C ATOM 689 O PHE A 49 -5.831 -8.445 -5.624 1.00 0.00 O ATOM 690 CB PHE A 49 -7.490 -7.937 -3.480 1.00 0.00 C ATOM 691 CG PHE A 49 -6.581 -6.852 -2.977 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.810 -6.112 -3.859 1.00 0.00 C ATOM 693 CD2 PHE A 49 -6.498 -6.572 -1.622 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.972 -5.113 -3.399 1.00 0.00 C ATOM 695 CE2 PHE A 49 -5.663 -5.575 -1.157 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.899 -4.844 -2.046 1.00 0.00 C ATOM 0 H PHE A 49 -5.255 -9.367 -2.194 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.552 -10.048 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.883 -7.648 -4.455 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.342 -8.027 -2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.864 -6.318 -4.918 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.093 -7.140 -0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.375 -4.544 -4.096 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.607 -5.367 -0.099 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.246 -4.064 -1.684 1.00 0.00 H new ATOM 706 N ALA A 50 -4.755 -10.130 -4.592 1.00 0.00 N ATOM 707 CA ALA A 50 -3.678 -10.192 -5.573 1.00 0.00 C ATOM 708 C ALA A 50 -2.722 -11.342 -5.273 1.00 0.00 C ATOM 709 O ALA A 50 -2.219 -11.999 -6.184 1.00 0.00 O ATOM 710 CB ALA A 50 -2.922 -8.872 -5.611 1.00 0.00 C ATOM 0 H ALA A 50 -4.673 -10.807 -3.833 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.124 -10.373 -6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.121 -8.933 -6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.606 -8.069 -5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.497 -8.668 -4.628 1.00 0.00 H new ATOM 716 N SER A 51 -2.474 -11.580 -3.986 1.00 0.00 N ATOM 717 CA SER A 51 -1.577 -12.651 -3.560 1.00 0.00 C ATOM 718 C SER A 51 -0.123 -12.289 -3.850 1.00 0.00 C ATOM 719 O SER A 51 0.362 -12.471 -4.966 1.00 0.00 O ATOM 720 CB SER A 51 -1.939 -13.967 -4.256 1.00 0.00 C ATOM 721 OG SER A 51 -2.055 -15.024 -3.320 1.00 0.00 O ATOM 0 H SER A 51 -2.883 -11.044 -3.220 1.00 0.00 H new ATOM 0 HA SER A 51 -1.695 -12.779 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.879 -13.850 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.176 -14.213 -4.995 1.00 0.00 H new ATOM 0 HG SER A 51 -2.288 -15.852 -3.789 1.00 0.00 H new ATOM 727 N GLY A 52 0.565 -11.777 -2.834 1.00 0.00 N ATOM 728 CA GLY A 52 1.956 -11.396 -2.998 1.00 0.00 C ATOM 729 C GLY A 52 2.382 -10.325 -2.013 1.00 0.00 C ATOM 730 O GLY A 52 1.629 -9.973 -1.106 1.00 0.00 O ATOM 0 H GLY A 52 0.184 -11.619 -1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.588 -12.275 -2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.113 -11.035 -4.014 1.00 0.00 H new ATOM 734 N GLN A 53 3.591 -9.806 -2.194 1.00 0.00 N ATOM 735 CA GLN A 53 4.116 -8.768 -1.314 1.00 0.00 C ATOM 736 C GLN A 53 3.668 -7.386 -1.779 1.00 0.00 C ATOM 737 O GLN A 53 4.199 -6.844 -2.749 1.00 0.00 O ATOM 738 CB GLN A 53 5.643 -8.834 -1.268 1.00 0.00 C ATOM 739 CG GLN A 53 6.176 -9.931 -0.361 1.00 0.00 C ATOM 740 CD GLN A 53 5.956 -9.628 1.109 1.00 0.00 C ATOM 741 OE1 GLN A 53 6.687 -8.840 1.707 1.00 0.00 O ATOM 742 NE2 GLN A 53 4.945 -10.257 1.698 1.00 0.00 N ATOM 0 H GLN A 53 4.226 -10.087 -2.941 1.00 0.00 H new ATOM 0 HA GLN A 53 3.722 -8.940 -0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.022 -8.992 -2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.030 -7.873 -0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.689 -10.873 -0.611 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.242 -10.064 -0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.364 -10.902 1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.749 -10.094 2.686 1.00 0.00 H new ATOM 751 N TRP A 54 2.688 -6.822 -1.081 1.00 0.00 N ATOM 752 CA TRP A 54 2.167 -5.502 -1.421 1.00 0.00 C ATOM 753 C TRP A 54 2.411 -4.511 -0.288 1.00 0.00 C ATOM 754 O TRP A 54 2.896 -4.881 0.780 1.00 0.00 O ATOM 755 CB TRP A 54 0.671 -5.586 -1.728 1.00 0.00 C ATOM 756 CG TRP A 54 0.354 -6.448 -2.911 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.202 -7.805 -2.920 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.154 -6.012 -4.261 1.00 0.00 C ATOM 759 NE1 TRP A 54 -0.082 -8.238 -4.192 1.00 0.00 N ATOM 760 CE2 TRP A 54 -0.117 -7.157 -5.032 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.175 -4.764 -4.890 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.363 -7.091 -6.402 1.00 0.00 C ATOM 763 CZ3 TRP A 54 -0.069 -4.700 -6.249 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.335 -5.857 -6.992 1.00 0.00 C ATOM 0 H TRP A 54 2.238 -7.258 -0.276 1.00 0.00 H new ATOM 0 HA TRP A 54 2.694 -5.148 -2.307 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.150 -5.976 -0.854 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.287 -4.581 -1.906 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.292 -8.444 -2.054 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.241 -9.207 -4.467 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.378 -3.866 -4.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.568 -7.982 -6.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.054 -3.741 -6.746 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.522 -5.773 -8.052 1.00 0.00 H new ATOM 775 N ALA A 55 2.069 -3.249 -0.530 1.00 0.00 N ATOM 776 CA ALA A 55 2.251 -2.205 0.469 1.00 0.00 C ATOM 777 C ALA A 55 1.138 -1.164 0.383 1.00 0.00 C ATOM 778 O ALA A 55 0.848 -0.640 -0.691 1.00 0.00 O ATOM 779 CB ALA A 55 3.608 -1.541 0.299 1.00 0.00 C ATOM 0 H ALA A 55 1.665 -2.926 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 55 2.207 -2.669 1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.729 -0.763 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.395 -2.286 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.674 -1.097 -0.694 1.00 0.00 H new ATOM 785 N GLY A 56 0.520 -0.871 1.523 1.00 0.00 N ATOM 786 CA GLY A 56 -0.554 0.105 1.552 1.00 0.00 C ATOM 787 C GLY A 56 -0.040 1.531 1.576 1.00 0.00 C ATOM 788 O GLY A 56 0.141 2.114 2.644 1.00 0.00 O ATOM 0 H GLY A 56 0.743 -1.291 2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.191 -0.034 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.175 -0.069 2.430 1.00 0.00 H new ATOM 792 N ILE A 57 0.195 2.093 0.394 1.00 0.00 N ATOM 793 CA ILE A 57 0.692 3.459 0.283 1.00 0.00 C ATOM 794 C ILE A 57 -0.450 4.441 0.045 1.00 0.00 C ATOM 795 O ILE A 57 -1.371 4.163 -0.722 1.00 0.00 O ATOM 796 CB ILE A 57 1.717 3.593 -0.860 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.769 2.487 -0.764 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.375 4.964 -0.823 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.577 2.311 -2.031 1.00 0.00 C ATOM 0 H ILE A 57 0.049 1.623 -0.500 1.00 0.00 H new ATOM 0 HA ILE A 57 1.181 3.696 1.228 1.00 0.00 H new ATOM 0 HB ILE A 57 1.195 3.488 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.446 2.711 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.274 1.546 -0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.096 5.043 -1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.614 5.736 -0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.887 5.096 0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.303 1.510 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.911 2.056 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.100 3.239 -2.261 1.00 0.00 H new ATOM 811 N GLU A 58 -0.381 5.591 0.707 1.00 0.00 N ATOM 812 CA GLU A 58 -1.409 6.617 0.568 1.00 0.00 C ATOM 813 C GLU A 58 -0.884 7.807 -0.230 1.00 0.00 C ATOM 814 O GLU A 58 -0.073 8.589 0.265 1.00 0.00 O ATOM 815 CB GLU A 58 -1.885 7.082 1.945 1.00 0.00 C ATOM 816 CG GLU A 58 -3.306 7.624 1.945 1.00 0.00 C ATOM 817 CD GLU A 58 -3.448 8.891 2.766 1.00 0.00 C ATOM 818 OE1 GLU A 58 -2.872 8.948 3.873 1.00 0.00 O ATOM 819 OE2 GLU A 58 -4.133 9.825 2.301 1.00 0.00 O ATOM 0 H GLU A 58 0.376 5.836 1.345 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.251 6.183 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.823 6.247 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.210 7.855 2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.614 7.824 0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.981 6.864 2.338 1.00 0.00 H new ATOM 826 N LEU A 59 -1.354 7.938 -1.466 1.00 0.00 N ATOM 827 CA LEU A 59 -0.932 9.032 -2.333 1.00 0.00 C ATOM 828 C LEU A 59 -1.454 10.368 -1.815 1.00 0.00 C ATOM 829 O LEU A 59 -2.592 10.465 -1.351 1.00 0.00 O ATOM 830 CB LEU A 59 -1.425 8.797 -3.762 1.00 0.00 C ATOM 831 CG LEU A 59 -1.129 7.408 -4.328 1.00 0.00 C ATOM 832 CD1 LEU A 59 -2.142 7.042 -5.401 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.285 7.353 -4.887 1.00 0.00 C ATOM 0 H LEU A 59 -2.027 7.300 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 59 0.158 9.064 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.502 8.962 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.971 9.543 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.209 6.681 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.915 6.050 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.144 7.042 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.094 7.771 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.480 6.358 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.390 8.090 -5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.999 7.572 -4.093 1.00 0.00 H new ATOM 845 N ASP A 60 -0.617 11.398 -1.898 1.00 0.00 N ATOM 846 CA ASP A 60 -0.994 12.729 -1.438 1.00 0.00 C ATOM 847 C ASP A 60 -2.125 13.298 -2.290 1.00 0.00 C ATOM 848 O ASP A 60 -2.979 14.033 -1.795 1.00 0.00 O ATOM 849 CB ASP A 60 0.214 13.667 -1.482 1.00 0.00 C ATOM 850 CG ASP A 60 0.204 14.675 -0.349 1.00 0.00 C ATOM 851 OD1 ASP A 60 -0.365 14.363 0.719 1.00 0.00 O ATOM 852 OD2 ASP A 60 0.765 15.776 -0.529 1.00 0.00 O ATOM 0 H ASP A 60 0.327 11.336 -2.280 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.344 12.646 -0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.130 13.078 -1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.226 14.196 -2.435 1.00 0.00 H new ATOM 857 N GLU A 61 -2.122 12.954 -3.574 1.00 0.00 N ATOM 858 CA GLU A 61 -3.147 13.430 -4.495 1.00 0.00 C ATOM 859 C GLU A 61 -4.162 12.331 -4.794 1.00 0.00 C ATOM 860 O GLU A 61 -3.852 11.144 -4.697 1.00 0.00 O ATOM 861 CB GLU A 61 -2.506 13.916 -5.796 1.00 0.00 C ATOM 862 CG GLU A 61 -1.474 15.014 -5.592 1.00 0.00 C ATOM 863 CD GLU A 61 -0.051 14.503 -5.693 1.00 0.00 C ATOM 864 OE1 GLU A 61 0.427 14.298 -6.828 1.00 0.00 O ATOM 865 OE2 GLU A 61 0.586 14.308 -4.636 1.00 0.00 O ATOM 0 H GLU A 61 -1.421 12.347 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.668 14.262 -4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.032 13.071 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.287 14.282 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.629 15.796 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.623 15.471 -4.614 1.00 0.00 H new ATOM 872 N PRO A 62 -5.397 12.713 -5.163 1.00 0.00 N ATOM 873 CA PRO A 62 -6.460 11.752 -5.476 1.00 0.00 C ATOM 874 C PRO A 62 -6.183 10.983 -6.764 1.00 0.00 C ATOM 875 O PRO A 62 -6.731 11.300 -7.819 1.00 0.00 O ATOM 876 CB PRO A 62 -7.703 12.632 -5.634 1.00 0.00 C ATOM 877 CG PRO A 62 -7.174 13.973 -6.009 1.00 0.00 C ATOM 878 CD PRO A 62 -5.854 14.109 -5.303 1.00 0.00 C ATOM 0 HA PRO A 62 -6.559 10.989 -4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.370 12.241 -6.402 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.276 12.677 -4.708 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.049 14.055 -7.089 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.862 14.763 -5.706 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.149 14.707 -5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.965 14.595 -4.334 1.00 0.00 H new ATOM 886 N GLU A 63 -5.329 9.970 -6.668 1.00 0.00 N ATOM 887 CA GLU A 63 -4.978 9.155 -7.825 1.00 0.00 C ATOM 888 C GLU A 63 -4.923 7.677 -7.453 1.00 0.00 C ATOM 889 O GLU A 63 -4.152 6.909 -8.029 1.00 0.00 O ATOM 890 CB GLU A 63 -3.630 9.598 -8.398 1.00 0.00 C ATOM 891 CG GLU A 63 -3.522 11.101 -8.604 1.00 0.00 C ATOM 892 CD GLU A 63 -2.831 11.462 -9.904 1.00 0.00 C ATOM 893 OE1 GLU A 63 -3.162 10.851 -10.942 1.00 0.00 O ATOM 894 OE2 GLU A 63 -1.961 12.358 -9.885 1.00 0.00 O ATOM 0 H GLU A 63 -4.867 9.694 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.750 9.293 -8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.835 9.273 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.467 9.096 -9.352 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.520 11.538 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.973 11.540 -7.771 1.00 0.00 H new ATOM 901 N GLY A 64 -5.745 7.284 -6.485 1.00 0.00 N ATOM 902 CA GLY A 64 -5.774 5.899 -6.052 1.00 0.00 C ATOM 903 C GLY A 64 -7.035 5.180 -6.489 1.00 0.00 C ATOM 904 O GLY A 64 -8.078 5.805 -6.682 1.00 0.00 O ATOM 0 H GLY A 64 -6.392 7.900 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.905 5.378 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.695 5.860 -4.966 1.00 0.00 H new ATOM 908 N LYS A 65 -6.938 3.863 -6.646 1.00 0.00 N ATOM 909 CA LYS A 65 -8.081 3.058 -7.063 1.00 0.00 C ATOM 910 C LYS A 65 -8.671 2.296 -5.880 1.00 0.00 C ATOM 911 O LYS A 65 -9.225 1.210 -6.043 1.00 0.00 O ATOM 912 CB LYS A 65 -7.665 2.078 -8.162 1.00 0.00 C ATOM 913 CG LYS A 65 -7.923 2.595 -9.568 1.00 0.00 C ATOM 914 CD LYS A 65 -6.861 2.112 -10.543 1.00 0.00 C ATOM 915 CE LYS A 65 -7.180 2.538 -11.968 1.00 0.00 C ATOM 916 NZ LYS A 65 -8.431 1.905 -12.474 1.00 0.00 N ATOM 0 H LYS A 65 -6.081 3.332 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.845 3.730 -7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.604 1.855 -8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.204 1.140 -8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.905 2.263 -9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.941 3.685 -9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.889 2.511 -10.252 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.788 1.026 -10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.281 3.623 -12.008 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.349 2.271 -12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.480 2.011 -13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.432 0.894 -12.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.255 2.368 -12.039 1.00 0.00 H new ATOM 930 N ASN A 66 -8.548 2.875 -4.689 1.00 0.00 N ATOM 931 CA ASN A 66 -9.070 2.251 -3.479 1.00 0.00 C ATOM 932 C ASN A 66 -9.432 3.304 -2.437 1.00 0.00 C ATOM 933 O ASN A 66 -9.023 4.461 -2.543 1.00 0.00 O ATOM 934 CB ASN A 66 -8.045 1.274 -2.900 1.00 0.00 C ATOM 935 CG ASN A 66 -8.142 -0.103 -3.527 1.00 0.00 C ATOM 936 OD1 ASN A 66 -9.235 -0.601 -3.794 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.994 -0.728 -3.763 1.00 0.00 N ATOM 0 H ASN A 66 -8.092 3.774 -4.537 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.974 1.702 -3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.041 1.671 -3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.193 1.191 -1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.996 -1.658 -4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.110 -0.278 -3.526 1.00 0.00 H new ATOM 944 N ASN A 67 -10.199 2.897 -1.432 1.00 0.00 N ATOM 945 CA ASN A 67 -10.614 3.805 -0.370 1.00 0.00 C ATOM 946 C ASN A 67 -10.165 3.293 0.994 1.00 0.00 C ATOM 947 O ASN A 67 -10.837 3.509 2.003 1.00 0.00 O ATOM 948 CB ASN A 67 -12.134 3.979 -0.386 1.00 0.00 C ATOM 949 CG ASN A 67 -12.867 2.653 -0.458 1.00 0.00 C ATOM 950 OD1 ASN A 67 -12.911 2.012 -1.509 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.447 2.235 0.661 1.00 0.00 N ATOM 0 H ASN A 67 -10.546 1.943 -1.331 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.141 4.771 -0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.445 4.515 0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.418 4.595 -1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.954 1.350 0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.385 2.799 1.509 1.00 0.00 H new ATOM 958 N GLY A 68 -9.024 2.611 1.018 1.00 0.00 N ATOM 959 CA GLY A 68 -8.503 2.078 2.263 1.00 0.00 C ATOM 960 C GLY A 68 -8.766 0.592 2.413 1.00 0.00 C ATOM 961 O GLY A 68 -8.001 -0.117 3.066 1.00 0.00 O ATOM 0 H GLY A 68 -8.451 2.418 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.430 2.261 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.955 2.610 3.100 1.00 0.00 H new ATOM 965 N SER A 69 -9.851 0.120 1.807 1.00 0.00 N ATOM 966 CA SER A 69 -10.213 -1.290 1.876 1.00 0.00 C ATOM 967 C SER A 69 -10.512 -1.844 0.487 1.00 0.00 C ATOM 968 O SER A 69 -11.144 -1.178 -0.334 1.00 0.00 O ATOM 969 CB SER A 69 -11.426 -1.482 2.788 1.00 0.00 C ATOM 970 OG SER A 69 -12.385 -0.459 2.583 1.00 0.00 O ATOM 0 H SER A 69 -10.495 0.694 1.263 1.00 0.00 H new ATOM 0 HA SER A 69 -9.366 -1.837 2.290 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.880 -2.454 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.105 -1.481 3.830 1.00 0.00 H new ATOM 0 HG SER A 69 -13.151 -0.605 3.176 1.00 0.00 H new ATOM 976 N VAL A 70 -10.056 -3.065 0.231 1.00 0.00 N ATOM 977 CA VAL A 70 -10.276 -3.708 -1.060 1.00 0.00 C ATOM 978 C VAL A 70 -11.304 -4.829 -0.947 1.00 0.00 C ATOM 979 O VAL A 70 -10.985 -5.935 -0.514 1.00 0.00 O ATOM 980 CB VAL A 70 -8.967 -4.283 -1.631 1.00 0.00 C ATOM 981 CG1 VAL A 70 -9.175 -4.771 -3.057 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.857 -3.246 -1.571 1.00 0.00 C ATOM 0 H VAL A 70 -9.532 -3.630 0.900 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.652 -2.940 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.669 -5.135 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.239 -5.174 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.937 -5.550 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.498 -3.939 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.940 -3.671 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.144 -2.372 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.691 -2.951 -0.535 1.00 0.00 H new ATOM 992 N GLY A 71 -12.538 -4.535 -1.341 1.00 0.00 N ATOM 993 CA GLY A 71 -13.594 -5.528 -1.278 1.00 0.00 C ATOM 994 C GLY A 71 -14.094 -5.755 0.135 1.00 0.00 C ATOM 995 O GLY A 71 -14.734 -4.882 0.722 1.00 0.00 O ATOM 0 H GLY A 71 -12.826 -3.626 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.425 -5.210 -1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.227 -6.470 -1.686 1.00 0.00 H new ATOM 999 N ARG A 72 -13.800 -6.929 0.683 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.226 -7.270 2.035 1.00 0.00 C ATOM 1001 C ARG A 72 -13.032 -7.324 2.984 1.00 0.00 C ATOM 1002 O ARG A 72 -13.035 -8.077 3.958 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.958 -8.613 2.039 1.00 0.00 C ATOM 1004 CG ARG A 72 -16.402 -8.517 1.575 1.00 0.00 C ATOM 1005 CD ARG A 72 -16.805 -9.724 0.742 1.00 0.00 C ATOM 1006 NE ARG A 72 -16.236 -9.676 -0.605 1.00 0.00 N ATOM 1007 CZ ARG A 72 -15.135 -10.330 -0.977 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -14.468 -11.082 -0.109 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -14.697 -10.230 -2.224 1.00 0.00 N ATOM 0 H ARG A 72 -13.268 -7.661 0.211 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.907 -6.493 2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.423 -9.311 1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.935 -9.027 3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.058 -8.437 2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.536 -7.608 0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.477 -10.635 1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.892 -9.771 0.675 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.712 -9.106 -1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.797 -11.164 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.627 -11.578 -0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.202 -9.654 -2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.855 -10.729 -2.510 1.00 0.00 H new ATOM 1023 N VAL A 73 -12.013 -6.523 2.693 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.813 -6.480 3.521 1.00 0.00 C ATOM 1025 C VAL A 73 -10.251 -5.064 3.602 1.00 0.00 C ATOM 1026 O VAL A 73 -10.083 -4.393 2.584 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.722 -7.422 2.978 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.562 -7.517 3.957 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -10.300 -8.799 2.690 1.00 0.00 C ATOM 0 H VAL A 73 -11.994 -5.894 1.890 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.105 -6.810 4.518 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.345 -7.009 2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.801 -8.187 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.131 -6.527 4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.921 -7.905 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.514 -9.451 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.707 -9.222 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.093 -8.713 1.948 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.964 -4.617 4.820 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.421 -3.280 5.035 1.00 0.00 C ATOM 1041 C GLN A 74 -7.992 -3.350 5.565 1.00 0.00 C ATOM 1042 O GLN A 74 -7.582 -4.360 6.139 1.00 0.00 O ATOM 1043 CB GLN A 74 -10.302 -2.501 6.013 1.00 0.00 C ATOM 1044 CG GLN A 74 -10.015 -1.008 6.034 1.00 0.00 C ATOM 1045 CD GLN A 74 -9.019 -0.622 7.110 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -8.308 0.477 6.890 1.00 0.00 O flip ATOM 1047 NE2 GLN A 74 -8.891 -1.303 8.127 1.00 0.00 N flip ATOM 0 H GLN A 74 -10.098 -5.160 5.673 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.408 -2.762 4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.348 -2.658 5.751 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.161 -2.904 7.016 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.630 -0.702 5.061 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.946 -0.465 6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.459 -2.141 8.255 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.217 -1.030 8.842 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.240 -2.273 5.369 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.856 -2.213 5.828 1.00 0.00 C ATOM 1058 C TYR A 75 -5.573 -0.892 6.535 1.00 0.00 C ATOM 1059 O TYR A 75 -5.339 -0.860 7.743 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.899 -2.390 4.649 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.137 -3.657 3.859 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.240 -3.782 3.025 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.256 -4.729 3.947 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.461 -4.940 2.302 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.470 -5.889 3.227 1.00 0.00 C ATOM 1066 CZ TYR A 75 -5.573 -5.989 2.406 1.00 0.00 C ATOM 1067 OH TYR A 75 -5.790 -7.142 1.688 1.00 0.00 O ATOM 0 H TYR A 75 -7.564 -1.430 4.896 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.700 -3.024 6.539 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.995 -1.533 3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.874 -2.391 5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.937 -2.961 2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.390 -4.654 4.588 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.325 -5.022 1.659 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.777 -6.713 3.307 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.956 -6.916 0.749 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.597 0.197 5.774 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.343 1.523 6.328 1.00 0.00 C ATOM 1079 C PHE A 76 -6.457 2.493 5.949 1.00 0.00 C ATOM 1080 O PHE A 76 -7.033 2.401 4.865 1.00 0.00 O ATOM 1081 CB PHE A 76 -3.996 2.056 5.833 1.00 0.00 C ATOM 1082 CG PHE A 76 -3.929 2.229 4.344 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.524 1.183 3.530 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.271 3.436 3.757 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.461 1.338 2.159 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.209 3.597 2.386 1.00 0.00 C ATOM 1087 CZ PHE A 76 -3.803 2.546 1.585 1.00 0.00 C ATOM 0 H PHE A 76 -5.790 0.188 4.772 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.315 1.437 7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.796 3.015 6.311 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.207 1.373 6.147 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.254 0.236 3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.590 4.260 4.378 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.144 0.514 1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.478 4.543 1.940 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.754 2.670 0.513 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.756 3.424 6.851 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.801 4.412 6.611 1.00 0.00 C ATOM 1099 C LYS A 77 -7.304 5.518 5.686 1.00 0.00 C ATOM 1100 O LYS A 77 -6.196 6.029 5.850 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.274 5.015 7.935 1.00 0.00 C ATOM 1102 CG LYS A 77 -9.399 4.233 8.593 1.00 0.00 C ATOM 1103 CD LYS A 77 -8.881 2.974 9.271 1.00 0.00 C ATOM 1104 CE LYS A 77 -9.995 2.225 9.986 1.00 0.00 C ATOM 1105 NZ LYS A 77 -9.808 2.228 11.463 1.00 0.00 N ATOM 0 H LYS A 77 -6.289 3.514 7.754 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.638 3.908 6.128 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.430 5.068 8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.608 6.038 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.900 4.863 9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.143 3.964 7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.422 2.322 8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.102 3.239 9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.954 2.681 9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.030 1.197 9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.588 1.707 11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.905 1.770 11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.801 3.208 11.810 1.00 0.00 H new ATOM 1119 N CYS A 78 -8.131 5.882 4.710 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.774 6.927 3.757 1.00 0.00 C ATOM 1121 C CYS A 78 -9.001 7.397 2.981 1.00 0.00 C ATOM 1122 O CYS A 78 -9.985 6.670 2.856 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.706 6.420 2.788 1.00 0.00 C ATOM 1124 SG CYS A 78 -7.229 5.009 1.786 1.00 0.00 S ATOM 0 H CYS A 78 -9.051 5.469 4.559 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.374 7.773 4.316 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.416 7.235 2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.819 6.140 3.356 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.272 4.131 1.740 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.934 8.619 2.461 1.00 0.00 N ATOM 1131 CA ALA A 79 -10.038 9.186 1.697 1.00 0.00 C ATOM 1132 C ALA A 79 -10.263 8.416 0.398 1.00 0.00 C ATOM 1133 O ALA A 79 -9.381 7.692 -0.065 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.775 10.656 1.403 1.00 0.00 C ATOM 0 H ALA A 79 -8.126 9.235 2.555 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.943 9.102 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.607 11.067 0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.673 11.202 2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.856 10.753 0.825 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.453 8.560 -0.208 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.793 7.873 -1.459 1.00 0.00 C ATOM 1142 C PRO A 80 -10.869 8.269 -2.607 1.00 0.00 C ATOM 1143 O PRO A 80 -10.558 9.446 -2.789 1.00 0.00 O ATOM 1144 CB PRO A 80 -13.229 8.330 -1.752 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.749 8.836 -0.450 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.562 9.398 0.276 1.00 0.00 C ATOM 0 HA PRO A 80 -11.690 6.792 -1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.247 9.110 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.837 7.506 -2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -14.511 9.600 -0.604 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.214 8.034 0.123 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.406 10.451 0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.679 9.328 1.357 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.436 7.277 -3.379 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.549 7.522 -4.512 1.00 0.00 C ATOM 1156 C LYS A 81 -8.231 8.138 -4.055 1.00 0.00 C ATOM 1157 O LYS A 81 -7.783 9.149 -4.598 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.232 8.438 -5.530 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.641 8.001 -5.893 1.00 0.00 C ATOM 1160 CD LYS A 81 -12.385 9.090 -6.652 1.00 0.00 C ATOM 1161 CE LYS A 81 -12.102 9.022 -8.144 1.00 0.00 C ATOM 1162 NZ LYS A 81 -13.248 8.445 -8.901 1.00 0.00 N ATOM 0 H LYS A 81 -10.684 6.297 -3.241 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.331 6.564 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.267 9.451 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.627 8.475 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.597 7.097 -6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.190 7.749 -4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.456 8.989 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.091 10.067 -6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.886 10.023 -8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.211 8.418 -8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.015 8.416 -9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.438 7.481 -8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.092 9.035 -8.756 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.611 7.523 -3.053 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.341 8.009 -2.524 1.00 0.00 C ATOM 1178 C TYR A 82 -5.419 6.847 -2.171 1.00 0.00 C ATOM 1179 O TYR A 82 -4.243 6.844 -2.530 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.577 8.881 -1.289 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.870 10.329 -1.616 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.845 11.210 -1.934 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -8.172 10.813 -1.603 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -6.109 12.534 -2.232 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.444 12.135 -1.899 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.409 12.991 -2.213 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.676 14.308 -2.508 1.00 0.00 O ATOM 0 H TYR A 82 -7.967 6.687 -2.591 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.861 8.609 -3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.410 8.470 -0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.697 8.833 -0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.825 10.855 -1.949 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.985 10.145 -1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.301 13.207 -2.478 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.462 12.496 -1.885 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.641 14.467 -2.451 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.963 5.862 -1.464 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.176 4.706 -1.074 1.00 0.00 C ATOM 1199 C GLY A 83 -4.906 3.770 -2.235 1.00 0.00 C ATOM 1200 O GLY A 83 -5.789 3.514 -3.053 1.00 0.00 O ATOM 0 H GLY A 83 -6.935 5.843 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.228 5.041 -0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.699 4.163 -0.287 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.681 3.258 -2.308 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.298 2.346 -3.378 1.00 0.00 C ATOM 1206 C ILE A 84 -2.247 1.348 -2.898 1.00 0.00 C ATOM 1207 O ILE A 84 -1.430 1.661 -2.032 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.751 3.112 -4.600 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.453 2.146 -5.748 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.504 3.898 -4.222 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.694 2.742 -7.118 1.00 0.00 C ATOM 0 H ILE A 84 -2.938 3.460 -1.639 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.197 1.806 -3.674 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.512 3.817 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.414 1.822 -5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.072 1.256 -5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.132 4.432 -5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.749 4.613 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.737 3.212 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.462 2.001 -7.883 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.739 3.040 -7.206 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.055 3.615 -7.253 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.277 0.147 -3.465 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.329 -0.897 -3.094 1.00 0.00 C ATOM 1225 C PHE A 85 -0.458 -1.289 -4.284 1.00 0.00 C ATOM 1226 O PHE A 85 -0.935 -1.374 -5.415 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.070 -2.126 -2.565 1.00 0.00 C ATOM 1228 CG PHE A 85 -2.995 -1.821 -1.420 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.191 -1.156 -1.637 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -2.667 -2.200 -0.129 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -5.043 -0.874 -0.587 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.516 -1.921 0.926 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.705 -1.257 0.697 1.00 0.00 C ATOM 0 H PHE A 85 -2.947 -0.128 -4.183 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.685 -0.504 -2.308 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.644 -2.572 -3.377 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.341 -2.870 -2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.460 -0.855 -2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.738 -2.719 0.056 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.972 -0.355 -0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.250 -2.222 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.369 -1.037 1.520 1.00 0.00 H new ATOM 1243 N ALA A 86 0.823 -1.527 -4.019 1.00 0.00 N ATOM 1244 CA ALA A 86 1.762 -1.911 -5.065 1.00 0.00 C ATOM 1245 C ALA A 86 2.759 -2.947 -4.553 1.00 0.00 C ATOM 1246 O ALA A 86 2.984 -3.060 -3.349 1.00 0.00 O ATOM 1247 CB ALA A 86 2.495 -0.687 -5.592 1.00 0.00 C ATOM 0 H ALA A 86 1.234 -1.460 -3.088 1.00 0.00 H new ATOM 0 HA ALA A 86 1.196 -2.361 -5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.193 -0.989 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.774 0.020 -6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.044 -0.213 -4.778 1.00 0.00 H new ATOM 1253 N PRO A 87 3.373 -3.721 -5.465 1.00 0.00 N ATOM 1254 CA PRO A 87 4.349 -4.751 -5.096 1.00 0.00 C ATOM 1255 C PRO A 87 5.505 -4.184 -4.278 1.00 0.00 C ATOM 1256 O PRO A 87 6.216 -3.290 -4.729 1.00 0.00 O ATOM 1257 CB PRO A 87 4.853 -5.274 -6.445 1.00 0.00 C ATOM 1258 CG PRO A 87 3.777 -4.933 -7.417 1.00 0.00 C ATOM 1259 CD PRO A 87 3.163 -3.654 -6.922 1.00 0.00 C ATOM 0 HA PRO A 87 3.905 -5.523 -4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.798 -4.806 -6.722 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.028 -6.349 -6.411 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.183 -4.808 -8.421 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.033 -5.728 -7.471 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.646 -2.780 -7.359 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.104 -3.592 -7.174 1.00 0.00 H new ATOM 1267 N LEU A 88 5.678 -4.709 -3.065 1.00 0.00 N ATOM 1268 CA LEU A 88 6.747 -4.256 -2.181 1.00 0.00 C ATOM 1269 C LEU A 88 8.062 -4.195 -2.939 1.00 0.00 C ATOM 1270 O LEU A 88 8.792 -3.206 -2.872 1.00 0.00 O ATOM 1271 CB LEU A 88 6.877 -5.192 -0.977 1.00 0.00 C ATOM 1272 CG LEU A 88 7.460 -4.550 0.282 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.498 -3.520 0.852 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.781 -5.615 1.321 1.00 0.00 C ATOM 0 H LEU A 88 5.092 -5.447 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 88 6.500 -3.257 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.891 -5.592 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.505 -6.037 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 88 8.385 -4.041 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.931 -3.074 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.317 -2.742 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.555 -4.004 1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.195 -5.142 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.870 -6.151 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.508 -6.316 0.911 1.00 0.00 H new ATOM 1286 N SER A 89 8.343 -5.260 -3.683 1.00 0.00 N ATOM 1287 CA SER A 89 9.555 -5.331 -4.484 1.00 0.00 C ATOM 1288 C SER A 89 9.630 -4.129 -5.416 1.00 0.00 C ATOM 1289 O SER A 89 10.714 -3.715 -5.829 1.00 0.00 O ATOM 1290 CB SER A 89 9.585 -6.628 -5.296 1.00 0.00 C ATOM 1291 OG SER A 89 10.900 -7.151 -5.375 1.00 0.00 O ATOM 0 H SER A 89 7.746 -6.085 -3.746 1.00 0.00 H new ATOM 0 HA SER A 89 10.417 -5.321 -3.817 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.925 -7.364 -4.836 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.204 -6.441 -6.300 1.00 0.00 H new ATOM 0 HG SER A 89 10.891 -7.980 -5.897 1.00 0.00 H new ATOM 1297 N LYS A 90 8.466 -3.560 -5.728 1.00 0.00 N ATOM 1298 CA LYS A 90 8.399 -2.392 -6.595 1.00 0.00 C ATOM 1299 C LYS A 90 8.442 -1.107 -5.769 1.00 0.00 C ATOM 1300 O LYS A 90 8.673 -0.023 -6.306 1.00 0.00 O ATOM 1301 CB LYS A 90 7.127 -2.424 -7.445 1.00 0.00 C ATOM 1302 CG LYS A 90 7.292 -3.177 -8.756 1.00 0.00 C ATOM 1303 CD LYS A 90 7.047 -2.275 -9.955 1.00 0.00 C ATOM 1304 CE LYS A 90 6.740 -3.083 -11.206 1.00 0.00 C ATOM 1305 NZ LYS A 90 5.288 -3.393 -11.324 1.00 0.00 N ATOM 0 H LYS A 90 7.561 -3.890 -5.393 1.00 0.00 H new ATOM 0 HA LYS A 90 9.264 -2.412 -7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.326 -2.886 -6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.817 -1.401 -7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.298 -3.593 -8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.597 -4.017 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.216 -1.602 -9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.925 -1.652 -10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.065 -2.528 -12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.309 -4.012 -11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.120 -3.945 -12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.982 -3.945 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.746 -2.506 -11.368 1.00 0.00 H new ATOM 1319 N ILE A 91 8.222 -1.234 -4.460 1.00 0.00 N ATOM 1320 CA ILE A 91 8.240 -0.078 -3.572 1.00 0.00 C ATOM 1321 C ILE A 91 9.664 0.248 -3.129 1.00 0.00 C ATOM 1322 O ILE A 91 10.424 -0.641 -2.747 1.00 0.00 O ATOM 1323 CB ILE A 91 7.363 -0.311 -2.323 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.947 -0.717 -2.735 1.00 0.00 C ATOM 1325 CG2 ILE A 91 7.328 0.938 -1.456 1.00 0.00 C ATOM 1326 CD1 ILE A 91 5.273 0.280 -3.654 1.00 0.00 C ATOM 0 H ILE A 91 8.031 -2.122 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 91 7.835 0.762 -4.136 1.00 0.00 H new ATOM 0 HB ILE A 91 7.800 -1.122 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.986 -1.687 -3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.339 -0.841 -1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.705 0.756 -0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.340 1.187 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.914 1.767 -2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.273 -0.074 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.201 1.246 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.859 0.387 -4.567 1.00 0.00 H new ATOM 1338 N SER A 92 10.016 1.528 -3.183 1.00 0.00 N ATOM 1339 CA SER A 92 11.347 1.972 -2.788 1.00 0.00 C ATOM 1340 C SER A 92 11.269 3.228 -1.925 1.00 0.00 C ATOM 1341 O SER A 92 10.210 3.843 -1.801 1.00 0.00 O ATOM 1342 CB SER A 92 12.206 2.242 -4.025 1.00 0.00 C ATOM 1343 OG SER A 92 12.312 1.084 -4.835 1.00 0.00 O ATOM 0 H SER A 92 9.398 2.276 -3.497 1.00 0.00 H new ATOM 0 HA SER A 92 11.807 1.178 -2.201 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.770 3.056 -4.604 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.200 2.567 -3.718 1.00 0.00 H new ATOM 0 HG SER A 92 12.864 1.283 -5.620 1.00 0.00 H new ATOM 1349 N LYS A 93 12.398 3.603 -1.331 1.00 0.00 N ATOM 1350 CA LYS A 93 12.456 4.786 -0.480 1.00 0.00 C ATOM 1351 C LYS A 93 12.512 6.058 -1.320 1.00 0.00 C ATOM 1352 O LYS A 93 13.037 6.056 -2.434 1.00 0.00 O ATOM 1353 CB LYS A 93 13.674 4.716 0.443 1.00 0.00 C ATOM 1354 CG LYS A 93 13.443 5.356 1.802 1.00 0.00 C ATOM 1355 CD LYS A 93 14.144 6.701 1.913 1.00 0.00 C ATOM 1356 CE LYS A 93 14.002 7.290 3.308 1.00 0.00 C ATOM 1357 NZ LYS A 93 15.012 6.733 4.251 1.00 0.00 N ATOM 0 H LYS A 93 13.284 3.105 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 93 11.550 4.812 0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.953 3.672 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.517 5.208 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.373 5.488 1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.806 4.690 2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.201 6.583 1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.726 7.392 1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.111 8.373 3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.000 7.088 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.882 7.159 5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.892 5.702 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.968 6.948 3.903 1.00 0.00 H new ATOM 1371 N LEU A 94 11.969 7.142 -0.779 1.00 0.00 N ATOM 1372 CA LEU A 94 11.957 8.421 -1.478 1.00 0.00 C ATOM 1373 C LEU A 94 13.287 9.149 -1.306 1.00 0.00 C ATOM 1374 O LEU A 94 13.901 9.097 -0.240 1.00 0.00 O ATOM 1375 CB LEU A 94 10.814 9.298 -0.963 1.00 0.00 C ATOM 1376 CG LEU A 94 10.695 10.668 -1.634 1.00 0.00 C ATOM 1377 CD1 LEU A 94 9.749 10.598 -2.824 1.00 0.00 C ATOM 1378 CD2 LEU A 94 10.220 11.711 -0.634 1.00 0.00 C ATOM 0 H LEU A 94 11.531 7.161 0.142 1.00 0.00 H new ATOM 0 HA LEU A 94 11.805 8.224 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.875 8.761 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.944 9.446 0.109 1.00 0.00 H new ATOM 0 HG LEU A 94 11.680 10.962 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.676 11.581 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.130 9.880 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.762 10.283 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.141 12.679 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.244 11.422 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.934 11.780 0.187 1.00 0.00 H new ATOM 1390 N LYS A 95 13.726 9.826 -2.362 1.00 0.00 N ATOM 1391 CA LYS A 95 14.982 10.564 -2.328 1.00 0.00 C ATOM 1392 C LYS A 95 15.059 11.561 -3.479 1.00 0.00 C ATOM 1393 O LYS A 95 15.713 11.308 -4.491 1.00 0.00 O ATOM 1394 CB LYS A 95 16.168 9.598 -2.395 1.00 0.00 C ATOM 1395 CG LYS A 95 17.425 10.132 -1.730 1.00 0.00 C ATOM 1396 CD LYS A 95 18.514 9.074 -1.665 1.00 0.00 C ATOM 1397 CE LYS A 95 19.427 9.287 -0.468 1.00 0.00 C ATOM 1398 NZ LYS A 95 20.569 10.185 -0.795 1.00 0.00 N ATOM 0 H LYS A 95 13.230 9.878 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 95 15.024 11.116 -1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.887 8.658 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.386 9.375 -3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.790 10.998 -2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.188 10.474 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 95 18.059 8.085 -1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 95 19.103 9.099 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 95 18.854 9.714 0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 95 19.808 8.325 -0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 21.168 10.305 0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 21.131 9.766 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 20.206 11.112 -1.097 1.00 0.00 H new ATOM 1412 N ASP A 96 14.386 12.695 -3.318 1.00 0.00 N ATOM 1413 CA ASP A 96 14.376 13.731 -4.345 1.00 0.00 C ATOM 1414 C ASP A 96 15.597 14.635 -4.216 1.00 0.00 C ATOM 1415 O ASP A 96 15.557 15.654 -3.525 1.00 0.00 O ATOM 1416 CB ASP A 96 13.098 14.564 -4.247 1.00 0.00 C ATOM 1417 CG ASP A 96 12.581 14.994 -5.606 1.00 0.00 C ATOM 1418 OD1 ASP A 96 13.321 15.697 -6.327 1.00 0.00 O ATOM 1419 OD2 ASP A 96 11.438 14.628 -5.950 1.00 0.00 O ATOM 0 H ASP A 96 13.840 12.920 -2.486 1.00 0.00 H new ATOM 0 HA ASP A 96 14.408 13.243 -5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.329 13.985 -3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.290 15.448 -3.638 1.00 0.00 H new ATOM 1424 N SER A 97 16.682 14.256 -4.884 1.00 0.00 N ATOM 1425 CA SER A 97 17.915 15.033 -4.843 1.00 0.00 C ATOM 1426 C SER A 97 18.286 15.539 -6.234 1.00 0.00 C ATOM 1427 O SER A 97 18.702 14.766 -7.097 1.00 0.00 O ATOM 1428 CB SER A 97 19.057 14.188 -4.276 1.00 0.00 C ATOM 1429 OG SER A 97 18.881 13.960 -2.888 1.00 0.00 O ATOM 0 H SER A 97 16.732 13.416 -5.460 1.00 0.00 H new ATOM 0 HA SER A 97 17.751 15.893 -4.194 1.00 0.00 H new ATOM 0 HB2 SER A 97 19.104 13.234 -4.802 1.00 0.00 H new ATOM 0 HB3 SER A 97 20.008 14.693 -4.447 1.00 0.00 H new ATOM 0 HG SER A 97 19.623 13.416 -2.549 1.00 0.00 H new ATOM 1435 N GLY A 98 18.132 16.843 -6.445 1.00 0.00 N ATOM 1436 CA GLY A 98 18.456 17.429 -7.731 1.00 0.00 C ATOM 1437 C GLY A 98 17.447 18.478 -8.163 1.00 0.00 C ATOM 1438 O GLY A 98 16.522 18.177 -8.918 1.00 0.00 O ATOM 0 H GLY A 98 17.789 17.503 -5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.447 17.881 -7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 98 18.502 16.642 -8.484 1.00 0.00 H new ATOM 1442 N PRO A 99 17.598 19.728 -7.695 1.00 0.00 N ATOM 1443 CA PRO A 99 16.684 20.819 -8.046 1.00 0.00 C ATOM 1444 C PRO A 99 16.495 20.955 -9.554 1.00 0.00 C ATOM 1445 O PRO A 99 17.319 20.481 -10.337 1.00 0.00 O ATOM 1446 CB PRO A 99 17.376 22.062 -7.481 1.00 0.00 C ATOM 1447 CG PRO A 99 18.224 21.549 -6.369 1.00 0.00 C ATOM 1448 CD PRO A 99 18.673 20.177 -6.789 1.00 0.00 C ATOM 0 HA PRO A 99 15.683 20.654 -7.647 1.00 0.00 H new ATOM 0 HB2 PRO A 99 17.978 22.560 -8.241 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.650 22.791 -7.122 1.00 0.00 H new ATOM 0 HG2 PRO A 99 19.079 22.203 -6.196 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.661 21.507 -5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.638 20.207 -7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.782 19.510 -5.933 1.00 0.00 H new ATOM 1456 N SER A 100 15.407 21.603 -9.953 1.00 0.00 N ATOM 1457 CA SER A 100 15.111 21.800 -11.367 1.00 0.00 C ATOM 1458 C SER A 100 14.963 20.461 -12.084 1.00 0.00 C ATOM 1459 O SER A 100 15.852 20.041 -12.827 1.00 0.00 O ATOM 1460 CB SER A 100 16.213 22.629 -12.030 1.00 0.00 C ATOM 1461 OG SER A 100 15.880 24.007 -12.037 1.00 0.00 O ATOM 0 H SER A 100 14.715 22.001 -9.318 1.00 0.00 H new ATOM 0 HA SER A 100 14.166 22.338 -11.443 1.00 0.00 H new ATOM 0 HB2 SER A 100 17.153 22.481 -11.498 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.367 22.284 -13.052 1.00 0.00 H new ATOM 0 HG SER A 100 16.601 24.516 -12.464 1.00 0.00 H new ATOM 1467 N SER A 101 13.837 19.794 -11.856 1.00 0.00 N ATOM 1468 CA SER A 101 13.573 18.502 -12.479 1.00 0.00 C ATOM 1469 C SER A 101 12.095 18.359 -12.829 1.00 0.00 C ATOM 1470 O SER A 101 11.234 18.971 -12.195 1.00 0.00 O ATOM 1471 CB SER A 101 14.004 17.367 -11.548 1.00 0.00 C ATOM 1472 OG SER A 101 15.256 16.833 -11.942 1.00 0.00 O ATOM 0 H SER A 101 13.092 20.127 -11.244 1.00 0.00 H new ATOM 0 HA SER A 101 14.152 18.445 -13.401 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.068 17.736 -10.524 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.250 16.580 -11.556 1.00 0.00 H new ATOM 0 HG SER A 101 15.510 16.111 -11.331 1.00 0.00 H new ATOM 1478 N GLY A 102 11.807 17.549 -13.842 1.00 0.00 N ATOM 1479 CA GLY A 102 10.433 17.339 -14.258 1.00 0.00 C ATOM 1480 C GLY A 102 10.324 16.919 -15.710 1.00 0.00 C ATOM 1481 O GLY A 102 9.229 17.075 -16.292 1.00 0.00 O ATOM 1482 OXT GLY A 102 11.332 16.434 -16.265 1.00 0.00 O ATOM 0 H GLY A 102 12.501 17.034 -14.383 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.978 16.575 -13.627 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.866 18.257 -14.105 1.00 0.00 H new TER 1486 GLY A 102