USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 674 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 CYS SG : rot 180:sc= 0.00131 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 81 THR OG1 : rot -77:sc= -0.917 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.00613 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.256 K(o=-0.26,f=-0.83) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.305 K(o=-0.3,f=-2.5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.27 K(o=-0.27,f=-1.6!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= -0.25 (180deg=-1.4!) USER MOD Single : A 42 MET CE :methyl -179:sc= 0 (180deg=-0.00267) USER MOD Single : A 47 GLN : amide:sc= -0.375 X(o=-0.37,f=-0.0094) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.114 K(o=0.11,f=-1.9) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.36) USER MOD Single : A 63 SER OG : rot -72:sc= -0.582 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 65 HIS : no HE2:sc= -3.01 K(o=-3,f=-6.6!) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.659 (180deg=-1.18) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.422 19.047 4.050 1.00 0.00 N ATOM 2 CA GLY A 1 10.155 18.621 2.826 1.00 0.00 C ATOM 3 C GLY A 1 9.858 19.509 1.633 1.00 0.00 C ATOM 4 O GLY A 1 8.730 19.966 1.457 1.00 0.00 O ATOM 0 H1 GLY A 1 9.082 18.207 4.561 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.060 19.591 4.665 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.612 19.640 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.227 18.632 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.887 17.592 2.585 1.00 0.00 H new ATOM 10 N SER A 2 10.875 19.751 0.813 1.00 0.00 N ATOM 11 CA SER A 2 10.720 20.590 -0.372 1.00 0.00 C ATOM 12 C SER A 2 11.258 19.884 -1.612 1.00 0.00 C ATOM 13 O SER A 2 10.508 19.578 -2.539 1.00 0.00 O ATOM 14 CB SER A 2 11.444 21.924 -0.175 1.00 0.00 C ATOM 15 OG SER A 2 10.787 22.724 0.792 1.00 0.00 O ATOM 0 H SER A 2 11.815 19.379 0.946 1.00 0.00 H new ATOM 0 HA SER A 2 9.656 20.779 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.472 21.740 0.138 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.490 22.459 -1.123 1.00 0.00 H new ATOM 0 HG SER A 2 11.270 23.570 0.900 1.00 0.00 H new ATOM 21 N HIS A 3 12.562 19.628 -1.622 1.00 0.00 N ATOM 22 CA HIS A 3 13.201 18.959 -2.749 1.00 0.00 C ATOM 23 C HIS A 3 13.184 17.445 -2.565 1.00 0.00 C ATOM 24 O HIS A 3 12.887 16.945 -1.481 1.00 0.00 O ATOM 25 CB HIS A 3 14.643 19.447 -2.908 1.00 0.00 C ATOM 26 CG HIS A 3 14.767 20.682 -3.744 1.00 0.00 C ATOM 27 ND1 HIS A 3 15.455 20.717 -4.938 1.00 0.00 N ATOM 28 CD2 HIS A 3 14.284 21.933 -3.555 1.00 0.00 C ATOM 29 CE1 HIS A 3 15.392 21.935 -5.447 1.00 0.00 C ATOM 30 NE2 HIS A 3 14.688 22.692 -4.625 1.00 0.00 N ATOM 0 H HIS A 3 13.197 19.874 -0.862 1.00 0.00 H new ATOM 0 HA HIS A 3 12.639 19.204 -3.650 1.00 0.00 H new ATOM 0 HB2 HIS A 3 15.063 19.642 -1.921 1.00 0.00 H new ATOM 0 HB3 HIS A 3 15.239 18.653 -3.357 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.691 22.271 -2.718 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.840 22.256 -6.376 1.00 0.00 H new ATOM 0 HE2 HIS A 3 14.478 23.681 -4.763 1.00 0.00 H new ATOM 39 N MET A 4 13.504 16.721 -3.633 1.00 0.00 N ATOM 40 CA MET A 4 13.525 15.263 -3.591 1.00 0.00 C ATOM 41 C MET A 4 12.143 14.707 -3.268 1.00 0.00 C ATOM 42 O MET A 4 11.332 15.368 -2.619 1.00 0.00 O ATOM 43 CB MET A 4 14.539 14.776 -2.554 1.00 0.00 C ATOM 44 CG MET A 4 14.953 13.326 -2.741 1.00 0.00 C ATOM 45 SD MET A 4 15.973 12.714 -1.387 1.00 0.00 S ATOM 46 CE MET A 4 17.517 12.402 -2.240 1.00 0.00 C ATOM 0 H MET A 4 13.752 17.120 -4.538 1.00 0.00 H new ATOM 0 HA MET A 4 13.820 14.901 -4.576 1.00 0.00 H new ATOM 0 HB2 MET A 4 15.426 15.407 -2.602 1.00 0.00 H new ATOM 0 HB3 MET A 4 14.114 14.898 -1.558 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.061 12.706 -2.827 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.502 13.227 -3.677 1.00 0.00 H new ATOM 0 HE1 MET A 4 18.252 12.018 -1.533 1.00 0.00 H new ATOM 0 HE2 MET A 4 17.355 11.668 -3.029 1.00 0.00 H new ATOM 0 HE3 MET A 4 17.885 13.330 -2.678 1.00 0.00 H new ATOM 56 N GLY A 5 11.879 13.488 -3.727 1.00 0.00 N ATOM 57 CA GLY A 5 10.593 12.864 -3.477 1.00 0.00 C ATOM 58 C GLY A 5 9.664 12.949 -4.671 1.00 0.00 C ATOM 59 O GLY A 5 8.655 13.654 -4.632 1.00 0.00 O ATOM 0 H GLY A 5 12.533 12.921 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.746 11.817 -3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.121 13.343 -2.619 1.00 0.00 H new ATOM 63 N LEU A 6 10.004 12.231 -5.736 1.00 0.00 N ATOM 64 CA LEU A 6 9.193 12.228 -6.948 1.00 0.00 C ATOM 65 C LEU A 6 9.156 10.838 -7.574 1.00 0.00 C ATOM 66 O LEU A 6 9.142 10.697 -8.797 1.00 0.00 O ATOM 67 CB LEU A 6 9.740 13.241 -7.957 1.00 0.00 C ATOM 68 CG LEU A 6 8.770 13.629 -9.074 1.00 0.00 C ATOM 69 CD1 LEU A 6 7.895 14.795 -8.639 1.00 0.00 C ATOM 70 CD2 LEU A 6 9.532 13.979 -10.344 1.00 0.00 C ATOM 0 H LEU A 6 10.836 11.643 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 6 8.176 12.511 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.033 14.144 -7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.644 12.831 -8.407 1.00 0.00 H new ATOM 0 HG LEU A 6 8.126 12.775 -9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.211 15.058 -9.446 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.322 14.511 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.524 15.653 -8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.826 14.253 -11.128 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.200 14.818 -10.148 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.117 13.118 -10.667 1.00 0.00 H new ATOM 82 N VAL A 7 9.143 9.814 -6.726 1.00 0.00 N ATOM 83 CA VAL A 7 9.109 8.434 -7.195 1.00 0.00 C ATOM 84 C VAL A 7 7.747 7.799 -6.935 1.00 0.00 C ATOM 85 O VAL A 7 7.366 7.570 -5.787 1.00 0.00 O ATOM 86 CB VAL A 7 10.197 7.583 -6.512 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.268 6.200 -7.143 1.00 0.00 C ATOM 88 CG2 VAL A 7 11.546 8.280 -6.588 1.00 0.00 C ATOM 0 H VAL A 7 9.156 9.914 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 7 9.297 8.459 -8.268 1.00 0.00 H new ATOM 0 HB VAL A 7 9.933 7.465 -5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.042 5.613 -6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.306 5.699 -7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.507 6.295 -8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.302 7.664 -6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.819 8.431 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.486 9.245 -6.086 1.00 0.00 H new ATOM 98 N GLN A 8 7.018 7.514 -8.009 1.00 0.00 N ATOM 99 CA GLN A 8 5.698 6.903 -7.897 1.00 0.00 C ATOM 100 C GLN A 8 5.781 5.393 -8.101 1.00 0.00 C ATOM 101 O GLN A 8 6.496 4.915 -8.980 1.00 0.00 O ATOM 102 CB GLN A 8 4.740 7.516 -8.921 1.00 0.00 C ATOM 103 CG GLN A 8 3.327 7.707 -8.395 1.00 0.00 C ATOM 104 CD GLN A 8 2.491 8.604 -9.287 1.00 0.00 C ATOM 105 OE1 GLN A 8 1.930 8.157 -10.286 1.00 0.00 O ATOM 106 NE2 GLN A 8 2.402 9.878 -8.926 1.00 0.00 N ATOM 0 H GLN A 8 7.319 7.696 -8.967 1.00 0.00 H new ATOM 0 HA GLN A 8 5.318 7.097 -6.894 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.133 8.481 -9.241 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.707 6.877 -9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.842 6.735 -8.306 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.370 8.135 -7.393 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.884 10.206 -8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.851 10.529 -9.485 1.00 0.00 H new ATOM 115 N ARG A 9 5.045 4.649 -7.281 1.00 0.00 N ATOM 116 CA ARG A 9 5.038 3.194 -7.372 1.00 0.00 C ATOM 117 C ARG A 9 3.638 2.638 -7.131 1.00 0.00 C ATOM 118 O ARG A 9 2.914 3.111 -6.254 1.00 0.00 O ATOM 119 CB ARG A 9 6.018 2.594 -6.362 1.00 0.00 C ATOM 120 CG ARG A 9 6.663 1.301 -6.834 1.00 0.00 C ATOM 121 CD ARG A 9 8.062 1.135 -6.261 1.00 0.00 C ATOM 122 NE ARG A 9 8.987 0.557 -7.234 1.00 0.00 N ATOM 123 CZ ARG A 9 10.312 0.632 -7.132 1.00 0.00 C ATOM 124 NH1 ARG A 9 10.870 1.253 -6.100 1.00 0.00 N ATOM 125 NH2 ARG A 9 11.079 0.080 -8.060 1.00 0.00 N ATOM 0 H ARG A 9 4.447 5.029 -6.547 1.00 0.00 H new ATOM 0 HA ARG A 9 5.350 2.918 -8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.799 3.323 -6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.493 2.407 -5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.044 0.455 -6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.711 1.294 -7.923 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.438 2.105 -5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.019 0.497 -5.378 1.00 0.00 H new ATOM 0 HE ARG A 9 8.594 0.068 -8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.283 1.675 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.886 1.308 -6.026 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.654 -0.402 -8.852 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.094 0.137 -7.983 1.00 0.00 H new ATOM 139 N CYS A 10 3.265 1.632 -7.914 1.00 0.00 N ATOM 140 CA CYS A 10 1.952 1.009 -7.786 1.00 0.00 C ATOM 141 C CYS A 10 2.065 -0.368 -7.142 1.00 0.00 C ATOM 142 O CYS A 10 3.015 -1.109 -7.398 1.00 0.00 O ATOM 143 CB CYS A 10 1.285 0.891 -9.157 1.00 0.00 C ATOM 144 SG CYS A 10 0.761 2.471 -9.861 1.00 0.00 S ATOM 0 H CYS A 10 3.853 1.230 -8.644 1.00 0.00 H new ATOM 0 HA CYS A 10 1.338 1.641 -7.145 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.979 0.410 -9.847 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.417 0.238 -9.072 1.00 0.00 H new ATOM 0 HG CYS A 10 0.211 2.268 -11.021 1.00 0.00 H new ATOM 150 N VAL A 11 1.091 -0.707 -6.302 1.00 0.00 N ATOM 151 CA VAL A 11 1.084 -1.996 -5.622 1.00 0.00 C ATOM 152 C VAL A 11 -0.248 -2.712 -5.814 1.00 0.00 C ATOM 153 O VAL A 11 -1.313 -2.101 -5.722 1.00 0.00 O ATOM 154 CB VAL A 11 1.354 -1.837 -4.114 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.796 -1.421 -3.870 1.00 0.00 C ATOM 156 CG2 VAL A 11 0.391 -0.832 -3.502 1.00 0.00 C ATOM 0 H VAL A 11 0.298 -0.107 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 11 1.881 -2.592 -6.066 1.00 0.00 H new ATOM 0 HB VAL A 11 1.192 -2.801 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.967 -1.314 -2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.467 -2.181 -4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.989 -0.469 -4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.597 -0.733 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.518 0.136 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.633 -1.177 -3.643 1.00 0.00 H new ATOM 166 N ILE A 12 -0.181 -4.013 -6.080 1.00 0.00 N ATOM 167 CA ILE A 12 -1.382 -4.815 -6.283 1.00 0.00 C ATOM 168 C ILE A 12 -1.369 -6.052 -5.394 1.00 0.00 C ATOM 169 O ILE A 12 -0.822 -7.090 -5.766 1.00 0.00 O ATOM 170 CB ILE A 12 -1.524 -5.253 -7.753 1.00 0.00 C ATOM 171 CG1 ILE A 12 -1.340 -4.054 -8.685 1.00 0.00 C ATOM 172 CG2 ILE A 12 -2.877 -5.907 -7.983 1.00 0.00 C ATOM 173 CD1 ILE A 12 -1.206 -4.436 -10.143 1.00 0.00 C ATOM 0 H ILE A 12 0.692 -4.534 -6.160 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.232 -4.187 -6.017 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.747 -5.985 -7.975 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.190 -3.382 -8.571 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.452 -3.500 -8.380 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.962 -6.211 -9.026 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.972 -6.783 -7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.669 -5.197 -7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.079 -3.536 -10.745 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.339 -5.084 -10.271 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.104 -4.964 -10.465 1.00 0.00 H new ATOM 185 N ILE A 13 -1.972 -5.936 -4.216 1.00 0.00 N ATOM 186 CA ILE A 13 -2.027 -7.045 -3.271 1.00 0.00 C ATOM 187 C ILE A 13 -3.221 -7.950 -3.555 1.00 0.00 C ATOM 188 O ILE A 13 -4.297 -7.480 -3.922 1.00 0.00 O ATOM 189 CB ILE A 13 -2.114 -6.540 -1.818 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.022 -5.504 -1.545 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.001 -7.704 -0.844 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.507 -4.305 -0.759 1.00 0.00 C ATOM 0 H ILE A 13 -2.430 -5.084 -3.893 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.106 -7.614 -3.396 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.084 -6.063 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.209 -5.981 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.611 -5.163 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.064 -7.331 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.813 -8.409 -1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.045 -8.207 -0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.679 -3.613 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.300 -3.803 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.891 -4.634 0.206 1.00 0.00 H new ATOM 204 N GLN A 14 -3.022 -9.253 -3.379 1.00 0.00 N ATOM 205 CA GLN A 14 -4.081 -10.228 -3.614 1.00 0.00 C ATOM 206 C GLN A 14 -4.506 -10.890 -2.307 1.00 0.00 C ATOM 207 O GLN A 14 -3.668 -11.245 -1.479 1.00 0.00 O ATOM 208 CB GLN A 14 -3.613 -11.290 -4.610 1.00 0.00 C ATOM 209 CG GLN A 14 -2.991 -10.712 -5.872 1.00 0.00 C ATOM 210 CD GLN A 14 -2.623 -11.779 -6.882 1.00 0.00 C ATOM 211 OE1 GLN A 14 -2.996 -11.698 -8.053 1.00 0.00 O ATOM 212 NE2 GLN A 14 -1.886 -12.790 -6.434 1.00 0.00 N ATOM 0 H GLN A 14 -2.137 -9.658 -3.074 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.940 -9.704 -4.032 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.886 -11.939 -4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.462 -11.915 -4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.689 -10.011 -6.328 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.099 -10.146 -5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.599 -12.817 -5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.608 -13.539 -7.068 1.00 0.00 H new ATOM 221 N LYS A 15 -5.812 -11.053 -2.130 1.00 0.00 N ATOM 222 CA LYS A 15 -6.349 -11.671 -0.923 1.00 0.00 C ATOM 223 C LYS A 15 -6.089 -13.174 -0.917 1.00 0.00 C ATOM 224 O LYS A 15 -6.281 -13.852 -1.926 1.00 0.00 O ATOM 225 CB LYS A 15 -7.851 -11.403 -0.811 1.00 0.00 C ATOM 226 CG LYS A 15 -8.414 -11.668 0.574 1.00 0.00 C ATOM 227 CD LYS A 15 -9.919 -11.877 0.534 1.00 0.00 C ATOM 228 CE LYS A 15 -10.665 -10.552 0.534 1.00 0.00 C ATOM 229 NZ LYS A 15 -11.968 -10.648 1.249 1.00 0.00 N ATOM 0 H LYS A 15 -6.519 -10.766 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.842 -11.229 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.048 -10.366 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.378 -12.026 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.935 -12.549 1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.180 -10.829 1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.185 -12.446 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.228 -12.470 1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.047 -9.788 1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.838 -10.233 -0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.445 -9.724 1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.568 -11.359 0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.802 -10.928 2.237 1.00 0.00 H new ATOM 243 N ASP A 16 -5.650 -13.687 0.229 1.00 0.00 N ATOM 244 CA ASP A 16 -5.366 -15.110 0.370 1.00 0.00 C ATOM 245 C ASP A 16 -6.481 -15.806 1.147 1.00 0.00 C ATOM 246 O ASP A 16 -7.576 -15.265 1.294 1.00 0.00 O ATOM 247 CB ASP A 16 -4.023 -15.314 1.078 1.00 0.00 C ATOM 248 CG ASP A 16 -2.932 -14.424 0.518 1.00 0.00 C ATOM 249 OD1 ASP A 16 -2.613 -14.559 -0.682 1.00 0.00 O ATOM 250 OD2 ASP A 16 -2.395 -13.592 1.279 1.00 0.00 O ATOM 0 H ASP A 16 -5.484 -13.138 1.072 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.311 -15.551 -0.625 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.142 -15.111 2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.721 -16.357 0.984 1.00 0.00 H new ATOM 255 N ASP A 17 -6.199 -17.007 1.645 1.00 0.00 N ATOM 256 CA ASP A 17 -7.183 -17.768 2.406 1.00 0.00 C ATOM 257 C ASP A 17 -7.235 -17.295 3.858 1.00 0.00 C ATOM 258 O ASP A 17 -7.056 -18.085 4.785 1.00 0.00 O ATOM 259 CB ASP A 17 -6.855 -19.262 2.351 1.00 0.00 C ATOM 260 CG ASP A 17 -7.513 -19.955 1.175 1.00 0.00 C ATOM 261 OD1 ASP A 17 -8.669 -20.405 1.321 1.00 0.00 O ATOM 262 OD2 ASP A 17 -6.871 -20.051 0.108 1.00 0.00 O ATOM 0 H ASP A 17 -5.298 -17.473 1.535 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.162 -17.602 1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.775 -19.392 2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.179 -19.737 3.277 1.00 0.00 H new ATOM 267 N ASN A 18 -7.480 -16.001 4.046 1.00 0.00 N ATOM 268 CA ASN A 18 -7.557 -15.419 5.383 1.00 0.00 C ATOM 269 C ASN A 18 -7.720 -13.904 5.301 1.00 0.00 C ATOM 270 O ASN A 18 -8.468 -13.308 6.077 1.00 0.00 O ATOM 271 CB ASN A 18 -6.305 -15.766 6.194 1.00 0.00 C ATOM 272 CG ASN A 18 -6.641 -16.381 7.538 1.00 0.00 C ATOM 273 OD1 ASN A 18 -7.797 -16.381 7.963 1.00 0.00 O ATOM 274 ND2 ASN A 18 -5.630 -16.912 8.216 1.00 0.00 N ATOM 0 H ASN A 18 -7.629 -15.335 3.288 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.429 -15.839 5.885 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.687 -16.460 5.624 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.713 -14.864 6.348 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.796 -17.342 9.126 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.688 -16.890 7.827 1.00 0.00 H new ATOM 281 N GLY A 19 -7.014 -13.287 4.360 1.00 0.00 N ATOM 282 CA GLY A 19 -7.094 -11.848 4.196 1.00 0.00 C ATOM 283 C GLY A 19 -5.739 -11.219 3.931 1.00 0.00 C ATOM 284 O GLY A 19 -4.761 -11.922 3.681 1.00 0.00 O ATOM 0 H GLY A 19 -6.387 -13.758 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.767 -11.616 3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.527 -11.406 5.094 1.00 0.00 H new ATOM 288 N PHE A 20 -5.683 -9.893 3.987 1.00 0.00 N ATOM 289 CA PHE A 20 -4.438 -9.170 3.752 1.00 0.00 C ATOM 290 C PHE A 20 -3.546 -9.205 4.988 1.00 0.00 C ATOM 291 O PHE A 20 -3.994 -8.914 6.098 1.00 0.00 O ATOM 292 CB PHE A 20 -4.730 -7.722 3.358 1.00 0.00 C ATOM 293 CG PHE A 20 -5.562 -7.595 2.114 1.00 0.00 C ATOM 294 CD1 PHE A 20 -5.066 -8.010 0.888 1.00 0.00 C ATOM 295 CD2 PHE A 20 -6.839 -7.063 2.171 1.00 0.00 C ATOM 296 CE1 PHE A 20 -5.831 -7.895 -0.258 1.00 0.00 C ATOM 297 CE2 PHE A 20 -7.608 -6.945 1.028 1.00 0.00 C ATOM 298 CZ PHE A 20 -7.103 -7.363 -0.187 1.00 0.00 C ATOM 0 H PHE A 20 -6.485 -9.297 4.193 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.911 -9.661 2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.244 -7.227 4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.786 -7.197 3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.072 -8.427 0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.239 -6.736 3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.434 -8.221 -1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.602 -6.527 1.086 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.702 -7.274 -1.081 1.00 0.00 H new ATOM 308 N GLY A 21 -2.281 -9.564 4.790 1.00 0.00 N ATOM 309 CA GLY A 21 -1.347 -9.630 5.897 1.00 0.00 C ATOM 310 C GLY A 21 -0.754 -8.278 6.238 1.00 0.00 C ATOM 311 O GLY A 21 -0.476 -7.990 7.403 1.00 0.00 O ATOM 0 H GLY A 21 -1.887 -9.810 3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.855 -10.032 6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.543 -10.323 5.649 1.00 0.00 H new ATOM 315 N LEU A 22 -0.557 -7.446 5.220 1.00 0.00 N ATOM 316 CA LEU A 22 0.010 -6.116 5.418 1.00 0.00 C ATOM 317 C LEU A 22 -0.849 -5.296 6.376 1.00 0.00 C ATOM 318 O LEU A 22 -2.068 -5.463 6.432 1.00 0.00 O ATOM 319 CB LEU A 22 0.137 -5.387 4.079 1.00 0.00 C ATOM 320 CG LEU A 22 -1.185 -5.148 3.343 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.284 -3.705 2.873 1.00 0.00 C ATOM 322 CD2 LEU A 22 -1.320 -6.104 2.165 1.00 0.00 C ATOM 0 H LEU A 22 -0.781 -7.669 4.250 1.00 0.00 H new ATOM 0 HA LEU A 22 1.002 -6.233 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.619 -4.424 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.797 -5.963 3.430 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.003 -5.338 4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.230 -3.556 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.234 -3.038 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.459 -3.486 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.265 -5.920 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.495 -5.945 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.297 -7.132 2.526 1.00 0.00 H new ATOM 334 N THR A 23 -0.205 -4.409 7.128 1.00 0.00 N ATOM 335 CA THR A 23 -0.910 -3.563 8.084 1.00 0.00 C ATOM 336 C THR A 23 -0.876 -2.102 7.646 1.00 0.00 C ATOM 337 O THR A 23 0.195 -1.526 7.451 1.00 0.00 O ATOM 338 CB THR A 23 -0.291 -3.704 9.474 1.00 0.00 C ATOM 339 OG1 THR A 23 0.035 -5.056 9.744 1.00 0.00 O ATOM 340 CG2 THR A 23 -1.198 -3.221 10.586 1.00 0.00 C ATOM 0 H THR A 23 0.803 -4.258 7.094 1.00 0.00 H new ATOM 0 HA THR A 23 -1.950 -3.889 8.122 1.00 0.00 H new ATOM 0 HB THR A 23 0.601 -3.078 9.456 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.431 -5.125 10.638 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.697 -3.350 11.546 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.428 -2.166 10.435 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.122 -3.799 10.579 1.00 0.00 H new ATOM 348 N VAL A 24 -2.056 -1.508 7.494 1.00 0.00 N ATOM 349 CA VAL A 24 -2.165 -0.114 7.082 1.00 0.00 C ATOM 350 C VAL A 24 -2.860 0.718 8.154 1.00 0.00 C ATOM 351 O VAL A 24 -3.888 0.314 8.695 1.00 0.00 O ATOM 352 CB VAL A 24 -2.939 0.019 5.754 1.00 0.00 C ATOM 353 CG1 VAL A 24 -4.359 -0.505 5.905 1.00 0.00 C ATOM 354 CG2 VAL A 24 -2.944 1.466 5.280 1.00 0.00 C ATOM 0 H VAL A 24 -2.951 -1.972 7.650 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.151 0.259 6.938 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.433 -0.585 5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.888 -0.402 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.330 -1.556 6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.878 0.067 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.495 1.540 4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.422 2.094 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.919 1.802 5.126 1.00 0.00 H new ATOM 364 N SER A 25 -2.289 1.879 8.460 1.00 0.00 N ATOM 365 CA SER A 25 -2.858 2.764 9.470 1.00 0.00 C ATOM 366 C SER A 25 -2.550 4.222 9.152 1.00 0.00 C ATOM 367 O SER A 25 -1.408 4.576 8.858 1.00 0.00 O ATOM 368 CB SER A 25 -2.316 2.406 10.855 1.00 0.00 C ATOM 369 OG SER A 25 -3.284 2.654 11.860 1.00 0.00 O ATOM 0 H SER A 25 -1.435 2.228 8.024 1.00 0.00 H new ATOM 0 HA SER A 25 -3.940 2.631 9.465 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.027 1.355 10.876 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.417 2.988 11.059 1.00 0.00 H new ATOM 0 HG SER A 25 -2.915 2.416 12.736 1.00 0.00 H new ATOM 375 N GLY A 26 -3.574 5.067 9.216 1.00 0.00 N ATOM 376 CA GLY A 26 -3.386 6.478 8.936 1.00 0.00 C ATOM 377 C GLY A 26 -4.569 7.322 9.367 1.00 0.00 C ATOM 378 O GLY A 26 -5.571 7.402 8.659 1.00 0.00 O ATOM 0 H GLY A 26 -4.529 4.800 9.456 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.489 6.829 9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.218 6.613 7.867 1.00 0.00 H new ATOM 382 N ASP A 27 -4.449 7.961 10.528 1.00 0.00 N ATOM 383 CA ASP A 27 -5.518 8.810 11.046 1.00 0.00 C ATOM 384 C ASP A 27 -5.901 9.868 10.019 1.00 0.00 C ATOM 385 O ASP A 27 -6.981 9.817 9.430 1.00 0.00 O ATOM 386 CB ASP A 27 -5.083 9.477 12.351 1.00 0.00 C ATOM 387 CG ASP A 27 -5.037 8.502 13.512 1.00 0.00 C ATOM 388 OD1 ASP A 27 -3.998 7.830 13.684 1.00 0.00 O ATOM 389 OD2 ASP A 27 -6.042 8.410 14.249 1.00 0.00 O ATOM 0 H ASP A 27 -3.625 7.907 11.126 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.389 8.185 11.245 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.098 9.924 12.216 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.772 10.288 12.588 1.00 0.00 H new ATOM 394 N ASN A 28 -5.001 10.822 9.799 1.00 0.00 N ATOM 395 CA ASN A 28 -5.240 11.883 8.829 1.00 0.00 C ATOM 396 C ASN A 28 -4.894 11.399 7.423 1.00 0.00 C ATOM 397 O ASN A 28 -5.724 11.452 6.516 1.00 0.00 O ATOM 398 CB ASN A 28 -4.414 13.124 9.181 1.00 0.00 C ATOM 399 CG ASN A 28 -5.279 14.347 9.420 1.00 0.00 C ATOM 400 OD1 ASN A 28 -6.399 14.438 8.917 1.00 0.00 O ATOM 401 ND2 ASN A 28 -4.759 15.296 10.190 1.00 0.00 N ATOM 0 H ASN A 28 -4.103 10.881 10.278 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.296 12.150 8.858 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.822 12.922 10.073 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.712 13.331 8.373 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.292 16.143 10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.826 15.178 10.586 1.00 0.00 H new ATOM 408 N PRO A 29 -3.655 10.909 7.229 1.00 0.00 N ATOM 409 CA PRO A 29 -3.197 10.404 5.938 1.00 0.00 C ATOM 410 C PRO A 29 -3.545 8.930 5.747 1.00 0.00 C ATOM 411 O PRO A 29 -4.367 8.379 6.477 1.00 0.00 O ATOM 412 CB PRO A 29 -1.687 10.592 6.036 1.00 0.00 C ATOM 413 CG PRO A 29 -1.377 10.374 7.479 1.00 0.00 C ATOM 414 CD PRO A 29 -2.601 10.802 8.257 1.00 0.00 C ATOM 0 HA PRO A 29 -3.658 10.914 5.092 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.156 9.880 5.404 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.389 11.589 5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.144 9.327 7.671 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.505 10.955 7.779 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.863 10.072 9.023 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.440 11.753 8.764 1.00 0.00 H new ATOM 422 N VAL A 30 -2.912 8.295 4.767 1.00 0.00 N ATOM 423 CA VAL A 30 -3.156 6.885 4.492 1.00 0.00 C ATOM 424 C VAL A 30 -1.895 6.206 3.964 1.00 0.00 C ATOM 425 O VAL A 30 -1.578 6.294 2.777 1.00 0.00 O ATOM 426 CB VAL A 30 -4.307 6.701 3.479 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.041 7.494 2.208 1.00 0.00 C ATOM 428 CG2 VAL A 30 -4.524 5.223 3.169 1.00 0.00 C ATOM 0 H VAL A 30 -2.227 8.734 4.151 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.444 6.417 5.434 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.222 7.087 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.865 7.349 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.954 8.553 2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.113 7.149 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.339 5.117 2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.612 4.802 2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.776 4.692 4.087 1.00 0.00 H new ATOM 438 N PHE A 31 -1.176 5.531 4.857 1.00 0.00 N ATOM 439 CA PHE A 31 0.053 4.841 4.485 1.00 0.00 C ATOM 440 C PHE A 31 0.084 3.434 5.070 1.00 0.00 C ATOM 441 O PHE A 31 -0.472 3.184 6.140 1.00 0.00 O ATOM 442 CB PHE A 31 1.271 5.631 4.966 1.00 0.00 C ATOM 443 CG PHE A 31 1.261 5.909 6.443 1.00 0.00 C ATOM 444 CD1 PHE A 31 1.811 5.003 7.335 1.00 0.00 C ATOM 445 CD2 PHE A 31 0.702 7.076 6.938 1.00 0.00 C ATOM 446 CE1 PHE A 31 1.804 5.256 8.693 1.00 0.00 C ATOM 447 CE2 PHE A 31 0.692 7.334 8.295 1.00 0.00 C ATOM 448 CZ PHE A 31 1.243 6.423 9.175 1.00 0.00 C ATOM 0 H PHE A 31 -1.424 5.448 5.843 1.00 0.00 H new ATOM 0 HA PHE A 31 0.083 4.765 3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.176 5.077 4.715 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.316 6.577 4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.250 4.089 6.965 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.269 7.792 6.255 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.237 4.542 9.378 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.253 8.248 8.668 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.235 6.622 10.236 1.00 0.00 H new ATOM 458 N VAL A 32 0.740 2.519 4.365 1.00 0.00 N ATOM 459 CA VAL A 32 0.845 1.139 4.819 1.00 0.00 C ATOM 460 C VAL A 32 2.039 0.959 5.749 1.00 0.00 C ATOM 461 O VAL A 32 3.183 1.210 5.364 1.00 0.00 O ATOM 462 CB VAL A 32 0.979 0.162 3.635 1.00 0.00 C ATOM 463 CG1 VAL A 32 0.819 -1.275 4.105 1.00 0.00 C ATOM 464 CG2 VAL A 32 -0.037 0.493 2.550 1.00 0.00 C ATOM 0 H VAL A 32 1.206 2.709 3.478 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.074 0.914 5.360 1.00 0.00 H new ATOM 0 HB VAL A 32 1.977 0.271 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.917 -1.949 3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.590 -1.505 4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.164 -1.402 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.073 -0.208 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.044 0.416 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.132 1.508 2.191 1.00 0.00 H new ATOM 474 N GLN A 33 1.766 0.529 6.977 1.00 0.00 N ATOM 475 CA GLN A 33 2.815 0.319 7.968 1.00 0.00 C ATOM 476 C GLN A 33 3.819 -0.724 7.491 1.00 0.00 C ATOM 477 O GLN A 33 4.979 -0.407 7.230 1.00 0.00 O ATOM 478 CB GLN A 33 2.204 -0.117 9.302 1.00 0.00 C ATOM 479 CG GLN A 33 3.181 -0.062 10.465 1.00 0.00 C ATOM 480 CD GLN A 33 2.630 -0.710 11.720 1.00 0.00 C ATOM 481 OE1 GLN A 33 1.548 -0.358 12.189 1.00 0.00 O ATOM 482 NE2 GLN A 33 3.374 -1.661 12.271 1.00 0.00 N ATOM 0 H GLN A 33 0.825 0.319 7.310 1.00 0.00 H new ATOM 0 HA GLN A 33 3.341 1.263 8.106 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.349 0.521 9.526 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.826 -1.135 9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.108 -0.560 10.180 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.430 0.978 10.677 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.265 -1.921 11.848 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.055 -2.132 13.118 1.00 0.00 H new ATOM 491 N SER A 34 3.367 -1.968 7.381 1.00 0.00 N ATOM 492 CA SER A 34 4.231 -3.057 6.937 1.00 0.00 C ATOM 493 C SER A 34 3.528 -3.928 5.900 1.00 0.00 C ATOM 494 O SER A 34 2.332 -3.775 5.654 1.00 0.00 O ATOM 495 CB SER A 34 4.660 -3.912 8.130 1.00 0.00 C ATOM 496 OG SER A 34 5.620 -3.236 8.924 1.00 0.00 O ATOM 0 H SER A 34 2.409 -2.248 7.593 1.00 0.00 H new ATOM 0 HA SER A 34 5.115 -2.618 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.789 -4.157 8.738 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.076 -4.855 7.775 1.00 0.00 H new ATOM 0 HG SER A 34 5.876 -3.803 9.681 1.00 0.00 H new ATOM 502 N VAL A 35 4.282 -4.841 5.298 1.00 0.00 N ATOM 503 CA VAL A 35 3.738 -5.740 4.287 1.00 0.00 C ATOM 504 C VAL A 35 4.223 -7.169 4.508 1.00 0.00 C ATOM 505 O VAL A 35 5.289 -7.390 5.079 1.00 0.00 O ATOM 506 CB VAL A 35 4.128 -5.288 2.867 1.00 0.00 C ATOM 507 CG1 VAL A 35 3.318 -4.068 2.452 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.620 -5.002 2.791 1.00 0.00 C ATOM 0 H VAL A 35 5.274 -4.978 5.493 1.00 0.00 H new ATOM 0 HA VAL A 35 2.653 -5.709 4.383 1.00 0.00 H new ATOM 0 HB VAL A 35 3.901 -6.096 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.608 -3.764 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.256 -4.315 2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.509 -3.251 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.879 -4.684 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.875 -4.212 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.177 -5.905 3.041 1.00 0.00 H new ATOM 518 N LYS A 36 3.432 -8.136 4.053 1.00 0.00 N ATOM 519 CA LYS A 36 3.785 -9.544 4.208 1.00 0.00 C ATOM 520 C LYS A 36 4.930 -9.926 3.275 1.00 0.00 C ATOM 521 O LYS A 36 4.838 -9.758 2.057 1.00 0.00 O ATOM 522 CB LYS A 36 2.568 -10.431 3.936 1.00 0.00 C ATOM 523 CG LYS A 36 1.923 -10.186 2.581 1.00 0.00 C ATOM 524 CD LYS A 36 0.418 -10.009 2.702 1.00 0.00 C ATOM 525 CE LYS A 36 -0.316 -11.328 2.528 1.00 0.00 C ATOM 526 NZ LYS A 36 -1.029 -11.401 1.222 1.00 0.00 N ATOM 0 H LYS A 36 2.546 -7.972 3.576 1.00 0.00 H new ATOM 0 HA LYS A 36 4.114 -9.698 5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.870 -11.476 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.826 -10.264 4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.359 -9.297 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.139 -11.023 1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.178 -9.584 3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.073 -9.298 1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.395 -12.151 2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.032 -11.454 3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.916 -11.930 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.241 -10.439 0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.428 -11.885 0.525 1.00 0.00 H new ATOM 540 N GLU A 37 6.007 -10.442 3.860 1.00 0.00 N ATOM 541 CA GLU A 37 7.175 -10.854 3.093 1.00 0.00 C ATOM 542 C GLU A 37 6.913 -12.169 2.369 1.00 0.00 C ATOM 543 O GLU A 37 6.187 -13.030 2.867 1.00 0.00 O ATOM 544 CB GLU A 37 8.389 -10.999 4.012 1.00 0.00 C ATOM 545 CG GLU A 37 8.230 -12.085 5.065 1.00 0.00 C ATOM 546 CD GLU A 37 7.820 -11.532 6.416 1.00 0.00 C ATOM 547 OE1 GLU A 37 8.685 -10.961 7.111 1.00 0.00 O ATOM 548 OE2 GLU A 37 6.633 -11.669 6.778 1.00 0.00 O ATOM 0 H GLU A 37 6.094 -10.585 4.866 1.00 0.00 H new ATOM 0 HA GLU A 37 7.380 -10.084 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.268 -11.218 3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.573 -10.047 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.483 -12.805 4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.171 -12.626 5.168 1.00 0.00 H new ATOM 555 N ASP A 38 7.507 -12.319 1.189 1.00 0.00 N ATOM 556 CA ASP A 38 7.335 -13.530 0.393 1.00 0.00 C ATOM 557 C ASP A 38 5.856 -13.816 0.143 1.00 0.00 C ATOM 558 O ASP A 38 5.469 -14.959 -0.104 1.00 0.00 O ATOM 559 CB ASP A 38 7.984 -14.723 1.099 1.00 0.00 C ATOM 560 CG ASP A 38 8.605 -15.704 0.122 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.984 -15.276 -0.988 1.00 0.00 O ATOM 562 OD2 ASP A 38 8.710 -16.899 0.469 1.00 0.00 O ATOM 0 H ASP A 38 8.112 -11.617 0.763 1.00 0.00 H new ATOM 0 HA ASP A 38 7.822 -13.374 -0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.751 -14.363 1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.235 -15.238 1.700 1.00 0.00 H new ATOM 567 N GLY A 39 5.034 -12.773 0.207 1.00 0.00 N ATOM 568 CA GLY A 39 3.610 -12.935 -0.015 1.00 0.00 C ATOM 569 C GLY A 39 3.091 -12.044 -1.126 1.00 0.00 C ATOM 570 O GLY A 39 3.862 -11.558 -1.954 1.00 0.00 O ATOM 0 H GLY A 39 5.330 -11.818 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.400 -13.976 -0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.074 -12.710 0.907 1.00 0.00 H new ATOM 574 N ALA A 40 1.780 -11.831 -1.146 1.00 0.00 N ATOM 575 CA ALA A 40 1.155 -10.995 -2.164 1.00 0.00 C ATOM 576 C ALA A 40 1.685 -9.566 -2.110 1.00 0.00 C ATOM 577 O ALA A 40 1.916 -8.940 -3.146 1.00 0.00 O ATOM 578 CB ALA A 40 -0.357 -11.005 -2.001 1.00 0.00 C ATOM 0 H ALA A 40 1.129 -12.226 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 40 1.408 -11.409 -3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.810 -10.377 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.727 -12.025 -2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.619 -10.620 -1.015 1.00 0.00 H new ATOM 584 N ALA A 41 1.875 -9.050 -0.900 1.00 0.00 N ATOM 585 CA ALA A 41 2.376 -7.692 -0.720 1.00 0.00 C ATOM 586 C ALA A 41 3.826 -7.576 -1.181 1.00 0.00 C ATOM 587 O ALA A 41 4.179 -6.655 -1.917 1.00 0.00 O ATOM 588 CB ALA A 41 2.247 -7.270 0.735 1.00 0.00 C ATOM 0 H ALA A 41 1.690 -9.551 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 41 1.772 -7.024 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.625 -6.255 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.199 -7.304 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.825 -7.948 1.363 1.00 0.00 H new ATOM 594 N MET A 42 4.661 -8.515 -0.749 1.00 0.00 N ATOM 595 CA MET A 42 6.070 -8.510 -1.126 1.00 0.00 C ATOM 596 C MET A 42 6.226 -8.690 -2.633 1.00 0.00 C ATOM 597 O MET A 42 7.079 -8.062 -3.258 1.00 0.00 O ATOM 598 CB MET A 42 6.821 -9.620 -0.391 1.00 0.00 C ATOM 599 CG MET A 42 8.313 -9.645 -0.691 1.00 0.00 C ATOM 600 SD MET A 42 9.321 -9.208 0.741 1.00 0.00 S ATOM 601 CE MET A 42 8.861 -7.493 0.969 1.00 0.00 C ATOM 0 H MET A 42 4.388 -9.286 -0.140 1.00 0.00 H new ATOM 0 HA MET A 42 6.494 -7.546 -0.844 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.676 -9.497 0.682 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.388 -10.583 -0.663 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.593 -10.640 -1.037 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.527 -8.953 -1.505 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.416 -7.076 1.809 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.094 -6.930 0.065 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.792 -7.427 1.172 1.00 0.00 H new ATOM 611 N ARG A 43 5.395 -9.553 -3.209 1.00 0.00 N ATOM 612 CA ARG A 43 5.439 -9.817 -4.643 1.00 0.00 C ATOM 613 C ARG A 43 4.945 -8.611 -5.433 1.00 0.00 C ATOM 614 O ARG A 43 5.399 -8.357 -6.548 1.00 0.00 O ATOM 615 CB ARG A 43 4.593 -11.047 -4.981 1.00 0.00 C ATOM 616 CG ARG A 43 5.401 -12.331 -5.088 1.00 0.00 C ATOM 617 CD ARG A 43 4.503 -13.538 -5.306 1.00 0.00 C ATOM 618 NE ARG A 43 5.079 -14.483 -6.259 1.00 0.00 N ATOM 619 CZ ARG A 43 6.173 -15.202 -6.021 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.814 -15.086 -4.864 1.00 0.00 N ATOM 621 NH2 ARG A 43 6.629 -16.039 -6.944 1.00 0.00 N ATOM 0 H ARG A 43 4.683 -10.081 -2.705 1.00 0.00 H new ATOM 0 HA ARG A 43 6.475 -10.010 -4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.827 -11.172 -4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.075 -10.874 -5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.109 -12.249 -5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.986 -12.471 -4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.334 -14.041 -4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.530 -13.205 -5.668 1.00 0.00 H new ATOM 0 HE ARG A 43 4.615 -14.599 -7.160 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.468 -14.443 -4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.652 -15.640 -4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.141 -16.131 -7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.468 -16.591 -6.763 1.00 0.00 H new ATOM 635 N ALA A 44 4.009 -7.871 -4.847 1.00 0.00 N ATOM 636 CA ALA A 44 3.452 -6.689 -5.495 1.00 0.00 C ATOM 637 C ALA A 44 4.467 -5.548 -5.544 1.00 0.00 C ATOM 638 O ALA A 44 4.295 -4.588 -6.293 1.00 0.00 O ATOM 639 CB ALA A 44 2.187 -6.243 -4.775 1.00 0.00 C ATOM 0 H ALA A 44 3.620 -8.069 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 44 3.202 -6.955 -6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.780 -5.360 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.450 -7.046 -4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.424 -6.003 -3.738 1.00 0.00 H new ATOM 645 N GLY A 45 5.524 -5.660 -4.744 1.00 0.00 N ATOM 646 CA GLY A 45 6.545 -4.629 -4.719 1.00 0.00 C ATOM 647 C GLY A 45 6.210 -3.503 -3.762 1.00 0.00 C ATOM 648 O GLY A 45 6.619 -2.361 -3.969 1.00 0.00 O ATOM 0 H GLY A 45 5.691 -6.445 -4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.498 -5.073 -4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.671 -4.223 -5.723 1.00 0.00 H new ATOM 652 N VAL A 46 5.464 -3.823 -2.709 1.00 0.00 N ATOM 653 CA VAL A 46 5.076 -2.827 -1.717 1.00 0.00 C ATOM 654 C VAL A 46 6.228 -2.527 -0.766 1.00 0.00 C ATOM 655 O VAL A 46 7.067 -3.387 -0.499 1.00 0.00 O ATOM 656 CB VAL A 46 3.856 -3.294 -0.896 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.295 -2.141 -0.078 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.788 -3.883 -1.808 1.00 0.00 C ATOM 0 H VAL A 46 5.117 -4.763 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 46 4.810 -1.922 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 46 4.180 -4.075 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.435 -2.486 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.061 -1.772 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.986 -1.337 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.936 -4.206 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.463 -3.127 -2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.199 -4.738 -2.345 1.00 0.00 H new ATOM 668 N GLN A 47 6.266 -1.298 -0.259 1.00 0.00 N ATOM 669 CA GLN A 47 7.318 -0.884 0.662 1.00 0.00 C ATOM 670 C GLN A 47 6.765 -0.689 2.069 1.00 0.00 C ATOM 671 O GLN A 47 5.555 -0.571 2.261 1.00 0.00 O ATOM 672 CB GLN A 47 7.972 0.410 0.175 1.00 0.00 C ATOM 673 CG GLN A 47 8.677 0.269 -1.164 1.00 0.00 C ATOM 674 CD GLN A 47 8.711 1.567 -1.945 1.00 0.00 C ATOM 675 OE1 GLN A 47 9.342 2.540 -1.529 1.00 0.00 O ATOM 676 NE2 GLN A 47 8.031 1.592 -3.086 1.00 0.00 N ATOM 0 H GLN A 47 5.581 -0.573 -0.471 1.00 0.00 H new ATOM 0 HA GLN A 47 8.069 -1.673 0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.210 1.185 0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.692 0.747 0.921 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.697 -0.078 -0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.173 -0.494 -1.757 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.522 0.764 -3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.018 2.439 -3.654 1.00 0.00 H new ATOM 685 N THR A 48 7.660 -0.657 3.052 1.00 0.00 N ATOM 686 CA THR A 48 7.261 -0.474 4.442 1.00 0.00 C ATOM 687 C THR A 48 7.057 1.003 4.761 1.00 0.00 C ATOM 688 O THR A 48 7.960 1.819 4.573 1.00 0.00 O ATOM 689 CB THR A 48 8.315 -1.069 5.378 1.00 0.00 C ATOM 690 OG1 THR A 48 8.949 -2.183 4.775 1.00 0.00 O ATOM 691 CG2 THR A 48 7.749 -1.526 6.705 1.00 0.00 C ATOM 0 H THR A 48 8.665 -0.755 2.911 1.00 0.00 H new ATOM 0 HA THR A 48 6.314 -0.993 4.593 1.00 0.00 H new ATOM 0 HB THR A 48 9.024 -0.262 5.563 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.621 -2.549 5.388 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.550 -1.937 7.320 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.296 -0.678 7.219 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.993 -2.292 6.534 1.00 0.00 H new ATOM 699 N GLY A 49 5.868 1.340 5.243 1.00 0.00 N ATOM 700 CA GLY A 49 5.567 2.718 5.580 1.00 0.00 C ATOM 701 C GLY A 49 5.467 3.607 4.356 1.00 0.00 C ATOM 702 O GLY A 49 6.005 4.715 4.341 1.00 0.00 O ATOM 0 H GLY A 49 5.105 0.683 5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.627 2.757 6.131 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.341 3.104 6.243 1.00 0.00 H new ATOM 706 N ASP A 50 4.778 3.124 3.329 1.00 0.00 N ATOM 707 CA ASP A 50 4.610 3.885 2.096 1.00 0.00 C ATOM 708 C ASP A 50 3.310 4.683 2.124 1.00 0.00 C ATOM 709 O ASP A 50 2.315 4.244 2.699 1.00 0.00 O ATOM 710 CB ASP A 50 4.622 2.948 0.885 1.00 0.00 C ATOM 711 CG ASP A 50 3.481 1.950 0.910 1.00 0.00 C ATOM 712 OD1 ASP A 50 2.740 1.919 1.914 1.00 0.00 O ATOM 713 OD2 ASP A 50 3.328 1.200 -0.077 1.00 0.00 O ATOM 0 H ASP A 50 4.327 2.209 3.325 1.00 0.00 H new ATOM 0 HA ASP A 50 5.443 4.583 2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.562 3.540 -0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.570 2.410 0.855 1.00 0.00 H new ATOM 718 N ARG A 51 3.326 5.855 1.500 1.00 0.00 N ATOM 719 CA ARG A 51 2.147 6.712 1.455 1.00 0.00 C ATOM 720 C ARG A 51 1.229 6.301 0.311 1.00 0.00 C ATOM 721 O ARG A 51 1.694 5.994 -0.786 1.00 0.00 O ATOM 722 CB ARG A 51 2.559 8.177 1.295 1.00 0.00 C ATOM 723 CG ARG A 51 2.849 8.876 2.612 1.00 0.00 C ATOM 724 CD ARG A 51 3.293 10.314 2.393 1.00 0.00 C ATOM 725 NE ARG A 51 2.164 11.240 2.374 1.00 0.00 N ATOM 726 CZ ARG A 51 1.550 11.681 3.471 1.00 0.00 C ATOM 727 NH1 ARG A 51 1.953 11.284 4.672 1.00 0.00 N ATOM 728 NH2 ARG A 51 0.529 12.521 3.365 1.00 0.00 N ATOM 0 H ARG A 51 4.142 6.234 1.019 1.00 0.00 H new ATOM 0 HA ARG A 51 1.606 6.598 2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.446 8.229 0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.765 8.714 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.957 8.861 3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.625 8.332 3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.986 10.604 3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.836 10.386 1.451 1.00 0.00 H new ATOM 0 HE ARG A 51 1.826 11.568 1.469 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.737 10.638 4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.479 11.626 5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.215 12.828 2.445 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.058 12.860 4.204 1.00 0.00 H new ATOM 742 N ILE A 52 -0.073 6.295 0.573 1.00 0.00 N ATOM 743 CA ILE A 52 -1.050 5.918 -0.440 1.00 0.00 C ATOM 744 C ILE A 52 -1.707 7.148 -1.056 1.00 0.00 C ATOM 745 O ILE A 52 -2.423 7.886 -0.380 1.00 0.00 O ATOM 746 CB ILE A 52 -2.144 5.005 0.146 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.511 3.869 0.953 1.00 0.00 C ATOM 748 CG2 ILE A 52 -3.022 4.448 -0.964 1.00 0.00 C ATOM 749 CD1 ILE A 52 -2.513 3.075 1.764 1.00 0.00 C ATOM 0 H ILE A 52 -0.475 6.546 1.476 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.508 5.373 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.770 5.596 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.991 3.195 0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.760 4.285 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.790 3.805 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.496 5.270 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.410 3.869 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.996 2.287 2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.016 3.736 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.250 2.630 1.096 1.00 0.00 H new ATOM 761 N ILE A 53 -1.457 7.363 -2.343 1.00 0.00 N ATOM 762 CA ILE A 53 -2.024 8.504 -3.052 1.00 0.00 C ATOM 763 C ILE A 53 -3.479 8.246 -3.429 1.00 0.00 C ATOM 764 O ILE A 53 -4.330 9.127 -3.302 1.00 0.00 O ATOM 765 CB ILE A 53 -1.224 8.828 -4.330 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.266 8.945 -4.012 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.738 10.113 -4.965 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.161 8.465 -5.133 1.00 0.00 C ATOM 0 H ILE A 53 -0.865 6.762 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.971 9.356 -2.374 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.360 8.013 -5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.501 9.986 -3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.484 8.370 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.164 10.329 -5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.790 9.995 -5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.629 10.937 -4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.205 8.577 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.953 7.415 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.971 9.056 -6.029 1.00 0.00 H new ATOM 780 N LYS A 54 -3.760 7.033 -3.891 1.00 0.00 N ATOM 781 CA LYS A 54 -5.114 6.660 -4.284 1.00 0.00 C ATOM 782 C LYS A 54 -5.301 5.148 -4.213 1.00 0.00 C ATOM 783 O LYS A 54 -4.397 4.383 -4.546 1.00 0.00 O ATOM 784 CB LYS A 54 -5.412 7.159 -5.699 1.00 0.00 C ATOM 785 CG LYS A 54 -4.548 6.513 -6.769 1.00 0.00 C ATOM 786 CD LYS A 54 -5.095 6.780 -8.163 1.00 0.00 C ATOM 787 CE LYS A 54 -4.435 5.886 -9.201 1.00 0.00 C ATOM 788 NZ LYS A 54 -3.386 6.610 -9.970 1.00 0.00 N ATOM 0 H LYS A 54 -3.069 6.291 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.811 7.127 -3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.461 6.970 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.268 8.239 -5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.530 6.896 -6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.497 5.438 -6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.172 6.614 -8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.932 7.825 -8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.991 5.022 -8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.192 5.507 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.960 5.966 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.814 7.420 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.650 6.950 -9.318 1.00 0.00 H new ATOM 802 N VAL A 55 -6.483 4.724 -3.776 1.00 0.00 N ATOM 803 CA VAL A 55 -6.788 3.303 -3.661 1.00 0.00 C ATOM 804 C VAL A 55 -7.781 2.864 -4.731 1.00 0.00 C ATOM 805 O VAL A 55 -8.862 3.439 -4.861 1.00 0.00 O ATOM 806 CB VAL A 55 -7.363 2.962 -2.273 1.00 0.00 C ATOM 807 CG1 VAL A 55 -7.484 1.457 -2.101 1.00 0.00 C ATOM 808 CG2 VAL A 55 -6.499 3.564 -1.176 1.00 0.00 C ATOM 0 H VAL A 55 -7.244 5.343 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.849 2.767 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.361 3.394 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.892 1.235 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.148 1.055 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.499 0.999 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.920 3.313 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.488 3.163 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.469 4.648 -1.290 1.00 0.00 H new ATOM 818 N ASN A 56 -7.409 1.842 -5.493 1.00 0.00 N ATOM 819 CA ASN A 56 -8.268 1.323 -6.551 1.00 0.00 C ATOM 820 C ASN A 56 -8.573 2.404 -7.585 1.00 0.00 C ATOM 821 O ASN A 56 -9.681 2.472 -8.117 1.00 0.00 O ATOM 822 CB ASN A 56 -9.571 0.783 -5.960 1.00 0.00 C ATOM 823 CG ASN A 56 -9.379 -0.547 -5.259 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.649 -1.415 -5.735 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.036 -0.712 -4.116 1.00 0.00 N ATOM 0 H ASN A 56 -6.517 1.356 -5.398 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.739 0.510 -7.048 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.975 1.508 -5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.308 0.669 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.945 -1.585 -3.597 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.631 0.035 -3.757 1.00 0.00 H new ATOM 832 N GLY A 57 -7.583 3.245 -7.865 1.00 0.00 N ATOM 833 CA GLY A 57 -7.767 4.309 -8.834 1.00 0.00 C ATOM 834 C GLY A 57 -8.891 5.254 -8.455 1.00 0.00 C ATOM 835 O GLY A 57 -9.518 5.863 -9.322 1.00 0.00 O ATOM 0 H GLY A 57 -6.657 3.209 -7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.839 4.873 -8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.977 3.874 -9.811 1.00 0.00 H new ATOM 839 N THR A 58 -9.146 5.377 -7.157 1.00 0.00 N ATOM 840 CA THR A 58 -10.201 6.254 -6.665 1.00 0.00 C ATOM 841 C THR A 58 -9.807 6.885 -5.334 1.00 0.00 C ATOM 842 O THR A 58 -9.855 6.236 -4.290 1.00 0.00 O ATOM 843 CB THR A 58 -11.509 5.475 -6.508 1.00 0.00 C ATOM 844 OG1 THR A 58 -12.466 6.243 -5.798 1.00 0.00 O ATOM 845 CG2 THR A 58 -11.340 4.162 -5.778 1.00 0.00 C ATOM 0 H THR A 58 -8.636 4.880 -6.427 1.00 0.00 H new ATOM 0 HA THR A 58 -10.347 7.051 -7.394 1.00 0.00 H new ATOM 0 HB THR A 58 -11.845 5.265 -7.523 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.296 5.730 -5.709 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.305 3.661 -5.702 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.645 3.527 -6.327 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.948 4.349 -4.778 1.00 0.00 H new ATOM 853 N LEU A 59 -9.419 8.156 -5.381 1.00 0.00 N ATOM 854 CA LEU A 59 -9.016 8.876 -4.179 1.00 0.00 C ATOM 855 C LEU A 59 -10.182 9.007 -3.203 1.00 0.00 C ATOM 856 O LEU A 59 -11.339 8.814 -3.576 1.00 0.00 O ATOM 857 CB LEU A 59 -8.485 10.264 -4.543 1.00 0.00 C ATOM 858 CG LEU A 59 -7.102 10.278 -5.194 1.00 0.00 C ATOM 859 CD1 LEU A 59 -7.218 10.107 -6.701 1.00 0.00 C ATOM 860 CD2 LEU A 59 -6.368 11.567 -4.857 1.00 0.00 C ATOM 0 H LEU A 59 -9.375 8.708 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.223 8.305 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.193 10.741 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.450 10.872 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.527 9.441 -4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.223 10.120 -7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.703 9.156 -6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.811 10.922 -7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.385 11.560 -5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.941 12.419 -5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.251 11.647 -3.776 1.00 0.00 H new ATOM 872 N VAL A 60 -9.869 9.338 -1.954 1.00 0.00 N ATOM 873 CA VAL A 60 -10.890 9.496 -0.926 1.00 0.00 C ATOM 874 C VAL A 60 -10.632 10.740 -0.084 1.00 0.00 C ATOM 875 O VAL A 60 -9.691 10.782 0.708 1.00 0.00 O ATOM 876 CB VAL A 60 -10.951 8.267 0.002 1.00 0.00 C ATOM 877 CG1 VAL A 60 -11.656 7.110 -0.690 1.00 0.00 C ATOM 878 CG2 VAL A 60 -9.553 7.861 0.446 1.00 0.00 C ATOM 0 H VAL A 60 -8.916 9.502 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.844 9.599 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.525 8.534 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.690 6.251 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -12.672 7.407 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.112 6.842 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.617 6.992 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.951 7.613 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.088 8.687 0.984 1.00 0.00 H new ATOM 888 N THR A 61 -11.473 11.754 -0.261 1.00 0.00 N ATOM 889 CA THR A 61 -11.336 13.001 0.482 1.00 0.00 C ATOM 890 C THR A 61 -12.284 13.030 1.676 1.00 0.00 C ATOM 891 O THR A 61 -13.439 12.616 1.574 1.00 0.00 O ATOM 892 CB THR A 61 -11.613 14.197 -0.431 1.00 0.00 C ATOM 893 OG1 THR A 61 -11.520 15.410 0.291 1.00 0.00 O ATOM 894 CG2 THR A 61 -12.978 14.150 -1.080 1.00 0.00 C ATOM 0 H THR A 61 -12.257 11.736 -0.913 1.00 0.00 H new ATOM 0 HA THR A 61 -10.312 13.063 0.851 1.00 0.00 H new ATOM 0 HB THR A 61 -10.856 14.145 -1.214 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.699 16.163 -0.310 1.00 0.00 H new ATOM 0 HG21 THR A 61 -13.110 15.027 -1.714 1.00 0.00 H new ATOM 0 HG22 THR A 61 -13.062 13.248 -1.686 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.748 14.141 -0.308 1.00 0.00 H new ATOM 902 N HIS A 62 -11.788 13.522 2.806 1.00 0.00 N ATOM 903 CA HIS A 62 -12.592 13.607 4.021 1.00 0.00 C ATOM 904 C HIS A 62 -13.067 12.224 4.456 1.00 0.00 C ATOM 905 O HIS A 62 -14.202 12.057 4.902 1.00 0.00 O ATOM 906 CB HIS A 62 -13.795 14.526 3.798 1.00 0.00 C ATOM 907 CG HIS A 62 -14.437 14.992 5.067 1.00 0.00 C ATOM 908 ND1 HIS A 62 -13.718 15.455 6.149 1.00 0.00 N ATOM 909 CD2 HIS A 62 -15.741 15.067 5.423 1.00 0.00 C ATOM 910 CE1 HIS A 62 -14.552 15.793 7.116 1.00 0.00 C ATOM 911 NE2 HIS A 62 -15.785 15.568 6.701 1.00 0.00 N ATOM 0 H HIS A 62 -10.834 13.868 2.907 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.968 14.023 4.812 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -13.476 15.395 3.222 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -14.537 14.000 3.197 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -16.588 14.785 4.815 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -14.273 16.187 8.082 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -16.633 15.739 7.242 1.00 0.00 H new ATOM 920 N SER A 63 -12.189 11.234 4.323 1.00 0.00 N ATOM 921 CA SER A 63 -12.519 9.864 4.702 1.00 0.00 C ATOM 922 C SER A 63 -11.713 9.426 5.921 1.00 0.00 C ATOM 923 O SER A 63 -10.842 10.154 6.394 1.00 0.00 O ATOM 924 CB SER A 63 -12.254 8.913 3.533 1.00 0.00 C ATOM 925 OG SER A 63 -13.110 9.195 2.441 1.00 0.00 O ATOM 0 H SER A 63 -11.245 11.355 3.956 1.00 0.00 H new ATOM 0 HA SER A 63 -13.578 9.830 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.215 9.002 3.217 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.401 7.883 3.858 1.00 0.00 H new ATOM 0 HG SER A 63 -14.022 8.910 2.658 1.00 0.00 H new ATOM 931 N ASN A 64 -12.010 8.232 6.423 1.00 0.00 N ATOM 932 CA ASN A 64 -11.313 7.696 7.585 1.00 0.00 C ATOM 933 C ASN A 64 -10.722 6.324 7.280 1.00 0.00 C ATOM 934 O ASN A 64 -10.857 5.812 6.167 1.00 0.00 O ATOM 935 CB ASN A 64 -12.268 7.598 8.778 1.00 0.00 C ATOM 936 CG ASN A 64 -13.005 8.898 9.035 1.00 0.00 C ATOM 937 OD1 ASN A 64 -12.405 9.973 9.045 1.00 0.00 O ATOM 938 ND2 ASN A 64 -14.312 8.805 9.246 1.00 0.00 N ATOM 0 H ASN A 64 -12.729 7.617 6.042 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.498 8.376 7.834 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.991 6.803 8.597 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.705 7.320 9.669 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.861 9.646 9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.768 7.893 9.228 1.00 0.00 H new ATOM 945 N HIS A 65 -10.063 5.732 8.271 1.00 0.00 N ATOM 946 CA HIS A 65 -9.451 4.420 8.105 1.00 0.00 C ATOM 947 C HIS A 65 -10.504 3.363 7.783 1.00 0.00 C ATOM 948 O HIS A 65 -10.262 2.456 6.985 1.00 0.00 O ATOM 949 CB HIS A 65 -8.685 4.025 9.368 1.00 0.00 C ATOM 950 CG HIS A 65 -7.610 3.015 9.118 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.302 2.005 10.006 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.767 2.860 8.070 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.317 1.274 9.513 1.00 0.00 C ATOM 954 NE2 HIS A 65 -5.976 1.772 8.340 1.00 0.00 N ATOM 0 H HIS A 65 -9.940 6.141 9.197 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.753 4.478 7.270 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.240 4.917 9.808 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.387 3.625 10.100 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -7.762 1.847 10.902 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.725 3.478 7.185 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.868 0.415 9.990 1.00 0.00 H new ATOM 963 N LEU A 66 -11.673 3.489 8.406 1.00 0.00 N ATOM 964 CA LEU A 66 -12.760 2.545 8.182 1.00 0.00 C ATOM 965 C LEU A 66 -13.092 2.453 6.696 1.00 0.00 C ATOM 966 O LEU A 66 -13.288 1.362 6.159 1.00 0.00 O ATOM 967 CB LEU A 66 -14.002 2.967 8.970 1.00 0.00 C ATOM 968 CG LEU A 66 -13.771 3.215 10.461 1.00 0.00 C ATOM 969 CD1 LEU A 66 -14.604 4.392 10.943 1.00 0.00 C ATOM 970 CD2 LEU A 66 -14.093 1.965 11.266 1.00 0.00 C ATOM 0 H LEU A 66 -11.890 4.234 9.068 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.438 1.563 8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.404 3.877 8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.763 2.195 8.860 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.719 3.457 10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.426 4.553 12.006 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.323 5.288 10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -15.661 4.181 10.780 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.923 2.160 12.325 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.137 1.691 11.111 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.451 1.147 10.940 1.00 0.00 H new ATOM 982 N GLU A 67 -13.138 3.606 6.036 1.00 0.00 N ATOM 983 CA GLU A 67 -13.429 3.653 4.611 1.00 0.00 C ATOM 984 C GLU A 67 -12.341 2.927 3.828 1.00 0.00 C ATOM 985 O GLU A 67 -12.630 2.148 2.921 1.00 0.00 O ATOM 986 CB GLU A 67 -13.543 5.102 4.135 1.00 0.00 C ATOM 987 CG GLU A 67 -14.963 5.647 4.179 1.00 0.00 C ATOM 988 CD GLU A 67 -15.043 7.015 4.824 1.00 0.00 C ATOM 989 OE1 GLU A 67 -14.590 7.155 5.980 1.00 0.00 O ATOM 990 OE2 GLU A 67 -15.559 7.948 4.174 1.00 0.00 O ATOM 0 H GLU A 67 -12.978 4.517 6.466 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.382 3.154 4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.902 5.730 4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.168 5.171 3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.358 5.704 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.598 4.952 4.729 1.00 0.00 H new ATOM 997 N VAL A 68 -11.088 3.178 4.200 1.00 0.00 N ATOM 998 CA VAL A 68 -9.957 2.535 3.544 1.00 0.00 C ATOM 999 C VAL A 68 -10.029 1.027 3.739 1.00 0.00 C ATOM 1000 O VAL A 68 -9.875 0.255 2.789 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.612 3.050 4.094 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.467 2.634 3.183 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -8.642 4.562 4.269 1.00 0.00 C ATOM 0 H VAL A 68 -10.833 3.820 4.950 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.012 2.779 2.483 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.450 2.601 5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.526 3.007 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.429 1.547 3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.624 3.050 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.682 4.902 4.658 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.832 5.036 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.433 4.832 4.968 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.283 0.614 4.977 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.393 -0.801 5.299 1.00 0.00 C ATOM 1015 C VAL A 69 -11.554 -1.428 4.538 1.00 0.00 C ATOM 1016 O VAL A 69 -11.414 -2.498 3.944 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.602 -1.023 6.810 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -10.541 -2.504 7.147 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -9.571 -0.241 7.613 1.00 0.00 C ATOM 0 H VAL A 69 -10.416 1.240 5.771 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.457 -1.275 5.004 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.592 -0.655 7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.691 -2.640 8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.322 -3.034 6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.567 -2.902 6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.734 -0.410 8.677 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.569 -0.575 7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.670 0.822 7.395 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.695 -0.748 4.551 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.878 -1.231 3.851 1.00 0.00 C ATOM 1031 C LYS A 70 -13.615 -1.302 2.352 1.00 0.00 C ATOM 1032 O LYS A 70 -14.059 -2.231 1.675 1.00 0.00 O ATOM 1033 CB LYS A 70 -15.075 -0.320 4.132 1.00 0.00 C ATOM 1034 CG LYS A 70 -16.370 -1.077 4.377 1.00 0.00 C ATOM 1035 CD LYS A 70 -17.249 -0.361 5.391 1.00 0.00 C ATOM 1036 CE LYS A 70 -16.913 -0.783 6.814 1.00 0.00 C ATOM 1037 NZ LYS A 70 -15.625 -0.198 7.277 1.00 0.00 N ATOM 0 H LYS A 70 -12.825 0.139 5.038 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.108 -2.232 4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.855 0.298 5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.213 0.356 3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.912 -1.187 3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.144 -2.082 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.120 0.717 5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.297 -0.578 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.715 -0.472 7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.858 -1.870 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.560 -0.276 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.833 -0.712 6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.580 0.804 7.002 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.885 -0.317 1.840 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.555 -0.268 0.420 1.00 0.00 C ATOM 1053 C LEU A 71 -11.587 -1.389 0.059 1.00 0.00 C ATOM 1054 O LEU A 71 -11.746 -2.053 -0.965 1.00 0.00 O ATOM 1055 CB LEU A 71 -11.947 1.090 0.061 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.842 1.995 -0.790 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.720 3.444 -0.342 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -12.489 1.858 -2.263 1.00 0.00 C ATOM 0 H LEU A 71 -12.510 0.458 2.387 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.473 -0.403 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.697 1.615 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.012 0.923 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.877 1.682 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.364 4.071 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.023 3.529 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.686 3.771 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.135 2.508 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.448 2.144 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.631 0.824 -2.576 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.584 -1.596 0.908 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.595 -2.641 0.675 1.00 0.00 C ATOM 1072 C ILE A 72 -10.215 -4.025 0.852 1.00 0.00 C ATOM 1073 O ILE A 72 -9.876 -4.963 0.129 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.388 -2.497 1.625 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.737 -1.124 1.449 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -7.373 -3.603 1.376 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -7.048 -0.615 2.697 1.00 0.00 C ATOM 0 H ILE A 72 -10.436 -1.055 1.760 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.247 -2.530 -0.352 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.744 -2.586 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.010 -1.177 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.499 -0.406 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.530 -3.483 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.842 -4.572 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.019 -3.547 0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.610 0.363 2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.775 -0.529 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.262 -1.312 2.989 1.00 0.00 H new ATOM 1089 N LYS A 73 -11.124 -4.146 1.815 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.789 -5.418 2.079 1.00 0.00 C ATOM 1091 C LYS A 73 -12.815 -5.732 0.994 1.00 0.00 C ATOM 1092 O LYS A 73 -13.056 -6.895 0.670 1.00 0.00 O ATOM 1093 CB LYS A 73 -12.471 -5.387 3.449 1.00 0.00 C ATOM 1094 CG LYS A 73 -11.682 -6.100 4.536 1.00 0.00 C ATOM 1095 CD LYS A 73 -10.622 -5.193 5.141 1.00 0.00 C ATOM 1096 CE LYS A 73 -9.363 -5.968 5.493 1.00 0.00 C ATOM 1097 NZ LYS A 73 -9.367 -6.420 6.912 1.00 0.00 N ATOM 0 H LYS A 73 -11.416 -3.382 2.424 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.032 -6.202 2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.626 -4.350 3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.456 -5.846 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.362 -6.439 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.207 -6.988 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.377 -4.398 4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.019 -4.715 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.274 -6.834 4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.489 -5.341 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.491 -6.945 7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.426 -5.593 7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.186 -7.039 7.077 1.00 0.00 H new ATOM 1111 N SER A 74 -13.413 -4.685 0.433 1.00 0.00 N ATOM 1112 CA SER A 74 -14.412 -4.850 -0.617 1.00 0.00 C ATOM 1113 C SER A 74 -13.776 -5.390 -1.893 1.00 0.00 C ATOM 1114 O SER A 74 -13.486 -4.637 -2.822 1.00 0.00 O ATOM 1115 CB SER A 74 -15.104 -3.518 -0.905 1.00 0.00 C ATOM 1116 OG SER A 74 -16.292 -3.710 -1.654 1.00 0.00 O ATOM 0 H SER A 74 -13.224 -3.716 0.687 1.00 0.00 H new ATOM 0 HA SER A 74 -15.153 -5.569 -0.268 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.340 -3.017 0.034 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.426 -2.864 -1.454 1.00 0.00 H new ATOM 0 HG SER A 74 -16.716 -2.843 -1.823 1.00 0.00 H new ATOM 1122 N GLY A 75 -13.563 -6.702 -1.931 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.963 -7.323 -3.098 1.00 0.00 C ATOM 1124 C GLY A 75 -11.781 -8.202 -2.744 1.00 0.00 C ATOM 1125 O GLY A 75 -11.348 -8.237 -1.591 1.00 0.00 O ATOM 0 H GLY A 75 -13.795 -7.346 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.714 -7.921 -3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.640 -6.548 -3.793 1.00 0.00 H new ATOM 1129 N SER A 76 -11.256 -8.917 -3.735 1.00 0.00 N ATOM 1130 CA SER A 76 -10.117 -9.799 -3.521 1.00 0.00 C ATOM 1131 C SER A 76 -8.816 -9.125 -3.944 1.00 0.00 C ATOM 1132 O SER A 76 -7.803 -9.218 -3.251 1.00 0.00 O ATOM 1133 CB SER A 76 -10.303 -11.105 -4.297 1.00 0.00 C ATOM 1134 OG SER A 76 -11.631 -11.587 -4.174 1.00 0.00 O ATOM 0 H SER A 76 -11.603 -8.902 -4.694 1.00 0.00 H new ATOM 0 HA SER A 76 -10.059 -10.021 -2.455 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.067 -10.943 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.605 -11.855 -3.926 1.00 0.00 H new ATOM 0 HG SER A 76 -11.724 -12.421 -4.680 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.853 -8.446 -5.085 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.677 -7.755 -5.601 1.00 0.00 C ATOM 1142 C TYR A 77 -7.739 -6.264 -5.286 1.00 0.00 C ATOM 1143 O TYR A 77 -8.670 -5.571 -5.696 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.558 -7.966 -7.111 1.00 0.00 C ATOM 1145 CG TYR A 77 -7.414 -9.417 -7.511 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -8.477 -10.301 -7.379 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -6.215 -9.903 -8.017 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -8.349 -11.629 -7.742 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -6.079 -11.230 -8.382 1.00 0.00 C ATOM 1150 CZ TYR A 77 -7.150 -12.087 -8.241 1.00 0.00 C ATOM 1151 OH TYR A 77 -7.019 -13.408 -8.603 1.00 0.00 O ATOM 0 H TYR A 77 -9.684 -8.359 -5.670 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.797 -8.173 -5.113 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.440 -7.550 -7.598 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.697 -7.409 -7.480 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.418 -9.946 -6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.375 -9.233 -8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.185 -12.304 -7.635 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.141 -11.593 -8.775 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.111 -13.567 -8.937 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.742 -5.777 -4.554 1.00 0.00 N ATOM 1162 CA VAL A 78 -6.682 -4.370 -4.183 1.00 0.00 C ATOM 1163 C VAL A 78 -5.462 -3.691 -4.796 1.00 0.00 C ATOM 1164 O VAL A 78 -4.325 -4.086 -4.540 1.00 0.00 O ATOM 1165 CB VAL A 78 -6.643 -4.194 -2.650 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.396 -4.842 -2.067 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -6.713 -2.721 -2.277 1.00 0.00 C ATOM 0 H VAL A 78 -5.964 -6.338 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.586 -3.901 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.514 -4.693 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.387 -4.707 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.397 -5.907 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.509 -4.377 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.684 -2.619 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.865 -2.194 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.641 -2.293 -2.657 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.706 -2.664 -5.605 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.626 -1.930 -6.255 1.00 0.00 C ATOM 1179 C ALA A 79 -4.658 -0.455 -5.869 1.00 0.00 C ATOM 1180 O ALA A 79 -5.499 0.305 -6.347 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.717 -2.083 -7.765 1.00 0.00 C ATOM 0 H ALA A 79 -6.641 -2.322 -5.826 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.679 -2.349 -5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.905 -1.530 -8.236 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.639 -3.138 -8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.673 -1.691 -8.113 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.734 -0.057 -4.999 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.655 1.328 -4.547 1.00 0.00 C ATOM 1189 C LEU A 80 -2.296 1.932 -4.886 1.00 0.00 C ATOM 1190 O LEU A 80 -1.256 1.321 -4.644 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.902 1.409 -3.040 1.00 0.00 C ATOM 1192 CG LEU A 80 -2.965 0.554 -2.182 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -1.807 1.393 -1.662 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -3.726 -0.080 -1.028 1.00 0.00 C ATOM 0 H LEU A 80 -3.030 -0.674 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.426 1.899 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.808 2.449 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.930 1.107 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.560 -0.244 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.151 0.770 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.245 1.799 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.194 2.212 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.043 -0.684 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.160 0.702 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.521 -0.714 -1.421 1.00 0.00 H new ATOM 1206 N THR A 81 -2.314 3.136 -5.450 1.00 0.00 N ATOM 1207 CA THR A 81 -1.083 3.824 -5.822 1.00 0.00 C ATOM 1208 C THR A 81 -0.438 4.485 -4.609 1.00 0.00 C ATOM 1209 O THR A 81 -1.059 5.310 -3.935 1.00 0.00 O ATOM 1210 CB THR A 81 -1.367 4.872 -6.900 1.00 0.00 C ATOM 1211 OG1 THR A 81 -1.983 4.276 -8.028 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.123 5.588 -7.380 1.00 0.00 C ATOM 0 H THR A 81 -3.167 3.655 -5.659 1.00 0.00 H new ATOM 0 HA THR A 81 -0.388 3.083 -6.218 1.00 0.00 H new ATOM 0 HB THR A 81 -2.027 5.601 -6.429 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.308 3.802 -8.557 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.395 6.317 -8.143 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.349 6.099 -6.541 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.574 4.864 -7.802 1.00 0.00 H new ATOM 1220 N VAL A 82 0.812 4.122 -4.338 1.00 0.00 N ATOM 1221 CA VAL A 82 1.544 4.679 -3.207 1.00 0.00 C ATOM 1222 C VAL A 82 2.753 5.482 -3.679 1.00 0.00 C ATOM 1223 O VAL A 82 3.123 5.436 -4.851 1.00 0.00 O ATOM 1224 CB VAL A 82 2.020 3.575 -2.244 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.830 2.854 -1.628 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.937 2.592 -2.960 1.00 0.00 C ATOM 0 H VAL A 82 1.339 3.443 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 82 0.855 5.338 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 82 2.589 4.043 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.186 2.078 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.219 3.567 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.231 2.400 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.261 1.821 -2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.399 2.129 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.808 3.122 -3.345 1.00 0.00 H new ATOM 1236 N GLN A 83 3.363 6.219 -2.756 1.00 0.00 N ATOM 1237 CA GLN A 83 4.530 7.032 -3.077 1.00 0.00 C ATOM 1238 C GLN A 83 5.616 6.866 -2.020 1.00 0.00 C ATOM 1239 O GLN A 83 5.326 6.749 -0.830 1.00 0.00 O ATOM 1240 CB GLN A 83 4.133 8.505 -3.194 1.00 0.00 C ATOM 1241 CG GLN A 83 4.848 9.241 -4.315 1.00 0.00 C ATOM 1242 CD GLN A 83 5.182 10.675 -3.955 1.00 0.00 C ATOM 1243 OE1 GLN A 83 6.335 11.006 -3.682 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.169 11.535 -3.950 1.00 0.00 N ATOM 0 H GLN A 83 3.069 6.270 -1.781 1.00 0.00 H new ATOM 0 HA GLN A 83 4.927 6.693 -4.034 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.057 8.571 -3.356 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.344 9.006 -2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.767 8.710 -4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.222 9.231 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.228 11.216 -4.183 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.332 12.514 -3.713 1.00 0.00 H new ATOM 1253 N GLY A 84 6.869 6.859 -2.464 1.00 0.00 N ATOM 1254 CA GLY A 84 7.981 6.707 -1.544 1.00 0.00 C ATOM 1255 C GLY A 84 9.193 7.513 -1.964 1.00 0.00 C ATOM 1256 O GLY A 84 9.324 7.890 -3.129 1.00 0.00 O ATOM 0 H GLY A 84 7.134 6.956 -3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.669 7.018 -0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.253 5.654 -1.479 1.00 0.00 H new ATOM 1260 N ARG A 85 10.084 7.776 -1.013 1.00 0.00 N ATOM 1261 CA ARG A 85 11.294 8.542 -1.290 1.00 0.00 C ATOM 1262 C ARG A 85 12.365 8.266 -0.238 1.00 0.00 C ATOM 1263 O ARG A 85 12.052 7.975 0.916 1.00 0.00 O ATOM 1264 CB ARG A 85 10.976 10.037 -1.333 1.00 0.00 C ATOM 1265 CG ARG A 85 10.357 10.564 -0.048 1.00 0.00 C ATOM 1266 CD ARG A 85 9.841 11.984 -0.220 1.00 0.00 C ATOM 1267 NE ARG A 85 8.873 12.343 0.814 1.00 0.00 N ATOM 1268 CZ ARG A 85 9.208 12.688 2.055 1.00 0.00 C ATOM 1269 NH1 ARG A 85 10.482 12.725 2.420 1.00 0.00 N ATOM 1270 NH2 ARG A 85 8.264 13.001 2.933 1.00 0.00 N ATOM 0 H ARG A 85 9.991 7.470 -0.044 1.00 0.00 H new ATOM 0 HA ARG A 85 11.678 8.232 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.893 10.589 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.295 10.232 -2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.538 9.912 0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.098 10.539 0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.679 12.680 -0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.378 12.085 -1.201 1.00 0.00 H new ATOM 0 HE ARG A 85 7.883 12.328 0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.212 12.488 1.748 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.732 12.990 3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.282 12.977 2.657 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.520 13.266 3.884 1.00 0.00 H new ATOM 1284 N PRO A 86 13.649 8.355 -0.625 1.00 0.00 N ATOM 1285 CA PRO A 86 14.769 8.113 0.291 1.00 0.00 C ATOM 1286 C PRO A 86 14.924 9.226 1.324 1.00 0.00 C ATOM 1287 O PRO A 86 14.214 10.231 1.277 1.00 0.00 O ATOM 1288 CB PRO A 86 15.983 8.073 -0.637 1.00 0.00 C ATOM 1289 CG PRO A 86 15.589 8.901 -1.810 1.00 0.00 C ATOM 1290 CD PRO A 86 14.109 8.698 -1.983 1.00 0.00 C ATOM 0 HA PRO A 86 14.630 7.202 0.873 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.869 8.476 -0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.220 7.052 -0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.821 9.952 -1.641 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.132 8.594 -2.704 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.621 9.598 -2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.893 7.900 -2.694 1.00 0.00 H new ATOM 1298 N PRO A 87 15.857 9.060 2.277 1.00 0.00 N ATOM 1299 CA PRO A 87 16.101 10.058 3.324 1.00 0.00 C ATOM 1300 C PRO A 87 16.379 11.442 2.748 1.00 0.00 C ATOM 1301 O PRO A 87 16.221 11.669 1.549 1.00 0.00 O ATOM 1302 CB PRO A 87 17.339 9.523 4.050 1.00 0.00 C ATOM 1303 CG PRO A 87 17.333 8.058 3.782 1.00 0.00 C ATOM 1304 CD PRO A 87 16.747 7.892 2.409 1.00 0.00 C ATOM 0 HA PRO A 87 15.235 10.186 3.973 1.00 0.00 H new ATOM 0 HB2 PRO A 87 18.250 9.990 3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 87 17.291 9.730 5.119 1.00 0.00 H new ATOM 0 HG2 PRO A 87 18.342 7.649 3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.740 7.527 4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.519 7.886 1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.198 6.955 2.317 1.00 0.00 H new ATOM 1312 N GLY A 88 16.795 12.365 3.610 1.00 0.00 N ATOM 1313 CA GLY A 88 17.089 13.715 3.165 1.00 0.00 C ATOM 1314 C GLY A 88 17.511 14.621 4.304 1.00 0.00 C ATOM 1315 O GLY A 88 18.372 15.484 4.132 1.00 0.00 O ATOM 0 H GLY A 88 16.934 12.202 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 88 17.881 13.683 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.208 14.134 2.679 1.00 0.00 H new ATOM 1319 N SER A 89 16.904 14.427 5.470 1.00 0.00 N ATOM 1320 CA SER A 89 17.221 15.234 6.642 1.00 0.00 C ATOM 1321 C SER A 89 17.476 14.352 7.859 1.00 0.00 C ATOM 1322 O SER A 89 18.216 14.792 8.764 1.00 0.00 O ATOM 1323 CB SER A 89 16.084 16.213 6.937 1.00 0.00 C ATOM 1324 OG SER A 89 16.558 17.353 7.632 1.00 0.00 O ATOM 1325 OXT SER A 89 16.934 13.227 7.898 1.00 0.00 O ATOM 0 H SER A 89 16.189 13.717 5.628 1.00 0.00 H new ATOM 0 HA SER A 89 18.129 15.797 6.428 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.615 16.522 6.003 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.316 15.715 7.530 1.00 0.00 H new ATOM 0 HG SER A 89 15.811 17.963 7.807 1.00 0.00 H new TER 1331 SER A 89