USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 492 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 8 LYS NZ :NH3+ 156:sc= 1.4 (180deg=0.118) USER MOD Set 1.2: A 32 GLN : amide:sc= -0.767 K(o=0.63,f=-11!) USER MOD Single : A 1 LYS N :NH3+ -133:sc= -1.65! (180deg=-2.68!) USER MOD Single : A 1 LYS NZ :NH3+ 160:sc= 1.02 (180deg=0.85) USER MOD Single : A 4 TYR OH : rot 51:sc= 0.025 USER MOD Single : A 9 ASN : amide:sc= -0.0146 K(o=-0.015,f=-0.6) USER MOD Single : A 10 THR OG1 : rot -80:sc= 1.2 USER MOD Single : A 13 LYS NZ :NH3+ 139:sc= -0.0195 (180deg=-3.6!) USER MOD Single : A 14 TYR OH : rot -5:sc= -0.267 USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= 2.28 (180deg=1.3) USER MOD Single : A 22 ASN : amide:sc= -0.573! C(o=-0.57!,f=-7.1!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 1.42 K(o=1.4,f=-8.9!) USER MOD Single : A 33 TYR OH : rot -162:sc= 0.426! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -72:sc= 0.0683 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -71:sc= 1.16 USER MOD Single : A 50 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.4) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.27 K(o=0.27,f=-5.8!) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 2.36 (180deg=2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.177 -1.297 0.742 1.00 1.00 N ATOM 2 CA LYS A 1 -8.360 -0.504 0.456 1.00 1.00 C ATOM 3 C LYS A 1 -8.040 0.502 -0.651 1.00 1.00 C ATOM 4 O LYS A 1 -6.910 0.557 -1.136 1.00 1.00 O ATOM 5 CB LYS A 1 -8.896 0.140 1.736 1.00 1.00 C ATOM 6 CG LYS A 1 -8.173 1.457 2.032 1.00 1.00 C ATOM 7 CD LYS A 1 -8.646 2.056 3.357 1.00 1.00 C ATOM 8 CE LYS A 1 -9.619 3.214 3.118 1.00 1.00 C ATOM 9 NZ LYS A 1 -10.864 2.721 2.488 1.00 1.00 N ATOM 0 H1 LYS A 1 -7.435 -2.304 0.783 1.00 1.00 H new ATOM 0 H2 LYS A 1 -6.472 -1.151 -0.008 1.00 1.00 H new ATOM 0 H3 LYS A 1 -6.776 -1.005 1.656 1.00 1.00 H new ATOM 0 HA LYS A 1 -9.164 -1.140 0.086 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -9.966 0.323 1.635 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -8.768 -0.546 2.574 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -7.097 1.285 2.070 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -8.354 2.165 1.223 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -9.132 1.286 3.956 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -7.787 2.409 3.928 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -9.852 3.703 4.064 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -9.152 3.963 2.478 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -11.626 3.413 2.636 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -10.709 2.590 1.468 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -11.134 1.813 2.916 1.00 1.00 H new ATOM 25 N GLU A 2 -9.052 1.273 -1.019 1.00 1.00 N ATOM 26 CA GLU A 2 -9.109 1.850 -2.350 1.00 1.00 C ATOM 27 C GLU A 2 -8.227 3.098 -2.425 1.00 1.00 C ATOM 28 O GLU A 2 -8.516 4.107 -1.785 1.00 1.00 O ATOM 29 CB GLU A 2 -10.550 2.173 -2.748 1.00 1.00 C ATOM 30 CG GLU A 2 -11.521 1.136 -2.178 1.00 1.00 C ATOM 31 CD GLU A 2 -12.209 1.664 -0.918 1.00 1.00 C ATOM 32 OE1 GLU A 2 -11.497 1.809 0.100 1.00 1.00 O ATOM 33 OE2 GLU A 2 -13.432 1.911 -1.000 1.00 1.00 O ATOM 0 H GLU A 2 -9.840 1.512 -0.417 1.00 1.00 H new ATOM 0 HA GLU A 2 -8.728 1.115 -3.059 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -10.818 3.165 -2.385 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -10.634 2.197 -3.834 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -12.271 0.884 -2.928 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -10.982 0.218 -1.945 1.00 1.00 H new ATOM 40 N GLY A 3 -7.168 2.989 -3.215 1.00 1.00 N ATOM 41 CA GLY A 3 -6.125 4.001 -3.212 1.00 1.00 C ATOM 42 C GLY A 3 -4.952 3.582 -4.101 1.00 1.00 C ATOM 43 O GLY A 3 -5.005 2.541 -4.756 1.00 1.00 O ATOM 0 H GLY A 3 -7.010 2.216 -3.861 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -6.532 4.949 -3.564 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -5.774 4.163 -2.193 1.00 1.00 H new ATOM 47 N TYR A 4 -3.921 4.413 -4.096 1.00 1.00 N ATOM 48 CA TYR A 4 -2.756 4.166 -4.928 1.00 1.00 C ATOM 49 C TYR A 4 -1.906 3.029 -4.358 1.00 1.00 C ATOM 50 O TYR A 4 -1.074 3.251 -3.480 1.00 1.00 O ATOM 51 CB TYR A 4 -1.938 5.459 -4.904 1.00 1.00 C ATOM 52 CG TYR A 4 -2.630 6.645 -5.579 1.00 1.00 C ATOM 53 CD1 TYR A 4 -2.690 6.716 -6.956 1.00 1.00 C ATOM 54 CD2 TYR A 4 -3.194 7.643 -4.811 1.00 1.00 C ATOM 55 CE1 TYR A 4 -3.341 7.833 -7.590 1.00 1.00 C ATOM 56 CE2 TYR A 4 -3.845 8.760 -5.446 1.00 1.00 C ATOM 57 CZ TYR A 4 -3.887 8.799 -6.805 1.00 1.00 C ATOM 58 OH TYR A 4 -4.501 9.854 -7.405 1.00 1.00 O ATOM 0 H TYR A 4 -3.868 5.259 -3.529 1.00 1.00 H new ATOM 0 HA TYR A 4 -3.058 3.881 -5.936 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -1.720 5.720 -3.868 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -0.982 5.281 -5.396 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -2.249 5.935 -7.557 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -3.147 7.587 -3.733 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -3.394 7.902 -8.666 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -4.290 9.548 -4.857 1.00 1.00 H new ATOM 0 HH TYR A 4 -5.144 9.525 -8.068 1.00 1.00 H new ATOM 68 N LEU A 5 -2.145 1.834 -4.880 1.00 1.00 N ATOM 69 CA LEU A 5 -1.428 0.659 -4.418 1.00 1.00 C ATOM 70 C LEU A 5 0.068 0.971 -4.353 1.00 1.00 C ATOM 71 O LEU A 5 0.606 1.635 -5.238 1.00 1.00 O ATOM 72 CB LEU A 5 -1.766 -0.553 -5.290 1.00 1.00 C ATOM 73 CG LEU A 5 -0.884 -0.758 -6.523 1.00 1.00 C ATOM 74 CD1 LEU A 5 -1.034 -2.177 -7.074 1.00 1.00 C ATOM 75 CD2 LEU A 5 -1.171 0.303 -7.587 1.00 1.00 C ATOM 0 H LEU A 5 -2.825 1.655 -5.619 1.00 1.00 H new ATOM 0 HA LEU A 5 -1.743 0.394 -3.408 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -1.706 -1.449 -4.672 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -2.801 -0.462 -5.619 1.00 1.00 H new ATOM 0 HG LEU A 5 0.157 -0.637 -6.222 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -0.397 -2.296 -7.950 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -0.740 -2.897 -6.310 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -2.073 -2.350 -7.355 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -0.530 0.133 -8.452 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -2.216 0.240 -7.891 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -0.972 1.293 -7.177 1.00 1.00 H new ATOM 87 N VAL A 6 0.699 0.477 -3.298 1.00 1.00 N ATOM 88 CA VAL A 6 2.111 0.740 -3.079 1.00 1.00 C ATOM 89 C VAL A 6 2.910 -0.535 -3.357 1.00 1.00 C ATOM 90 O VAL A 6 2.419 -1.640 -3.137 1.00 1.00 O ATOM 91 CB VAL A 6 2.329 1.286 -1.666 1.00 1.00 C ATOM 92 CG1 VAL A 6 2.157 0.184 -0.619 1.00 1.00 C ATOM 93 CG2 VAL A 6 3.701 1.951 -1.542 1.00 1.00 C ATOM 0 H VAL A 6 0.258 -0.104 -2.585 1.00 1.00 H new ATOM 0 HA VAL A 6 2.469 1.506 -3.767 1.00 1.00 H new ATOM 0 HB VAL A 6 1.570 2.046 -1.479 1.00 1.00 H new ATOM 0 HG11 VAL A 6 2.317 0.599 0.376 1.00 1.00 H new ATOM 0 HG12 VAL A 6 1.149 -0.225 -0.683 1.00 1.00 H new ATOM 0 HG13 VAL A 6 2.882 -0.609 -0.803 1.00 1.00 H new ATOM 0 HG21 VAL A 6 3.831 2.331 -0.529 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.480 1.220 -1.759 1.00 1.00 H new ATOM 0 HG23 VAL A 6 3.771 2.777 -2.250 1.00 1.00 H new ATOM 103 N ASP A 7 4.129 -0.337 -3.836 1.00 1.00 N ATOM 104 CA ASP A 7 4.904 -1.437 -4.387 1.00 1.00 C ATOM 105 C ASP A 7 5.619 -2.171 -3.249 1.00 1.00 C ATOM 106 O ASP A 7 6.229 -1.541 -2.387 1.00 1.00 O ATOM 107 CB ASP A 7 5.968 -0.927 -5.362 1.00 1.00 C ATOM 108 CG ASP A 7 6.948 -1.989 -5.862 1.00 1.00 C ATOM 109 OD1 ASP A 7 6.549 -3.175 -5.864 1.00 1.00 O ATOM 110 OD2 ASP A 7 8.075 -1.594 -6.230 1.00 1.00 O ATOM 0 H ASP A 7 4.599 0.568 -3.854 1.00 1.00 H new ATOM 0 HA ASP A 7 4.220 -2.101 -4.915 1.00 1.00 H new ATOM 0 HB2 ASP A 7 5.468 -0.482 -6.222 1.00 1.00 H new ATOM 0 HB3 ASP A 7 6.534 -0.132 -4.876 1.00 1.00 H new ATOM 115 N LYS A 8 5.520 -3.491 -3.286 1.00 1.00 N ATOM 116 CA LYS A 8 6.027 -4.310 -2.198 1.00 1.00 C ATOM 117 C LYS A 8 7.557 -4.319 -2.244 1.00 1.00 C ATOM 118 O LYS A 8 8.210 -4.532 -1.224 1.00 1.00 O ATOM 119 CB LYS A 8 5.402 -5.705 -2.241 1.00 1.00 C ATOM 120 CG LYS A 8 4.166 -5.780 -1.343 1.00 1.00 C ATOM 121 CD LYS A 8 2.988 -5.029 -1.968 1.00 1.00 C ATOM 122 CE LYS A 8 1.697 -5.287 -1.189 1.00 1.00 C ATOM 123 NZ LYS A 8 1.056 -6.539 -1.648 1.00 1.00 N ATOM 0 H LYS A 8 5.096 -4.014 -4.052 1.00 1.00 H new ATOM 0 HA LYS A 8 5.738 -3.887 -1.236 1.00 1.00 H new ATOM 0 HB2 LYS A 8 5.127 -5.953 -3.266 1.00 1.00 H new ATOM 0 HB3 LYS A 8 6.135 -6.446 -1.920 1.00 1.00 H new ATOM 0 HG2 LYS A 8 3.892 -6.823 -1.181 1.00 1.00 H new ATOM 0 HG3 LYS A 8 4.396 -5.355 -0.366 1.00 1.00 H new ATOM 0 HD2 LYS A 8 3.200 -3.960 -1.983 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.861 -5.343 -3.004 1.00 1.00 H new ATOM 0 HE2 LYS A 8 1.916 -5.353 -0.123 1.00 1.00 H new ATOM 0 HE3 LYS A 8 1.011 -4.450 -1.323 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.449 -6.916 -0.892 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 0.478 -6.345 -2.491 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.789 -7.238 -1.885 1.00 1.00 H new ATOM 137 N ASN A 9 8.083 -4.086 -3.437 1.00 1.00 N ATOM 138 CA ASN A 9 9.522 -4.012 -3.619 1.00 1.00 C ATOM 139 C ASN A 9 10.029 -2.666 -3.096 1.00 1.00 C ATOM 140 O ASN A 9 10.500 -2.573 -1.964 1.00 1.00 O ATOM 141 CB ASN A 9 9.897 -4.117 -5.098 1.00 1.00 C ATOM 142 CG ASN A 9 10.184 -5.567 -5.490 1.00 1.00 C ATOM 143 OD1 ASN A 9 9.732 -6.509 -4.859 1.00 1.00 O ATOM 144 ND2 ASN A 9 10.960 -5.695 -6.562 1.00 1.00 N ATOM 0 H ASN A 9 7.538 -3.946 -4.288 1.00 1.00 H new ATOM 0 HA ASN A 9 9.974 -4.841 -3.074 1.00 1.00 H new ATOM 0 HB2 ASN A 9 9.086 -3.725 -5.711 1.00 1.00 H new ATOM 0 HB3 ASN A 9 10.774 -3.502 -5.299 1.00 1.00 H new ATOM 0 HD21 ASN A 9 11.211 -6.623 -6.902 1.00 1.00 H new ATOM 0 HD22 ASN A 9 11.305 -4.865 -7.044 1.00 1.00 H new ATOM 151 N THR A 10 9.918 -1.657 -3.947 1.00 1.00 N ATOM 152 CA THR A 10 10.640 -0.414 -3.734 1.00 1.00 C ATOM 153 C THR A 10 9.765 0.587 -2.978 1.00 1.00 C ATOM 154 O THR A 10 10.256 1.609 -2.501 1.00 1.00 O ATOM 155 CB THR A 10 11.113 0.098 -5.095 1.00 1.00 C ATOM 156 OG1 THR A 10 9.906 0.329 -5.818 1.00 1.00 O ATOM 157 CG2 THR A 10 11.833 -0.980 -5.909 1.00 1.00 C ATOM 0 H THR A 10 9.338 -1.675 -4.786 1.00 1.00 H new ATOM 0 HA THR A 10 11.518 -0.569 -3.107 1.00 1.00 H new ATOM 0 HB THR A 10 11.778 0.949 -4.951 1.00 1.00 H new ATOM 0 HG1 THR A 10 9.568 -0.521 -6.171 1.00 1.00 H new ATOM 0 HG21 THR A 10 12.148 -0.564 -6.866 1.00 1.00 H new ATOM 0 HG22 THR A 10 12.708 -1.328 -5.359 1.00 1.00 H new ATOM 0 HG23 THR A 10 11.157 -1.817 -6.082 1.00 1.00 H new ATOM 165 N GLY A 11 8.485 0.259 -2.892 1.00 1.00 N ATOM 166 CA GLY A 11 7.500 1.209 -2.404 1.00 1.00 C ATOM 167 C GLY A 11 7.067 2.169 -3.514 1.00 1.00 C ATOM 168 O GLY A 11 6.216 3.030 -3.299 1.00 1.00 O ATOM 0 H GLY A 11 8.107 -0.652 -3.152 1.00 1.00 H new ATOM 0 HA2 GLY A 11 6.631 0.673 -2.022 1.00 1.00 H new ATOM 0 HA3 GLY A 11 7.917 1.775 -1.571 1.00 1.00 H new ATOM 172 N CYS A 12 7.675 1.990 -4.678 1.00 1.00 N ATOM 173 CA CYS A 12 7.419 2.877 -5.801 1.00 1.00 C ATOM 174 C CYS A 12 6.514 2.145 -6.793 1.00 1.00 C ATOM 175 O CYS A 12 5.298 2.339 -6.790 1.00 1.00 O ATOM 176 CB CYS A 12 8.719 3.350 -6.455 1.00 1.00 C ATOM 177 SG CYS A 12 8.983 5.160 -6.415 1.00 1.00 S ATOM 0 H CYS A 12 8.344 1.244 -4.868 1.00 1.00 H new ATOM 0 HA CYS A 12 6.917 3.779 -5.450 1.00 1.00 H new ATOM 0 HB2 CYS A 12 9.558 2.863 -5.957 1.00 1.00 H new ATOM 0 HB3 CYS A 12 8.729 3.018 -7.493 1.00 1.00 H new ATOM 182 N LYS A 13 7.139 1.319 -7.619 1.00 1.00 N ATOM 183 CA LYS A 13 6.577 0.992 -8.918 1.00 1.00 C ATOM 184 C LYS A 13 5.543 2.052 -9.304 1.00 1.00 C ATOM 185 O LYS A 13 5.903 3.139 -9.754 1.00 1.00 O ATOM 186 CB LYS A 13 6.023 -0.435 -8.919 1.00 1.00 C ATOM 187 CG LYS A 13 5.768 -0.923 -10.346 1.00 1.00 C ATOM 188 CD LYS A 13 5.728 -2.452 -10.403 1.00 1.00 C ATOM 189 CE LYS A 13 5.277 -2.936 -11.782 1.00 1.00 C ATOM 190 NZ LYS A 13 5.281 -4.416 -11.838 1.00 1.00 N ATOM 0 H LYS A 13 8.030 0.866 -7.414 1.00 1.00 H new ATOM 0 HA LYS A 13 7.353 1.009 -9.683 1.00 1.00 H new ATOM 0 HB2 LYS A 13 6.727 -1.103 -8.423 1.00 1.00 H new ATOM 0 HB3 LYS A 13 5.095 -0.469 -8.348 1.00 1.00 H new ATOM 0 HG2 LYS A 13 4.824 -0.517 -10.710 1.00 1.00 H new ATOM 0 HG3 LYS A 13 6.551 -0.551 -11.007 1.00 1.00 H new ATOM 0 HD2 LYS A 13 6.716 -2.854 -10.177 1.00 1.00 H new ATOM 0 HD3 LYS A 13 5.048 -2.831 -9.640 1.00 1.00 H new ATOM 0 HE2 LYS A 13 4.276 -2.561 -11.997 1.00 1.00 H new ATOM 0 HE3 LYS A 13 5.939 -2.535 -12.549 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 4.438 -4.746 -12.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 6.136 -4.742 -12.332 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 5.272 -4.800 -10.872 1.00 1.00 H new ATOM 204 N TYR A 14 4.281 1.699 -9.112 1.00 1.00 N ATOM 205 CA TYR A 14 3.288 1.875 -10.159 1.00 1.00 C ATOM 206 C TYR A 14 3.953 1.981 -11.533 1.00 1.00 C ATOM 207 O TYR A 14 3.894 1.046 -12.329 1.00 1.00 O ATOM 208 CB TYR A 14 2.575 3.192 -9.847 1.00 1.00 C ATOM 209 CG TYR A 14 2.932 3.785 -8.482 1.00 1.00 C ATOM 210 CD1 TYR A 14 2.324 3.304 -7.341 1.00 1.00 C ATOM 211 CD2 TYR A 14 3.862 4.800 -8.393 1.00 1.00 C ATOM 212 CE1 TYR A 14 2.660 3.862 -6.056 1.00 1.00 C ATOM 213 CE2 TYR A 14 4.199 5.359 -7.109 1.00 1.00 C ATOM 214 CZ TYR A 14 3.581 4.862 -6.003 1.00 1.00 C ATOM 215 OH TYR A 14 3.898 5.388 -4.790 1.00 1.00 O ATOM 0 H TYR A 14 3.923 1.292 -8.248 1.00 1.00 H new ATOM 0 HA TYR A 14 2.605 1.026 -10.187 1.00 1.00 H new ATOM 0 HB2 TYR A 14 2.819 3.918 -10.622 1.00 1.00 H new ATOM 0 HB3 TYR A 14 1.498 3.029 -9.891 1.00 1.00 H new ATOM 0 HD1 TYR A 14 1.596 2.509 -7.411 1.00 1.00 H new ATOM 0 HD2 TYR A 14 4.338 5.176 -9.287 1.00 1.00 H new ATOM 0 HE1 TYR A 14 2.191 3.495 -5.155 1.00 1.00 H new ATOM 0 HE2 TYR A 14 4.925 6.154 -7.026 1.00 1.00 H new ATOM 0 HH TYR A 14 3.320 4.996 -4.102 1.00 1.00 H new ATOM 225 N GLU A 15 4.570 3.131 -11.768 1.00 1.00 N ATOM 226 CA GLU A 15 5.006 3.485 -13.109 1.00 1.00 C ATOM 227 C GLU A 15 3.930 3.116 -14.132 1.00 1.00 C ATOM 228 O GLU A 15 3.957 2.027 -14.703 1.00 1.00 O ATOM 229 CB GLU A 15 6.337 2.812 -13.448 1.00 1.00 C ATOM 230 CG GLU A 15 6.795 3.183 -14.861 1.00 1.00 C ATOM 231 CD GLU A 15 6.751 4.698 -15.071 1.00 1.00 C ATOM 232 OE1 GLU A 15 7.672 5.369 -14.558 1.00 1.00 O ATOM 233 OE2 GLU A 15 5.797 5.150 -15.741 1.00 1.00 O ATOM 0 H GLU A 15 4.778 3.828 -11.053 1.00 1.00 H new ATOM 0 HA GLU A 15 5.161 4.563 -13.146 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.095 3.113 -12.725 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.232 1.730 -13.368 1.00 1.00 H new ATOM 0 HG2 GLU A 15 7.809 2.819 -15.026 1.00 1.00 H new ATOM 0 HG3 GLU A 15 6.156 2.692 -15.595 1.00 1.00 H new ATOM 240 N CYS A 16 3.006 4.045 -14.332 1.00 1.00 N ATOM 241 CA CYS A 16 2.286 4.126 -15.592 1.00 1.00 C ATOM 242 C CYS A 16 2.266 5.588 -16.042 1.00 1.00 C ATOM 243 O CYS A 16 1.283 6.295 -15.827 1.00 1.00 O ATOM 244 CB CYS A 16 0.876 3.546 -15.475 1.00 1.00 C ATOM 245 SG CYS A 16 -0.166 4.313 -14.180 1.00 1.00 S ATOM 0 H CYS A 16 2.739 4.748 -13.643 1.00 1.00 H new ATOM 0 HA CYS A 16 2.795 3.523 -16.344 1.00 1.00 H new ATOM 0 HB2 CYS A 16 0.374 3.653 -16.436 1.00 1.00 H new ATOM 0 HB3 CYS A 16 0.954 2.478 -15.273 1.00 1.00 H new ATOM 250 N LEU A 17 3.366 5.999 -16.656 1.00 1.00 N ATOM 251 CA LEU A 17 3.415 7.293 -17.317 1.00 1.00 C ATOM 252 C LEU A 17 2.226 7.417 -18.272 1.00 1.00 C ATOM 253 O LEU A 17 1.774 6.424 -18.840 1.00 1.00 O ATOM 254 CB LEU A 17 4.772 7.497 -17.994 1.00 1.00 C ATOM 255 CG LEU A 17 5.096 6.547 -19.148 1.00 1.00 C ATOM 256 CD1 LEU A 17 4.746 7.181 -20.496 1.00 1.00 C ATOM 257 CD2 LEU A 17 6.555 6.092 -19.090 1.00 1.00 C ATOM 0 H LEU A 17 4.230 5.459 -16.710 1.00 1.00 H new ATOM 0 HA LEU A 17 3.324 8.098 -16.588 1.00 1.00 H new ATOM 0 HB2 LEU A 17 4.819 8.520 -18.368 1.00 1.00 H new ATOM 0 HB3 LEU A 17 5.551 7.398 -17.238 1.00 1.00 H new ATOM 0 HG LEU A 17 4.477 5.657 -19.041 1.00 1.00 H new ATOM 0 HD11 LEU A 17 4.986 6.484 -21.299 1.00 1.00 H new ATOM 0 HD12 LEU A 17 3.681 7.413 -20.523 1.00 1.00 H new ATOM 0 HD13 LEU A 17 5.321 8.098 -20.627 1.00 1.00 H new ATOM 0 HD21 LEU A 17 6.759 5.417 -19.922 1.00 1.00 H new ATOM 0 HD22 LEU A 17 7.210 6.961 -19.158 1.00 1.00 H new ATOM 0 HD23 LEU A 17 6.737 5.573 -18.149 1.00 1.00 H new ATOM 269 N LYS A 18 1.753 8.646 -18.419 1.00 1.00 N ATOM 270 CA LYS A 18 0.550 8.896 -19.196 1.00 1.00 C ATOM 271 C LYS A 18 -0.634 8.184 -18.538 1.00 1.00 C ATOM 272 O LYS A 18 -0.848 6.994 -18.762 1.00 1.00 O ATOM 273 CB LYS A 18 0.766 8.507 -20.660 1.00 1.00 C ATOM 274 CG LYS A 18 -0.361 9.046 -21.543 1.00 1.00 C ATOM 275 CD LYS A 18 -0.569 8.157 -22.770 1.00 1.00 C ATOM 276 CE LYS A 18 -1.312 6.873 -22.399 1.00 1.00 C ATOM 277 NZ LYS A 18 -2.653 7.190 -21.856 1.00 1.00 N ATOM 0 H LYS A 18 2.180 9.479 -18.014 1.00 1.00 H new ATOM 0 HA LYS A 18 0.317 9.961 -19.205 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.723 8.898 -21.006 1.00 1.00 H new ATOM 0 HB3 LYS A 18 0.814 7.422 -20.748 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -1.285 9.099 -20.967 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.125 10.061 -21.861 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -1.134 8.702 -23.526 1.00 1.00 H new ATOM 0 HD3 LYS A 18 0.396 7.908 -23.211 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -1.410 6.235 -23.278 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -0.737 6.313 -21.661 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -3.253 6.341 -21.894 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -2.562 7.506 -20.869 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -3.087 7.946 -22.423 1.00 1.00 H new ATOM 291 N LEU A 19 -1.369 8.943 -17.740 1.00 1.00 N ATOM 292 CA LEU A 19 -2.600 8.439 -17.152 1.00 1.00 C ATOM 293 C LEU A 19 -3.506 7.901 -18.262 1.00 1.00 C ATOM 294 O LEU A 19 -3.331 8.243 -19.430 1.00 1.00 O ATOM 295 CB LEU A 19 -3.259 9.513 -16.285 1.00 1.00 C ATOM 296 CG LEU A 19 -3.909 10.676 -17.037 1.00 1.00 C ATOM 297 CD1 LEU A 19 -5.183 11.142 -16.330 1.00 1.00 C ATOM 298 CD2 LEU A 19 -2.915 11.821 -17.241 1.00 1.00 C ATOM 0 H LEU A 19 -1.137 9.903 -17.486 1.00 1.00 H new ATOM 0 HA LEU A 19 -2.389 7.607 -16.480 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -4.019 9.036 -15.666 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -2.506 9.919 -15.609 1.00 1.00 H new ATOM 0 HG LEU A 19 -4.200 10.323 -18.026 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -5.625 11.969 -16.885 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -5.894 10.317 -16.280 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -4.939 11.472 -15.320 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -3.403 12.635 -17.778 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -2.571 12.181 -16.271 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -2.063 11.464 -17.819 1.00 1.00 H new ATOM 310 N GLY A 20 -4.455 7.070 -17.856 1.00 1.00 N ATOM 311 CA GLY A 20 -5.408 6.506 -18.797 1.00 1.00 C ATOM 312 C GLY A 20 -5.167 5.007 -18.988 1.00 1.00 C ATOM 313 O GLY A 20 -6.114 4.224 -19.027 1.00 1.00 O ATOM 0 H GLY A 20 -4.584 6.774 -16.889 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.423 6.672 -18.436 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -5.324 7.017 -19.756 1.00 1.00 H new ATOM 317 N ASP A 21 -3.896 4.654 -19.102 1.00 1.00 N ATOM 318 CA ASP A 21 -3.526 3.326 -19.563 1.00 1.00 C ATOM 319 C ASP A 21 -3.351 2.403 -18.356 1.00 1.00 C ATOM 320 O ASP A 21 -2.359 2.499 -17.635 1.00 1.00 O ATOM 321 CB ASP A 21 -2.203 3.359 -20.330 1.00 1.00 C ATOM 322 CG ASP A 21 -2.287 3.944 -21.741 1.00 1.00 C ATOM 323 OD1 ASP A 21 -3.295 4.632 -22.011 1.00 1.00 O ATOM 324 OD2 ASP A 21 -1.342 3.691 -22.519 1.00 1.00 O ATOM 0 H ASP A 21 -3.108 5.264 -18.883 1.00 1.00 H new ATOM 0 HA ASP A 21 -4.316 2.965 -20.222 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -1.482 3.939 -19.755 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -1.814 2.343 -20.397 1.00 1.00 H new ATOM 329 N ASN A 22 -4.329 1.529 -18.173 1.00 1.00 N ATOM 330 CA ASN A 22 -4.227 0.492 -17.160 1.00 1.00 C ATOM 331 C ASN A 22 -4.626 -0.853 -17.770 1.00 1.00 C ATOM 332 O ASN A 22 -5.801 -1.216 -17.766 1.00 1.00 O ATOM 333 CB ASN A 22 -5.166 0.776 -15.986 1.00 1.00 C ATOM 334 CG ASN A 22 -6.410 1.537 -16.450 1.00 1.00 C ATOM 335 OD1 ASN A 22 -6.490 2.751 -16.376 1.00 1.00 O ATOM 336 ND2 ASN A 22 -7.373 0.755 -16.931 1.00 1.00 N ATOM 0 H ASN A 22 -5.197 1.517 -18.709 1.00 1.00 H new ATOM 0 HA ASN A 22 -3.198 0.470 -16.802 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -5.463 -0.163 -15.518 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -4.641 1.358 -15.228 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -8.244 1.166 -17.266 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -7.240 -0.256 -16.964 1.00 1.00 H new ATOM 343 N ASP A 23 -3.625 -1.556 -18.280 1.00 1.00 N ATOM 344 CA ASP A 23 -3.665 -3.008 -18.302 1.00 1.00 C ATOM 345 C ASP A 23 -2.725 -3.556 -17.226 1.00 1.00 C ATOM 346 O ASP A 23 -3.127 -4.379 -16.405 1.00 1.00 O ATOM 347 CB ASP A 23 -3.203 -3.551 -19.655 1.00 1.00 C ATOM 348 CG ASP A 23 -3.029 -5.071 -19.716 1.00 1.00 C ATOM 349 OD1 ASP A 23 -1.926 -5.530 -19.352 1.00 1.00 O ATOM 350 OD2 ASP A 23 -4.004 -5.738 -20.127 1.00 1.00 O ATOM 0 H ASP A 23 -2.781 -1.147 -18.681 1.00 1.00 H new ATOM 0 HA ASP A 23 -4.694 -3.320 -18.121 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -3.925 -3.252 -20.415 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -2.254 -3.081 -19.914 1.00 1.00 H new ATOM 355 N TYR A 24 -1.490 -3.077 -17.266 1.00 1.00 N ATOM 356 CA TYR A 24 -0.445 -3.632 -16.421 1.00 1.00 C ATOM 357 C TYR A 24 -0.706 -3.315 -14.948 1.00 1.00 C ATOM 358 O TYR A 24 -0.231 -4.026 -14.064 1.00 1.00 O ATOM 359 CB TYR A 24 0.854 -2.950 -16.856 1.00 1.00 C ATOM 360 CG TYR A 24 1.224 -3.193 -18.321 1.00 1.00 C ATOM 361 CD1 TYR A 24 1.581 -4.458 -18.742 1.00 1.00 C ATOM 362 CD2 TYR A 24 1.202 -2.146 -19.221 1.00 1.00 C ATOM 363 CE1 TYR A 24 1.929 -4.686 -20.120 1.00 1.00 C ATOM 364 CE2 TYR A 24 1.551 -2.375 -20.599 1.00 1.00 C ATOM 365 CZ TYR A 24 1.897 -3.634 -20.980 1.00 1.00 C ATOM 366 OH TYR A 24 2.226 -3.849 -22.282 1.00 1.00 O ATOM 0 H TYR A 24 -1.189 -2.312 -17.870 1.00 1.00 H new ATOM 0 HA TYR A 24 -0.403 -4.716 -16.524 1.00 1.00 H new ATOM 0 HB2 TYR A 24 0.763 -1.877 -16.688 1.00 1.00 H new ATOM 0 HB3 TYR A 24 1.668 -3.304 -16.223 1.00 1.00 H new ATOM 0 HD1 TYR A 24 1.599 -5.277 -18.038 1.00 1.00 H new ATOM 0 HD2 TYR A 24 0.923 -1.156 -18.892 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.209 -5.671 -20.463 1.00 1.00 H new ATOM 0 HE2 TYR A 24 1.538 -1.566 -21.314 1.00 1.00 H new ATOM 0 HH TYR A 24 2.158 -3.008 -22.780 1.00 1.00 H new ATOM 376 N CYS A 25 -1.458 -2.247 -14.729 1.00 1.00 N ATOM 377 CA CYS A 25 -1.776 -1.819 -13.377 1.00 1.00 C ATOM 378 C CYS A 25 -2.921 -2.689 -12.855 1.00 1.00 C ATOM 379 O CYS A 25 -2.912 -3.105 -11.697 1.00 1.00 O ATOM 380 CB CYS A 25 -2.119 -0.330 -13.321 1.00 1.00 C ATOM 381 SG CYS A 25 -0.677 0.784 -13.141 1.00 1.00 S ATOM 0 H CYS A 25 -1.857 -1.665 -15.465 1.00 1.00 H new ATOM 0 HA CYS A 25 -0.903 -1.947 -12.737 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.657 -0.061 -14.230 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -2.799 -0.159 -12.486 1.00 1.00 H new ATOM 386 N LEU A 26 -3.881 -2.938 -13.734 1.00 1.00 N ATOM 387 CA LEU A 26 -4.894 -3.946 -13.470 1.00 1.00 C ATOM 388 C LEU A 26 -4.212 -5.260 -13.085 1.00 1.00 C ATOM 389 O LEU A 26 -4.595 -5.899 -12.107 1.00 1.00 O ATOM 390 CB LEU A 26 -5.845 -4.074 -14.662 1.00 1.00 C ATOM 391 CG LEU A 26 -7.334 -4.156 -14.325 1.00 1.00 C ATOM 392 CD1 LEU A 26 -8.192 -3.918 -15.570 1.00 1.00 C ATOM 393 CD2 LEU A 26 -7.671 -5.483 -13.642 1.00 1.00 C ATOM 0 H LEU A 26 -3.979 -2.459 -14.629 1.00 1.00 H new ATOM 0 HA LEU A 26 -5.515 -3.649 -12.625 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -5.688 -3.219 -15.320 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -5.571 -4.965 -15.226 1.00 1.00 H new ATOM 0 HG LEU A 26 -7.567 -3.362 -13.616 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -9.247 -3.982 -15.303 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -7.979 -2.928 -15.975 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -7.962 -4.674 -16.321 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -8.736 -5.514 -13.414 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -7.418 -6.309 -14.307 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -7.099 -5.572 -12.718 1.00 1.00 H new ATOM 405 N ARG A 27 -3.210 -5.624 -13.873 1.00 1.00 N ATOM 406 CA ARG A 27 -2.496 -6.869 -13.650 1.00 1.00 C ATOM 407 C ARG A 27 -1.726 -6.809 -12.329 1.00 1.00 C ATOM 408 O ARG A 27 -1.701 -7.781 -11.576 1.00 1.00 O ATOM 409 CB ARG A 27 -1.518 -7.156 -14.791 1.00 1.00 C ATOM 410 CG ARG A 27 -2.257 -7.659 -16.033 1.00 1.00 C ATOM 411 CD ARG A 27 -2.654 -9.128 -15.877 1.00 1.00 C ATOM 412 NE ARG A 27 -1.467 -9.938 -15.523 1.00 1.00 N ATOM 413 CZ ARG A 27 -0.457 -10.199 -16.364 1.00 1.00 C ATOM 414 NH1 ARG A 27 -0.551 -9.848 -17.654 1.00 1.00 N ATOM 415 NH2 ARG A 27 0.647 -10.812 -15.916 1.00 1.00 N ATOM 0 H ARG A 27 -2.876 -5.078 -14.667 1.00 1.00 H new ATOM 0 HA ARG A 27 -3.233 -7.671 -13.609 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -0.963 -6.250 -15.036 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -0.789 -7.900 -14.471 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -3.148 -7.054 -16.201 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -1.622 -7.541 -16.911 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -3.416 -9.227 -15.104 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -3.092 -9.496 -16.805 1.00 1.00 H new ATOM 0 HE ARG A 27 -1.414 -10.322 -14.579 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -1.392 -9.382 -17.996 1.00 1.00 H new ATOM 0 HH12 ARG A 27 0.218 -10.047 -18.294 1.00 1.00 H new ATOM 0 HH21 ARG A 27 0.719 -11.080 -14.934 1.00 1.00 H new ATOM 0 HH22 ARG A 27 1.416 -11.011 -16.556 1.00 1.00 H new ATOM 429 N GLU A 28 -1.115 -5.658 -12.090 1.00 1.00 N ATOM 430 CA GLU A 28 -0.326 -5.466 -10.884 1.00 1.00 C ATOM 431 C GLU A 28 -1.186 -5.705 -9.643 1.00 1.00 C ATOM 432 O GLU A 28 -0.836 -6.515 -8.787 1.00 1.00 O ATOM 433 CB GLU A 28 0.303 -4.072 -10.857 1.00 1.00 C ATOM 434 CG GLU A 28 1.517 -4.036 -9.926 1.00 1.00 C ATOM 435 CD GLU A 28 2.730 -4.700 -10.581 1.00 1.00 C ATOM 436 OE1 GLU A 28 2.702 -4.836 -11.823 1.00 1.00 O ATOM 437 OE2 GLU A 28 3.658 -5.059 -9.824 1.00 1.00 O ATOM 0 H GLU A 28 -1.150 -4.849 -12.710 1.00 1.00 H new ATOM 0 HA GLU A 28 0.485 -6.194 -10.884 1.00 1.00 H new ATOM 0 HB2 GLU A 28 0.604 -3.786 -11.865 1.00 1.00 H new ATOM 0 HB3 GLU A 28 -0.436 -3.342 -10.526 1.00 1.00 H new ATOM 0 HG2 GLU A 28 1.756 -3.003 -9.674 1.00 1.00 H new ATOM 0 HG3 GLU A 28 1.279 -4.546 -8.992 1.00 1.00 H new ATOM 444 N CYS A 29 -2.297 -4.984 -9.584 1.00 1.00 N ATOM 445 CA CYS A 29 -3.209 -5.105 -8.460 1.00 1.00 C ATOM 446 C CYS A 29 -3.599 -6.577 -8.315 1.00 1.00 C ATOM 447 O CYS A 29 -3.716 -7.085 -7.201 1.00 1.00 O ATOM 448 CB CYS A 29 -4.434 -4.203 -8.625 1.00 1.00 C ATOM 449 SG CYS A 29 -5.007 -3.396 -7.087 1.00 1.00 S ATOM 0 H CYS A 29 -2.586 -4.314 -10.297 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.714 -4.770 -7.549 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.203 -3.431 -9.359 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -5.252 -4.796 -9.033 1.00 1.00 H new ATOM 454 N LYS A 30 -3.792 -7.221 -9.457 1.00 1.00 N ATOM 455 CA LYS A 30 -4.265 -8.595 -9.471 1.00 1.00 C ATOM 456 C LYS A 30 -3.204 -9.502 -8.845 1.00 1.00 C ATOM 457 O LYS A 30 -3.515 -10.331 -7.991 1.00 1.00 O ATOM 458 CB LYS A 30 -4.669 -9.008 -10.887 1.00 1.00 C ATOM 459 CG LYS A 30 -5.756 -10.083 -10.856 1.00 1.00 C ATOM 460 CD LYS A 30 -6.526 -10.125 -12.178 1.00 1.00 C ATOM 461 CE LYS A 30 -7.647 -11.164 -12.128 1.00 1.00 C ATOM 462 NZ LYS A 30 -8.456 -11.115 -13.367 1.00 1.00 N ATOM 0 H LYS A 30 -3.629 -6.817 -10.379 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.166 -8.694 -8.866 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -5.029 -8.137 -11.435 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -3.797 -9.383 -11.423 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.304 -11.056 -10.663 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.446 -9.884 -10.036 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -6.946 -9.142 -12.389 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -5.842 -10.362 -12.993 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -7.222 -12.160 -12.003 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -8.284 -10.979 -11.263 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -9.212 -11.827 -13.316 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -8.877 -10.169 -13.470 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -7.848 -11.314 -14.187 1.00 1.00 H new ATOM 476 N GLN A 31 -1.972 -9.314 -9.293 1.00 1.00 N ATOM 477 CA GLN A 31 -0.880 -10.173 -8.866 1.00 1.00 C ATOM 478 C GLN A 31 0.034 -9.426 -7.893 1.00 1.00 C ATOM 479 O GLN A 31 1.256 -9.477 -8.021 1.00 1.00 O ATOM 480 CB GLN A 31 -0.091 -10.695 -10.068 1.00 1.00 C ATOM 481 CG GLN A 31 -1.012 -11.406 -11.062 1.00 1.00 C ATOM 482 CD GLN A 31 -0.235 -11.865 -12.298 1.00 1.00 C ATOM 483 OE1 GLN A 31 -0.314 -11.282 -13.365 1.00 1.00 O ATOM 484 NE2 GLN A 31 0.518 -12.943 -12.093 1.00 1.00 N ATOM 0 H GLN A 31 -1.705 -8.579 -9.948 1.00 1.00 H new ATOM 0 HA GLN A 31 -1.302 -11.034 -8.348 1.00 1.00 H new ATOM 0 HB2 GLN A 31 0.414 -9.866 -10.564 1.00 1.00 H new ATOM 0 HB3 GLN A 31 0.683 -11.383 -9.728 1.00 1.00 H new ATOM 0 HG2 GLN A 31 -1.478 -12.266 -10.581 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -1.816 -10.735 -11.362 1.00 1.00 H new ATOM 0 HE21 GLN A 31 0.539 -13.383 -11.173 1.00 1.00 H new ATOM 0 HE22 GLN A 31 1.075 -13.329 -12.856 1.00 1.00 H new ATOM 493 N GLN A 32 -0.594 -8.750 -6.942 1.00 1.00 N ATOM 494 CA GLN A 32 0.132 -8.204 -5.808 1.00 1.00 C ATOM 495 C GLN A 32 -0.841 -7.806 -4.696 1.00 1.00 C ATOM 496 O GLN A 32 -0.465 -7.753 -3.526 1.00 1.00 O ATOM 497 CB GLN A 32 0.997 -7.016 -6.231 1.00 1.00 C ATOM 498 CG GLN A 32 0.203 -5.710 -6.167 1.00 1.00 C ATOM 499 CD GLN A 32 0.540 -4.923 -4.898 1.00 1.00 C ATOM 500 OE1 GLN A 32 0.065 -5.213 -3.813 1.00 1.00 O ATOM 501 NE2 GLN A 32 1.385 -3.916 -5.095 1.00 1.00 N ATOM 0 H GLN A 32 -1.598 -8.568 -6.934 1.00 1.00 H new ATOM 0 HA GLN A 32 0.798 -8.976 -5.422 1.00 1.00 H new ATOM 0 HB2 GLN A 32 1.870 -6.947 -5.582 1.00 1.00 H new ATOM 0 HB3 GLN A 32 1.366 -7.173 -7.245 1.00 1.00 H new ATOM 0 HG2 GLN A 32 0.424 -5.103 -7.045 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -0.865 -5.928 -6.191 1.00 1.00 H new ATOM 0 HE21 GLN A 32 1.745 -3.728 -6.031 1.00 1.00 H new ATOM 0 HE22 GLN A 32 1.673 -3.331 -4.311 1.00 1.00 H new ATOM 510 N TYR A 33 -2.074 -7.538 -5.101 1.00 1.00 N ATOM 511 CA TYR A 33 -3.202 -7.654 -4.192 1.00 1.00 C ATOM 512 C TYR A 33 -4.315 -8.506 -4.807 1.00 1.00 C ATOM 513 O TYR A 33 -5.397 -8.001 -5.102 1.00 1.00 O ATOM 514 CB TYR A 33 -3.723 -6.232 -3.981 1.00 1.00 C ATOM 515 CG TYR A 33 -2.964 -5.445 -2.910 1.00 1.00 C ATOM 516 CD1 TYR A 33 -2.714 -6.018 -1.680 1.00 1.00 C ATOM 517 CD2 TYR A 33 -2.531 -4.162 -3.175 1.00 1.00 C ATOM 518 CE1 TYR A 33 -1.999 -5.278 -0.673 1.00 1.00 C ATOM 519 CE2 TYR A 33 -1.817 -3.421 -2.167 1.00 1.00 C ATOM 520 CZ TYR A 33 -1.587 -4.016 -0.965 1.00 1.00 C ATOM 521 OH TYR A 33 -0.912 -3.317 -0.014 1.00 1.00 O ATOM 0 H TYR A 33 -2.317 -7.241 -6.046 1.00 1.00 H new ATOM 0 HA TYR A 33 -2.896 -8.129 -3.260 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.665 -5.691 -4.925 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -4.776 -6.279 -3.705 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -3.055 -7.022 -1.473 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -2.727 -3.714 -4.138 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -1.795 -5.716 0.293 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -1.472 -2.416 -2.361 1.00 1.00 H new ATOM 0 HH TYR A 33 -0.930 -2.362 -0.235 1.00 1.00 H new ATOM 531 N GLY A 34 -4.012 -9.783 -4.983 1.00 1.00 N ATOM 532 CA GLY A 34 -5.039 -10.810 -4.940 1.00 1.00 C ATOM 533 C GLY A 34 -5.744 -10.937 -6.291 1.00 1.00 C ATOM 534 O GLY A 34 -6.072 -9.934 -6.922 1.00 1.00 O ATOM 0 H GLY A 34 -3.069 -10.131 -5.156 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -4.591 -11.766 -4.668 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -5.768 -10.568 -4.167 1.00 1.00 H new ATOM 538 N LYS A 35 -5.957 -12.181 -6.697 1.00 1.00 N ATOM 539 CA LYS A 35 -6.528 -12.454 -8.005 1.00 1.00 C ATOM 540 C LYS A 35 -8.035 -12.191 -7.964 1.00 1.00 C ATOM 541 O LYS A 35 -8.834 -13.120 -8.069 1.00 1.00 O ATOM 542 CB LYS A 35 -6.162 -13.868 -8.464 1.00 1.00 C ATOM 543 CG LYS A 35 -4.661 -13.984 -8.740 1.00 1.00 C ATOM 544 CD LYS A 35 -4.237 -15.449 -8.855 1.00 1.00 C ATOM 545 CE LYS A 35 -4.832 -16.095 -10.107 1.00 1.00 C ATOM 546 NZ LYS A 35 -4.245 -17.436 -10.327 1.00 1.00 N ATOM 0 H LYS A 35 -5.744 -13.011 -6.143 1.00 1.00 H new ATOM 0 HA LYS A 35 -6.107 -11.782 -8.753 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -6.451 -14.589 -7.699 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -6.721 -14.118 -9.365 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -4.415 -13.457 -9.662 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -4.102 -13.502 -7.938 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -3.150 -15.515 -8.889 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -4.562 -15.996 -7.970 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -5.914 -16.178 -10.002 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -4.644 -15.462 -10.974 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -4.660 -17.861 -11.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -3.216 -17.349 -10.449 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -4.446 -18.042 -9.506 1.00 1.00 H new ATOM 560 N GLY A 36 -8.376 -10.920 -7.812 1.00 1.00 N ATOM 561 CA GLY A 36 -9.699 -10.451 -8.190 1.00 1.00 C ATOM 562 C GLY A 36 -9.812 -8.935 -8.019 1.00 1.00 C ATOM 563 O GLY A 36 -10.872 -8.424 -7.660 1.00 1.00 O ATOM 0 H GLY A 36 -7.760 -10.201 -7.433 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -9.902 -10.720 -9.227 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -10.453 -10.947 -7.579 1.00 1.00 H new ATOM 567 N ALA A 37 -8.705 -8.257 -8.285 1.00 1.00 N ATOM 568 CA ALA A 37 -8.602 -6.841 -7.977 1.00 1.00 C ATOM 569 C ALA A 37 -8.670 -6.035 -9.276 1.00 1.00 C ATOM 570 O ALA A 37 -8.783 -6.606 -10.360 1.00 1.00 O ATOM 571 CB ALA A 37 -7.312 -6.581 -7.197 1.00 1.00 C ATOM 0 H ALA A 37 -7.871 -8.662 -8.711 1.00 1.00 H new ATOM 0 HA ALA A 37 -9.433 -6.523 -7.348 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -7.234 -5.519 -6.966 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -7.326 -7.154 -6.270 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -6.455 -6.885 -7.799 1.00 1.00 H new ATOM 577 N GLY A 38 -8.599 -4.721 -9.124 1.00 1.00 N ATOM 578 CA GLY A 38 -8.684 -3.829 -10.268 1.00 1.00 C ATOM 579 C GLY A 38 -8.319 -2.396 -9.876 1.00 1.00 C ATOM 580 O GLY A 38 -8.029 -2.123 -8.712 1.00 1.00 O ATOM 0 H GLY A 38 -8.484 -4.252 -8.226 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -8.014 -4.176 -11.055 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -9.694 -3.852 -10.677 1.00 1.00 H new ATOM 584 N GLY A 39 -8.344 -1.520 -10.868 1.00 1.00 N ATOM 585 CA GLY A 39 -7.762 -0.198 -10.715 1.00 1.00 C ATOM 586 C GLY A 39 -7.769 0.562 -12.043 1.00 1.00 C ATOM 587 O GLY A 39 -8.347 0.098 -13.025 1.00 1.00 O ATOM 0 H GLY A 39 -8.759 -1.700 -11.782 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -8.321 0.365 -9.967 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.739 -0.287 -10.349 1.00 1.00 H new ATOM 591 N TYR A 40 -7.122 1.718 -12.030 1.00 1.00 N ATOM 592 CA TYR A 40 -6.785 2.401 -13.268 1.00 1.00 C ATOM 593 C TYR A 40 -5.621 3.372 -13.059 1.00 1.00 C ATOM 594 O TYR A 40 -5.251 3.666 -11.924 1.00 1.00 O ATOM 595 CB TYR A 40 -8.031 3.195 -13.664 1.00 1.00 C ATOM 596 CG TYR A 40 -8.838 3.721 -12.476 1.00 1.00 C ATOM 597 CD1 TYR A 40 -8.406 4.838 -11.789 1.00 1.00 C ATOM 598 CD2 TYR A 40 -9.998 3.081 -12.091 1.00 1.00 C ATOM 599 CE1 TYR A 40 -9.164 5.333 -10.670 1.00 1.00 C ATOM 600 CE2 TYR A 40 -10.757 3.576 -10.973 1.00 1.00 C ATOM 601 CZ TYR A 40 -10.302 4.678 -10.317 1.00 1.00 C ATOM 602 OH TYR A 40 -11.020 5.147 -9.261 1.00 1.00 O ATOM 0 H TYR A 40 -6.822 2.199 -11.182 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.485 1.684 -14.033 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -7.730 4.037 -14.287 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.674 2.561 -14.275 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.499 5.340 -12.091 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -10.337 2.208 -12.629 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -8.836 6.205 -10.123 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -11.667 3.084 -10.662 1.00 1.00 H new ATOM 0 HH TYR A 40 -10.542 4.953 -8.428 1.00 1.00 H new ATOM 612 N CYS A 41 -5.078 3.842 -14.172 1.00 1.00 N ATOM 613 CA CYS A 41 -3.914 4.711 -14.128 1.00 1.00 C ATOM 614 C CYS A 41 -4.400 6.160 -14.029 1.00 1.00 C ATOM 615 O CYS A 41 -4.873 6.727 -15.013 1.00 1.00 O ATOM 616 CB CYS A 41 -3.001 4.496 -15.336 1.00 1.00 C ATOM 617 SG CYS A 41 -1.439 5.448 -15.296 1.00 1.00 S ATOM 0 H CYS A 41 -5.422 3.638 -15.110 1.00 1.00 H new ATOM 0 HA CYS A 41 -3.310 4.471 -13.253 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -2.762 3.435 -15.409 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -3.549 4.762 -16.240 1.00 1.00 H new ATOM 622 N TYR A 42 -4.266 6.714 -12.834 1.00 1.00 N ATOM 623 CA TYR A 42 -4.384 8.153 -12.660 1.00 1.00 C ATOM 624 C TYR A 42 -3.067 8.855 -12.994 1.00 1.00 C ATOM 625 O TYR A 42 -2.204 8.282 -13.657 1.00 1.00 O ATOM 626 CB TYR A 42 -4.705 8.373 -11.180 1.00 1.00 C ATOM 627 CG TYR A 42 -6.024 9.108 -10.933 1.00 1.00 C ATOM 628 CD1 TYR A 42 -6.369 10.189 -11.718 1.00 1.00 C ATOM 629 CD2 TYR A 42 -6.867 8.691 -9.923 1.00 1.00 C ATOM 630 CE1 TYR A 42 -7.610 10.881 -11.485 1.00 1.00 C ATOM 631 CE2 TYR A 42 -8.108 9.383 -9.690 1.00 1.00 C ATOM 632 CZ TYR A 42 -8.419 10.444 -10.482 1.00 1.00 C ATOM 633 OH TYR A 42 -9.591 11.097 -10.262 1.00 1.00 O ATOM 0 H TYR A 42 -4.077 6.194 -11.977 1.00 1.00 H new ATOM 0 HA TYR A 42 -5.152 8.558 -13.319 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -4.740 7.406 -10.679 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -3.894 8.940 -10.723 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -5.708 10.516 -12.507 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -6.596 7.846 -9.308 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -7.892 11.728 -12.093 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -8.777 9.066 -8.904 1.00 1.00 H new ATOM 0 HH TYR A 42 -10.066 10.675 -9.516 1.00 1.00 H new ATOM 643 N ALA A 43 -2.954 10.087 -12.519 1.00 1.00 N ATOM 644 CA ALA A 43 -1.788 10.902 -12.821 1.00 1.00 C ATOM 645 C ALA A 43 -0.520 10.124 -12.458 1.00 1.00 C ATOM 646 O ALA A 43 -0.007 10.253 -11.347 1.00 1.00 O ATOM 647 CB ALA A 43 -1.889 12.233 -12.076 1.00 1.00 C ATOM 0 H ALA A 43 -3.650 10.541 -11.927 1.00 1.00 H new ATOM 0 HA ALA A 43 -1.743 11.128 -13.886 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -1.015 12.844 -12.302 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -2.791 12.759 -12.391 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -1.934 12.047 -11.003 1.00 1.00 H new ATOM 653 N PHE A 44 -0.054 9.336 -13.414 1.00 1.00 N ATOM 654 CA PHE A 44 1.268 8.739 -13.313 1.00 1.00 C ATOM 655 C PHE A 44 1.368 7.835 -12.083 1.00 1.00 C ATOM 656 O PHE A 44 2.457 7.623 -11.552 1.00 1.00 O ATOM 657 CB PHE A 44 2.267 9.887 -13.170 1.00 1.00 C ATOM 658 CG PHE A 44 1.968 11.089 -14.069 1.00 1.00 C ATOM 659 CD1 PHE A 44 1.728 10.903 -15.394 1.00 1.00 C ATOM 660 CD2 PHE A 44 1.943 12.343 -13.542 1.00 1.00 C ATOM 661 CE1 PHE A 44 1.451 12.019 -16.229 1.00 1.00 C ATOM 662 CE2 PHE A 44 1.665 13.458 -14.376 1.00 1.00 C ATOM 663 CZ PHE A 44 1.425 13.272 -15.702 1.00 1.00 C ATOM 0 H PHE A 44 -0.567 9.096 -14.262 1.00 1.00 H new ATOM 0 HA PHE A 44 1.471 8.131 -14.195 1.00 1.00 H new ATOM 0 HB2 PHE A 44 2.279 10.217 -12.131 1.00 1.00 H new ATOM 0 HB3 PHE A 44 3.266 9.516 -13.398 1.00 1.00 H new ATOM 0 HD1 PHE A 44 1.748 9.907 -15.812 1.00 1.00 H new ATOM 0 HD2 PHE A 44 2.135 12.490 -12.489 1.00 1.00 H new ATOM 0 HE1 PHE A 44 1.261 11.872 -17.282 1.00 1.00 H new ATOM 0 HE2 PHE A 44 1.644 14.453 -13.958 1.00 1.00 H new ATOM 0 HZ PHE A 44 1.214 14.120 -16.336 1.00 1.00 H new ATOM 673 N ALA A 45 0.218 7.323 -11.669 1.00 1.00 N ATOM 674 CA ALA A 45 0.187 6.242 -10.699 1.00 1.00 C ATOM 675 C ALA A 45 -1.262 5.795 -10.487 1.00 1.00 C ATOM 676 O ALA A 45 -2.194 6.556 -10.744 1.00 1.00 O ATOM 677 CB ALA A 45 0.851 6.701 -9.399 1.00 1.00 C ATOM 0 H ALA A 45 -0.699 7.637 -11.988 1.00 1.00 H new ATOM 0 HA ALA A 45 0.748 5.382 -11.065 1.00 1.00 H new ATOM 0 HB1 ALA A 45 0.827 5.889 -8.672 1.00 1.00 H new ATOM 0 HB2 ALA A 45 1.886 6.980 -9.598 1.00 1.00 H new ATOM 0 HB3 ALA A 45 0.314 7.561 -9.000 1.00 1.00 H new ATOM 683 N CYS A 46 -1.405 4.563 -10.021 1.00 1.00 N ATOM 684 CA CYS A 46 -2.572 3.766 -10.361 1.00 1.00 C ATOM 685 C CYS A 46 -3.414 3.585 -9.097 1.00 1.00 C ATOM 686 O CYS A 46 -2.952 3.002 -8.116 1.00 1.00 O ATOM 687 CB CYS A 46 -2.178 2.424 -10.981 1.00 1.00 C ATOM 688 SG CYS A 46 -1.326 2.546 -12.597 1.00 1.00 S ATOM 0 H CYS A 46 -0.733 4.097 -9.411 1.00 1.00 H new ATOM 0 HA CYS A 46 -3.161 4.283 -11.118 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -1.530 1.894 -10.283 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -3.076 1.819 -11.104 1.00 1.00 H new ATOM 693 N TRP A 47 -4.635 4.096 -9.159 1.00 1.00 N ATOM 694 CA TRP A 47 -5.568 3.942 -8.056 1.00 1.00 C ATOM 695 C TRP A 47 -6.263 2.588 -8.209 1.00 1.00 C ATOM 696 O TRP A 47 -6.930 2.340 -9.213 1.00 1.00 O ATOM 697 CB TRP A 47 -6.549 5.116 -8.000 1.00 1.00 C ATOM 698 CG TRP A 47 -7.649 4.957 -6.949 1.00 1.00 C ATOM 699 CD1 TRP A 47 -8.624 4.038 -6.908 1.00 1.00 C ATOM 700 CD2 TRP A 47 -7.849 5.782 -5.782 1.00 1.00 C ATOM 701 NE1 TRP A 47 -9.435 4.210 -5.805 1.00 1.00 N ATOM 702 CE2 TRP A 47 -8.949 5.304 -5.098 1.00 1.00 C ATOM 703 CE3 TRP A 47 -7.125 6.894 -5.320 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -9.421 5.878 -3.912 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -7.610 7.457 -4.133 1.00 1.00 C ATOM 706 CH2 TRP A 47 -8.716 6.988 -3.432 1.00 1.00 C ATOM 0 H TRP A 47 -5.000 4.617 -9.956 1.00 1.00 H new ATOM 0 HA TRP A 47 -5.042 3.956 -7.101 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.994 6.031 -7.794 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -7.011 5.237 -8.980 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.758 3.261 -7.646 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -10.243 3.639 -5.554 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -6.262 7.284 -5.840 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -10.284 5.485 -3.394 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -7.089 8.315 -3.734 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -9.029 7.478 -2.522 1.00 1.00 H new ATOM 717 N CYS A 48 -6.086 1.749 -7.200 1.00 1.00 N ATOM 718 CA CYS A 48 -6.753 0.459 -7.173 1.00 1.00 C ATOM 719 C CYS A 48 -8.092 0.626 -6.451 1.00 1.00 C ATOM 720 O CYS A 48 -8.215 1.451 -5.547 1.00 1.00 O ATOM 721 CB CYS A 48 -5.882 -0.615 -6.517 1.00 1.00 C ATOM 722 SG CYS A 48 -4.664 -1.402 -7.634 1.00 1.00 S ATOM 0 H CYS A 48 -5.490 1.937 -6.394 1.00 1.00 H new ATOM 0 HA CYS A 48 -6.930 0.117 -8.193 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -5.349 -0.168 -5.678 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -6.531 -1.389 -6.107 1.00 1.00 H new ATOM 727 N THR A 49 -9.061 -0.170 -6.878 1.00 1.00 N ATOM 728 CA THR A 49 -10.435 0.029 -6.451 1.00 1.00 C ATOM 729 C THR A 49 -11.217 -1.283 -6.542 1.00 1.00 C ATOM 730 O THR A 49 -12.357 -1.300 -7.005 1.00 1.00 O ATOM 731 CB THR A 49 -11.036 1.154 -7.296 1.00 1.00 C ATOM 732 OG1 THR A 49 -12.421 1.140 -6.960 1.00 1.00 O ATOM 733 CG2 THR A 49 -11.014 0.837 -8.793 1.00 1.00 C ATOM 0 H THR A 49 -8.922 -0.954 -7.515 1.00 1.00 H new ATOM 0 HA THR A 49 -10.484 0.329 -5.404 1.00 1.00 H new ATOM 0 HB THR A 49 -10.488 2.078 -7.111 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.843 0.343 -7.343 1.00 1.00 H new ATOM 0 HG21 THR A 49 -11.452 1.667 -9.347 1.00 1.00 H new ATOM 0 HG22 THR A 49 -9.985 0.686 -9.118 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.590 -0.069 -8.982 1.00 1.00 H new ATOM 741 N HIS A 50 -10.574 -2.350 -6.093 1.00 1.00 N ATOM 742 CA HIS A 50 -11.291 -3.564 -5.742 1.00 1.00 C ATOM 743 C HIS A 50 -10.515 -4.325 -4.665 1.00 1.00 C ATOM 744 O HIS A 50 -10.002 -5.414 -4.917 1.00 1.00 O ATOM 745 CB HIS A 50 -11.565 -4.412 -6.985 1.00 1.00 C ATOM 746 CG HIS A 50 -12.697 -3.897 -7.843 1.00 1.00 C ATOM 747 ND1 HIS A 50 -14.022 -3.952 -7.447 1.00 1.00 N ATOM 748 CD2 HIS A 50 -12.687 -3.316 -9.076 1.00 1.00 C ATOM 749 CE1 HIS A 50 -14.768 -3.427 -8.408 1.00 1.00 C ATOM 750 NE2 HIS A 50 -13.938 -3.033 -9.417 1.00 1.00 N ATOM 0 H HIS A 50 -9.563 -2.399 -5.964 1.00 1.00 H new ATOM 0 HA HIS A 50 -12.265 -3.307 -5.326 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -10.658 -4.458 -7.588 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -11.793 -5.431 -6.674 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -11.810 -3.119 -9.674 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -15.843 -3.328 -8.395 1.00 1.00 H new ATOM 0 HE2 HIS A 50 -14.231 -2.593 -10.290 1.00 1.00 H new ATOM 758 N LEU A 51 -10.455 -3.722 -3.486 1.00 1.00 N ATOM 759 CA LEU A 51 -9.477 -4.123 -2.490 1.00 1.00 C ATOM 760 C LEU A 51 -10.198 -4.471 -1.185 1.00 1.00 C ATOM 761 O LEU A 51 -11.404 -4.262 -1.063 1.00 1.00 O ATOM 762 CB LEU A 51 -8.403 -3.045 -2.330 1.00 1.00 C ATOM 763 CG LEU A 51 -7.507 -2.806 -3.548 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.667 -1.540 -3.369 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.641 -4.032 -3.842 1.00 1.00 C ATOM 0 H LEU A 51 -11.068 -2.959 -3.199 1.00 1.00 H new ATOM 0 HA LEU A 51 -8.950 -5.021 -2.813 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -8.894 -2.106 -2.075 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.770 -3.314 -1.485 1.00 1.00 H new ATOM 0 HG LEU A 51 -8.146 -2.649 -4.417 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -6.039 -1.393 -4.248 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -7.326 -0.681 -3.246 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -6.036 -1.644 -2.486 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -6.015 -3.835 -4.712 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -6.009 -4.246 -2.980 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -7.282 -4.890 -4.044 1.00 1.00 H new ATOM 777 N TYR A 52 -9.428 -4.996 -0.244 1.00 1.00 N ATOM 778 CA TYR A 52 -9.914 -5.156 1.117 1.00 1.00 C ATOM 779 C TYR A 52 -9.251 -4.151 2.059 1.00 1.00 C ATOM 780 O TYR A 52 -8.338 -3.430 1.660 1.00 1.00 O ATOM 781 CB TYR A 52 -9.519 -6.572 1.541 1.00 1.00 C ATOM 782 CG TYR A 52 -8.400 -7.185 0.697 1.00 1.00 C ATOM 783 CD1 TYR A 52 -8.706 -7.874 -0.460 1.00 1.00 C ATOM 784 CD2 TYR A 52 -7.085 -7.049 1.091 1.00 1.00 C ATOM 785 CE1 TYR A 52 -7.653 -8.451 -1.254 1.00 1.00 C ATOM 786 CE2 TYR A 52 -6.031 -7.626 0.296 1.00 1.00 C ATOM 787 CZ TYR A 52 -6.367 -8.298 -0.837 1.00 1.00 C ATOM 788 OH TYR A 52 -5.372 -8.843 -1.587 1.00 1.00 O ATOM 0 H TYR A 52 -8.472 -5.316 -0.396 1.00 1.00 H new ATOM 0 HA TYR A 52 -10.990 -4.990 1.162 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -9.204 -6.553 2.584 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -10.397 -7.215 1.484 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -9.735 -7.980 -0.769 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -6.845 -6.510 1.996 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -7.879 -8.993 -2.160 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -4.997 -7.527 0.593 1.00 1.00 H new ATOM 0 HH TYR A 52 -4.506 -8.654 -1.169 1.00 1.00 H new ATOM 798 N GLU A 53 -9.735 -4.134 3.292 1.00 1.00 N ATOM 799 CA GLU A 53 -9.313 -3.126 4.249 1.00 1.00 C ATOM 800 C GLU A 53 -7.796 -3.184 4.447 1.00 1.00 C ATOM 801 O GLU A 53 -7.178 -2.194 4.834 1.00 1.00 O ATOM 802 CB GLU A 53 -10.047 -3.293 5.582 1.00 1.00 C ATOM 803 CG GLU A 53 -9.797 -4.681 6.174 1.00 1.00 C ATOM 804 CD GLU A 53 -10.987 -5.608 5.918 1.00 1.00 C ATOM 805 OE1 GLU A 53 -11.122 -6.050 4.757 1.00 1.00 O ATOM 806 OE2 GLU A 53 -11.734 -5.854 6.889 1.00 1.00 O ATOM 0 H GLU A 53 -10.416 -4.803 3.651 1.00 1.00 H new ATOM 0 HA GLU A 53 -9.571 -2.145 3.851 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -9.713 -2.529 6.284 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -11.117 -3.144 5.434 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -8.896 -5.110 5.736 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -9.621 -4.597 7.246 1.00 1.00 H new ATOM 813 N GLN A 54 -7.241 -4.356 4.173 1.00 1.00 N ATOM 814 CA GLN A 54 -5.819 -4.575 4.379 1.00 1.00 C ATOM 815 C GLN A 54 -5.113 -4.776 3.036 1.00 1.00 C ATOM 816 O GLN A 54 -4.294 -5.681 2.891 1.00 1.00 O ATOM 817 CB GLN A 54 -5.577 -5.766 5.308 1.00 1.00 C ATOM 818 CG GLN A 54 -5.620 -5.334 6.775 1.00 1.00 C ATOM 819 CD GLN A 54 -5.623 -6.550 7.705 1.00 1.00 C ATOM 820 OE1 GLN A 54 -4.601 -6.967 8.226 1.00 1.00 O ATOM 821 NE2 GLN A 54 -6.824 -7.093 7.882 1.00 1.00 N ATOM 0 H GLN A 54 -7.749 -5.163 3.811 1.00 1.00 H new ATOM 0 HA GLN A 54 -5.401 -3.690 4.859 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -6.332 -6.531 5.128 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -4.609 -6.215 5.085 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -4.759 -4.704 6.998 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -6.511 -4.732 6.955 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -7.638 -6.693 7.415 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -6.931 -7.909 8.484 1.00 1.00 H new ATOM 830 N ALA A 55 -5.458 -3.917 2.088 1.00 1.00 N ATOM 831 CA ALA A 55 -4.574 -3.642 0.969 1.00 1.00 C ATOM 832 C ALA A 55 -3.971 -2.245 1.131 1.00 1.00 C ATOM 833 O ALA A 55 -4.671 -1.243 0.989 1.00 1.00 O ATOM 834 CB ALA A 55 -5.346 -3.795 -0.343 1.00 1.00 C ATOM 0 H ALA A 55 -6.338 -3.402 2.072 1.00 1.00 H new ATOM 0 HA ALA A 55 -3.751 -4.356 0.947 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -4.682 -3.588 -1.182 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -5.727 -4.813 -0.424 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -6.180 -3.093 -0.359 1.00 1.00 H new ATOM 840 N ILE A 56 -2.679 -2.224 1.426 1.00 1.00 N ATOM 841 CA ILE A 56 -2.031 -0.995 1.855 1.00 1.00 C ATOM 842 C ILE A 56 -1.796 -0.096 0.639 1.00 1.00 C ATOM 843 O ILE A 56 -1.486 -0.584 -0.447 1.00 1.00 O ATOM 844 CB ILE A 56 -0.757 -1.309 2.642 1.00 1.00 C ATOM 845 CG1 ILE A 56 -1.049 -2.278 3.791 1.00 1.00 C ATOM 846 CG2 ILE A 56 -0.085 -0.025 3.132 1.00 1.00 C ATOM 847 CD1 ILE A 56 -2.176 -1.750 4.681 1.00 1.00 C ATOM 0 H ILE A 56 -2.064 -3.036 1.377 1.00 1.00 H new ATOM 0 HA ILE A 56 -2.675 -0.444 2.540 1.00 1.00 H new ATOM 0 HB ILE A 56 -0.054 -1.804 1.972 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -1.325 -3.252 3.388 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -0.148 -2.423 4.387 1.00 1.00 H new ATOM 0 HG21 ILE A 56 0.818 -0.276 3.688 1.00 1.00 H new ATOM 0 HG22 ILE A 56 0.177 0.598 2.277 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -0.771 0.520 3.781 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -2.363 -2.457 5.489 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -1.887 -0.787 5.101 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -3.082 -1.629 4.087 1.00 1.00 H new ATOM 859 N VAL A 57 -1.952 1.200 0.863 1.00 1.00 N ATOM 860 CA VAL A 57 -1.831 2.165 -0.217 1.00 1.00 C ATOM 861 C VAL A 57 -0.772 3.206 0.151 1.00 1.00 C ATOM 862 O VAL A 57 -0.541 3.472 1.329 1.00 1.00 O ATOM 863 CB VAL A 57 -3.197 2.784 -0.520 1.00 1.00 C ATOM 864 CG1 VAL A 57 -4.165 2.575 0.647 1.00 1.00 C ATOM 865 CG2 VAL A 57 -3.063 4.268 -0.862 1.00 1.00 C ATOM 0 H VAL A 57 -2.161 1.605 1.776 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.500 1.674 -1.132 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.609 2.276 -1.392 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -5.128 3.024 0.406 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -4.297 1.508 0.824 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -3.760 3.044 1.544 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -4.048 4.683 -1.073 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -2.619 4.797 -0.019 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -2.425 4.383 -1.739 1.00 1.00 H new ATOM 875 N TRP A 58 -0.156 3.767 -0.880 1.00 1.00 N ATOM 876 CA TRP A 58 1.026 4.589 -0.689 1.00 1.00 C ATOM 877 C TRP A 58 0.718 5.614 0.404 1.00 1.00 C ATOM 878 O TRP A 58 -0.435 6.005 0.586 1.00 1.00 O ATOM 879 CB TRP A 58 1.466 5.231 -2.005 1.00 1.00 C ATOM 880 CG TRP A 58 2.713 6.110 -1.883 1.00 1.00 C ATOM 881 CD1 TRP A 58 3.994 5.748 -2.039 1.00 1.00 C ATOM 882 CD2 TRP A 58 2.746 7.518 -1.571 1.00 1.00 C ATOM 883 NE1 TRP A 58 4.847 6.817 -1.851 1.00 1.00 N ATOM 884 CE2 TRP A 58 4.065 7.927 -1.558 1.00 1.00 C ATOM 885 CE3 TRP A 58 1.698 8.417 -1.310 1.00 1.00 C ATOM 886 CZ2 TRP A 58 4.456 9.244 -1.288 1.00 1.00 C ATOM 887 CZ3 TRP A 58 2.105 9.729 -1.042 1.00 1.00 C ATOM 888 CH2 TRP A 58 3.428 10.157 -1.024 1.00 1.00 C ATOM 0 H TRP A 58 -0.454 3.668 -1.850 1.00 1.00 H new ATOM 0 HA TRP A 58 1.871 3.980 -0.366 1.00 1.00 H new ATOM 0 HB2 TRP A 58 1.659 4.444 -2.734 1.00 1.00 H new ATOM 0 HB3 TRP A 58 0.646 5.834 -2.395 1.00 1.00 H new ATOM 0 HD1 TRP A 58 4.318 4.747 -2.281 1.00 1.00 H new ATOM 0 HE1 TRP A 58 5.865 6.796 -1.915 1.00 1.00 H new ATOM 0 HE3 TRP A 58 0.660 8.119 -1.316 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 5.495 9.540 -1.284 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 1.338 10.460 -0.835 1.00 1.00 H new ATOM 0 HH2 TRP A 58 3.661 11.189 -0.807 1.00 1.00 H new ATOM 899 N PRO A 59 1.795 6.032 1.122 1.00 1.00 N ATOM 900 CA PRO A 59 3.053 5.308 1.071 1.00 1.00 C ATOM 901 C PRO A 59 2.974 4.012 1.880 1.00 1.00 C ATOM 902 O PRO A 59 1.944 3.714 2.483 1.00 1.00 O ATOM 903 CB PRO A 59 4.089 6.282 1.610 1.00 1.00 C ATOM 904 CG PRO A 59 3.308 7.341 2.372 1.00 1.00 C ATOM 905 CD PRO A 59 1.843 7.199 1.996 1.00 1.00 C ATOM 0 HA PRO A 59 3.313 4.987 0.062 1.00 1.00 H new ATOM 0 HB2 PRO A 59 4.799 5.775 2.263 1.00 1.00 H new ATOM 0 HB3 PRO A 59 4.664 6.729 0.799 1.00 1.00 H new ATOM 0 HG2 PRO A 59 3.441 7.214 3.446 1.00 1.00 H new ATOM 0 HG3 PRO A 59 3.672 8.338 2.122 1.00 1.00 H new ATOM 0 HD2 PRO A 59 1.220 7.058 2.879 1.00 1.00 H new ATOM 0 HD3 PRO A 59 1.477 8.090 1.486 1.00 1.00 H new ATOM 913 N LEU A 60 4.075 3.275 1.867 1.00 1.00 N ATOM 914 CA LEU A 60 4.342 2.310 2.920 1.00 1.00 C ATOM 915 C LEU A 60 4.592 3.051 4.235 1.00 1.00 C ATOM 916 O LEU A 60 4.732 4.273 4.246 1.00 1.00 O ATOM 917 CB LEU A 60 5.483 1.376 2.513 1.00 1.00 C ATOM 918 CG LEU A 60 5.216 0.476 1.304 1.00 1.00 C ATOM 919 CD1 LEU A 60 6.526 0.067 0.627 1.00 1.00 C ATOM 920 CD2 LEU A 60 4.372 -0.736 1.699 1.00 1.00 C ATOM 0 H LEU A 60 4.793 3.327 1.144 1.00 1.00 H new ATOM 0 HA LEU A 60 3.475 1.668 3.077 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.364 1.982 2.302 1.00 1.00 H new ATOM 0 HB3 LEU A 60 5.729 0.742 3.365 1.00 1.00 H new ATOM 0 HG LEU A 60 4.640 1.045 0.574 1.00 1.00 H new ATOM 0 HD11 LEU A 60 6.309 -0.572 -0.229 1.00 1.00 H new ATOM 0 HD12 LEU A 60 7.055 0.958 0.290 1.00 1.00 H new ATOM 0 HD13 LEU A 60 7.148 -0.477 1.337 1.00 1.00 H new ATOM 0 HD21 LEU A 60 4.197 -1.359 0.822 1.00 1.00 H new ATOM 0 HD22 LEU A 60 4.900 -1.316 2.456 1.00 1.00 H new ATOM 0 HD23 LEU A 60 3.417 -0.399 2.101 1.00 1.00 H new ATOM 932 N PRO A 61 4.642 2.260 5.340 1.00 1.00 N ATOM 933 CA PRO A 61 5.375 2.675 6.523 1.00 1.00 C ATOM 934 C PRO A 61 6.884 2.534 6.312 1.00 1.00 C ATOM 935 O PRO A 61 7.601 3.531 6.254 1.00 1.00 O ATOM 936 CB PRO A 61 4.847 1.791 7.642 1.00 1.00 C ATOM 937 CG PRO A 61 4.182 0.607 6.960 1.00 1.00 C ATOM 938 CD PRO A 61 4.006 0.955 5.491 1.00 1.00 C ATOM 0 HA PRO A 61 5.228 3.728 6.761 1.00 1.00 H new ATOM 0 HB2 PRO A 61 5.656 1.462 8.294 1.00 1.00 H new ATOM 0 HB3 PRO A 61 4.135 2.333 8.265 1.00 1.00 H new ATOM 0 HG2 PRO A 61 4.793 -0.289 7.070 1.00 1.00 H new ATOM 0 HG3 PRO A 61 3.217 0.394 7.420 1.00 1.00 H new ATOM 0 HD2 PRO A 61 4.475 0.209 4.849 1.00 1.00 H new ATOM 0 HD3 PRO A 61 2.952 0.994 5.217 1.00 1.00 H new ATOM 946 N ASN A 62 7.320 1.288 6.203 1.00 1.00 N ATOM 947 CA ASN A 62 8.583 0.882 6.797 1.00 1.00 C ATOM 948 C ASN A 62 9.670 0.879 5.721 1.00 1.00 C ATOM 949 O ASN A 62 10.817 0.529 5.994 1.00 1.00 O ATOM 950 CB ASN A 62 8.489 -0.531 7.377 1.00 1.00 C ATOM 951 CG ASN A 62 8.104 -1.543 6.297 1.00 1.00 C ATOM 952 OD1 ASN A 62 7.372 -1.249 5.367 1.00 1.00 O ATOM 953 ND2 ASN A 62 8.637 -2.750 6.472 1.00 1.00 N ATOM 0 H ASN A 62 6.821 0.546 5.712 1.00 1.00 H new ATOM 0 HA ASN A 62 8.822 1.585 7.595 1.00 1.00 H new ATOM 0 HB2 ASN A 62 9.446 -0.811 7.818 1.00 1.00 H new ATOM 0 HB3 ASN A 62 7.750 -0.550 8.178 1.00 1.00 H new ATOM 0 HD21 ASN A 62 8.440 -3.496 5.805 1.00 1.00 H new ATOM 0 HD22 ASN A 62 9.242 -2.929 7.273 1.00 1.00 H new ATOM 960 N LYS A 63 9.271 1.273 4.520 1.00 1.00 N ATOM 961 CA LYS A 63 10.224 1.455 3.438 1.00 1.00 C ATOM 962 C LYS A 63 9.498 2.017 2.214 1.00 1.00 C ATOM 963 O LYS A 63 9.377 1.341 1.195 1.00 1.00 O ATOM 964 CB LYS A 63 10.976 0.151 3.162 1.00 1.00 C ATOM 965 CG LYS A 63 10.005 -1.023 3.023 1.00 1.00 C ATOM 966 CD LYS A 63 10.692 -2.230 2.383 1.00 1.00 C ATOM 967 CE LYS A 63 9.667 -3.177 1.757 1.00 1.00 C ATOM 968 NZ LYS A 63 9.277 -2.702 0.410 1.00 1.00 N ATOM 0 H LYS A 63 8.301 1.471 4.273 1.00 1.00 H new ATOM 0 HA LYS A 63 10.986 2.182 3.719 1.00 1.00 H new ATOM 0 HB2 LYS A 63 11.563 0.252 2.249 1.00 1.00 H new ATOM 0 HB3 LYS A 63 11.678 -0.047 3.972 1.00 1.00 H new ATOM 0 HG2 LYS A 63 9.619 -1.298 4.004 1.00 1.00 H new ATOM 0 HG3 LYS A 63 9.150 -0.723 2.417 1.00 1.00 H new ATOM 0 HD2 LYS A 63 11.393 -1.891 1.620 1.00 1.00 H new ATOM 0 HD3 LYS A 63 11.273 -2.763 3.135 1.00 1.00 H new ATOM 0 HE2 LYS A 63 10.085 -4.181 1.688 1.00 1.00 H new ATOM 0 HE3 LYS A 63 8.786 -3.242 2.395 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 8.568 -3.347 0.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 8.874 -1.746 0.482 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 10.115 -2.679 -0.206 1.00 1.00 H new ATOM 982 N ARG A 64 9.032 3.250 2.358 1.00 1.00 N ATOM 983 CA ARG A 64 8.364 3.929 1.260 1.00 1.00 C ATOM 984 C ARG A 64 9.393 4.452 0.256 1.00 1.00 C ATOM 985 O ARG A 64 10.554 4.664 0.603 1.00 1.00 O ATOM 986 CB ARG A 64 7.518 5.098 1.769 1.00 1.00 C ATOM 987 CG ARG A 64 8.369 6.076 2.584 1.00 1.00 C ATOM 988 CD ARG A 64 7.804 7.496 2.497 1.00 1.00 C ATOM 989 NE ARG A 64 8.131 8.091 1.182 1.00 1.00 N ATOM 990 CZ ARG A 64 7.829 9.348 0.831 1.00 1.00 C ATOM 991 NH1 ARG A 64 7.075 10.107 1.638 1.00 1.00 N ATOM 992 NH2 ARG A 64 8.282 9.847 -0.328 1.00 1.00 N ATOM 0 H ARG A 64 9.104 3.795 3.217 1.00 1.00 H new ATOM 0 HA ARG A 64 7.709 3.207 0.772 1.00 1.00 H new ATOM 0 HB2 ARG A 64 7.066 5.619 0.925 1.00 1.00 H new ATOM 0 HB3 ARG A 64 6.702 4.720 2.385 1.00 1.00 H new ATOM 0 HG2 ARG A 64 8.401 5.756 3.626 1.00 1.00 H new ATOM 0 HG3 ARG A 64 9.395 6.065 2.216 1.00 1.00 H new ATOM 0 HD2 ARG A 64 6.723 7.475 2.638 1.00 1.00 H new ATOM 0 HD3 ARG A 64 8.218 8.111 3.297 1.00 1.00 H new ATOM 0 HE ARG A 64 8.617 7.508 0.501 1.00 1.00 H new ATOM 0 HH11 ARG A 64 6.731 9.728 2.520 1.00 1.00 H new ATOM 0 HH12 ARG A 64 6.845 11.064 1.370 1.00 1.00 H new ATOM 0 HH21 ARG A 64 8.856 9.270 -0.942 1.00 1.00 H new ATOM 0 HH22 ARG A 64 8.052 10.804 -0.596 1.00 1.00 H new ATOM 1006 N CYS A 65 8.929 4.646 -0.971 1.00 1.00 N ATOM 1007 CA CYS A 65 9.771 5.215 -2.008 1.00 1.00 C ATOM 1008 C CYS A 65 10.171 6.628 -1.582 1.00 1.00 C ATOM 1009 O CYS A 65 9.324 7.419 -1.170 1.00 1.00 O ATOM 1010 CB CYS A 65 9.075 5.206 -3.371 1.00 1.00 C ATOM 1011 SG CYS A 65 10.184 5.479 -4.801 1.00 1.00 S ATOM 0 H CYS A 65 7.980 4.419 -1.269 1.00 1.00 H new ATOM 0 HA CYS A 65 10.667 4.605 -2.126 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.569 4.249 -3.499 1.00 1.00 H new ATOM 0 HB3 CYS A 65 8.304 5.977 -3.375 1.00 1.00 H new