USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 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 5 ASN : amide:sc= -3.73 K(o=-2.8,f=-22!) USER MOD Set 1.2: A 13 THR OG1 : rot 86:sc= 0.962 USER MOD Set 2.1: A 7 GLN : amide:sc= 0.385 K(o=0.28,f=-3.6!) USER MOD Set 2.2: A 8 SER OG : rot -47:sc= -0.1 USER MOD Set 2.3: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -2.26 K(o=-2.3,f=-4.3) USER MOD Single : A 6 GLN : amide:sc= -2.58 K(o=-2.6,f=-12!) USER MOD Single : A 10 GLN : amide:sc= -0.0419 X(o=-0.042,f=-0.24) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.4!) USER MOD Single : A 23 ASN : amide:sc= -1.67! X(o=-1.7!,f=-1.5) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -132:sc= -0.691 (180deg=-2.47!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.18) USER MOD Single : A 56 THR OG1 : rot -51:sc= 0.988 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 61 ASN : amide:sc= -3.4 K(o=-3.4,f=-13!) USER MOD Single : A 62 ASN : amide:sc= 0.781 K(o=0.78,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.323 14.835 -0.289 1.00 0.00 N ATOM 2 CA LEU A 1 1.248 13.389 -0.625 1.00 0.00 C ATOM 3 C LEU A 1 -0.077 12.786 -0.170 1.00 0.00 C ATOM 4 O LEU A 1 -0.462 12.913 0.992 1.00 0.00 O ATOM 5 CB LEU A 1 2.416 12.670 0.052 1.00 0.00 C ATOM 6 CG LEU A 1 2.969 11.469 -0.716 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.818 11.930 -1.891 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.778 10.572 0.209 1.00 0.00 C ATOM 0 H1 LEU A 1 2.235 15.219 -0.610 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.548 15.342 -0.762 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.239 14.957 0.740 1.00 0.00 H new ATOM 0 HA LEU A 1 1.309 13.269 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.223 13.386 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.094 12.335 1.038 1.00 0.00 H new ATOM 0 HG LEU A 1 2.129 10.894 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.203 11.061 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.209 12.531 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.652 12.529 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.164 9.722 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.610 11.138 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.140 10.212 1.017 1.00 0.00 H new ATOM 22 N GLU A 2 -0.770 12.130 -1.095 1.00 0.00 N ATOM 23 CA GLU A 2 -2.052 11.506 -0.788 1.00 0.00 C ATOM 24 C GLU A 2 -2.113 10.085 -1.340 1.00 0.00 C ATOM 25 O GLU A 2 -2.067 9.876 -2.552 1.00 0.00 O ATOM 26 CB GLU A 2 -3.199 12.338 -1.363 1.00 0.00 C ATOM 27 CG GLU A 2 -3.611 13.501 -0.474 1.00 0.00 C ATOM 28 CD GLU A 2 -4.027 14.723 -1.269 1.00 0.00 C ATOM 29 OE1 GLU A 2 -3.543 14.883 -2.410 1.00 0.00 O ATOM 30 OE2 GLU A 2 -4.838 15.519 -0.753 1.00 0.00 O ATOM 0 H GLU A 2 -0.466 12.017 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.154 11.460 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.904 12.724 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.061 11.691 -1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.437 13.190 0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.781 13.764 0.182 1.00 0.00 H new ATOM 37 N CYS A 3 -2.216 9.111 -0.441 1.00 0.00 N ATOM 38 CA CYS A 3 -2.283 7.709 -0.833 1.00 0.00 C ATOM 39 C CYS A 3 -3.626 7.099 -0.449 1.00 0.00 C ATOM 40 O CYS A 3 -4.130 7.324 0.652 1.00 0.00 O ATOM 41 CB CYS A 3 -1.147 6.920 -0.182 1.00 0.00 C ATOM 42 SG CYS A 3 0.271 6.607 -1.281 1.00 0.00 S ATOM 0 H CYS A 3 -2.255 9.268 0.566 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.178 7.657 -1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.799 7.464 0.696 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.538 5.965 0.169 1.00 0.00 H new ATOM 47 N HIS A 4 -4.203 6.325 -1.363 1.00 0.00 N ATOM 48 CA HIS A 4 -5.484 5.682 -1.126 1.00 0.00 C ATOM 49 C HIS A 4 -5.314 4.425 -0.279 1.00 0.00 C ATOM 50 O HIS A 4 -4.558 3.522 -0.637 1.00 0.00 O ATOM 51 CB HIS A 4 -6.135 5.325 -2.461 1.00 0.00 C ATOM 52 CG HIS A 4 -6.051 6.418 -3.482 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.083 7.298 -3.727 1.00 0.00 N ATOM 54 CD2 HIS A 4 -5.051 6.768 -4.325 1.00 0.00 C ATOM 55 CE1 HIS A 4 -6.722 8.143 -4.677 1.00 0.00 C ATOM 56 NE2 HIS A 4 -5.494 7.844 -5.056 1.00 0.00 N ATOM 0 H HIS A 4 -3.798 6.129 -2.279 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.124 6.377 -0.582 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.658 4.430 -2.860 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.183 5.079 -2.290 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -7.984 7.297 -3.250 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.086 6.291 -4.408 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.329 8.942 -5.075 1.00 0.00 H new ATOM 65 N ASN A 5 -6.024 4.370 0.842 1.00 0.00 N ATOM 66 CA ASN A 5 -5.952 3.220 1.736 1.00 0.00 C ATOM 67 C ASN A 5 -6.946 2.134 1.322 1.00 0.00 C ATOM 68 O ASN A 5 -6.879 1.005 1.807 1.00 0.00 O ATOM 69 CB ASN A 5 -6.213 3.650 3.182 1.00 0.00 C ATOM 70 CG ASN A 5 -7.617 4.146 3.400 1.00 0.00 C ATOM 71 OD1 ASN A 5 -8.441 4.151 2.486 1.00 0.00 O ATOM 72 ND2 ASN A 5 -7.896 4.567 4.623 1.00 0.00 N ATOM 0 H ASN A 5 -6.656 5.108 1.153 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.947 2.805 1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.023 2.807 3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.509 4.436 3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.829 4.916 4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.178 4.543 5.347 1.00 0.00 H new ATOM 79 N GLN A 6 -7.868 2.482 0.421 1.00 0.00 N ATOM 80 CA GLN A 6 -8.876 1.540 -0.062 1.00 0.00 C ATOM 81 C GLN A 6 -8.262 0.174 -0.361 1.00 0.00 C ATOM 82 O GLN A 6 -7.051 0.052 -0.547 1.00 0.00 O ATOM 83 CB GLN A 6 -9.543 2.092 -1.323 1.00 0.00 C ATOM 84 CG GLN A 6 -10.835 1.379 -1.694 1.00 0.00 C ATOM 85 CD GLN A 6 -10.671 0.457 -2.887 1.00 0.00 C ATOM 86 OE1 GLN A 6 -10.098 -0.627 -2.776 1.00 0.00 O ATOM 87 NE2 GLN A 6 -11.176 0.884 -4.038 1.00 0.00 N ATOM 0 H GLN A 6 -7.936 3.413 0.011 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.622 1.414 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.752 3.152 -1.178 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.844 2.016 -2.156 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.185 0.801 -0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.604 2.120 -1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.643 1.789 -4.085 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.097 0.307 -4.875 1.00 0.00 H new ATOM 96 N GLN A 7 -9.107 -0.850 -0.404 1.00 0.00 N ATOM 97 CA GLN A 7 -8.654 -2.208 -0.680 1.00 0.00 C ATOM 98 C GLN A 7 -9.813 -3.076 -1.153 1.00 0.00 C ATOM 99 O GLN A 7 -10.899 -2.573 -1.443 1.00 0.00 O ATOM 100 CB GLN A 7 -8.015 -2.817 0.570 1.00 0.00 C ATOM 101 CG GLN A 7 -8.986 -2.998 1.725 1.00 0.00 C ATOM 102 CD GLN A 7 -8.820 -4.333 2.424 1.00 0.00 C ATOM 103 OE1 GLN A 7 -8.484 -5.338 1.797 1.00 0.00 O ATOM 104 NE2 GLN A 7 -9.053 -4.350 3.731 1.00 0.00 N ATOM 0 H GLN A 7 -10.112 -0.765 -0.251 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.908 -2.167 -1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.585 -3.785 0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.193 -2.179 0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.840 -2.194 2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.007 -2.911 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.329 -3.493 4.211 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.955 -5.220 4.255 1.00 0.00 H new ATOM 113 N SER A 8 -9.577 -4.383 -1.234 1.00 0.00 N ATOM 114 CA SER A 8 -10.602 -5.326 -1.675 1.00 0.00 C ATOM 115 C SER A 8 -11.940 -5.042 -0.995 1.00 0.00 C ATOM 116 O SER A 8 -11.999 -4.327 0.006 1.00 0.00 O ATOM 117 CB SER A 8 -10.161 -6.761 -1.383 1.00 0.00 C ATOM 118 OG SER A 8 -9.937 -6.953 0.003 1.00 0.00 O ATOM 0 H SER A 8 -8.683 -4.814 -0.999 1.00 0.00 H new ATOM 0 HA SER A 8 -10.733 -5.203 -2.750 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.924 -7.457 -1.731 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.249 -6.984 -1.936 1.00 0.00 H new ATOM 0 HG SER A 8 -9.390 -6.218 0.351 1.00 0.00 H new ATOM 124 N SER A 9 -13.011 -5.605 -1.546 1.00 0.00 N ATOM 125 CA SER A 9 -14.349 -5.411 -0.997 1.00 0.00 C ATOM 126 C SER A 9 -14.826 -3.980 -1.224 1.00 0.00 C ATOM 127 O SER A 9 -14.051 -3.111 -1.624 1.00 0.00 O ATOM 128 CB SER A 9 -14.370 -5.738 0.498 1.00 0.00 C ATOM 129 OG SER A 9 -13.696 -6.955 0.764 1.00 0.00 O ATOM 0 H SER A 9 -12.978 -6.200 -2.374 1.00 0.00 H new ATOM 0 HA SER A 9 -15.026 -6.090 -1.515 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.900 -4.929 1.057 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.401 -5.807 0.844 1.00 0.00 H new ATOM 0 HG SER A 9 -13.722 -7.140 1.726 1.00 0.00 H new ATOM 135 N GLN A 10 -16.109 -3.743 -0.970 1.00 0.00 N ATOM 136 CA GLN A 10 -16.698 -2.420 -1.148 1.00 0.00 C ATOM 137 C GLN A 10 -16.284 -1.478 -0.018 1.00 0.00 C ATOM 138 O GLN A 10 -15.407 -1.803 0.782 1.00 0.00 O ATOM 139 CB GLN A 10 -18.222 -2.534 -1.210 1.00 0.00 C ATOM 140 CG GLN A 10 -18.768 -2.605 -2.627 1.00 0.00 C ATOM 141 CD GLN A 10 -19.699 -1.454 -2.955 1.00 0.00 C ATOM 142 OE1 GLN A 10 -20.542 -1.071 -2.143 1.00 0.00 O ATOM 143 NE2 GLN A 10 -19.550 -0.893 -4.150 1.00 0.00 N ATOM 0 H GLN A 10 -16.763 -4.452 -0.639 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.330 -2.003 -2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -18.534 -3.424 -0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -18.663 -1.677 -0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -17.937 -2.607 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -19.301 -3.547 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -18.838 -1.242 -4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -20.147 -0.113 -4.425 1.00 0.00 H new ATOM 152 N THR A 11 -16.925 -0.311 0.037 1.00 0.00 N ATOM 153 CA THR A 11 -16.635 0.684 1.064 1.00 0.00 C ATOM 154 C THR A 11 -15.222 1.248 0.908 1.00 0.00 C ATOM 155 O THR A 11 -14.329 0.938 1.695 1.00 0.00 O ATOM 156 CB THR A 11 -16.814 0.075 2.457 1.00 0.00 C ATOM 157 OG1 THR A 11 -18.160 -0.313 2.664 1.00 0.00 O ATOM 158 CG2 THR A 11 -16.430 1.014 3.582 1.00 0.00 C ATOM 0 H THR A 11 -17.652 -0.032 -0.622 1.00 0.00 H new ATOM 0 HA THR A 11 -17.339 1.507 0.943 1.00 0.00 H new ATOM 0 HB THR A 11 -16.144 -0.784 2.481 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.255 -0.701 3.559 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.582 0.516 4.540 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.381 1.293 3.481 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.050 1.909 3.536 1.00 0.00 H new ATOM 166 N PRO A 12 -15.006 2.093 -0.116 1.00 0.00 N ATOM 167 CA PRO A 12 -13.700 2.710 -0.377 1.00 0.00 C ATOM 168 C PRO A 12 -13.297 3.686 0.727 1.00 0.00 C ATOM 169 O PRO A 12 -14.136 4.125 1.512 1.00 0.00 O ATOM 170 CB PRO A 12 -13.904 3.463 -1.702 1.00 0.00 C ATOM 171 CG PRO A 12 -15.175 2.927 -2.273 1.00 0.00 C ATOM 172 CD PRO A 12 -16.013 2.517 -1.099 1.00 0.00 C ATOM 0 HA PRO A 12 -12.904 1.967 -0.418 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.971 4.538 -1.536 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.068 3.297 -2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.684 3.683 -2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.981 2.079 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.620 3.342 -0.727 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.697 1.707 -1.353 1.00 0.00 H new ATOM 180 N THR A 13 -12.010 4.021 0.783 1.00 0.00 N ATOM 181 CA THR A 13 -11.511 4.946 1.795 1.00 0.00 C ATOM 182 C THR A 13 -10.299 5.719 1.285 1.00 0.00 C ATOM 183 O THR A 13 -9.798 5.460 0.191 1.00 0.00 O ATOM 184 CB THR A 13 -11.146 4.188 3.072 1.00 0.00 C ATOM 185 OG1 THR A 13 -10.727 2.868 2.771 1.00 0.00 O ATOM 186 CG2 THR A 13 -12.288 4.092 4.060 1.00 0.00 C ATOM 0 H THR A 13 -11.298 3.668 0.143 1.00 0.00 H new ATOM 0 HA THR A 13 -12.304 5.660 2.016 1.00 0.00 H new ATOM 0 HB THR A 13 -10.341 4.764 3.527 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.769 2.868 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.960 3.542 4.942 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.601 5.094 4.352 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.126 3.570 3.598 1.00 0.00 H new ATOM 194 N THR A 14 -9.833 6.669 2.090 1.00 0.00 N ATOM 195 CA THR A 14 -8.677 7.484 1.729 1.00 0.00 C ATOM 196 C THR A 14 -8.022 8.072 2.976 1.00 0.00 C ATOM 197 O THR A 14 -8.700 8.388 3.953 1.00 0.00 O ATOM 198 CB THR A 14 -9.093 8.607 0.779 1.00 0.00 C ATOM 199 OG1 THR A 14 -10.047 9.456 1.391 1.00 0.00 O ATOM 200 CG2 THR A 14 -9.691 8.105 -0.518 1.00 0.00 C ATOM 0 H THR A 14 -10.239 6.894 2.998 1.00 0.00 H new ATOM 0 HA THR A 14 -7.953 6.844 1.224 1.00 0.00 H new ATOM 0 HB THR A 14 -8.173 9.146 0.552 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.299 10.169 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.964 8.954 -1.145 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.960 7.488 -1.041 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.580 7.512 -0.303 1.00 0.00 H new ATOM 208 N THR A 15 -6.701 8.217 2.934 1.00 0.00 N ATOM 209 CA THR A 15 -5.959 8.767 4.063 1.00 0.00 C ATOM 210 C THR A 15 -4.722 9.524 3.589 1.00 0.00 C ATOM 211 O THR A 15 -3.691 8.922 3.291 1.00 0.00 O ATOM 212 CB THR A 15 -5.550 7.650 5.023 1.00 0.00 C ATOM 213 OG1 THR A 15 -4.844 8.176 6.133 1.00 0.00 O ATOM 214 CG2 THR A 15 -4.671 6.600 4.379 1.00 0.00 C ATOM 0 H THR A 15 -6.124 7.962 2.133 1.00 0.00 H new ATOM 0 HA THR A 15 -6.611 9.467 4.586 1.00 0.00 H new ATOM 0 HB THR A 15 -6.483 7.181 5.334 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.592 7.446 6.736 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.417 5.837 5.115 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.204 6.139 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.758 7.067 4.010 1.00 0.00 H new ATOM 222 N GLY A 16 -4.834 10.847 3.518 1.00 0.00 N ATOM 223 CA GLY A 16 -3.728 11.662 3.080 1.00 0.00 C ATOM 224 C GLY A 16 -2.704 11.892 4.174 1.00 0.00 C ATOM 225 O GLY A 16 -3.000 12.528 5.186 1.00 0.00 O ATOM 0 H GLY A 16 -5.678 11.366 3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.244 11.183 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.105 12.624 2.733 1.00 0.00 H new ATOM 229 N CYS A 17 -1.499 11.369 3.974 1.00 0.00 N ATOM 230 CA CYS A 17 -0.429 11.517 4.954 1.00 0.00 C ATOM 231 C CYS A 17 0.666 12.440 4.429 1.00 0.00 C ATOM 232 O CYS A 17 0.636 12.865 3.274 1.00 0.00 O ATOM 233 CB CYS A 17 0.164 10.151 5.304 1.00 0.00 C ATOM 234 SG CYS A 17 -1.075 8.827 5.493 1.00 0.00 S ATOM 0 H CYS A 17 -1.239 10.839 3.142 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.854 11.962 5.854 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.871 9.864 4.526 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.730 10.239 6.232 1.00 0.00 H new ATOM 239 N SER A 18 1.635 12.746 5.287 1.00 0.00 N ATOM 240 CA SER A 18 2.742 13.618 4.913 1.00 0.00 C ATOM 241 C SER A 18 3.746 13.739 6.055 1.00 0.00 C ATOM 242 O SER A 18 3.375 13.703 7.228 1.00 0.00 O ATOM 243 CB SER A 18 2.222 15.005 4.530 1.00 0.00 C ATOM 244 OG SER A 18 3.200 15.738 3.813 1.00 0.00 O ATOM 0 H SER A 18 1.675 12.402 6.247 1.00 0.00 H new ATOM 0 HA SER A 18 3.245 13.176 4.053 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.322 14.904 3.924 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.941 15.552 5.430 1.00 0.00 H new ATOM 0 HG SER A 18 2.842 16.620 3.579 1.00 0.00 H new ATOM 250 N GLY A 19 5.020 13.881 5.703 1.00 0.00 N ATOM 251 CA GLY A 19 6.058 14.003 6.710 1.00 0.00 C ATOM 252 C GLY A 19 6.301 12.704 7.452 1.00 0.00 C ATOM 253 O GLY A 19 7.266 11.993 7.171 1.00 0.00 O ATOM 0 H GLY A 19 5.352 13.914 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.985 14.325 6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.779 14.779 7.423 1.00 0.00 H new ATOM 257 N GLY A 20 5.425 12.395 8.404 1.00 0.00 N ATOM 258 CA GLY A 20 5.563 11.176 9.178 1.00 0.00 C ATOM 259 C GLY A 20 5.773 9.949 8.309 1.00 0.00 C ATOM 260 O GLY A 20 6.457 9.007 8.708 1.00 0.00 O ATOM 0 H GLY A 20 4.620 12.970 8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.405 11.279 9.863 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.671 11.035 9.788 1.00 0.00 H new ATOM 264 N GLU A 21 5.183 9.964 7.118 1.00 0.00 N ATOM 265 CA GLU A 21 5.307 8.845 6.190 1.00 0.00 C ATOM 266 C GLU A 21 5.798 9.323 4.827 1.00 0.00 C ATOM 267 O GLU A 21 5.427 10.402 4.366 1.00 0.00 O ATOM 268 CB GLU A 21 3.965 8.127 6.038 1.00 0.00 C ATOM 269 CG GLU A 21 4.003 6.971 5.051 1.00 0.00 C ATOM 270 CD GLU A 21 3.481 7.359 3.681 1.00 0.00 C ATOM 271 OE1 GLU A 21 4.229 8.012 2.923 1.00 0.00 O ATOM 272 OE2 GLU A 21 2.324 7.009 3.365 1.00 0.00 O ATOM 0 H GLU A 21 4.615 10.738 6.773 1.00 0.00 H new ATOM 0 HA GLU A 21 6.039 8.147 6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.650 7.752 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.212 8.846 5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.028 6.611 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.409 6.144 5.442 1.00 0.00 H new ATOM 279 N ASN A 22 6.637 8.513 4.190 1.00 0.00 N ATOM 280 CA ASN A 22 7.180 8.855 2.879 1.00 0.00 C ATOM 281 C ASN A 22 6.934 7.742 1.860 1.00 0.00 C ATOM 282 O ASN A 22 7.271 7.888 0.684 1.00 0.00 O ATOM 283 CB ASN A 22 8.680 9.134 2.988 1.00 0.00 C ATOM 284 CG ASN A 22 8.983 10.609 3.166 1.00 0.00 C ATOM 285 OD1 ASN A 22 8.078 11.421 3.355 1.00 0.00 O ATOM 286 ND2 ASN A 22 10.261 10.963 3.105 1.00 0.00 N ATOM 0 H ASN A 22 6.956 7.617 4.559 1.00 0.00 H new ATOM 0 HA ASN A 22 6.666 9.751 2.531 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.090 8.578 3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.181 8.769 2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.525 11.942 3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.979 10.256 2.946 1.00 0.00 H new ATOM 293 N ASN A 23 6.358 6.628 2.307 1.00 0.00 N ATOM 294 CA ASN A 23 6.089 5.505 1.419 1.00 0.00 C ATOM 295 C ASN A 23 4.755 4.844 1.749 1.00 0.00 C ATOM 296 O ASN A 23 4.338 4.803 2.907 1.00 0.00 O ATOM 297 CB ASN A 23 7.216 4.479 1.527 1.00 0.00 C ATOM 298 CG ASN A 23 8.539 5.017 1.017 1.00 0.00 C ATOM 299 OD1 ASN A 23 9.202 5.806 1.689 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.929 4.592 -0.179 1.00 0.00 N ATOM 0 H ASN A 23 6.071 6.481 3.275 1.00 0.00 H new ATOM 0 HA ASN A 23 6.035 5.885 0.399 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.328 4.174 2.568 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.947 3.587 0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.810 4.920 -0.575 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.348 3.937 -0.702 1.00 0.00 H new ATOM 307 N CYS A 24 4.095 4.319 0.721 1.00 0.00 N ATOM 308 CA CYS A 24 2.812 3.646 0.895 1.00 0.00 C ATOM 309 C CYS A 24 2.954 2.155 0.604 1.00 0.00 C ATOM 310 O CYS A 24 3.355 1.763 -0.492 1.00 0.00 O ATOM 311 CB CYS A 24 1.756 4.274 -0.017 1.00 0.00 C ATOM 312 SG CYS A 24 1.762 6.097 -0.003 1.00 0.00 S ATOM 0 H CYS A 24 4.428 4.347 -0.243 1.00 0.00 H new ATOM 0 HA CYS A 24 2.490 3.767 1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.918 3.927 -1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.771 3.921 0.287 1.00 0.00 H new ATOM 317 N TYR A 25 2.651 1.330 1.601 1.00 0.00 N ATOM 318 CA TYR A 25 2.774 -0.107 1.470 1.00 0.00 C ATOM 319 C TYR A 25 1.597 -0.728 0.721 1.00 0.00 C ATOM 320 O TYR A 25 0.442 -0.564 1.110 1.00 0.00 O ATOM 321 CB TYR A 25 2.911 -0.745 2.857 1.00 0.00 C ATOM 322 CG TYR A 25 1.590 -1.071 3.525 1.00 0.00 C ATOM 323 CD1 TYR A 25 0.911 -0.108 4.262 1.00 0.00 C ATOM 324 CD2 TYR A 25 1.022 -2.336 3.414 1.00 0.00 C ATOM 325 CE1 TYR A 25 -0.295 -0.396 4.871 1.00 0.00 C ATOM 326 CE2 TYR A 25 -0.185 -2.630 4.021 1.00 0.00 C ATOM 327 CZ TYR A 25 -0.838 -1.658 4.748 1.00 0.00 C ATOM 328 OH TYR A 25 -2.039 -1.948 5.353 1.00 0.00 O ATOM 0 H TYR A 25 2.316 1.641 2.513 1.00 0.00 H new ATOM 0 HA TYR A 25 3.669 -0.305 0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.495 -1.661 2.767 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.474 -0.070 3.501 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.333 0.881 4.360 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.531 -3.100 2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.810 0.363 5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.614 -3.617 3.926 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.282 -2.879 5.168 1.00 0.00 H new ATOM 338 N LYS A 26 1.909 -1.466 -0.338 1.00 0.00 N ATOM 339 CA LYS A 26 0.892 -2.148 -1.126 1.00 0.00 C ATOM 340 C LYS A 26 1.162 -3.646 -1.100 1.00 0.00 C ATOM 341 O LYS A 26 2.202 -4.098 -1.576 1.00 0.00 O ATOM 342 CB LYS A 26 0.889 -1.635 -2.568 1.00 0.00 C ATOM 343 CG LYS A 26 -0.416 -1.898 -3.302 1.00 0.00 C ATOM 344 CD LYS A 26 -0.790 -0.739 -4.212 1.00 0.00 C ATOM 345 CE LYS A 26 0.288 -0.473 -5.250 1.00 0.00 C ATOM 346 NZ LYS A 26 1.321 0.474 -4.749 1.00 0.00 N ATOM 0 H LYS A 26 2.863 -1.607 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.089 -1.945 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.085 -0.563 -2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.706 -2.106 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.325 -2.810 -3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.214 -2.065 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.733 -0.959 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.949 0.158 -3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.763 -1.414 -5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.169 -0.067 -6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.492 1.210 -5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.989 0.916 -3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.205 -0.042 -4.565 1.00 0.00 H new ATOM 360 N LYS A 27 0.246 -4.410 -0.511 1.00 0.00 N ATOM 361 CA LYS A 27 0.419 -5.847 -0.399 1.00 0.00 C ATOM 362 C LYS A 27 -0.812 -6.602 -0.897 1.00 0.00 C ATOM 363 O LYS A 27 -1.926 -6.369 -0.429 1.00 0.00 O ATOM 364 CB LYS A 27 0.691 -6.210 1.059 1.00 0.00 C ATOM 365 CG LYS A 27 -0.057 -5.347 2.059 1.00 0.00 C ATOM 366 CD LYS A 27 -0.050 -5.972 3.446 1.00 0.00 C ATOM 367 CE LYS A 27 1.231 -5.646 4.198 1.00 0.00 C ATOM 368 NZ LYS A 27 1.584 -6.710 5.177 1.00 0.00 N ATOM 0 H LYS A 27 -0.620 -4.055 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 27 1.264 -6.139 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.419 -7.253 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.761 -6.126 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.399 -4.358 2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.086 -5.209 1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.908 -5.611 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.157 -7.053 3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.048 -5.521 3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.114 -4.696 4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.463 -6.451 5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.816 -6.812 5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.720 -7.611 4.676 1.00 0.00 H new ATOM 382 N GLU A 28 -0.600 -7.514 -1.842 1.00 0.00 N ATOM 383 CA GLU A 28 -1.680 -8.309 -2.396 1.00 0.00 C ATOM 384 C GLU A 28 -1.588 -9.752 -1.907 1.00 0.00 C ATOM 385 O GLU A 28 -0.520 -10.362 -1.950 1.00 0.00 O ATOM 386 CB GLU A 28 -1.622 -8.272 -3.920 1.00 0.00 C ATOM 387 CG GLU A 28 -0.251 -8.603 -4.493 1.00 0.00 C ATOM 388 CD GLU A 28 -0.290 -9.767 -5.465 1.00 0.00 C ATOM 389 OE1 GLU A 28 -1.125 -10.674 -5.271 1.00 0.00 O ATOM 390 OE2 GLU A 28 0.514 -9.768 -6.421 1.00 0.00 O ATOM 0 H GLU A 28 0.317 -7.718 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.629 -7.889 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.352 -8.977 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.918 -7.280 -4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.148 -7.725 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.432 -8.839 -3.677 1.00 0.00 H new ATOM 397 N TRP A 29 -2.710 -10.296 -1.449 1.00 0.00 N ATOM 398 CA TRP A 29 -2.740 -11.670 -0.961 1.00 0.00 C ATOM 399 C TRP A 29 -3.932 -12.429 -1.535 1.00 0.00 C ATOM 400 O TRP A 29 -5.085 -12.055 -1.316 1.00 0.00 O ATOM 401 CB TRP A 29 -2.773 -11.702 0.575 1.00 0.00 C ATOM 402 CG TRP A 29 -4.118 -11.427 1.170 1.00 0.00 C ATOM 403 CD1 TRP A 29 -4.890 -12.316 1.845 1.00 0.00 C ATOM 404 CD2 TRP A 29 -4.840 -10.189 1.162 1.00 0.00 C ATOM 405 NE1 TRP A 29 -6.058 -11.720 2.252 1.00 0.00 N ATOM 406 CE2 TRP A 29 -6.052 -10.412 1.845 1.00 0.00 C ATOM 407 CE3 TRP A 29 -4.587 -8.916 0.642 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -7.005 -9.411 2.022 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -5.534 -7.924 0.819 1.00 0.00 C ATOM 410 CH2 TRP A 29 -6.728 -8.177 1.503 1.00 0.00 C ATOM 0 H TRP A 29 -3.606 -9.810 -1.405 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.828 -12.164 -1.297 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.433 -12.681 0.913 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.063 -10.968 0.957 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.624 -13.345 2.035 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.807 -12.176 2.772 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.669 -8.711 0.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.928 -9.603 2.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.349 -6.937 0.422 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.447 -7.380 1.624 1.00 0.00 H new ATOM 421 N ARG A 30 -3.644 -13.494 -2.276 1.00 0.00 N ATOM 422 CA ARG A 30 -4.684 -14.307 -2.886 1.00 0.00 C ATOM 423 C ARG A 30 -5.018 -15.513 -2.016 1.00 0.00 C ATOM 424 O ARG A 30 -4.351 -15.774 -1.015 1.00 0.00 O ATOM 425 CB ARG A 30 -4.244 -14.773 -4.274 1.00 0.00 C ATOM 426 CG ARG A 30 -2.791 -15.219 -4.341 1.00 0.00 C ATOM 427 CD ARG A 30 -2.476 -15.906 -5.660 1.00 0.00 C ATOM 428 NE ARG A 30 -1.499 -15.157 -6.446 1.00 0.00 N ATOM 429 CZ ARG A 30 -1.003 -15.577 -7.607 1.00 0.00 C ATOM 430 NH1 ARG A 30 -1.391 -16.738 -8.122 1.00 0.00 N ATOM 431 NH2 ARG A 30 -0.117 -14.834 -8.257 1.00 0.00 N ATOM 0 H ARG A 30 -2.694 -13.813 -2.468 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.580 -13.693 -2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.882 -15.598 -4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.398 -13.961 -4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.139 -14.355 -4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.581 -15.900 -3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.093 -16.908 -5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.394 -16.022 -6.237 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.178 -14.259 -6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.073 -17.313 -7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.007 -17.055 -9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.184 -13.941 -7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.263 -15.156 -9.147 1.00 0.00 H new ATOM 445 N ASP A 31 -6.054 -16.247 -2.408 1.00 0.00 N ATOM 446 CA ASP A 31 -6.478 -17.429 -1.668 1.00 0.00 C ATOM 447 C ASP A 31 -7.021 -18.492 -2.618 1.00 0.00 C ATOM 448 O ASP A 31 -8.132 -18.994 -2.439 1.00 0.00 O ATOM 449 CB ASP A 31 -7.543 -17.054 -0.634 1.00 0.00 C ATOM 450 CG ASP A 31 -8.783 -16.460 -1.270 1.00 0.00 C ATOM 451 OD1 ASP A 31 -8.714 -15.306 -1.744 1.00 0.00 O ATOM 452 OD2 ASP A 31 -9.824 -17.149 -1.298 1.00 0.00 O ATOM 0 H ASP A 31 -6.616 -16.044 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.611 -17.838 -1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.820 -17.941 -0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.123 -16.339 0.073 1.00 0.00 H new ATOM 457 N ASN A 32 -6.229 -18.830 -3.631 1.00 0.00 N ATOM 458 CA ASN A 32 -6.626 -19.832 -4.614 1.00 0.00 C ATOM 459 C ASN A 32 -7.832 -19.352 -5.420 1.00 0.00 C ATOM 460 O ASN A 32 -7.686 -18.870 -6.542 1.00 0.00 O ATOM 461 CB ASN A 32 -6.946 -21.160 -3.923 1.00 0.00 C ATOM 462 CG ASN A 32 -5.818 -22.165 -4.054 1.00 0.00 C ATOM 463 OD1 ASN A 32 -4.646 -21.827 -3.882 1.00 0.00 O ATOM 464 ND2 ASN A 32 -6.166 -23.409 -4.360 1.00 0.00 N ATOM 0 H ASN A 32 -5.307 -18.424 -3.793 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.793 -19.985 -5.300 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.147 -20.978 -2.867 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.855 -21.580 -4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.450 -24.129 -4.461 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.149 -23.645 -4.494 1.00 0.00 H new ATOM 471 N ARG A 33 -9.021 -19.490 -4.840 1.00 0.00 N ATOM 472 CA ARG A 33 -10.249 -19.070 -5.510 1.00 0.00 C ATOM 473 C ARG A 33 -10.202 -17.583 -5.858 1.00 0.00 C ATOM 474 O ARG A 33 -10.014 -17.217 -7.018 1.00 0.00 O ATOM 475 CB ARG A 33 -11.476 -19.370 -4.641 1.00 0.00 C ATOM 476 CG ARG A 33 -11.217 -19.288 -3.146 1.00 0.00 C ATOM 477 CD ARG A 33 -11.101 -20.669 -2.520 1.00 0.00 C ATOM 478 NE ARG A 33 -12.215 -21.537 -2.894 1.00 0.00 N ATOM 479 CZ ARG A 33 -12.182 -22.865 -2.811 1.00 0.00 C ATOM 480 NH1 ARG A 33 -11.094 -23.482 -2.363 1.00 0.00 N ATOM 481 NH2 ARG A 33 -13.237 -23.579 -3.175 1.00 0.00 N ATOM 0 H ARG A 33 -9.161 -19.888 -3.911 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.332 -19.639 -6.436 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.270 -18.670 -4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.841 -20.369 -4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.299 -18.728 -2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.026 -18.737 -2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.163 -21.130 -2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.065 -20.573 -1.435 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.069 -21.099 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.279 -22.938 -2.081 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.074 -24.500 -2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.075 -23.111 -3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.211 -24.597 -3.111 1.00 0.00 H new ATOM 495 N GLY A 34 -10.374 -16.733 -4.851 1.00 0.00 N ATOM 496 CA GLY A 34 -10.345 -15.299 -5.080 1.00 0.00 C ATOM 497 C GLY A 34 -9.046 -14.667 -4.623 1.00 0.00 C ATOM 498 O GLY A 34 -8.086 -15.368 -4.305 1.00 0.00 O ATOM 0 H GLY A 34 -10.533 -17.010 -3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.488 -15.101 -6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.178 -14.833 -4.553 1.00 0.00 H new ATOM 502 N TYR A 35 -9.013 -13.339 -4.591 1.00 0.00 N ATOM 503 CA TYR A 35 -7.818 -12.616 -4.171 1.00 0.00 C ATOM 504 C TYR A 35 -8.160 -11.190 -3.750 1.00 0.00 C ATOM 505 O TYR A 35 -9.188 -10.644 -4.148 1.00 0.00 O ATOM 506 CB TYR A 35 -6.784 -12.594 -5.298 1.00 0.00 C ATOM 507 CG TYR A 35 -7.376 -12.308 -6.660 1.00 0.00 C ATOM 508 CD1 TYR A 35 -8.046 -11.118 -6.910 1.00 0.00 C ATOM 509 CD2 TYR A 35 -7.263 -13.229 -7.695 1.00 0.00 C ATOM 510 CE1 TYR A 35 -8.589 -10.852 -8.154 1.00 0.00 C ATOM 511 CE2 TYR A 35 -7.803 -12.970 -8.941 1.00 0.00 C ATOM 512 CZ TYR A 35 -8.464 -11.781 -9.165 1.00 0.00 C ATOM 513 OH TYR A 35 -9.002 -11.520 -10.405 1.00 0.00 O ATOM 0 H TYR A 35 -9.799 -12.742 -4.850 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.396 -13.136 -3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.031 -11.839 -5.073 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.272 -13.556 -5.329 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.145 -10.388 -6.120 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.745 -14.161 -7.523 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.108 -9.922 -8.332 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.708 -13.696 -9.735 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.825 -12.275 -11.004 1.00 0.00 H new ATOM 523 N ARG A 36 -7.289 -10.594 -2.940 1.00 0.00 N ATOM 524 CA ARG A 36 -7.497 -9.232 -2.461 1.00 0.00 C ATOM 525 C ARG A 36 -6.182 -8.459 -2.431 1.00 0.00 C ATOM 526 O ARG A 36 -5.116 -9.015 -2.698 1.00 0.00 O ATOM 527 CB ARG A 36 -8.122 -9.249 -1.066 1.00 0.00 C ATOM 528 CG ARG A 36 -9.485 -9.926 -1.017 1.00 0.00 C ATOM 529 CD ARG A 36 -9.531 -11.020 0.040 1.00 0.00 C ATOM 530 NE ARG A 36 -10.230 -12.211 -0.436 1.00 0.00 N ATOM 531 CZ ARG A 36 -10.631 -13.202 0.358 1.00 0.00 C ATOM 532 NH1 ARG A 36 -10.407 -13.149 1.665 1.00 0.00 N ATOM 533 NH2 ARG A 36 -11.258 -14.251 -0.158 1.00 0.00 N ATOM 0 H ARG A 36 -6.433 -11.033 -2.602 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.177 -8.732 -3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.447 -9.761 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.222 -8.224 -0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.253 -9.183 -0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.715 -10.353 -1.993 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.515 -11.287 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.028 -10.641 0.933 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.422 -12.288 -1.435 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.925 -12.345 2.068 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.717 -13.912 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.432 -14.298 -1.162 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.566 -15.011 0.449 1.00 0.00 H new ATOM 547 N THR A 37 -6.265 -7.173 -2.103 1.00 0.00 N ATOM 548 CA THR A 37 -5.082 -6.321 -2.035 1.00 0.00 C ATOM 549 C THR A 37 -5.356 -5.081 -1.191 1.00 0.00 C ATOM 550 O THR A 37 -6.317 -4.352 -1.437 1.00 0.00 O ATOM 551 CB THR A 37 -4.646 -5.908 -3.443 1.00 0.00 C ATOM 552 OG1 THR A 37 -3.467 -5.123 -3.392 1.00 0.00 O ATOM 553 CG2 THR A 37 -5.697 -5.110 -4.185 1.00 0.00 C ATOM 0 H THR A 37 -7.140 -6.698 -1.880 1.00 0.00 H new ATOM 0 HA THR A 37 -4.279 -6.889 -1.565 1.00 0.00 H new ATOM 0 HB THR A 37 -4.477 -6.842 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.203 -4.870 -4.301 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.324 -4.849 -5.176 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.604 -5.706 -4.284 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.921 -4.199 -3.630 1.00 0.00 H new ATOM 561 N GLU A 38 -4.509 -4.845 -0.193 1.00 0.00 N ATOM 562 CA GLU A 38 -4.665 -3.696 0.683 1.00 0.00 C ATOM 563 C GLU A 38 -3.502 -2.727 0.512 1.00 0.00 C ATOM 564 O GLU A 38 -2.441 -3.098 0.013 1.00 0.00 O ATOM 565 CB GLU A 38 -4.758 -4.144 2.143 1.00 0.00 C ATOM 566 CG GLU A 38 -3.920 -5.370 2.474 1.00 0.00 C ATOM 567 CD GLU A 38 -4.234 -5.937 3.846 1.00 0.00 C ATOM 568 OE1 GLU A 38 -4.200 -5.166 4.828 1.00 0.00 O ATOM 569 OE2 GLU A 38 -4.513 -7.151 3.937 1.00 0.00 O ATOM 0 H GLU A 38 -3.708 -5.437 0.026 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.589 -3.186 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.445 -3.320 2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.801 -4.355 2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.092 -6.138 1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.863 -5.107 2.426 1.00 0.00 H new ATOM 576 N ARG A 39 -3.708 -1.484 0.930 1.00 0.00 N ATOM 577 CA ARG A 39 -2.672 -0.465 0.822 1.00 0.00 C ATOM 578 C ARG A 39 -2.914 0.670 1.810 1.00 0.00 C ATOM 579 O ARG A 39 -4.030 0.857 2.296 1.00 0.00 O ATOM 580 CB ARG A 39 -2.614 0.085 -0.605 1.00 0.00 C ATOM 581 CG ARG A 39 -3.959 0.559 -1.132 1.00 0.00 C ATOM 582 CD ARG A 39 -4.532 -0.410 -2.155 1.00 0.00 C ATOM 583 NE ARG A 39 -3.951 -0.218 -3.481 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.509 -0.658 -4.607 1.00 0.00 C ATOM 585 NH1 ARG A 39 -5.662 -1.314 -4.571 1.00 0.00 N ATOM 586 NH2 ARG A 39 -3.914 -0.439 -5.771 1.00 0.00 N ATOM 0 H ARG A 39 -4.581 -1.158 1.346 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.716 -0.930 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.908 0.915 -0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.226 -0.689 -1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.658 0.668 -0.302 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.846 1.544 -1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.351 -1.433 -1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.613 -0.280 -2.211 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.065 0.283 -3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.125 -1.483 -3.678 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.085 -1.649 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.029 0.067 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.341 -0.776 -6.634 1.00 0.00 H new ATOM 600 N GLY A 40 -1.860 1.425 2.103 1.00 0.00 N ATOM 601 CA GLY A 40 -1.975 2.533 3.033 1.00 0.00 C ATOM 602 C GLY A 40 -0.674 3.296 3.190 1.00 0.00 C ATOM 603 O GLY A 40 0.206 3.217 2.333 1.00 0.00 O ATOM 0 H GLY A 40 -0.928 1.289 1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.753 3.214 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.291 2.156 4.006 1.00 0.00 H new ATOM 607 N CYS A 41 -0.554 4.038 4.285 1.00 0.00 N ATOM 608 CA CYS A 41 0.642 4.822 4.552 1.00 0.00 C ATOM 609 C CYS A 41 1.641 4.027 5.389 1.00 0.00 C ATOM 610 O CYS A 41 1.295 3.491 6.442 1.00 0.00 O ATOM 611 CB CYS A 41 0.263 6.110 5.279 1.00 0.00 C ATOM 612 SG CYS A 41 -0.454 7.391 4.198 1.00 0.00 S ATOM 0 H CYS A 41 -1.274 4.112 5.003 1.00 0.00 H new ATOM 0 HA CYS A 41 1.113 5.067 3.600 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.452 5.873 6.067 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.151 6.515 5.765 1.00 0.00 H new ATOM 617 N GLY A 42 2.883 3.958 4.916 1.00 0.00 N ATOM 618 CA GLY A 42 3.911 3.230 5.638 1.00 0.00 C ATOM 619 C GLY A 42 4.508 2.099 4.824 1.00 0.00 C ATOM 620 O GLY A 42 4.260 1.992 3.623 1.00 0.00 O ATOM 0 H GLY A 42 3.195 4.392 4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.703 3.920 5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.487 2.826 6.557 1.00 0.00 H new ATOM 624 N CYS A 43 5.297 1.253 5.481 1.00 0.00 N ATOM 625 CA CYS A 43 5.933 0.122 4.817 1.00 0.00 C ATOM 626 C CYS A 43 6.488 -0.870 5.838 1.00 0.00 C ATOM 627 O CYS A 43 7.661 -1.238 5.786 1.00 0.00 O ATOM 628 CB CYS A 43 7.055 0.609 3.896 1.00 0.00 C ATOM 629 SG CYS A 43 7.699 -0.670 2.768 1.00 0.00 S ATOM 0 H CYS A 43 5.511 1.331 6.475 1.00 0.00 H new ATOM 0 HA CYS A 43 5.177 -0.387 4.219 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.687 1.448 3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.875 0.985 4.508 1.00 0.00 H new ATOM 634 N PRO A 44 5.645 -1.321 6.785 1.00 0.00 N ATOM 635 CA PRO A 44 6.056 -2.273 7.819 1.00 0.00 C ATOM 636 C PRO A 44 6.130 -3.704 7.294 1.00 0.00 C ATOM 637 O PRO A 44 6.070 -3.937 6.087 1.00 0.00 O ATOM 638 CB PRO A 44 4.948 -2.144 8.863 1.00 0.00 C ATOM 639 CG PRO A 44 3.738 -1.776 8.076 1.00 0.00 C ATOM 640 CD PRO A 44 4.225 -0.936 6.923 1.00 0.00 C ATOM 0 HA PRO A 44 7.054 -2.061 8.202 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.801 -3.079 9.404 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.187 -1.381 9.604 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.221 -2.666 7.718 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.029 -1.221 8.690 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.664 -1.143 6.012 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.117 0.129 7.129 1.00 0.00 H new ATOM 648 N SER A 45 6.259 -4.658 8.211 1.00 0.00 N ATOM 649 CA SER A 45 6.340 -6.067 7.843 1.00 0.00 C ATOM 650 C SER A 45 7.552 -6.332 6.957 1.00 0.00 C ATOM 651 O SER A 45 8.345 -5.429 6.686 1.00 0.00 O ATOM 652 CB SER A 45 5.063 -6.501 7.122 1.00 0.00 C ATOM 653 OG SER A 45 4.110 -7.016 8.036 1.00 0.00 O ATOM 0 H SER A 45 6.310 -4.481 9.214 1.00 0.00 H new ATOM 0 HA SER A 45 6.449 -6.649 8.758 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.637 -5.652 6.588 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.303 -7.259 6.376 1.00 0.00 H new ATOM 0 HG SER A 45 3.302 -7.285 7.550 1.00 0.00 H new ATOM 659 N VAL A 46 7.689 -7.576 6.507 1.00 0.00 N ATOM 660 CA VAL A 46 8.805 -7.961 5.650 1.00 0.00 C ATOM 661 C VAL A 46 8.312 -8.406 4.276 1.00 0.00 C ATOM 662 O VAL A 46 7.151 -8.200 3.923 1.00 0.00 O ATOM 663 CB VAL A 46 9.649 -9.084 6.304 1.00 0.00 C ATOM 664 CG1 VAL A 46 9.140 -10.468 5.918 1.00 0.00 C ATOM 665 CG2 VAL A 46 11.122 -8.926 5.947 1.00 0.00 C ATOM 0 H VAL A 46 7.041 -8.334 6.722 1.00 0.00 H new ATOM 0 HA VAL A 46 9.439 -7.083 5.523 1.00 0.00 H new ATOM 0 HB VAL A 46 9.544 -8.989 7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.757 -11.229 6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.107 -10.580 6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.192 -10.586 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.698 -9.724 6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.242 -8.980 4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.482 -7.961 6.305 1.00 0.00 H new ATOM 675 N LYS A 47 9.205 -9.013 3.508 1.00 0.00 N ATOM 676 CA LYS A 47 8.871 -9.490 2.170 1.00 0.00 C ATOM 677 C LYS A 47 8.468 -10.961 2.199 1.00 0.00 C ATOM 678 O LYS A 47 9.317 -11.850 2.148 1.00 0.00 O ATOM 679 CB LYS A 47 10.058 -9.294 1.224 1.00 0.00 C ATOM 680 CG LYS A 47 11.384 -9.752 1.808 1.00 0.00 C ATOM 681 CD LYS A 47 12.482 -9.766 0.756 1.00 0.00 C ATOM 682 CE LYS A 47 13.484 -10.881 1.014 1.00 0.00 C ATOM 683 NZ LYS A 47 14.532 -10.942 -0.043 1.00 0.00 N ATOM 0 H LYS A 47 10.170 -9.188 3.788 1.00 0.00 H new ATOM 0 HA LYS A 47 8.024 -8.908 1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.869 -9.841 0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.132 -8.239 0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.670 -9.090 2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.271 -10.750 2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.040 -9.894 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.997 -8.805 0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.956 -10.728 1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.960 -11.836 1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.195 -11.715 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.085 -11.114 -0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.049 -10.040 -0.072 1.00 0.00 H new ATOM 697 N LYS A 48 7.165 -11.210 2.284 1.00 0.00 N ATOM 698 CA LYS A 48 6.649 -12.574 2.321 1.00 0.00 C ATOM 699 C LYS A 48 5.983 -12.941 0.999 1.00 0.00 C ATOM 700 O LYS A 48 6.078 -12.202 0.018 1.00 0.00 O ATOM 701 CB LYS A 48 5.654 -12.733 3.473 1.00 0.00 C ATOM 702 CG LYS A 48 4.391 -11.902 3.308 1.00 0.00 C ATOM 703 CD LYS A 48 4.344 -10.752 4.301 1.00 0.00 C ATOM 704 CE LYS A 48 3.530 -11.114 5.533 1.00 0.00 C ATOM 705 NZ LYS A 48 3.598 -10.052 6.575 1.00 0.00 N ATOM 0 H LYS A 48 6.448 -10.486 2.329 1.00 0.00 H new ATOM 0 HA LYS A 48 7.489 -13.250 2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.378 -13.784 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.144 -12.453 4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.344 -11.509 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.516 -12.538 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.358 -10.485 4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.911 -9.874 3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.491 -11.276 5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.897 -12.053 5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.030 -10.337 7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.587 -9.915 6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.225 -9.162 6.188 1.00 0.00 H new ATOM 719 N GLY A 49 5.311 -14.090 0.977 1.00 0.00 N ATOM 720 CA GLY A 49 4.639 -14.541 -0.230 1.00 0.00 C ATOM 721 C GLY A 49 3.781 -13.460 -0.863 1.00 0.00 C ATOM 722 O GLY A 49 3.582 -13.449 -2.078 1.00 0.00 O ATOM 0 H GLY A 49 5.220 -14.718 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.384 -14.877 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.014 -15.402 0.007 1.00 0.00 H new ATOM 726 N ILE A 50 3.273 -12.551 -0.037 1.00 0.00 N ATOM 727 CA ILE A 50 2.433 -11.460 -0.517 1.00 0.00 C ATOM 728 C ILE A 50 3.073 -10.736 -1.698 1.00 0.00 C ATOM 729 O ILE A 50 4.230 -10.318 -1.631 1.00 0.00 O ATOM 730 CB ILE A 50 2.151 -10.457 0.610 1.00 0.00 C ATOM 731 CG1 ILE A 50 1.454 -11.174 1.763 1.00 0.00 C ATOM 732 CG2 ILE A 50 1.302 -9.292 0.109 1.00 0.00 C ATOM 733 CD1 ILE A 50 0.227 -11.955 1.343 1.00 0.00 C ATOM 0 H ILE A 50 3.429 -12.549 0.971 1.00 0.00 H new ATOM 0 HA ILE A 50 1.494 -11.900 -0.852 1.00 0.00 H new ATOM 0 HB ILE A 50 3.098 -10.046 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.162 -11.854 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.166 -10.439 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.118 -8.597 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.830 -8.776 -0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.351 -9.670 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.214 -12.437 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.500 -11.277 0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.511 -12.714 0.614 1.00 0.00 H new ATOM 745 N GLY A 51 2.313 -10.587 -2.778 1.00 0.00 N ATOM 746 CA GLY A 51 2.822 -9.910 -3.956 1.00 0.00 C ATOM 747 C GLY A 51 2.872 -8.406 -3.776 1.00 0.00 C ATOM 748 O GLY A 51 2.443 -7.890 -2.746 1.00 0.00 O ATOM 0 H GLY A 51 1.353 -10.923 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.822 -10.280 -4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.192 -10.151 -4.812 1.00 0.00 H new ATOM 752 N ILE A 52 3.400 -7.709 -4.781 1.00 0.00 N ATOM 753 CA ILE A 52 3.515 -6.252 -4.748 1.00 0.00 C ATOM 754 C ILE A 52 4.214 -5.770 -3.471 1.00 0.00 C ATOM 755 O ILE A 52 4.426 -6.543 -2.538 1.00 0.00 O ATOM 756 CB ILE A 52 2.130 -5.568 -4.906 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.301 -4.121 -5.370 1.00 0.00 C ATOM 758 CG2 ILE A 52 1.321 -5.625 -3.616 1.00 0.00 C ATOM 759 CD1 ILE A 52 1.257 -3.683 -6.374 1.00 0.00 C ATOM 0 H ILE A 52 3.758 -8.135 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 52 4.133 -5.962 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 52 1.574 -6.119 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.259 -3.462 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.291 -4.004 -5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.359 -5.136 -3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.159 -6.665 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.866 -5.115 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.439 -2.647 -6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.313 -4.318 -7.258 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.266 -3.768 -5.929 1.00 0.00 H new ATOM 771 N ASN A 53 4.587 -4.492 -3.444 1.00 0.00 N ATOM 772 CA ASN A 53 5.277 -3.919 -2.291 1.00 0.00 C ATOM 773 C ASN A 53 4.875 -2.464 -2.073 1.00 0.00 C ATOM 774 O ASN A 53 3.849 -2.004 -2.573 1.00 0.00 O ATOM 775 CB ASN A 53 6.792 -4.024 -2.488 1.00 0.00 C ATOM 776 CG ASN A 53 7.508 -4.477 -1.229 1.00 0.00 C ATOM 777 OD1 ASN A 53 8.365 -3.769 -0.701 1.00 0.00 O ATOM 778 ND2 ASN A 53 7.158 -5.662 -0.743 1.00 0.00 N ATOM 0 H ASN A 53 4.423 -3.835 -4.207 1.00 0.00 H new ATOM 0 HA ASN A 53 4.987 -4.483 -1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.003 -4.725 -3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.184 -3.055 -2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.605 -6.019 0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.442 -6.215 -1.214 1.00 0.00 H new ATOM 785 N CYS A 54 5.693 -1.747 -1.313 1.00 0.00 N ATOM 786 CA CYS A 54 5.433 -0.342 -1.018 1.00 0.00 C ATOM 787 C CYS A 54 5.860 0.545 -2.185 1.00 0.00 C ATOM 788 O CYS A 54 6.470 0.072 -3.144 1.00 0.00 O ATOM 789 CB CYS A 54 6.172 0.082 0.255 1.00 0.00 C ATOM 790 SG CYS A 54 6.103 -1.141 1.605 1.00 0.00 S ATOM 0 H CYS A 54 6.544 -2.115 -0.888 1.00 0.00 H new ATOM 0 HA CYS A 54 4.361 -0.222 -0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.216 0.275 0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.750 1.022 0.610 1.00 0.00 H new ATOM 795 N CYS A 55 5.534 1.831 -2.096 1.00 0.00 N ATOM 796 CA CYS A 55 5.883 2.783 -3.146 1.00 0.00 C ATOM 797 C CYS A 55 6.238 4.143 -2.554 1.00 0.00 C ATOM 798 O CYS A 55 6.187 4.334 -1.339 1.00 0.00 O ATOM 799 CB CYS A 55 4.727 2.932 -4.140 1.00 0.00 C ATOM 800 SG CYS A 55 3.076 2.967 -3.370 1.00 0.00 S ATOM 0 H CYS A 55 5.029 2.238 -1.309 1.00 0.00 H new ATOM 0 HA CYS A 55 6.756 2.397 -3.672 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.869 3.851 -4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.766 2.107 -4.851 1.00 0.00 H new ATOM 805 N THR A 56 6.599 5.084 -3.420 1.00 0.00 N ATOM 806 CA THR A 56 6.964 6.428 -2.983 1.00 0.00 C ATOM 807 C THR A 56 6.435 7.482 -3.951 1.00 0.00 C ATOM 808 O THR A 56 7.026 8.551 -4.101 1.00 0.00 O ATOM 809 CB THR A 56 8.484 6.551 -2.861 1.00 0.00 C ATOM 810 OG1 THR A 56 8.845 7.828 -2.366 1.00 0.00 O ATOM 811 CG2 THR A 56 9.208 6.346 -4.174 1.00 0.00 C ATOM 0 H THR A 56 6.647 4.941 -4.429 1.00 0.00 H new ATOM 0 HA THR A 56 6.510 6.599 -2.007 1.00 0.00 H new ATOM 0 HB THR A 56 8.784 5.761 -2.172 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.400 8.522 -2.896 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.282 6.447 -4.017 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.989 5.350 -4.558 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.875 7.094 -4.894 1.00 0.00 H new ATOM 819 N THR A 57 5.319 7.175 -4.603 1.00 0.00 N ATOM 820 CA THR A 57 4.712 8.099 -5.555 1.00 0.00 C ATOM 821 C THR A 57 3.297 8.471 -5.125 1.00 0.00 C ATOM 822 O THR A 57 2.598 7.676 -4.496 1.00 0.00 O ATOM 823 CB THR A 57 4.692 7.483 -6.955 1.00 0.00 C ATOM 824 OG1 THR A 57 4.764 6.069 -6.883 1.00 0.00 O ATOM 825 CG2 THR A 57 5.829 7.955 -7.833 1.00 0.00 C ATOM 0 H THR A 57 4.816 6.295 -4.490 1.00 0.00 H new ATOM 0 HA THR A 57 5.314 9.007 -5.577 1.00 0.00 H new ATOM 0 HB THR A 57 3.751 7.809 -7.399 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.748 5.694 -7.788 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.755 7.480 -8.811 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.773 9.037 -7.950 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.780 7.689 -7.371 1.00 0.00 H new ATOM 833 N ASP A 58 2.882 9.688 -5.467 1.00 0.00 N ATOM 834 CA ASP A 58 1.555 10.172 -5.118 1.00 0.00 C ATOM 835 C ASP A 58 0.469 9.270 -5.699 1.00 0.00 C ATOM 836 O ASP A 58 0.443 9.010 -6.902 1.00 0.00 O ATOM 837 CB ASP A 58 1.371 11.602 -5.624 1.00 0.00 C ATOM 838 CG ASP A 58 1.821 11.771 -7.063 1.00 0.00 C ATOM 839 OD1 ASP A 58 3.039 11.921 -7.291 1.00 0.00 O ATOM 840 OD2 ASP A 58 0.953 11.755 -7.961 1.00 0.00 O ATOM 0 H ASP A 58 3.450 10.357 -5.987 1.00 0.00 H new ATOM 0 HA ASP A 58 1.463 10.158 -4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.321 11.882 -5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.935 12.285 -4.988 1.00 0.00 H new ATOM 845 N ARG A 59 -0.423 8.796 -4.836 1.00 0.00 N ATOM 846 CA ARG A 59 -1.511 7.922 -5.263 1.00 0.00 C ATOM 847 C ARG A 59 -0.969 6.670 -5.944 1.00 0.00 C ATOM 848 O ARG A 59 -1.585 6.136 -6.866 1.00 0.00 O ATOM 849 CB ARG A 59 -2.447 8.669 -6.216 1.00 0.00 C ATOM 850 CG ARG A 59 -3.140 9.861 -5.577 1.00 0.00 C ATOM 851 CD ARG A 59 -4.094 10.538 -6.548 1.00 0.00 C ATOM 852 NE ARG A 59 -3.997 11.994 -6.482 1.00 0.00 N ATOM 853 CZ ARG A 59 -4.937 12.820 -6.933 1.00 0.00 C ATOM 854 NH1 ARG A 59 -6.046 12.340 -7.482 1.00 0.00 N ATOM 855 NH2 ARG A 59 -4.768 14.132 -6.835 1.00 0.00 N ATOM 0 H ARG A 59 -0.415 9.002 -3.837 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.069 7.619 -4.377 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.876 9.011 -7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.202 7.976 -6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.689 9.533 -4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.393 10.579 -5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.876 10.205 -7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.116 10.232 -6.325 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.159 12.401 -6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.181 11.332 -7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.763 12.979 -7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.918 14.507 -6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.488 14.766 -7.181 1.00 0.00 H new ATOM 869 N CYS A 60 0.190 6.209 -5.485 1.00 0.00 N ATOM 870 CA CYS A 60 0.820 5.025 -6.046 1.00 0.00 C ATOM 871 C CYS A 60 0.047 3.757 -5.690 1.00 0.00 C ATOM 872 O CYS A 60 0.253 2.707 -6.297 1.00 0.00 O ATOM 873 CB CYS A 60 2.258 4.919 -5.544 1.00 0.00 C ATOM 874 SG CYS A 60 2.412 4.853 -3.729 1.00 0.00 S ATOM 0 H CYS A 60 0.712 6.641 -4.723 1.00 0.00 H new ATOM 0 HA CYS A 60 0.817 5.123 -7.132 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.714 4.025 -5.969 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.824 5.773 -5.915 1.00 0.00 H new ATOM 879 N ASN A 61 -0.842 3.856 -4.704 1.00 0.00 N ATOM 880 CA ASN A 61 -1.636 2.709 -4.279 1.00 0.00 C ATOM 881 C ASN A 61 -3.118 2.935 -4.560 1.00 0.00 C ATOM 882 O ASN A 61 -3.980 2.497 -3.798 1.00 0.00 O ATOM 883 CB ASN A 61 -1.417 2.430 -2.789 1.00 0.00 C ATOM 884 CG ASN A 61 -1.968 3.525 -1.896 1.00 0.00 C ATOM 885 OD1 ASN A 61 -2.634 4.449 -2.362 1.00 0.00 O ATOM 886 ND2 ASN A 61 -1.687 3.428 -0.600 1.00 0.00 N ATOM 0 H ASN A 61 -1.029 4.715 -4.187 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.308 1.842 -4.852 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.890 1.483 -2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.350 2.316 -2.599 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.027 4.137 0.050 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.131 2.645 -0.256 1.00 0.00 H new ATOM 893 N ASN A 62 -3.408 3.622 -5.660 1.00 0.00 N ATOM 894 CA ASN A 62 -4.780 3.909 -6.045 1.00 0.00 C ATOM 895 C ASN A 62 -5.553 2.621 -6.310 1.00 0.00 C ATOM 896 O ASN A 62 -4.952 1.673 -6.858 1.00 0.00 O ATOM 897 CB ASN A 62 -4.794 4.794 -7.291 1.00 0.00 C ATOM 898 CG ASN A 62 -4.085 4.149 -8.464 1.00 0.00 C ATOM 899 OD1 ASN A 62 -4.692 3.415 -9.245 1.00 0.00 O ATOM 900 ND2 ASN A 62 -2.792 4.420 -8.597 1.00 0.00 N ATOM 901 OXT ASN A 62 -6.753 2.571 -5.967 1.00 0.00 O ATOM 0 H ASN A 62 -2.706 3.991 -6.301 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.266 4.434 -5.223 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.826 5.011 -7.568 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.318 5.748 -7.062 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.263 4.015 -9.369 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.328 5.034 -7.927 1.00 0.00 H new