USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 493 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 49 ASN : amide:sc=-0.00972 K(o=-5.3,f=-6.2!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -5.29! C(o=-5.3!,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 6:sc= 0.666 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.024 USER MOD Single : A 6 SER OG : rot 34:sc= 0.294 USER MOD Single : A 9 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=-0.12) USER MOD Single : A 10 GLN : amide:sc= -0.144 X(o=-0.14,f=0.27) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -179:sc= -1.22 (180deg=-1.25) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 25 ASN :FLIP amide:sc= -3.55! C(o=-4.2!,f=-3.5!) USER MOD Single : A 26 SER OG : rot 53:sc= 0.708 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= -5.75! C(o=-5.8!,f=-8.1!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.954 F(o=-1.7!,f=-0.95) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 24:sc= 0.324 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.407 -11.908 -0.900 1.00 0.00 N ATOM 2 CA GLY A 1 -24.124 -11.211 -1.952 1.00 0.00 C ATOM 3 C GLY A 1 -23.203 -10.710 -3.047 1.00 0.00 C ATOM 4 O GLY A 1 -23.269 -11.177 -4.184 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.080 -12.231 -0.176 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.912 -12.729 -1.303 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.715 -11.264 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.868 -11.880 -2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.665 -10.368 -1.522 1.00 0.00 H new ATOM 8 N SER A 2 -22.344 -9.756 -2.705 1.00 0.00 N ATOM 9 CA SER A 2 -21.409 -9.187 -3.669 1.00 0.00 C ATOM 10 C SER A 2 -22.105 -8.900 -4.996 1.00 0.00 C ATOM 11 O SER A 2 -21.552 -9.151 -6.066 1.00 0.00 O ATOM 12 CB SER A 2 -20.232 -10.137 -3.892 1.00 0.00 C ATOM 13 OG SER A 2 -20.654 -11.333 -4.526 1.00 0.00 O ATOM 0 H SER A 2 -22.276 -9.360 -1.767 1.00 0.00 H new ATOM 0 HA SER A 2 -21.035 -8.247 -3.264 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.475 -9.646 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.766 -10.374 -2.936 1.00 0.00 H new ATOM 0 HG SER A 2 -21.600 -11.257 -4.771 1.00 0.00 H new ATOM 19 N SER A 3 -23.323 -8.374 -4.917 1.00 0.00 N ATOM 20 CA SER A 3 -24.098 -8.057 -6.111 1.00 0.00 C ATOM 21 C SER A 3 -23.793 -6.643 -6.596 1.00 0.00 C ATOM 22 O SER A 3 -24.375 -5.671 -6.117 1.00 0.00 O ATOM 23 CB SER A 3 -25.595 -8.198 -5.826 1.00 0.00 C ATOM 24 OG SER A 3 -25.918 -9.524 -5.445 1.00 0.00 O ATOM 0 H SER A 3 -23.795 -8.158 -4.039 1.00 0.00 H new ATOM 0 HA SER A 3 -23.817 -8.761 -6.894 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.884 -7.508 -5.034 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.165 -7.922 -6.713 1.00 0.00 H new ATOM 0 HG SER A 3 -26.879 -9.588 -5.267 1.00 0.00 H new ATOM 30 N GLY A 4 -22.875 -6.537 -7.552 1.00 0.00 N ATOM 31 CA GLY A 4 -22.507 -5.240 -8.088 1.00 0.00 C ATOM 32 C GLY A 4 -22.254 -4.214 -7.001 1.00 0.00 C ATOM 33 O GLY A 4 -22.895 -3.163 -6.968 1.00 0.00 O ATOM 0 H GLY A 4 -22.379 -7.327 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.611 -5.344 -8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.301 -4.882 -8.743 1.00 0.00 H new ATOM 37 N SER A 5 -21.320 -4.520 -6.107 1.00 0.00 N ATOM 38 CA SER A 5 -20.988 -3.619 -5.009 1.00 0.00 C ATOM 39 C SER A 5 -19.502 -3.272 -5.021 1.00 0.00 C ATOM 40 O SER A 5 -18.679 -4.036 -5.526 1.00 0.00 O ATOM 41 CB SER A 5 -21.364 -4.254 -3.669 1.00 0.00 C ATOM 42 OG SER A 5 -20.919 -3.457 -2.585 1.00 0.00 O ATOM 0 H SER A 5 -20.779 -5.385 -6.121 1.00 0.00 H new ATOM 0 HA SER A 5 -21.559 -2.700 -5.141 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.445 -4.379 -3.613 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.924 -5.249 -3.598 1.00 0.00 H new ATOM 0 HG SER A 5 -21.173 -3.883 -1.740 1.00 0.00 H new ATOM 48 N SER A 6 -19.166 -2.115 -4.461 1.00 0.00 N ATOM 49 CA SER A 6 -17.781 -1.663 -4.410 1.00 0.00 C ATOM 50 C SER A 6 -17.546 -0.766 -3.199 1.00 0.00 C ATOM 51 O SER A 6 -18.019 0.369 -3.152 1.00 0.00 O ATOM 52 CB SER A 6 -17.419 -0.912 -5.693 1.00 0.00 C ATOM 53 OG SER A 6 -18.388 0.077 -5.995 1.00 0.00 O ATOM 0 H SER A 6 -19.835 -1.473 -4.036 1.00 0.00 H new ATOM 0 HA SER A 6 -17.142 -2.541 -4.319 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.441 -0.445 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.343 -1.616 -6.521 1.00 0.00 H new ATOM 0 HG SER A 6 -18.744 0.452 -5.162 1.00 0.00 H new ATOM 59 N GLY A 7 -16.810 -1.284 -2.220 1.00 0.00 N ATOM 60 CA GLY A 7 -16.524 -0.517 -1.021 1.00 0.00 C ATOM 61 C GLY A 7 -15.069 -0.610 -0.607 1.00 0.00 C ATOM 62 O GLY A 7 -14.445 -1.663 -0.737 1.00 0.00 O ATOM 0 H GLY A 7 -16.407 -2.221 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.784 0.528 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.154 -0.874 -0.206 1.00 0.00 H new ATOM 66 N CYS A 8 -14.526 0.495 -0.108 1.00 0.00 N ATOM 67 CA CYS A 8 -13.135 0.536 0.325 1.00 0.00 C ATOM 68 C CYS A 8 -12.897 -0.428 1.484 1.00 0.00 C ATOM 69 O CYS A 8 -13.751 -0.588 2.357 1.00 0.00 O ATOM 70 CB CYS A 8 -12.750 1.957 0.742 1.00 0.00 C ATOM 71 SG CYS A 8 -11.223 2.054 1.730 1.00 0.00 S ATOM 0 H CYS A 8 -15.029 1.375 0.007 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.511 0.229 -0.514 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.630 2.567 -0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.569 2.390 1.316 1.00 0.00 H new ATOM 76 N HIS A 9 -11.732 -1.067 1.485 1.00 0.00 N ATOM 77 CA HIS A 9 -11.381 -2.015 2.537 1.00 0.00 C ATOM 78 C HIS A 9 -10.668 -1.310 3.687 1.00 0.00 C ATOM 79 O HIS A 9 -10.899 -1.621 4.856 1.00 0.00 O ATOM 80 CB HIS A 9 -10.493 -3.126 1.976 1.00 0.00 C ATOM 81 CG HIS A 9 -10.305 -4.275 2.918 1.00 0.00 C ATOM 82 ND1 HIS A 9 -11.336 -4.826 3.649 1.00 0.00 N ATOM 83 CD2 HIS A 9 -9.196 -4.979 3.245 1.00 0.00 C ATOM 84 CE1 HIS A 9 -10.869 -5.818 4.386 1.00 0.00 C ATOM 85 NE2 HIS A 9 -9.573 -5.932 4.159 1.00 0.00 N ATOM 0 H HIS A 9 -11.015 -0.946 0.770 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.303 -2.455 2.918 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.930 -3.495 1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.518 -2.709 1.725 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.200 -4.821 2.859 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.449 -6.432 5.060 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.953 -6.616 4.592 1.00 0.00 H new ATOM 94 N GLN A 10 -9.801 -0.362 3.348 1.00 0.00 N ATOM 95 CA GLN A 10 -9.054 0.385 4.353 1.00 0.00 C ATOM 96 C GLN A 10 -9.972 0.855 5.476 1.00 0.00 C ATOM 97 O GLN A 10 -9.937 0.322 6.586 1.00 0.00 O ATOM 98 CB GLN A 10 -8.356 1.586 3.712 1.00 0.00 C ATOM 99 CG GLN A 10 -7.610 2.459 4.709 1.00 0.00 C ATOM 100 CD GLN A 10 -6.265 1.880 5.100 1.00 0.00 C ATOM 101 OE1 GLN A 10 -5.221 2.331 4.628 1.00 0.00 O ATOM 102 NE2 GLN A 10 -6.283 0.874 5.967 1.00 0.00 N ATOM 0 H GLN A 10 -9.598 -0.093 2.385 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.302 -0.279 4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.654 1.228 2.958 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.098 2.193 3.194 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.464 3.450 4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.220 2.586 5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.172 0.532 6.333 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.408 0.444 6.267 1.00 0.00 H new ATOM 111 N CYS A 11 -10.794 1.857 5.182 1.00 0.00 N ATOM 112 CA CYS A 11 -11.722 2.400 6.166 1.00 0.00 C ATOM 113 C CYS A 11 -13.020 1.598 6.190 1.00 0.00 C ATOM 114 O CYS A 11 -13.566 1.312 7.255 1.00 0.00 O ATOM 115 CB CYS A 11 -12.022 3.868 5.859 1.00 0.00 C ATOM 116 SG CYS A 11 -12.833 4.141 4.251 1.00 0.00 S ATOM 0 H CYS A 11 -10.836 2.310 4.269 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.254 2.330 7.148 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.658 4.270 6.648 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -11.089 4.431 5.884 1.00 0.00 H new ATOM 121 N GLY A 12 -13.510 1.239 5.007 1.00 0.00 N ATOM 122 CA GLY A 12 -14.740 0.474 4.915 1.00 0.00 C ATOM 123 C GLY A 12 -15.830 1.217 4.170 1.00 0.00 C ATOM 124 O GLY A 12 -16.601 0.615 3.423 1.00 0.00 O ATOM 0 H GLY A 12 -13.077 1.464 4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.539 -0.471 4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.090 0.232 5.919 1.00 0.00 H new ATOM 128 N GLU A 13 -15.896 2.529 4.375 1.00 0.00 N ATOM 129 CA GLU A 13 -16.903 3.354 3.718 1.00 0.00 C ATOM 130 C GLU A 13 -17.007 3.009 2.235 1.00 0.00 C ATOM 131 O GLU A 13 -16.044 2.543 1.626 1.00 0.00 O ATOM 132 CB GLU A 13 -16.567 4.838 3.885 1.00 0.00 C ATOM 133 CG GLU A 13 -16.429 5.271 5.335 1.00 0.00 C ATOM 134 CD GLU A 13 -17.767 5.556 5.989 1.00 0.00 C ATOM 135 OE1 GLU A 13 -18.779 4.973 5.548 1.00 0.00 O ATOM 136 OE2 GLU A 13 -17.801 6.362 6.942 1.00 0.00 O ATOM 0 H GLU A 13 -15.265 3.043 4.990 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.865 3.151 4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.636 5.052 3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.346 5.434 3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.914 4.491 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.806 6.164 5.386 1.00 0.00 H new ATOM 143 N PHE A 14 -18.182 3.241 1.661 1.00 0.00 N ATOM 144 CA PHE A 14 -18.414 2.954 0.250 1.00 0.00 C ATOM 145 C PHE A 14 -17.762 4.013 -0.635 1.00 0.00 C ATOM 146 O PHE A 14 -17.843 5.208 -0.351 1.00 0.00 O ATOM 147 CB PHE A 14 -19.915 2.885 -0.039 1.00 0.00 C ATOM 148 CG PHE A 14 -20.247 2.160 -1.312 1.00 0.00 C ATOM 149 CD1 PHE A 14 -20.410 0.784 -1.318 1.00 0.00 C ATOM 150 CD2 PHE A 14 -20.398 2.854 -2.501 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.716 0.114 -2.488 1.00 0.00 C ATOM 152 CE2 PHE A 14 -20.704 2.190 -3.674 1.00 0.00 C ATOM 153 CZ PHE A 14 -20.864 0.818 -3.667 1.00 0.00 C ATOM 0 H PHE A 14 -18.989 3.627 2.151 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.963 1.988 0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.415 2.389 0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.314 3.898 -0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -20.297 0.229 -0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.275 3.927 -2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.839 -0.959 -2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -20.818 2.743 -4.595 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.104 0.297 -4.582 1.00 0.00 H new ATOM 163 N ILE A 15 -17.117 3.564 -1.707 1.00 0.00 N ATOM 164 CA ILE A 15 -16.452 4.472 -2.633 1.00 0.00 C ATOM 165 C ILE A 15 -17.427 5.000 -3.680 1.00 0.00 C ATOM 166 O ILE A 15 -18.192 4.236 -4.271 1.00 0.00 O ATOM 167 CB ILE A 15 -15.272 3.786 -3.345 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.415 3.019 -2.336 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.432 4.813 -4.089 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.561 1.940 -2.965 1.00 0.00 C ATOM 0 H ILE A 15 -17.041 2.578 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 15 -16.073 5.305 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.669 3.076 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.769 3.723 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.066 2.566 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.602 4.312 -4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -15.049 5.318 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.042 5.545 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.981 1.438 -2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.202 1.214 -3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.884 2.389 -3.692 1.00 0.00 H new ATOM 182 N ILE A 16 -17.392 6.308 -3.907 1.00 0.00 N ATOM 183 CA ILE A 16 -18.270 6.937 -4.886 1.00 0.00 C ATOM 184 C ILE A 16 -17.492 7.878 -5.799 1.00 0.00 C ATOM 185 O ILE A 16 -16.947 8.886 -5.350 1.00 0.00 O ATOM 186 CB ILE A 16 -19.404 7.724 -4.202 1.00 0.00 C ATOM 187 CG1 ILE A 16 -20.084 6.861 -3.138 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.416 8.199 -5.233 1.00 0.00 C ATOM 189 CD1 ILE A 16 -21.129 7.603 -2.334 1.00 0.00 C ATOM 0 H ILE A 16 -16.765 6.953 -3.426 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.704 6.134 -5.482 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.975 8.599 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.551 6.003 -3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.325 6.470 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -21.211 8.753 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -19.921 8.846 -5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.842 7.338 -5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.569 6.929 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.664 8.445 -1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -21.908 7.971 -3.002 1.00 0.00 H new ATOM 201 N GLY A 17 -17.445 7.543 -7.085 1.00 0.00 N ATOM 202 CA GLY A 17 -16.733 8.370 -8.041 1.00 0.00 C ATOM 203 C GLY A 17 -15.455 7.718 -8.532 1.00 0.00 C ATOM 204 O GLY A 17 -15.377 7.273 -9.677 1.00 0.00 O ATOM 0 H GLY A 17 -17.887 6.714 -7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.382 8.577 -8.892 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.495 9.329 -7.581 1.00 0.00 H new ATOM 208 N ARG A 18 -14.450 7.663 -7.664 1.00 0.00 N ATOM 209 CA ARG A 18 -13.168 7.064 -8.016 1.00 0.00 C ATOM 210 C ARG A 18 -12.874 5.852 -7.136 1.00 0.00 C ATOM 211 O ARG A 18 -12.815 5.961 -5.912 1.00 0.00 O ATOM 212 CB ARG A 18 -12.045 8.092 -7.877 1.00 0.00 C ATOM 213 CG ARG A 18 -10.657 7.475 -7.818 1.00 0.00 C ATOM 214 CD ARG A 18 -9.601 8.426 -8.358 1.00 0.00 C ATOM 215 NE ARG A 18 -8.387 7.722 -8.764 1.00 0.00 N ATOM 216 CZ ARG A 18 -7.284 8.337 -9.177 1.00 0.00 C ATOM 217 NH1 ARG A 18 -7.242 9.661 -9.237 1.00 0.00 N ATOM 218 NH2 ARG A 18 -6.220 7.627 -9.529 1.00 0.00 N ATOM 0 H ARG A 18 -14.499 8.026 -6.712 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.223 6.734 -9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.091 8.783 -8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.211 8.679 -6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.418 7.212 -6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.644 6.550 -8.394 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.006 8.971 -9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.354 9.164 -7.595 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.386 6.703 -8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.058 10.210 -8.966 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.394 10.130 -9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.248 6.608 -9.483 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.374 8.100 -9.846 1.00 0.00 H new ATOM 232 N VAL A 19 -12.692 4.698 -7.770 1.00 0.00 N ATOM 233 CA VAL A 19 -12.404 3.466 -7.045 1.00 0.00 C ATOM 234 C VAL A 19 -11.028 2.920 -7.413 1.00 0.00 C ATOM 235 O VAL A 19 -10.773 2.583 -8.569 1.00 0.00 O ATOM 236 CB VAL A 19 -13.465 2.386 -7.330 1.00 0.00 C ATOM 237 CG1 VAL A 19 -12.921 1.003 -7.003 1.00 0.00 C ATOM 238 CG2 VAL A 19 -14.735 2.668 -6.542 1.00 0.00 C ATOM 0 H VAL A 19 -12.739 4.590 -8.783 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.422 3.712 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.709 2.412 -8.392 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.684 0.253 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.041 0.804 -7.615 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.647 0.960 -5.949 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.474 1.896 -6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.509 2.670 -5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.133 3.641 -6.830 1.00 0.00 H new ATOM 248 N ILE A 20 -10.147 2.837 -6.423 1.00 0.00 N ATOM 249 CA ILE A 20 -8.797 2.331 -6.642 1.00 0.00 C ATOM 250 C ILE A 20 -8.740 0.819 -6.456 1.00 0.00 C ATOM 251 O ILE A 20 -8.765 0.319 -5.331 1.00 0.00 O ATOM 252 CB ILE A 20 -7.786 2.993 -5.688 1.00 0.00 C ATOM 253 CG1 ILE A 20 -8.025 4.503 -5.623 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.362 2.696 -6.136 1.00 0.00 C ATOM 255 CD1 ILE A 20 -7.712 5.221 -6.917 1.00 0.00 C ATOM 0 H ILE A 20 -10.343 3.113 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.530 2.579 -7.669 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.927 2.579 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.066 4.687 -5.358 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.414 4.925 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.659 3.171 -5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.198 1.618 -6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.208 3.086 -7.142 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.905 6.287 -6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.664 5.068 -7.174 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.342 4.826 -7.714 1.00 0.00 H new ATOM 267 N LYS A 21 -8.661 0.094 -7.567 1.00 0.00 N ATOM 268 CA LYS A 21 -8.597 -1.362 -7.528 1.00 0.00 C ATOM 269 C LYS A 21 -7.178 -1.836 -7.231 1.00 0.00 C ATOM 270 O LYS A 21 -6.257 -1.595 -8.010 1.00 0.00 O ATOM 271 CB LYS A 21 -9.074 -1.950 -8.858 1.00 0.00 C ATOM 272 CG LYS A 21 -10.583 -1.915 -9.032 1.00 0.00 C ATOM 273 CD LYS A 21 -11.234 -3.184 -8.507 1.00 0.00 C ATOM 274 CE LYS A 21 -12.682 -2.944 -8.110 1.00 0.00 C ATOM 275 NZ LYS A 21 -13.615 -3.174 -9.248 1.00 0.00 N ATOM 0 H LYS A 21 -8.640 0.492 -8.506 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.252 -1.708 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.609 -1.400 -9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.732 -2.982 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.991 -1.051 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.826 -1.790 -10.087 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.189 -3.960 -9.271 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.676 -3.551 -7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.946 -3.605 -7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.795 -1.922 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.592 -3.000 -8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.379 -2.526 -10.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.526 -4.157 -9.577 1.00 0.00 H new ATOM 289 N ALA A 22 -7.011 -2.514 -6.100 1.00 0.00 N ATOM 290 CA ALA A 22 -5.705 -3.025 -5.702 1.00 0.00 C ATOM 291 C ALA A 22 -5.845 -4.202 -4.742 1.00 0.00 C ATOM 292 O ALA A 22 -6.929 -4.465 -4.223 1.00 0.00 O ATOM 293 CB ALA A 22 -4.876 -1.918 -5.066 1.00 0.00 C ATOM 0 H ALA A 22 -7.763 -2.722 -5.444 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.193 -3.379 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.903 -2.314 -4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.738 -1.109 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.392 -1.537 -4.185 1.00 0.00 H new ATOM 299 N MET A 23 -4.742 -4.906 -4.513 1.00 0.00 N ATOM 300 CA MET A 23 -4.743 -6.056 -3.615 1.00 0.00 C ATOM 301 C MET A 23 -6.012 -6.883 -3.792 1.00 0.00 C ATOM 302 O MET A 23 -6.483 -7.523 -2.853 1.00 0.00 O ATOM 303 CB MET A 23 -4.621 -5.594 -2.161 1.00 0.00 C ATOM 304 CG MET A 23 -3.435 -4.675 -1.913 1.00 0.00 C ATOM 305 SD MET A 23 -2.908 -4.672 -0.189 1.00 0.00 S ATOM 306 CE MET A 23 -1.415 -5.657 -0.290 1.00 0.00 C ATOM 0 H MET A 23 -3.837 -4.701 -4.936 1.00 0.00 H new ATOM 0 HA MET A 23 -3.885 -6.681 -3.864 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.537 -5.077 -1.874 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.534 -6.469 -1.516 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.602 -4.986 -2.543 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.698 -3.660 -2.210 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.980 -5.762 0.704 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.656 -6.643 -0.686 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.699 -5.166 -0.949 1.00 0.00 H new ATOM 316 N ASN A 24 -6.561 -6.865 -5.003 1.00 0.00 N ATOM 317 CA ASN A 24 -7.776 -7.613 -5.303 1.00 0.00 C ATOM 318 C ASN A 24 -8.958 -7.074 -4.503 1.00 0.00 C ATOM 319 O ASN A 24 -9.743 -7.839 -3.945 1.00 0.00 O ATOM 320 CB ASN A 24 -7.573 -9.099 -4.996 1.00 0.00 C ATOM 321 CG ASN A 24 -6.429 -9.702 -5.788 1.00 0.00 C ATOM 322 OD1 ASN A 24 -6.311 -9.483 -6.994 1.00 0.00 O ATOM 323 ND2 ASN A 24 -5.579 -10.465 -5.111 1.00 0.00 N ATOM 0 H ASN A 24 -6.183 -6.340 -5.792 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.994 -7.494 -6.364 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.379 -9.224 -3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.491 -9.642 -5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.789 -10.897 -5.590 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.716 -10.619 -4.112 1.00 0.00 H new ATOM 330 N ASN A 25 -9.078 -5.751 -4.453 1.00 0.00 N ATOM 331 CA ASN A 25 -10.164 -5.109 -3.721 1.00 0.00 C ATOM 332 C ASN A 25 -10.235 -3.621 -4.049 1.00 0.00 C ATOM 333 O ASN A 25 -9.282 -3.044 -4.574 1.00 0.00 O ATOM 334 CB ASN A 25 -9.977 -5.303 -2.215 1.00 0.00 C ATOM 335 CG ASN A 25 -10.369 -6.695 -1.759 1.00 0.00 C ATOM 336 OD1 ASN A 25 -9.374 -7.528 -1.477 1.00 0.00 O flip ATOM 337 ND2 ASN A 25 -11.553 -7.017 -1.659 1.00 0.00 N flip ATOM 0 H ASN A 25 -8.437 -5.103 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.101 -5.575 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.935 -5.118 -1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.575 -4.566 -1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.285 -6.344 -1.886 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.802 -7.956 -1.349 1.00 0.00 H new ATOM 344 N SER A 26 -11.370 -3.005 -3.735 1.00 0.00 N ATOM 345 CA SER A 26 -11.567 -1.584 -3.998 1.00 0.00 C ATOM 346 C SER A 26 -11.110 -0.743 -2.811 1.00 0.00 C ATOM 347 O SER A 26 -11.252 -1.149 -1.657 1.00 0.00 O ATOM 348 CB SER A 26 -13.039 -1.300 -4.303 1.00 0.00 C ATOM 349 OG SER A 26 -13.880 -1.824 -3.289 1.00 0.00 O ATOM 0 H SER A 26 -12.167 -3.467 -3.298 1.00 0.00 H new ATOM 0 HA SER A 26 -10.965 -1.313 -4.865 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.195 -0.225 -4.390 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.306 -1.739 -5.264 1.00 0.00 H new ATOM 0 HG SER A 26 -13.578 -1.502 -2.414 1.00 0.00 H new ATOM 355 N TRP A 27 -10.561 0.431 -3.102 1.00 0.00 N ATOM 356 CA TRP A 27 -10.082 1.330 -2.059 1.00 0.00 C ATOM 357 C TRP A 27 -10.228 2.786 -2.487 1.00 0.00 C ATOM 358 O TRP A 27 -10.555 3.075 -3.638 1.00 0.00 O ATOM 359 CB TRP A 27 -8.620 1.027 -1.727 1.00 0.00 C ATOM 360 CG TRP A 27 -8.312 -0.439 -1.684 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.488 -1.343 -2.693 1.00 0.00 C ATOM 362 CD2 TRP A 27 -7.777 -1.171 -0.576 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.094 -2.593 -2.278 1.00 0.00 N ATOM 364 CE2 TRP A 27 -7.653 -2.513 -0.983 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.389 -0.822 0.720 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.159 -3.504 -0.140 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -6.898 -1.807 1.556 1.00 0.00 C ATOM 368 CH2 TRP A 27 -6.786 -3.135 1.124 1.00 0.00 C ATOM 0 H TRP A 27 -10.437 0.782 -4.051 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.690 1.170 -1.168 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.980 1.504 -2.469 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.374 1.471 -0.762 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -8.879 -1.110 -3.672 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.125 -3.442 -2.842 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.471 0.199 1.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.073 -4.528 -0.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.595 -1.548 2.560 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.398 -3.882 1.801 1.00 0.00 H new ATOM 379 N HIS A 28 -9.982 3.701 -1.554 1.00 0.00 N ATOM 380 CA HIS A 28 -10.085 5.128 -1.836 1.00 0.00 C ATOM 381 C HIS A 28 -8.760 5.676 -2.357 1.00 0.00 C ATOM 382 O HIS A 28 -7.693 5.101 -2.138 1.00 0.00 O ATOM 383 CB HIS A 28 -10.505 5.889 -0.578 1.00 0.00 C ATOM 384 CG HIS A 28 -11.961 5.751 -0.253 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.420 5.243 0.944 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.063 6.061 -0.976 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.741 5.244 0.942 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.156 5.736 -0.211 1.00 0.00 N ATOM 0 H HIS A 28 -9.710 3.479 -0.596 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.844 5.267 -2.606 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.917 5.531 0.267 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.268 6.945 -0.706 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.079 6.485 -1.969 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.374 4.901 1.747 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.130 5.855 -0.488 1.00 0.00 H new ATOM 396 N PRO A 29 -8.827 6.813 -3.065 1.00 0.00 N ATOM 397 CA PRO A 29 -7.642 7.463 -3.632 1.00 0.00 C ATOM 398 C PRO A 29 -6.743 8.069 -2.559 1.00 0.00 C ATOM 399 O PRO A 29 -5.702 8.648 -2.865 1.00 0.00 O ATOM 400 CB PRO A 29 -8.231 8.563 -4.519 1.00 0.00 C ATOM 401 CG PRO A 29 -9.565 8.856 -3.924 1.00 0.00 C ATOM 402 CD PRO A 29 -10.064 7.553 -3.365 1.00 0.00 C ATOM 0 HA PRO A 29 -7.008 6.757 -4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.597 9.449 -4.524 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.323 8.231 -5.553 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.486 9.611 -3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.251 9.246 -4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.668 7.705 -2.471 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.687 7.020 -4.083 1.00 0.00 H new ATOM 410 N GLU A 30 -7.153 7.929 -1.303 1.00 0.00 N ATOM 411 CA GLU A 30 -6.384 8.464 -0.185 1.00 0.00 C ATOM 412 C GLU A 30 -6.092 7.375 0.844 1.00 0.00 C ATOM 413 O GLU A 30 -5.112 7.453 1.586 1.00 0.00 O ATOM 414 CB GLU A 30 -7.139 9.618 0.477 1.00 0.00 C ATOM 415 CG GLU A 30 -8.424 9.189 1.165 1.00 0.00 C ATOM 416 CD GLU A 30 -8.920 10.214 2.167 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.618 11.413 1.988 1.00 0.00 O ATOM 418 OE2 GLU A 30 -9.609 9.817 3.129 1.00 0.00 O ATOM 0 H GLU A 30 -8.012 7.450 -1.034 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.436 8.836 -0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.487 10.095 1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.374 10.368 -0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.195 9.019 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.260 8.239 1.674 1.00 0.00 H new ATOM 425 N CYS A 31 -6.949 6.361 0.883 1.00 0.00 N ATOM 426 CA CYS A 31 -6.786 5.257 1.821 1.00 0.00 C ATOM 427 C CYS A 31 -5.630 4.353 1.401 1.00 0.00 C ATOM 428 O CYS A 31 -4.710 4.102 2.179 1.00 0.00 O ATOM 429 CB CYS A 31 -8.077 4.442 1.912 1.00 0.00 C ATOM 430 SG CYS A 31 -9.358 5.194 2.967 1.00 0.00 S ATOM 0 H CYS A 31 -7.764 6.281 0.275 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.559 5.677 2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.481 4.308 0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.841 3.450 2.296 1.00 0.00 H new ATOM 435 N PHE A 32 -5.685 3.867 0.165 1.00 0.00 N ATOM 436 CA PHE A 32 -4.644 2.991 -0.359 1.00 0.00 C ATOM 437 C PHE A 32 -3.283 3.682 -0.326 1.00 0.00 C ATOM 438 O PHE A 32 -2.907 4.380 -1.267 1.00 0.00 O ATOM 439 CB PHE A 32 -4.977 2.567 -1.790 1.00 0.00 C ATOM 440 CG PHE A 32 -4.344 1.265 -2.193 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.581 0.110 -1.466 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.512 1.197 -3.299 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.999 -1.088 -1.834 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.927 0.002 -3.672 1.00 0.00 C ATOM 445 CZ PHE A 32 -3.172 -1.143 -2.939 1.00 0.00 C ATOM 0 H PHE A 32 -6.440 4.065 -0.492 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.598 2.105 0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.059 2.483 -1.893 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.651 3.348 -2.477 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.228 0.146 -0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.318 2.089 -3.877 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.191 -1.981 -1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.279 -0.037 -4.535 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.718 -2.079 -3.229 1.00 0.00 H new ATOM 455 N ARG A 33 -2.552 3.483 0.766 1.00 0.00 N ATOM 456 CA ARG A 33 -1.234 4.087 0.924 1.00 0.00 C ATOM 457 C ARG A 33 -0.178 3.023 1.207 1.00 0.00 C ATOM 458 O ARG A 33 -0.504 1.883 1.538 1.00 0.00 O ATOM 459 CB ARG A 33 -1.254 5.116 2.056 1.00 0.00 C ATOM 460 CG ARG A 33 -2.303 6.201 1.874 1.00 0.00 C ATOM 461 CD ARG A 33 -2.155 7.299 2.916 1.00 0.00 C ATOM 462 NE ARG A 33 -1.324 8.400 2.436 1.00 0.00 N ATOM 463 CZ ARG A 33 -0.712 9.263 3.240 1.00 0.00 C ATOM 464 NH1 ARG A 33 -0.837 9.153 4.555 1.00 0.00 N ATOM 465 NH2 ARG A 33 0.027 10.238 2.728 1.00 0.00 N ATOM 0 H ARG A 33 -2.850 2.908 1.554 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.977 4.588 -0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.435 4.602 3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.271 5.581 2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.215 6.631 0.876 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.298 5.762 1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.141 7.679 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.716 6.882 3.822 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.207 8.513 1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.404 8.404 4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.366 9.817 5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.126 10.326 1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.497 10.900 3.346 1.00 0.00 H new ATOM 479 N CYS A 34 1.088 3.404 1.074 1.00 0.00 N ATOM 480 CA CYS A 34 2.193 2.484 1.315 1.00 0.00 C ATOM 481 C CYS A 34 2.111 1.891 2.719 1.00 0.00 C ATOM 482 O CYS A 34 1.349 2.365 3.561 1.00 0.00 O ATOM 483 CB CYS A 34 3.531 3.201 1.129 1.00 0.00 C ATOM 484 SG CYS A 34 4.962 2.082 0.989 1.00 0.00 S ATOM 0 H CYS A 34 1.374 4.344 0.800 1.00 0.00 H new ATOM 0 HA CYS A 34 2.121 1.671 0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.478 3.819 0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.691 3.874 1.972 1.00 0.00 H new ATOM 489 N ASP A 35 2.903 0.852 2.963 1.00 0.00 N ATOM 490 CA ASP A 35 2.922 0.195 4.265 1.00 0.00 C ATOM 491 C ASP A 35 4.192 0.546 5.032 1.00 0.00 C ATOM 492 O ASP A 35 4.383 0.113 6.169 1.00 0.00 O ATOM 493 CB ASP A 35 2.815 -1.321 4.096 1.00 0.00 C ATOM 494 CG ASP A 35 2.767 -2.050 5.425 1.00 0.00 C ATOM 495 OD1 ASP A 35 1.835 -1.786 6.213 1.00 0.00 O ATOM 496 OD2 ASP A 35 3.661 -2.885 5.676 1.00 0.00 O ATOM 0 H ASP A 35 3.540 0.447 2.277 1.00 0.00 H new ATOM 0 HA ASP A 35 2.065 0.550 4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.919 -1.557 3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.667 -1.680 3.518 1.00 0.00 H new ATOM 501 N LEU A 36 5.059 1.332 4.403 1.00 0.00 N ATOM 502 CA LEU A 36 6.313 1.741 5.026 1.00 0.00 C ATOM 503 C LEU A 36 6.375 3.257 5.183 1.00 0.00 C ATOM 504 O LEU A 36 6.937 3.769 6.151 1.00 0.00 O ATOM 505 CB LEU A 36 7.501 1.254 4.194 1.00 0.00 C ATOM 506 CG LEU A 36 7.704 -0.260 4.135 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.464 -0.648 2.876 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.438 -0.749 5.375 1.00 0.00 C ATOM 0 H LEU A 36 4.917 1.699 3.462 1.00 0.00 H new ATOM 0 HA LEU A 36 6.362 1.290 6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.382 1.624 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.408 1.707 4.594 1.00 0.00 H new ATOM 0 HG LEU A 36 6.725 -0.737 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.599 -1.729 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.899 -0.333 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.439 -0.160 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.573 -1.829 5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.412 -0.264 5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.855 -0.505 6.263 1.00 0.00 H new ATOM 520 N CYS A 37 5.790 3.970 4.226 1.00 0.00 N ATOM 521 CA CYS A 37 5.776 5.427 4.257 1.00 0.00 C ATOM 522 C CYS A 37 4.349 5.959 4.163 1.00 0.00 C ATOM 523 O CYS A 37 4.115 7.161 4.287 1.00 0.00 O ATOM 524 CB CYS A 37 6.619 5.991 3.112 1.00 0.00 C ATOM 525 SG CYS A 37 5.941 5.658 1.455 1.00 0.00 S ATOM 0 H CYS A 37 5.319 3.561 3.419 1.00 0.00 H new ATOM 0 HA CYS A 37 6.204 5.749 5.206 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.716 7.069 3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.623 5.571 3.173 1.00 0.00 H new ATOM 530 N GLN A 38 3.399 5.055 3.943 1.00 0.00 N ATOM 531 CA GLN A 38 1.996 5.434 3.832 1.00 0.00 C ATOM 532 C GLN A 38 1.805 6.509 2.766 1.00 0.00 C ATOM 533 O GLN A 38 1.248 7.572 3.037 1.00 0.00 O ATOM 534 CB GLN A 38 1.473 5.936 5.179 1.00 0.00 C ATOM 535 CG GLN A 38 1.659 4.941 6.313 1.00 0.00 C ATOM 536 CD GLN A 38 0.464 4.024 6.486 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.668 4.482 6.642 1.00 0.00 O ATOM 538 NE2 GLN A 38 0.711 2.719 6.460 1.00 0.00 N ATOM 0 H GLN A 38 3.576 4.056 3.838 1.00 0.00 H new ATOM 0 HA GLN A 38 1.430 4.551 3.537 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.983 6.865 5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.413 6.171 5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.548 4.341 6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.834 5.483 7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.665 2.383 6.328 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.053 2.053 6.572 1.00 0.00 H new ATOM 547 N GLU A 39 2.271 6.223 1.555 1.00 0.00 N ATOM 548 CA GLU A 39 2.152 7.167 0.449 1.00 0.00 C ATOM 549 C GLU A 39 1.065 6.727 -0.527 1.00 0.00 C ATOM 550 O GLU A 39 1.024 5.571 -0.949 1.00 0.00 O ATOM 551 CB GLU A 39 3.489 7.298 -0.284 1.00 0.00 C ATOM 552 CG GLU A 39 3.396 8.084 -1.581 1.00 0.00 C ATOM 553 CD GLU A 39 4.736 8.637 -2.026 1.00 0.00 C ATOM 554 OE1 GLU A 39 5.750 7.920 -1.883 1.00 0.00 O ATOM 555 OE2 GLU A 39 4.773 9.785 -2.516 1.00 0.00 O ATOM 0 H GLU A 39 2.734 5.347 1.314 1.00 0.00 H new ATOM 0 HA GLU A 39 1.875 8.137 0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.209 7.783 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.875 6.302 -0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.995 7.440 -2.364 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.692 8.906 -1.453 1.00 0.00 H new ATOM 562 N VAL A 40 0.184 7.658 -0.881 1.00 0.00 N ATOM 563 CA VAL A 40 -0.904 7.368 -1.807 1.00 0.00 C ATOM 564 C VAL A 40 -0.413 6.542 -2.991 1.00 0.00 C ATOM 565 O VAL A 40 0.387 7.013 -3.800 1.00 0.00 O ATOM 566 CB VAL A 40 -1.554 8.662 -2.332 1.00 0.00 C ATOM 567 CG1 VAL A 40 -2.671 8.338 -3.312 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.075 9.503 -1.176 1.00 0.00 C ATOM 0 H VAL A 40 0.203 8.619 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.648 6.796 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.796 9.241 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.119 9.264 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.265 7.779 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.431 7.738 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.531 10.413 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.819 8.934 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.249 9.765 -0.515 1.00 0.00 H new ATOM 578 N LEU A 41 -0.897 5.309 -3.086 1.00 0.00 N ATOM 579 CA LEU A 41 -0.507 4.416 -4.172 1.00 0.00 C ATOM 580 C LEU A 41 -1.603 4.336 -5.231 1.00 0.00 C ATOM 581 O LEU A 41 -1.822 3.286 -5.833 1.00 0.00 O ATOM 582 CB LEU A 41 -0.206 3.019 -3.627 1.00 0.00 C ATOM 583 CG LEU A 41 0.329 2.958 -2.196 1.00 0.00 C ATOM 584 CD1 LEU A 41 -0.041 1.635 -1.544 1.00 0.00 C ATOM 585 CD2 LEU A 41 1.838 3.159 -2.181 1.00 0.00 C ATOM 0 H LEU A 41 -1.560 4.904 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 41 0.393 4.820 -4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.119 2.426 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.520 2.542 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.130 3.763 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.348 1.610 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.126 1.532 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.389 0.814 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.201 3.112 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.315 2.376 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.080 4.133 -2.607 1.00 0.00 H new ATOM 597 N ALA A 42 -2.286 5.454 -5.453 1.00 0.00 N ATOM 598 CA ALA A 42 -3.356 5.511 -6.441 1.00 0.00 C ATOM 599 C ALA A 42 -2.811 5.869 -7.820 1.00 0.00 C ATOM 600 O ALA A 42 -2.959 5.105 -8.774 1.00 0.00 O ATOM 601 CB ALA A 42 -4.416 6.516 -6.014 1.00 0.00 C ATOM 0 H ALA A 42 -2.117 6.332 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.812 4.523 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.209 6.548 -6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.835 6.217 -5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.965 7.504 -5.921 1.00 0.00 H new ATOM 607 N ASP A 43 -2.182 7.035 -7.918 1.00 0.00 N ATOM 608 CA ASP A 43 -1.614 7.493 -9.181 1.00 0.00 C ATOM 609 C ASP A 43 -0.259 6.841 -9.436 1.00 0.00 C ATOM 610 O ASP A 43 0.003 6.340 -10.530 1.00 0.00 O ATOM 611 CB ASP A 43 -1.469 9.016 -9.175 1.00 0.00 C ATOM 612 CG ASP A 43 -2.806 9.725 -9.097 1.00 0.00 C ATOM 613 OD1 ASP A 43 -3.663 9.473 -9.970 1.00 0.00 O ATOM 614 OD2 ASP A 43 -2.996 10.533 -8.164 1.00 0.00 O ATOM 0 H ASP A 43 -2.053 7.680 -7.139 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.292 7.203 -9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.852 9.316 -8.328 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.946 9.332 -10.078 1.00 0.00 H new ATOM 619 N ILE A 44 0.598 6.853 -8.421 1.00 0.00 N ATOM 620 CA ILE A 44 1.926 6.262 -8.536 1.00 0.00 C ATOM 621 C ILE A 44 1.848 4.740 -8.584 1.00 0.00 C ATOM 622 O ILE A 44 2.734 4.080 -9.126 1.00 0.00 O ATOM 623 CB ILE A 44 2.832 6.682 -7.363 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.328 6.068 -6.056 1.00 0.00 C ATOM 625 CG2 ILE A 44 2.890 8.199 -7.255 1.00 0.00 C ATOM 626 CD1 ILE A 44 3.330 6.148 -4.925 1.00 0.00 C ATOM 0 H ILE A 44 0.397 7.265 -7.510 1.00 0.00 H new ATOM 0 HA ILE A 44 2.356 6.631 -9.467 1.00 0.00 H new ATOM 0 HB ILE A 44 3.840 6.312 -7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.411 6.576 -5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.071 5.023 -6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.534 8.480 -6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.291 8.615 -8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.887 8.590 -7.086 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.905 5.694 -4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.239 5.616 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.569 7.192 -4.724 1.00 0.00 H new ATOM 638 N GLY A 45 0.781 4.189 -8.014 1.00 0.00 N ATOM 639 CA GLY A 45 0.606 2.748 -8.004 1.00 0.00 C ATOM 640 C GLY A 45 1.304 2.087 -6.832 1.00 0.00 C ATOM 641 O GLY A 45 2.070 2.730 -6.114 1.00 0.00 O ATOM 0 H GLY A 45 0.035 4.714 -7.559 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.458 2.515 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.992 2.332 -8.935 1.00 0.00 H new ATOM 645 N PHE A 46 1.039 0.800 -6.637 1.00 0.00 N ATOM 646 CA PHE A 46 1.645 0.052 -5.542 1.00 0.00 C ATOM 647 C PHE A 46 2.363 -1.190 -6.063 1.00 0.00 C ATOM 648 O PHE A 46 2.257 -1.533 -7.240 1.00 0.00 O ATOM 649 CB PHE A 46 0.580 -0.352 -4.520 1.00 0.00 C ATOM 650 CG PHE A 46 -0.225 -1.550 -4.935 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.058 -1.493 -6.040 1.00 0.00 C ATOM 652 CD2 PHE A 46 -0.148 -2.734 -4.220 1.00 0.00 C ATOM 653 CE1 PHE A 46 -1.800 -2.594 -6.425 1.00 0.00 C ATOM 654 CE2 PHE A 46 -0.886 -3.839 -4.600 1.00 0.00 C ATOM 655 CZ PHE A 46 -1.714 -3.768 -5.704 1.00 0.00 C ATOM 0 H PHE A 46 0.408 0.253 -7.223 1.00 0.00 H new ATOM 0 HA PHE A 46 2.378 0.697 -5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.064 -0.562 -3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.093 0.489 -4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.129 -0.577 -6.608 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.496 -2.794 -3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.446 -2.536 -7.289 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.816 -4.757 -4.035 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.293 -4.630 -6.002 1.00 0.00 H new ATOM 665 N VAL A 47 3.094 -1.859 -5.177 1.00 0.00 N ATOM 666 CA VAL A 47 3.829 -3.063 -5.546 1.00 0.00 C ATOM 667 C VAL A 47 3.594 -4.181 -4.537 1.00 0.00 C ATOM 668 O VAL A 47 4.021 -4.094 -3.385 1.00 0.00 O ATOM 669 CB VAL A 47 5.341 -2.788 -5.648 1.00 0.00 C ATOM 670 CG1 VAL A 47 6.083 -4.038 -6.095 1.00 0.00 C ATOM 671 CG2 VAL A 47 5.609 -1.631 -6.599 1.00 0.00 C ATOM 0 H VAL A 47 3.193 -1.588 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 47 3.457 -3.374 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 47 5.709 -2.510 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.150 -3.824 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.918 -4.837 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.714 -4.350 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.682 -1.450 -6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.227 -1.878 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.110 -0.734 -6.231 1.00 0.00 H new ATOM 681 N LYS A 48 2.912 -5.233 -4.976 1.00 0.00 N ATOM 682 CA LYS A 48 2.621 -6.372 -4.113 1.00 0.00 C ATOM 683 C LYS A 48 3.907 -6.980 -3.562 1.00 0.00 C ATOM 684 O LYS A 48 4.801 -7.355 -4.319 1.00 0.00 O ATOM 685 CB LYS A 48 1.832 -7.433 -4.883 1.00 0.00 C ATOM 686 CG LYS A 48 0.326 -7.292 -4.743 1.00 0.00 C ATOM 687 CD LYS A 48 -0.135 -7.607 -3.330 1.00 0.00 C ATOM 688 CE LYS A 48 -0.373 -9.097 -3.141 1.00 0.00 C ATOM 689 NZ LYS A 48 -1.724 -9.508 -3.615 1.00 0.00 N ATOM 0 H LYS A 48 2.550 -5.321 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 48 2.020 -6.017 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.097 -7.376 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.130 -8.421 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.029 -6.277 -5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.170 -7.961 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.614 -7.264 -2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.053 -7.061 -3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.388 -9.658 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.265 -9.351 -2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.847 -10.530 -3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.451 -8.992 -3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.818 -9.289 -4.627 1.00 0.00 H new ATOM 703 N ASN A 49 3.991 -7.076 -2.239 1.00 0.00 N ATOM 704 CA ASN A 49 5.167 -7.640 -1.587 1.00 0.00 C ATOM 705 C ASN A 49 4.825 -8.143 -0.188 1.00 0.00 C ATOM 706 O ASN A 49 4.187 -7.441 0.596 1.00 0.00 O ATOM 707 CB ASN A 49 6.282 -6.594 -1.507 1.00 0.00 C ATOM 708 CG ASN A 49 7.647 -7.220 -1.292 1.00 0.00 C ATOM 709 OD1 ASN A 49 7.782 -8.443 -1.256 1.00 0.00 O ATOM 710 ND2 ASN A 49 8.666 -6.381 -1.147 1.00 0.00 N ATOM 0 H ASN A 49 3.259 -6.771 -1.598 1.00 0.00 H new ATOM 0 HA ASN A 49 5.512 -8.485 -2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.294 -6.009 -2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.070 -5.902 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.608 -6.743 -0.999 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.507 -5.374 -1.184 1.00 0.00 H new ATOM 717 N ALA A 50 5.254 -9.363 0.117 1.00 0.00 N ATOM 718 CA ALA A 50 4.996 -9.959 1.422 1.00 0.00 C ATOM 719 C ALA A 50 3.555 -9.718 1.860 1.00 0.00 C ATOM 720 O ALA A 50 3.276 -9.556 3.048 1.00 0.00 O ATOM 721 CB ALA A 50 5.964 -9.405 2.457 1.00 0.00 C ATOM 0 H ALA A 50 5.782 -9.958 -0.522 1.00 0.00 H new ATOM 0 HA ALA A 50 5.148 -11.035 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.759 -9.859 3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.987 -9.634 2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.840 -8.324 2.529 1.00 0.00 H new ATOM 727 N GLY A 51 2.643 -9.695 0.893 1.00 0.00 N ATOM 728 CA GLY A 51 1.242 -9.472 1.200 1.00 0.00 C ATOM 729 C GLY A 51 0.980 -8.076 1.729 1.00 0.00 C ATOM 730 O GLY A 51 0.118 -7.882 2.587 1.00 0.00 O ATOM 0 H GLY A 51 2.849 -9.827 -0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.646 -9.635 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.914 -10.204 1.938 1.00 0.00 H new ATOM 734 N ARG A 52 1.724 -7.101 1.217 1.00 0.00 N ATOM 735 CA ARG A 52 1.569 -5.716 1.645 1.00 0.00 C ATOM 736 C ARG A 52 1.717 -4.762 0.464 1.00 0.00 C ATOM 737 O ARG A 52 2.560 -4.966 -0.410 1.00 0.00 O ATOM 738 CB ARG A 52 2.600 -5.375 2.723 1.00 0.00 C ATOM 739 CG ARG A 52 2.529 -6.279 3.942 1.00 0.00 C ATOM 740 CD ARG A 52 3.795 -6.187 4.779 1.00 0.00 C ATOM 741 NE ARG A 52 3.908 -7.294 5.725 1.00 0.00 N ATOM 742 CZ ARG A 52 4.660 -7.252 6.819 1.00 0.00 C ATOM 743 NH1 ARG A 52 5.361 -6.164 7.105 1.00 0.00 N ATOM 744 NH2 ARG A 52 4.711 -8.301 7.631 1.00 0.00 N ATOM 0 H ARG A 52 2.440 -7.245 0.505 1.00 0.00 H new ATOM 0 HA ARG A 52 0.568 -5.600 2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.599 -5.439 2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.455 -4.342 3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.668 -6.003 4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.377 -7.310 3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.664 -6.182 4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.802 -5.243 5.324 1.00 0.00 H new ATOM 0 HE ARG A 52 3.380 -8.146 5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.324 -5.356 6.484 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.937 -6.135 7.946 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.173 -9.140 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.289 -8.268 8.471 1.00 0.00 H new ATOM 758 N HIS A 53 0.892 -3.720 0.445 1.00 0.00 N ATOM 759 CA HIS A 53 0.931 -2.734 -0.629 1.00 0.00 C ATOM 760 C HIS A 53 1.987 -1.669 -0.351 1.00 0.00 C ATOM 761 O HIS A 53 1.835 -0.852 0.559 1.00 0.00 O ATOM 762 CB HIS A 53 -0.440 -2.078 -0.798 1.00 0.00 C ATOM 763 CG HIS A 53 -0.918 -1.366 0.429 1.00 0.00 C ATOM 764 ND1 HIS A 53 -1.994 -0.504 0.428 1.00 0.00 N ATOM 765 CD2 HIS A 53 -0.461 -1.393 1.703 1.00 0.00 C ATOM 766 CE1 HIS A 53 -2.178 -0.030 1.647 1.00 0.00 C ATOM 767 NE2 HIS A 53 -1.261 -0.554 2.440 1.00 0.00 N ATOM 0 H HIS A 53 0.189 -3.537 1.161 1.00 0.00 H new ATOM 0 HA HIS A 53 1.195 -3.250 -1.552 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.395 -1.369 -1.625 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.168 -2.842 -1.072 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -2.560 -0.269 -0.387 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.376 -1.967 2.071 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.947 0.667 1.945 1.00 0.00 H new ATOM 776 N LEU A 54 3.057 -1.682 -1.138 1.00 0.00 N ATOM 777 CA LEU A 54 4.139 -0.718 -0.976 1.00 0.00 C ATOM 778 C LEU A 54 4.282 0.155 -2.219 1.00 0.00 C ATOM 779 O LEU A 54 3.635 -0.088 -3.239 1.00 0.00 O ATOM 780 CB LEU A 54 5.456 -1.442 -0.693 1.00 0.00 C ATOM 781 CG LEU A 54 5.350 -2.739 0.110 1.00 0.00 C ATOM 782 CD1 LEU A 54 6.656 -3.515 0.046 1.00 0.00 C ATOM 783 CD2 LEU A 54 4.974 -2.442 1.555 1.00 0.00 C ATOM 0 H LEU A 54 3.198 -2.350 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 54 3.896 -0.076 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.936 -1.666 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.115 -0.759 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 54 4.565 -3.353 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.561 -4.435 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.883 -3.760 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.461 -2.908 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.903 -3.376 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.737 -1.808 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.013 -1.929 1.583 1.00 0.00 H new ATOM 795 N CYS A 55 5.135 1.169 -2.129 1.00 0.00 N ATOM 796 CA CYS A 55 5.365 2.077 -3.246 1.00 0.00 C ATOM 797 C CYS A 55 6.710 1.794 -3.908 1.00 0.00 C ATOM 798 O CYS A 55 7.664 1.379 -3.249 1.00 0.00 O ATOM 799 CB CYS A 55 5.315 3.530 -2.768 1.00 0.00 C ATOM 800 SG CYS A 55 6.717 4.013 -1.709 1.00 0.00 S ATOM 0 H CYS A 55 5.679 1.383 -1.293 1.00 0.00 H new ATOM 0 HA CYS A 55 4.577 1.916 -3.981 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.287 4.187 -3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.387 3.689 -2.219 1.00 0.00 H new ATOM 805 N ARG A 56 6.779 2.022 -5.216 1.00 0.00 N ATOM 806 CA ARG A 56 8.006 1.790 -5.968 1.00 0.00 C ATOM 807 C ARG A 56 9.232 2.141 -5.130 1.00 0.00 C ATOM 808 O ARG A 56 10.156 1.342 -4.973 1.00 0.00 O ATOM 809 CB ARG A 56 8.003 2.615 -7.256 1.00 0.00 C ATOM 810 CG ARG A 56 7.609 1.818 -8.489 1.00 0.00 C ATOM 811 CD ARG A 56 8.343 2.309 -9.728 1.00 0.00 C ATOM 812 NE ARG A 56 9.583 1.573 -9.957 1.00 0.00 N ATOM 813 CZ ARG A 56 10.637 2.085 -10.583 1.00 0.00 C ATOM 814 NH1 ARG A 56 10.601 3.329 -11.039 1.00 0.00 N ATOM 815 NH2 ARG A 56 11.730 1.352 -10.754 1.00 0.00 N ATOM 0 H ARG A 56 6.000 2.367 -5.776 1.00 0.00 H new ATOM 0 HA ARG A 56 8.052 0.731 -6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.315 3.452 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.996 3.038 -7.409 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.830 0.763 -8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.533 1.897 -8.647 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.695 2.206 -10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.566 3.370 -9.620 1.00 0.00 H new ATOM 0 HE ARG A 56 9.643 0.613 -9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.763 3.896 -10.910 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.412 3.720 -11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.762 0.394 -10.405 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.538 1.746 -11.235 1.00 0.00 H new ATOM 829 N PRO A 57 9.242 3.363 -4.579 1.00 0.00 N ATOM 830 CA PRO A 57 10.348 3.848 -3.747 1.00 0.00 C ATOM 831 C PRO A 57 10.760 2.836 -2.683 1.00 0.00 C ATOM 832 O PRO A 57 11.867 2.299 -2.717 1.00 0.00 O ATOM 833 CB PRO A 57 9.776 5.108 -3.094 1.00 0.00 C ATOM 834 CG PRO A 57 8.725 5.580 -4.039 1.00 0.00 C ATOM 835 CD PRO A 57 8.175 4.367 -4.724 1.00 0.00 C ATOM 0 HA PRO A 57 11.250 4.028 -4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.356 4.889 -2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.547 5.864 -2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.937 6.112 -3.505 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.144 6.276 -4.765 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.247 4.033 -4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.954 4.566 -5.773 1.00 0.00 H new ATOM 843 N CYS A 58 9.861 2.579 -1.738 1.00 0.00 N ATOM 844 CA CYS A 58 10.130 1.632 -0.664 1.00 0.00 C ATOM 845 C CYS A 58 10.483 0.258 -1.225 1.00 0.00 C ATOM 846 O CYS A 58 11.618 -0.204 -1.099 1.00 0.00 O ATOM 847 CB CYS A 58 8.916 1.520 0.261 1.00 0.00 C ATOM 848 SG CYS A 58 8.517 3.058 1.153 1.00 0.00 S ATOM 0 H CYS A 58 8.940 3.014 -1.695 1.00 0.00 H new ATOM 0 HA CYS A 58 10.982 2.002 -0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.050 1.219 -0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.098 0.728 0.987 1.00 0.00 H new ATOM 853 N HIS A 59 9.503 -0.391 -1.847 1.00 0.00 N ATOM 854 CA HIS A 59 9.710 -1.712 -2.429 1.00 0.00 C ATOM 855 C HIS A 59 11.093 -1.815 -3.066 1.00 0.00 C ATOM 856 O HIS A 59 11.823 -2.777 -2.835 1.00 0.00 O ATOM 857 CB HIS A 59 8.632 -2.008 -3.472 1.00 0.00 C ATOM 858 CG HIS A 59 8.929 -3.209 -4.316 1.00 0.00 C ATOM 859 ND1 HIS A 59 9.063 -4.479 -3.796 1.00 0.00 N ATOM 860 CD2 HIS A 59 9.115 -3.329 -5.652 1.00 0.00 C ATOM 861 CE1 HIS A 59 9.320 -5.328 -4.775 1.00 0.00 C ATOM 862 NE2 HIS A 59 9.357 -4.655 -5.911 1.00 0.00 N ATOM 0 H HIS A 59 8.558 -0.023 -1.961 1.00 0.00 H new ATOM 0 HA HIS A 59 9.642 -2.449 -1.629 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.679 -2.157 -2.965 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.516 -1.139 -4.119 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.080 -2.530 -6.378 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.474 -6.391 -4.665 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.536 -5.056 -6.832 1.00 0.00 H new ATOM 871 N ASN A 60 11.445 -0.815 -3.869 1.00 0.00 N ATOM 872 CA ASN A 60 12.740 -0.794 -4.540 1.00 0.00 C ATOM 873 C ASN A 60 13.876 -0.957 -3.535 1.00 0.00 C ATOM 874 O ASN A 60 14.842 -1.678 -3.787 1.00 0.00 O ATOM 875 CB ASN A 60 12.914 0.513 -5.316 1.00 0.00 C ATOM 876 CG ASN A 60 12.404 0.412 -6.741 1.00 0.00 C ATOM 877 OD1 ASN A 60 11.497 1.310 -7.110 1.00 0.00 O flip ATOM 878 ND2 ASN A 60 12.820 -0.463 -7.500 1.00 0.00 N flip ATOM 0 H ASN A 60 10.852 -0.010 -4.070 1.00 0.00 H new ATOM 0 HA ASN A 60 12.774 -1.631 -5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.384 1.313 -4.799 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.969 0.787 -5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.517 -1.132 -7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.467 -0.519 -8.456 1.00 0.00 H new ATOM 885 N ARG A 61 13.753 -0.284 -2.396 1.00 0.00 N ATOM 886 CA ARG A 61 14.770 -0.354 -1.354 1.00 0.00 C ATOM 887 C ARG A 61 14.898 -1.775 -0.814 1.00 0.00 C ATOM 888 O ARG A 61 16.004 -2.267 -0.594 1.00 0.00 O ATOM 889 CB ARG A 61 14.428 0.607 -0.214 1.00 0.00 C ATOM 890 CG ARG A 61 14.777 2.056 -0.513 1.00 0.00 C ATOM 891 CD ARG A 61 14.464 2.960 0.669 1.00 0.00 C ATOM 892 NE ARG A 61 14.425 4.369 0.286 1.00 0.00 N ATOM 893 CZ ARG A 61 14.634 5.368 1.135 1.00 0.00 C ATOM 894 NH1 ARG A 61 14.898 5.115 2.410 1.00 0.00 N ATOM 895 NH2 ARG A 61 14.582 6.624 0.711 1.00 0.00 N ATOM 0 H ARG A 61 12.959 0.316 -2.171 1.00 0.00 H new ATOM 0 HA ARG A 61 15.725 -0.063 -1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.362 0.536 0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.957 0.293 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.836 2.133 -0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.220 2.393 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.504 2.675 1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.216 2.816 1.445 1.00 0.00 H new ATOM 0 HE ARG A 61 14.226 4.598 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.941 4.151 2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.058 5.885 3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.381 6.824 -0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.743 7.390 1.365 1.00 0.00 H new ATOM 909 N GLU A 62 13.759 -2.428 -0.604 1.00 0.00 N ATOM 910 CA GLU A 62 13.746 -3.792 -0.088 1.00 0.00 C ATOM 911 C GLU A 62 14.229 -4.778 -1.147 1.00 0.00 C ATOM 912 O GLU A 62 15.228 -5.473 -0.956 1.00 0.00 O ATOM 913 CB GLU A 62 12.338 -4.172 0.374 1.00 0.00 C ATOM 914 CG GLU A 62 11.578 -3.025 1.019 1.00 0.00 C ATOM 915 CD GLU A 62 10.575 -3.499 2.053 1.00 0.00 C ATOM 916 OE1 GLU A 62 10.963 -3.646 3.231 1.00 0.00 O ATOM 917 OE2 GLU A 62 9.403 -3.722 1.685 1.00 0.00 O ATOM 0 H GLU A 62 12.835 -2.035 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 62 14.425 -3.838 0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.770 -4.537 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.408 -4.995 1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.287 -2.344 1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.058 -2.459 0.246 1.00 0.00 H new ATOM 924 N LYS A 63 13.513 -4.835 -2.265 1.00 0.00 N ATOM 925 CA LYS A 63 13.868 -5.735 -3.356 1.00 0.00 C ATOM 926 C LYS A 63 15.334 -5.570 -3.744 1.00 0.00 C ATOM 927 O LYS A 63 15.994 -6.531 -4.135 1.00 0.00 O ATOM 928 CB LYS A 63 12.975 -5.473 -4.571 1.00 0.00 C ATOM 929 CG LYS A 63 13.075 -4.054 -5.105 1.00 0.00 C ATOM 930 CD LYS A 63 14.124 -3.942 -6.198 1.00 0.00 C ATOM 931 CE LYS A 63 13.648 -4.580 -7.494 1.00 0.00 C ATOM 932 NZ LYS A 63 14.642 -4.416 -8.591 1.00 0.00 N ATOM 0 H LYS A 63 12.683 -4.268 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 63 13.715 -6.758 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.242 -6.171 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.939 -5.679 -4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.106 -3.742 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.324 -3.374 -4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.358 -2.892 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.045 -4.424 -5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.461 -5.641 -7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.700 -4.132 -7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.280 -4.864 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.802 -3.403 -8.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.539 -4.866 -8.317 1.00 0.00 H new ATOM 946 N ALA A 64 15.836 -4.344 -3.632 1.00 0.00 N ATOM 947 CA ALA A 64 17.224 -4.054 -3.968 1.00 0.00 C ATOM 948 C ALA A 64 18.147 -5.174 -3.501 1.00 0.00 C ATOM 949 O ALA A 64 18.865 -5.774 -4.301 1.00 0.00 O ATOM 950 CB ALA A 64 17.649 -2.728 -3.355 1.00 0.00 C ATOM 0 H ALA A 64 15.302 -3.536 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 64 17.302 -3.982 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.688 -2.524 -3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.015 -1.929 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.549 -2.780 -2.271 1.00 0.00 H new ATOM 956 N SER A 65 18.124 -5.451 -2.201 1.00 0.00 N ATOM 957 CA SER A 65 18.963 -6.497 -1.627 1.00 0.00 C ATOM 958 C SER A 65 18.453 -7.879 -2.021 1.00 0.00 C ATOM 959 O SER A 65 17.253 -8.083 -2.199 1.00 0.00 O ATOM 960 CB SER A 65 19.002 -6.369 -0.103 1.00 0.00 C ATOM 961 OG SER A 65 20.148 -7.007 0.433 1.00 0.00 O ATOM 0 H SER A 65 17.534 -4.966 -1.525 1.00 0.00 H new ATOM 0 HA SER A 65 19.973 -6.377 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 65 19.004 -5.315 0.177 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.102 -6.811 0.325 1.00 0.00 H new ATOM 0 HG SER A 65 20.151 -6.910 1.408 1.00 0.00 H new ATOM 967 N GLY A 66 19.375 -8.828 -2.155 1.00 0.00 N ATOM 968 CA GLY A 66 19.000 -10.180 -2.526 1.00 0.00 C ATOM 969 C GLY A 66 20.203 -11.077 -2.740 1.00 0.00 C ATOM 970 O GLY A 66 21.350 -10.670 -2.550 1.00 0.00 O ATOM 0 H GLY A 66 20.375 -8.684 -2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.368 -10.605 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.405 -10.151 -3.439 1.00 0.00 H new ATOM 974 N PRO A 67 19.948 -12.330 -3.144 1.00 0.00 N ATOM 975 CA PRO A 67 21.006 -13.314 -3.391 1.00 0.00 C ATOM 976 C PRO A 67 21.830 -12.979 -4.630 1.00 0.00 C ATOM 977 O PRO A 67 21.283 -12.755 -5.710 1.00 0.00 O ATOM 978 CB PRO A 67 20.235 -14.620 -3.599 1.00 0.00 C ATOM 979 CG PRO A 67 18.888 -14.193 -4.072 1.00 0.00 C ATOM 980 CD PRO A 67 18.605 -12.883 -3.390 1.00 0.00 C ATOM 0 HA PRO A 67 21.725 -13.354 -2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 67 20.728 -15.258 -4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 67 20.167 -15.191 -2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.873 -14.080 -5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.132 -14.936 -3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 67 18.008 -12.223 -4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 67 18.052 -13.024 -2.461 1.00 0.00 H new ATOM 988 N SER A 68 23.149 -12.946 -4.466 1.00 0.00 N ATOM 989 CA SER A 68 24.049 -12.635 -5.570 1.00 0.00 C ATOM 990 C SER A 68 23.704 -13.466 -6.803 1.00 0.00 C ATOM 991 O SER A 68 23.638 -14.693 -6.739 1.00 0.00 O ATOM 992 CB SER A 68 25.501 -12.889 -5.160 1.00 0.00 C ATOM 993 OG SER A 68 25.696 -14.243 -4.789 1.00 0.00 O ATOM 0 H SER A 68 23.618 -13.131 -3.579 1.00 0.00 H new ATOM 0 HA SER A 68 23.928 -11.581 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 68 26.165 -12.636 -5.986 1.00 0.00 H new ATOM 0 HB3 SER A 68 25.766 -12.238 -4.327 1.00 0.00 H new ATOM 0 HG SER A 68 25.015 -14.801 -5.219 1.00 0.00 H new ATOM 999 N SER A 69 23.484 -12.786 -7.924 1.00 0.00 N ATOM 1000 CA SER A 69 23.142 -13.460 -9.171 1.00 0.00 C ATOM 1001 C SER A 69 24.394 -13.755 -9.991 1.00 0.00 C ATOM 1002 O SER A 69 25.265 -12.900 -10.145 1.00 0.00 O ATOM 1003 CB SER A 69 22.173 -12.603 -9.989 1.00 0.00 C ATOM 1004 OG SER A 69 22.067 -13.082 -11.319 1.00 0.00 O ATOM 0 H SER A 69 23.536 -11.770 -7.994 1.00 0.00 H new ATOM 0 HA SER A 69 22.660 -14.406 -8.924 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.190 -12.609 -9.518 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.516 -11.568 -9.998 1.00 0.00 H new ATOM 0 HG SER A 69 21.441 -12.519 -11.821 1.00 0.00 H new ATOM 1010 N GLY A 70 24.477 -14.974 -10.515 1.00 0.00 N ATOM 1011 CA GLY A 70 25.626 -15.362 -11.313 1.00 0.00 C ATOM 1012 C GLY A 70 25.254 -15.687 -12.746 1.00 0.00 C ATOM 1013 O GLY A 70 25.440 -16.826 -13.169 1.00 0.00 O ATOM 0 H GLY A 70 23.769 -15.700 -10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 70 26.359 -14.555 -11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.103 -16.230 -10.859 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.355 4.305 2.429 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.658 3.632 0.498 1.00 0.00 ZN