USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 665 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 26 THR OG1 : rot 170:sc= 0 USER MOD Set 1.2: A 75 MET CE :methyl -174:sc= -1.62 (180deg=-1.72) USER MOD Set 2.1: A 18 SER OG : rot 140:sc= 0 USER MOD Set 2.2: A 21 HIS : no HD1:sc= -0.738 X(o=-0.74,f=-0.36) USER MOD Single : A 1 GLY N :NH3+ 175:sc= 0 (180deg=-0.0433) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0638 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 0.881 (180deg=0.717) USER MOD Single : A 17 SER OG : rot -110:sc= -2.04 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -123:sc= 0.702 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.317 F(o=-1,f=-0.32) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -82:sc= 0.105 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 25:sc= 0.219 USER MOD Single : A 41 ASN : amide:sc= -0.38 K(o=-0.38,f=-1.9) USER MOD Single : A 43 THR OG1 : rot -21:sc= 0.597 USER MOD Single : A 44 TYR OH : rot 0:sc= -0.572 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.21) USER MOD Single : A 56 GLN :FLIP amide:sc= -1.89 F(o=-2.6,f=-1.9) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.263 F(o=-1.3,f=-0.26) USER MOD Single : A 58 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.26) USER MOD Single : A 60 ASN : amide:sc= 0.0336 K(o=0.034,f=-5.1!) USER MOD Single : A 61 GLN : amide:sc= -7.63! C(o=-7.6!,f=-11!) USER MOD Single : A 63 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.38) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.505 USER MOD Single : A 68 LYS NZ :NH3+ -170:sc= -0.913 (180deg=-0.939) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0801) USER MOD Single : A 70 CYS SG : rot -82:sc= -0.902 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 34:sc= 0.194 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.500 22.198 16.452 1.00 0.00 N ATOM 2 CA GLY A 1 -1.284 23.170 15.396 1.00 0.00 C ATOM 3 C GLY A 1 -0.756 22.536 14.124 1.00 0.00 C ATOM 4 O GLY A 1 0.125 23.089 13.467 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.780 22.690 17.325 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.254 21.540 16.169 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.622 21.667 16.620 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.222 23.683 15.181 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.579 23.926 15.741 1.00 0.00 H new ATOM 8 N SER A 2 -1.295 21.372 13.777 1.00 0.00 N ATOM 9 CA SER A 2 -0.869 20.660 12.578 1.00 0.00 C ATOM 10 C SER A 2 -1.901 20.806 11.464 1.00 0.00 C ATOM 11 O SER A 2 -2.212 19.845 10.760 1.00 0.00 O ATOM 12 CB SER A 2 -0.646 19.179 12.891 1.00 0.00 C ATOM 13 OG SER A 2 0.378 19.010 13.855 1.00 0.00 O ATOM 0 H SER A 2 -2.027 20.902 14.309 1.00 0.00 H new ATOM 0 HA SER A 2 0.070 21.098 12.240 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.573 18.738 13.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.381 18.647 11.977 1.00 0.00 H new ATOM 0 HG SER A 2 0.500 18.055 14.039 1.00 0.00 H new ATOM 19 N SER A 3 -2.429 22.016 11.310 1.00 0.00 N ATOM 20 CA SER A 3 -3.429 22.289 10.284 1.00 0.00 C ATOM 21 C SER A 3 -2.789 22.934 9.059 1.00 0.00 C ATOM 22 O SER A 3 -1.595 23.232 9.053 1.00 0.00 O ATOM 23 CB SER A 3 -4.525 23.200 10.840 1.00 0.00 C ATOM 24 OG SER A 3 -5.648 23.233 9.976 1.00 0.00 O ATOM 0 H SER A 3 -2.181 22.823 11.883 1.00 0.00 H new ATOM 0 HA SER A 3 -3.873 21.340 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.830 22.847 11.825 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.133 24.209 10.970 1.00 0.00 H new ATOM 0 HG SER A 3 -6.335 23.821 10.355 1.00 0.00 H new ATOM 30 N GLY A 4 -3.592 23.146 8.021 1.00 0.00 N ATOM 31 CA GLY A 4 -3.088 23.754 6.804 1.00 0.00 C ATOM 32 C GLY A 4 -2.602 22.727 5.801 1.00 0.00 C ATOM 33 O GLY A 4 -1.420 22.692 5.460 1.00 0.00 O ATOM 0 H GLY A 4 -4.583 22.907 8.001 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.875 24.357 6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.270 24.431 7.051 1.00 0.00 H new ATOM 37 N SER A 5 -3.516 21.886 5.328 1.00 0.00 N ATOM 38 CA SER A 5 -3.174 20.848 4.362 1.00 0.00 C ATOM 39 C SER A 5 -4.187 20.812 3.222 1.00 0.00 C ATOM 40 O SER A 5 -5.207 21.500 3.261 1.00 0.00 O ATOM 41 CB SER A 5 -3.112 19.483 5.049 1.00 0.00 C ATOM 42 OG SER A 5 -1.820 19.234 5.575 1.00 0.00 O ATOM 0 H SER A 5 -4.499 21.903 5.598 1.00 0.00 H new ATOM 0 HA SER A 5 -2.194 21.082 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.849 19.443 5.851 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.374 18.701 4.336 1.00 0.00 H new ATOM 0 HG SER A 5 -1.808 18.356 6.010 1.00 0.00 H new ATOM 48 N SER A 6 -3.898 20.004 2.207 1.00 0.00 N ATOM 49 CA SER A 6 -4.781 19.879 1.054 1.00 0.00 C ATOM 50 C SER A 6 -5.481 18.523 1.049 1.00 0.00 C ATOM 51 O SER A 6 -5.083 17.609 0.329 1.00 0.00 O ATOM 52 CB SER A 6 -3.990 20.061 -0.243 1.00 0.00 C ATOM 53 OG SER A 6 -4.856 20.279 -1.343 1.00 0.00 O ATOM 0 H SER A 6 -3.059 19.426 2.160 1.00 0.00 H new ATOM 0 HA SER A 6 -5.539 20.659 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.308 20.905 -0.141 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.379 19.177 -0.427 1.00 0.00 H new ATOM 0 HG SER A 6 -4.326 20.394 -2.159 1.00 0.00 H new ATOM 59 N GLY A 7 -6.528 18.402 1.860 1.00 0.00 N ATOM 60 CA GLY A 7 -7.268 17.156 1.935 1.00 0.00 C ATOM 61 C GLY A 7 -6.631 16.160 2.884 1.00 0.00 C ATOM 62 O GLY A 7 -5.678 16.489 3.591 1.00 0.00 O ATOM 0 H GLY A 7 -6.877 19.145 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.288 17.362 2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.333 16.715 0.940 1.00 0.00 H new ATOM 66 N ILE A 8 -7.158 14.941 2.900 1.00 0.00 N ATOM 67 CA ILE A 8 -6.635 13.895 3.770 1.00 0.00 C ATOM 68 C ILE A 8 -5.381 13.262 3.176 1.00 0.00 C ATOM 69 O ILE A 8 -5.190 13.264 1.960 1.00 0.00 O ATOM 70 CB ILE A 8 -7.683 12.794 4.020 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.985 13.407 4.540 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.146 11.765 5.004 1.00 0.00 C ATOM 73 CD1 ILE A 8 -10.141 12.433 4.571 1.00 0.00 C ATOM 0 H ILE A 8 -7.947 14.653 2.321 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.385 14.370 4.719 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.892 12.291 3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.819 13.793 5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.253 14.257 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.898 10.994 5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.243 11.310 4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.912 12.254 5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -11.031 12.936 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.334 12.065 3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.893 11.595 5.222 1.00 0.00 H new ATOM 85 N GLU A 9 -4.531 12.720 4.042 1.00 0.00 N ATOM 86 CA GLU A 9 -3.296 12.082 3.602 1.00 0.00 C ATOM 87 C GLU A 9 -3.336 10.579 3.863 1.00 0.00 C ATOM 88 O GLU A 9 -4.120 10.101 4.683 1.00 0.00 O ATOM 89 CB GLU A 9 -2.093 12.702 4.316 1.00 0.00 C ATOM 90 CG GLU A 9 -1.638 14.019 3.709 1.00 0.00 C ATOM 91 CD GLU A 9 -0.392 14.569 4.376 1.00 0.00 C ATOM 92 OE1 GLU A 9 -0.509 15.113 5.494 1.00 0.00 O ATOM 93 OE2 GLU A 9 0.700 14.454 3.780 1.00 0.00 O ATOM 0 H GLU A 9 -4.675 12.710 5.052 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.197 12.244 2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.346 12.863 5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.264 11.995 4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.444 13.877 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.442 14.750 3.791 1.00 0.00 H new ATOM 100 N CYS A 10 -2.487 9.839 3.158 1.00 0.00 N ATOM 101 CA CYS A 10 -2.425 8.390 3.311 1.00 0.00 C ATOM 102 C CYS A 10 -1.693 8.010 4.595 1.00 0.00 C ATOM 103 O CYS A 10 -0.515 8.325 4.768 1.00 0.00 O ATOM 104 CB CYS A 10 -1.725 7.759 2.106 1.00 0.00 C ATOM 105 SG CYS A 10 -1.702 5.938 2.130 1.00 0.00 S ATOM 0 H CYS A 10 -1.832 10.219 2.475 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.445 8.011 3.369 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.221 8.094 1.195 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.699 8.124 2.063 1.00 0.00 H new ATOM 110 N VAL A 11 -2.399 7.329 5.492 1.00 0.00 N ATOM 111 CA VAL A 11 -1.817 6.904 6.760 1.00 0.00 C ATOM 112 C VAL A 11 -0.766 5.820 6.546 1.00 0.00 C ATOM 113 O VAL A 11 -0.175 5.316 7.501 1.00 0.00 O ATOM 114 CB VAL A 11 -2.896 6.375 7.724 1.00 0.00 C ATOM 115 CG1 VAL A 11 -3.830 7.498 8.147 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.673 5.238 7.080 1.00 0.00 C ATOM 0 H VAL A 11 -3.375 7.060 5.364 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.345 7.782 7.202 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.404 5.988 8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.586 7.106 8.828 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.258 8.277 8.650 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.317 7.917 7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.431 4.876 7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.156 5.596 6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.990 4.425 6.832 1.00 0.00 H new ATOM 126 N VAL A 12 -0.538 5.465 5.285 1.00 0.00 N ATOM 127 CA VAL A 12 0.442 4.441 4.945 1.00 0.00 C ATOM 128 C VAL A 12 1.705 5.063 4.358 1.00 0.00 C ATOM 129 O VAL A 12 2.815 4.788 4.815 1.00 0.00 O ATOM 130 CB VAL A 12 -0.132 3.426 3.939 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.870 2.313 3.672 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.449 2.859 4.448 1.00 0.00 C ATOM 0 H VAL A 12 -1.019 5.872 4.483 1.00 0.00 H new ATOM 0 HA VAL A 12 0.692 3.922 5.870 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.324 3.942 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.447 1.606 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.785 2.738 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.097 1.796 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.841 2.144 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.285 2.358 5.402 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.166 3.669 4.582 1.00 0.00 H new ATOM 142 N CYS A 13 1.528 5.903 3.344 1.00 0.00 N ATOM 143 CA CYS A 13 2.652 6.565 2.694 1.00 0.00 C ATOM 144 C CYS A 13 2.553 8.080 2.846 1.00 0.00 C ATOM 145 O CYS A 13 3.524 8.802 2.621 1.00 0.00 O ATOM 146 CB CYS A 13 2.702 6.192 1.211 1.00 0.00 C ATOM 147 SG CYS A 13 1.235 6.710 0.264 1.00 0.00 S ATOM 0 H CYS A 13 0.616 6.141 2.955 1.00 0.00 H new ATOM 0 HA CYS A 13 3.569 6.228 3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.588 6.643 0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.815 5.111 1.123 1.00 0.00 H new ATOM 152 N GLY A 14 1.372 8.555 3.229 1.00 0.00 N ATOM 153 CA GLY A 14 1.167 9.981 3.404 1.00 0.00 C ATOM 154 C GLY A 14 0.509 10.625 2.200 1.00 0.00 C ATOM 155 O GLY A 14 -0.063 11.710 2.303 1.00 0.00 O ATOM 0 H GLY A 14 0.553 7.978 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.549 10.150 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.127 10.463 3.590 1.00 0.00 H new ATOM 159 N ASP A 15 0.592 9.956 1.055 1.00 0.00 N ATOM 160 CA ASP A 15 0.000 10.470 -0.175 1.00 0.00 C ATOM 161 C ASP A 15 -1.448 10.890 0.053 1.00 0.00 C ATOM 162 O ASP A 15 -2.199 10.214 0.757 1.00 0.00 O ATOM 163 CB ASP A 15 0.071 9.415 -1.280 1.00 0.00 C ATOM 164 CG ASP A 15 -0.367 9.957 -2.626 1.00 0.00 C ATOM 165 OD1 ASP A 15 -0.187 11.169 -2.866 1.00 0.00 O ATOM 166 OD2 ASP A 15 -0.889 9.168 -3.441 1.00 0.00 O ATOM 0 H ASP A 15 1.063 9.057 0.953 1.00 0.00 H new ATOM 0 HA ASP A 15 0.569 11.347 -0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.092 9.041 -1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.559 8.567 -1.010 1.00 0.00 H new ATOM 171 N LYS A 16 -1.835 12.011 -0.546 1.00 0.00 N ATOM 172 CA LYS A 16 -3.194 12.523 -0.409 1.00 0.00 C ATOM 173 C LYS A 16 -4.215 11.396 -0.536 1.00 0.00 C ATOM 174 O LYS A 16 -4.504 10.930 -1.638 1.00 0.00 O ATOM 175 CB LYS A 16 -3.466 13.594 -1.468 1.00 0.00 C ATOM 176 CG LYS A 16 -4.588 14.547 -1.093 1.00 0.00 C ATOM 177 CD LYS A 16 -5.935 14.042 -1.581 1.00 0.00 C ATOM 178 CE LYS A 16 -7.084 14.763 -0.891 1.00 0.00 C ATOM 179 NZ LYS A 16 -8.357 13.996 -0.986 1.00 0.00 N ATOM 0 H LYS A 16 -1.226 12.583 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.291 12.967 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.554 14.167 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.714 13.106 -2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.615 14.670 -0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.390 15.530 -1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.009 14.185 -2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.012 12.971 -1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.834 14.924 0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.218 15.747 -1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.038 14.366 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.750 14.094 -1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.173 12.992 -0.788 1.00 0.00 H new ATOM 193 N SER A 17 -4.758 10.965 0.598 1.00 0.00 N ATOM 194 CA SER A 17 -5.745 9.892 0.613 1.00 0.00 C ATOM 195 C SER A 17 -6.900 10.203 -0.333 1.00 0.00 C ATOM 196 O SER A 17 -7.393 11.330 -0.379 1.00 0.00 O ATOM 197 CB SER A 17 -6.275 9.678 2.032 1.00 0.00 C ATOM 198 OG SER A 17 -7.221 8.624 2.069 1.00 0.00 O ATOM 0 H SER A 17 -4.531 11.342 1.518 1.00 0.00 H new ATOM 0 HA SER A 17 -5.257 8.978 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.446 9.451 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.736 10.597 2.394 1.00 0.00 H new ATOM 0 HG SER A 17 -8.114 8.992 2.237 1.00 0.00 H new ATOM 204 N SER A 18 -7.327 9.195 -1.087 1.00 0.00 N ATOM 205 CA SER A 18 -8.422 9.361 -2.036 1.00 0.00 C ATOM 206 C SER A 18 -9.765 9.070 -1.372 1.00 0.00 C ATOM 207 O SER A 18 -10.716 8.648 -2.028 1.00 0.00 O ATOM 208 CB SER A 18 -8.226 8.438 -3.241 1.00 0.00 C ATOM 209 OG SER A 18 -8.080 7.090 -2.832 1.00 0.00 O ATOM 0 H SER A 18 -6.932 8.255 -1.059 1.00 0.00 H new ATOM 0 HA SER A 18 -8.421 10.396 -2.376 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.079 8.527 -3.914 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.344 8.749 -3.802 1.00 0.00 H new ATOM 0 HG SER A 18 -8.566 6.506 -3.451 1.00 0.00 H new ATOM 215 N GLY A 19 -9.833 9.298 -0.064 1.00 0.00 N ATOM 216 CA GLY A 19 -11.062 9.055 0.668 1.00 0.00 C ATOM 217 C GLY A 19 -10.943 7.891 1.632 1.00 0.00 C ATOM 218 O GLY A 19 -10.022 7.081 1.527 1.00 0.00 O ATOM 0 H GLY A 19 -9.059 9.647 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.336 9.954 1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.869 8.857 -0.038 1.00 0.00 H new ATOM 222 N LYS A 20 -11.875 7.808 2.575 1.00 0.00 N ATOM 223 CA LYS A 20 -11.871 6.735 3.563 1.00 0.00 C ATOM 224 C LYS A 20 -12.058 5.378 2.893 1.00 0.00 C ATOM 225 O LYS A 20 -13.172 5.007 2.520 1.00 0.00 O ATOM 226 CB LYS A 20 -12.976 6.962 4.597 1.00 0.00 C ATOM 227 CG LYS A 20 -12.985 5.932 5.713 1.00 0.00 C ATOM 228 CD LYS A 20 -13.878 6.365 6.864 1.00 0.00 C ATOM 229 CE LYS A 20 -13.146 7.296 7.818 1.00 0.00 C ATOM 230 NZ LYS A 20 -14.004 7.701 8.966 1.00 0.00 N ATOM 0 H LYS A 20 -12.643 8.471 2.676 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.904 6.742 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.858 7.955 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.942 6.948 4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.331 4.975 5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.969 5.780 6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.762 6.867 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.225 5.486 7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.249 6.801 8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.818 8.185 7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.469 8.335 9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.847 8.196 8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.296 6.855 9.496 1.00 0.00 H new ATOM 244 N HIS A 21 -10.963 4.640 2.744 1.00 0.00 N ATOM 245 CA HIS A 21 -11.007 3.322 2.121 1.00 0.00 C ATOM 246 C HIS A 21 -10.682 2.230 3.135 1.00 0.00 C ATOM 247 O HIS A 21 -9.690 2.316 3.859 1.00 0.00 O ATOM 248 CB HIS A 21 -10.026 3.255 0.950 1.00 0.00 C ATOM 249 CG HIS A 21 -10.528 3.927 -0.291 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.840 3.856 -0.708 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.885 4.689 -1.206 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.982 4.543 -1.827 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.810 5.059 -2.151 1.00 0.00 N ATOM 0 H HIS A 21 -10.034 4.932 3.046 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.018 3.158 1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.085 3.717 1.248 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.811 2.210 0.726 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.839 4.956 -1.195 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.900 4.663 -2.383 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -10.623 5.638 -2.970 1.00 0.00 H new ATOM 261 N TYR A 22 -11.525 1.204 3.183 1.00 0.00 N ATOM 262 CA TYR A 22 -11.330 0.097 4.111 1.00 0.00 C ATOM 263 C TYR A 22 -11.457 0.568 5.557 1.00 0.00 C ATOM 264 O TYR A 22 -10.895 -0.034 6.470 1.00 0.00 O ATOM 265 CB TYR A 22 -9.958 -0.544 3.891 1.00 0.00 C ATOM 266 CG TYR A 22 -9.668 -0.871 2.444 1.00 0.00 C ATOM 267 CD1 TYR A 22 -10.207 -2.002 1.844 1.00 0.00 C ATOM 268 CD2 TYR A 22 -8.855 -0.047 1.675 1.00 0.00 C ATOM 269 CE1 TYR A 22 -9.943 -2.304 0.522 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.587 -0.340 0.352 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.133 -1.470 -0.219 1.00 0.00 C ATOM 272 OH TYR A 22 -8.869 -1.767 -1.537 1.00 0.00 O ATOM 0 H TYR A 22 -12.350 1.116 2.590 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.106 -0.644 3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.187 0.130 4.264 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.894 -1.458 4.481 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -10.843 -2.657 2.421 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.425 0.838 2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -10.369 -3.188 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.954 0.312 -0.231 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.900 -1.831 -1.670 1.00 0.00 H new ATOM 282 N GLY A 23 -12.202 1.652 5.756 1.00 0.00 N ATOM 283 CA GLY A 23 -12.391 2.187 7.091 1.00 0.00 C ATOM 284 C GLY A 23 -11.385 3.269 7.430 1.00 0.00 C ATOM 285 O GLY A 23 -11.637 4.111 8.292 1.00 0.00 O ATOM 0 H GLY A 23 -12.678 2.168 5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.399 2.593 7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.309 1.379 7.818 1.00 0.00 H new ATOM 289 N GLN A 24 -10.242 3.246 6.752 1.00 0.00 N ATOM 290 CA GLN A 24 -9.194 4.232 6.988 1.00 0.00 C ATOM 291 C GLN A 24 -8.923 5.050 5.730 1.00 0.00 C ATOM 292 O GLN A 24 -9.195 4.603 4.616 1.00 0.00 O ATOM 293 CB GLN A 24 -7.910 3.541 7.449 1.00 0.00 C ATOM 294 CG GLN A 24 -7.022 4.422 8.313 1.00 0.00 C ATOM 295 CD GLN A 24 -7.738 4.944 9.543 1.00 0.00 C ATOM 296 OE1 GLN A 24 -8.333 4.039 10.311 1.00 0.00 O flip ATOM 297 NE2 GLN A 24 -7.756 6.148 9.801 1.00 0.00 N flip ATOM 0 H GLN A 24 -10.018 2.556 6.035 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.535 4.908 7.772 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.171 2.643 8.009 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.346 3.218 6.574 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.144 3.855 8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.665 5.264 7.720 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.285 6.809 9.183 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.242 6.484 10.633 1.00 0.00 H new ATOM 306 N PHE A 25 -8.384 6.251 5.916 1.00 0.00 N ATOM 307 CA PHE A 25 -8.077 7.132 4.796 1.00 0.00 C ATOM 308 C PHE A 25 -6.741 6.758 4.159 1.00 0.00 C ATOM 309 O PHE A 25 -5.682 6.927 4.765 1.00 0.00 O ATOM 310 CB PHE A 25 -8.042 8.590 5.261 1.00 0.00 C ATOM 311 CG PHE A 25 -9.392 9.133 5.632 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.334 9.413 4.655 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.720 9.363 6.959 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.577 9.913 4.994 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.962 9.862 7.304 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.891 10.138 6.320 1.00 0.00 C ATOM 0 H PHE A 25 -8.151 6.636 6.832 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.862 7.014 4.049 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.377 8.673 6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.617 9.206 4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.094 9.238 3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.997 9.150 7.732 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.302 10.128 4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.206 10.036 8.342 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.862 10.529 6.587 1.00 0.00 H new ATOM 326 N THR A 26 -6.799 6.246 2.934 1.00 0.00 N ATOM 327 CA THR A 26 -5.597 5.846 2.215 1.00 0.00 C ATOM 328 C THR A 26 -5.653 6.291 0.758 1.00 0.00 C ATOM 329 O THR A 26 -6.732 6.431 0.182 1.00 0.00 O ATOM 330 CB THR A 26 -5.394 4.320 2.266 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.562 3.653 1.774 1.00 0.00 O ATOM 332 CG2 THR A 26 -5.102 3.860 3.686 1.00 0.00 C ATOM 0 H THR A 26 -7.667 6.099 2.419 1.00 0.00 H new ATOM 0 HA THR A 26 -4.757 6.334 2.709 1.00 0.00 H new ATOM 0 HB THR A 26 -4.540 4.068 1.637 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.369 2.699 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.962 2.779 3.697 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.196 4.347 4.047 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.938 4.124 4.333 1.00 0.00 H new ATOM 340 N CYS A 27 -4.483 6.512 0.167 1.00 0.00 N ATOM 341 CA CYS A 27 -4.398 6.942 -1.224 1.00 0.00 C ATOM 342 C CYS A 27 -4.778 5.805 -2.168 1.00 0.00 C ATOM 343 O CYS A 27 -5.058 4.690 -1.731 1.00 0.00 O ATOM 344 CB CYS A 27 -2.985 7.433 -1.542 1.00 0.00 C ATOM 345 SG CYS A 27 -1.733 6.111 -1.599 1.00 0.00 S ATOM 0 H CYS A 27 -3.581 6.400 0.630 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.101 7.762 -1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.998 7.948 -2.503 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.689 8.166 -0.792 1.00 0.00 H new ATOM 350 N GLU A 28 -4.785 6.098 -3.465 1.00 0.00 N ATOM 351 CA GLU A 28 -5.131 5.100 -4.471 1.00 0.00 C ATOM 352 C GLU A 28 -4.021 4.064 -4.613 1.00 0.00 C ATOM 353 O GLU A 28 -4.274 2.910 -4.956 1.00 0.00 O ATOM 354 CB GLU A 28 -5.392 5.773 -5.820 1.00 0.00 C ATOM 355 CG GLU A 28 -6.482 6.831 -5.773 1.00 0.00 C ATOM 356 CD GLU A 28 -6.757 7.447 -7.131 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.564 6.751 -8.149 1.00 0.00 O ATOM 358 OE2 GLU A 28 -7.165 8.627 -7.174 1.00 0.00 O ATOM 0 H GLU A 28 -4.555 7.017 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.039 4.592 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.468 6.231 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.668 5.011 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.399 6.385 -5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.191 7.616 -5.075 1.00 0.00 H new ATOM 365 N GLY A 29 -2.788 4.485 -4.348 1.00 0.00 N ATOM 366 CA GLY A 29 -1.657 3.582 -4.452 1.00 0.00 C ATOM 367 C GLY A 29 -1.732 2.440 -3.458 1.00 0.00 C ATOM 368 O GLY A 29 -1.541 1.279 -3.819 1.00 0.00 O ATOM 0 H GLY A 29 -2.552 5.436 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.611 3.177 -5.463 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.735 4.140 -4.290 1.00 0.00 H new ATOM 372 N CYS A 30 -2.010 2.770 -2.201 1.00 0.00 N ATOM 373 CA CYS A 30 -2.109 1.765 -1.150 1.00 0.00 C ATOM 374 C CYS A 30 -3.496 1.129 -1.133 1.00 0.00 C ATOM 375 O CYS A 30 -3.657 -0.028 -0.744 1.00 0.00 O ATOM 376 CB CYS A 30 -1.805 2.390 0.213 1.00 0.00 C ATOM 377 SG CYS A 30 -0.218 3.282 0.285 1.00 0.00 S ATOM 0 H CYS A 30 -2.171 3.727 -1.886 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.375 0.986 -1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.609 3.079 0.472 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.803 1.604 0.969 1.00 0.00 H new ATOM 382 N LYS A 31 -4.496 1.894 -1.557 1.00 0.00 N ATOM 383 CA LYS A 31 -5.870 1.408 -1.593 1.00 0.00 C ATOM 384 C LYS A 31 -5.959 0.084 -2.344 1.00 0.00 C ATOM 385 O LYS A 31 -6.568 -0.873 -1.866 1.00 0.00 O ATOM 386 CB LYS A 31 -6.783 2.444 -2.253 1.00 0.00 C ATOM 387 CG LYS A 31 -8.135 1.889 -2.666 1.00 0.00 C ATOM 388 CD LYS A 31 -8.138 1.455 -4.122 1.00 0.00 C ATOM 389 CE LYS A 31 -8.072 2.651 -5.060 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.268 2.252 -6.481 1.00 0.00 N ATOM 0 H LYS A 31 -4.380 2.854 -1.881 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.198 1.246 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.936 3.273 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.282 2.849 -3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.390 1.040 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.903 2.646 -2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.289 0.798 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.039 0.878 -4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.835 3.376 -4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.107 3.145 -4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.216 3.095 -7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.525 1.579 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.200 1.803 -6.590 1.00 0.00 H new ATOM 404 N SER A 32 -5.347 0.035 -3.523 1.00 0.00 N ATOM 405 CA SER A 32 -5.359 -1.171 -4.342 1.00 0.00 C ATOM 406 C SER A 32 -4.331 -2.179 -3.839 1.00 0.00 C ATOM 407 O SER A 32 -4.596 -3.381 -3.786 1.00 0.00 O ATOM 408 CB SER A 32 -5.077 -0.823 -5.804 1.00 0.00 C ATOM 409 OG SER A 32 -3.863 -0.102 -5.932 1.00 0.00 O ATOM 0 H SER A 32 -4.836 0.817 -3.932 1.00 0.00 H new ATOM 0 HA SER A 32 -6.349 -1.621 -4.268 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.025 -1.737 -6.395 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.899 -0.231 -6.205 1.00 0.00 H new ATOM 0 HG SER A 32 -4.023 0.845 -5.739 1.00 0.00 H new ATOM 415 N PHE A 33 -3.155 -1.682 -3.470 1.00 0.00 N ATOM 416 CA PHE A 33 -2.084 -2.538 -2.973 1.00 0.00 C ATOM 417 C PHE A 33 -2.556 -3.357 -1.775 1.00 0.00 C ATOM 418 O PHE A 33 -2.090 -4.475 -1.551 1.00 0.00 O ATOM 419 CB PHE A 33 -0.869 -1.695 -2.581 1.00 0.00 C ATOM 420 CG PHE A 33 0.205 -2.480 -1.884 1.00 0.00 C ATOM 421 CD1 PHE A 33 1.160 -3.171 -2.612 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.260 -2.526 -0.500 1.00 0.00 C ATOM 423 CE1 PHE A 33 2.149 -3.895 -1.972 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.247 -3.248 0.145 1.00 0.00 C ATOM 425 CZ PHE A 33 2.193 -3.932 -0.592 1.00 0.00 C ATOM 0 H PHE A 33 -2.919 -0.690 -3.506 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.800 -3.223 -3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.450 -1.237 -3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.195 -0.883 -1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.132 -3.144 -3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.477 -1.992 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.887 -4.431 -2.551 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.278 -3.277 1.224 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.966 -4.495 -0.090 1.00 0.00 H new ATOM 435 N PHE A 34 -3.483 -2.793 -1.008 1.00 0.00 N ATOM 436 CA PHE A 34 -4.018 -3.470 0.168 1.00 0.00 C ATOM 437 C PHE A 34 -4.973 -4.589 -0.236 1.00 0.00 C ATOM 438 O PHE A 34 -4.864 -5.718 0.244 1.00 0.00 O ATOM 439 CB PHE A 34 -4.739 -2.470 1.074 1.00 0.00 C ATOM 440 CG PHE A 34 -5.408 -3.108 2.258 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.656 -3.727 3.244 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.787 -3.089 2.385 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.268 -4.314 4.336 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.404 -3.675 3.475 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.644 -4.289 4.450 1.00 0.00 C ATOM 0 H PHE A 34 -3.879 -1.869 -1.179 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.184 -3.909 0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.022 -1.729 1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.487 -1.935 0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.580 -3.751 3.158 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.387 -2.611 1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.671 -4.791 5.099 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.480 -3.652 3.563 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.125 -4.749 5.301 1.00 0.00 H new ATOM 455 N LYS A 35 -5.911 -4.268 -1.120 1.00 0.00 N ATOM 456 CA LYS A 35 -6.886 -5.244 -1.591 1.00 0.00 C ATOM 457 C LYS A 35 -6.201 -6.374 -2.354 1.00 0.00 C ATOM 458 O LYS A 35 -6.239 -7.531 -1.934 1.00 0.00 O ATOM 459 CB LYS A 35 -7.926 -4.567 -2.486 1.00 0.00 C ATOM 460 CG LYS A 35 -8.652 -5.528 -3.411 1.00 0.00 C ATOM 461 CD LYS A 35 -9.449 -4.788 -4.472 1.00 0.00 C ATOM 462 CE LYS A 35 -9.700 -5.661 -5.691 1.00 0.00 C ATOM 463 NZ LYS A 35 -9.891 -4.850 -6.925 1.00 0.00 N ATOM 0 H LYS A 35 -6.017 -3.338 -1.525 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.386 -5.668 -0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.657 -4.059 -1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.434 -3.801 -3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.929 -6.187 -3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.321 -6.160 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.402 -4.464 -4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.911 -3.889 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.859 -6.341 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.583 -6.277 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.059 -5.482 -7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.709 -4.219 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.038 -4.281 -7.102 1.00 0.00 H new ATOM 477 N ARG A 36 -5.576 -6.030 -3.474 1.00 0.00 N ATOM 478 CA ARG A 36 -4.882 -7.015 -4.295 1.00 0.00 C ATOM 479 C ARG A 36 -4.242 -8.093 -3.426 1.00 0.00 C ATOM 480 O ARG A 36 -4.101 -9.242 -3.846 1.00 0.00 O ATOM 481 CB ARG A 36 -3.813 -6.335 -5.152 1.00 0.00 C ATOM 482 CG ARG A 36 -2.651 -5.776 -4.346 1.00 0.00 C ATOM 483 CD ARG A 36 -1.434 -5.527 -5.223 1.00 0.00 C ATOM 484 NE ARG A 36 -1.515 -4.248 -5.922 1.00 0.00 N ATOM 485 CZ ARG A 36 -2.127 -4.086 -7.090 1.00 0.00 C ATOM 486 NH1 ARG A 36 -2.709 -5.118 -7.685 1.00 0.00 N ATOM 487 NH2 ARG A 36 -2.158 -2.891 -7.665 1.00 0.00 N ATOM 0 H ARG A 36 -5.536 -5.077 -3.834 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.616 -7.487 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.429 -7.053 -5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.274 -5.526 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.953 -4.844 -3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.390 -6.473 -3.550 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.534 -5.548 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.341 -6.333 -5.951 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.078 -3.434 -5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.687 -6.038 -7.246 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.178 -4.991 -8.582 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.711 -2.095 -7.210 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.628 -2.769 -8.562 1.00 0.00 H new ATOM 501 N SER A 37 -3.856 -7.715 -2.211 1.00 0.00 N ATOM 502 CA SER A 37 -3.227 -8.648 -1.284 1.00 0.00 C ATOM 503 C SER A 37 -4.264 -9.278 -0.360 1.00 0.00 C ATOM 504 O SER A 37 -4.273 -10.492 -0.153 1.00 0.00 O ATOM 505 CB SER A 37 -2.156 -7.934 -0.456 1.00 0.00 C ATOM 506 OG SER A 37 -2.635 -6.695 0.036 1.00 0.00 O ATOM 0 H SER A 37 -3.968 -6.769 -1.846 1.00 0.00 H new ATOM 0 HA SER A 37 -2.757 -9.440 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.854 -8.568 0.378 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.269 -7.768 -1.068 1.00 0.00 H new ATOM 0 HG SER A 37 -3.612 -6.725 0.102 1.00 0.00 H new ATOM 512 N VAL A 38 -5.139 -8.444 0.194 1.00 0.00 N ATOM 513 CA VAL A 38 -6.182 -8.917 1.095 1.00 0.00 C ATOM 514 C VAL A 38 -7.153 -9.844 0.373 1.00 0.00 C ATOM 515 O VAL A 38 -7.295 -11.013 0.733 1.00 0.00 O ATOM 516 CB VAL A 38 -6.969 -7.744 1.708 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.245 -8.243 2.369 1.00 0.00 C ATOM 518 CG2 VAL A 38 -6.105 -6.986 2.704 1.00 0.00 C ATOM 0 H VAL A 38 -5.146 -7.437 0.034 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.684 -9.467 1.894 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.247 -7.059 0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.787 -7.400 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.870 -8.737 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.993 -8.950 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.677 -6.160 3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.794 -7.660 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.224 -6.594 2.197 1.00 0.00 H new ATOM 528 N ARG A 39 -7.820 -9.315 -0.647 1.00 0.00 N ATOM 529 CA ARG A 39 -8.779 -10.095 -1.420 1.00 0.00 C ATOM 530 C ARG A 39 -8.131 -11.361 -1.971 1.00 0.00 C ATOM 531 O ARG A 39 -8.806 -12.365 -2.204 1.00 0.00 O ATOM 532 CB ARG A 39 -9.344 -9.256 -2.568 1.00 0.00 C ATOM 533 CG ARG A 39 -8.325 -8.945 -3.653 1.00 0.00 C ATOM 534 CD ARG A 39 -8.321 -10.012 -4.736 1.00 0.00 C ATOM 535 NE ARG A 39 -9.623 -10.138 -5.385 1.00 0.00 N ATOM 536 CZ ARG A 39 -9.791 -10.638 -6.605 1.00 0.00 C ATOM 537 NH1 ARG A 39 -8.745 -11.058 -7.302 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.008 -10.720 -7.128 1.00 0.00 N ATOM 0 H ARG A 39 -7.714 -8.349 -0.958 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.594 -10.384 -0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.187 -9.785 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.732 -8.320 -2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.549 -7.975 -4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.332 -8.871 -3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.566 -9.767 -5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.039 -10.970 -4.300 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.449 -9.825 -4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.808 -10.998 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.876 -11.441 -8.238 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.815 -10.399 -6.594 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.136 -11.104 -8.064 1.00 0.00 H new ATOM 552 N ARG A 40 -6.820 -11.307 -2.179 1.00 0.00 N ATOM 553 CA ARG A 40 -6.081 -12.448 -2.704 1.00 0.00 C ATOM 554 C ARG A 40 -5.549 -13.320 -1.571 1.00 0.00 C ATOM 555 O ARG A 40 -5.174 -14.472 -1.784 1.00 0.00 O ATOM 556 CB ARG A 40 -4.923 -11.973 -3.583 1.00 0.00 C ATOM 557 CG ARG A 40 -5.370 -11.343 -4.892 1.00 0.00 C ATOM 558 CD ARG A 40 -4.211 -11.198 -5.866 1.00 0.00 C ATOM 559 NE ARG A 40 -3.726 -12.492 -6.336 1.00 0.00 N ATOM 560 CZ ARG A 40 -2.501 -12.690 -6.810 1.00 0.00 C ATOM 561 NH1 ARG A 40 -1.642 -11.682 -6.877 1.00 0.00 N ATOM 562 NH2 ARG A 40 -2.133 -13.897 -7.219 1.00 0.00 N ATOM 0 H ARG A 40 -6.247 -10.484 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.765 -13.044 -3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.328 -11.249 -3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.272 -12.820 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.151 -11.955 -5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.806 -10.364 -4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.527 -10.598 -6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.396 -10.659 -5.382 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.363 -13.288 -6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.921 -10.752 -6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.702 -11.836 -7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.791 -14.675 -7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.192 -14.047 -7.583 1.00 0.00 H new ATOM 576 N ASN A 41 -5.518 -12.761 -0.366 1.00 0.00 N ATOM 577 CA ASN A 41 -5.030 -13.487 0.802 1.00 0.00 C ATOM 578 C ASN A 41 -3.537 -13.776 0.678 1.00 0.00 C ATOM 579 O ASN A 41 -3.077 -14.872 1.001 1.00 0.00 O ATOM 580 CB ASN A 41 -5.802 -14.797 0.973 1.00 0.00 C ATOM 581 CG ASN A 41 -5.512 -15.470 2.300 1.00 0.00 C ATOM 582 OD1 ASN A 41 -4.846 -14.900 3.165 1.00 0.00 O ATOM 583 ND2 ASN A 41 -6.011 -16.689 2.467 1.00 0.00 N ATOM 0 H ASN A 41 -5.825 -11.808 -0.172 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.189 -12.862 1.680 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.871 -14.598 0.895 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.544 -15.476 0.160 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.848 -17.192 3.339 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.557 -17.123 1.723 1.00 0.00 H new ATOM 590 N LEU A 42 -2.786 -12.787 0.208 1.00 0.00 N ATOM 591 CA LEU A 42 -1.344 -12.934 0.042 1.00 0.00 C ATOM 592 C LEU A 42 -0.619 -12.732 1.369 1.00 0.00 C ATOM 593 O LEU A 42 -1.235 -12.396 2.381 1.00 0.00 O ATOM 594 CB LEU A 42 -0.825 -11.933 -0.993 1.00 0.00 C ATOM 595 CG LEU A 42 -1.658 -11.794 -2.268 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.068 -10.727 -3.177 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.746 -13.128 -2.996 1.00 0.00 C ATOM 0 H LEU A 42 -3.151 -11.875 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.145 -13.947 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.756 -10.954 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.187 -12.223 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.666 -11.488 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.674 -10.642 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.058 -9.770 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.049 -11.003 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.342 -13.010 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.744 -13.464 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.215 -13.867 -2.346 1.00 0.00 H new ATOM 609 N THR A 43 0.694 -12.937 1.357 1.00 0.00 N ATOM 610 CA THR A 43 1.504 -12.777 2.558 1.00 0.00 C ATOM 611 C THR A 43 2.978 -12.612 2.210 1.00 0.00 C ATOM 612 O THR A 43 3.650 -13.574 1.839 1.00 0.00 O ATOM 613 CB THR A 43 1.344 -13.979 3.508 1.00 0.00 C ATOM 614 OG1 THR A 43 -0.040 -14.179 3.817 1.00 0.00 O ATOM 615 CG2 THR A 43 2.129 -13.762 4.793 1.00 0.00 C ATOM 0 H THR A 43 1.220 -13.214 0.528 1.00 0.00 H new ATOM 0 HA THR A 43 1.149 -11.877 3.060 1.00 0.00 H new ATOM 0 HB THR A 43 1.736 -14.864 3.007 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.536 -13.351 3.646 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.001 -14.624 5.448 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.186 -13.640 4.557 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.763 -12.867 5.296 1.00 0.00 H new ATOM 623 N TYR A 44 3.477 -11.386 2.332 1.00 0.00 N ATOM 624 CA TYR A 44 4.873 -11.095 2.029 1.00 0.00 C ATOM 625 C TYR A 44 5.741 -11.227 3.276 1.00 0.00 C ATOM 626 O TYR A 44 5.277 -11.013 4.397 1.00 0.00 O ATOM 627 CB TYR A 44 5.007 -9.687 1.447 1.00 0.00 C ATOM 628 CG TYR A 44 3.882 -9.309 0.509 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.772 -9.896 -0.746 1.00 0.00 C ATOM 630 CD2 TYR A 44 2.931 -8.366 0.877 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.747 -9.554 -1.607 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.902 -8.019 0.023 1.00 0.00 C ATOM 633 CZ TYR A 44 1.815 -8.615 -1.217 1.00 0.00 C ATOM 634 OH TYR A 44 0.792 -8.271 -2.071 1.00 0.00 O ATOM 0 H TYR A 44 2.935 -10.578 2.639 1.00 0.00 H new ATOM 0 HA TYR A 44 5.217 -11.820 1.292 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.044 -8.967 2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.954 -9.612 0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.500 -10.632 -1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.997 -7.896 1.847 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.676 -10.019 -2.579 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.170 -7.285 0.325 1.00 0.00 H new ATOM 0 HH TYR A 44 0.875 -8.781 -2.904 1.00 0.00 H new ATOM 644 N THR A 45 7.006 -11.581 3.074 1.00 0.00 N ATOM 645 CA THR A 45 7.941 -11.743 4.180 1.00 0.00 C ATOM 646 C THR A 45 9.029 -10.677 4.141 1.00 0.00 C ATOM 647 O THR A 45 9.978 -10.772 3.362 1.00 0.00 O ATOM 648 CB THR A 45 8.601 -13.135 4.160 1.00 0.00 C ATOM 649 OG1 THR A 45 7.596 -14.154 4.217 1.00 0.00 O ATOM 650 CG2 THR A 45 9.561 -13.296 5.329 1.00 0.00 C ATOM 0 H THR A 45 7.407 -11.761 2.154 1.00 0.00 H new ATOM 0 HA THR A 45 7.364 -11.636 5.099 1.00 0.00 H new ATOM 0 HB THR A 45 9.165 -13.232 3.232 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.023 -15.036 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.015 -14.287 5.294 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.341 -12.537 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.016 -13.180 6.266 1.00 0.00 H new ATOM 658 N CYS A 46 8.887 -9.661 4.986 1.00 0.00 N ATOM 659 CA CYS A 46 9.858 -8.576 5.049 1.00 0.00 C ATOM 660 C CYS A 46 11.251 -9.110 5.370 1.00 0.00 C ATOM 661 O CYS A 46 11.526 -9.518 6.498 1.00 0.00 O ATOM 662 CB CYS A 46 9.439 -7.548 6.102 1.00 0.00 C ATOM 663 SG CYS A 46 10.650 -6.211 6.359 1.00 0.00 S ATOM 0 H CYS A 46 8.108 -9.567 5.637 1.00 0.00 H new ATOM 0 HA CYS A 46 9.889 -8.093 4.072 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.486 -7.109 5.807 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.274 -8.061 7.049 1.00 0.00 H new ATOM 668 N ARG A 47 12.127 -9.104 4.370 1.00 0.00 N ATOM 669 CA ARG A 47 13.490 -9.588 4.545 1.00 0.00 C ATOM 670 C ARG A 47 14.239 -8.745 5.573 1.00 0.00 C ATOM 671 O ARG A 47 15.357 -9.077 5.967 1.00 0.00 O ATOM 672 CB ARG A 47 14.237 -9.567 3.211 1.00 0.00 C ATOM 673 CG ARG A 47 15.466 -10.462 3.185 1.00 0.00 C ATOM 674 CD ARG A 47 15.122 -11.866 2.713 1.00 0.00 C ATOM 675 NE ARG A 47 16.290 -12.567 2.185 1.00 0.00 N ATOM 676 CZ ARG A 47 16.214 -13.588 1.339 1.00 0.00 C ATOM 677 NH1 ARG A 47 15.032 -14.025 0.926 1.00 0.00 N ATOM 678 NH2 ARG A 47 17.321 -14.174 0.903 1.00 0.00 N ATOM 0 H ARG A 47 11.916 -8.769 3.430 1.00 0.00 H new ATOM 0 HA ARG A 47 13.440 -10.614 4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.556 -9.877 2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.539 -8.543 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.219 -10.029 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.904 -10.509 4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.702 -12.435 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.353 -11.811 1.943 1.00 0.00 H new ATOM 0 HE ARG A 47 17.215 -12.255 2.482 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.178 -13.577 1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.977 -14.809 0.276 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.232 -13.841 1.217 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.261 -14.958 0.253 1.00 0.00 H new ATOM 692 N ALA A 48 13.615 -7.653 6.002 1.00 0.00 N ATOM 693 CA ALA A 48 14.221 -6.763 6.985 1.00 0.00 C ATOM 694 C ALA A 48 13.593 -6.955 8.361 1.00 0.00 C ATOM 695 O ALA A 48 12.793 -7.867 8.567 1.00 0.00 O ATOM 696 CB ALA A 48 14.087 -5.315 6.539 1.00 0.00 C ATOM 0 H ALA A 48 12.690 -7.363 5.684 1.00 0.00 H new ATOM 0 HA ALA A 48 15.279 -7.012 7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.544 -4.662 7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.589 -5.181 5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.032 -5.063 6.434 1.00 0.00 H new ATOM 702 N ASN A 49 13.961 -6.090 9.301 1.00 0.00 N ATOM 703 CA ASN A 49 13.434 -6.166 10.658 1.00 0.00 C ATOM 704 C ASN A 49 12.054 -5.521 10.743 1.00 0.00 C ATOM 705 O ASN A 49 11.678 -4.967 11.776 1.00 0.00 O ATOM 706 CB ASN A 49 14.389 -5.482 11.638 1.00 0.00 C ATOM 707 CG ASN A 49 15.620 -6.320 11.925 1.00 0.00 C ATOM 708 OD1 ASN A 49 15.726 -6.946 12.979 1.00 0.00 O ATOM 709 ND2 ASN A 49 16.559 -6.334 10.985 1.00 0.00 N ATOM 0 H ASN A 49 14.622 -5.329 9.147 1.00 0.00 H new ATOM 0 HA ASN A 49 13.341 -7.219 10.926 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.695 -4.519 11.230 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.864 -5.280 12.572 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.410 -6.879 11.122 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.429 -5.800 10.126 1.00 0.00 H new ATOM 716 N ARG A 50 11.303 -5.598 9.649 1.00 0.00 N ATOM 717 CA ARG A 50 9.964 -5.022 9.599 1.00 0.00 C ATOM 718 C ARG A 50 9.977 -3.575 10.082 1.00 0.00 C ATOM 719 O ARG A 50 9.055 -3.129 10.764 1.00 0.00 O ATOM 720 CB ARG A 50 8.998 -5.847 10.451 1.00 0.00 C ATOM 721 CG ARG A 50 8.902 -7.303 10.026 1.00 0.00 C ATOM 722 CD ARG A 50 8.125 -8.129 11.039 1.00 0.00 C ATOM 723 NE ARG A 50 7.722 -9.423 10.496 1.00 0.00 N ATOM 724 CZ ARG A 50 7.368 -10.458 11.250 1.00 0.00 C ATOM 725 NH1 ARG A 50 7.368 -10.351 12.571 1.00 0.00 N ATOM 726 NH2 ARG A 50 7.013 -11.604 10.681 1.00 0.00 N ATOM 0 H ARG A 50 11.599 -6.053 8.786 1.00 0.00 H new ATOM 0 HA ARG A 50 9.627 -5.038 8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.316 -5.802 11.493 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.007 -5.396 10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.416 -7.368 9.053 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.904 -7.716 9.910 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.738 -8.284 11.927 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.240 -7.577 11.355 1.00 0.00 H new ATOM 0 HE ARG A 50 7.712 -9.539 9.483 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.640 -9.472 13.011 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.096 -11.147 13.147 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.012 -11.690 9.665 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.741 -12.398 11.260 1.00 0.00 H new ATOM 740 N ASN A 51 11.030 -2.846 9.725 1.00 0.00 N ATOM 741 CA ASN A 51 11.164 -1.449 10.123 1.00 0.00 C ATOM 742 C ASN A 51 11.380 -0.555 8.906 1.00 0.00 C ATOM 743 O ASN A 51 11.862 0.571 9.027 1.00 0.00 O ATOM 744 CB ASN A 51 12.327 -1.286 11.103 1.00 0.00 C ATOM 745 CG ASN A 51 13.661 -1.140 10.398 1.00 0.00 C ATOM 746 OD1 ASN A 51 14.279 -0.076 10.427 1.00 0.00 O ATOM 747 ND2 ASN A 51 14.113 -2.213 9.759 1.00 0.00 N ATOM 0 H ASN A 51 11.803 -3.200 9.161 1.00 0.00 H new ATOM 0 HA ASN A 51 10.239 -1.146 10.614 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.152 -0.410 11.728 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.363 -2.150 11.767 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.005 -2.175 9.266 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.568 -3.075 9.761 1.00 0.00 H new ATOM 754 N CYS A 52 11.021 -1.065 7.732 1.00 0.00 N ATOM 755 CA CYS A 52 11.175 -0.314 6.492 1.00 0.00 C ATOM 756 C CYS A 52 10.281 0.923 6.491 1.00 0.00 C ATOM 757 O CYS A 52 9.086 0.856 6.782 1.00 0.00 O ATOM 758 CB CYS A 52 10.842 -1.200 5.290 1.00 0.00 C ATOM 759 SG CYS A 52 11.516 -2.889 5.402 1.00 0.00 S ATOM 0 H CYS A 52 10.621 -1.996 7.614 1.00 0.00 H new ATOM 0 HA CYS A 52 12.213 0.010 6.419 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.759 -1.259 5.185 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.225 -0.727 4.386 1.00 0.00 H new ATOM 764 N PRO A 53 10.871 2.079 6.154 1.00 0.00 N ATOM 765 CA PRO A 53 10.147 3.353 6.105 1.00 0.00 C ATOM 766 C PRO A 53 9.153 3.410 4.950 1.00 0.00 C ATOM 767 O PRO A 53 9.536 3.633 3.800 1.00 0.00 O ATOM 768 CB PRO A 53 11.259 4.386 5.906 1.00 0.00 C ATOM 769 CG PRO A 53 12.363 3.632 5.249 1.00 0.00 C ATOM 770 CD PRO A 53 12.291 2.232 5.795 1.00 0.00 C ATOM 0 HA PRO A 53 9.550 3.518 7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.922 5.216 5.285 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.580 4.810 6.857 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.246 3.635 4.165 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.330 4.087 5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.600 1.495 5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.941 2.104 6.661 1.00 0.00 H new ATOM 778 N ILE A 54 7.877 3.209 5.262 1.00 0.00 N ATOM 779 CA ILE A 54 6.829 3.240 4.249 1.00 0.00 C ATOM 780 C ILE A 54 6.320 4.661 4.029 1.00 0.00 C ATOM 781 O ILE A 54 5.291 5.054 4.580 1.00 0.00 O ATOM 782 CB ILE A 54 5.645 2.336 4.637 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.125 0.902 4.870 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.574 2.373 3.557 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.757 0.271 3.649 1.00 0.00 C ATOM 0 H ILE A 54 7.544 3.023 6.208 1.00 0.00 H new ATOM 0 HA ILE A 54 7.271 2.868 3.325 1.00 0.00 H new ATOM 0 HB ILE A 54 5.211 2.709 5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.847 0.897 5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.280 0.292 5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.744 1.729 3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.215 3.395 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.995 2.022 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.074 -0.744 3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.031 0.244 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.622 0.859 3.343 1.00 0.00 H new ATOM 797 N ASP A 55 7.045 5.425 3.220 1.00 0.00 N ATOM 798 CA ASP A 55 6.664 6.801 2.924 1.00 0.00 C ATOM 799 C ASP A 55 6.130 6.923 1.500 1.00 0.00 C ATOM 800 O ASP A 55 6.033 5.932 0.777 1.00 0.00 O ATOM 801 CB ASP A 55 7.860 7.736 3.115 1.00 0.00 C ATOM 802 CG ASP A 55 8.004 8.205 4.550 1.00 0.00 C ATOM 803 OD1 ASP A 55 7.151 8.996 5.003 1.00 0.00 O ATOM 804 OD2 ASP A 55 8.970 7.782 5.219 1.00 0.00 O ATOM 0 H ASP A 55 7.900 5.115 2.757 1.00 0.00 H new ATOM 0 HA ASP A 55 5.872 7.090 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.772 7.222 2.810 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.749 8.602 2.462 1.00 0.00 H new ATOM 809 N GLN A 56 5.785 8.145 1.106 1.00 0.00 N ATOM 810 CA GLN A 56 5.260 8.395 -0.231 1.00 0.00 C ATOM 811 C GLN A 56 6.379 8.776 -1.194 1.00 0.00 C ATOM 812 O GLN A 56 6.406 8.327 -2.340 1.00 0.00 O ATOM 813 CB GLN A 56 4.207 9.505 -0.189 1.00 0.00 C ATOM 814 CG GLN A 56 3.912 10.116 -1.549 1.00 0.00 C ATOM 815 CD GLN A 56 3.747 9.070 -2.635 1.00 0.00 C ATOM 816 OE1 GLN A 56 3.051 7.987 -2.313 1.00 0.00 O flip ATOM 817 NE2 GLN A 56 4.240 9.235 -3.751 1.00 0.00 N flip ATOM 0 H GLN A 56 5.860 8.976 1.693 1.00 0.00 H new ATOM 0 HA GLN A 56 4.796 7.476 -0.589 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.283 9.103 0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.546 10.290 0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.003 10.714 -1.485 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.721 10.793 -1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.768 10.084 -3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.121 8.523 -4.472 1.00 0.00 H new ATOM 826 N HIS A 57 7.302 9.608 -0.721 1.00 0.00 N ATOM 827 CA HIS A 57 8.425 10.050 -1.541 1.00 0.00 C ATOM 828 C HIS A 57 9.505 8.975 -1.607 1.00 0.00 C ATOM 829 O HIS A 57 10.685 9.252 -1.390 1.00 0.00 O ATOM 830 CB HIS A 57 9.013 11.346 -0.981 1.00 0.00 C ATOM 831 CG HIS A 57 9.315 11.283 0.484 1.00 0.00 C ATOM 832 ND1 HIS A 57 9.521 10.224 1.301 1.00 0.00 N flip ATOM 833 CD2 HIS A 57 9.436 12.405 1.277 1.00 0.00 C flip ATOM 834 CE1 HIS A 57 9.760 10.720 2.559 1.00 0.00 C flip ATOM 835 NE2 HIS A 57 9.704 12.039 2.517 1.00 0.00 N flip ATOM 0 H HIS A 57 7.294 9.989 0.225 1.00 0.00 H new ATOM 0 HA HIS A 57 8.057 10.233 -2.550 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.929 11.583 -1.522 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.314 12.162 -1.165 1.00 0.00 H new ATOM 0 HD2 HIS A 57 9.328 13.424 0.937 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.961 10.128 3.440 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.844 12.668 3.308 1.00 0.00 H new ATOM 843 N HIS A 58 9.094 7.747 -1.908 1.00 0.00 N ATOM 844 CA HIS A 58 10.026 6.630 -2.003 1.00 0.00 C ATOM 845 C HIS A 58 9.499 5.561 -2.955 1.00 0.00 C ATOM 846 O HIS A 58 8.393 5.050 -2.778 1.00 0.00 O ATOM 847 CB HIS A 58 10.270 6.023 -0.621 1.00 0.00 C ATOM 848 CG HIS A 58 11.417 6.646 0.113 1.00 0.00 C ATOM 849 ND1 HIS A 58 12.663 6.827 -0.450 1.00 0.00 N ATOM 850 CD2 HIS A 58 11.501 7.134 1.373 1.00 0.00 C ATOM 851 CE1 HIS A 58 13.464 7.397 0.432 1.00 0.00 C ATOM 852 NE2 HIS A 58 12.783 7.595 1.546 1.00 0.00 N ATOM 0 H HIS A 58 8.121 7.501 -2.090 1.00 0.00 H new ATOM 0 HA HIS A 58 10.969 7.009 -2.397 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.366 6.129 -0.022 1.00 0.00 H new ATOM 0 HB3 HIS A 58 10.457 4.955 -0.730 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.708 7.157 2.106 1.00 0.00 H new ATOM 0 HE1 HIS A 58 14.500 7.657 0.270 1.00 0.00 H new ATOM 0 HE2 HIS A 58 13.150 8.021 2.397 1.00 0.00 H new ATOM 860 N ARG A 59 10.297 5.230 -3.965 1.00 0.00 N ATOM 861 CA ARG A 59 9.909 4.223 -4.947 1.00 0.00 C ATOM 862 C ARG A 59 9.375 2.970 -4.258 1.00 0.00 C ATOM 863 O ARG A 59 9.375 2.876 -3.032 1.00 0.00 O ATOM 864 CB ARG A 59 11.100 3.861 -5.835 1.00 0.00 C ATOM 865 CG ARG A 59 12.162 3.038 -5.125 1.00 0.00 C ATOM 866 CD ARG A 59 12.954 2.185 -6.104 1.00 0.00 C ATOM 867 NE ARG A 59 13.691 3.000 -7.067 1.00 0.00 N ATOM 868 CZ ARG A 59 14.888 3.521 -6.825 1.00 0.00 C ATOM 869 NH1 ARG A 59 15.481 3.312 -5.657 1.00 0.00 N ATOM 870 NH2 ARG A 59 15.496 4.251 -7.751 1.00 0.00 N ATOM 0 H ARG A 59 11.215 5.644 -4.125 1.00 0.00 H new ATOM 0 HA ARG A 59 9.116 4.642 -5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.741 3.305 -6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.554 4.778 -6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.840 3.702 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.689 2.396 -4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.652 1.554 -5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.275 1.519 -6.637 1.00 0.00 H new ATOM 0 HE ARG A 59 13.262 3.179 -7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.017 2.750 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.401 3.713 -5.473 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.044 4.413 -8.651 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.416 4.650 -7.563 1.00 0.00 H new ATOM 884 N ASN A 60 8.920 2.011 -5.058 1.00 0.00 N ATOM 885 CA ASN A 60 8.382 0.764 -4.526 1.00 0.00 C ATOM 886 C ASN A 60 9.105 0.363 -3.244 1.00 0.00 C ATOM 887 O ASN A 60 10.238 -0.115 -3.283 1.00 0.00 O ATOM 888 CB ASN A 60 8.504 -0.353 -5.565 1.00 0.00 C ATOM 889 CG ASN A 60 7.908 0.036 -6.904 1.00 0.00 C ATOM 890 OD1 ASN A 60 7.474 1.171 -7.097 1.00 0.00 O ATOM 891 ND2 ASN A 60 7.885 -0.909 -7.837 1.00 0.00 N ATOM 0 H ASN A 60 8.913 2.073 -6.076 1.00 0.00 H new ATOM 0 HA ASN A 60 7.329 0.921 -4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.555 -0.608 -5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.004 -1.247 -5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.496 -0.707 -8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.256 -1.837 -7.632 1.00 0.00 H new ATOM 898 N GLN A 61 8.441 0.560 -2.110 1.00 0.00 N ATOM 899 CA GLN A 61 9.020 0.219 -0.816 1.00 0.00 C ATOM 900 C GLN A 61 8.623 -1.193 -0.397 1.00 0.00 C ATOM 901 O GLN A 61 7.884 -1.877 -1.105 1.00 0.00 O ATOM 902 CB GLN A 61 8.574 1.224 0.248 1.00 0.00 C ATOM 903 CG GLN A 61 8.847 2.671 -0.130 1.00 0.00 C ATOM 904 CD GLN A 61 8.321 3.652 0.899 1.00 0.00 C ATOM 905 OE1 GLN A 61 9.092 4.354 1.555 1.00 0.00 O ATOM 906 NE2 GLN A 61 7.003 3.707 1.045 1.00 0.00 N ATOM 0 H GLN A 61 7.501 0.954 -2.061 1.00 0.00 H new ATOM 0 HA GLN A 61 10.105 0.259 -0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.506 1.100 0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.084 0.999 1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.921 2.815 -0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.389 2.883 -1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.402 3.107 0.480 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.591 4.349 1.722 1.00 0.00 H new ATOM 915 N CYS A 62 9.118 -1.623 0.759 1.00 0.00 N ATOM 916 CA CYS A 62 8.816 -2.953 1.273 1.00 0.00 C ATOM 917 C CYS A 62 7.371 -3.339 0.968 1.00 0.00 C ATOM 918 O CYS A 62 6.517 -2.475 0.770 1.00 0.00 O ATOM 919 CB CYS A 62 9.062 -3.008 2.782 1.00 0.00 C ATOM 920 SG CYS A 62 8.856 -4.665 3.510 1.00 0.00 S ATOM 0 H CYS A 62 9.730 -1.069 1.358 1.00 0.00 H new ATOM 0 HA CYS A 62 9.476 -3.665 0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.073 -2.656 2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.378 -2.318 3.276 1.00 0.00 H new ATOM 925 N GLN A 63 7.107 -4.641 0.933 1.00 0.00 N ATOM 926 CA GLN A 63 5.766 -5.141 0.652 1.00 0.00 C ATOM 927 C GLN A 63 5.044 -5.517 1.942 1.00 0.00 C ATOM 928 O GLN A 63 3.949 -5.027 2.217 1.00 0.00 O ATOM 929 CB GLN A 63 5.836 -6.352 -0.280 1.00 0.00 C ATOM 930 CG GLN A 63 6.017 -5.984 -1.743 1.00 0.00 C ATOM 931 CD GLN A 63 6.603 -7.118 -2.561 1.00 0.00 C ATOM 932 OE1 GLN A 63 7.581 -7.749 -2.159 1.00 0.00 O ATOM 933 NE2 GLN A 63 6.007 -7.383 -3.718 1.00 0.00 N ATOM 0 H GLN A 63 7.803 -5.368 1.096 1.00 0.00 H new ATOM 0 HA GLN A 63 5.204 -4.346 0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.663 -6.991 0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.923 -6.937 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.053 -5.698 -2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.668 -5.113 -1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.199 -6.835 -4.013 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.357 -8.135 -4.312 1.00 0.00 H new ATOM 942 N TYR A 64 5.665 -6.389 2.728 1.00 0.00 N ATOM 943 CA TYR A 64 5.080 -6.833 3.988 1.00 0.00 C ATOM 944 C TYR A 64 4.787 -5.647 4.901 1.00 0.00 C ATOM 945 O TYR A 64 3.699 -5.536 5.466 1.00 0.00 O ATOM 946 CB TYR A 64 6.019 -7.814 4.693 1.00 0.00 C ATOM 947 CG TYR A 64 5.800 -7.895 6.186 1.00 0.00 C ATOM 948 CD1 TYR A 64 6.354 -6.951 7.042 1.00 0.00 C ATOM 949 CD2 TYR A 64 5.037 -8.915 6.742 1.00 0.00 C ATOM 950 CE1 TYR A 64 6.157 -7.021 8.407 1.00 0.00 C ATOM 951 CE2 TYR A 64 4.834 -8.992 8.107 1.00 0.00 C ATOM 952 CZ TYR A 64 5.396 -8.044 8.935 1.00 0.00 C ATOM 953 OH TYR A 64 5.197 -8.116 10.294 1.00 0.00 O ATOM 0 H TYR A 64 6.573 -6.802 2.515 1.00 0.00 H new ATOM 0 HA TYR A 64 4.140 -7.337 3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.886 -8.806 4.260 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.050 -7.518 4.501 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.949 -6.148 6.632 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.595 -9.660 6.097 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.596 -6.279 9.058 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.238 -9.791 8.523 1.00 0.00 H new ATOM 0 HH TYR A 64 4.638 -8.894 10.502 1.00 0.00 H new ATOM 963 N CYS A 65 5.767 -4.760 5.040 1.00 0.00 N ATOM 964 CA CYS A 65 5.618 -3.580 5.884 1.00 0.00 C ATOM 965 C CYS A 65 4.470 -2.703 5.393 1.00 0.00 C ATOM 966 O CYS A 65 3.568 -2.358 6.157 1.00 0.00 O ATOM 967 CB CYS A 65 6.918 -2.774 5.905 1.00 0.00 C ATOM 968 SG CYS A 65 8.211 -3.477 6.978 1.00 0.00 S ATOM 0 H CYS A 65 6.673 -4.836 4.579 1.00 0.00 H new ATOM 0 HA CYS A 65 5.390 -3.914 6.896 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.304 -2.701 4.888 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.698 -1.759 6.236 1.00 0.00 H new ATOM 973 N ARG A 66 4.511 -2.345 4.114 1.00 0.00 N ATOM 974 CA ARG A 66 3.476 -1.507 3.521 1.00 0.00 C ATOM 975 C ARG A 66 2.100 -2.147 3.681 1.00 0.00 C ATOM 976 O ARG A 66 1.145 -1.494 4.101 1.00 0.00 O ATOM 977 CB ARG A 66 3.770 -1.269 2.038 1.00 0.00 C ATOM 978 CG ARG A 66 2.652 -0.547 1.304 1.00 0.00 C ATOM 979 CD ARG A 66 3.028 -0.261 -0.141 1.00 0.00 C ATOM 980 NE ARG A 66 2.165 0.753 -0.741 1.00 0.00 N ATOM 981 CZ ARG A 66 2.413 1.330 -1.912 1.00 0.00 C ATOM 982 NH1 ARG A 66 3.493 0.995 -2.604 1.00 0.00 N ATOM 983 NH2 ARG A 66 1.580 2.244 -2.392 1.00 0.00 N ATOM 0 H ARG A 66 5.250 -2.622 3.468 1.00 0.00 H new ATOM 0 HA ARG A 66 3.476 -0.550 4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.688 -0.688 1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.951 -2.229 1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.746 -1.153 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.426 0.389 1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.065 0.072 -0.187 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.963 -1.181 -0.721 1.00 0.00 H new ATOM 0 HE ARG A 66 1.326 1.034 -0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.136 0.293 -2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.681 1.439 -3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.748 2.504 -1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.771 2.686 -3.291 1.00 0.00 H new ATOM 997 N LEU A 67 2.007 -3.429 3.344 1.00 0.00 N ATOM 998 CA LEU A 67 0.748 -4.158 3.450 1.00 0.00 C ATOM 999 C LEU A 67 0.267 -4.207 4.896 1.00 0.00 C ATOM 1000 O LEU A 67 -0.890 -3.904 5.188 1.00 0.00 O ATOM 1001 CB LEU A 67 0.912 -5.579 2.907 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.199 -6.567 3.266 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.051 -7.176 4.636 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.557 -5.881 3.225 1.00 0.00 C ATOM 0 H LEU A 67 2.788 -3.985 2.995 1.00 0.00 H new ATOM 0 HA LEU A 67 0.001 -3.632 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.986 -5.525 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.858 -5.979 3.272 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.197 -7.370 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.750 -7.876 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.005 -7.703 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.077 -6.386 5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.335 -6.599 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.571 -5.058 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.739 -5.494 2.223 1.00 0.00 H new ATOM 1016 N LYS A 68 1.164 -4.588 5.800 1.00 0.00 N ATOM 1017 CA LYS A 68 0.834 -4.673 7.218 1.00 0.00 C ATOM 1018 C LYS A 68 0.361 -3.324 7.748 1.00 0.00 C ATOM 1019 O LYS A 68 -0.701 -3.223 8.362 1.00 0.00 O ATOM 1020 CB LYS A 68 2.048 -5.151 8.017 1.00 0.00 C ATOM 1021 CG LYS A 68 2.317 -6.640 7.883 1.00 0.00 C ATOM 1022 CD LYS A 68 1.254 -7.465 8.589 1.00 0.00 C ATOM 1023 CE LYS A 68 1.421 -8.950 8.305 1.00 0.00 C ATOM 1024 NZ LYS A 68 1.511 -9.229 6.845 1.00 0.00 N ATOM 0 H LYS A 68 2.126 -4.843 5.575 1.00 0.00 H new ATOM 0 HA LYS A 68 0.024 -5.393 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.929 -4.600 7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.897 -4.911 9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.348 -6.911 6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.296 -6.873 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.310 -7.290 9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.265 -7.140 8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.320 -9.316 8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.579 -9.498 8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.454 -10.255 6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.727 -8.756 6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.416 -8.871 6.478 1.00 0.00 H new ATOM 1038 N LYS A 69 1.157 -2.287 7.507 1.00 0.00 N ATOM 1039 CA LYS A 69 0.820 -0.942 7.958 1.00 0.00 C ATOM 1040 C LYS A 69 -0.679 -0.685 7.832 1.00 0.00 C ATOM 1041 O LYS A 69 -1.248 0.105 8.585 1.00 0.00 O ATOM 1042 CB LYS A 69 1.596 0.099 7.149 1.00 0.00 C ATOM 1043 CG LYS A 69 1.233 1.533 7.495 1.00 0.00 C ATOM 1044 CD LYS A 69 2.431 2.459 7.362 1.00 0.00 C ATOM 1045 CE LYS A 69 3.314 2.410 8.599 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.700 2.870 8.310 1.00 0.00 N ATOM 0 H LYS A 69 2.040 -2.353 7.002 1.00 0.00 H new ATOM 0 HA LYS A 69 1.098 -0.858 9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.663 -0.047 7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.412 -0.067 6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.433 1.875 6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.850 1.576 8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.015 2.177 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.086 3.480 7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.880 3.034 9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.343 1.391 8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.237 2.935 9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.165 2.192 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.668 3.805 7.856 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.311 -1.358 6.877 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.744 -1.203 6.652 1.00 0.00 C ATOM 1062 C CYS A 70 -3.540 -1.709 7.851 1.00 0.00 C ATOM 1063 O CYS A 70 -4.399 -1.005 8.382 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.168 -1.955 5.390 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.292 -1.438 3.894 1.00 0.00 S ATOM 0 H CYS A 70 -0.854 -2.016 6.246 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.953 -0.141 6.521 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -3.005 -3.022 5.543 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.238 -1.815 5.238 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.844 -0.362 3.418 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.249 -2.935 8.273 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.938 -3.537 9.408 1.00 0.00 C ATOM 1073 C LEU A 71 -3.551 -2.844 10.711 1.00 0.00 C ATOM 1074 O LEU A 71 -4.210 -3.012 11.737 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.613 -5.029 9.495 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.775 -5.828 8.202 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -3.111 -7.191 8.329 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.248 -5.981 7.851 1.00 0.00 C ATOM 0 H LEU A 71 -2.540 -3.531 7.846 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.010 -3.413 9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.584 -5.137 9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.252 -5.476 10.257 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.284 -5.282 7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.237 -7.745 7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.048 -7.060 8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.572 -7.745 9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.345 -6.552 6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.762 -6.505 8.657 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.694 -4.996 7.716 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.478 -2.062 10.662 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.004 -1.339 11.836 1.00 0.00 C ATOM 1092 C LYS A 72 -2.711 0.006 11.969 1.00 0.00 C ATOM 1093 O LYS A 72 -3.351 0.284 12.983 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.490 -1.125 11.752 1.00 0.00 C ATOM 1095 CG LYS A 72 0.106 -0.502 13.001 1.00 0.00 C ATOM 1096 CD LYS A 72 0.108 1.016 12.921 1.00 0.00 C ATOM 1097 CE LYS A 72 0.607 1.642 14.214 1.00 0.00 C ATOM 1098 NZ LYS A 72 0.623 3.129 14.140 1.00 0.00 N ATOM 0 H LYS A 72 -1.920 -1.913 9.821 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.232 -1.938 12.717 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.006 -2.084 11.568 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.269 -0.487 10.897 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.463 -0.820 13.874 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.126 -0.861 13.137 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.740 1.337 12.093 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.900 1.371 12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.030 1.326 15.040 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.612 1.278 14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.969 3.518 15.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.251 3.431 13.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.340 3.478 13.960 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.592 0.837 10.938 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.222 2.152 10.940 1.00 0.00 C ATOM 1114 C VAL A 73 -4.710 2.048 11.252 1.00 0.00 C ATOM 1115 O VAL A 73 -5.260 2.868 11.985 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.041 2.862 9.585 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.571 3.153 9.326 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.633 2.025 8.462 1.00 0.00 C ATOM 0 H VAL A 73 -2.065 0.623 10.091 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.731 2.737 11.718 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.574 3.812 9.619 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.463 3.655 8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.183 3.796 10.116 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.012 2.217 9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.496 2.542 7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.131 1.058 8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.697 1.874 8.643 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.358 1.031 10.691 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.777 0.837 10.921 1.00 0.00 C ATOM 1130 C GLY A 74 -7.444 0.052 9.809 1.00 0.00 C ATOM 1131 O GLY A 74 -8.382 -0.706 10.052 1.00 0.00 O ATOM 0 H GLY A 74 -4.925 0.338 10.081 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.920 0.314 11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.262 1.808 11.017 1.00 0.00 H new ATOM 1135 N MET A 75 -6.959 0.235 8.585 1.00 0.00 N ATOM 1136 CA MET A 75 -7.515 -0.463 7.432 1.00 0.00 C ATOM 1137 C MET A 75 -7.974 -1.866 7.814 1.00 0.00 C ATOM 1138 O MET A 75 -7.196 -2.662 8.340 1.00 0.00 O ATOM 1139 CB MET A 75 -6.479 -0.541 6.308 1.00 0.00 C ATOM 1140 CG MET A 75 -5.864 0.803 5.954 1.00 0.00 C ATOM 1141 SD MET A 75 -4.740 0.703 4.548 1.00 0.00 S ATOM 1142 CE MET A 75 -5.872 0.234 3.242 1.00 0.00 C ATOM 0 H MET A 75 -6.183 0.860 8.366 1.00 0.00 H new ATOM 0 HA MET A 75 -8.380 0.100 7.081 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.686 -1.228 6.603 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.950 -0.961 5.419 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.659 1.514 5.729 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.325 1.191 6.818 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.311 0.029 2.330 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.420 -0.660 3.539 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.575 1.047 3.060 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.242 -2.162 7.547 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.805 -3.468 7.865 1.00 0.00 C ATOM 1154 C ARG A 76 -9.928 -4.327 6.610 1.00 0.00 C ATOM 1155 O ARG A 76 -10.234 -3.824 5.529 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.176 -3.310 8.525 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.235 -2.734 7.598 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.321 -2.009 8.377 1.00 0.00 C ATOM 1159 NE ARG A 76 -12.840 -0.754 8.949 1.00 0.00 N ATOM 1160 CZ ARG A 76 -13.424 -0.141 9.971 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -14.506 -0.663 10.532 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -12.927 0.998 10.436 1.00 0.00 N ATOM 0 H ARG A 76 -9.899 -1.515 7.111 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.130 -3.967 8.561 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.511 -4.283 8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.078 -2.663 9.397 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.768 -2.045 6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.681 -3.536 7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.166 -1.807 7.719 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.687 -2.655 9.176 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.010 -0.325 8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.892 -1.538 10.178 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.952 -0.189 11.317 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.095 1.404 10.008 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.377 1.468 11.222 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.688 -5.626 6.762 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.771 -6.554 5.641 1.00 0.00 C ATOM 1178 C ARG A 77 -11.225 -6.833 5.272 1.00 0.00 C ATOM 1179 O ARG A 77 -11.591 -6.813 4.097 1.00 0.00 O ATOM 1180 CB ARG A 77 -9.060 -7.865 5.983 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.584 -7.692 6.304 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.932 -9.019 6.657 1.00 0.00 C ATOM 1183 NE ARG A 77 -5.512 -9.038 6.317 1.00 0.00 N ATOM 1184 CZ ARG A 77 -4.690 -10.028 6.647 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -5.145 -11.074 7.322 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -3.410 -9.973 6.302 1.00 0.00 N ATOM 0 H ARG A 77 -9.435 -6.059 7.650 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.279 -6.094 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.557 -8.326 6.836 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.162 -8.554 5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.074 -7.251 5.448 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.470 -6.997 7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.052 -9.210 7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.442 -9.825 6.130 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.130 -8.248 5.798 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.128 -11.120 7.589 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.512 -11.833 7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.056 -9.170 5.783 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.780 -10.734 6.556 1.00 0.00 H new ATOM 1200 N GLU A 78 -12.047 -7.093 6.283 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.461 -7.377 6.064 1.00 0.00 C ATOM 1202 C GLU A 78 -14.017 -6.525 4.926 1.00 0.00 C ATOM 1203 O GLU A 78 -14.716 -7.025 4.046 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.259 -7.122 7.344 1.00 0.00 C ATOM 1205 CG GLU A 78 -14.163 -5.692 7.847 1.00 0.00 C ATOM 1206 CD GLU A 78 -14.694 -5.533 9.259 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -15.862 -5.906 9.499 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -13.942 -5.037 10.123 1.00 0.00 O ATOM 0 H GLU A 78 -11.759 -7.113 7.261 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.556 -8.427 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.306 -7.365 7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.905 -7.797 8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.122 -5.369 7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.720 -5.037 7.177 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.701 -5.234 4.953 1.00 0.00 N ATOM 1216 CA ALA A 79 -14.167 -4.312 3.924 1.00 0.00 C ATOM 1217 C ALA A 79 -13.735 -4.775 2.536 1.00 0.00 C ATOM 1218 O ALA A 79 -14.554 -4.878 1.623 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.649 -2.908 4.200 1.00 0.00 C ATOM 0 H ALA A 79 -13.125 -4.803 5.676 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.257 -4.297 3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.004 -2.230 3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.012 -2.571 5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.559 -2.916 4.203 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.444 -5.051 2.385 1.00 0.00 N ATOM 1226 CA VAL A 80 -11.904 -5.503 1.108 1.00 0.00 C ATOM 1227 C VAL A 80 -12.905 -6.384 0.369 1.00 0.00 C ATOM 1228 O VAL A 80 -13.019 -6.317 -0.855 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.591 -6.286 1.299 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.100 -6.838 -0.030 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.534 -5.402 1.942 1.00 0.00 C ATOM 0 H VAL A 80 -11.753 -4.970 3.131 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.703 -4.610 0.516 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.783 -7.127 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.172 -7.388 0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.853 -7.507 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.923 -6.015 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.613 -5.971 2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.343 -4.540 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.888 -5.061 2.915 1.00 0.00 H new ATOM 1241 N GLN A 81 -13.628 -7.208 1.120 1.00 0.00 N ATOM 1242 CA GLN A 81 -14.620 -8.102 0.535 1.00 0.00 C ATOM 1243 C GLN A 81 -16.024 -7.744 1.011 1.00 0.00 C ATOM 1244 O GLN A 81 -16.405 -8.052 2.140 1.00 0.00 O ATOM 1245 CB GLN A 81 -14.302 -9.555 0.894 1.00 0.00 C ATOM 1246 CG GLN A 81 -14.149 -9.793 2.388 1.00 0.00 C ATOM 1247 CD GLN A 81 -13.501 -11.127 2.703 1.00 0.00 C ATOM 1248 OE1 GLN A 81 -12.290 -11.207 2.913 1.00 0.00 O ATOM 1249 NE2 GLN A 81 -14.305 -12.183 2.737 1.00 0.00 N ATOM 0 H GLN A 81 -13.546 -7.275 2.134 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.583 -7.986 -0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.095 -10.197 0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.382 -9.852 0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.550 -8.991 2.820 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.130 -9.749 2.861 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.303 -12.070 2.557 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.925 -13.107 2.943 1.00 0.00 H new ATOM 1258 N ARG A 82 -16.789 -7.091 0.142 1.00 0.00 N ATOM 1259 CA ARG A 82 -18.150 -6.689 0.474 1.00 0.00 C ATOM 1260 C ARG A 82 -19.027 -7.909 0.743 1.00 0.00 C ATOM 1261 O ARG A 82 -18.729 -9.013 0.289 1.00 0.00 O ATOM 1262 CB ARG A 82 -18.750 -5.857 -0.660 1.00 0.00 C ATOM 1263 CG ARG A 82 -19.145 -6.679 -1.876 1.00 0.00 C ATOM 1264 CD ARG A 82 -17.974 -6.859 -2.830 1.00 0.00 C ATOM 1265 NE ARG A 82 -17.197 -8.056 -2.524 1.00 0.00 N ATOM 1266 CZ ARG A 82 -17.684 -9.290 -2.606 1.00 0.00 C ATOM 1267 NH1 ARG A 82 -18.939 -9.486 -2.985 1.00 0.00 N ATOM 1268 NH2 ARG A 82 -16.914 -10.329 -2.311 1.00 0.00 N ATOM 0 H ARG A 82 -16.489 -6.829 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 82 -18.112 -6.083 1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -19.628 -5.330 -0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -18.029 -5.098 -0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -19.507 -7.655 -1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -19.968 -6.189 -2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.346 -6.920 -3.853 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.327 -5.984 -2.778 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.227 -7.939 -2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.533 -8.689 -3.214 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.311 -10.434 -3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.947 -10.181 -2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.289 -11.276 -2.374 1.00 0.00 H new ATOM 1282 N GLY A 83 -20.110 -7.701 1.485 1.00 0.00 N ATOM 1283 CA GLY A 83 -21.013 -8.793 1.802 1.00 0.00 C ATOM 1284 C GLY A 83 -20.672 -9.464 3.117 1.00 0.00 C ATOM 1285 O GLY A 83 -20.038 -8.861 3.984 1.00 0.00 O ATOM 0 H GLY A 83 -20.379 -6.796 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -22.034 -8.415 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -20.980 -9.532 1.001 1.00 0.00 H new ATOM 1289 N SER A 84 -21.093 -10.716 3.268 1.00 0.00 N ATOM 1290 CA SER A 84 -20.833 -11.468 4.490 1.00 0.00 C ATOM 1291 C SER A 84 -19.343 -11.757 4.643 1.00 0.00 C ATOM 1292 O SER A 84 -18.689 -12.215 3.707 1.00 0.00 O ATOM 1293 CB SER A 84 -21.621 -12.779 4.484 1.00 0.00 C ATOM 1294 OG SER A 84 -21.915 -13.203 5.804 1.00 0.00 O ATOM 0 H SER A 84 -21.616 -11.231 2.559 1.00 0.00 H new ATOM 0 HA SER A 84 -21.156 -10.862 5.336 1.00 0.00 H new ATOM 0 HB2 SER A 84 -22.548 -12.647 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 84 -21.047 -13.550 3.970 1.00 0.00 H new ATOM 0 HG SER A 84 -22.421 -14.042 5.773 1.00 0.00 H new ATOM 1300 N GLY A 85 -18.812 -11.486 5.832 1.00 0.00 N ATOM 1301 CA GLY A 85 -17.403 -11.724 6.087 1.00 0.00 C ATOM 1302 C GLY A 85 -17.176 -12.708 7.216 1.00 0.00 C ATOM 1303 O GLY A 85 -17.186 -12.348 8.394 1.00 0.00 O ATOM 0 H GLY A 85 -19.332 -11.106 6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.932 -12.102 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.916 -10.779 6.329 1.00 0.00 H new ATOM 1307 N PRO A 86 -16.968 -13.985 6.861 1.00 0.00 N ATOM 1308 CA PRO A 86 -16.735 -15.051 7.840 1.00 0.00 C ATOM 1309 C PRO A 86 -15.381 -14.919 8.529 1.00 0.00 C ATOM 1310 O PRO A 86 -14.551 -14.100 8.136 1.00 0.00 O ATOM 1311 CB PRO A 86 -16.782 -16.326 6.993 1.00 0.00 C ATOM 1312 CG PRO A 86 -16.408 -15.883 5.621 1.00 0.00 C ATOM 1313 CD PRO A 86 -16.943 -14.485 5.476 1.00 0.00 C ATOM 0 HA PRO A 86 -17.468 -15.031 8.647 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -16.088 -17.077 7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -17.775 -16.774 7.007 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -15.327 -15.903 5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -16.835 -16.544 4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.303 -13.874 4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.937 -14.479 5.029 1.00 0.00 H new ATOM 1321 N SER A 87 -15.166 -15.731 9.559 1.00 0.00 N ATOM 1322 CA SER A 87 -13.913 -15.702 10.306 1.00 0.00 C ATOM 1323 C SER A 87 -13.287 -17.092 10.369 1.00 0.00 C ATOM 1324 O SER A 87 -13.929 -18.056 10.786 1.00 0.00 O ATOM 1325 CB SER A 87 -14.151 -15.172 11.721 1.00 0.00 C ATOM 1326 OG SER A 87 -15.034 -16.016 12.440 1.00 0.00 O ATOM 0 H SER A 87 -15.842 -16.417 9.895 1.00 0.00 H new ATOM 0 HA SER A 87 -13.224 -15.035 9.788 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.201 -15.099 12.250 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.566 -14.165 11.671 1.00 0.00 H new ATOM 0 HG SER A 87 -14.897 -16.946 12.162 1.00 0.00 H new ATOM 1332 N SER A 88 -12.028 -17.186 9.953 1.00 0.00 N ATOM 1333 CA SER A 88 -11.314 -18.458 9.958 1.00 0.00 C ATOM 1334 C SER A 88 -10.468 -18.601 11.219 1.00 0.00 C ATOM 1335 O SER A 88 -9.329 -19.062 11.167 1.00 0.00 O ATOM 1336 CB SER A 88 -10.425 -18.573 8.718 1.00 0.00 C ATOM 1337 OG SER A 88 -9.559 -17.458 8.607 1.00 0.00 O ATOM 0 H SER A 88 -11.481 -16.397 9.608 1.00 0.00 H new ATOM 0 HA SER A 88 -12.052 -19.260 9.943 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.838 -19.490 8.771 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.047 -18.645 7.826 1.00 0.00 H new ATOM 0 HG SER A 88 -9.000 -17.556 7.808 1.00 0.00 H new ATOM 1343 N GLY A 89 -11.036 -18.202 12.354 1.00 0.00 N ATOM 1344 CA GLY A 89 -10.321 -18.293 13.613 1.00 0.00 C ATOM 1345 C GLY A 89 -9.082 -17.420 13.641 1.00 0.00 C ATOM 1346 O GLY A 89 -8.016 -17.905 14.017 1.00 0.00 O ATOM 0 H GLY A 89 -11.978 -17.818 12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.985 -18.001 14.426 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.035 -19.330 13.791 1.00 0.00 H new TER 1350 GLY A 89 HETATM 1351 ZN ZN A 191 -0.561 5.476 0.118 1.00 0.00 ZN HETATM 1352 ZN ZN A 241 9.791 -4.304 5.675 1.00 0.00 ZN