USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 545 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 32 HIS HD1 : A 32 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00123 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 8 ASN : amide:sc= -0.688 K(o=-0.69,f=0.0057) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 55:sc= 0.0332 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.3) USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -0.0061 (180deg=-0.115) USER MOD Single : A 48 THR OG1 : rot 35:sc= 0.253 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -131:sc= 0 (180deg=-0.103) USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0228) USER MOD Single : A 54 SER OG : rot 156:sc= 0.119 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0607 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.299 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.636 X(o=-0.64,f=-0.46) USER MOD Single : A 69 GLN : amide:sc= -0.702 K(o=-0.7,f=-3!) USER MOD Single : A 71 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.5!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0671 X(o=-0.067,f=-0.27) USER MOD Single : A 76 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.061!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.771 -28.148 16.120 1.00 0.00 N ATOM 2 CA GLY A 1 20.049 -27.212 15.046 1.00 0.00 C ATOM 3 C GLY A 1 20.578 -25.886 15.555 1.00 0.00 C ATOM 4 O GLY A 1 20.070 -25.342 16.535 1.00 0.00 O ATOM 0 H1 GLY A 1 19.412 -29.038 15.720 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.645 -28.335 16.652 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.057 -27.742 16.758 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.776 -27.652 14.364 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.138 -27.040 14.473 1.00 0.00 H new ATOM 8 N SER A 2 21.604 -25.366 14.889 1.00 0.00 N ATOM 9 CA SER A 2 22.207 -24.098 15.283 1.00 0.00 C ATOM 10 C SER A 2 21.765 -22.973 14.352 1.00 0.00 C ATOM 11 O SER A 2 21.859 -23.091 13.130 1.00 0.00 O ATOM 12 CB SER A 2 23.733 -24.211 15.276 1.00 0.00 C ATOM 13 OG SER A 2 24.236 -24.233 13.951 1.00 0.00 O ATOM 0 H SER A 2 22.035 -25.803 14.074 1.00 0.00 H new ATOM 0 HA SER A 2 21.871 -23.863 16.293 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.166 -23.371 15.819 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.036 -25.118 15.799 1.00 0.00 H new ATOM 0 HG SER A 2 25.213 -24.304 13.973 1.00 0.00 H new ATOM 19 N SER A 3 21.281 -21.884 14.939 1.00 0.00 N ATOM 20 CA SER A 3 20.820 -20.738 14.163 1.00 0.00 C ATOM 21 C SER A 3 21.960 -20.141 13.345 1.00 0.00 C ATOM 22 O SER A 3 23.130 -20.448 13.573 1.00 0.00 O ATOM 23 CB SER A 3 20.229 -19.673 15.089 1.00 0.00 C ATOM 24 OG SER A 3 18.989 -20.096 15.628 1.00 0.00 O ATOM 0 H SER A 3 21.198 -21.770 15.949 1.00 0.00 H new ATOM 0 HA SER A 3 20.046 -21.083 13.477 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.928 -19.462 15.899 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.091 -18.743 14.537 1.00 0.00 H new ATOM 0 HG SER A 3 18.633 -19.398 16.217 1.00 0.00 H new ATOM 30 N GLY A 4 21.610 -19.286 12.389 1.00 0.00 N ATOM 31 CA GLY A 4 22.615 -18.659 11.550 1.00 0.00 C ATOM 32 C GLY A 4 22.877 -17.218 11.938 1.00 0.00 C ATOM 33 O GLY A 4 21.977 -16.520 12.406 1.00 0.00 O ATOM 0 H GLY A 4 20.649 -19.016 12.180 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.544 -19.225 11.617 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.292 -18.699 10.510 1.00 0.00 H new ATOM 37 N SER A 5 24.113 -16.770 11.745 1.00 0.00 N ATOM 38 CA SER A 5 24.493 -15.403 12.084 1.00 0.00 C ATOM 39 C SER A 5 24.777 -14.590 10.824 1.00 0.00 C ATOM 40 O SER A 5 25.692 -14.905 10.063 1.00 0.00 O ATOM 41 CB SER A 5 25.723 -15.403 12.993 1.00 0.00 C ATOM 42 OG SER A 5 26.234 -14.092 13.161 1.00 0.00 O ATOM 0 H SER A 5 24.869 -17.333 11.356 1.00 0.00 H new ATOM 0 HA SER A 5 23.660 -14.941 12.613 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.461 -15.822 13.965 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.494 -16.045 12.567 1.00 0.00 H new ATOM 0 HG SER A 5 27.019 -14.119 13.747 1.00 0.00 H new ATOM 48 N SER A 6 23.986 -13.544 10.612 1.00 0.00 N ATOM 49 CA SER A 6 24.149 -12.687 9.443 1.00 0.00 C ATOM 50 C SER A 6 23.309 -11.420 9.576 1.00 0.00 C ATOM 51 O SER A 6 22.168 -11.464 10.035 1.00 0.00 O ATOM 52 CB SER A 6 23.755 -13.442 8.172 1.00 0.00 C ATOM 53 OG SER A 6 24.320 -12.836 7.022 1.00 0.00 O ATOM 0 H SER A 6 23.226 -13.269 11.234 1.00 0.00 H new ATOM 0 HA SER A 6 25.199 -12.401 9.377 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.089 -14.477 8.242 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.669 -13.463 8.080 1.00 0.00 H new ATOM 0 HG SER A 6 24.055 -13.338 6.224 1.00 0.00 H new ATOM 59 N GLY A 7 23.883 -10.292 9.171 1.00 0.00 N ATOM 60 CA GLY A 7 23.175 -9.028 9.254 1.00 0.00 C ATOM 61 C GLY A 7 23.390 -8.161 8.029 1.00 0.00 C ATOM 62 O GLY A 7 24.366 -7.415 7.952 1.00 0.00 O ATOM 0 H GLY A 7 24.826 -10.231 8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.109 -9.220 9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.506 -8.487 10.141 1.00 0.00 H new ATOM 66 N ASN A 8 22.478 -8.262 7.067 1.00 0.00 N ATOM 67 CA ASN A 8 22.575 -7.482 5.838 1.00 0.00 C ATOM 68 C ASN A 8 22.296 -6.006 6.107 1.00 0.00 C ATOM 69 O ASN A 8 21.419 -5.663 6.899 1.00 0.00 O ATOM 70 CB ASN A 8 21.593 -8.016 4.793 1.00 0.00 C ATOM 71 CG ASN A 8 21.584 -9.531 4.729 1.00 0.00 C ATOM 72 OD1 ASN A 8 22.343 -10.137 3.973 1.00 0.00 O ATOM 73 ND2 ASN A 8 20.720 -10.151 5.525 1.00 0.00 N ATOM 0 H ASN A 8 21.664 -8.875 7.115 1.00 0.00 H new ATOM 0 HA ASN A 8 23.591 -7.577 5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 8 20.590 -7.659 5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 8 21.855 -7.615 3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 8 20.667 -11.170 5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 8 20.109 -9.608 6.136 1.00 0.00 H new ATOM 80 N VAL A 9 23.049 -5.137 5.441 1.00 0.00 N ATOM 81 CA VAL A 9 22.883 -3.698 5.605 1.00 0.00 C ATOM 82 C VAL A 9 22.703 -3.007 4.258 1.00 0.00 C ATOM 83 O VAL A 9 23.585 -2.280 3.800 1.00 0.00 O ATOM 84 CB VAL A 9 24.088 -3.073 6.333 1.00 0.00 C ATOM 85 CG1 VAL A 9 24.057 -3.421 7.814 1.00 0.00 C ATOM 86 CG2 VAL A 9 25.391 -3.533 5.696 1.00 0.00 C ATOM 0 H VAL A 9 23.780 -5.405 4.782 1.00 0.00 H new ATOM 0 HA VAL A 9 21.987 -3.550 6.208 1.00 0.00 H new ATOM 0 HB VAL A 9 24.026 -1.989 6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 9 24.916 -2.971 8.312 1.00 0.00 H new ATOM 0 HG12 VAL A 9 23.138 -3.038 8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.094 -4.504 7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 9 26.232 -3.082 6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 9 25.463 -4.619 5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 9 25.412 -3.228 4.650 1.00 0.00 H new ATOM 96 N GLN A 10 21.556 -3.240 3.629 1.00 0.00 N ATOM 97 CA GLN A 10 21.261 -2.640 2.333 1.00 0.00 C ATOM 98 C GLN A 10 19.834 -2.103 2.294 1.00 0.00 C ATOM 99 O GLN A 10 19.051 -2.331 3.214 1.00 0.00 O ATOM 100 CB GLN A 10 21.464 -3.664 1.215 1.00 0.00 C ATOM 101 CG GLN A 10 20.427 -4.776 1.212 1.00 0.00 C ATOM 102 CD GLN A 10 20.710 -5.836 0.166 1.00 0.00 C ATOM 103 OE1 GLN A 10 21.727 -6.528 0.226 1.00 0.00 O ATOM 104 NE2 GLN A 10 19.810 -5.969 -0.801 1.00 0.00 N ATOM 0 H GLN A 10 20.816 -3.839 3.995 1.00 0.00 H new ATOM 0 HA GLN A 10 21.948 -1.807 2.182 1.00 0.00 H new ATOM 0 HB2 GLN A 10 21.436 -3.150 0.254 1.00 0.00 H new ATOM 0 HB3 GLN A 10 22.456 -4.104 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 10 20.397 -5.242 2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 10 19.441 -4.348 1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.981 -5.374 -0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 10 19.947 -6.666 -1.533 1.00 0.00 H new ATOM 113 N GLU A 11 19.505 -1.389 1.222 1.00 0.00 N ATOM 114 CA GLU A 11 18.172 -0.819 1.065 1.00 0.00 C ATOM 115 C GLU A 11 17.099 -1.888 1.242 1.00 0.00 C ATOM 116 O GLU A 11 17.303 -3.050 0.892 1.00 0.00 O ATOM 117 CB GLU A 11 18.033 -0.163 -0.311 1.00 0.00 C ATOM 118 CG GLU A 11 17.620 1.298 -0.250 1.00 0.00 C ATOM 119 CD GLU A 11 18.788 2.243 -0.457 1.00 0.00 C ATOM 120 OE1 GLU A 11 19.827 2.058 0.210 1.00 0.00 O ATOM 121 OE2 GLU A 11 18.662 3.168 -1.286 1.00 0.00 O ATOM 0 H GLU A 11 20.142 -1.192 0.450 1.00 0.00 H new ATOM 0 HA GLU A 11 18.035 -0.061 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.983 -0.241 -0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.297 -0.716 -0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.863 1.490 -1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.160 1.502 0.717 1.00 0.00 H new ATOM 128 N GLU A 12 15.955 -1.486 1.788 1.00 0.00 N ATOM 129 CA GLU A 12 14.850 -2.410 2.013 1.00 0.00 C ATOM 130 C GLU A 12 13.970 -2.519 0.771 1.00 0.00 C ATOM 131 O GLU A 12 12.945 -1.846 0.662 1.00 0.00 O ATOM 132 CB GLU A 12 14.010 -1.955 3.208 1.00 0.00 C ATOM 133 CG GLU A 12 14.833 -1.644 4.447 1.00 0.00 C ATOM 134 CD GLU A 12 13.981 -1.180 5.612 1.00 0.00 C ATOM 135 OE1 GLU A 12 12.957 -0.508 5.369 1.00 0.00 O ATOM 136 OE2 GLU A 12 14.338 -1.491 6.768 1.00 0.00 O ATOM 0 H GLU A 12 15.770 -0.527 2.082 1.00 0.00 H new ATOM 0 HA GLU A 12 15.270 -3.393 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.443 -1.068 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.285 -2.733 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.390 -2.533 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.566 -0.873 4.208 1.00 0.00 H new ATOM 143 N VAL A 13 14.379 -3.370 -0.164 1.00 0.00 N ATOM 144 CA VAL A 13 13.629 -3.568 -1.399 1.00 0.00 C ATOM 145 C VAL A 13 13.049 -4.976 -1.469 1.00 0.00 C ATOM 146 O VAL A 13 13.263 -5.701 -2.442 1.00 0.00 O ATOM 147 CB VAL A 13 14.512 -3.326 -2.637 1.00 0.00 C ATOM 148 CG1 VAL A 13 14.816 -1.844 -2.795 1.00 0.00 C ATOM 149 CG2 VAL A 13 15.797 -4.136 -2.541 1.00 0.00 C ATOM 0 H VAL A 13 15.226 -3.934 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 13 12.816 -2.843 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 13 13.967 -3.656 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.441 -1.693 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.884 -1.292 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 13 15.342 -1.484 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.409 -3.953 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 13 16.349 -3.839 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 13 15.555 -5.197 -2.481 1.00 0.00 H new ATOM 159 N THR A 14 12.311 -5.359 -0.431 1.00 0.00 N ATOM 160 CA THR A 14 11.700 -6.681 -0.375 1.00 0.00 C ATOM 161 C THR A 14 10.288 -6.610 0.197 1.00 0.00 C ATOM 162 O THR A 14 10.083 -6.132 1.313 1.00 0.00 O ATOM 163 CB THR A 14 12.538 -7.652 0.478 1.00 0.00 C ATOM 164 OG1 THR A 14 13.435 -6.917 1.318 1.00 0.00 O ATOM 165 CG2 THR A 14 13.330 -8.603 -0.407 1.00 0.00 C ATOM 0 H THR A 14 12.122 -4.772 0.382 1.00 0.00 H new ATOM 0 HA THR A 14 11.657 -7.053 -1.399 1.00 0.00 H new ATOM 0 HB THR A 14 11.858 -8.237 1.097 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.963 -7.541 1.858 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.914 -9.279 0.217 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.644 -9.182 -1.025 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.001 -8.030 -1.048 1.00 0.00 H new ATOM 173 N CYS A 15 9.318 -7.088 -0.574 1.00 0.00 N ATOM 174 CA CYS A 15 7.924 -7.079 -0.145 1.00 0.00 C ATOM 175 C CYS A 15 7.780 -7.691 1.245 1.00 0.00 C ATOM 176 O CYS A 15 7.921 -8.899 1.437 1.00 0.00 O ATOM 177 CB CYS A 15 7.056 -7.845 -1.144 1.00 0.00 C ATOM 178 SG CYS A 15 5.266 -7.580 -0.930 1.00 0.00 S ATOM 0 H CYS A 15 9.471 -7.487 -1.500 1.00 0.00 H new ATOM 0 HA CYS A 15 7.589 -6.043 -0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.338 -7.550 -2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.268 -8.910 -1.052 1.00 0.00 H new ATOM 183 N PRO A 16 7.491 -6.839 2.240 1.00 0.00 N ATOM 184 CA PRO A 16 7.320 -7.273 3.630 1.00 0.00 C ATOM 185 C PRO A 16 6.048 -8.091 3.830 1.00 0.00 C ATOM 186 O PRO A 16 5.831 -8.666 4.896 1.00 0.00 O ATOM 187 CB PRO A 16 7.236 -5.956 4.405 1.00 0.00 C ATOM 188 CG PRO A 16 6.742 -4.962 3.411 1.00 0.00 C ATOM 189 CD PRO A 16 7.309 -5.386 2.085 1.00 0.00 C ATOM 0 HA PRO A 16 8.131 -7.924 3.956 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.557 -6.039 5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.209 -5.668 4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.652 -4.947 3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.068 -3.955 3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.631 -5.151 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.253 -4.883 1.872 1.00 0.00 H new ATOM 197 N ILE A 17 5.213 -8.138 2.797 1.00 0.00 N ATOM 198 CA ILE A 17 3.964 -8.887 2.860 1.00 0.00 C ATOM 199 C ILE A 17 4.190 -10.361 2.543 1.00 0.00 C ATOM 200 O ILE A 17 4.068 -11.221 3.415 1.00 0.00 O ATOM 201 CB ILE A 17 2.917 -8.318 1.884 1.00 0.00 C ATOM 202 CG1 ILE A 17 2.660 -6.840 2.183 1.00 0.00 C ATOM 203 CG2 ILE A 17 1.624 -9.114 1.972 1.00 0.00 C ATOM 204 CD1 ILE A 17 3.066 -5.916 1.055 1.00 0.00 C ATOM 0 H ILE A 17 5.379 -7.667 1.908 1.00 0.00 H new ATOM 0 HA ILE A 17 3.589 -8.791 3.879 1.00 0.00 H new ATOM 0 HB ILE A 17 3.304 -8.402 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.600 -6.699 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.204 -6.560 3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.894 -8.700 1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.820 -10.155 1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.231 -9.058 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.855 -4.884 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.132 -6.028 0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.503 -6.169 0.157 1.00 0.00 H new ATOM 216 N CYS A 18 4.523 -10.646 1.288 1.00 0.00 N ATOM 217 CA CYS A 18 4.768 -12.016 0.854 1.00 0.00 C ATOM 218 C CYS A 18 6.178 -12.462 1.232 1.00 0.00 C ATOM 219 O CYS A 18 6.484 -13.655 1.232 1.00 0.00 O ATOM 220 CB CYS A 18 4.571 -12.137 -0.658 1.00 0.00 C ATOM 221 SG CYS A 18 5.796 -11.217 -1.644 1.00 0.00 S ATOM 0 H CYS A 18 4.629 -9.946 0.554 1.00 0.00 H new ATOM 0 HA CYS A 18 4.053 -12.665 1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.614 -13.190 -0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.573 -11.780 -0.913 1.00 0.00 H new ATOM 226 N LEU A 19 7.031 -11.496 1.553 1.00 0.00 N ATOM 227 CA LEU A 19 8.409 -11.788 1.933 1.00 0.00 C ATOM 228 C LEU A 19 9.156 -12.472 0.792 1.00 0.00 C ATOM 229 O LEU A 19 9.680 -13.574 0.953 1.00 0.00 O ATOM 230 CB LEU A 19 8.438 -12.674 3.180 1.00 0.00 C ATOM 231 CG LEU A 19 7.631 -12.173 4.378 1.00 0.00 C ATOM 232 CD1 LEU A 19 7.738 -13.149 5.539 1.00 0.00 C ATOM 233 CD2 LEU A 19 8.102 -10.788 4.797 1.00 0.00 C ATOM 0 H LEU A 19 6.793 -10.504 1.558 1.00 0.00 H new ATOM 0 HA LEU A 19 8.907 -10.844 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.070 -13.663 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.476 -12.795 3.491 1.00 0.00 H new ATOM 0 HG LEU A 19 6.584 -12.104 4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.157 -12.776 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.351 -14.121 5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.782 -13.250 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.516 -10.447 5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.156 -10.830 5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.972 -10.093 3.967 1.00 0.00 H new ATOM 245 N GLU A 20 9.201 -11.810 -0.360 1.00 0.00 N ATOM 246 CA GLU A 20 9.885 -12.354 -1.527 1.00 0.00 C ATOM 247 C GLU A 20 10.514 -11.240 -2.358 1.00 0.00 C ATOM 248 O GLU A 20 10.172 -10.066 -2.204 1.00 0.00 O ATOM 249 CB GLU A 20 8.910 -13.160 -2.388 1.00 0.00 C ATOM 250 CG GLU A 20 8.366 -14.398 -1.695 1.00 0.00 C ATOM 251 CD GLU A 20 7.207 -15.024 -2.446 1.00 0.00 C ATOM 252 OE1 GLU A 20 7.183 -14.923 -3.691 1.00 0.00 O ATOM 253 OE2 GLU A 20 6.324 -15.616 -1.789 1.00 0.00 O ATOM 0 H GLU A 20 8.772 -10.897 -0.510 1.00 0.00 H new ATOM 0 HA GLU A 20 10.679 -13.013 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.077 -12.519 -2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.413 -13.460 -3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.165 -15.132 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.042 -14.134 -0.688 1.00 0.00 H new ATOM 260 N LEU A 21 11.435 -11.614 -3.239 1.00 0.00 N ATOM 261 CA LEU A 21 12.113 -10.647 -4.095 1.00 0.00 C ATOM 262 C LEU A 21 11.105 -9.766 -4.826 1.00 0.00 C ATOM 263 O LEU A 21 10.143 -10.262 -5.416 1.00 0.00 O ATOM 264 CB LEU A 21 13.004 -11.369 -5.107 1.00 0.00 C ATOM 265 CG LEU A 21 14.195 -10.573 -5.641 1.00 0.00 C ATOM 266 CD1 LEU A 21 15.225 -11.504 -6.262 1.00 0.00 C ATOM 267 CD2 LEU A 21 13.732 -9.535 -6.653 1.00 0.00 C ATOM 0 H LEU A 21 11.730 -12.580 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 21 12.733 -10.011 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.381 -12.281 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.387 -11.672 -5.953 1.00 0.00 H new ATOM 0 HG LEU A 21 14.664 -10.053 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 21 16.065 -10.919 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 21 15.580 -12.208 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.769 -12.053 -7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.593 -8.978 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.238 -10.034 -7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.033 -8.848 -6.176 1.00 0.00 H new ATOM 279 N LEU A 22 11.331 -8.458 -4.785 1.00 0.00 N ATOM 280 CA LEU A 22 10.444 -7.507 -5.445 1.00 0.00 C ATOM 281 C LEU A 22 10.560 -7.616 -6.962 1.00 0.00 C ATOM 282 O LEU A 22 11.612 -7.336 -7.537 1.00 0.00 O ATOM 283 CB LEU A 22 10.770 -6.080 -4.999 1.00 0.00 C ATOM 284 CG LEU A 22 10.194 -5.651 -3.649 1.00 0.00 C ATOM 285 CD1 LEU A 22 10.647 -4.242 -3.299 1.00 0.00 C ATOM 286 CD2 LEU A 22 8.675 -5.736 -3.666 1.00 0.00 C ATOM 0 H LEU A 22 12.121 -8.031 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 22 9.420 -7.746 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.854 -5.972 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.408 -5.391 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 22 10.567 -6.331 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.227 -3.954 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.735 -4.213 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.303 -3.548 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.282 -5.427 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.283 -5.080 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.370 -6.762 -3.870 1.00 0.00 H new ATOM 298 N THR A 23 9.471 -8.025 -7.606 1.00 0.00 N ATOM 299 CA THR A 23 9.450 -8.170 -9.056 1.00 0.00 C ATOM 300 C THR A 23 8.633 -7.060 -9.708 1.00 0.00 C ATOM 301 O THR A 23 7.447 -7.231 -9.984 1.00 0.00 O ATOM 302 CB THR A 23 8.868 -9.534 -9.475 1.00 0.00 C ATOM 303 OG1 THR A 23 7.733 -9.853 -8.663 1.00 0.00 O ATOM 304 CG2 THR A 23 9.915 -10.630 -9.347 1.00 0.00 C ATOM 0 H THR A 23 8.592 -8.262 -7.146 1.00 0.00 H new ATOM 0 HA THR A 23 10.484 -8.104 -9.396 1.00 0.00 H new ATOM 0 HB THR A 23 8.559 -9.468 -10.518 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.081 -9.123 -8.710 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.482 -11.584 -9.648 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.765 -10.398 -9.989 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.250 -10.694 -8.312 1.00 0.00 H new ATOM 312 N GLU A 24 9.278 -5.923 -9.953 1.00 0.00 N ATOM 313 CA GLU A 24 8.609 -4.785 -10.573 1.00 0.00 C ATOM 314 C GLU A 24 7.485 -4.263 -9.683 1.00 0.00 C ATOM 315 O GLU A 24 6.302 -4.376 -10.003 1.00 0.00 O ATOM 316 CB GLU A 24 8.050 -5.178 -11.942 1.00 0.00 C ATOM 317 CG GLU A 24 9.028 -5.969 -12.795 1.00 0.00 C ATOM 318 CD GLU A 24 10.313 -5.211 -13.063 1.00 0.00 C ATOM 319 OE1 GLU A 24 11.162 -5.139 -12.150 1.00 0.00 O ATOM 320 OE2 GLU A 24 10.471 -4.691 -14.187 1.00 0.00 O ATOM 0 H GLU A 24 10.261 -5.766 -9.732 1.00 0.00 H new ATOM 0 HA GLU A 24 9.344 -3.991 -10.703 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.145 -5.769 -11.800 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.760 -4.275 -12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.262 -6.909 -12.295 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.555 -6.222 -13.744 1.00 0.00 H new ATOM 327 N PRO A 25 7.862 -3.678 -8.536 1.00 0.00 N ATOM 328 CA PRO A 25 6.902 -3.126 -7.576 1.00 0.00 C ATOM 329 C PRO A 25 6.210 -1.874 -8.102 1.00 0.00 C ATOM 330 O PRO A 25 6.389 -1.492 -9.260 1.00 0.00 O ATOM 331 CB PRO A 25 7.770 -2.787 -6.361 1.00 0.00 C ATOM 332 CG PRO A 25 9.135 -2.572 -6.919 1.00 0.00 C ATOM 333 CD PRO A 25 9.255 -3.508 -8.090 1.00 0.00 C ATOM 0 HA PRO A 25 6.095 -3.826 -7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.406 -1.895 -5.851 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.764 -3.597 -5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.270 -1.537 -7.231 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.900 -2.782 -6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.881 -3.088 -8.878 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.703 -4.459 -7.800 1.00 0.00 H new ATOM 341 N LEU A 26 5.419 -1.237 -7.246 1.00 0.00 N ATOM 342 CA LEU A 26 4.699 -0.025 -7.625 1.00 0.00 C ATOM 343 C LEU A 26 4.841 1.050 -6.553 1.00 0.00 C ATOM 344 O LEU A 26 4.242 0.954 -5.481 1.00 0.00 O ATOM 345 CB LEU A 26 3.220 -0.339 -7.857 1.00 0.00 C ATOM 346 CG LEU A 26 2.920 -1.615 -8.644 1.00 0.00 C ATOM 347 CD1 LEU A 26 1.431 -1.923 -8.614 1.00 0.00 C ATOM 348 CD2 LEU A 26 3.411 -1.485 -10.079 1.00 0.00 C ATOM 0 H LEU A 26 5.259 -1.539 -6.285 1.00 0.00 H new ATOM 0 HA LEU A 26 5.133 0.352 -8.551 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.728 -0.410 -6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.769 0.503 -8.382 1.00 0.00 H new ATOM 0 HG LEU A 26 3.451 -2.442 -8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.237 -2.834 -9.179 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.109 -2.060 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.879 -1.095 -9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.189 -2.402 -10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.909 -0.646 -10.561 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.487 -1.313 -10.081 1.00 0.00 H new ATOM 360 N SER A 27 5.634 2.074 -6.850 1.00 0.00 N ATOM 361 CA SER A 27 5.855 3.167 -5.910 1.00 0.00 C ATOM 362 C SER A 27 4.528 3.739 -5.420 1.00 0.00 C ATOM 363 O SER A 27 3.719 4.228 -6.210 1.00 0.00 O ATOM 364 CB SER A 27 6.688 4.271 -6.566 1.00 0.00 C ATOM 365 OG SER A 27 6.834 5.383 -5.700 1.00 0.00 O ATOM 0 H SER A 27 6.134 2.170 -7.734 1.00 0.00 H new ATOM 0 HA SER A 27 6.399 2.772 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.671 3.881 -6.831 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.211 4.588 -7.493 1.00 0.00 H new ATOM 0 HG SER A 27 7.371 6.073 -6.142 1.00 0.00 H new ATOM 371 N LEU A 28 4.312 3.674 -4.111 1.00 0.00 N ATOM 372 CA LEU A 28 3.083 4.185 -3.513 1.00 0.00 C ATOM 373 C LEU A 28 3.249 5.640 -3.086 1.00 0.00 C ATOM 374 O LEU A 28 4.279 6.261 -3.350 1.00 0.00 O ATOM 375 CB LEU A 28 2.685 3.330 -2.308 1.00 0.00 C ATOM 376 CG LEU A 28 2.460 1.843 -2.585 1.00 0.00 C ATOM 377 CD1 LEU A 28 2.018 1.126 -1.319 1.00 0.00 C ATOM 378 CD2 LEU A 28 1.433 1.657 -3.692 1.00 0.00 C ATOM 0 H LEU A 28 4.971 3.273 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 28 2.294 4.134 -4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.461 3.424 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.770 3.742 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 28 3.403 1.407 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.863 0.069 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.787 1.231 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.087 1.564 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.285 0.593 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.488 2.108 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.790 2.137 -4.603 1.00 0.00 H new ATOM 390 N ASP A 29 2.230 6.177 -2.424 1.00 0.00 N ATOM 391 CA ASP A 29 2.264 7.558 -1.957 1.00 0.00 C ATOM 392 C ASP A 29 2.891 7.647 -0.569 1.00 0.00 C ATOM 393 O ASP A 29 3.753 8.490 -0.318 1.00 0.00 O ATOM 394 CB ASP A 29 0.852 8.145 -1.931 1.00 0.00 C ATOM 395 CG ASP A 29 0.398 8.620 -3.297 1.00 0.00 C ATOM 396 OD1 ASP A 29 1.262 9.031 -4.100 1.00 0.00 O ATOM 397 OD2 ASP A 29 -0.821 8.581 -3.563 1.00 0.00 O ATOM 0 H ASP A 29 1.370 5.677 -2.199 1.00 0.00 H new ATOM 0 HA ASP A 29 2.876 8.135 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.156 7.393 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.821 8.980 -1.231 1.00 0.00 H new ATOM 402 N CYS A 30 2.452 6.773 0.330 1.00 0.00 N ATOM 403 CA CYS A 30 2.968 6.753 1.693 1.00 0.00 C ATOM 404 C CYS A 30 4.489 6.617 1.698 1.00 0.00 C ATOM 405 O CYS A 30 5.160 7.069 2.624 1.00 0.00 O ATOM 406 CB CYS A 30 2.341 5.602 2.482 1.00 0.00 C ATOM 407 SG CYS A 30 2.799 3.947 1.874 1.00 0.00 S ATOM 0 H CYS A 30 1.739 6.069 0.139 1.00 0.00 H new ATOM 0 HA CYS A 30 2.703 7.698 2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.638 5.688 3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.256 5.702 2.449 1.00 0.00 H new ATOM 412 N GLY A 31 5.024 5.991 0.654 1.00 0.00 N ATOM 413 CA GLY A 31 6.461 5.807 0.557 1.00 0.00 C ATOM 414 C GLY A 31 6.888 4.393 0.896 1.00 0.00 C ATOM 415 O GLY A 31 7.655 4.177 1.835 1.00 0.00 O ATOM 0 H GLY A 31 4.489 5.608 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.788 6.049 -0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.960 6.505 1.229 1.00 0.00 H new ATOM 419 N HIS A 32 6.390 3.426 0.131 1.00 0.00 N ATOM 420 CA HIS A 32 6.725 2.025 0.356 1.00 0.00 C ATOM 421 C HIS A 32 6.786 1.262 -0.964 1.00 0.00 C ATOM 422 O HIS A 32 6.185 1.672 -1.957 1.00 0.00 O ATOM 423 CB HIS A 32 5.699 1.377 1.287 1.00 0.00 C ATOM 424 CG HIS A 32 5.947 1.654 2.737 1.00 0.00 C ATOM 425 ND1 HIS A 32 4.932 1.806 3.658 1.00 0.00 N ATOM 426 CD2 HIS A 32 7.103 1.806 3.425 1.00 0.00 C ATOM 427 CE1 HIS A 32 5.453 2.041 4.850 1.00 0.00 C ATOM 428 NE2 HIS A 32 6.769 2.045 4.735 1.00 0.00 N ATOM 0 H HIS A 32 5.753 3.587 -0.649 1.00 0.00 H new ATOM 0 HA HIS A 32 7.708 1.982 0.825 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.704 1.734 1.022 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.704 0.299 1.126 1.00 0.00 H new ATOM 0 HD2 HIS A 32 8.102 1.750 3.019 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.898 2.202 5.762 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.430 2.200 5.496 1.00 0.00 H new ATOM 436 N SER A 33 7.515 0.151 -0.967 1.00 0.00 N ATOM 437 CA SER A 33 7.657 -0.667 -2.166 1.00 0.00 C ATOM 438 C SER A 33 7.131 -2.079 -1.926 1.00 0.00 C ATOM 439 O SER A 33 7.480 -2.725 -0.937 1.00 0.00 O ATOM 440 CB SER A 33 9.124 -0.724 -2.598 1.00 0.00 C ATOM 441 OG SER A 33 9.235 -0.883 -4.002 1.00 0.00 O ATOM 0 H SER A 33 8.017 -0.204 -0.153 1.00 0.00 H new ATOM 0 HA SER A 33 7.068 -0.209 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.633 0.190 -2.291 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.623 -1.552 -2.094 1.00 0.00 H new ATOM 0 HG SER A 33 10.182 -0.915 -4.254 1.00 0.00 H new ATOM 447 N LEU A 34 6.289 -2.552 -2.838 1.00 0.00 N ATOM 448 CA LEU A 34 5.713 -3.888 -2.728 1.00 0.00 C ATOM 449 C LEU A 34 5.265 -4.402 -4.093 1.00 0.00 C ATOM 450 O LEU A 34 5.297 -3.672 -5.084 1.00 0.00 O ATOM 451 CB LEU A 34 4.528 -3.875 -1.761 1.00 0.00 C ATOM 452 CG LEU A 34 3.653 -2.621 -1.787 1.00 0.00 C ATOM 453 CD1 LEU A 34 2.217 -2.964 -1.421 1.00 0.00 C ATOM 454 CD2 LEU A 34 4.208 -1.564 -0.844 1.00 0.00 C ATOM 0 H LEU A 34 5.990 -2.030 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 34 6.481 -4.558 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.898 -4.738 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.910 -4.006 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 34 3.661 -2.216 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.609 -2.059 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.822 -3.686 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.189 -3.393 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.573 -0.679 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.231 -1.958 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.219 -1.296 -1.152 1.00 0.00 H new ATOM 466 N CYS A 35 4.845 -5.662 -4.136 1.00 0.00 N ATOM 467 CA CYS A 35 4.388 -6.274 -5.378 1.00 0.00 C ATOM 468 C CYS A 35 3.033 -5.711 -5.795 1.00 0.00 C ATOM 469 O CYS A 35 2.422 -4.929 -5.066 1.00 0.00 O ATOM 470 CB CYS A 35 4.295 -7.792 -5.218 1.00 0.00 C ATOM 471 SG CYS A 35 5.747 -8.547 -4.417 1.00 0.00 S ATOM 0 H CYS A 35 4.812 -6.279 -3.325 1.00 0.00 H new ATOM 0 HA CYS A 35 5.113 -6.041 -6.158 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.406 -8.031 -4.634 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.161 -8.243 -6.201 1.00 0.00 H new ATOM 476 N ARG A 36 2.568 -6.114 -6.973 1.00 0.00 N ATOM 477 CA ARG A 36 1.286 -5.650 -7.489 1.00 0.00 C ATOM 478 C ARG A 36 0.167 -6.618 -7.115 1.00 0.00 C ATOM 479 O ARG A 36 -0.961 -6.205 -6.848 1.00 0.00 O ATOM 480 CB ARG A 36 1.350 -5.491 -9.009 1.00 0.00 C ATOM 481 CG ARG A 36 1.832 -6.739 -9.732 1.00 0.00 C ATOM 482 CD ARG A 36 1.710 -6.590 -11.240 1.00 0.00 C ATOM 483 NE ARG A 36 0.353 -6.858 -11.709 1.00 0.00 N ATOM 484 CZ ARG A 36 -0.027 -6.725 -12.975 1.00 0.00 C ATOM 485 NH1 ARG A 36 0.844 -6.330 -13.894 1.00 0.00 N ATOM 486 NH2 ARG A 36 -1.280 -6.988 -13.324 1.00 0.00 N ATOM 0 H ARG A 36 3.061 -6.761 -7.588 1.00 0.00 H new ATOM 0 HA ARG A 36 1.071 -4.681 -7.038 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.360 -5.226 -9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.014 -4.661 -9.252 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.871 -6.936 -9.467 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.250 -7.600 -9.402 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.000 -5.580 -11.529 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.404 -7.274 -11.729 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.341 -7.164 -11.027 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.808 -6.128 -13.629 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.550 -6.229 -14.865 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.952 -7.293 -12.620 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.571 -6.886 -14.296 1.00 0.00 H new ATOM 500 N ALA A 37 0.488 -7.907 -7.098 1.00 0.00 N ATOM 501 CA ALA A 37 -0.489 -8.933 -6.755 1.00 0.00 C ATOM 502 C ALA A 37 -0.828 -8.894 -5.269 1.00 0.00 C ATOM 503 O ALA A 37 -1.993 -9.002 -4.885 1.00 0.00 O ATOM 504 CB ALA A 37 0.032 -10.309 -7.143 1.00 0.00 C ATOM 0 H ALA A 37 1.417 -8.266 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.402 -8.731 -7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.708 -11.065 -6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.217 -10.339 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.961 -10.510 -6.609 1.00 0.00 H new ATOM 510 N CYS A 38 0.196 -8.739 -4.437 1.00 0.00 N ATOM 511 CA CYS A 38 0.007 -8.687 -2.992 1.00 0.00 C ATOM 512 C CYS A 38 -0.970 -7.578 -2.611 1.00 0.00 C ATOM 513 O CYS A 38 -1.611 -7.635 -1.562 1.00 0.00 O ATOM 514 CB CYS A 38 1.348 -8.464 -2.290 1.00 0.00 C ATOM 515 SG CYS A 38 2.577 -9.771 -2.603 1.00 0.00 S ATOM 0 H CYS A 38 1.166 -8.647 -4.739 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.410 -9.641 -2.670 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.760 -7.508 -2.612 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.176 -8.391 -1.216 1.00 0.00 H new ATOM 520 N ILE A 39 -1.077 -6.570 -3.471 1.00 0.00 N ATOM 521 CA ILE A 39 -1.976 -5.450 -3.225 1.00 0.00 C ATOM 522 C ILE A 39 -3.395 -5.772 -3.683 1.00 0.00 C ATOM 523 O ILE A 39 -4.326 -5.811 -2.878 1.00 0.00 O ATOM 524 CB ILE A 39 -1.495 -4.174 -3.942 1.00 0.00 C ATOM 525 CG1 ILE A 39 -0.087 -3.800 -3.474 1.00 0.00 C ATOM 526 CG2 ILE A 39 -2.464 -3.029 -3.693 1.00 0.00 C ATOM 527 CD1 ILE A 39 0.597 -2.789 -4.367 1.00 0.00 C ATOM 0 H ILE A 39 -0.552 -6.507 -4.343 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.975 -5.276 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.461 -4.368 -5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.144 -3.399 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.523 -4.702 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.110 -2.135 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.450 -3.298 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.527 -2.832 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.590 -2.571 -3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.686 -3.195 -5.375 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.009 -1.872 -4.396 1.00 0.00 H new ATOM 539 N THR A 40 -3.553 -6.006 -4.982 1.00 0.00 N ATOM 540 CA THR A 40 -4.857 -6.326 -5.548 1.00 0.00 C ATOM 541 C THR A 40 -5.496 -7.505 -4.823 1.00 0.00 C ATOM 542 O THR A 40 -4.868 -8.141 -3.977 1.00 0.00 O ATOM 543 CB THR A 40 -4.753 -6.656 -7.049 1.00 0.00 C ATOM 544 OG1 THR A 40 -6.062 -6.759 -7.620 1.00 0.00 O ATOM 545 CG2 THR A 40 -3.996 -7.958 -7.266 1.00 0.00 C ATOM 0 H THR A 40 -2.793 -5.980 -5.662 1.00 0.00 H new ATOM 0 HA THR A 40 -5.482 -5.442 -5.421 1.00 0.00 H new ATOM 0 HB THR A 40 -4.206 -5.850 -7.538 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.987 -6.967 -8.575 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.935 -8.170 -8.333 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.990 -7.867 -6.857 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.520 -8.771 -6.764 1.00 0.00 H new ATOM 553 N VAL A 41 -6.749 -7.793 -5.161 1.00 0.00 N ATOM 554 CA VAL A 41 -7.473 -8.897 -4.543 1.00 0.00 C ATOM 555 C VAL A 41 -7.576 -10.086 -5.492 1.00 0.00 C ATOM 556 O VAL A 41 -7.933 -9.931 -6.660 1.00 0.00 O ATOM 557 CB VAL A 41 -8.890 -8.471 -4.116 1.00 0.00 C ATOM 558 CG1 VAL A 41 -9.582 -9.596 -3.360 1.00 0.00 C ATOM 559 CG2 VAL A 41 -8.834 -7.206 -3.273 1.00 0.00 C ATOM 0 H VAL A 41 -7.284 -7.277 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.908 -9.190 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.472 -8.257 -5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.582 -9.276 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.656 -10.474 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.005 -9.845 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.844 -6.919 -2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.236 -7.390 -2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.382 -6.402 -3.854 1.00 0.00 H new ATOM 569 N SER A 42 -7.262 -11.273 -4.982 1.00 0.00 N ATOM 570 CA SER A 42 -7.316 -12.488 -5.786 1.00 0.00 C ATOM 571 C SER A 42 -8.720 -13.086 -5.773 1.00 0.00 C ATOM 572 O SER A 42 -9.107 -13.768 -4.825 1.00 0.00 O ATOM 573 CB SER A 42 -6.308 -13.514 -5.265 1.00 0.00 C ATOM 574 OG SER A 42 -5.899 -14.396 -6.296 1.00 0.00 O ATOM 0 H SER A 42 -6.968 -11.419 -4.016 1.00 0.00 H new ATOM 0 HA SER A 42 -7.061 -12.227 -6.813 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.438 -12.999 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.753 -14.084 -4.450 1.00 0.00 H new ATOM 0 HG SER A 42 -5.254 -15.041 -5.938 1.00 0.00 H new ATOM 580 N ASN A 43 -9.477 -12.824 -6.833 1.00 0.00 N ATOM 581 CA ASN A 43 -10.839 -13.335 -6.945 1.00 0.00 C ATOM 582 C ASN A 43 -11.133 -13.792 -8.370 1.00 0.00 C ATOM 583 O ASN A 43 -10.466 -13.376 -9.318 1.00 0.00 O ATOM 584 CB ASN A 43 -11.845 -12.262 -6.523 1.00 0.00 C ATOM 585 CG ASN A 43 -13.242 -12.821 -6.335 1.00 0.00 C ATOM 586 OD1 ASN A 43 -13.413 -13.978 -5.950 1.00 0.00 O ATOM 587 ND2 ASN A 43 -14.249 -12.000 -6.608 1.00 0.00 N ATOM 0 H ASN A 43 -9.171 -12.261 -7.627 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.934 -14.194 -6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.512 -11.802 -5.592 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.870 -11.475 -7.277 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.211 -12.320 -6.501 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.060 -11.049 -6.924 1.00 0.00 H new ATOM 594 N LYS A 44 -12.137 -14.650 -8.515 1.00 0.00 N ATOM 595 CA LYS A 44 -12.522 -15.164 -9.824 1.00 0.00 C ATOM 596 C LYS A 44 -13.301 -14.115 -10.612 1.00 0.00 C ATOM 597 O LYS A 44 -13.267 -14.098 -11.842 1.00 0.00 O ATOM 598 CB LYS A 44 -13.366 -16.431 -9.670 1.00 0.00 C ATOM 599 CG LYS A 44 -12.688 -17.517 -8.852 1.00 0.00 C ATOM 600 CD LYS A 44 -13.548 -18.766 -8.761 1.00 0.00 C ATOM 601 CE LYS A 44 -13.411 -19.629 -10.006 1.00 0.00 C ATOM 602 NZ LYS A 44 -12.100 -20.334 -10.051 1.00 0.00 N ATOM 0 H LYS A 44 -12.699 -15.004 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.612 -15.406 -10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.314 -16.171 -9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.599 -16.825 -10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.728 -17.767 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.481 -17.143 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.260 -19.344 -7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.592 -18.481 -8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.218 -20.361 -10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.519 -19.006 -10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.133 -21.083 -10.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.349 -19.656 -10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.901 -20.757 -9.122 1.00 0.00 H new ATOM 616 N GLU A 45 -14.001 -13.241 -9.894 1.00 0.00 N ATOM 617 CA GLU A 45 -14.787 -12.189 -10.528 1.00 0.00 C ATOM 618 C GLU A 45 -14.232 -10.811 -10.180 1.00 0.00 C ATOM 619 O GLU A 45 -14.544 -10.252 -9.128 1.00 0.00 O ATOM 620 CB GLU A 45 -16.251 -12.286 -10.095 1.00 0.00 C ATOM 621 CG GLU A 45 -16.851 -13.669 -10.280 1.00 0.00 C ATOM 622 CD GLU A 45 -18.354 -13.633 -10.473 1.00 0.00 C ATOM 623 OE1 GLU A 45 -18.831 -12.780 -11.251 1.00 0.00 O ATOM 624 OE2 GLU A 45 -19.054 -14.456 -9.847 1.00 0.00 O ATOM 0 H GLU A 45 -14.039 -13.241 -8.875 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.725 -12.324 -11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.330 -12.003 -9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.838 -11.566 -10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.389 -14.148 -11.143 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.615 -14.282 -9.410 1.00 0.00 H new ATOM 631 N ALA A 46 -13.408 -10.269 -11.070 1.00 0.00 N ATOM 632 CA ALA A 46 -12.810 -8.956 -10.859 1.00 0.00 C ATOM 633 C ALA A 46 -13.620 -7.867 -11.554 1.00 0.00 C ATOM 634 O ALA A 46 -13.090 -6.811 -11.900 1.00 0.00 O ATOM 635 CB ALA A 46 -11.372 -8.945 -11.354 1.00 0.00 C ATOM 0 H ALA A 46 -13.139 -10.719 -11.945 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.815 -8.749 -9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.938 -7.959 -11.190 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.794 -9.691 -10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.352 -9.178 -12.419 1.00 0.00 H new ATOM 641 N VAL A 47 -14.907 -8.130 -11.756 1.00 0.00 N ATOM 642 CA VAL A 47 -15.790 -7.171 -12.410 1.00 0.00 C ATOM 643 C VAL A 47 -16.862 -6.669 -11.450 1.00 0.00 C ATOM 644 O VAL A 47 -17.325 -5.532 -11.557 1.00 0.00 O ATOM 645 CB VAL A 47 -16.471 -7.787 -13.646 1.00 0.00 C ATOM 646 CG1 VAL A 47 -17.265 -9.025 -13.257 1.00 0.00 C ATOM 647 CG2 VAL A 47 -17.364 -6.762 -14.328 1.00 0.00 C ATOM 0 H VAL A 47 -15.362 -8.999 -11.476 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.169 -6.333 -12.727 1.00 0.00 H new ATOM 0 HB VAL A 47 -15.698 -8.089 -14.353 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -17.739 -9.447 -14.143 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.595 -9.764 -12.818 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -18.031 -8.753 -12.531 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -17.837 -7.214 -15.199 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.132 -6.427 -13.631 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.763 -5.909 -14.643 1.00 0.00 H new ATOM 657 N THR A 48 -17.255 -7.523 -10.510 1.00 0.00 N ATOM 658 CA THR A 48 -18.274 -7.167 -9.531 1.00 0.00 C ATOM 659 C THR A 48 -17.826 -5.988 -8.675 1.00 0.00 C ATOM 660 O THR A 48 -16.747 -6.012 -8.084 1.00 0.00 O ATOM 661 CB THR A 48 -18.609 -8.356 -8.610 1.00 0.00 C ATOM 662 OG1 THR A 48 -17.449 -8.738 -7.862 1.00 0.00 O ATOM 663 CG2 THR A 48 -19.109 -9.543 -9.420 1.00 0.00 C ATOM 0 H THR A 48 -16.882 -8.467 -10.406 1.00 0.00 H new ATOM 0 HA THR A 48 -19.166 -6.888 -10.092 1.00 0.00 H new ATOM 0 HB THR A 48 -19.397 -8.046 -7.924 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.920 -7.941 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 48 -19.339 -10.370 -8.749 1.00 0.00 H new ATOM 0 HG22 THR A 48 -20.008 -9.258 -9.966 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.338 -9.852 -10.126 1.00 0.00 H new ATOM 671 N SER A 49 -18.662 -4.956 -8.613 1.00 0.00 N ATOM 672 CA SER A 49 -18.350 -3.765 -7.831 1.00 0.00 C ATOM 673 C SER A 49 -18.607 -4.007 -6.347 1.00 0.00 C ATOM 674 O SER A 49 -19.457 -3.356 -5.740 1.00 0.00 O ATOM 675 CB SER A 49 -19.183 -2.578 -8.318 1.00 0.00 C ATOM 676 OG SER A 49 -19.165 -2.488 -9.733 1.00 0.00 O ATOM 0 H SER A 49 -19.560 -4.921 -9.095 1.00 0.00 H new ATOM 0 HA SER A 49 -17.293 -3.538 -7.966 1.00 0.00 H new ATOM 0 HB2 SER A 49 -20.211 -2.684 -7.970 1.00 0.00 H new ATOM 0 HB3 SER A 49 -18.794 -1.656 -7.887 1.00 0.00 H new ATOM 0 HG SER A 49 -19.706 -1.723 -10.019 1.00 0.00 H new ATOM 682 N MET A 50 -17.867 -4.948 -5.770 1.00 0.00 N ATOM 683 CA MET A 50 -18.014 -5.275 -4.357 1.00 0.00 C ATOM 684 C MET A 50 -16.814 -4.778 -3.556 1.00 0.00 C ATOM 685 O MET A 50 -16.081 -5.568 -2.963 1.00 0.00 O ATOM 686 CB MET A 50 -18.172 -6.786 -4.175 1.00 0.00 C ATOM 687 CG MET A 50 -19.573 -7.291 -4.480 1.00 0.00 C ATOM 688 SD MET A 50 -19.858 -8.962 -3.864 1.00 0.00 S ATOM 689 CE MET A 50 -20.083 -8.644 -2.116 1.00 0.00 C ATOM 0 H MET A 50 -17.160 -5.497 -6.259 1.00 0.00 H new ATOM 0 HA MET A 50 -18.909 -4.776 -3.986 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.461 -7.298 -4.823 1.00 0.00 H new ATOM 0 HB3 MET A 50 -17.915 -7.049 -3.149 1.00 0.00 H new ATOM 0 HG2 MET A 50 -20.304 -6.615 -4.036 1.00 0.00 H new ATOM 0 HG3 MET A 50 -19.735 -7.273 -5.558 1.00 0.00 H new ATOM 0 HE1 MET A 50 -19.459 -9.326 -1.539 1.00 0.00 H new ATOM 0 HE2 MET A 50 -19.798 -7.616 -1.894 1.00 0.00 H new ATOM 0 HE3 MET A 50 -21.129 -8.796 -1.850 1.00 0.00 H new ATOM 699 N GLY A 51 -16.620 -3.462 -3.545 1.00 0.00 N ATOM 700 CA GLY A 51 -15.507 -2.883 -2.815 1.00 0.00 C ATOM 701 C GLY A 51 -14.205 -2.960 -3.586 1.00 0.00 C ATOM 702 O GLY A 51 -14.097 -2.429 -4.691 1.00 0.00 O ATOM 0 H GLY A 51 -17.213 -2.787 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.729 -1.841 -2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.393 -3.401 -1.863 1.00 0.00 H new ATOM 706 N GLY A 52 -13.210 -3.621 -3.002 1.00 0.00 N ATOM 707 CA GLY A 52 -11.921 -3.752 -3.655 1.00 0.00 C ATOM 708 C GLY A 52 -10.894 -2.779 -3.110 1.00 0.00 C ATOM 709 O GLY A 52 -9.690 -2.984 -3.265 1.00 0.00 O ATOM 0 H GLY A 52 -13.274 -4.068 -2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.555 -4.771 -3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.041 -3.587 -4.726 1.00 0.00 H new ATOM 713 N LYS A 53 -11.370 -1.715 -2.471 1.00 0.00 N ATOM 714 CA LYS A 53 -10.485 -0.706 -1.901 1.00 0.00 C ATOM 715 C LYS A 53 -9.497 -1.337 -0.926 1.00 0.00 C ATOM 716 O LYS A 53 -9.862 -1.708 0.190 1.00 0.00 O ATOM 717 CB LYS A 53 -11.302 0.374 -1.188 1.00 0.00 C ATOM 718 CG LYS A 53 -11.967 1.358 -2.135 1.00 0.00 C ATOM 719 CD LYS A 53 -11.017 2.473 -2.537 1.00 0.00 C ATOM 720 CE LYS A 53 -11.476 3.163 -3.813 1.00 0.00 C ATOM 721 NZ LYS A 53 -11.180 2.346 -5.022 1.00 0.00 N ATOM 0 H LYS A 53 -12.364 -1.529 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.923 -0.250 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.068 -0.105 -0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.650 0.922 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.310 0.832 -3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.849 1.785 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.950 3.204 -1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.016 2.065 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.548 3.354 -3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.984 4.132 -3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.398 2.898 -5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.173 2.085 -5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.762 1.484 -5.009 1.00 0.00 H new ATOM 735 N SER A 54 -8.244 -1.454 -1.353 1.00 0.00 N ATOM 736 CA SER A 54 -7.203 -2.043 -0.518 1.00 0.00 C ATOM 737 C SER A 54 -6.554 -0.984 0.368 1.00 0.00 C ATOM 738 O SER A 54 -6.977 0.172 0.384 1.00 0.00 O ATOM 739 CB SER A 54 -6.140 -2.716 -1.389 1.00 0.00 C ATOM 740 OG SER A 54 -5.464 -3.734 -0.672 1.00 0.00 O ATOM 0 H SER A 54 -7.925 -1.149 -2.272 1.00 0.00 H new ATOM 0 HA SER A 54 -7.667 -2.794 0.122 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.608 -3.141 -2.277 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.422 -1.971 -1.733 1.00 0.00 H new ATOM 0 HG SER A 54 -5.088 -4.383 -1.302 1.00 0.00 H new ATOM 746 N SER A 55 -5.524 -1.388 1.105 1.00 0.00 N ATOM 747 CA SER A 55 -4.819 -0.476 1.998 1.00 0.00 C ATOM 748 C SER A 55 -3.405 -0.976 2.279 1.00 0.00 C ATOM 749 O SER A 55 -3.183 -2.173 2.464 1.00 0.00 O ATOM 750 CB SER A 55 -5.586 -0.318 3.312 1.00 0.00 C ATOM 751 OG SER A 55 -5.392 0.972 3.864 1.00 0.00 O ATOM 0 H SER A 55 -5.159 -2.341 1.101 1.00 0.00 H new ATOM 0 HA SER A 55 -4.752 0.494 1.506 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.649 -0.487 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.255 -1.075 4.023 1.00 0.00 H new ATOM 0 HG SER A 55 -5.894 1.048 4.702 1.00 0.00 H new ATOM 757 N CYS A 56 -2.452 -0.051 2.308 1.00 0.00 N ATOM 758 CA CYS A 56 -1.059 -0.395 2.566 1.00 0.00 C ATOM 759 C CYS A 56 -0.934 -1.258 3.819 1.00 0.00 C ATOM 760 O CYS A 56 -1.116 -0.791 4.944 1.00 0.00 O ATOM 761 CB CYS A 56 -0.218 0.873 2.721 1.00 0.00 C ATOM 762 SG CYS A 56 1.580 0.584 2.677 1.00 0.00 S ATOM 0 H CYS A 56 -2.619 0.944 2.156 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.689 -0.966 1.714 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.482 1.571 1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.475 1.353 3.665 1.00 0.00 H new ATOM 767 N PRO A 57 -0.617 -2.546 3.621 1.00 0.00 N ATOM 768 CA PRO A 57 -0.460 -3.500 4.723 1.00 0.00 C ATOM 769 C PRO A 57 0.784 -3.220 5.560 1.00 0.00 C ATOM 770 O PRO A 57 0.964 -3.795 6.634 1.00 0.00 O ATOM 771 CB PRO A 57 -0.332 -4.848 4.009 1.00 0.00 C ATOM 772 CG PRO A 57 0.195 -4.512 2.656 1.00 0.00 C ATOM 773 CD PRO A 57 -0.386 -3.170 2.308 1.00 0.00 C ATOM 0 HA PRO A 57 -1.292 -3.451 5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.344 -5.516 4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.295 -5.355 3.944 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.284 -4.477 2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.098 -5.266 1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.300 -2.581 1.699 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.312 -3.268 1.741 1.00 0.00 H new ATOM 781 N VAL A 58 1.640 -2.334 5.061 1.00 0.00 N ATOM 782 CA VAL A 58 2.866 -1.977 5.764 1.00 0.00 C ATOM 783 C VAL A 58 2.583 -1.006 6.904 1.00 0.00 C ATOM 784 O VAL A 58 2.944 -1.259 8.054 1.00 0.00 O ATOM 785 CB VAL A 58 3.896 -1.345 4.809 1.00 0.00 C ATOM 786 CG1 VAL A 58 5.204 -1.074 5.538 1.00 0.00 C ATOM 787 CG2 VAL A 58 4.124 -2.242 3.602 1.00 0.00 C ATOM 0 H VAL A 58 1.507 -1.851 4.173 1.00 0.00 H new ATOM 0 HA VAL A 58 3.278 -2.900 6.172 1.00 0.00 H new ATOM 0 HB VAL A 58 3.501 -0.393 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.920 -0.628 4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.024 -0.389 6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.607 -2.011 5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.855 -1.780 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.497 -3.211 3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.184 -2.379 3.068 1.00 0.00 H new ATOM 797 N CYS A 59 1.934 0.107 6.579 1.00 0.00 N ATOM 798 CA CYS A 59 1.602 1.118 7.575 1.00 0.00 C ATOM 799 C CYS A 59 0.097 1.367 7.616 1.00 0.00 C ATOM 800 O CYS A 59 -0.493 1.492 8.689 1.00 0.00 O ATOM 801 CB CYS A 59 2.338 2.425 7.272 1.00 0.00 C ATOM 802 SG CYS A 59 2.214 2.962 5.536 1.00 0.00 S ATOM 0 H CYS A 59 1.627 0.332 5.632 1.00 0.00 H new ATOM 0 HA CYS A 59 1.919 0.749 8.550 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.940 3.211 7.914 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.390 2.305 7.530 1.00 0.00 H new ATOM 807 N GLY A 60 -0.518 1.437 6.440 1.00 0.00 N ATOM 808 CA GLY A 60 -1.949 1.670 6.363 1.00 0.00 C ATOM 809 C GLY A 60 -2.284 3.104 6.001 1.00 0.00 C ATOM 810 O GLY A 60 -2.454 3.949 6.881 1.00 0.00 O ATOM 0 H GLY A 60 -0.051 1.337 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.384 1.000 5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.406 1.424 7.321 1.00 0.00 H new ATOM 814 N ILE A 61 -2.377 3.379 4.705 1.00 0.00 N ATOM 815 CA ILE A 61 -2.693 4.720 4.230 1.00 0.00 C ATOM 816 C ILE A 61 -3.483 4.670 2.926 1.00 0.00 C ATOM 817 O ILE A 61 -2.936 4.360 1.868 1.00 0.00 O ATOM 818 CB ILE A 61 -1.418 5.555 4.012 1.00 0.00 C ATOM 819 CG1 ILE A 61 -0.614 5.647 5.311 1.00 0.00 C ATOM 820 CG2 ILE A 61 -1.775 6.945 3.504 1.00 0.00 C ATOM 821 CD1 ILE A 61 0.666 6.441 5.174 1.00 0.00 C ATOM 0 H ILE A 61 -2.238 2.691 3.965 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.300 5.193 5.002 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.803 5.062 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.235 6.104 6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.373 4.640 5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.863 7.523 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.310 6.860 2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.408 7.448 4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.184 6.465 6.133 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.307 5.972 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.431 7.459 4.863 1.00 0.00 H new ATOM 833 N SER A 62 -4.774 4.978 3.010 1.00 0.00 N ATOM 834 CA SER A 62 -5.640 4.966 1.838 1.00 0.00 C ATOM 835 C SER A 62 -5.059 5.832 0.724 1.00 0.00 C ATOM 836 O SER A 62 -4.939 7.049 0.866 1.00 0.00 O ATOM 837 CB SER A 62 -7.040 5.462 2.207 1.00 0.00 C ATOM 838 OG SER A 62 -7.408 5.030 3.505 1.00 0.00 O ATOM 0 H SER A 62 -5.242 5.239 3.878 1.00 0.00 H new ATOM 0 HA SER A 62 -5.709 3.939 1.478 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.067 6.551 2.161 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.763 5.094 1.479 1.00 0.00 H new ATOM 0 HG SER A 62 -8.305 5.361 3.718 1.00 0.00 H new ATOM 844 N TYR A 63 -4.699 5.195 -0.385 1.00 0.00 N ATOM 845 CA TYR A 63 -4.128 5.904 -1.523 1.00 0.00 C ATOM 846 C TYR A 63 -4.927 5.629 -2.793 1.00 0.00 C ATOM 847 O TYR A 63 -5.214 4.478 -3.122 1.00 0.00 O ATOM 848 CB TYR A 63 -2.668 5.495 -1.726 1.00 0.00 C ATOM 849 CG TYR A 63 -2.499 4.060 -2.172 1.00 0.00 C ATOM 850 CD1 TYR A 63 -2.464 3.024 -1.247 1.00 0.00 C ATOM 851 CD2 TYR A 63 -2.374 3.740 -3.518 1.00 0.00 C ATOM 852 CE1 TYR A 63 -2.309 1.711 -1.650 1.00 0.00 C ATOM 853 CE2 TYR A 63 -2.219 2.431 -3.930 1.00 0.00 C ATOM 854 CZ TYR A 63 -2.187 1.420 -2.992 1.00 0.00 C ATOM 855 OH TYR A 63 -2.033 0.114 -3.398 1.00 0.00 O ATOM 0 H TYR A 63 -4.793 4.188 -0.520 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.172 6.972 -1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.214 6.153 -2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.124 5.643 -0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.560 3.248 -0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.398 4.529 -4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.284 0.918 -0.918 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.123 2.200 -4.981 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.963 0.081 -4.375 1.00 0.00 H new ATOM 865 N SER A 64 -5.281 6.695 -3.504 1.00 0.00 N ATOM 866 CA SER A 64 -6.049 6.570 -4.737 1.00 0.00 C ATOM 867 C SER A 64 -5.144 6.193 -5.906 1.00 0.00 C ATOM 868 O SER A 64 -4.066 6.763 -6.080 1.00 0.00 O ATOM 869 CB SER A 64 -6.778 7.880 -5.044 1.00 0.00 C ATOM 870 OG SER A 64 -7.964 7.995 -4.277 1.00 0.00 O ATOM 0 H SER A 64 -5.048 7.654 -3.247 1.00 0.00 H new ATOM 0 HA SER A 64 -6.784 5.777 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.121 8.724 -4.832 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.022 7.924 -6.105 1.00 0.00 H new ATOM 0 HG SER A 64 -8.411 8.841 -4.490 1.00 0.00 H new ATOM 876 N PHE A 65 -5.589 5.229 -6.705 1.00 0.00 N ATOM 877 CA PHE A 65 -4.820 4.774 -7.857 1.00 0.00 C ATOM 878 C PHE A 65 -4.825 5.825 -8.964 1.00 0.00 C ATOM 879 O PHE A 65 -5.751 5.884 -9.772 1.00 0.00 O ATOM 880 CB PHE A 65 -5.386 3.456 -8.387 1.00 0.00 C ATOM 881 CG PHE A 65 -5.662 2.446 -7.310 1.00 0.00 C ATOM 882 CD1 PHE A 65 -4.646 1.642 -6.819 1.00 0.00 C ATOM 883 CD2 PHE A 65 -6.937 2.300 -6.788 1.00 0.00 C ATOM 884 CE1 PHE A 65 -4.896 0.712 -5.828 1.00 0.00 C ATOM 885 CE2 PHE A 65 -7.193 1.372 -5.797 1.00 0.00 C ATOM 886 CZ PHE A 65 -6.171 0.576 -5.317 1.00 0.00 C ATOM 0 H PHE A 65 -6.479 4.748 -6.576 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.791 4.616 -7.535 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.310 3.658 -8.929 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.683 3.029 -9.102 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.647 1.743 -7.216 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.740 2.919 -7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.095 0.092 -5.454 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.191 1.269 -5.398 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.369 -0.151 -4.544 1.00 0.00 H new ATOM 896 N GLU A 66 -3.785 6.652 -8.992 1.00 0.00 N ATOM 897 CA GLU A 66 -3.671 7.701 -9.998 1.00 0.00 C ATOM 898 C GLU A 66 -2.362 7.572 -10.772 1.00 0.00 C ATOM 899 O GLU A 66 -1.340 8.138 -10.384 1.00 0.00 O ATOM 900 CB GLU A 66 -3.754 9.080 -9.341 1.00 0.00 C ATOM 901 CG GLU A 66 -4.261 10.168 -10.272 1.00 0.00 C ATOM 902 CD GLU A 66 -3.307 10.449 -11.416 1.00 0.00 C ATOM 903 OE1 GLU A 66 -2.275 11.111 -11.178 1.00 0.00 O ATOM 904 OE2 GLU A 66 -3.592 10.008 -12.549 1.00 0.00 O ATOM 0 H GLU A 66 -3.010 6.616 -8.330 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.499 7.590 -10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.411 9.021 -8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.766 9.359 -8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.229 9.873 -10.676 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.419 11.084 -9.702 1.00 0.00 H new ATOM 911 N HIS A 67 -2.402 6.823 -11.870 1.00 0.00 N ATOM 912 CA HIS A 67 -1.219 6.619 -12.699 1.00 0.00 C ATOM 913 C HIS A 67 -0.063 6.067 -11.871 1.00 0.00 C ATOM 914 O HIS A 67 1.101 6.383 -12.123 1.00 0.00 O ATOM 915 CB HIS A 67 -0.805 7.932 -13.365 1.00 0.00 C ATOM 916 CG HIS A 67 -1.842 8.487 -14.292 1.00 0.00 C ATOM 917 ND1 HIS A 67 -1.706 9.700 -14.932 1.00 0.00 N ATOM 918 CD2 HIS A 67 -3.036 7.986 -14.686 1.00 0.00 C ATOM 919 CE1 HIS A 67 -2.773 9.923 -15.680 1.00 0.00 C ATOM 920 NE2 HIS A 67 -3.595 8.897 -15.548 1.00 0.00 N ATOM 0 H HIS A 67 -3.240 6.348 -12.206 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.468 5.891 -13.471 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.589 8.669 -12.592 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.119 7.772 -13.921 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.468 7.045 -14.380 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.944 10.795 -16.294 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -4.498 8.798 -16.011 1.00 0.00 H new ATOM 928 N LEU A 68 -0.391 5.243 -10.882 1.00 0.00 N ATOM 929 CA LEU A 68 0.621 4.647 -10.016 1.00 0.00 C ATOM 930 C LEU A 68 1.140 3.339 -10.604 1.00 0.00 C ATOM 931 O LEU A 68 2.328 3.209 -10.897 1.00 0.00 O ATOM 932 CB LEU A 68 0.044 4.399 -8.621 1.00 0.00 C ATOM 933 CG LEU A 68 -0.201 5.642 -7.765 1.00 0.00 C ATOM 934 CD1 LEU A 68 -1.038 5.293 -6.544 1.00 0.00 C ATOM 935 CD2 LEU A 68 1.121 6.269 -7.345 1.00 0.00 C ATOM 0 H LEU A 68 -1.349 4.972 -10.660 1.00 0.00 H new ATOM 0 HA LEU A 68 1.455 5.345 -9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.900 3.866 -8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.723 3.739 -8.081 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.752 6.368 -8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.202 6.190 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.999 4.890 -6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.514 4.549 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.928 7.152 -6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.698 5.548 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.686 6.556 -8.232 1.00 0.00 H new ATOM 947 N GLN A 69 0.241 2.376 -10.776 1.00 0.00 N ATOM 948 CA GLN A 69 0.609 1.078 -11.331 1.00 0.00 C ATOM 949 C GLN A 69 1.281 1.239 -12.691 1.00 0.00 C ATOM 950 O GLN A 69 2.122 0.428 -13.078 1.00 0.00 O ATOM 951 CB GLN A 69 -0.627 0.187 -11.461 1.00 0.00 C ATOM 952 CG GLN A 69 -1.535 0.571 -12.618 1.00 0.00 C ATOM 953 CD GLN A 69 -2.137 1.953 -12.453 1.00 0.00 C ATOM 954 OE1 GLN A 69 -2.577 2.325 -11.365 1.00 0.00 O ATOM 955 NE2 GLN A 69 -2.159 2.721 -13.536 1.00 0.00 N ATOM 0 H GLN A 69 -0.747 2.469 -10.539 1.00 0.00 H new ATOM 0 HA GLN A 69 1.317 0.607 -10.650 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.307 -0.847 -11.589 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.196 0.232 -10.533 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.968 0.535 -13.548 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.337 -0.162 -12.705 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.783 2.371 -14.417 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.552 3.661 -13.487 1.00 0.00 H new ATOM 964 N ALA A 70 0.903 2.290 -13.411 1.00 0.00 N ATOM 965 CA ALA A 70 1.470 2.557 -14.727 1.00 0.00 C ATOM 966 C ALA A 70 1.330 4.030 -15.096 1.00 0.00 C ATOM 967 O ALA A 70 0.308 4.655 -14.817 1.00 0.00 O ATOM 968 CB ALA A 70 0.801 1.682 -15.777 1.00 0.00 C ATOM 0 H ALA A 70 0.207 2.970 -13.105 1.00 0.00 H new ATOM 0 HA ALA A 70 2.533 2.317 -14.693 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.234 1.892 -16.755 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.957 0.632 -15.529 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.268 1.894 -15.800 1.00 0.00 H new ATOM 974 N ASN A 71 2.365 4.579 -15.724 1.00 0.00 N ATOM 975 CA ASN A 71 2.358 5.980 -16.130 1.00 0.00 C ATOM 976 C ASN A 71 2.601 6.113 -17.630 1.00 0.00 C ATOM 977 O ASN A 71 1.942 6.901 -18.307 1.00 0.00 O ATOM 978 CB ASN A 71 3.423 6.761 -15.358 1.00 0.00 C ATOM 979 CG ASN A 71 4.749 6.029 -15.299 1.00 0.00 C ATOM 980 OD1 ASN A 71 5.633 6.257 -16.125 1.00 0.00 O ATOM 981 ND2 ASN A 71 4.893 5.143 -14.321 1.00 0.00 N ATOM 0 H ASN A 71 3.219 4.075 -15.963 1.00 0.00 H new ATOM 0 HA ASN A 71 1.376 6.394 -15.901 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.569 7.733 -15.829 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.069 6.948 -14.344 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.763 4.619 -14.232 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.133 4.987 -13.659 1.00 0.00 H new ATOM 988 N GLN A 72 3.551 5.336 -18.141 1.00 0.00 N ATOM 989 CA GLN A 72 3.880 5.367 -19.561 1.00 0.00 C ATOM 990 C GLN A 72 4.249 6.779 -20.003 1.00 0.00 C ATOM 991 O GLN A 72 3.918 7.200 -21.112 1.00 0.00 O ATOM 992 CB GLN A 72 2.704 4.851 -20.391 1.00 0.00 C ATOM 993 CG GLN A 72 3.106 4.343 -21.766 1.00 0.00 C ATOM 994 CD GLN A 72 1.946 3.724 -22.521 1.00 0.00 C ATOM 995 OE1 GLN A 72 1.377 4.341 -23.423 1.00 0.00 O ATOM 996 NE2 GLN A 72 1.589 2.498 -22.158 1.00 0.00 N ATOM 0 H GLN A 72 4.106 4.678 -17.593 1.00 0.00 H new ATOM 0 HA GLN A 72 4.741 4.718 -19.723 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.211 4.047 -19.846 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.974 5.652 -20.508 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.515 5.168 -22.349 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.900 3.604 -21.658 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.088 2.023 -21.405 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.816 2.031 -22.632 1.00 0.00 H new ATOM 1005 N HIS A 73 4.937 7.507 -19.129 1.00 0.00 N ATOM 1006 CA HIS A 73 5.351 8.873 -19.429 1.00 0.00 C ATOM 1007 C HIS A 73 6.765 8.898 -20.002 1.00 0.00 C ATOM 1008 O HIS A 73 6.996 9.428 -21.090 1.00 0.00 O ATOM 1009 CB HIS A 73 5.282 9.738 -18.170 1.00 0.00 C ATOM 1010 CG HIS A 73 5.314 11.209 -18.452 1.00 0.00 C ATOM 1011 ND1 HIS A 73 4.747 11.772 -19.575 1.00 0.00 N ATOM 1012 CD2 HIS A 73 5.848 12.234 -17.747 1.00 0.00 C ATOM 1013 CE1 HIS A 73 4.932 13.080 -19.550 1.00 0.00 C ATOM 1014 NE2 HIS A 73 5.597 13.386 -18.451 1.00 0.00 N ATOM 0 H HIS A 73 5.220 7.174 -18.207 1.00 0.00 H new ATOM 0 HA HIS A 73 4.668 9.278 -20.176 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.368 9.500 -17.625 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.117 9.483 -17.518 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.373 12.160 -16.806 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.596 13.780 -20.301 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.879 14.325 -18.171 1.00 0.00 H new ATOM 1022 N LEU A 74 7.708 8.324 -19.262 1.00 0.00 N ATOM 1023 CA LEU A 74 9.100 8.281 -19.696 1.00 0.00 C ATOM 1024 C LEU A 74 9.448 6.914 -20.276 1.00 0.00 C ATOM 1025 O LEU A 74 10.335 6.795 -21.121 1.00 0.00 O ATOM 1026 CB LEU A 74 10.030 8.602 -18.524 1.00 0.00 C ATOM 1027 CG LEU A 74 10.310 10.085 -18.277 1.00 0.00 C ATOM 1028 CD1 LEU A 74 11.131 10.670 -19.416 1.00 0.00 C ATOM 1029 CD2 LEU A 74 9.008 10.853 -18.106 1.00 0.00 C ATOM 0 H LEU A 74 7.534 7.882 -18.359 1.00 0.00 H new ATOM 0 HA LEU A 74 9.235 9.031 -20.476 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.599 8.178 -17.617 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.981 8.096 -18.691 1.00 0.00 H new ATOM 0 HG LEU A 74 10.886 10.178 -17.356 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.320 11.726 -19.223 1.00 0.00 H new ATOM 0 HD12 LEU A 74 12.080 10.139 -19.491 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.582 10.565 -20.352 1.00 0.00 H new ATOM 0 HD21 LEU A 74 9.227 11.906 -17.931 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.405 10.753 -19.009 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.457 10.451 -17.256 1.00 0.00 H new ATOM 1041 N ALA A 75 8.742 5.886 -19.818 1.00 0.00 N ATOM 1042 CA ALA A 75 8.973 4.528 -20.295 1.00 0.00 C ATOM 1043 C ALA A 75 7.873 3.584 -19.818 1.00 0.00 C ATOM 1044 O ALA A 75 7.126 3.903 -18.894 1.00 0.00 O ATOM 1045 CB ALA A 75 10.334 4.031 -19.832 1.00 0.00 C ATOM 0 H ALA A 75 8.005 5.967 -19.117 1.00 0.00 H new ATOM 0 HA ALA A 75 8.955 4.544 -21.385 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.493 3.016 -20.195 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.113 4.684 -20.226 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.372 4.037 -18.743 1.00 0.00 H new ATOM 1051 N ASN A 76 7.780 2.422 -20.456 1.00 0.00 N ATOM 1052 CA ASN A 76 6.770 1.432 -20.098 1.00 0.00 C ATOM 1053 C ASN A 76 7.355 0.369 -19.173 1.00 0.00 C ATOM 1054 O ASN A 76 6.646 -0.209 -18.349 1.00 0.00 O ATOM 1055 CB ASN A 76 6.203 0.774 -21.357 1.00 0.00 C ATOM 1056 CG ASN A 76 4.850 0.133 -21.114 1.00 0.00 C ATOM 1057 OD1 ASN A 76 4.491 -0.175 -19.977 1.00 0.00 O ATOM 1058 ND2 ASN A 76 4.092 -0.072 -22.185 1.00 0.00 N ATOM 0 H ASN A 76 8.391 2.143 -21.223 1.00 0.00 H new ATOM 0 HA ASN A 76 5.965 1.944 -19.570 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.112 1.522 -22.145 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.902 0.018 -21.715 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.172 -0.501 -22.084 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.430 0.199 -23.108 1.00 0.00 H new ATOM 1065 N ILE A 77 8.652 0.117 -19.316 1.00 0.00 N ATOM 1066 CA ILE A 77 9.332 -0.875 -18.493 1.00 0.00 C ATOM 1067 C ILE A 77 10.617 -0.309 -17.899 1.00 0.00 C ATOM 1068 O ILE A 77 11.036 0.797 -18.239 1.00 0.00 O ATOM 1069 CB ILE A 77 9.668 -2.143 -19.301 1.00 0.00 C ATOM 1070 CG1 ILE A 77 10.611 -1.802 -20.456 1.00 0.00 C ATOM 1071 CG2 ILE A 77 8.394 -2.791 -19.823 1.00 0.00 C ATOM 1072 CD1 ILE A 77 12.075 -1.943 -20.103 1.00 0.00 C ATOM 0 H ILE A 77 9.253 0.586 -19.994 1.00 0.00 H new ATOM 0 HA ILE A 77 8.647 -1.139 -17.687 1.00 0.00 H new ATOM 0 HB ILE A 77 10.170 -2.853 -18.644 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.386 -2.451 -21.302 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.421 -0.779 -20.780 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.648 -3.686 -20.392 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.754 -3.064 -18.984 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.866 -2.088 -20.468 1.00 0.00 H new ATOM 0 HD11 ILE A 77 12.685 -1.685 -20.969 1.00 0.00 H new ATOM 0 HD12 ILE A 77 12.316 -1.274 -19.277 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.281 -2.972 -19.808 1.00 0.00 H new ATOM 1084 N VAL A 78 11.239 -1.076 -17.009 1.00 0.00 N ATOM 1085 CA VAL A 78 12.479 -0.653 -16.369 1.00 0.00 C ATOM 1086 C VAL A 78 13.521 -1.765 -16.401 1.00 0.00 C ATOM 1087 O VAL A 78 13.265 -2.855 -16.913 1.00 0.00 O ATOM 1088 CB VAL A 78 12.240 -0.230 -14.908 1.00 0.00 C ATOM 1089 CG1 VAL A 78 11.227 0.903 -14.839 1.00 0.00 C ATOM 1090 CG2 VAL A 78 11.781 -1.418 -14.077 1.00 0.00 C ATOM 0 H VAL A 78 10.904 -1.994 -16.715 1.00 0.00 H new ATOM 0 HA VAL A 78 12.849 0.204 -16.932 1.00 0.00 H new ATOM 0 HB VAL A 78 13.182 0.131 -14.494 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.071 1.189 -13.799 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.601 1.760 -15.398 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.282 0.573 -15.270 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.617 -1.100 -13.047 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.851 -1.812 -14.488 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.545 -2.195 -14.100 1.00 0.00 H new ATOM 1100 N GLU A 79 14.697 -1.483 -15.849 1.00 0.00 N ATOM 1101 CA GLU A 79 15.779 -2.460 -15.814 1.00 0.00 C ATOM 1102 C GLU A 79 15.348 -3.722 -15.071 1.00 0.00 C ATOM 1103 O GLU A 79 15.974 -4.774 -15.199 1.00 0.00 O ATOM 1104 CB GLU A 79 17.018 -1.860 -15.147 1.00 0.00 C ATOM 1105 CG GLU A 79 16.788 -1.434 -13.707 1.00 0.00 C ATOM 1106 CD GLU A 79 17.871 -0.507 -13.192 1.00 0.00 C ATOM 1107 OE1 GLU A 79 19.049 -0.715 -13.551 1.00 0.00 O ATOM 1108 OE2 GLU A 79 17.542 0.426 -12.430 1.00 0.00 O ATOM 0 H GLU A 79 14.925 -0.586 -15.420 1.00 0.00 H new ATOM 0 HA GLU A 79 16.024 -2.729 -16.841 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.826 -2.591 -15.176 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.349 -0.996 -15.724 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.822 -0.936 -13.630 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.742 -2.320 -13.073 1.00 0.00 H new TER 1115 GLU A 79 HETATM 1116 ZN ZN A 200 4.811 -9.312 -2.428 1.00 0.00 ZN HETATM 1117 ZN ZN A 400 2.946 2.281 3.476 1.00 0.00 ZN