USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 521 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 35 HIS HE2 : A 35 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 401 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= -0.182 USER MOD Single : A 3 SER OG : rot -58:sc= 0.00998 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 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0.0926 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.028 K(o=-0.028,f=-0.92) USER MOD Single : A 21 ASN : amide:sc= -6.11! C(o=-6.1!,f=-12!) USER MOD Single : A 25 MET CE :methyl -140:sc= -2.14 (180deg=-2.98!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.667 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 38 HIS : no HD1:sc= -0.395 X(o=-0.39,f=-0.032) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -115:sc= -0.79 (180deg=-3.05!) USER MOD Single : A 52 CYS SG : rot 17:sc= 0.308 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -1.83 USER MOD Single : A 61 SER OG : rot -97:sc= 0.287 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0996 K(o=-0.1,f=-0.66) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.524 -10.278 -0.586 1.00 0.00 N ATOM 2 CA GLY A 1 8.333 -11.229 0.153 1.00 0.00 C ATOM 3 C GLY A 1 8.979 -12.264 -0.747 1.00 0.00 C ATOM 4 O GLY A 1 9.523 -11.928 -1.800 1.00 0.00 O ATOM 0 H1 GLY A 1 7.105 -9.592 0.074 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.120 -9.776 -1.274 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.766 -10.783 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.109 -10.693 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.711 -11.733 0.893 1.00 0.00 H new ATOM 8 N SER A 2 8.921 -13.525 -0.332 1.00 0.00 N ATOM 9 CA SER A 2 9.510 -14.612 -1.106 1.00 0.00 C ATOM 10 C SER A 2 8.447 -15.628 -1.511 1.00 0.00 C ATOM 11 O SER A 2 8.063 -16.490 -0.720 1.00 0.00 O ATOM 12 CB SER A 2 10.611 -15.303 -0.299 1.00 0.00 C ATOM 13 OG SER A 2 11.384 -14.358 0.421 1.00 0.00 O ATOM 0 H SER A 2 8.472 -13.820 0.535 1.00 0.00 H new ATOM 0 HA SER A 2 9.945 -14.187 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.165 -16.017 0.394 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.256 -15.870 -0.970 1.00 0.00 H new ATOM 0 HG SER A 2 12.080 -14.824 0.930 1.00 0.00 H new ATOM 19 N SER A 3 7.974 -15.520 -2.749 1.00 0.00 N ATOM 20 CA SER A 3 6.952 -16.427 -3.259 1.00 0.00 C ATOM 21 C SER A 3 5.684 -16.346 -2.415 1.00 0.00 C ATOM 22 O SER A 3 5.177 -17.360 -1.938 1.00 0.00 O ATOM 23 CB SER A 3 7.477 -17.864 -3.275 1.00 0.00 C ATOM 24 OG SER A 3 6.683 -18.687 -4.111 1.00 0.00 O ATOM 0 H SER A 3 8.282 -14.814 -3.417 1.00 0.00 H new ATOM 0 HA SER A 3 6.709 -16.125 -4.278 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.509 -17.874 -3.624 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.480 -18.265 -2.261 1.00 0.00 H new ATOM 0 HG SER A 3 5.753 -18.665 -3.804 1.00 0.00 H new ATOM 30 N GLY A 4 5.177 -15.130 -2.235 1.00 0.00 N ATOM 31 CA GLY A 4 3.972 -14.938 -1.449 1.00 0.00 C ATOM 32 C GLY A 4 2.723 -14.879 -2.306 1.00 0.00 C ATOM 33 O GLY A 4 2.541 -15.697 -3.207 1.00 0.00 O ATOM 0 H GLY A 4 5.579 -14.275 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.877 -15.752 -0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.059 -14.015 -0.876 1.00 0.00 H new ATOM 37 N SER A 5 1.860 -13.908 -2.024 1.00 0.00 N ATOM 38 CA SER A 5 0.619 -13.749 -2.773 1.00 0.00 C ATOM 39 C SER A 5 0.321 -12.273 -3.024 1.00 0.00 C ATOM 40 O SER A 5 1.062 -11.396 -2.580 1.00 0.00 O ATOM 41 CB SER A 5 -0.545 -14.393 -2.016 1.00 0.00 C ATOM 42 OG SER A 5 -1.073 -13.509 -1.044 1.00 0.00 O ATOM 0 H SER A 5 1.997 -13.220 -1.283 1.00 0.00 H new ATOM 0 HA SER A 5 0.738 -14.247 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.329 -14.675 -2.719 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.206 -15.309 -1.533 1.00 0.00 H new ATOM 0 HG SER A 5 -1.816 -13.944 -0.576 1.00 0.00 H new ATOM 48 N SER A 6 -0.768 -12.009 -3.738 1.00 0.00 N ATOM 49 CA SER A 6 -1.162 -10.641 -4.052 1.00 0.00 C ATOM 50 C SER A 6 -2.355 -10.211 -3.204 1.00 0.00 C ATOM 51 O SER A 6 -2.976 -11.028 -2.526 1.00 0.00 O ATOM 52 CB SER A 6 -1.507 -10.515 -5.538 1.00 0.00 C ATOM 53 OG SER A 6 -0.748 -11.425 -6.316 1.00 0.00 O ATOM 0 H SER A 6 -1.393 -12.724 -4.110 1.00 0.00 H new ATOM 0 HA SER A 6 -0.321 -9.986 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.570 -10.704 -5.685 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.315 -9.496 -5.874 1.00 0.00 H new ATOM 0 HG SER A 6 -0.988 -11.326 -7.261 1.00 0.00 H new ATOM 59 N GLY A 7 -2.670 -8.920 -3.248 1.00 0.00 N ATOM 60 CA GLY A 7 -3.787 -8.402 -2.479 1.00 0.00 C ATOM 61 C GLY A 7 -5.121 -8.928 -2.969 1.00 0.00 C ATOM 62 O GLY A 7 -5.700 -9.832 -2.365 1.00 0.00 O ATOM 0 H GLY A 7 -2.172 -8.224 -3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.657 -8.670 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.787 -7.313 -2.533 1.00 0.00 H new ATOM 66 N HIS A 8 -5.612 -8.362 -4.066 1.00 0.00 N ATOM 67 CA HIS A 8 -6.888 -8.779 -4.637 1.00 0.00 C ATOM 68 C HIS A 8 -7.970 -8.840 -3.562 1.00 0.00 C ATOM 69 O HIS A 8 -8.938 -9.592 -3.683 1.00 0.00 O ATOM 70 CB HIS A 8 -6.747 -10.143 -5.313 1.00 0.00 C ATOM 71 CG HIS A 8 -6.179 -10.070 -6.697 1.00 0.00 C ATOM 72 ND1 HIS A 8 -4.975 -9.463 -6.985 1.00 0.00 N ATOM 73 CD2 HIS A 8 -6.657 -10.533 -7.875 1.00 0.00 C ATOM 74 CE1 HIS A 8 -4.738 -9.555 -8.281 1.00 0.00 C ATOM 75 NE2 HIS A 8 -5.743 -10.200 -8.845 1.00 0.00 N ATOM 0 H HIS A 8 -5.146 -7.613 -4.578 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.183 -8.041 -5.383 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.108 -10.779 -4.700 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.726 -10.621 -5.356 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.585 -11.065 -8.025 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.869 -9.168 -8.793 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.827 -10.416 -9.838 1.00 0.00 H new ATOM 83 N LEU A 9 -7.798 -8.045 -2.512 1.00 0.00 N ATOM 84 CA LEU A 9 -8.759 -8.010 -1.414 1.00 0.00 C ATOM 85 C LEU A 9 -10.144 -7.611 -1.916 1.00 0.00 C ATOM 86 O LEU A 9 -10.307 -7.220 -3.071 1.00 0.00 O ATOM 87 CB LEU A 9 -8.294 -7.031 -0.335 1.00 0.00 C ATOM 88 CG LEU A 9 -6.846 -7.184 0.132 1.00 0.00 C ATOM 89 CD1 LEU A 9 -6.312 -5.862 0.659 1.00 0.00 C ATOM 90 CD2 LEU A 9 -6.741 -8.267 1.196 1.00 0.00 C ATOM 0 H LEU A 9 -7.003 -7.416 -2.397 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.822 -9.010 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.428 -6.017 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.947 -7.139 0.531 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.238 -7.482 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.280 -5.991 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.351 -5.113 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.921 -5.533 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.704 -8.362 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.362 -7.999 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.082 -9.217 0.784 1.00 0.00 H new ATOM 102 N ASN A 10 -11.137 -7.712 -1.039 1.00 0.00 N ATOM 103 CA ASN A 10 -12.507 -7.361 -1.392 1.00 0.00 C ATOM 104 C ASN A 10 -13.068 -6.321 -0.427 1.00 0.00 C ATOM 105 O ASN A 10 -12.528 -6.110 0.659 1.00 0.00 O ATOM 106 CB ASN A 10 -13.393 -8.608 -1.387 1.00 0.00 C ATOM 107 CG ASN A 10 -12.854 -9.705 -2.284 1.00 0.00 C ATOM 108 OD1 ASN A 10 -12.222 -10.651 -1.815 1.00 0.00 O ATOM 109 ND2 ASN A 10 -13.101 -9.581 -3.583 1.00 0.00 N ATOM 0 H ASN A 10 -11.018 -8.034 -0.079 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.499 -6.934 -2.395 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.479 -8.985 -0.368 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.398 -8.338 -1.712 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -12.762 -10.287 -4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -13.629 -8.779 -3.927 1.00 0.00 H new ATOM 116 N THR A 11 -14.157 -5.672 -0.831 1.00 0.00 N ATOM 117 CA THR A 11 -14.791 -4.654 -0.004 1.00 0.00 C ATOM 118 C THR A 11 -16.215 -5.055 0.366 1.00 0.00 C ATOM 119 O THR A 11 -16.934 -5.642 -0.443 1.00 0.00 O ATOM 120 CB THR A 11 -14.823 -3.290 -0.718 1.00 0.00 C ATOM 121 OG1 THR A 11 -13.533 -2.994 -1.266 1.00 0.00 O ATOM 122 CG2 THR A 11 -15.236 -2.185 0.244 1.00 0.00 C ATOM 0 H THR A 11 -14.617 -5.834 -1.727 1.00 0.00 H new ATOM 0 HA THR A 11 -14.193 -4.567 0.903 1.00 0.00 H new ATOM 0 HB THR A 11 -15.556 -3.343 -1.523 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.562 -2.126 -1.720 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.251 -1.231 -0.283 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.230 -2.398 0.638 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.523 -2.134 1.067 1.00 0.00 H new ATOM 130 N CYS A 12 -16.616 -4.733 1.591 1.00 0.00 N ATOM 131 CA CYS A 12 -17.955 -5.060 2.067 1.00 0.00 C ATOM 132 C CYS A 12 -18.856 -3.829 2.042 1.00 0.00 C ATOM 133 O CYS A 12 -18.385 -2.706 1.865 1.00 0.00 O ATOM 134 CB CYS A 12 -17.889 -5.629 3.485 1.00 0.00 C ATOM 135 SG CYS A 12 -16.759 -4.745 4.585 1.00 0.00 S ATOM 0 H CYS A 12 -16.033 -4.246 2.272 1.00 0.00 H new ATOM 0 HA CYS A 12 -18.378 -5.812 1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -18.889 -5.611 3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -17.583 -6.674 3.432 1.00 0.00 H new ATOM 0 HG CYS A 12 -16.775 -5.300 5.761 1.00 0.00 H new ATOM 141 N SER A 13 -20.155 -4.050 2.218 1.00 0.00 N ATOM 142 CA SER A 13 -21.124 -2.960 2.210 1.00 0.00 C ATOM 143 C SER A 13 -21.949 -2.957 3.493 1.00 0.00 C ATOM 144 O SER A 13 -23.168 -2.791 3.460 1.00 0.00 O ATOM 145 CB SER A 13 -22.048 -3.080 0.996 1.00 0.00 C ATOM 146 OG SER A 13 -21.304 -3.117 -0.209 1.00 0.00 O ATOM 0 H SER A 13 -20.561 -4.974 2.368 1.00 0.00 H new ATOM 0 HA SER A 13 -20.576 -2.020 2.149 1.00 0.00 H new ATOM 0 HB2 SER A 13 -22.652 -3.984 1.082 1.00 0.00 H new ATOM 0 HB3 SER A 13 -22.738 -2.236 0.975 1.00 0.00 H new ATOM 0 HG SER A 13 -21.917 -3.196 -0.970 1.00 0.00 H new ATOM 152 N PHE A 14 -21.274 -3.142 4.623 1.00 0.00 N ATOM 153 CA PHE A 14 -21.944 -3.161 5.919 1.00 0.00 C ATOM 154 C PHE A 14 -21.581 -1.926 6.737 1.00 0.00 C ATOM 155 O PHE A 14 -20.805 -1.081 6.294 1.00 0.00 O ATOM 156 CB PHE A 14 -21.568 -4.427 6.692 1.00 0.00 C ATOM 157 CG PHE A 14 -22.329 -5.646 6.253 1.00 0.00 C ATOM 158 CD1 PHE A 14 -23.683 -5.767 6.521 1.00 0.00 C ATOM 159 CD2 PHE A 14 -21.690 -6.669 5.572 1.00 0.00 C ATOM 160 CE1 PHE A 14 -24.385 -6.887 6.119 1.00 0.00 C ATOM 161 CE2 PHE A 14 -22.387 -7.792 5.167 1.00 0.00 C ATOM 162 CZ PHE A 14 -23.737 -7.901 5.440 1.00 0.00 C ATOM 0 H PHE A 14 -20.264 -3.281 4.668 1.00 0.00 H new ATOM 0 HA PHE A 14 -23.020 -3.156 5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.501 -4.612 6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -21.746 -4.261 7.754 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -24.195 -4.977 7.050 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.635 -6.588 5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -25.440 -6.970 6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.877 -8.583 4.638 1.00 0.00 H new ATOM 0 HZ PHE A 14 -24.284 -8.777 5.123 1.00 0.00 H new ATOM 172 N ASN A 15 -22.150 -1.828 7.934 1.00 0.00 N ATOM 173 CA ASN A 15 -21.889 -0.696 8.815 1.00 0.00 C ATOM 174 C ASN A 15 -20.439 -0.699 9.289 1.00 0.00 C ATOM 175 O ASN A 15 -20.044 -1.529 10.109 1.00 0.00 O ATOM 176 CB ASN A 15 -22.831 -0.732 10.020 1.00 0.00 C ATOM 177 CG ASN A 15 -24.290 -0.792 9.611 1.00 0.00 C ATOM 178 OD1 ASN A 15 -24.642 -0.472 8.475 1.00 0.00 O ATOM 179 ND2 ASN A 15 -25.148 -1.204 10.537 1.00 0.00 N ATOM 0 H ASN A 15 -22.795 -2.519 8.316 1.00 0.00 H new ATOM 0 HA ASN A 15 -22.067 0.220 8.251 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -22.594 -1.598 10.638 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -22.665 0.153 10.634 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -26.143 -1.265 10.320 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -24.812 -1.459 11.466 1.00 0.00 H new ATOM 186 N VAL A 16 -19.649 0.235 8.769 1.00 0.00 N ATOM 187 CA VAL A 16 -18.243 0.341 9.140 1.00 0.00 C ATOM 188 C VAL A 16 -17.828 1.798 9.309 1.00 0.00 C ATOM 189 O VAL A 16 -18.637 2.709 9.130 1.00 0.00 O ATOM 190 CB VAL A 16 -17.333 -0.322 8.089 1.00 0.00 C ATOM 191 CG1 VAL A 16 -17.470 -1.836 8.143 1.00 0.00 C ATOM 192 CG2 VAL A 16 -17.658 0.201 6.698 1.00 0.00 C ATOM 0 H VAL A 16 -19.959 0.929 8.089 1.00 0.00 H new ATOM 0 HA VAL A 16 -18.126 -0.180 10.090 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.298 -0.066 8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.820 -2.287 7.393 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.184 -2.192 9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -18.504 -2.115 7.941 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -17.006 -0.278 5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -18.697 -0.023 6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -17.504 1.280 6.670 1.00 0.00 H new ATOM 202 N ILE A 17 -16.562 2.011 9.653 1.00 0.00 N ATOM 203 CA ILE A 17 -16.039 3.358 9.844 1.00 0.00 C ATOM 204 C ILE A 17 -14.770 3.576 9.027 1.00 0.00 C ATOM 205 O ILE A 17 -14.024 2.642 8.732 1.00 0.00 O ATOM 206 CB ILE A 17 -15.736 3.639 11.327 1.00 0.00 C ATOM 207 CG1 ILE A 17 -15.086 2.417 11.978 1.00 0.00 C ATOM 208 CG2 ILE A 17 -17.010 4.024 12.064 1.00 0.00 C ATOM 209 CD1 ILE A 17 -14.703 2.635 13.425 1.00 0.00 C ATOM 0 H ILE A 17 -15.880 1.268 9.805 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.811 4.048 9.502 1.00 0.00 H new ATOM 0 HB ILE A 17 -15.038 4.474 11.388 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.774 1.574 11.916 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.195 2.145 11.412 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.780 4.220 13.111 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.435 4.920 11.612 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.730 3.208 11.997 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.248 1.727 13.822 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.991 3.457 13.493 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.594 2.877 14.005 1.00 0.00 H new ATOM 221 N PRO A 18 -14.515 4.839 8.655 1.00 0.00 N ATOM 222 CA PRO A 18 -13.335 5.210 7.869 1.00 0.00 C ATOM 223 C PRO A 18 -12.043 5.082 8.669 1.00 0.00 C ATOM 224 O PRO A 18 -12.048 5.179 9.897 1.00 0.00 O ATOM 225 CB PRO A 18 -13.596 6.674 7.506 1.00 0.00 C ATOM 226 CG PRO A 18 -14.505 7.173 8.575 1.00 0.00 C ATOM 227 CD PRO A 18 -15.361 6.002 8.972 1.00 0.00 C ATOM 0 HA PRO A 18 -13.200 4.560 7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.669 7.246 7.476 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.056 6.762 6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.937 7.547 9.427 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.117 7.999 8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.620 6.034 10.030 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.298 5.982 8.415 1.00 0.00 H new ATOM 235 N CYS A 19 -10.936 4.865 7.966 1.00 0.00 N ATOM 236 CA CYS A 19 -9.636 4.724 8.610 1.00 0.00 C ATOM 237 C CYS A 19 -9.149 6.065 9.153 1.00 0.00 C ATOM 238 O CYS A 19 -9.235 7.099 8.490 1.00 0.00 O ATOM 239 CB CYS A 19 -8.613 4.160 7.623 1.00 0.00 C ATOM 240 SG CYS A 19 -6.959 3.890 8.338 1.00 0.00 S ATOM 0 H CYS A 19 -10.914 4.783 6.950 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.746 4.032 9.445 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.986 3.214 7.231 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.525 4.843 6.778 1.00 0.00 H new ATOM 245 N PRO A 20 -8.625 6.049 10.387 1.00 0.00 N ATOM 246 CA PRO A 20 -8.114 7.254 11.046 1.00 0.00 C ATOM 247 C PRO A 20 -6.830 7.766 10.402 1.00 0.00 C ATOM 248 O PRO A 20 -6.479 8.937 10.543 1.00 0.00 O ATOM 249 CB PRO A 20 -7.844 6.788 12.479 1.00 0.00 C ATOM 250 CG PRO A 20 -7.615 5.320 12.363 1.00 0.00 C ATOM 251 CD PRO A 20 -8.492 4.852 11.235 1.00 0.00 C ATOM 0 HA PRO A 20 -8.817 8.084 10.979 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.975 7.292 12.902 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.689 7.007 13.132 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.567 5.104 12.158 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.870 4.811 13.292 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.039 4.023 10.691 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.460 4.506 11.596 1.00 0.00 H new ATOM 259 N ASN A 21 -6.134 6.882 9.696 1.00 0.00 N ATOM 260 CA ASN A 21 -4.889 7.245 9.030 1.00 0.00 C ATOM 261 C ASN A 21 -5.147 8.226 7.891 1.00 0.00 C ATOM 262 O ASN A 21 -4.216 8.817 7.343 1.00 0.00 O ATOM 263 CB ASN A 21 -4.189 5.995 8.493 1.00 0.00 C ATOM 264 CG ASN A 21 -3.787 5.037 9.597 1.00 0.00 C ATOM 265 OD1 ASN A 21 -4.419 4.989 10.653 1.00 0.00 O ATOM 266 ND2 ASN A 21 -2.730 4.269 9.359 1.00 0.00 N ATOM 0 H ASN A 21 -6.411 5.908 9.570 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.243 7.728 9.763 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.851 5.483 7.795 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.302 6.291 7.932 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.412 3.606 10.066 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.236 4.342 8.469 1.00 0.00 H new ATOM 273 N ARG A 22 -6.417 8.395 7.540 1.00 0.00 N ATOM 274 CA ARG A 22 -6.799 9.304 6.465 1.00 0.00 C ATOM 275 C ARG A 22 -6.688 8.618 5.107 1.00 0.00 C ATOM 276 O ARG A 22 -6.553 9.276 4.076 1.00 0.00 O ATOM 277 CB ARG A 22 -5.918 10.555 6.490 1.00 0.00 C ATOM 278 CG ARG A 22 -4.783 10.520 5.479 1.00 0.00 C ATOM 279 CD ARG A 22 -3.551 11.245 6.000 1.00 0.00 C ATOM 280 NE ARG A 22 -3.796 12.671 6.193 1.00 0.00 N ATOM 281 CZ ARG A 22 -2.830 13.567 6.359 1.00 0.00 C ATOM 282 NH1 ARG A 22 -1.560 13.186 6.355 1.00 0.00 N ATOM 283 NH2 ARG A 22 -3.133 14.848 6.529 1.00 0.00 N ATOM 0 H ARG A 22 -7.200 7.915 7.984 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.838 9.595 6.621 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.538 11.430 6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.500 10.675 7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.528 9.485 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.110 10.980 4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.241 10.799 6.945 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.728 11.110 5.299 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.762 12.997 6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.323 12.203 6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.820 13.876 6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.109 15.145 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.390 15.535 6.656 1.00 0.00 H new ATOM 297 N CYS A 23 -6.746 7.290 5.115 1.00 0.00 N ATOM 298 CA CYS A 23 -6.651 6.513 3.885 1.00 0.00 C ATOM 299 C CYS A 23 -8.035 6.080 3.408 1.00 0.00 C ATOM 300 O CYS A 23 -8.917 5.749 4.200 1.00 0.00 O ATOM 301 CB CYS A 23 -5.766 5.284 4.100 1.00 0.00 C ATOM 302 SG CYS A 23 -6.662 3.819 4.706 1.00 0.00 S ATOM 0 H CYS A 23 -6.858 6.730 5.960 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.202 7.145 3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.276 5.033 3.159 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.980 5.536 4.812 1.00 0.00 H new ATOM 307 N PRO A 24 -8.230 6.080 2.081 1.00 0.00 N ATOM 308 CA PRO A 24 -9.502 5.688 1.467 1.00 0.00 C ATOM 309 C PRO A 24 -9.778 4.195 1.606 1.00 0.00 C ATOM 310 O PRO A 24 -9.845 3.472 0.613 1.00 0.00 O ATOM 311 CB PRO A 24 -9.317 6.063 -0.005 1.00 0.00 C ATOM 312 CG PRO A 24 -7.843 6.027 -0.222 1.00 0.00 C ATOM 313 CD PRO A 24 -7.222 6.461 1.077 1.00 0.00 C ATOM 0 HA PRO A 24 -10.351 6.179 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.831 5.360 -0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.724 7.052 -0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.513 5.025 -0.496 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.552 6.692 -1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.270 5.961 1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.027 7.533 1.091 1.00 0.00 H new ATOM 321 N MET A 25 -9.937 3.740 2.845 1.00 0.00 N ATOM 322 CA MET A 25 -10.207 2.332 3.113 1.00 0.00 C ATOM 323 C MET A 25 -10.884 2.157 4.468 1.00 0.00 C ATOM 324 O MET A 25 -10.390 2.640 5.488 1.00 0.00 O ATOM 325 CB MET A 25 -8.908 1.525 3.070 1.00 0.00 C ATOM 326 CG MET A 25 -8.663 0.838 1.736 1.00 0.00 C ATOM 327 SD MET A 25 -9.270 -0.860 1.706 1.00 0.00 S ATOM 328 CE MET A 25 -8.473 -1.529 3.164 1.00 0.00 C ATOM 0 H MET A 25 -9.884 4.325 3.679 1.00 0.00 H new ATOM 0 HA MET A 25 -10.881 1.963 2.340 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.071 2.188 3.287 1.00 0.00 H new ATOM 0 HB3 MET A 25 -8.931 0.772 3.858 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.149 1.407 0.944 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.594 0.841 1.521 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.128 -2.542 2.958 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.621 -0.904 3.432 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.184 -1.549 3.990 1.00 0.00 H new ATOM 338 N LYS A 26 -12.017 1.463 4.473 1.00 0.00 N ATOM 339 CA LYS A 26 -12.762 1.223 5.704 1.00 0.00 C ATOM 340 C LYS A 26 -12.763 -0.261 6.058 1.00 0.00 C ATOM 341 O LYS A 26 -12.848 -1.119 5.178 1.00 0.00 O ATOM 342 CB LYS A 26 -14.200 1.725 5.559 1.00 0.00 C ATOM 343 CG LYS A 26 -14.311 3.051 4.827 1.00 0.00 C ATOM 344 CD LYS A 26 -15.472 3.881 5.350 1.00 0.00 C ATOM 345 CE LYS A 26 -15.449 5.291 4.781 1.00 0.00 C ATOM 346 NZ LYS A 26 -16.044 5.349 3.417 1.00 0.00 N ATOM 0 H LYS A 26 -12.440 1.057 3.638 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.272 1.770 6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.785 0.976 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.641 1.829 6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.382 3.610 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.444 2.869 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.413 3.397 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.428 3.926 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.997 5.959 5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.421 5.651 4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.009 6.327 3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.506 4.731 2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.033 5.030 3.456 1.00 0.00 H new ATOM 360 N LEU A 27 -12.670 -0.556 7.349 1.00 0.00 N ATOM 361 CA LEU A 27 -12.662 -1.937 7.820 1.00 0.00 C ATOM 362 C LEU A 27 -13.792 -2.179 8.817 1.00 0.00 C ATOM 363 O LEU A 27 -14.757 -2.881 8.517 1.00 0.00 O ATOM 364 CB LEU A 27 -11.316 -2.268 8.467 1.00 0.00 C ATOM 365 CG LEU A 27 -10.105 -1.511 7.922 1.00 0.00 C ATOM 366 CD1 LEU A 27 -10.145 -1.464 6.402 1.00 0.00 C ATOM 367 CD2 LEU A 27 -10.052 -0.104 8.500 1.00 0.00 C ATOM 0 H LEU A 27 -12.599 0.142 8.089 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.815 -2.589 6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.391 -2.071 9.536 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.133 -3.336 8.352 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.202 -2.041 8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.275 -0.921 6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.135 -2.480 6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.054 -0.957 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.184 0.421 8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.959 0.436 8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.975 -0.159 9.586 1.00 0.00 H new ATOM 379 N SER A 28 -13.664 -1.591 10.002 1.00 0.00 N ATOM 380 CA SER A 28 -14.673 -1.745 11.044 1.00 0.00 C ATOM 381 C SER A 28 -14.115 -1.340 12.404 1.00 0.00 C ATOM 382 O SER A 28 -12.927 -1.046 12.538 1.00 0.00 O ATOM 383 CB SER A 28 -15.170 -3.191 11.093 1.00 0.00 C ATOM 384 OG SER A 28 -15.742 -3.491 12.354 1.00 0.00 O ATOM 0 H SER A 28 -12.872 -1.004 10.265 1.00 0.00 H new ATOM 0 HA SER A 28 -15.510 -1.089 10.805 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.909 -3.352 10.308 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.341 -3.871 10.895 1.00 0.00 H new ATOM 0 HG SER A 28 -16.053 -4.420 12.359 1.00 0.00 H new ATOM 390 N ARG A 29 -14.981 -1.328 13.412 1.00 0.00 N ATOM 391 CA ARG A 29 -14.576 -0.958 14.763 1.00 0.00 C ATOM 392 C ARG A 29 -13.861 -2.117 15.452 1.00 0.00 C ATOM 393 O ARG A 29 -13.613 -2.078 16.658 1.00 0.00 O ATOM 394 CB ARG A 29 -15.794 -0.535 15.586 1.00 0.00 C ATOM 395 CG ARG A 29 -16.324 0.843 15.224 1.00 0.00 C ATOM 396 CD ARG A 29 -17.722 1.066 15.781 1.00 0.00 C ATOM 397 NE ARG A 29 -18.759 0.686 14.825 1.00 0.00 N ATOM 398 CZ ARG A 29 -20.050 0.943 15.001 1.00 0.00 C ATOM 399 NH1 ARG A 29 -20.461 1.578 16.090 1.00 0.00 N ATOM 400 NH2 ARG A 29 -20.934 0.565 14.086 1.00 0.00 N ATOM 0 H ARG A 29 -15.967 -1.570 13.319 1.00 0.00 H new ATOM 0 HA ARG A 29 -13.885 -0.118 14.691 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.588 -1.269 15.447 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.530 -0.547 16.643 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.650 1.607 15.612 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.341 0.954 14.140 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -17.844 0.488 16.697 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -17.843 2.116 16.048 1.00 0.00 H new ATOM 0 HE ARG A 29 -18.476 0.197 13.976 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -19.785 1.871 16.795 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -21.453 1.774 16.222 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -20.622 0.077 13.247 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -21.925 0.763 14.222 1.00 0.00 H new ATOM 414 N ARG A 30 -13.533 -3.147 14.679 1.00 0.00 N ATOM 415 CA ARG A 30 -12.849 -4.317 15.216 1.00 0.00 C ATOM 416 C ARG A 30 -11.497 -4.516 14.535 1.00 0.00 C ATOM 417 O ARG A 30 -10.487 -4.752 15.197 1.00 0.00 O ATOM 418 CB ARG A 30 -13.712 -5.567 15.034 1.00 0.00 C ATOM 419 CG ARG A 30 -13.411 -6.666 16.040 1.00 0.00 C ATOM 420 CD ARG A 30 -14.229 -7.917 15.758 1.00 0.00 C ATOM 421 NE ARG A 30 -13.608 -8.759 14.738 1.00 0.00 N ATOM 422 CZ ARG A 30 -14.000 -9.999 14.471 1.00 0.00 C ATOM 423 NH1 ARG A 30 -15.007 -10.540 15.143 1.00 0.00 N ATOM 424 NH2 ARG A 30 -13.386 -10.701 13.527 1.00 0.00 N ATOM 0 H ARG A 30 -13.730 -3.195 13.679 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.680 -4.152 16.280 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.763 -5.288 15.117 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.564 -5.957 14.027 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.349 -6.909 16.008 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.626 -6.308 17.047 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.346 -8.489 16.678 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -15.229 -7.630 15.432 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.831 -8.373 14.202 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.483 -10.003 15.868 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.305 -11.493 14.935 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.612 -10.288 13.006 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.688 -11.654 13.322 1.00 0.00 H new ATOM 438 N ASP A 31 -11.488 -4.419 13.210 1.00 0.00 N ATOM 439 CA ASP A 31 -10.261 -4.587 12.440 1.00 0.00 C ATOM 440 C ASP A 31 -9.553 -3.250 12.246 1.00 0.00 C ATOM 441 O ASP A 31 -8.600 -3.146 11.473 1.00 0.00 O ATOM 442 CB ASP A 31 -10.570 -5.217 11.081 1.00 0.00 C ATOM 443 CG ASP A 31 -11.060 -6.646 11.202 1.00 0.00 C ATOM 444 OD1 ASP A 31 -11.772 -6.947 12.183 1.00 0.00 O ATOM 445 OD2 ASP A 31 -10.732 -7.464 10.317 1.00 0.00 O ATOM 0 H ASP A 31 -12.316 -4.225 12.647 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.599 -5.250 12.997 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.325 -4.619 10.570 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.673 -5.195 10.462 1.00 0.00 H new ATOM 450 N LEU A 32 -10.025 -2.229 12.953 1.00 0.00 N ATOM 451 CA LEU A 32 -9.438 -0.897 12.859 1.00 0.00 C ATOM 452 C LEU A 32 -7.992 -0.904 13.344 1.00 0.00 C ATOM 453 O LEU A 32 -7.083 -0.419 12.669 1.00 0.00 O ATOM 454 CB LEU A 32 -10.258 0.102 13.677 1.00 0.00 C ATOM 455 CG LEU A 32 -10.303 1.533 13.139 1.00 0.00 C ATOM 456 CD1 LEU A 32 -10.554 1.532 11.639 1.00 0.00 C ATOM 457 CD2 LEU A 32 -11.372 2.341 13.861 1.00 0.00 C ATOM 0 H LEU A 32 -10.812 -2.298 13.598 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.449 -0.595 11.812 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.280 -0.270 13.749 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.856 0.128 14.690 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.336 2.001 13.324 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.583 2.559 11.274 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.753 0.991 11.136 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.507 1.046 11.430 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.390 3.356 13.465 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.345 1.875 13.708 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.147 2.371 14.927 1.00 0.00 H new ATOM 469 N PRO A 33 -7.771 -1.468 14.540 1.00 0.00 N ATOM 470 CA PRO A 33 -6.437 -1.554 15.141 1.00 0.00 C ATOM 471 C PRO A 33 -5.531 -2.534 14.403 1.00 0.00 C ATOM 472 O PRO A 33 -4.308 -2.470 14.518 1.00 0.00 O ATOM 473 CB PRO A 33 -6.719 -2.052 16.561 1.00 0.00 C ATOM 474 CG PRO A 33 -8.014 -2.781 16.457 1.00 0.00 C ATOM 475 CD PRO A 33 -8.808 -2.065 15.399 1.00 0.00 C ATOM 0 HA PRO A 33 -5.912 -0.600 15.106 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.923 -2.707 16.916 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.787 -1.223 17.265 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.854 -3.824 16.186 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.542 -2.777 17.411 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.445 -2.751 14.842 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.459 -1.305 15.831 1.00 0.00 H new ATOM 483 N ALA A 34 -6.140 -3.440 13.645 1.00 0.00 N ATOM 484 CA ALA A 34 -5.388 -4.431 12.886 1.00 0.00 C ATOM 485 C ALA A 34 -5.181 -3.978 11.445 1.00 0.00 C ATOM 486 O ALA A 34 -4.674 -4.732 10.614 1.00 0.00 O ATOM 487 CB ALA A 34 -6.101 -5.775 12.922 1.00 0.00 C ATOM 0 H ALA A 34 -7.152 -3.508 13.540 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.407 -4.540 13.349 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.528 -6.506 12.351 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.191 -6.111 13.955 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.095 -5.672 12.486 1.00 0.00 H new ATOM 493 N HIS A 35 -5.578 -2.743 11.155 1.00 0.00 N ATOM 494 CA HIS A 35 -5.436 -2.190 9.813 1.00 0.00 C ATOM 495 C HIS A 35 -4.302 -1.170 9.763 1.00 0.00 C ATOM 496 O HIS A 35 -3.534 -1.126 8.800 1.00 0.00 O ATOM 497 CB HIS A 35 -6.744 -1.537 9.366 1.00 0.00 C ATOM 498 CG HIS A 35 -6.615 -0.739 8.105 1.00 0.00 C ATOM 499 ND1 HIS A 35 -6.581 -1.312 6.852 1.00 0.00 N ATOM 500 CD2 HIS A 35 -6.514 0.597 7.909 1.00 0.00 C ATOM 501 CE1 HIS A 35 -6.463 -0.364 5.939 1.00 0.00 C ATOM 502 NE2 HIS A 35 -6.420 0.804 6.555 1.00 0.00 N ATOM 0 H HIS A 35 -6.000 -2.107 11.831 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.196 -3.008 9.134 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.496 -2.312 9.220 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.107 -0.887 10.162 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.638 -2.312 6.659 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.508 1.358 8.675 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.411 -0.518 4.871 1.00 0.00 H new ATOM 510 N LEU A 36 -4.202 -0.352 10.804 1.00 0.00 N ATOM 511 CA LEU A 36 -3.162 0.668 10.879 1.00 0.00 C ATOM 512 C LEU A 36 -1.818 0.050 11.249 1.00 0.00 C ATOM 513 O LEU A 36 -0.798 0.738 11.291 1.00 0.00 O ATOM 514 CB LEU A 36 -3.543 1.739 11.903 1.00 0.00 C ATOM 515 CG LEU A 36 -5.040 1.991 12.086 1.00 0.00 C ATOM 516 CD1 LEU A 36 -5.275 3.104 13.095 1.00 0.00 C ATOM 517 CD2 LEU A 36 -5.690 2.332 10.753 1.00 0.00 C ATOM 0 H LEU A 36 -4.829 -0.375 11.608 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.070 1.130 9.896 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.122 1.457 12.868 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.070 2.677 11.611 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.498 1.079 12.469 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.346 3.269 13.212 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.844 2.821 14.056 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.803 4.021 12.742 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.755 2.508 10.902 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.228 3.229 10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.553 1.503 10.059 1.00 0.00 H new ATOM 529 N GLN A 37 -1.825 -1.253 11.514 1.00 0.00 N ATOM 530 CA GLN A 37 -0.605 -1.964 11.879 1.00 0.00 C ATOM 531 C GLN A 37 0.166 -2.394 10.636 1.00 0.00 C ATOM 532 O GLN A 37 1.298 -1.961 10.414 1.00 0.00 O ATOM 533 CB GLN A 37 -0.940 -3.187 12.735 1.00 0.00 C ATOM 534 CG GLN A 37 0.225 -4.150 12.901 1.00 0.00 C ATOM 535 CD GLN A 37 -0.094 -5.295 13.842 1.00 0.00 C ATOM 536 OE1 GLN A 37 -1.224 -5.429 14.313 1.00 0.00 O ATOM 537 NE2 GLN A 37 0.902 -6.128 14.120 1.00 0.00 N ATOM 0 H GLN A 37 -2.661 -1.837 11.483 1.00 0.00 H new ATOM 0 HA GLN A 37 0.023 -1.286 12.457 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.268 -2.853 13.719 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.778 -3.718 12.283 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.501 -4.552 11.926 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.091 -3.605 13.278 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.822 -5.978 13.707 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.747 -6.918 14.747 1.00 0.00 H new ATOM 546 N HIS A 38 -0.452 -3.249 9.828 1.00 0.00 N ATOM 547 CA HIS A 38 0.177 -3.739 8.606 1.00 0.00 C ATOM 548 C HIS A 38 -0.866 -3.990 7.521 1.00 0.00 C ATOM 549 O HIS A 38 -0.675 -4.837 6.648 1.00 0.00 O ATOM 550 CB HIS A 38 0.957 -5.023 8.888 1.00 0.00 C ATOM 551 CG HIS A 38 0.090 -6.173 9.299 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.230 -7.443 8.782 1.00 0.00 N ATOM 553 CD2 HIS A 38 -0.932 -6.239 10.184 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.670 -8.241 9.330 1.00 0.00 C ATOM 555 NE2 HIS A 38 -1.387 -7.534 10.185 1.00 0.00 N ATOM 0 H HIS A 38 -1.388 -3.617 9.997 1.00 0.00 H new ATOM 0 HA HIS A 38 0.868 -2.975 8.251 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.517 -5.302 7.995 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.687 -4.830 9.674 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.318 -5.424 10.779 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.797 -9.292 9.115 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.154 -7.892 10.754 1.00 0.00 H new ATOM 563 N ASP A 39 -1.967 -3.251 7.583 1.00 0.00 N ATOM 564 CA ASP A 39 -3.040 -3.394 6.606 1.00 0.00 C ATOM 565 C ASP A 39 -3.480 -2.032 6.078 1.00 0.00 C ATOM 566 O ASP A 39 -4.467 -1.925 5.350 1.00 0.00 O ATOM 567 CB ASP A 39 -4.232 -4.122 7.229 1.00 0.00 C ATOM 568 CG ASP A 39 -4.554 -5.421 6.517 1.00 0.00 C ATOM 569 OD1 ASP A 39 -3.957 -6.458 6.875 1.00 0.00 O ATOM 570 OD2 ASP A 39 -5.403 -5.401 5.601 1.00 0.00 O ATOM 0 H ASP A 39 -2.141 -2.546 8.300 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.661 -3.982 5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.020 -4.329 8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.106 -3.471 7.203 1.00 0.00 H new ATOM 575 N CYS A 40 -2.741 -0.992 6.452 1.00 0.00 N ATOM 576 CA CYS A 40 -3.054 0.364 6.018 1.00 0.00 C ATOM 577 C CYS A 40 -2.078 0.830 4.942 1.00 0.00 C ATOM 578 O CYS A 40 -0.860 0.717 5.083 1.00 0.00 O ATOM 579 CB CYS A 40 -3.015 1.325 7.208 1.00 0.00 C ATOM 580 SG CYS A 40 -3.540 3.023 6.811 1.00 0.00 S ATOM 0 H CYS A 40 -1.921 -1.063 7.055 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.059 0.360 5.595 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.656 0.934 7.998 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.000 1.353 7.605 1.00 0.00 H new ATOM 585 N PRO A 41 -2.623 1.368 3.841 1.00 0.00 N ATOM 586 CA PRO A 41 -1.819 1.863 2.720 1.00 0.00 C ATOM 587 C PRO A 41 -1.047 3.129 3.074 1.00 0.00 C ATOM 588 O PRO A 41 0.155 3.227 2.827 1.00 0.00 O ATOM 589 CB PRO A 41 -2.861 2.157 1.638 1.00 0.00 C ATOM 590 CG PRO A 41 -4.123 2.414 2.387 1.00 0.00 C ATOM 591 CD PRO A 41 -4.067 1.534 3.605 1.00 0.00 C ATOM 0 HA PRO A 41 -1.059 1.143 2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.575 3.020 1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.971 1.315 0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.204 3.464 2.667 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.994 2.180 1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.563 1.997 4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.558 0.577 3.432 1.00 0.00 H new ATOM 599 N LYS A 42 -1.746 4.099 3.656 1.00 0.00 N ATOM 600 CA LYS A 42 -1.127 5.359 4.047 1.00 0.00 C ATOM 601 C LYS A 42 -0.447 5.233 5.407 1.00 0.00 C ATOM 602 O LYS A 42 -0.240 6.228 6.103 1.00 0.00 O ATOM 603 CB LYS A 42 -2.175 6.474 4.091 1.00 0.00 C ATOM 604 CG LYS A 42 -3.018 6.565 2.831 1.00 0.00 C ATOM 605 CD LYS A 42 -2.385 7.486 1.802 1.00 0.00 C ATOM 606 CE LYS A 42 -3.208 7.542 0.523 1.00 0.00 C ATOM 607 NZ LYS A 42 -2.400 8.015 -0.635 1.00 0.00 N ATOM 0 H LYS A 42 -2.742 4.035 3.867 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.370 5.609 3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.831 6.311 4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.672 7.428 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.142 5.570 2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.014 6.930 3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.290 8.489 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.377 7.139 1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.610 6.552 0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.060 8.207 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.996 8.039 -1.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.037 8.970 -0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.602 7.367 -0.789 1.00 0.00 H new ATOM 621 N ARG A 43 -0.101 4.005 5.779 1.00 0.00 N ATOM 622 CA ARG A 43 0.556 3.749 7.055 1.00 0.00 C ATOM 623 C ARG A 43 1.782 4.642 7.224 1.00 0.00 C ATOM 624 O ARG A 43 2.238 4.882 8.342 1.00 0.00 O ATOM 625 CB ARG A 43 0.964 2.279 7.157 1.00 0.00 C ATOM 626 CG ARG A 43 1.712 1.768 5.937 1.00 0.00 C ATOM 627 CD ARG A 43 1.668 0.250 5.851 1.00 0.00 C ATOM 628 NE ARG A 43 2.817 -0.369 6.506 1.00 0.00 N ATOM 629 CZ ARG A 43 2.875 -0.616 7.810 1.00 0.00 C ATOM 630 NH1 ARG A 43 1.853 -0.299 8.594 1.00 0.00 N ATOM 631 NH2 ARG A 43 3.955 -1.182 8.332 1.00 0.00 N ATOM 0 H ARG A 43 -0.265 3.171 5.215 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.151 3.978 7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.590 2.145 8.039 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.071 1.672 7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.275 2.197 5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.749 2.101 5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.749 -0.113 6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.641 -0.053 4.804 1.00 0.00 H new ATOM 0 HE ARG A 43 3.619 -0.626 5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.020 0.135 8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.900 -0.490 9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.742 -1.428 7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.998 -1.371 9.333 1.00 0.00 H new ATOM 645 N ARG A 44 2.311 5.129 6.106 1.00 0.00 N ATOM 646 CA ARG A 44 3.485 5.993 6.130 1.00 0.00 C ATOM 647 C ARG A 44 4.708 5.234 6.639 1.00 0.00 C ATOM 648 O ARG A 44 5.245 5.543 7.703 1.00 0.00 O ATOM 649 CB ARG A 44 3.227 7.216 7.012 1.00 0.00 C ATOM 650 CG ARG A 44 2.822 8.455 6.231 1.00 0.00 C ATOM 651 CD ARG A 44 1.313 8.543 6.068 1.00 0.00 C ATOM 652 NE ARG A 44 0.609 8.229 7.308 1.00 0.00 N ATOM 653 CZ ARG A 44 0.373 9.119 8.265 1.00 0.00 C ATOM 654 NH1 ARG A 44 0.782 10.373 8.124 1.00 0.00 N ATOM 655 NH2 ARG A 44 -0.274 8.757 9.366 1.00 0.00 N ATOM 0 H ARG A 44 1.945 4.940 5.173 1.00 0.00 H new ATOM 0 HA ARG A 44 3.682 6.324 5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.442 6.977 7.730 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.127 7.436 7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.186 9.345 6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.295 8.438 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.042 9.547 5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.992 7.856 5.285 1.00 0.00 H new ATOM 0 HE ARG A 44 0.280 7.273 7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.279 10.655 7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.600 11.055 8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.591 7.794 9.478 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.454 9.442 10.100 1.00 0.00 H new ATOM 669 N LEU A 45 5.142 4.241 5.872 1.00 0.00 N ATOM 670 CA LEU A 45 6.301 3.437 6.244 1.00 0.00 C ATOM 671 C LEU A 45 7.097 3.024 5.010 1.00 0.00 C ATOM 672 O LEU A 45 6.697 2.122 4.273 1.00 0.00 O ATOM 673 CB LEU A 45 5.858 2.195 7.019 1.00 0.00 C ATOM 674 CG LEU A 45 5.768 2.347 8.538 1.00 0.00 C ATOM 675 CD1 LEU A 45 5.254 1.065 9.173 1.00 0.00 C ATOM 676 CD2 LEU A 45 7.123 2.725 9.117 1.00 0.00 C ATOM 0 H LEU A 45 4.709 3.973 4.988 1.00 0.00 H new ATOM 0 HA LEU A 45 6.944 4.045 6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.881 1.888 6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.553 1.385 6.796 1.00 0.00 H new ATOM 0 HG LEU A 45 5.063 3.147 8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.197 1.192 10.254 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.263 0.837 8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.934 0.245 8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.040 2.829 10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.849 1.947 8.882 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.452 3.670 8.686 1.00 0.00 H new ATOM 688 N LYS A 46 8.227 3.687 4.791 1.00 0.00 N ATOM 689 CA LYS A 46 9.082 3.388 3.649 1.00 0.00 C ATOM 690 C LYS A 46 10.282 2.547 4.073 1.00 0.00 C ATOM 691 O LYS A 46 10.643 2.511 5.250 1.00 0.00 O ATOM 692 CB LYS A 46 9.561 4.683 2.991 1.00 0.00 C ATOM 693 CG LYS A 46 9.738 4.572 1.486 1.00 0.00 C ATOM 694 CD LYS A 46 8.464 4.944 0.746 1.00 0.00 C ATOM 695 CE LYS A 46 8.742 5.262 -0.716 1.00 0.00 C ATOM 696 NZ LYS A 46 7.539 5.048 -1.567 1.00 0.00 N ATOM 0 H LYS A 46 8.572 4.436 5.391 1.00 0.00 H new ATOM 0 HA LYS A 46 8.496 2.817 2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.845 5.476 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.510 4.979 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.550 5.225 1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.026 3.553 1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.751 4.123 0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.002 5.807 1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.072 6.297 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.558 4.635 -1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.720 4.272 -2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.727 4.803 -0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.328 5.919 -2.095 1.00 0.00 H new ATOM 710 N CYS A 47 10.897 1.873 3.107 1.00 0.00 N ATOM 711 CA CYS A 47 12.057 1.033 3.380 1.00 0.00 C ATOM 712 C CYS A 47 13.349 1.839 3.275 1.00 0.00 C ATOM 713 O CYS A 47 13.744 2.257 2.187 1.00 0.00 O ATOM 714 CB CYS A 47 12.099 -0.147 2.407 1.00 0.00 C ATOM 715 SG CYS A 47 13.438 -1.337 2.738 1.00 0.00 S ATOM 0 H CYS A 47 10.611 1.892 2.128 1.00 0.00 H new ATOM 0 HA CYS A 47 11.968 0.653 4.398 1.00 0.00 H new ATOM 0 HB2 CYS A 47 11.144 -0.671 2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 47 12.211 0.236 1.393 1.00 0.00 H new ATOM 720 N GLU A 48 14.002 2.051 4.413 1.00 0.00 N ATOM 721 CA GLU A 48 15.248 2.807 4.449 1.00 0.00 C ATOM 722 C GLU A 48 16.314 2.140 3.584 1.00 0.00 C ATOM 723 O GLU A 48 17.373 2.714 3.331 1.00 0.00 O ATOM 724 CB GLU A 48 15.751 2.937 5.888 1.00 0.00 C ATOM 725 CG GLU A 48 14.643 2.893 6.926 1.00 0.00 C ATOM 726 CD GLU A 48 14.361 1.487 7.419 1.00 0.00 C ATOM 727 OE1 GLU A 48 15.032 1.049 8.377 1.00 0.00 O ATOM 728 OE2 GLU A 48 13.469 0.825 6.848 1.00 0.00 O ATOM 0 H GLU A 48 13.689 1.710 5.322 1.00 0.00 H new ATOM 0 HA GLU A 48 15.051 3.802 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.459 2.133 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.296 3.875 5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.918 3.522 7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.733 3.313 6.498 1.00 0.00 H new ATOM 735 N PHE A 49 16.026 0.923 3.134 1.00 0.00 N ATOM 736 CA PHE A 49 16.959 0.176 2.300 1.00 0.00 C ATOM 737 C PHE A 49 16.765 0.518 0.825 1.00 0.00 C ATOM 738 O PHE A 49 17.641 1.107 0.192 1.00 0.00 O ATOM 739 CB PHE A 49 16.777 -1.328 2.514 1.00 0.00 C ATOM 740 CG PHE A 49 16.320 -1.685 3.899 1.00 0.00 C ATOM 741 CD1 PHE A 49 16.637 -0.876 4.978 1.00 0.00 C ATOM 742 CD2 PHE A 49 15.572 -2.830 4.123 1.00 0.00 C ATOM 743 CE1 PHE A 49 16.219 -1.202 6.254 1.00 0.00 C ATOM 744 CE2 PHE A 49 15.150 -3.161 5.397 1.00 0.00 C ATOM 745 CZ PHE A 49 15.473 -2.346 6.464 1.00 0.00 C ATOM 0 H PHE A 49 15.154 0.434 3.333 1.00 0.00 H new ATOM 0 HA PHE A 49 17.971 0.457 2.590 1.00 0.00 H new ATOM 0 HB2 PHE A 49 16.052 -1.704 1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 49 17.721 -1.833 2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 49 17.218 0.021 4.820 1.00 0.00 H new ATOM 0 HD2 PHE A 49 15.316 -3.471 3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 49 16.475 -0.563 7.086 1.00 0.00 H new ATOM 0 HE2 PHE A 49 14.568 -4.056 5.558 1.00 0.00 H new ATOM 0 HZ PHE A 49 15.143 -2.602 7.460 1.00 0.00 H new ATOM 755 N CYS A 50 15.609 0.145 0.285 1.00 0.00 N ATOM 756 CA CYS A 50 15.298 0.410 -1.114 1.00 0.00 C ATOM 757 C CYS A 50 14.550 1.732 -1.264 1.00 0.00 C ATOM 758 O CYS A 50 14.827 2.515 -2.172 1.00 0.00 O ATOM 759 CB CYS A 50 14.461 -0.730 -1.697 1.00 0.00 C ATOM 760 SG CYS A 50 12.871 -0.996 -0.848 1.00 0.00 S ATOM 0 H CYS A 50 14.872 -0.342 0.796 1.00 0.00 H new ATOM 0 HA CYS A 50 16.238 0.479 -1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.268 -0.523 -2.750 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.042 -1.651 -1.654 1.00 0.00 H new ATOM 765 N GLY A 51 13.601 1.974 -0.365 1.00 0.00 N ATOM 766 CA GLY A 51 12.828 3.201 -0.414 1.00 0.00 C ATOM 767 C GLY A 51 11.517 3.032 -1.156 1.00 0.00 C ATOM 768 O GLY A 51 11.250 3.740 -2.128 1.00 0.00 O ATOM 0 H GLY A 51 13.354 1.342 0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.626 3.540 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.418 3.979 -0.898 1.00 0.00 H new ATOM 772 N CYS A 52 10.698 2.091 -0.700 1.00 0.00 N ATOM 773 CA CYS A 52 9.408 1.829 -1.329 1.00 0.00 C ATOM 774 C CYS A 52 8.369 1.421 -0.290 1.00 0.00 C ATOM 775 O CYS A 52 8.563 0.456 0.451 1.00 0.00 O ATOM 776 CB CYS A 52 9.547 0.733 -2.387 1.00 0.00 C ATOM 777 SG CYS A 52 10.338 1.281 -3.918 1.00 0.00 S ATOM 0 H CYS A 52 10.904 1.497 0.103 1.00 0.00 H new ATOM 0 HA CYS A 52 9.072 2.748 -1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.124 -0.091 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.557 0.342 -2.622 1.00 0.00 H new ATOM 0 HG CYS A 52 10.961 2.402 -3.707 1.00 0.00 H new ATOM 783 N ASP A 53 7.268 2.162 -0.239 1.00 0.00 N ATOM 784 CA ASP A 53 6.198 1.878 0.710 1.00 0.00 C ATOM 785 C ASP A 53 6.060 0.376 0.940 1.00 0.00 C ATOM 786 O ASP A 53 6.184 -0.419 0.008 1.00 0.00 O ATOM 787 CB ASP A 53 4.874 2.452 0.205 1.00 0.00 C ATOM 788 CG ASP A 53 4.596 2.084 -1.239 1.00 0.00 C ATOM 789 OD1 ASP A 53 5.270 2.637 -2.133 1.00 0.00 O ATOM 790 OD2 ASP A 53 3.703 1.243 -1.476 1.00 0.00 O ATOM 0 H ASP A 53 7.093 2.964 -0.844 1.00 0.00 H new ATOM 0 HA ASP A 53 6.452 2.351 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.061 2.088 0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.891 3.537 0.303 1.00 0.00 H new ATOM 795 N PHE A 54 5.804 -0.005 2.187 1.00 0.00 N ATOM 796 CA PHE A 54 5.652 -1.412 2.540 1.00 0.00 C ATOM 797 C PHE A 54 4.677 -1.578 3.703 1.00 0.00 C ATOM 798 O PHE A 54 4.133 -0.600 4.215 1.00 0.00 O ATOM 799 CB PHE A 54 7.008 -2.018 2.907 1.00 0.00 C ATOM 800 CG PHE A 54 7.764 -2.555 1.725 1.00 0.00 C ATOM 801 CD1 PHE A 54 7.300 -3.663 1.035 1.00 0.00 C ATOM 802 CD2 PHE A 54 8.938 -1.951 1.304 1.00 0.00 C ATOM 803 CE1 PHE A 54 7.994 -4.159 -0.052 1.00 0.00 C ATOM 804 CE2 PHE A 54 9.636 -2.442 0.217 1.00 0.00 C ATOM 805 CZ PHE A 54 9.163 -3.548 -0.463 1.00 0.00 C ATOM 0 H PHE A 54 5.697 0.640 2.970 1.00 0.00 H new ATOM 0 HA PHE A 54 5.250 -1.937 1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.614 -1.259 3.402 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.855 -2.823 3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.386 -4.144 1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.312 -1.086 1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.623 -5.025 -0.580 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.550 -1.962 -0.101 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.706 -3.934 -1.313 1.00 0.00 H new ATOM 815 N SER A 55 4.462 -2.824 4.113 1.00 0.00 N ATOM 816 CA SER A 55 3.550 -3.120 5.212 1.00 0.00 C ATOM 817 C SER A 55 4.317 -3.317 6.516 1.00 0.00 C ATOM 818 O SER A 55 5.524 -3.091 6.580 1.00 0.00 O ATOM 819 CB SER A 55 2.727 -4.371 4.897 1.00 0.00 C ATOM 820 OG SER A 55 2.526 -4.510 3.501 1.00 0.00 O ATOM 0 H SER A 55 4.907 -3.644 3.701 1.00 0.00 H new ATOM 0 HA SER A 55 2.876 -2.271 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.237 -5.253 5.284 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.763 -4.313 5.403 1.00 0.00 H new ATOM 0 HG SER A 55 1.999 -5.317 3.325 1.00 0.00 H new ATOM 826 N GLY A 56 3.605 -3.742 7.556 1.00 0.00 N ATOM 827 CA GLY A 56 4.233 -3.963 8.845 1.00 0.00 C ATOM 828 C GLY A 56 5.003 -5.267 8.899 1.00 0.00 C ATOM 829 O GLY A 56 6.228 -5.278 8.779 1.00 0.00 O ATOM 0 H GLY A 56 2.604 -3.937 7.528 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.909 -3.136 9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.469 -3.963 9.623 1.00 0.00 H new ATOM 833 N GLU A 57 4.284 -6.370 9.081 1.00 0.00 N ATOM 834 CA GLU A 57 4.909 -7.686 9.153 1.00 0.00 C ATOM 835 C GLU A 57 5.852 -7.905 7.974 1.00 0.00 C ATOM 836 O GLU A 57 6.752 -8.743 8.033 1.00 0.00 O ATOM 837 CB GLU A 57 3.841 -8.782 9.177 1.00 0.00 C ATOM 838 CG GLU A 57 3.472 -9.301 7.798 1.00 0.00 C ATOM 839 CD GLU A 57 4.296 -10.507 7.389 1.00 0.00 C ATOM 840 OE1 GLU A 57 4.147 -11.571 8.024 1.00 0.00 O ATOM 841 OE2 GLU A 57 5.090 -10.384 6.432 1.00 0.00 O ATOM 0 H GLU A 57 3.269 -6.379 9.181 1.00 0.00 H new ATOM 0 HA GLU A 57 5.489 -7.735 10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.198 -9.613 9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.945 -8.394 9.662 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.415 -9.566 7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.610 -8.506 7.066 1.00 0.00 H new ATOM 848 N ALA A 58 5.639 -7.147 6.904 1.00 0.00 N ATOM 849 CA ALA A 58 6.470 -7.257 5.712 1.00 0.00 C ATOM 850 C ALA A 58 7.709 -6.374 5.823 1.00 0.00 C ATOM 851 O ALA A 58 8.838 -6.856 5.725 1.00 0.00 O ATOM 852 CB ALA A 58 5.667 -6.889 4.473 1.00 0.00 C ATOM 0 H ALA A 58 4.898 -6.450 6.838 1.00 0.00 H new ATOM 0 HA ALA A 58 6.800 -8.292 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.300 -6.976 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.816 -7.564 4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.308 -5.864 4.563 1.00 0.00 H new ATOM 858 N TYR A 59 7.491 -5.080 6.028 1.00 0.00 N ATOM 859 CA TYR A 59 8.590 -4.130 6.150 1.00 0.00 C ATOM 860 C TYR A 59 9.768 -4.751 6.895 1.00 0.00 C ATOM 861 O TYR A 59 10.922 -4.393 6.662 1.00 0.00 O ATOM 862 CB TYR A 59 8.122 -2.867 6.875 1.00 0.00 C ATOM 863 CG TYR A 59 9.254 -2.034 7.432 1.00 0.00 C ATOM 864 CD1 TYR A 59 9.859 -2.365 8.638 1.00 0.00 C ATOM 865 CD2 TYR A 59 9.721 -0.916 6.751 1.00 0.00 C ATOM 866 CE1 TYR A 59 10.893 -1.606 9.151 1.00 0.00 C ATOM 867 CE2 TYR A 59 10.755 -0.152 7.255 1.00 0.00 C ATOM 868 CZ TYR A 59 11.338 -0.501 8.456 1.00 0.00 C ATOM 869 OH TYR A 59 12.368 0.257 8.963 1.00 0.00 O ATOM 0 H TYR A 59 6.563 -4.665 6.113 1.00 0.00 H new ATOM 0 HA TYR A 59 8.919 -3.864 5.146 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.539 -2.257 6.185 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.456 -3.152 7.690 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.515 -3.231 9.184 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.267 -0.640 5.811 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.350 -1.876 10.091 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.105 0.714 6.712 1.00 0.00 H new ATOM 0 HH TYR A 59 12.963 -0.313 9.493 1.00 0.00 H new ATOM 879 N GLU A 60 9.465 -5.684 7.793 1.00 0.00 N ATOM 880 CA GLU A 60 10.498 -6.355 8.573 1.00 0.00 C ATOM 881 C GLU A 60 11.073 -7.543 7.807 1.00 0.00 C ATOM 882 O GLU A 60 12.270 -7.592 7.524 1.00 0.00 O ATOM 883 CB GLU A 60 9.931 -6.825 9.914 1.00 0.00 C ATOM 884 CG GLU A 60 9.889 -5.736 10.973 1.00 0.00 C ATOM 885 CD GLU A 60 11.272 -5.280 11.396 1.00 0.00 C ATOM 886 OE1 GLU A 60 12.255 -5.967 11.047 1.00 0.00 O ATOM 887 OE2 GLU A 60 11.371 -4.237 12.075 1.00 0.00 O ATOM 0 H GLU A 60 8.514 -5.992 7.998 1.00 0.00 H new ATOM 0 HA GLU A 60 11.300 -5.640 8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.922 -7.208 9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.533 -7.655 10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.331 -4.882 10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.349 -6.104 11.846 1.00 0.00 H new ATOM 894 N SER A 61 10.211 -8.498 7.475 1.00 0.00 N ATOM 895 CA SER A 61 10.633 -9.689 6.746 1.00 0.00 C ATOM 896 C SER A 61 11.028 -9.337 5.314 1.00 0.00 C ATOM 897 O SER A 61 11.450 -10.201 4.545 1.00 0.00 O ATOM 898 CB SER A 61 9.513 -10.731 6.736 1.00 0.00 C ATOM 899 OG SER A 61 8.398 -10.275 5.989 1.00 0.00 O ATOM 0 H SER A 61 9.216 -8.471 7.699 1.00 0.00 H new ATOM 0 HA SER A 61 11.503 -10.106 7.253 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.883 -11.663 6.310 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.205 -10.948 7.759 1.00 0.00 H new ATOM 0 HG SER A 61 7.733 -9.889 6.597 1.00 0.00 H new ATOM 905 N HIS A 62 10.887 -8.063 4.964 1.00 0.00 N ATOM 906 CA HIS A 62 11.229 -7.595 3.625 1.00 0.00 C ATOM 907 C HIS A 62 12.659 -7.065 3.584 1.00 0.00 C ATOM 908 O HIS A 62 13.164 -6.699 2.524 1.00 0.00 O ATOM 909 CB HIS A 62 10.254 -6.505 3.179 1.00 0.00 C ATOM 910 CG HIS A 62 10.833 -5.563 2.168 1.00 0.00 C ATOM 911 ND1 HIS A 62 10.938 -5.869 0.828 1.00 0.00 N ATOM 912 CD2 HIS A 62 11.336 -4.314 2.308 1.00 0.00 C ATOM 913 CE1 HIS A 62 11.484 -4.850 0.187 1.00 0.00 C ATOM 914 NE2 HIS A 62 11.734 -3.894 1.063 1.00 0.00 N ATOM 0 H HIS A 62 10.538 -7.336 5.589 1.00 0.00 H new ATOM 0 HA HIS A 62 11.154 -8.440 2.940 1.00 0.00 H new ATOM 0 HB2 HIS A 62 9.364 -6.974 2.759 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.933 -5.936 4.052 1.00 0.00 H new ATOM 0 HD1 HIS A 62 10.641 -6.745 0.398 1.00 0.00 H new ATOM 0 HD2 HIS A 62 11.410 -3.753 3.228 1.00 0.00 H new ATOM 0 HE1 HIS A 62 11.690 -4.807 -0.872 1.00 0.00 H new ATOM 922 N GLU A 63 13.304 -7.026 4.746 1.00 0.00 N ATOM 923 CA GLU A 63 14.675 -6.538 4.841 1.00 0.00 C ATOM 924 C GLU A 63 15.650 -7.531 4.216 1.00 0.00 C ATOM 925 O GLU A 63 16.686 -7.144 3.676 1.00 0.00 O ATOM 926 CB GLU A 63 15.051 -6.289 6.303 1.00 0.00 C ATOM 927 CG GLU A 63 15.687 -7.491 6.981 1.00 0.00 C ATOM 928 CD GLU A 63 15.807 -7.318 8.483 1.00 0.00 C ATOM 929 OE1 GLU A 63 16.733 -6.608 8.927 1.00 0.00 O ATOM 930 OE2 GLU A 63 14.973 -7.893 9.214 1.00 0.00 O ATOM 0 H GLU A 63 12.900 -7.326 5.633 1.00 0.00 H new ATOM 0 HA GLU A 63 14.738 -5.598 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.741 -5.447 6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.156 -6.002 6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.093 -8.380 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.677 -7.660 6.558 1.00 0.00 H new ATOM 937 N GLY A 64 15.311 -8.814 4.294 1.00 0.00 N ATOM 938 CA GLY A 64 16.167 -9.844 3.733 1.00 0.00 C ATOM 939 C GLY A 64 15.924 -10.055 2.252 1.00 0.00 C ATOM 940 O GLY A 64 16.849 -10.372 1.504 1.00 0.00 O ATOM 0 H GLY A 64 14.459 -9.159 4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.210 -9.572 3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.998 -10.781 4.263 1.00 0.00 H new ATOM 944 N MET A 65 14.677 -9.881 1.827 1.00 0.00 N ATOM 945 CA MET A 65 14.316 -10.056 0.425 1.00 0.00 C ATOM 946 C MET A 65 14.381 -8.728 -0.323 1.00 0.00 C ATOM 947 O MET A 65 14.309 -8.692 -1.551 1.00 0.00 O ATOM 948 CB MET A 65 12.912 -10.652 0.308 1.00 0.00 C ATOM 949 CG MET A 65 12.721 -11.522 -0.924 1.00 0.00 C ATOM 950 SD MET A 65 12.182 -10.578 -2.363 1.00 0.00 S ATOM 951 CE MET A 65 12.395 -11.792 -3.663 1.00 0.00 C ATOM 0 H MET A 65 13.900 -9.619 2.433 1.00 0.00 H new ATOM 0 HA MET A 65 15.033 -10.742 -0.026 1.00 0.00 H new ATOM 0 HB2 MET A 65 12.703 -11.246 1.198 1.00 0.00 H new ATOM 0 HB3 MET A 65 12.183 -9.842 0.287 1.00 0.00 H new ATOM 0 HG2 MET A 65 13.658 -12.028 -1.156 1.00 0.00 H new ATOM 0 HG3 MET A 65 11.986 -12.297 -0.707 1.00 0.00 H new ATOM 0 HE1 MET A 65 12.102 -11.357 -4.619 1.00 0.00 H new ATOM 0 HE2 MET A 65 13.441 -12.097 -3.708 1.00 0.00 H new ATOM 0 HE3 MET A 65 11.772 -12.662 -3.454 1.00 0.00 H new ATOM 961 N CYS A 66 14.517 -7.639 0.426 1.00 0.00 N ATOM 962 CA CYS A 66 14.591 -6.308 -0.165 1.00 0.00 C ATOM 963 C CYS A 66 15.366 -6.339 -1.479 1.00 0.00 C ATOM 964 O CYS A 66 16.428 -6.952 -1.588 1.00 0.00 O ATOM 965 CB CYS A 66 15.254 -5.331 0.808 1.00 0.00 C ATOM 966 SG CYS A 66 15.278 -3.605 0.226 1.00 0.00 S ATOM 0 H CYS A 66 14.578 -7.652 1.444 1.00 0.00 H new ATOM 0 HA CYS A 66 13.575 -5.972 -0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 66 14.730 -5.374 1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 66 16.278 -5.656 0.991 1.00 0.00 H new ATOM 971 N PRO A 67 14.824 -5.662 -2.502 1.00 0.00 N ATOM 972 CA PRO A 67 15.448 -5.596 -3.827 1.00 0.00 C ATOM 973 C PRO A 67 16.725 -4.763 -3.825 1.00 0.00 C ATOM 974 O PRO A 67 17.646 -5.022 -4.600 1.00 0.00 O ATOM 975 CB PRO A 67 14.375 -4.928 -4.691 1.00 0.00 C ATOM 976 CG PRO A 67 13.557 -4.134 -3.733 1.00 0.00 C ATOM 977 CD PRO A 67 13.560 -4.909 -2.444 1.00 0.00 C ATOM 0 HA PRO A 67 15.751 -6.580 -4.185 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.822 -4.290 -5.454 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.768 -5.669 -5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.979 -3.139 -3.591 1.00 0.00 H new ATOM 0 HG3 PRO A 67 12.541 -4.000 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.525 -4.248 -1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.699 -5.574 -2.373 1.00 0.00 H new ATOM 985 N GLN A 68 16.774 -3.764 -2.950 1.00 0.00 N ATOM 986 CA GLN A 68 17.939 -2.894 -2.848 1.00 0.00 C ATOM 987 C GLN A 68 18.377 -2.737 -1.396 1.00 0.00 C ATOM 988 O GLN A 68 18.162 -1.692 -0.783 1.00 0.00 O ATOM 989 CB GLN A 68 17.631 -1.522 -3.451 1.00 0.00 C ATOM 990 CG GLN A 68 17.868 -1.450 -4.951 1.00 0.00 C ATOM 991 CD GLN A 68 19.341 -1.413 -5.309 1.00 0.00 C ATOM 992 OE1 GLN A 68 20.000 -2.451 -5.383 1.00 0.00 O ATOM 993 NE2 GLN A 68 19.867 -0.215 -5.532 1.00 0.00 N ATOM 0 H GLN A 68 16.020 -3.537 -2.301 1.00 0.00 H new ATOM 0 HA GLN A 68 18.754 -3.354 -3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.592 -1.268 -3.243 1.00 0.00 H new ATOM 0 HB3 GLN A 68 18.248 -0.771 -2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.403 -2.312 -5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 68 17.379 -0.561 -5.350 1.00 0.00 H new ATOM 0 HE21 GLN A 68 19.284 0.619 -5.460 1.00 0.00 H new ATOM 0 HE22 GLN A 68 20.854 -0.129 -5.776 1.00 0.00 H new ATOM 1002 N GLU A 69 18.991 -3.783 -0.852 1.00 0.00 N ATOM 1003 CA GLU A 69 19.457 -3.761 0.530 1.00 0.00 C ATOM 1004 C GLU A 69 20.827 -3.095 0.631 1.00 0.00 C ATOM 1005 O GLU A 69 21.211 -2.600 1.690 1.00 0.00 O ATOM 1006 CB GLU A 69 19.526 -5.183 1.091 1.00 0.00 C ATOM 1007 CG GLU A 69 20.412 -5.310 2.320 1.00 0.00 C ATOM 1008 CD GLU A 69 20.428 -6.717 2.884 1.00 0.00 C ATOM 1009 OE1 GLU A 69 19.495 -7.489 2.582 1.00 0.00 O ATOM 1010 OE2 GLU A 69 21.376 -7.046 3.627 1.00 0.00 O ATOM 0 H GLU A 69 19.177 -4.655 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 69 18.746 -3.181 1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.519 -5.514 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 69 19.897 -5.853 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.429 -5.014 2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.064 -4.619 3.087 1.00 0.00 H new ATOM 1017 N SER A 70 21.558 -3.088 -0.479 1.00 0.00 N ATOM 1018 CA SER A 70 22.886 -2.488 -0.515 1.00 0.00 C ATOM 1019 C SER A 70 23.185 -1.912 -1.896 1.00 0.00 C ATOM 1020 O SER A 70 22.737 -2.443 -2.912 1.00 0.00 O ATOM 1021 CB SER A 70 23.948 -3.524 -0.141 1.00 0.00 C ATOM 1022 OG SER A 70 25.249 -3.057 -0.455 1.00 0.00 O ATOM 0 H SER A 70 21.253 -3.491 -1.365 1.00 0.00 H new ATOM 0 HA SER A 70 22.910 -1.676 0.211 1.00 0.00 H new ATOM 0 HB2 SER A 70 23.885 -3.746 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 70 23.755 -4.456 -0.672 1.00 0.00 H new ATOM 0 HG SER A 70 25.910 -3.736 -0.205 1.00 0.00 H new ATOM 1028 N SER A 71 23.946 -0.823 -1.925 1.00 0.00 N ATOM 1029 CA SER A 71 24.302 -0.172 -3.180 1.00 0.00 C ATOM 1030 C SER A 71 25.757 -0.454 -3.545 1.00 0.00 C ATOM 1031 O SER A 71 26.623 -0.534 -2.674 1.00 0.00 O ATOM 1032 CB SER A 71 24.074 1.337 -3.079 1.00 0.00 C ATOM 1033 OG SER A 71 25.207 1.990 -2.533 1.00 0.00 O ATOM 0 H SER A 71 24.328 -0.373 -1.093 1.00 0.00 H new ATOM 0 HA SER A 71 23.663 -0.577 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 71 23.859 1.742 -4.068 1.00 0.00 H new ATOM 0 HB3 SER A 71 23.201 1.535 -2.456 1.00 0.00 H new ATOM 0 HG SER A 71 25.036 2.953 -2.481 1.00 0.00 H new ATOM 1039 N GLY A 72 26.018 -0.605 -4.840 1.00 0.00 N ATOM 1040 CA GLY A 72 27.367 -0.877 -5.298 1.00 0.00 C ATOM 1041 C GLY A 72 27.535 -0.632 -6.784 1.00 0.00 C ATOM 1042 O GLY A 72 26.619 -0.847 -7.578 1.00 0.00 O ATOM 0 H GLY A 72 25.319 -0.544 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 72 28.068 -0.249 -4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 72 27.622 -1.912 -5.072 1.00 0.00 H new ATOM 1046 N PRO A 73 28.730 -0.171 -7.181 1.00 0.00 N ATOM 1047 CA PRO A 73 29.043 0.114 -8.585 1.00 0.00 C ATOM 1048 C PRO A 73 29.145 -1.154 -9.425 1.00 0.00 C ATOM 1049 O PRO A 73 28.993 -1.115 -10.646 1.00 0.00 O ATOM 1050 CB PRO A 73 30.401 0.817 -8.510 1.00 0.00 C ATOM 1051 CG PRO A 73 31.012 0.327 -7.242 1.00 0.00 C ATOM 1052 CD PRO A 73 29.869 0.108 -6.290 1.00 0.00 C ATOM 0 HA PRO A 73 28.265 0.709 -9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 73 31.023 0.570 -9.370 1.00 0.00 H new ATOM 0 HB3 PRO A 73 30.286 1.901 -8.501 1.00 0.00 H new ATOM 0 HG2 PRO A 73 31.565 -0.598 -7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 73 31.719 1.054 -6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 73 30.063 -0.725 -5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 73 29.688 0.986 -5.670 1.00 0.00 H new ATOM 1060 N SER A 74 29.402 -2.278 -8.763 1.00 0.00 N ATOM 1061 CA SER A 74 29.527 -3.558 -9.450 1.00 0.00 C ATOM 1062 C SER A 74 28.154 -4.165 -9.722 1.00 0.00 C ATOM 1063 O SER A 74 27.844 -4.548 -10.850 1.00 0.00 O ATOM 1064 CB SER A 74 30.371 -4.526 -8.619 1.00 0.00 C ATOM 1065 OG SER A 74 31.748 -4.202 -8.700 1.00 0.00 O ATOM 0 H SER A 74 29.528 -2.328 -7.752 1.00 0.00 H new ATOM 0 HA SER A 74 30.023 -3.383 -10.405 1.00 0.00 H new ATOM 0 HB2 SER A 74 30.047 -4.494 -7.579 1.00 0.00 H new ATOM 0 HB3 SER A 74 30.213 -5.545 -8.971 1.00 0.00 H new ATOM 0 HG SER A 74 32.265 -4.834 -8.159 1.00 0.00 H new ATOM 1071 N SER A 75 27.335 -4.251 -8.678 1.00 0.00 N ATOM 1072 CA SER A 75 25.996 -4.815 -8.802 1.00 0.00 C ATOM 1073 C SER A 75 25.021 -3.783 -9.360 1.00 0.00 C ATOM 1074 O SER A 75 23.891 -4.111 -9.718 1.00 0.00 O ATOM 1075 CB SER A 75 25.504 -5.316 -7.443 1.00 0.00 C ATOM 1076 OG SER A 75 26.184 -6.498 -7.057 1.00 0.00 O ATOM 0 H SER A 75 27.575 -3.937 -7.738 1.00 0.00 H new ATOM 0 HA SER A 75 26.045 -5.655 -9.495 1.00 0.00 H new ATOM 0 HB2 SER A 75 25.657 -4.543 -6.690 1.00 0.00 H new ATOM 0 HB3 SER A 75 24.432 -5.508 -7.489 1.00 0.00 H new ATOM 0 HG SER A 75 25.852 -6.796 -6.184 1.00 0.00 H new ATOM 1082 N GLY A 76 25.468 -2.533 -9.431 1.00 0.00 N ATOM 1083 CA GLY A 76 24.624 -1.471 -9.946 1.00 0.00 C ATOM 1084 C GLY A 76 24.028 -1.809 -11.298 1.00 0.00 C ATOM 1085 O GLY A 76 24.563 -2.674 -11.989 1.00 0.00 O ATOM 0 H GLY A 76 26.400 -2.237 -9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.820 -1.274 -9.237 1.00 0.00 H new ATOM 0 HA3 GLY A 76 25.208 -0.554 -10.029 1.00 0.00 H new TER 1089 GLY A 76 HETATM 1090 ZN ZN A 201 -5.867 2.782 6.573 1.00 0.00 ZN HETATM 1091 ZN ZN A 401 13.326 -2.632 0.776 1.00 0.00 ZN