USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 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 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0835 USER MOD Single : A 5 SER OG : rot -53:sc= 0.183 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) USER MOD Single : A 10 ASN : amide:sc= -0.381 K(o=-0.38,f=-1.9) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 107:sc= 0.432 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0473 K(o=-0.047,f=-1.5) USER MOD Single : A 21 ASN : amide:sc= -4.86! C(o=-4.9!,f=-5.8!) USER MOD Single : A 25 MET CE :methyl -126:sc= -0.427 (180deg=-1.58) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.602! USER MOD Single : A 37 GLN : amide:sc= -1.69 K(o=-1.7,f=-7.4!) USER MOD Single : A 38 HIS : no HE2:sc= -0.382 X(o=-0.38,f=-0.35) USER MOD Single : A 42 LYS NZ :NH3+ 134:sc= -0.664 (180deg=-4.45!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.716 K(o=-0.72,f=-0.016) USER MOD Single : A 70 SER OG : rot 43:sc= 0.299 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 53:sc= 0.405 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.873 17.141 -9.414 1.00 0.00 N ATOM 2 CA GLY A 1 8.797 16.032 -10.347 1.00 0.00 C ATOM 3 C GLY A 1 7.372 15.713 -10.753 1.00 0.00 C ATOM 4 O GLY A 1 6.764 16.444 -11.535 1.00 0.00 O ATOM 0 H1 GLY A 1 9.867 17.320 -9.167 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.467 17.992 -9.853 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.339 16.907 -8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.381 16.269 -11.237 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.249 15.149 -9.895 1.00 0.00 H new ATOM 8 N SER A 2 6.837 14.618 -10.223 1.00 0.00 N ATOM 9 CA SER A 2 5.477 14.200 -10.540 1.00 0.00 C ATOM 10 C SER A 2 4.796 13.593 -9.317 1.00 0.00 C ATOM 11 O SER A 2 5.434 12.917 -8.509 1.00 0.00 O ATOM 12 CB SER A 2 5.485 13.189 -11.688 1.00 0.00 C ATOM 13 OG SER A 2 5.779 11.885 -11.218 1.00 0.00 O ATOM 0 H SER A 2 7.325 14.004 -9.571 1.00 0.00 H new ATOM 0 HA SER A 2 4.915 15.082 -10.847 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.514 13.190 -12.184 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.224 13.486 -12.433 1.00 0.00 H new ATOM 0 HG SER A 2 5.776 11.258 -11.971 1.00 0.00 H new ATOM 19 N SER A 3 3.496 13.838 -9.188 1.00 0.00 N ATOM 20 CA SER A 3 2.728 13.319 -8.062 1.00 0.00 C ATOM 21 C SER A 3 1.675 12.323 -8.537 1.00 0.00 C ATOM 22 O SER A 3 1.498 12.113 -9.736 1.00 0.00 O ATOM 23 CB SER A 3 2.058 14.465 -7.303 1.00 0.00 C ATOM 24 OG SER A 3 1.506 14.012 -6.079 1.00 0.00 O ATOM 0 H SER A 3 2.952 14.393 -9.849 1.00 0.00 H new ATOM 0 HA SER A 3 3.415 12.803 -7.392 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.787 15.251 -7.108 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.273 14.904 -7.919 1.00 0.00 H new ATOM 0 HG SER A 3 1.085 14.764 -5.612 1.00 0.00 H new ATOM 30 N GLY A 4 0.976 11.711 -7.585 1.00 0.00 N ATOM 31 CA GLY A 4 -0.052 10.744 -7.924 1.00 0.00 C ATOM 32 C GLY A 4 -1.003 10.481 -6.773 1.00 0.00 C ATOM 33 O GLY A 4 -1.584 11.412 -6.214 1.00 0.00 O ATOM 0 H GLY A 4 1.104 11.868 -6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.617 11.105 -8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.419 9.808 -8.223 1.00 0.00 H new ATOM 37 N SER A 5 -1.164 9.210 -6.419 1.00 0.00 N ATOM 38 CA SER A 5 -2.056 8.827 -5.331 1.00 0.00 C ATOM 39 C SER A 5 -3.474 9.327 -5.589 1.00 0.00 C ATOM 40 O SER A 5 -4.181 9.726 -4.664 1.00 0.00 O ATOM 41 CB SER A 5 -1.541 9.383 -4.002 1.00 0.00 C ATOM 42 OG SER A 5 -2.169 8.744 -2.904 1.00 0.00 O ATOM 0 H SER A 5 -0.688 8.428 -6.870 1.00 0.00 H new ATOM 0 HA SER A 5 -2.078 7.739 -5.278 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.462 9.243 -3.940 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.726 10.456 -3.957 1.00 0.00 H new ATOM 0 HG SER A 5 -3.142 8.793 -3.010 1.00 0.00 H new ATOM 48 N SER A 6 -3.882 9.302 -6.854 1.00 0.00 N ATOM 49 CA SER A 6 -5.214 9.756 -7.236 1.00 0.00 C ATOM 50 C SER A 6 -6.286 9.047 -6.414 1.00 0.00 C ATOM 51 O SER A 6 -7.054 9.684 -5.694 1.00 0.00 O ATOM 52 CB SER A 6 -5.451 9.509 -8.727 1.00 0.00 C ATOM 53 OG SER A 6 -6.784 9.825 -9.091 1.00 0.00 O ATOM 0 H SER A 6 -3.310 8.972 -7.631 1.00 0.00 H new ATOM 0 HA SER A 6 -5.278 10.826 -7.038 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.758 10.112 -9.313 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.244 8.465 -8.963 1.00 0.00 H new ATOM 0 HG SER A 6 -6.909 9.660 -10.049 1.00 0.00 H new ATOM 59 N GLY A 7 -6.332 7.723 -6.529 1.00 0.00 N ATOM 60 CA GLY A 7 -7.313 6.949 -5.791 1.00 0.00 C ATOM 61 C GLY A 7 -8.724 7.165 -6.301 1.00 0.00 C ATOM 62 O GLY A 7 -8.969 8.059 -7.111 1.00 0.00 O ATOM 0 H GLY A 7 -5.708 7.173 -7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.063 5.890 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.266 7.219 -4.736 1.00 0.00 H new ATOM 66 N HIS A 8 -9.655 6.343 -5.827 1.00 0.00 N ATOM 67 CA HIS A 8 -11.050 6.448 -6.241 1.00 0.00 C ATOM 68 C HIS A 8 -11.958 5.674 -5.290 1.00 0.00 C ATOM 69 O HIS A 8 -11.536 4.698 -4.668 1.00 0.00 O ATOM 70 CB HIS A 8 -11.221 5.925 -7.667 1.00 0.00 C ATOM 71 CG HIS A 8 -11.388 4.439 -7.744 1.00 0.00 C ATOM 72 ND1 HIS A 8 -10.386 3.551 -7.411 1.00 0.00 N ATOM 73 CD2 HIS A 8 -12.448 3.685 -8.118 1.00 0.00 C ATOM 74 CE1 HIS A 8 -10.823 2.315 -7.578 1.00 0.00 C ATOM 75 NE2 HIS A 8 -12.072 2.369 -8.006 1.00 0.00 N ATOM 0 H HIS A 8 -9.469 5.597 -5.156 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.334 7.500 -6.211 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -12.090 6.404 -8.119 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -10.353 6.216 -8.258 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.411 4.050 -8.444 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.256 1.414 -7.396 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -12.661 1.564 -8.219 1.00 0.00 H new ATOM 83 N LEU A 9 -13.206 6.116 -5.181 1.00 0.00 N ATOM 84 CA LEU A 9 -14.174 5.465 -4.305 1.00 0.00 C ATOM 85 C LEU A 9 -15.594 5.647 -4.833 1.00 0.00 C ATOM 86 O LEU A 9 -15.819 6.373 -5.800 1.00 0.00 O ATOM 87 CB LEU A 9 -14.069 6.029 -2.887 1.00 0.00 C ATOM 88 CG LEU A 9 -13.846 7.538 -2.780 1.00 0.00 C ATOM 89 CD1 LEU A 9 -12.424 7.898 -3.181 1.00 0.00 C ATOM 90 CD2 LEU A 9 -14.851 8.288 -3.642 1.00 0.00 C ATOM 0 H LEU A 9 -13.571 6.922 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.948 4.399 -4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.983 5.778 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.249 5.524 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.995 7.835 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.285 8.976 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.720 7.389 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.246 7.587 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.677 9.360 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.734 7.986 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.862 8.055 -3.308 1.00 0.00 H new ATOM 102 N ASN A 10 -16.549 4.985 -4.188 1.00 0.00 N ATOM 103 CA ASN A 10 -17.948 5.075 -4.591 1.00 0.00 C ATOM 104 C ASN A 10 -18.870 4.978 -3.380 1.00 0.00 C ATOM 105 O ASN A 10 -18.779 4.039 -2.589 1.00 0.00 O ATOM 106 CB ASN A 10 -18.284 3.968 -5.593 1.00 0.00 C ATOM 107 CG ASN A 10 -17.693 4.230 -6.965 1.00 0.00 C ATOM 108 OD1 ASN A 10 -17.640 5.372 -7.422 1.00 0.00 O ATOM 109 ND2 ASN A 10 -17.246 3.171 -7.628 1.00 0.00 N ATOM 0 H ASN A 10 -16.380 4.380 -3.384 1.00 0.00 H new ATOM 0 HA ASN A 10 -18.102 6.044 -5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -17.912 3.015 -5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -19.367 3.876 -5.679 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.838 3.285 -8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.310 2.243 -7.210 1.00 0.00 H new ATOM 116 N THR A 11 -19.761 5.955 -3.242 1.00 0.00 N ATOM 117 CA THR A 11 -20.700 5.981 -2.127 1.00 0.00 C ATOM 118 C THR A 11 -21.577 4.735 -2.119 1.00 0.00 C ATOM 119 O THR A 11 -22.661 4.723 -2.704 1.00 0.00 O ATOM 120 CB THR A 11 -21.601 7.229 -2.181 1.00 0.00 C ATOM 121 OG1 THR A 11 -20.822 8.407 -1.947 1.00 0.00 O ATOM 122 CG2 THR A 11 -22.714 7.138 -1.149 1.00 0.00 C ATOM 0 H THR A 11 -19.852 6.739 -3.888 1.00 0.00 H new ATOM 0 HA THR A 11 -20.106 6.010 -1.213 1.00 0.00 H new ATOM 0 HB THR A 11 -22.050 7.282 -3.173 1.00 0.00 H new ATOM 0 HG1 THR A 11 -21.402 9.196 -1.985 1.00 0.00 H new ATOM 0 HG21 THR A 11 -23.337 8.031 -1.206 1.00 0.00 H new ATOM 0 HG22 THR A 11 -23.324 6.257 -1.348 1.00 0.00 H new ATOM 0 HG23 THR A 11 -22.280 7.062 -0.152 1.00 0.00 H new ATOM 130 N CYS A 12 -21.103 3.688 -1.452 1.00 0.00 N ATOM 131 CA CYS A 12 -21.846 2.435 -1.367 1.00 0.00 C ATOM 132 C CYS A 12 -22.523 2.296 -0.008 1.00 0.00 C ATOM 133 O CYS A 12 -22.378 3.155 0.860 1.00 0.00 O ATOM 134 CB CYS A 12 -20.913 1.248 -1.611 1.00 0.00 C ATOM 135 SG CYS A 12 -19.681 0.999 -0.310 1.00 0.00 S ATOM 0 H CYS A 12 -20.208 3.682 -0.962 1.00 0.00 H new ATOM 0 HA CYS A 12 -22.618 2.445 -2.137 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -21.512 0.342 -1.708 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -20.399 1.393 -2.561 1.00 0.00 H new ATOM 0 HG CYS A 12 -19.999 -0.046 0.395 1.00 0.00 H new ATOM 141 N SER A 13 -23.265 1.207 0.168 1.00 0.00 N ATOM 142 CA SER A 13 -23.970 0.957 1.420 1.00 0.00 C ATOM 143 C SER A 13 -23.286 -0.151 2.216 1.00 0.00 C ATOM 144 O SER A 13 -23.510 -1.337 1.970 1.00 0.00 O ATOM 145 CB SER A 13 -25.426 0.577 1.143 1.00 0.00 C ATOM 146 OG SER A 13 -26.269 0.980 2.208 1.00 0.00 O ATOM 0 H SER A 13 -23.393 0.484 -0.540 1.00 0.00 H new ATOM 0 HA SER A 13 -23.947 1.873 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 13 -25.757 1.045 0.216 1.00 0.00 H new ATOM 0 HB3 SER A 13 -25.503 -0.501 1.002 1.00 0.00 H new ATOM 0 HG SER A 13 -27.194 0.728 2.006 1.00 0.00 H new ATOM 152 N PHE A 14 -22.452 0.244 3.172 1.00 0.00 N ATOM 153 CA PHE A 14 -21.735 -0.713 4.005 1.00 0.00 C ATOM 154 C PHE A 14 -21.486 -0.143 5.398 1.00 0.00 C ATOM 155 O PHE A 14 -20.995 0.975 5.544 1.00 0.00 O ATOM 156 CB PHE A 14 -20.404 -1.093 3.352 1.00 0.00 C ATOM 157 CG PHE A 14 -20.521 -2.220 2.365 1.00 0.00 C ATOM 158 CD1 PHE A 14 -21.147 -2.026 1.144 1.00 0.00 C ATOM 159 CD2 PHE A 14 -20.003 -3.471 2.658 1.00 0.00 C ATOM 160 CE1 PHE A 14 -21.256 -3.061 0.235 1.00 0.00 C ATOM 161 CE2 PHE A 14 -20.109 -4.510 1.752 1.00 0.00 C ATOM 162 CZ PHE A 14 -20.736 -4.304 0.539 1.00 0.00 C ATOM 0 H PHE A 14 -22.256 1.221 3.389 1.00 0.00 H new ATOM 0 HA PHE A 14 -22.353 -1.606 4.102 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -19.994 -0.219 2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -19.694 -1.374 4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -21.554 -1.056 0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -19.511 -3.637 3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -21.748 -2.898 -0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -19.702 -5.481 1.993 1.00 0.00 H new ATOM 0 HZ PHE A 14 -20.820 -5.114 -0.171 1.00 0.00 H new ATOM 172 N ASN A 15 -21.828 -0.922 6.420 1.00 0.00 N ATOM 173 CA ASN A 15 -21.643 -0.495 7.802 1.00 0.00 C ATOM 174 C ASN A 15 -20.190 -0.668 8.235 1.00 0.00 C ATOM 175 O ASN A 15 -19.782 -1.749 8.658 1.00 0.00 O ATOM 176 CB ASN A 15 -22.562 -1.291 8.731 1.00 0.00 C ATOM 177 CG ASN A 15 -22.491 -0.809 10.167 1.00 0.00 C ATOM 178 OD1 ASN A 15 -21.973 0.273 10.445 1.00 0.00 O ATOM 179 ND2 ASN A 15 -23.013 -1.612 11.087 1.00 0.00 N ATOM 0 H ASN A 15 -22.235 -1.852 6.317 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.899 0.562 7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -23.589 -1.213 8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -22.290 -2.346 8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -22.995 -1.341 12.070 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -23.432 -2.500 10.810 1.00 0.00 H new ATOM 186 N VAL A 16 -19.414 0.406 8.126 1.00 0.00 N ATOM 187 CA VAL A 16 -18.008 0.375 8.508 1.00 0.00 C ATOM 188 C VAL A 16 -17.511 1.764 8.892 1.00 0.00 C ATOM 189 O VAL A 16 -18.140 2.771 8.565 1.00 0.00 O ATOM 190 CB VAL A 16 -17.129 -0.176 7.369 1.00 0.00 C ATOM 191 CG1 VAL A 16 -15.743 -0.529 7.886 1.00 0.00 C ATOM 192 CG2 VAL A 16 -17.790 -1.384 6.723 1.00 0.00 C ATOM 0 H VAL A 16 -19.736 1.308 7.776 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.929 -0.287 9.371 1.00 0.00 H new ATOM 0 HB VAL A 16 -17.020 0.599 6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.137 -0.916 7.067 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.270 0.363 8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.827 -1.287 8.665 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -17.155 -1.760 5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -17.931 -2.165 7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.758 -1.094 6.314 1.00 0.00 H new ATOM 202 N ILE A 17 -16.380 1.811 9.587 1.00 0.00 N ATOM 203 CA ILE A 17 -15.798 3.077 10.014 1.00 0.00 C ATOM 204 C ILE A 17 -14.569 3.426 9.181 1.00 0.00 C ATOM 205 O ILE A 17 -13.748 2.570 8.852 1.00 0.00 O ATOM 206 CB ILE A 17 -15.402 3.041 11.502 1.00 0.00 C ATOM 207 CG1 ILE A 17 -14.458 1.868 11.773 1.00 0.00 C ATOM 208 CG2 ILE A 17 -16.642 2.943 12.378 1.00 0.00 C ATOM 209 CD1 ILE A 17 -13.431 2.154 12.846 1.00 0.00 C ATOM 0 H ILE A 17 -15.848 0.987 9.867 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.562 3.841 9.868 1.00 0.00 H new ATOM 0 HB ILE A 17 -14.881 3.966 11.746 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.047 0.999 12.067 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.943 1.606 10.849 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.346 2.919 13.427 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.281 3.808 12.202 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.189 2.032 12.134 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.796 1.279 12.985 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.817 3.003 12.545 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.938 2.387 13.782 1.00 0.00 H new ATOM 221 N PRO A 18 -14.437 4.715 8.833 1.00 0.00 N ATOM 222 CA PRO A 18 -13.310 5.208 8.036 1.00 0.00 C ATOM 223 C PRO A 18 -11.997 5.181 8.810 1.00 0.00 C ATOM 224 O PRO A 18 -11.971 5.426 10.017 1.00 0.00 O ATOM 225 CB PRO A 18 -13.710 6.649 7.710 1.00 0.00 C ATOM 226 CG PRO A 18 -14.640 7.041 8.806 1.00 0.00 C ATOM 227 CD PRO A 18 -15.378 5.789 9.190 1.00 0.00 C ATOM 0 HA PRO A 18 -13.133 4.591 7.155 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.839 7.304 7.677 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.196 6.714 6.736 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.092 7.447 9.656 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.331 7.815 8.473 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.619 5.775 10.253 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.319 5.695 8.648 1.00 0.00 H new ATOM 235 N CYS A 19 -10.908 4.883 8.110 1.00 0.00 N ATOM 236 CA CYS A 19 -9.591 4.825 8.731 1.00 0.00 C ATOM 237 C CYS A 19 -9.163 6.202 9.230 1.00 0.00 C ATOM 238 O CYS A 19 -9.289 7.209 8.532 1.00 0.00 O ATOM 239 CB CYS A 19 -8.559 4.287 7.738 1.00 0.00 C ATOM 240 SG CYS A 19 -7.048 3.632 8.517 1.00 0.00 S ATOM 0 H CYS A 19 -10.912 4.678 7.111 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.650 4.151 9.585 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.020 3.498 7.143 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.283 5.085 7.049 1.00 0.00 H new ATOM 245 N PRO A 20 -8.643 6.249 10.465 1.00 0.00 N ATOM 246 CA PRO A 20 -8.185 7.496 11.085 1.00 0.00 C ATOM 247 C PRO A 20 -6.922 8.040 10.427 1.00 0.00 C ATOM 248 O PRO A 20 -6.566 9.203 10.612 1.00 0.00 O ATOM 249 CB PRO A 20 -7.902 7.090 12.533 1.00 0.00 C ATOM 250 CG PRO A 20 -7.611 5.630 12.467 1.00 0.00 C ATOM 251 CD PRO A 20 -8.463 5.088 11.353 1.00 0.00 C ATOM 0 HA PRO A 20 -8.922 8.294 10.989 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.057 7.644 12.942 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.758 7.294 13.176 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.554 5.451 12.272 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.848 5.142 13.412 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.974 4.261 10.839 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.417 4.713 11.723 1.00 0.00 H new ATOM 259 N ASN A 21 -6.247 7.191 9.659 1.00 0.00 N ATOM 260 CA ASN A 21 -5.022 7.587 8.974 1.00 0.00 C ATOM 261 C ASN A 21 -5.333 8.479 7.776 1.00 0.00 C ATOM 262 O ASN A 21 -4.433 9.069 7.178 1.00 0.00 O ATOM 263 CB ASN A 21 -4.247 6.350 8.515 1.00 0.00 C ATOM 264 CG ASN A 21 -3.359 5.787 9.608 1.00 0.00 C ATOM 265 OD1 ASN A 21 -3.377 6.261 10.744 1.00 0.00 O ATOM 266 ND2 ASN A 21 -2.576 4.769 9.269 1.00 0.00 N ATOM 0 H ASN A 21 -6.528 6.224 9.495 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.409 8.152 9.676 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.951 5.583 8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.636 6.608 7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.957 4.349 9.962 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.593 4.408 8.315 1.00 0.00 H new ATOM 273 N ARG A 22 -6.613 8.572 7.431 1.00 0.00 N ATOM 274 CA ARG A 22 -7.044 9.392 6.304 1.00 0.00 C ATOM 275 C ARG A 22 -6.916 8.622 4.993 1.00 0.00 C ATOM 276 O ARG A 22 -6.829 9.216 3.918 1.00 0.00 O ATOM 277 CB ARG A 22 -6.217 10.677 6.236 1.00 0.00 C ATOM 278 CG ARG A 22 -5.091 10.624 5.216 1.00 0.00 C ATOM 279 CD ARG A 22 -3.885 11.428 5.676 1.00 0.00 C ATOM 280 NE ARG A 22 -3.192 12.063 4.558 1.00 0.00 N ATOM 281 CZ ARG A 22 -3.729 13.019 3.808 1.00 0.00 C ATOM 282 NH1 ARG A 22 -4.959 13.449 4.056 1.00 0.00 N ATOM 283 NH2 ARG A 22 -3.035 13.548 2.808 1.00 0.00 N ATOM 0 H ARG A 22 -7.370 8.090 7.915 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.092 9.650 6.453 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.876 11.511 5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.795 10.880 7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.797 9.588 5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.445 11.011 4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.207 12.192 6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.194 10.773 6.206 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.244 11.756 4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.495 13.046 4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.369 14.183 3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.089 13.221 2.615 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.448 14.282 2.233 1.00 0.00 H new ATOM 297 N CYS A 23 -6.904 7.297 5.089 1.00 0.00 N ATOM 298 CA CYS A 23 -6.786 6.445 3.912 1.00 0.00 C ATOM 299 C CYS A 23 -8.161 5.999 3.423 1.00 0.00 C ATOM 300 O CYS A 23 -9.054 5.681 4.209 1.00 0.00 O ATOM 301 CB CYS A 23 -5.922 5.222 4.226 1.00 0.00 C ATOM 302 SG CYS A 23 -6.854 3.804 4.888 1.00 0.00 S ATOM 0 H CYS A 23 -6.975 6.789 5.971 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.309 7.024 3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.406 4.912 3.317 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.155 5.507 4.946 1.00 0.00 H new ATOM 307 N PRO A 24 -8.337 5.973 2.094 1.00 0.00 N ATOM 308 CA PRO A 24 -9.600 5.566 1.470 1.00 0.00 C ATOM 309 C PRO A 24 -9.873 4.075 1.633 1.00 0.00 C ATOM 310 O PRO A 24 -9.913 3.331 0.654 1.00 0.00 O ATOM 311 CB PRO A 24 -9.394 5.913 -0.007 1.00 0.00 C ATOM 312 CG PRO A 24 -7.917 5.877 -0.202 1.00 0.00 C ATOM 313 CD PRO A 24 -7.316 6.338 1.097 1.00 0.00 C ATOM 0 HA PRO A 24 -10.457 6.063 1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.897 5.196 -0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.801 6.896 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.581 4.871 -0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.616 6.527 -1.024 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.365 5.845 1.297 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.124 7.411 1.093 1.00 0.00 H new ATOM 321 N MET A 25 -10.061 3.645 2.877 1.00 0.00 N ATOM 322 CA MET A 25 -10.333 2.242 3.168 1.00 0.00 C ATOM 323 C MET A 25 -11.096 2.097 4.480 1.00 0.00 C ATOM 324 O MET A 25 -10.693 2.642 5.508 1.00 0.00 O ATOM 325 CB MET A 25 -9.025 1.451 3.234 1.00 0.00 C ATOM 326 CG MET A 25 -8.703 0.702 1.951 1.00 0.00 C ATOM 327 SD MET A 25 -8.107 -0.973 2.256 1.00 0.00 S ATOM 328 CE MET A 25 -9.541 -1.704 3.041 1.00 0.00 C ATOM 0 H MET A 25 -10.030 4.248 3.699 1.00 0.00 H new ATOM 0 HA MET A 25 -10.951 1.842 2.364 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.207 2.135 3.461 1.00 0.00 H new ATOM 0 HB3 MET A 25 -9.082 0.738 4.057 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.595 0.658 1.327 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.949 1.255 1.391 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.250 -2.139 3.997 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.296 -0.936 3.206 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.950 -2.483 2.398 1.00 0.00 H new ATOM 338 N LYS A 26 -12.200 1.359 4.439 1.00 0.00 N ATOM 339 CA LYS A 26 -13.020 1.140 5.625 1.00 0.00 C ATOM 340 C LYS A 26 -12.958 -0.318 6.068 1.00 0.00 C ATOM 341 O LYS A 26 -13.150 -1.230 5.263 1.00 0.00 O ATOM 342 CB LYS A 26 -14.471 1.539 5.347 1.00 0.00 C ATOM 343 CG LYS A 26 -14.780 2.987 5.689 1.00 0.00 C ATOM 344 CD LYS A 26 -16.152 3.398 5.183 1.00 0.00 C ATOM 345 CE LYS A 26 -16.451 4.855 5.504 1.00 0.00 C ATOM 346 NZ LYS A 26 -17.801 5.263 5.025 1.00 0.00 N ATOM 0 H LYS A 26 -12.548 0.902 3.596 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.626 1.762 6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.690 1.369 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.134 0.890 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.733 3.125 6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.021 3.635 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.205 3.243 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.913 2.761 5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.386 5.010 6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.695 5.491 5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.967 6.262 5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.856 5.139 3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.525 4.674 5.483 1.00 0.00 H new ATOM 360 N LEU A 27 -12.690 -0.531 7.352 1.00 0.00 N ATOM 361 CA LEU A 27 -12.604 -1.879 7.902 1.00 0.00 C ATOM 362 C LEU A 27 -13.738 -2.136 8.891 1.00 0.00 C ATOM 363 O LEU A 27 -14.651 -2.914 8.614 1.00 0.00 O ATOM 364 CB LEU A 27 -11.255 -2.085 8.591 1.00 0.00 C ATOM 365 CG LEU A 27 -10.084 -1.277 8.030 1.00 0.00 C ATOM 366 CD1 LEU A 27 -10.172 -1.193 6.514 1.00 0.00 C ATOM 367 CD2 LEU A 27 -10.055 0.116 8.642 1.00 0.00 C ATOM 0 H LEU A 27 -12.529 0.213 8.031 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.696 -2.588 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.368 -1.839 9.647 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.000 -3.143 8.536 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.157 -1.787 8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.331 -0.614 6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.143 -2.197 6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.105 -0.707 6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.215 0.677 8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.985 0.635 8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.943 0.036 9.723 1.00 0.00 H new ATOM 379 N SER A 28 -13.672 -1.476 10.042 1.00 0.00 N ATOM 380 CA SER A 28 -14.692 -1.634 11.073 1.00 0.00 C ATOM 381 C SER A 28 -14.174 -1.159 12.427 1.00 0.00 C ATOM 382 O SER A 28 -13.020 -0.750 12.554 1.00 0.00 O ATOM 383 CB SER A 28 -15.130 -3.097 11.166 1.00 0.00 C ATOM 384 OG SER A 28 -15.711 -3.376 12.428 1.00 0.00 O ATOM 0 H SER A 28 -12.924 -0.827 10.285 1.00 0.00 H new ATOM 0 HA SER A 28 -15.551 -1.022 10.797 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.848 -3.316 10.375 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.271 -3.748 11.006 1.00 0.00 H new ATOM 0 HG SER A 28 -15.984 -4.317 12.462 1.00 0.00 H new ATOM 390 N ARG A 29 -15.036 -1.217 13.437 1.00 0.00 N ATOM 391 CA ARG A 29 -14.668 -0.793 14.782 1.00 0.00 C ATOM 392 C ARG A 29 -13.922 -1.902 15.517 1.00 0.00 C ATOM 393 O ARG A 29 -13.815 -1.885 16.744 1.00 0.00 O ATOM 394 CB ARG A 29 -15.914 -0.390 15.572 1.00 0.00 C ATOM 395 CG ARG A 29 -16.937 0.375 14.748 1.00 0.00 C ATOM 396 CD ARG A 29 -18.250 0.535 15.499 1.00 0.00 C ATOM 397 NE ARG A 29 -19.383 0.693 14.591 1.00 0.00 N ATOM 398 CZ ARG A 29 -20.527 1.272 14.938 1.00 0.00 C ATOM 399 NH1 ARG A 29 -20.688 1.746 16.166 1.00 0.00 N ATOM 400 NH2 ARG A 29 -21.513 1.378 14.056 1.00 0.00 N ATOM 0 H ARG A 29 -15.995 -1.554 13.349 1.00 0.00 H new ATOM 0 HA ARG A 29 -14.007 0.069 14.696 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.383 -1.287 15.976 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.613 0.223 16.422 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -16.540 1.358 14.494 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -17.115 -0.149 13.809 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -18.413 -0.336 16.134 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -18.188 1.402 16.156 1.00 0.00 H new ATOM 0 HE ARG A 29 -19.291 0.340 13.639 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -19.932 1.666 16.847 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -21.567 2.190 16.430 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -21.393 1.015 13.111 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -22.391 1.823 14.324 1.00 0.00 H new ATOM 414 N ARG A 30 -13.410 -2.867 14.760 1.00 0.00 N ATOM 415 CA ARG A 30 -12.676 -3.986 15.340 1.00 0.00 C ATOM 416 C ARG A 30 -11.364 -4.218 14.597 1.00 0.00 C ATOM 417 O ARG A 30 -10.318 -4.421 15.214 1.00 0.00 O ATOM 418 CB ARG A 30 -13.528 -5.256 15.302 1.00 0.00 C ATOM 419 CG ARG A 30 -14.566 -5.326 16.410 1.00 0.00 C ATOM 420 CD ARG A 30 -15.916 -4.805 15.942 1.00 0.00 C ATOM 421 NE ARG A 30 -16.996 -5.196 16.844 1.00 0.00 N ATOM 422 CZ ARG A 30 -17.486 -6.429 16.912 1.00 0.00 C ATOM 423 NH1 ARG A 30 -16.996 -7.385 16.135 1.00 0.00 N ATOM 424 NH2 ARG A 30 -18.470 -6.708 17.758 1.00 0.00 N ATOM 0 H ARG A 30 -13.490 -2.897 13.744 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.448 -3.741 16.377 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.033 -5.316 14.338 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.874 -6.125 15.373 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.670 -6.357 16.748 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.226 -4.743 17.266 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.880 -3.718 15.870 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.124 -5.184 14.942 1.00 0.00 H new ATOM 0 HE ARG A 30 -17.396 -4.484 17.455 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -16.241 -7.175 15.483 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -17.374 -8.331 16.190 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.851 -5.975 18.357 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.845 -7.655 17.809 1.00 0.00 H new ATOM 438 N ASP A 31 -11.427 -4.188 13.271 1.00 0.00 N ATOM 439 CA ASP A 31 -10.244 -4.395 12.444 1.00 0.00 C ATOM 440 C ASP A 31 -9.520 -3.076 12.190 1.00 0.00 C ATOM 441 O ASP A 31 -8.667 -2.984 11.307 1.00 0.00 O ATOM 442 CB ASP A 31 -10.632 -5.043 11.113 1.00 0.00 C ATOM 443 CG ASP A 31 -11.214 -6.431 11.293 1.00 0.00 C ATOM 444 OD1 ASP A 31 -10.634 -7.222 12.065 1.00 0.00 O ATOM 445 OD2 ASP A 31 -12.250 -6.725 10.661 1.00 0.00 O ATOM 0 H ASP A 31 -12.285 -4.022 12.745 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.569 -5.062 12.980 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.359 -4.411 10.603 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.753 -5.101 10.471 1.00 0.00 H new ATOM 450 N LEU A 32 -9.867 -2.058 12.970 1.00 0.00 N ATOM 451 CA LEU A 32 -9.252 -0.743 12.829 1.00 0.00 C ATOM 452 C LEU A 32 -7.767 -0.797 13.173 1.00 0.00 C ATOM 453 O LEU A 32 -6.913 -0.327 12.421 1.00 0.00 O ATOM 454 CB LEU A 32 -9.959 0.271 13.730 1.00 0.00 C ATOM 455 CG LEU A 32 -9.997 1.712 13.218 1.00 0.00 C ATOM 456 CD1 LEU A 32 -8.656 2.393 13.442 1.00 0.00 C ATOM 457 CD2 LEU A 32 -10.374 1.744 11.744 1.00 0.00 C ATOM 0 H LEU A 32 -10.571 -2.118 13.706 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.354 -0.430 11.790 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.984 -0.065 13.887 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.469 0.265 14.704 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.756 2.257 13.779 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.702 3.417 13.072 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.426 2.402 14.507 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.878 1.848 12.908 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.396 2.777 11.396 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.638 1.183 11.168 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.358 1.295 11.610 1.00 0.00 H new ATOM 469 N PRO A 33 -7.449 -1.386 14.336 1.00 0.00 N ATOM 470 CA PRO A 33 -6.067 -1.518 14.804 1.00 0.00 C ATOM 471 C PRO A 33 -5.264 -2.511 13.970 1.00 0.00 C ATOM 472 O PRO A 33 -4.094 -2.280 13.669 1.00 0.00 O ATOM 473 CB PRO A 33 -6.226 -2.030 16.238 1.00 0.00 C ATOM 474 CG PRO A 33 -7.545 -2.722 16.249 1.00 0.00 C ATOM 475 CD PRO A 33 -8.416 -1.968 15.282 1.00 0.00 C ATOM 0 HA PRO A 33 -5.520 -0.578 14.730 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.419 -2.712 16.507 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.203 -1.210 16.956 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.441 -3.765 15.949 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -7.979 -2.719 17.249 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.123 -2.628 14.779 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.001 -1.197 15.784 1.00 0.00 H new ATOM 483 N ALA A 34 -5.902 -3.616 13.598 1.00 0.00 N ATOM 484 CA ALA A 34 -5.248 -4.643 12.796 1.00 0.00 C ATOM 485 C ALA A 34 -5.031 -4.165 11.364 1.00 0.00 C ATOM 486 O ALA A 34 -4.335 -4.813 10.582 1.00 0.00 O ATOM 487 CB ALA A 34 -6.069 -5.924 12.808 1.00 0.00 C ATOM 0 H ALA A 34 -6.871 -3.823 13.839 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.272 -4.846 13.236 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.569 -6.682 12.205 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.169 -6.283 13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.058 -5.726 12.395 1.00 0.00 H new ATOM 493 N HIS A 35 -5.631 -3.028 11.027 1.00 0.00 N ATOM 494 CA HIS A 35 -5.502 -2.463 9.688 1.00 0.00 C ATOM 495 C HIS A 35 -4.415 -1.393 9.652 1.00 0.00 C ATOM 496 O HIS A 35 -3.647 -1.305 8.693 1.00 0.00 O ATOM 497 CB HIS A 35 -6.835 -1.869 9.232 1.00 0.00 C ATOM 498 CG HIS A 35 -6.713 -0.970 8.041 1.00 0.00 C ATOM 499 ND1 HIS A 35 -6.366 -1.425 6.786 1.00 0.00 N ATOM 500 CD2 HIS A 35 -6.897 0.366 7.917 1.00 0.00 C ATOM 501 CE1 HIS A 35 -6.339 -0.409 5.943 1.00 0.00 C ATOM 502 NE2 HIS A 35 -6.659 0.690 6.604 1.00 0.00 N ATOM 0 H HIS A 35 -6.211 -2.480 11.662 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.219 -3.266 9.007 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.523 -2.681 8.996 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.275 -1.308 10.057 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.162 -2.395 6.546 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.179 1.049 8.704 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.097 -0.466 4.892 1.00 0.00 H new ATOM 510 N LEU A 36 -4.357 -0.581 10.701 1.00 0.00 N ATOM 511 CA LEU A 36 -3.364 0.485 10.790 1.00 0.00 C ATOM 512 C LEU A 36 -1.990 -0.078 11.139 1.00 0.00 C ATOM 513 O LEU A 36 -0.999 0.651 11.164 1.00 0.00 O ATOM 514 CB LEU A 36 -3.787 1.517 11.837 1.00 0.00 C ATOM 515 CG LEU A 36 -5.102 2.247 11.567 1.00 0.00 C ATOM 516 CD1 LEU A 36 -5.742 2.695 12.872 1.00 0.00 C ATOM 517 CD2 LEU A 36 -4.873 3.438 10.647 1.00 0.00 C ATOM 0 H LEU A 36 -4.985 -0.640 11.502 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.300 0.970 9.816 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.865 1.015 12.802 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.994 2.260 11.927 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.783 1.556 11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.677 3.213 12.660 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.943 1.824 13.496 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.065 3.369 13.397 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.821 3.945 10.466 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.174 4.131 11.116 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.460 3.092 9.699 1.00 0.00 H new ATOM 529 N GLN A 37 -1.940 -1.379 11.406 1.00 0.00 N ATOM 530 CA GLN A 37 -0.687 -2.040 11.752 1.00 0.00 C ATOM 531 C GLN A 37 0.100 -2.405 10.498 1.00 0.00 C ATOM 532 O GLN A 37 1.138 -1.809 10.209 1.00 0.00 O ATOM 533 CB GLN A 37 -0.960 -3.296 12.582 1.00 0.00 C ATOM 534 CG GLN A 37 0.229 -4.239 12.668 1.00 0.00 C ATOM 535 CD GLN A 37 1.456 -3.578 13.265 1.00 0.00 C ATOM 536 OE1 GLN A 37 1.840 -2.479 12.865 1.00 0.00 O ATOM 537 NE2 GLN A 37 2.078 -4.246 14.229 1.00 0.00 N ATOM 0 H GLN A 37 -2.752 -1.996 11.389 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.090 -1.346 12.344 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.251 -2.999 13.590 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.806 -3.830 12.150 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.042 -5.105 13.271 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.469 -4.608 11.671 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.725 -5.154 14.530 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.909 -3.851 14.669 1.00 0.00 H new ATOM 546 N HIS A 38 -0.400 -3.389 9.757 1.00 0.00 N ATOM 547 CA HIS A 38 0.257 -3.834 8.534 1.00 0.00 C ATOM 548 C HIS A 38 -0.767 -4.107 7.436 1.00 0.00 C ATOM 549 O HIS A 38 -0.522 -4.904 6.530 1.00 0.00 O ATOM 550 CB HIS A 38 1.082 -5.093 8.802 1.00 0.00 C ATOM 551 CG HIS A 38 0.250 -6.307 9.081 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.531 -7.550 8.553 1.00 0.00 N ATOM 553 CD2 HIS A 38 -0.860 -6.464 9.838 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.371 -8.418 8.973 1.00 0.00 C ATOM 555 NE2 HIS A 38 -1.227 -7.785 9.755 1.00 0.00 N ATOM 0 H HIS A 38 -1.258 -3.893 9.982 1.00 0.00 H new ATOM 0 HA HIS A 38 0.922 -3.038 8.198 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.719 -5.290 7.940 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.741 -4.912 9.651 1.00 0.00 H new ATOM 0 HD1 HIS A 38 1.313 -7.765 7.935 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.364 -5.694 10.403 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.403 -9.467 8.720 1.00 0.00 H new ATOM 563 N ASP A 39 -1.913 -3.442 7.524 1.00 0.00 N ATOM 564 CA ASP A 39 -2.974 -3.613 6.538 1.00 0.00 C ATOM 565 C ASP A 39 -3.474 -2.261 6.038 1.00 0.00 C ATOM 566 O ASP A 39 -4.479 -2.181 5.332 1.00 0.00 O ATOM 567 CB ASP A 39 -4.134 -4.409 7.139 1.00 0.00 C ATOM 568 CG ASP A 39 -4.338 -5.744 6.450 1.00 0.00 C ATOM 569 OD1 ASP A 39 -3.870 -5.897 5.302 1.00 0.00 O ATOM 570 OD2 ASP A 39 -4.964 -6.636 7.059 1.00 0.00 O ATOM 0 H ASP A 39 -2.132 -2.779 8.268 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.565 -4.165 5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.945 -4.576 8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.050 -3.822 7.066 1.00 0.00 H new ATOM 575 N CYS A 40 -2.766 -1.200 6.410 1.00 0.00 N ATOM 576 CA CYS A 40 -3.137 0.149 6.002 1.00 0.00 C ATOM 577 C CYS A 40 -2.092 0.740 5.060 1.00 0.00 C ATOM 578 O CYS A 40 -0.887 0.647 5.294 1.00 0.00 O ATOM 579 CB CYS A 40 -3.301 1.049 7.228 1.00 0.00 C ATOM 580 SG CYS A 40 -3.689 2.784 6.830 1.00 0.00 S ATOM 0 H CYS A 40 -1.931 -1.249 6.994 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.088 0.092 5.472 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.094 0.646 7.858 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.382 1.018 7.813 1.00 0.00 H new ATOM 585 N PRO A 41 -2.562 1.362 3.969 1.00 0.00 N ATOM 586 CA PRO A 41 -1.685 1.980 2.970 1.00 0.00 C ATOM 587 C PRO A 41 -0.991 3.229 3.502 1.00 0.00 C ATOM 588 O PRO A 41 0.185 3.465 3.222 1.00 0.00 O ATOM 589 CB PRO A 41 -2.644 2.345 1.834 1.00 0.00 C ATOM 590 CG PRO A 41 -3.972 2.497 2.492 1.00 0.00 C ATOM 591 CD PRO A 41 -3.987 1.510 3.626 1.00 0.00 C ATOM 0 HA PRO A 41 -0.878 1.313 2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.339 3.268 1.340 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.667 1.567 1.071 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.112 3.514 2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.781 2.297 1.789 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.568 1.878 4.472 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.429 0.560 3.326 1.00 0.00 H new ATOM 599 N LYS A 42 -1.724 4.026 4.272 1.00 0.00 N ATOM 600 CA LYS A 42 -1.179 5.250 4.846 1.00 0.00 C ATOM 601 C LYS A 42 -0.790 5.041 6.306 1.00 0.00 C ATOM 602 O LYS A 42 -0.881 5.959 7.120 1.00 0.00 O ATOM 603 CB LYS A 42 -2.197 6.387 4.736 1.00 0.00 C ATOM 604 CG LYS A 42 -2.931 6.421 3.407 1.00 0.00 C ATOM 605 CD LYS A 42 -2.253 7.356 2.420 1.00 0.00 C ATOM 606 CE LYS A 42 -2.715 8.793 2.607 1.00 0.00 C ATOM 607 NZ LYS A 42 -1.851 9.533 3.568 1.00 0.00 N ATOM 0 H LYS A 42 -2.699 3.846 4.513 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.284 5.517 4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.925 6.290 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.684 7.338 4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.973 5.416 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.960 6.743 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.172 7.301 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.470 7.032 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.709 9.305 1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.745 8.800 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.614 10.466 3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.358 9.655 4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.976 8.995 3.734 1.00 0.00 H new ATOM 621 N ARG A 43 -0.355 3.827 6.629 1.00 0.00 N ATOM 622 CA ARG A 43 0.049 3.498 7.991 1.00 0.00 C ATOM 623 C ARG A 43 0.798 4.662 8.633 1.00 0.00 C ATOM 624 O ARG A 43 0.807 4.808 9.855 1.00 0.00 O ATOM 625 CB ARG A 43 0.929 2.246 7.996 1.00 0.00 C ATOM 626 CG ARG A 43 2.090 2.314 7.019 1.00 0.00 C ATOM 627 CD ARG A 43 1.831 1.464 5.785 1.00 0.00 C ATOM 628 NE ARG A 43 3.052 1.220 5.022 1.00 0.00 N ATOM 629 CZ ARG A 43 3.071 0.615 3.840 1.00 0.00 C ATOM 630 NH1 ARG A 43 1.941 0.194 3.288 1.00 0.00 N ATOM 631 NH2 ARG A 43 4.222 0.430 3.206 1.00 0.00 N ATOM 0 H ARG A 43 -0.273 3.056 5.967 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.852 3.303 8.573 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.320 2.091 9.002 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.314 1.379 7.756 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.256 3.349 6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.001 1.974 7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.395 0.511 6.086 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.099 1.962 5.149 1.00 0.00 H new ATOM 0 HE ARG A 43 3.939 1.531 5.419 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.054 0.335 3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.959 -0.270 2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.093 0.753 3.627 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.235 -0.035 2.298 1.00 0.00 H new ATOM 645 N ARG A 44 1.424 5.487 7.800 1.00 0.00 N ATOM 646 CA ARG A 44 2.177 6.637 8.286 1.00 0.00 C ATOM 647 C ARG A 44 3.198 6.213 9.338 1.00 0.00 C ATOM 648 O ARG A 44 3.242 6.770 10.436 1.00 0.00 O ATOM 649 CB ARG A 44 1.228 7.683 8.874 1.00 0.00 C ATOM 650 CG ARG A 44 0.878 8.801 7.905 1.00 0.00 C ATOM 651 CD ARG A 44 0.901 8.316 6.464 1.00 0.00 C ATOM 652 NE ARG A 44 2.159 8.640 5.797 1.00 0.00 N ATOM 653 CZ ARG A 44 2.570 9.882 5.567 1.00 0.00 C ATOM 654 NH1 ARG A 44 1.826 10.911 5.948 1.00 0.00 N ATOM 655 NH2 ARG A 44 3.728 10.097 4.955 1.00 0.00 N ATOM 0 H ARG A 44 1.425 5.380 6.786 1.00 0.00 H new ATOM 0 HA ARG A 44 2.710 7.074 7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.310 7.190 9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.684 8.115 9.765 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.111 9.193 8.142 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.584 9.623 8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.747 7.237 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.074 8.767 5.916 1.00 0.00 H new ATOM 0 HE ARG A 44 2.755 7.871 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.936 10.750 6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.144 11.864 5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.303 9.308 4.661 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.042 11.051 4.779 1.00 0.00 H new ATOM 669 N LEU A 45 4.017 5.225 8.995 1.00 0.00 N ATOM 670 CA LEU A 45 5.038 4.725 9.909 1.00 0.00 C ATOM 671 C LEU A 45 6.437 4.994 9.363 1.00 0.00 C ATOM 672 O LEU A 45 6.884 4.337 8.422 1.00 0.00 O ATOM 673 CB LEU A 45 4.850 3.225 10.145 1.00 0.00 C ATOM 674 CG LEU A 45 3.658 2.828 11.017 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.314 1.361 10.814 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.953 3.110 12.483 1.00 0.00 C ATOM 0 H LEU A 45 3.994 4.754 8.090 1.00 0.00 H new ATOM 0 HA LEU A 45 4.930 5.252 10.857 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.746 2.735 9.177 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.757 2.833 10.604 1.00 0.00 H new ATOM 0 HG LEU A 45 2.798 3.427 10.718 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.464 1.096 11.442 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.060 1.188 9.768 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.171 0.745 11.086 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.094 2.822 13.089 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.826 2.537 12.795 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.150 4.174 12.616 1.00 0.00 H new ATOM 688 N LYS A 46 7.124 5.962 9.959 1.00 0.00 N ATOM 689 CA LYS A 46 8.473 6.316 9.536 1.00 0.00 C ATOM 690 C LYS A 46 9.498 5.908 10.589 1.00 0.00 C ATOM 691 O LYS A 46 9.218 5.938 11.788 1.00 0.00 O ATOM 692 CB LYS A 46 8.569 7.820 9.272 1.00 0.00 C ATOM 693 CG LYS A 46 9.984 8.302 9.002 1.00 0.00 C ATOM 694 CD LYS A 46 10.000 9.742 8.517 1.00 0.00 C ATOM 695 CE LYS A 46 11.278 10.455 8.930 1.00 0.00 C ATOM 696 NZ LYS A 46 11.117 11.935 8.918 1.00 0.00 N ATOM 0 H LYS A 46 6.768 6.516 10.738 1.00 0.00 H new ATOM 0 HA LYS A 46 8.691 5.777 8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.940 8.071 8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.169 8.357 10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.578 8.217 9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.452 7.660 8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.905 9.762 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.139 10.273 8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.569 10.130 9.929 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.086 10.172 8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.010 12.384 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.865 12.249 7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.364 12.208 9.581 1.00 0.00 H new ATOM 710 N CYS A 47 10.688 5.527 10.134 1.00 0.00 N ATOM 711 CA CYS A 47 11.756 5.114 11.036 1.00 0.00 C ATOM 712 C CYS A 47 12.487 6.326 11.604 1.00 0.00 C ATOM 713 O CYS A 47 12.966 7.180 10.858 1.00 0.00 O ATOM 714 CB CYS A 47 12.745 4.203 10.306 1.00 0.00 C ATOM 715 SG CYS A 47 13.885 3.308 11.409 1.00 0.00 S ATOM 0 H CYS A 47 10.936 5.496 9.145 1.00 0.00 H new ATOM 0 HA CYS A 47 11.307 4.563 11.862 1.00 0.00 H new ATOM 0 HB2 CYS A 47 12.186 3.479 9.714 1.00 0.00 H new ATOM 0 HB3 CYS A 47 13.328 4.803 9.608 1.00 0.00 H new ATOM 720 N GLU A 48 12.570 6.393 12.929 1.00 0.00 N ATOM 721 CA GLU A 48 13.243 7.501 13.597 1.00 0.00 C ATOM 722 C GLU A 48 14.759 7.354 13.501 1.00 0.00 C ATOM 723 O GLU A 48 15.504 8.295 13.778 1.00 0.00 O ATOM 724 CB GLU A 48 12.818 7.575 15.065 1.00 0.00 C ATOM 725 CG GLU A 48 13.958 7.913 16.012 1.00 0.00 C ATOM 726 CD GLU A 48 14.453 9.337 15.844 1.00 0.00 C ATOM 727 OE1 GLU A 48 13.677 10.179 15.344 1.00 0.00 O ATOM 728 OE2 GLU A 48 15.615 9.608 16.211 1.00 0.00 O ATOM 0 H GLU A 48 12.180 5.694 13.561 1.00 0.00 H new ATOM 0 HA GLU A 48 12.953 8.424 13.096 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.035 8.325 15.170 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.385 6.619 15.358 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.627 7.766 17.040 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.784 7.223 15.841 1.00 0.00 H new ATOM 735 N PHE A 49 15.209 6.167 13.109 1.00 0.00 N ATOM 736 CA PHE A 49 16.635 5.895 12.978 1.00 0.00 C ATOM 737 C PHE A 49 17.167 6.411 11.644 1.00 0.00 C ATOM 738 O PHE A 49 17.991 7.326 11.603 1.00 0.00 O ATOM 739 CB PHE A 49 16.903 4.393 13.100 1.00 0.00 C ATOM 740 CG PHE A 49 16.812 3.881 14.509 1.00 0.00 C ATOM 741 CD1 PHE A 49 16.354 4.699 15.529 1.00 0.00 C ATOM 742 CD2 PHE A 49 17.185 2.582 14.813 1.00 0.00 C ATOM 743 CE1 PHE A 49 16.270 4.230 16.827 1.00 0.00 C ATOM 744 CE2 PHE A 49 17.103 2.107 16.109 1.00 0.00 C ATOM 745 CZ PHE A 49 16.644 2.932 17.117 1.00 0.00 C ATOM 0 H PHE A 49 14.606 5.378 12.876 1.00 0.00 H new ATOM 0 HA PHE A 49 17.154 6.416 13.782 1.00 0.00 H new ATOM 0 HB2 PHE A 49 16.189 3.853 12.479 1.00 0.00 H new ATOM 0 HB3 PHE A 49 17.896 4.176 12.706 1.00 0.00 H new ATOM 0 HD1 PHE A 49 16.059 5.714 15.308 1.00 0.00 H new ATOM 0 HD2 PHE A 49 17.544 1.933 14.028 1.00 0.00 H new ATOM 0 HE1 PHE A 49 15.912 4.878 17.614 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.397 1.092 16.333 1.00 0.00 H new ATOM 0 HZ PHE A 49 16.578 2.563 18.130 1.00 0.00 H new ATOM 755 N CYS A 50 16.691 5.818 10.555 1.00 0.00 N ATOM 756 CA CYS A 50 17.117 6.215 9.218 1.00 0.00 C ATOM 757 C CYS A 50 16.251 7.353 8.686 1.00 0.00 C ATOM 758 O CYS A 50 16.762 8.367 8.213 1.00 0.00 O ATOM 759 CB CYS A 50 17.053 5.021 8.264 1.00 0.00 C ATOM 760 SG CYS A 50 15.431 4.193 8.217 1.00 0.00 S ATOM 0 H CYS A 50 16.009 5.060 10.572 1.00 0.00 H new ATOM 0 HA CYS A 50 18.147 6.566 9.281 1.00 0.00 H new ATOM 0 HB2 CYS A 50 17.306 5.359 7.259 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.811 4.295 8.557 1.00 0.00 H new ATOM 765 N GLY A 51 14.936 7.176 8.768 1.00 0.00 N ATOM 766 CA GLY A 51 14.019 8.195 8.292 1.00 0.00 C ATOM 767 C GLY A 51 13.291 7.776 7.030 1.00 0.00 C ATOM 768 O GLY A 51 13.123 8.575 6.108 1.00 0.00 O ATOM 0 H GLY A 51 14.489 6.345 9.156 1.00 0.00 H new ATOM 0 HA2 GLY A 51 13.290 8.416 9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 51 14.571 9.115 8.101 1.00 0.00 H new ATOM 772 N CYS A 52 12.860 6.520 6.987 1.00 0.00 N ATOM 773 CA CYS A 52 12.148 5.996 5.827 1.00 0.00 C ATOM 774 C CYS A 52 10.779 5.455 6.228 1.00 0.00 C ATOM 775 O CYS A 52 10.478 5.317 7.413 1.00 0.00 O ATOM 776 CB CYS A 52 12.968 4.894 5.155 1.00 0.00 C ATOM 777 SG CYS A 52 14.532 5.464 4.448 1.00 0.00 S ATOM 0 H CYS A 52 12.991 5.846 7.741 1.00 0.00 H new ATOM 0 HA CYS A 52 12.003 6.813 5.121 1.00 0.00 H new ATOM 0 HB2 CYS A 52 13.176 4.113 5.887 1.00 0.00 H new ATOM 0 HB3 CYS A 52 12.369 4.440 4.366 1.00 0.00 H new ATOM 0 HG CYS A 52 15.154 4.460 3.905 1.00 0.00 H new ATOM 783 N ASP A 53 9.954 5.151 5.232 1.00 0.00 N ATOM 784 CA ASP A 53 8.617 4.626 5.480 1.00 0.00 C ATOM 785 C ASP A 53 8.621 3.101 5.469 1.00 0.00 C ATOM 786 O ASP A 53 9.348 2.477 4.695 1.00 0.00 O ATOM 787 CB ASP A 53 7.636 5.153 4.431 1.00 0.00 C ATOM 788 CG ASP A 53 7.704 4.374 3.132 1.00 0.00 C ATOM 789 OD1 ASP A 53 8.825 4.163 2.626 1.00 0.00 O ATOM 790 OD2 ASP A 53 6.635 3.978 2.621 1.00 0.00 O ATOM 0 H ASP A 53 10.188 5.259 4.245 1.00 0.00 H new ATOM 0 HA ASP A 53 8.299 4.964 6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.622 5.103 4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.850 6.203 4.233 1.00 0.00 H new ATOM 795 N PHE A 54 7.807 2.506 6.334 1.00 0.00 N ATOM 796 CA PHE A 54 7.718 1.053 6.425 1.00 0.00 C ATOM 797 C PHE A 54 6.315 0.618 6.839 1.00 0.00 C ATOM 798 O PHE A 54 5.416 1.446 6.989 1.00 0.00 O ATOM 799 CB PHE A 54 8.745 0.520 7.427 1.00 0.00 C ATOM 800 CG PHE A 54 10.166 0.660 6.960 1.00 0.00 C ATOM 801 CD1 PHE A 54 10.698 -0.231 6.042 1.00 0.00 C ATOM 802 CD2 PHE A 54 10.968 1.683 7.439 1.00 0.00 C ATOM 803 CE1 PHE A 54 12.006 -0.104 5.612 1.00 0.00 C ATOM 804 CE2 PHE A 54 12.277 1.815 7.012 1.00 0.00 C ATOM 805 CZ PHE A 54 12.795 0.920 6.096 1.00 0.00 C ATOM 0 H PHE A 54 7.199 3.007 6.982 1.00 0.00 H new ATOM 0 HA PHE A 54 7.932 0.639 5.440 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.628 1.050 8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.537 -0.532 7.623 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.085 -1.033 5.658 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.566 2.386 8.154 1.00 0.00 H new ATOM 0 HE1 PHE A 54 12.410 -0.806 4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.893 2.616 7.394 1.00 0.00 H new ATOM 0 HZ PHE A 54 13.816 1.021 5.759 1.00 0.00 H new ATOM 815 N SER A 55 6.135 -0.686 7.021 1.00 0.00 N ATOM 816 CA SER A 55 4.841 -1.232 7.413 1.00 0.00 C ATOM 817 C SER A 55 4.914 -1.856 8.803 1.00 0.00 C ATOM 818 O SER A 55 5.965 -1.856 9.442 1.00 0.00 O ATOM 819 CB SER A 55 4.376 -2.277 6.397 1.00 0.00 C ATOM 820 OG SER A 55 4.767 -1.919 5.082 1.00 0.00 O ATOM 0 H SER A 55 6.869 -1.384 6.903 1.00 0.00 H new ATOM 0 HA SER A 55 4.121 -0.414 7.438 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.796 -3.250 6.653 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.292 -2.376 6.443 1.00 0.00 H new ATOM 0 HG SER A 55 4.460 -2.603 4.452 1.00 0.00 H new ATOM 826 N GLY A 56 3.786 -2.388 9.266 1.00 0.00 N ATOM 827 CA GLY A 56 3.742 -3.007 10.578 1.00 0.00 C ATOM 828 C GLY A 56 4.685 -4.188 10.693 1.00 0.00 C ATOM 829 O GLY A 56 5.640 -4.153 11.468 1.00 0.00 O ATOM 0 H GLY A 56 2.903 -2.401 8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.999 -2.266 11.335 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.724 -3.337 10.787 1.00 0.00 H new ATOM 833 N GLU A 57 4.417 -5.236 9.922 1.00 0.00 N ATOM 834 CA GLU A 57 5.249 -6.433 9.944 1.00 0.00 C ATOM 835 C GLU A 57 6.666 -6.120 9.473 1.00 0.00 C ATOM 836 O GLU A 57 7.638 -6.683 9.976 1.00 0.00 O ATOM 837 CB GLU A 57 4.637 -7.524 9.062 1.00 0.00 C ATOM 838 CG GLU A 57 4.729 -7.227 7.575 1.00 0.00 C ATOM 839 CD GLU A 57 3.672 -7.955 6.767 1.00 0.00 C ATOM 840 OE1 GLU A 57 3.754 -9.198 6.669 1.00 0.00 O ATOM 841 OE2 GLU A 57 2.764 -7.284 6.235 1.00 0.00 O ATOM 0 H GLU A 57 3.630 -5.281 9.274 1.00 0.00 H new ATOM 0 HA GLU A 57 5.297 -6.791 10.972 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.139 -8.469 9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.589 -7.654 9.334 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.627 -6.154 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.717 -7.510 7.212 1.00 0.00 H new ATOM 848 N ALA A 58 6.775 -5.217 8.504 1.00 0.00 N ATOM 849 CA ALA A 58 8.073 -4.826 7.966 1.00 0.00 C ATOM 850 C ALA A 58 8.932 -4.159 9.035 1.00 0.00 C ATOM 851 O ALA A 58 10.060 -4.582 9.292 1.00 0.00 O ATOM 852 CB ALA A 58 7.892 -3.897 6.775 1.00 0.00 C ATOM 0 H ALA A 58 5.980 -4.742 8.075 1.00 0.00 H new ATOM 0 HA ALA A 58 8.588 -5.728 7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.869 -3.613 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.324 -4.408 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.353 -3.003 7.089 1.00 0.00 H new ATOM 858 N TYR A 59 8.393 -3.115 9.654 1.00 0.00 N ATOM 859 CA TYR A 59 9.112 -2.387 10.693 1.00 0.00 C ATOM 860 C TYR A 59 9.631 -3.340 11.766 1.00 0.00 C ATOM 861 O TYR A 59 10.738 -3.173 12.276 1.00 0.00 O ATOM 862 CB TYR A 59 8.203 -1.333 11.328 1.00 0.00 C ATOM 863 CG TYR A 59 8.908 -0.456 12.339 1.00 0.00 C ATOM 864 CD1 TYR A 59 9.284 -0.957 13.579 1.00 0.00 C ATOM 865 CD2 TYR A 59 9.198 0.872 12.053 1.00 0.00 C ATOM 866 CE1 TYR A 59 9.927 -0.159 14.506 1.00 0.00 C ATOM 867 CE2 TYR A 59 9.843 1.676 12.973 1.00 0.00 C ATOM 868 CZ TYR A 59 10.205 1.157 14.198 1.00 0.00 C ATOM 869 OH TYR A 59 10.846 1.954 15.117 1.00 0.00 O ATOM 0 H TYR A 59 7.460 -2.754 9.454 1.00 0.00 H new ATOM 0 HA TYR A 59 9.965 -1.891 10.230 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.786 -0.704 10.542 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.365 -1.833 11.814 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.070 -1.987 13.823 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.915 1.283 11.095 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.210 -0.563 15.467 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.063 2.706 12.734 1.00 0.00 H new ATOM 0 HH TYR A 59 10.967 2.852 14.743 1.00 0.00 H new ATOM 879 N GLU A 60 8.821 -4.340 12.102 1.00 0.00 N ATOM 880 CA GLU A 60 9.198 -5.320 13.114 1.00 0.00 C ATOM 881 C GLU A 60 10.645 -5.768 12.925 1.00 0.00 C ATOM 882 O GLU A 60 11.467 -5.648 13.833 1.00 0.00 O ATOM 883 CB GLU A 60 8.266 -6.531 13.055 1.00 0.00 C ATOM 884 CG GLU A 60 8.067 -7.212 14.399 1.00 0.00 C ATOM 885 CD GLU A 60 7.811 -8.701 14.266 1.00 0.00 C ATOM 886 OE1 GLU A 60 7.692 -9.182 13.120 1.00 0.00 O ATOM 887 OE2 GLU A 60 7.730 -9.385 15.308 1.00 0.00 O ATOM 0 H GLU A 60 7.901 -4.492 11.689 1.00 0.00 H new ATOM 0 HA GLU A 60 9.107 -4.848 14.092 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.296 -6.214 12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.669 -7.255 12.347 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.951 -7.053 15.017 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.228 -6.748 14.917 1.00 0.00 H new ATOM 894 N SER A 61 10.947 -6.286 11.739 1.00 0.00 N ATOM 895 CA SER A 61 12.292 -6.757 11.431 1.00 0.00 C ATOM 896 C SER A 61 13.261 -5.586 11.299 1.00 0.00 C ATOM 897 O SER A 61 14.398 -5.650 11.767 1.00 0.00 O ATOM 898 CB SER A 61 12.286 -7.576 10.138 1.00 0.00 C ATOM 899 OG SER A 61 11.824 -8.895 10.373 1.00 0.00 O ATOM 0 H SER A 61 10.278 -6.390 10.976 1.00 0.00 H new ATOM 0 HA SER A 61 12.624 -7.391 12.253 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.649 -7.090 9.399 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.292 -7.609 9.720 1.00 0.00 H new ATOM 0 HG SER A 61 11.828 -9.398 9.532 1.00 0.00 H new ATOM 905 N HIS A 62 12.802 -4.516 10.657 1.00 0.00 N ATOM 906 CA HIS A 62 13.627 -3.329 10.463 1.00 0.00 C ATOM 907 C HIS A 62 14.000 -2.702 11.802 1.00 0.00 C ATOM 908 O HIS A 62 14.924 -1.893 11.883 1.00 0.00 O ATOM 909 CB HIS A 62 12.891 -2.307 9.595 1.00 0.00 C ATOM 910 CG HIS A 62 13.725 -1.116 9.236 1.00 0.00 C ATOM 911 ND1 HIS A 62 14.534 -1.072 8.121 1.00 0.00 N ATOM 912 CD2 HIS A 62 13.870 0.081 9.851 1.00 0.00 C ATOM 913 CE1 HIS A 62 15.142 0.100 8.066 1.00 0.00 C ATOM 914 NE2 HIS A 62 14.756 0.818 9.105 1.00 0.00 N ATOM 0 H HIS A 62 11.864 -4.447 10.263 1.00 0.00 H new ATOM 0 HA HIS A 62 14.543 -3.632 9.956 1.00 0.00 H new ATOM 0 HB2 HIS A 62 12.555 -2.794 8.680 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.999 -1.970 10.122 1.00 0.00 H new ATOM 0 HD1 HIS A 62 14.646 -1.827 7.444 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.380 0.398 10.760 1.00 0.00 H new ATOM 0 HE1 HIS A 62 15.836 0.417 7.302 1.00 0.00 H new ATOM 922 N GLU A 63 13.274 -3.080 12.850 1.00 0.00 N ATOM 923 CA GLU A 63 13.529 -2.552 14.185 1.00 0.00 C ATOM 924 C GLU A 63 15.021 -2.320 14.403 1.00 0.00 C ATOM 925 O GLU A 63 15.525 -1.217 14.200 1.00 0.00 O ATOM 926 CB GLU A 63 12.990 -3.511 15.248 1.00 0.00 C ATOM 927 CG GLU A 63 13.456 -3.183 16.657 1.00 0.00 C ATOM 928 CD GLU A 63 13.146 -1.753 17.055 1.00 0.00 C ATOM 929 OE1 GLU A 63 11.989 -1.483 17.441 1.00 0.00 O ATOM 930 OE2 GLU A 63 14.059 -0.905 16.982 1.00 0.00 O ATOM 0 H GLU A 63 12.506 -3.749 12.800 1.00 0.00 H new ATOM 0 HA GLU A 63 13.014 -1.596 14.274 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.900 -3.494 15.222 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.299 -4.526 14.999 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.979 -3.864 17.362 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.530 -3.352 16.729 1.00 0.00 H new ATOM 937 N GLY A 64 15.723 -3.370 14.819 1.00 0.00 N ATOM 938 CA GLY A 64 17.150 -3.261 15.059 1.00 0.00 C ATOM 939 C GLY A 64 17.963 -3.393 13.787 1.00 0.00 C ATOM 940 O GLY A 64 19.159 -3.102 13.774 1.00 0.00 O ATOM 0 H GLY A 64 15.329 -4.294 14.994 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.364 -2.300 15.526 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.457 -4.033 15.764 1.00 0.00 H new ATOM 944 N MET A 65 17.314 -3.833 12.714 1.00 0.00 N ATOM 945 CA MET A 65 17.985 -4.003 11.431 1.00 0.00 C ATOM 946 C MET A 65 17.888 -2.731 10.594 1.00 0.00 C ATOM 947 O MET A 65 17.621 -2.786 9.393 1.00 0.00 O ATOM 948 CB MET A 65 17.378 -5.180 10.665 1.00 0.00 C ATOM 949 CG MET A 65 18.361 -5.871 9.734 1.00 0.00 C ATOM 950 SD MET A 65 18.388 -5.142 8.085 1.00 0.00 S ATOM 951 CE MET A 65 17.450 -6.357 7.163 1.00 0.00 C ATOM 0 H MET A 65 16.324 -4.078 12.708 1.00 0.00 H new ATOM 0 HA MET A 65 19.038 -4.210 11.624 1.00 0.00 H new ATOM 0 HB2 MET A 65 16.993 -5.908 11.379 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.528 -4.824 10.083 1.00 0.00 H new ATOM 0 HG2 MET A 65 19.361 -5.820 10.166 1.00 0.00 H new ATOM 0 HG3 MET A 65 18.101 -6.927 9.656 1.00 0.00 H new ATOM 0 HE1 MET A 65 17.379 -6.047 6.120 1.00 0.00 H new ATOM 0 HE2 MET A 65 17.951 -7.323 7.221 1.00 0.00 H new ATOM 0 HE3 MET A 65 16.449 -6.441 7.586 1.00 0.00 H new ATOM 961 N CYS A 66 18.105 -1.588 11.235 1.00 0.00 N ATOM 962 CA CYS A 66 18.040 -0.302 10.550 1.00 0.00 C ATOM 963 C CYS A 66 19.395 0.062 9.950 1.00 0.00 C ATOM 964 O CYS A 66 20.443 -0.105 10.573 1.00 0.00 O ATOM 965 CB CYS A 66 17.587 0.792 11.518 1.00 0.00 C ATOM 966 SG CYS A 66 17.594 2.467 10.801 1.00 0.00 S ATOM 0 H CYS A 66 18.328 -1.526 12.228 1.00 0.00 H new ATOM 0 HA CYS A 66 17.314 -0.384 9.741 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.580 0.561 11.865 1.00 0.00 H new ATOM 0 HB3 CYS A 66 18.237 0.780 12.393 1.00 0.00 H new ATOM 971 N PRO A 67 19.374 0.573 8.710 1.00 0.00 N ATOM 972 CA PRO A 67 20.591 0.974 7.998 1.00 0.00 C ATOM 973 C PRO A 67 21.236 2.215 8.604 1.00 0.00 C ATOM 974 O PRO A 67 22.459 2.349 8.612 1.00 0.00 O ATOM 975 CB PRO A 67 20.093 1.268 6.581 1.00 0.00 C ATOM 976 CG PRO A 67 18.656 1.623 6.750 1.00 0.00 C ATOM 977 CD PRO A 67 18.160 0.800 7.907 1.00 0.00 C ATOM 0 HA PRO A 67 21.361 0.204 8.043 1.00 0.00 H new ATOM 0 HB2 PRO A 67 20.652 2.086 6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 67 20.213 0.401 5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.538 2.688 6.950 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.091 1.404 5.844 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.395 1.327 8.476 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.718 -0.139 7.572 1.00 0.00 H new ATOM 985 N GLN A 68 20.405 3.120 9.111 1.00 0.00 N ATOM 986 CA GLN A 68 20.895 4.351 9.719 1.00 0.00 C ATOM 987 C GLN A 68 20.412 4.476 11.161 1.00 0.00 C ATOM 988 O GLN A 68 19.427 5.160 11.437 1.00 0.00 O ATOM 989 CB GLN A 68 20.436 5.564 8.908 1.00 0.00 C ATOM 990 CG GLN A 68 21.410 5.967 7.812 1.00 0.00 C ATOM 991 CD GLN A 68 21.448 4.971 6.670 1.00 0.00 C ATOM 992 OE1 GLN A 68 22.518 4.531 6.250 1.00 0.00 O ATOM 993 NE2 GLN A 68 20.276 4.609 6.161 1.00 0.00 N ATOM 0 H GLN A 68 19.390 3.024 9.113 1.00 0.00 H new ATOM 0 HA GLN A 68 21.984 4.316 9.722 1.00 0.00 H new ATOM 0 HB2 GLN A 68 19.467 5.345 8.459 1.00 0.00 H new ATOM 0 HB3 GLN A 68 20.291 6.408 9.582 1.00 0.00 H new ATOM 0 HG2 GLN A 68 21.131 6.947 7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 68 22.409 6.065 8.237 1.00 0.00 H new ATOM 0 HE21 GLN A 68 19.413 4.999 6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 68 20.239 3.941 5.391 1.00 0.00 H new ATOM 1002 N GLU A 69 21.113 3.811 12.074 1.00 0.00 N ATOM 1003 CA GLU A 69 20.754 3.848 13.487 1.00 0.00 C ATOM 1004 C GLU A 69 21.662 4.804 14.255 1.00 0.00 C ATOM 1005 O GLU A 69 21.192 5.749 14.888 1.00 0.00 O ATOM 1006 CB GLU A 69 20.841 2.446 14.094 1.00 0.00 C ATOM 1007 CG GLU A 69 20.280 2.358 15.504 1.00 0.00 C ATOM 1008 CD GLU A 69 21.304 2.715 16.563 1.00 0.00 C ATOM 1009 OE1 GLU A 69 22.327 2.005 16.662 1.00 0.00 O ATOM 1010 OE2 GLU A 69 21.084 3.704 17.292 1.00 0.00 O ATOM 0 H GLU A 69 21.932 3.241 11.861 1.00 0.00 H new ATOM 0 HA GLU A 69 19.728 4.208 13.566 1.00 0.00 H new ATOM 0 HB2 GLU A 69 20.302 1.748 13.453 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.884 2.128 14.106 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.423 3.026 15.592 1.00 0.00 H new ATOM 0 HG3 GLU A 69 19.915 1.347 15.683 1.00 0.00 H new ATOM 1017 N SER A 70 22.965 4.551 14.193 1.00 0.00 N ATOM 1018 CA SER A 70 23.940 5.386 14.885 1.00 0.00 C ATOM 1019 C SER A 70 24.394 6.541 13.998 1.00 0.00 C ATOM 1020 O SER A 70 25.037 7.481 14.464 1.00 0.00 O ATOM 1021 CB SER A 70 25.148 4.550 15.311 1.00 0.00 C ATOM 1022 OG SER A 70 24.816 3.682 16.381 1.00 0.00 O ATOM 0 H SER A 70 23.370 3.774 13.671 1.00 0.00 H new ATOM 0 HA SER A 70 23.462 5.799 15.773 1.00 0.00 H new ATOM 0 HB2 SER A 70 25.507 3.966 14.463 1.00 0.00 H new ATOM 0 HB3 SER A 70 25.962 5.209 15.612 1.00 0.00 H new ATOM 0 HG SER A 70 23.945 3.267 16.208 1.00 0.00 H new ATOM 1028 N SER A 71 24.055 6.462 12.715 1.00 0.00 N ATOM 1029 CA SER A 71 24.430 7.498 11.760 1.00 0.00 C ATOM 1030 C SER A 71 23.281 7.795 10.802 1.00 0.00 C ATOM 1031 O SER A 71 22.623 6.884 10.301 1.00 0.00 O ATOM 1032 CB SER A 71 25.669 7.069 10.971 1.00 0.00 C ATOM 1033 OG SER A 71 26.665 6.544 11.831 1.00 0.00 O ATOM 0 H SER A 71 23.521 5.691 12.313 1.00 0.00 H new ATOM 0 HA SER A 71 24.659 8.406 12.318 1.00 0.00 H new ATOM 0 HB2 SER A 71 25.391 6.319 10.231 1.00 0.00 H new ATOM 0 HB3 SER A 71 26.069 7.923 10.424 1.00 0.00 H new ATOM 0 HG SER A 71 27.445 6.276 11.302 1.00 0.00 H new ATOM 1039 N GLY A 72 23.045 9.080 10.551 1.00 0.00 N ATOM 1040 CA GLY A 72 21.975 9.476 9.654 1.00 0.00 C ATOM 1041 C GLY A 72 22.260 9.105 8.212 1.00 0.00 C ATOM 1042 O GLY A 72 23.271 8.476 7.899 1.00 0.00 O ATOM 0 H GLY A 72 23.576 9.853 10.953 1.00 0.00 H new ATOM 0 HA2 GLY A 72 21.046 9.003 9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.825 10.553 9.726 1.00 0.00 H new ATOM 1046 N PRO A 73 21.352 9.497 7.306 1.00 0.00 N ATOM 1047 CA PRO A 73 21.488 9.211 5.875 1.00 0.00 C ATOM 1048 C PRO A 73 22.619 10.005 5.230 1.00 0.00 C ATOM 1049 O PRO A 73 23.031 9.716 4.107 1.00 0.00 O ATOM 1050 CB PRO A 73 20.137 9.640 5.297 1.00 0.00 C ATOM 1051 CG PRO A 73 19.624 10.663 6.252 1.00 0.00 C ATOM 1052 CD PRO A 73 20.123 10.250 7.609 1.00 0.00 C ATOM 0 HA PRO A 73 21.733 8.165 5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 73 20.249 10.054 4.295 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.454 8.794 5.218 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.985 11.657 5.990 1.00 0.00 H new ATOM 0 HG3 PRO A 73 18.535 10.704 6.232 1.00 0.00 H new ATOM 0 HD2 PRO A 73 20.327 11.114 8.242 1.00 0.00 H new ATOM 0 HD3 PRO A 73 19.394 9.634 8.135 1.00 0.00 H new ATOM 1060 N SER A 74 23.116 11.007 5.947 1.00 0.00 N ATOM 1061 CA SER A 74 24.198 11.845 5.443 1.00 0.00 C ATOM 1062 C SER A 74 23.888 12.342 4.034 1.00 0.00 C ATOM 1063 O SER A 74 24.795 12.615 3.247 1.00 0.00 O ATOM 1064 CB SER A 74 25.516 11.069 5.444 1.00 0.00 C ATOM 1065 OG SER A 74 25.308 9.709 5.103 1.00 0.00 O ATOM 0 H SER A 74 22.787 11.259 6.879 1.00 0.00 H new ATOM 0 HA SER A 74 24.293 12.708 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 74 26.209 11.523 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 74 25.979 11.133 6.429 1.00 0.00 H new ATOM 0 HG SER A 74 24.810 9.655 4.261 1.00 0.00 H new ATOM 1071 N SER A 75 22.601 12.456 3.723 1.00 0.00 N ATOM 1072 CA SER A 75 22.170 12.916 2.408 1.00 0.00 C ATOM 1073 C SER A 75 22.522 14.386 2.205 1.00 0.00 C ATOM 1074 O SER A 75 23.006 15.053 3.119 1.00 0.00 O ATOM 1075 CB SER A 75 20.663 12.713 2.242 1.00 0.00 C ATOM 1076 OG SER A 75 20.352 11.345 2.038 1.00 0.00 O ATOM 0 H SER A 75 21.838 12.236 4.364 1.00 0.00 H new ATOM 0 HA SER A 75 22.694 12.327 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.144 13.079 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 75 20.305 13.301 1.397 1.00 0.00 H new ATOM 0 HG SER A 75 19.383 11.241 1.936 1.00 0.00 H new ATOM 1082 N GLY A 76 22.275 14.886 0.998 1.00 0.00 N ATOM 1083 CA GLY A 76 22.571 16.274 0.695 1.00 0.00 C ATOM 1084 C GLY A 76 21.430 16.968 -0.022 1.00 0.00 C ATOM 1085 O GLY A 76 20.284 16.544 0.124 1.00 0.00 O ATOM 0 H GLY A 76 21.875 14.354 0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 76 22.791 16.806 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 76 23.468 16.324 0.078 1.00 0.00 H new TER 1089 GLY A 76 HETATM 1090 ZN ZN A 201 -6.028 2.645 6.633 1.00 0.00 ZN HETATM 1091 ZN ZN A 401 15.466 2.543 9.847 1.00 0.00 ZN