USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 TYR OH : rot 15:sc= -0.607 USER MOD Set 1.2: A 11 TYR OH : rot 53:sc= -0.803 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -159:sc= -0.0104 (180deg=-0.257) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 151:sc= -0.223 (180deg=-1.2) USER MOD Single : A 10 ASN : amide:sc= 0.816 K(o=0.82,f=-0.24) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc=-0.00725 X(o=-0.0072,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.24) USER MOD Single : A 21 GLN : amide:sc= -0.47 K(o=-0.47,f=-1.2) USER MOD Single : A 23 ASN : amide:sc= -0.0952 K(o=-0.095,f=-4.7!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.03 K(o=-1,f=-2.3) USER MOD Single : A 46 GLN : amide:sc= -2.1 K(o=-2.1,f=-8!) USER MOD Single : A 51 TYR OH : rot 38:sc= 0.412 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 4.648 -1.103 -0.324 1.00 0.00 N ATOM 2 CA GLN A 1 3.953 0.075 -0.830 1.00 0.00 C ATOM 3 C GLN A 1 4.643 0.622 -2.075 1.00 0.00 C ATOM 4 O GLN A 1 4.046 0.687 -3.149 1.00 0.00 O ATOM 5 CB GLN A 1 3.888 1.157 0.249 1.00 0.00 C ATOM 6 CG GLN A 1 2.951 0.817 1.397 1.00 0.00 C ATOM 7 CD GLN A 1 1.544 1.334 1.175 1.00 0.00 C ATOM 8 OE1 GLN A 1 1.260 2.511 1.400 1.00 0.00 O ATOM 9 NE2 GLN A 1 0.653 0.455 0.731 1.00 0.00 N ATOM 0 H1 GLN A 1 4.002 -1.658 0.273 1.00 0.00 H new ATOM 0 H2 GLN A 1 4.968 -1.687 -1.123 1.00 0.00 H new ATOM 0 H3 GLN A 1 5.470 -0.806 0.239 1.00 0.00 H new ATOM 0 HA GLN A 1 2.939 -0.220 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 1 4.890 1.323 0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.566 2.094 -0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 1 2.920 -0.265 1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 1 3.347 1.238 2.321 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.932 -0.511 0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -0.310 0.746 0.563 1.00 0.00 H new ATOM 18 N ASP A 2 5.903 1.015 -1.922 1.00 0.00 N ATOM 19 CA ASP A 2 6.675 1.556 -3.035 1.00 0.00 C ATOM 20 C ASP A 2 5.935 2.714 -3.697 1.00 0.00 C ATOM 21 O ASP A 2 5.195 2.521 -4.662 1.00 0.00 O ATOM 22 CB ASP A 2 6.962 0.462 -4.064 1.00 0.00 C ATOM 23 CG ASP A 2 7.410 -0.835 -3.420 1.00 0.00 C ATOM 24 OD1 ASP A 2 8.407 -0.812 -2.668 1.00 0.00 O ATOM 25 OD2 ASP A 2 6.763 -1.874 -3.668 1.00 0.00 O ATOM 0 H ASP A 2 6.411 0.969 -1.039 1.00 0.00 H new ATOM 0 HA ASP A 2 7.620 1.930 -2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.065 0.280 -4.656 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.733 0.808 -4.752 1.00 0.00 H new ATOM 30 N LYS A 3 6.139 3.917 -3.172 1.00 0.00 N ATOM 31 CA LYS A 3 5.492 5.107 -3.712 1.00 0.00 C ATOM 32 C LYS A 3 6.507 6.012 -4.404 1.00 0.00 C ATOM 33 O LYS A 3 6.151 6.814 -5.268 1.00 0.00 O ATOM 34 CB LYS A 3 4.783 5.878 -2.596 1.00 0.00 C ATOM 35 CG LYS A 3 5.712 6.326 -1.481 1.00 0.00 C ATOM 36 CD LYS A 3 5.294 7.672 -0.914 1.00 0.00 C ATOM 37 CE LYS A 3 4.459 7.511 0.348 1.00 0.00 C ATOM 38 NZ LYS A 3 5.278 7.681 1.580 1.00 0.00 N ATOM 0 H LYS A 3 6.748 4.094 -2.373 1.00 0.00 H new ATOM 0 HA LYS A 3 4.755 4.787 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.295 6.753 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.999 5.250 -2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.714 5.580 -0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.732 6.391 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.181 8.265 -0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.722 8.221 -1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.651 8.243 0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.995 6.525 0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.673 7.564 2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.034 6.967 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.700 8.631 1.588 1.00 0.00 H new ATOM 52 N CYS A 4 7.771 5.877 -4.019 1.00 0.00 N ATOM 53 CA CYS A 4 8.838 6.681 -4.602 1.00 0.00 C ATOM 54 C CYS A 4 8.809 6.601 -6.126 1.00 0.00 C ATOM 55 O CYS A 4 8.633 7.610 -6.809 1.00 0.00 O ATOM 56 CB CYS A 4 10.199 6.215 -4.082 1.00 0.00 C ATOM 57 SG CYS A 4 11.618 6.884 -5.008 1.00 0.00 S ATOM 0 H CYS A 4 8.082 5.218 -3.305 1.00 0.00 H new ATOM 0 HA CYS A 4 8.680 7.718 -4.307 1.00 0.00 H new ATOM 0 HB2 CYS A 4 10.294 6.503 -3.035 1.00 0.00 H new ATOM 0 HB3 CYS A 4 10.236 5.126 -4.118 1.00 0.00 H new ATOM 62 N LYS A 5 8.983 5.393 -6.652 1.00 0.00 N ATOM 63 CA LYS A 5 8.975 5.179 -8.095 1.00 0.00 C ATOM 64 C LYS A 5 7.581 4.795 -8.580 1.00 0.00 C ATOM 65 O LYS A 5 6.905 3.967 -7.970 1.00 0.00 O ATOM 66 CB LYS A 5 9.977 4.086 -8.473 1.00 0.00 C ATOM 67 CG LYS A 5 11.422 4.463 -8.196 1.00 0.00 C ATOM 68 CD LYS A 5 12.383 3.663 -9.060 1.00 0.00 C ATOM 69 CE LYS A 5 13.574 3.166 -8.256 1.00 0.00 C ATOM 70 NZ LYS A 5 14.535 2.404 -9.100 1.00 0.00 N ATOM 0 H LYS A 5 9.131 4.548 -6.101 1.00 0.00 H new ATOM 0 HA LYS A 5 9.264 6.112 -8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.735 3.177 -7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.867 3.855 -9.533 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.563 5.528 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.648 4.291 -7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.859 2.814 -9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.733 4.282 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.084 4.015 -7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.223 2.531 -7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.332 2.083 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.055 1.579 -9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.890 3.017 -9.862 1.00 0.00 H new ATOM 84 N LYS A 6 7.156 5.402 -9.683 1.00 0.00 N ATOM 85 CA LYS A 6 5.844 5.123 -10.254 1.00 0.00 C ATOM 86 C LYS A 6 5.947 4.857 -11.752 1.00 0.00 C ATOM 87 O LYS A 6 6.816 5.402 -12.431 1.00 0.00 O ATOM 88 CB LYS A 6 4.894 6.295 -9.997 1.00 0.00 C ATOM 89 CG LYS A 6 3.626 5.901 -9.259 1.00 0.00 C ATOM 90 CD LYS A 6 2.774 4.949 -10.082 1.00 0.00 C ATOM 91 CE LYS A 6 2.870 3.523 -9.563 1.00 0.00 C ATOM 92 NZ LYS A 6 1.763 2.670 -10.076 1.00 0.00 N ATOM 0 H LYS A 6 7.702 6.091 -10.200 1.00 0.00 H new ATOM 0 HA LYS A 6 5.448 4.229 -9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.418 7.057 -9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.623 6.748 -10.951 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.887 5.430 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.049 6.795 -9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.735 5.277 -10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.094 4.980 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.827 3.093 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.847 3.531 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.085 1.683 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.951 2.730 -9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.479 3.001 -11.020 1.00 0.00 H new ATOM 106 N VAL A 7 5.053 4.015 -12.262 1.00 0.00 N ATOM 107 CA VAL A 7 5.042 3.679 -13.680 1.00 0.00 C ATOM 108 C VAL A 7 4.245 4.702 -14.482 1.00 0.00 C ATOM 109 O VAL A 7 3.125 5.058 -14.115 1.00 0.00 O ATOM 110 CB VAL A 7 4.446 2.279 -13.921 1.00 0.00 C ATOM 111 CG1 VAL A 7 3.081 2.159 -13.261 1.00 0.00 C ATOM 112 CG2 VAL A 7 4.355 1.987 -15.411 1.00 0.00 C ATOM 0 H VAL A 7 4.327 3.553 -11.714 1.00 0.00 H new ATOM 0 HA VAL A 7 6.079 3.687 -14.014 1.00 0.00 H new ATOM 0 HB VAL A 7 5.107 1.539 -13.470 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.676 1.163 -13.442 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.180 2.321 -12.188 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.407 2.907 -13.680 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.932 0.994 -15.562 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.717 2.730 -15.889 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.351 2.028 -15.851 1.00 0.00 H new ATOM 122 N TYR A 8 4.830 5.172 -15.578 1.00 0.00 N ATOM 123 CA TYR A 8 4.176 6.156 -16.432 1.00 0.00 C ATOM 124 C TYR A 8 2.993 5.537 -17.171 1.00 0.00 C ATOM 125 O TYR A 8 3.059 4.393 -17.620 1.00 0.00 O ATOM 126 CB TYR A 8 5.173 6.734 -17.437 1.00 0.00 C ATOM 127 CG TYR A 8 5.087 8.237 -17.579 1.00 0.00 C ATOM 128 CD1 TYR A 8 3.918 8.848 -18.013 1.00 0.00 C ATOM 129 CD2 TYR A 8 6.176 9.046 -17.278 1.00 0.00 C ATOM 130 CE1 TYR A 8 3.835 10.221 -18.146 1.00 0.00 C ATOM 131 CE2 TYR A 8 6.102 10.420 -17.406 1.00 0.00 C ATOM 132 CZ TYR A 8 4.930 11.002 -17.841 1.00 0.00 C ATOM 133 OH TYR A 8 4.851 12.370 -17.970 1.00 0.00 O ATOM 0 H TYR A 8 5.756 4.887 -15.896 1.00 0.00 H new ATOM 0 HA TYR A 8 3.804 6.960 -15.796 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.183 6.464 -17.130 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.002 6.275 -18.411 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.058 8.239 -18.251 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.096 8.593 -16.938 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.918 10.680 -18.487 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.957 11.035 -17.167 1.00 0.00 H new ATOM 0 HH TYR A 8 3.912 12.637 -18.050 1.00 0.00 H new ATOM 143 N GLU A 9 1.913 6.303 -17.293 1.00 0.00 N ATOM 144 CA GLU A 9 0.716 5.830 -17.977 1.00 0.00 C ATOM 145 C GLU A 9 1.077 5.133 -19.286 1.00 0.00 C ATOM 146 O GLU A 9 0.692 3.987 -19.518 1.00 0.00 O ATOM 147 CB GLU A 9 -0.235 6.996 -18.253 1.00 0.00 C ATOM 148 CG GLU A 9 -0.545 7.833 -17.023 1.00 0.00 C ATOM 149 CD GLU A 9 -2.002 7.746 -16.610 1.00 0.00 C ATOM 150 OE1 GLU A 9 -2.851 8.352 -17.297 1.00 0.00 O ATOM 151 OE2 GLU A 9 -2.293 7.072 -15.600 1.00 0.00 O ATOM 0 H GLU A 9 1.843 7.253 -16.927 1.00 0.00 H new ATOM 0 HA GLU A 9 0.218 5.110 -17.327 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.203 7.638 -19.018 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.167 6.605 -18.660 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.084 7.503 -16.196 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.289 8.874 -17.222 1.00 0.00 H new ATOM 158 N ASN A 10 1.817 5.834 -20.138 1.00 0.00 N ATOM 159 CA ASN A 10 2.229 5.284 -21.424 1.00 0.00 C ATOM 160 C ASN A 10 3.249 6.193 -22.103 1.00 0.00 C ATOM 161 O ASN A 10 2.920 7.299 -22.533 1.00 0.00 O ATOM 162 CB ASN A 10 1.013 5.093 -22.334 1.00 0.00 C ATOM 163 CG ASN A 10 -0.090 6.091 -22.041 1.00 0.00 C ATOM 164 OD1 ASN A 10 -1.184 5.717 -21.618 1.00 0.00 O ATOM 165 ND2 ASN A 10 0.192 7.369 -22.265 1.00 0.00 N ATOM 0 H ASN A 10 2.144 6.784 -19.961 1.00 0.00 H new ATOM 0 HA ASN A 10 2.695 4.315 -21.244 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.322 5.192 -23.375 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.626 4.081 -22.211 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.512 8.085 -22.086 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.112 7.634 -22.616 1.00 0.00 H new ATOM 172 N TYR A 11 4.486 5.720 -22.197 1.00 0.00 N ATOM 173 CA TYR A 11 5.554 6.490 -22.822 1.00 0.00 C ATOM 174 C TYR A 11 6.196 5.706 -23.962 1.00 0.00 C ATOM 175 O TYR A 11 6.114 4.479 -24.030 1.00 0.00 O ATOM 176 CB TYR A 11 6.615 6.865 -21.785 1.00 0.00 C ATOM 177 CG TYR A 11 6.616 8.333 -21.423 1.00 0.00 C ATOM 178 CD1 TYR A 11 5.424 9.026 -21.250 1.00 0.00 C ATOM 179 CD2 TYR A 11 7.808 9.026 -21.255 1.00 0.00 C ATOM 180 CE1 TYR A 11 5.420 10.368 -20.920 1.00 0.00 C ATOM 181 CE2 TYR A 11 7.813 10.367 -20.923 1.00 0.00 C ATOM 182 CZ TYR A 11 6.617 11.033 -20.757 1.00 0.00 C ATOM 183 OH TYR A 11 6.618 12.370 -20.428 1.00 0.00 O ATOM 0 H TYR A 11 4.774 4.806 -21.848 1.00 0.00 H new ATOM 0 HA TYR A 11 5.118 7.401 -23.232 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.452 6.277 -20.882 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.598 6.593 -22.169 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.485 8.507 -21.376 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.746 8.508 -21.386 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.485 10.893 -20.791 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.749 10.891 -20.794 1.00 0.00 H new ATOM 0 HH TYR A 11 6.068 12.511 -19.629 1.00 0.00 H new ATOM 193 N PRO A 12 6.853 6.430 -24.881 1.00 0.00 N ATOM 194 CA PRO A 12 7.523 5.825 -26.035 1.00 0.00 C ATOM 195 C PRO A 12 8.761 5.029 -25.635 1.00 0.00 C ATOM 196 O PRO A 12 9.663 5.552 -24.980 1.00 0.00 O ATOM 197 CB PRO A 12 7.917 7.032 -26.890 1.00 0.00 C ATOM 198 CG PRO A 12 8.022 8.161 -25.925 1.00 0.00 C ATOM 199 CD PRO A 12 6.992 7.896 -24.863 1.00 0.00 C ATOM 0 HA PRO A 12 6.881 5.111 -26.551 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.863 6.861 -27.404 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.170 7.235 -27.657 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.022 8.214 -25.494 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.837 9.115 -26.419 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.318 8.257 -23.888 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.047 8.392 -25.087 1.00 0.00 H new ATOM 207 N VAL A 13 8.798 3.761 -26.033 1.00 0.00 N ATOM 208 CA VAL A 13 9.927 2.894 -25.717 1.00 0.00 C ATOM 209 C VAL A 13 11.187 3.344 -26.446 1.00 0.00 C ATOM 210 O VAL A 13 12.303 3.065 -26.009 1.00 0.00 O ATOM 211 CB VAL A 13 9.629 1.428 -26.086 1.00 0.00 C ATOM 212 CG1 VAL A 13 10.844 0.553 -25.820 1.00 0.00 C ATOM 213 CG2 VAL A 13 8.417 0.921 -25.318 1.00 0.00 C ATOM 0 H VAL A 13 8.060 3.312 -26.575 1.00 0.00 H new ATOM 0 HA VAL A 13 10.089 2.965 -24.641 1.00 0.00 H new ATOM 0 HB VAL A 13 9.402 1.378 -27.151 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.615 -0.479 -26.086 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.684 0.905 -26.419 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.106 0.605 -24.763 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.221 -0.116 -25.591 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.612 0.984 -24.247 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.548 1.532 -25.565 1.00 0.00 H new ATOM 223 N SER A 14 11.001 4.043 -27.562 1.00 0.00 N ATOM 224 CA SER A 14 12.124 4.530 -28.355 1.00 0.00 C ATOM 225 C SER A 14 12.897 5.606 -27.599 1.00 0.00 C ATOM 226 O SER A 14 14.126 5.657 -27.651 1.00 0.00 O ATOM 227 CB SER A 14 11.628 5.085 -29.691 1.00 0.00 C ATOM 228 OG SER A 14 11.070 4.060 -30.495 1.00 0.00 O ATOM 0 H SER A 14 10.084 4.284 -27.937 1.00 0.00 H new ATOM 0 HA SER A 14 12.795 3.692 -28.544 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.881 5.858 -29.512 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.455 5.558 -30.221 1.00 0.00 H new ATOM 0 HG SER A 14 10.759 4.442 -31.342 1.00 0.00 H new ATOM 234 N LYS A 15 12.167 6.465 -26.895 1.00 0.00 N ATOM 235 CA LYS A 15 12.782 7.541 -26.126 1.00 0.00 C ATOM 236 C LYS A 15 13.457 6.996 -24.872 1.00 0.00 C ATOM 237 O LYS A 15 14.469 7.530 -24.418 1.00 0.00 O ATOM 238 CB LYS A 15 11.731 8.584 -25.740 1.00 0.00 C ATOM 239 CG LYS A 15 11.065 9.248 -26.933 1.00 0.00 C ATOM 240 CD LYS A 15 12.086 9.905 -27.847 1.00 0.00 C ATOM 241 CE LYS A 15 12.183 9.185 -29.183 1.00 0.00 C ATOM 242 NZ LYS A 15 12.658 10.090 -30.267 1.00 0.00 N ATOM 0 H LYS A 15 11.149 6.437 -26.841 1.00 0.00 H new ATOM 0 HA LYS A 15 13.541 8.012 -26.750 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.966 8.107 -25.127 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.201 9.351 -25.124 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.498 8.505 -27.494 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.353 9.996 -26.584 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.810 10.946 -28.013 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.062 9.907 -27.362 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.864 8.339 -29.091 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.207 8.780 -29.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.711 9.562 -31.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.995 10.884 -30.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.601 10.456 -30.025 1.00 0.00 H new ATOM 256 N CYS A 16 12.892 5.929 -24.317 1.00 0.00 N ATOM 257 CA CYS A 16 13.440 5.311 -23.116 1.00 0.00 C ATOM 258 C CYS A 16 14.895 4.904 -23.328 1.00 0.00 C ATOM 259 O CYS A 16 15.668 4.808 -22.376 1.00 0.00 O ATOM 260 CB CYS A 16 12.609 4.087 -22.723 1.00 0.00 C ATOM 261 SG CYS A 16 12.024 4.109 -20.998 1.00 0.00 S ATOM 0 H CYS A 16 12.054 5.474 -24.680 1.00 0.00 H new ATOM 0 HA CYS A 16 13.400 6.044 -22.310 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.747 4.018 -23.387 1.00 0.00 H new ATOM 0 HB3 CYS A 16 13.207 3.189 -22.881 1.00 0.00 H new ATOM 266 N GLN A 17 15.260 4.668 -24.584 1.00 0.00 N ATOM 267 CA GLN A 17 16.623 4.272 -24.922 1.00 0.00 C ATOM 268 C GLN A 17 17.632 5.281 -24.384 1.00 0.00 C ATOM 269 O GLN A 17 18.799 4.952 -24.167 1.00 0.00 O ATOM 270 CB GLN A 17 16.776 4.137 -26.438 1.00 0.00 C ATOM 271 CG GLN A 17 16.400 2.763 -26.968 1.00 0.00 C ATOM 272 CD GLN A 17 17.257 2.336 -28.142 1.00 0.00 C ATOM 273 OE1 GLN A 17 17.806 1.233 -28.157 1.00 0.00 O ATOM 274 NE2 GLN A 17 17.377 3.208 -29.136 1.00 0.00 N ATOM 0 H GLN A 17 14.632 4.744 -25.384 1.00 0.00 H new ATOM 0 HA GLN A 17 16.820 3.306 -24.457 1.00 0.00 H new ATOM 0 HB2 GLN A 17 16.154 4.888 -26.926 1.00 0.00 H new ATOM 0 HB3 GLN A 17 17.809 4.352 -26.711 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.497 2.030 -26.167 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.353 2.769 -27.271 1.00 0.00 H new ATOM 0 HE21 GLN A 17 16.905 4.111 -29.082 1.00 0.00 H new ATOM 0 HE22 GLN A 17 17.941 2.975 -29.953 1.00 0.00 H new ATOM 283 N LEU A 18 17.176 6.510 -24.171 1.00 0.00 N ATOM 284 CA LEU A 18 18.039 7.568 -23.658 1.00 0.00 C ATOM 285 C LEU A 18 17.655 7.940 -22.229 1.00 0.00 C ATOM 286 O LEU A 18 16.588 8.503 -21.989 1.00 0.00 O ATOM 287 CB LEU A 18 17.956 8.802 -24.558 1.00 0.00 C ATOM 288 CG LEU A 18 18.192 8.563 -26.050 1.00 0.00 C ATOM 289 CD1 LEU A 18 17.972 9.844 -26.838 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.595 8.023 -26.287 1.00 0.00 C ATOM 0 H LEU A 18 16.213 6.799 -24.346 1.00 0.00 H new ATOM 0 HA LEU A 18 19.064 7.197 -23.654 1.00 0.00 H new ATOM 0 HB2 LEU A 18 16.971 9.251 -24.434 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.686 9.532 -24.208 1.00 0.00 H new ATOM 0 HG LEU A 18 17.474 7.820 -26.398 1.00 0.00 H new ATOM 0 HD11 LEU A 18 18.145 9.654 -27.897 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.948 10.189 -26.693 1.00 0.00 H new ATOM 0 HD13 LEU A 18 18.665 10.609 -26.489 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.746 7.859 -27.354 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.328 8.743 -25.923 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.717 7.080 -25.754 1.00 0.00 H new ATOM 302 N ALA A 19 18.535 7.623 -21.285 1.00 0.00 N ATOM 303 CA ALA A 19 18.290 7.927 -19.880 1.00 0.00 C ATOM 304 C ALA A 19 18.045 9.418 -19.676 1.00 0.00 C ATOM 305 O ALA A 19 17.269 9.816 -18.808 1.00 0.00 O ATOM 306 CB ALA A 19 19.461 7.461 -19.028 1.00 0.00 C ATOM 0 H ALA A 19 19.423 7.156 -21.467 1.00 0.00 H new ATOM 0 HA ALA A 19 17.393 7.392 -19.569 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.265 7.694 -17.981 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.588 6.385 -19.142 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.370 7.970 -19.349 1.00 0.00 H new ATOM 312 N ASN A 20 18.712 10.239 -20.481 1.00 0.00 N ATOM 313 CA ASN A 20 18.567 11.687 -20.388 1.00 0.00 C ATOM 314 C ASN A 20 17.158 12.119 -20.782 1.00 0.00 C ATOM 315 O ASN A 20 16.711 13.210 -20.428 1.00 0.00 O ATOM 316 CB ASN A 20 19.595 12.382 -21.282 1.00 0.00 C ATOM 317 CG ASN A 20 20.926 11.655 -21.307 1.00 0.00 C ATOM 318 OD1 ASN A 20 21.353 11.155 -22.348 1.00 0.00 O ATOM 319 ND2 ASN A 20 21.587 11.592 -20.157 1.00 0.00 N ATOM 0 H ASN A 20 19.358 9.926 -21.205 1.00 0.00 H new ATOM 0 HA ASN A 20 18.741 11.979 -19.352 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.203 12.451 -22.297 1.00 0.00 H new ATOM 0 HB3 ASN A 20 19.748 13.402 -20.930 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.487 11.115 -20.112 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.194 12.021 -19.319 1.00 0.00 H new ATOM 326 N GLN A 21 16.465 11.256 -21.517 1.00 0.00 N ATOM 327 CA GLN A 21 15.107 11.549 -21.960 1.00 0.00 C ATOM 328 C GLN A 21 14.090 11.163 -20.891 1.00 0.00 C ATOM 329 O GLN A 21 13.295 11.992 -20.448 1.00 0.00 O ATOM 330 CB GLN A 21 14.801 10.807 -23.263 1.00 0.00 C ATOM 331 CG GLN A 21 15.121 11.612 -24.511 1.00 0.00 C ATOM 332 CD GLN A 21 13.913 12.348 -25.057 1.00 0.00 C ATOM 333 OE1 GLN A 21 13.480 12.105 -26.183 1.00 0.00 O ATOM 334 NE2 GLN A 21 13.360 13.254 -24.257 1.00 0.00 N ATOM 0 H GLN A 21 16.821 10.349 -21.818 1.00 0.00 H new ATOM 0 HA GLN A 21 15.033 12.622 -22.135 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.370 9.878 -23.284 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.746 10.535 -23.277 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.907 12.331 -24.283 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.513 10.945 -25.279 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.752 13.423 -23.331 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.544 13.780 -24.569 1.00 0.00 H new ATOM 343 N CYS A 22 14.121 9.900 -20.480 1.00 0.00 N ATOM 344 CA CYS A 22 13.202 9.403 -19.463 1.00 0.00 C ATOM 345 C CYS A 22 13.227 10.296 -18.225 1.00 0.00 C ATOM 346 O CYS A 22 12.181 10.705 -17.722 1.00 0.00 O ATOM 347 CB CYS A 22 13.563 7.968 -19.077 1.00 0.00 C ATOM 348 SG CYS A 22 12.156 6.987 -18.462 1.00 0.00 S ATOM 0 H CYS A 22 14.773 9.201 -20.836 1.00 0.00 H new ATOM 0 HA CYS A 22 12.195 9.417 -19.880 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.990 7.466 -19.945 1.00 0.00 H new ATOM 0 HB3 CYS A 22 14.337 7.993 -18.310 1.00 0.00 H new ATOM 353 N ASN A 23 14.428 10.593 -17.741 1.00 0.00 N ATOM 354 CA ASN A 23 14.589 11.437 -16.562 1.00 0.00 C ATOM 355 C ASN A 23 14.081 12.850 -16.831 1.00 0.00 C ATOM 356 O ASN A 23 13.206 13.351 -16.125 1.00 0.00 O ATOM 357 CB ASN A 23 16.059 11.483 -16.140 1.00 0.00 C ATOM 358 CG ASN A 23 16.243 12.060 -14.750 1.00 0.00 C ATOM 359 OD1 ASN A 23 16.137 11.349 -13.751 1.00 0.00 O ATOM 360 ND2 ASN A 23 16.520 13.357 -14.680 1.00 0.00 N ATOM 0 H ASN A 23 15.304 10.262 -18.146 1.00 0.00 H new ATOM 0 HA ASN A 23 13.999 11.006 -15.753 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.475 10.476 -16.170 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.621 12.082 -16.856 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.654 13.802 -13.772 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.599 13.909 -15.534 1.00 0.00 H new ATOM 367 N TYR A 24 14.635 13.487 -17.857 1.00 0.00 N ATOM 368 CA TYR A 24 14.240 14.843 -18.218 1.00 0.00 C ATOM 369 C TYR A 24 12.724 14.953 -18.345 1.00 0.00 C ATOM 370 O TYR A 24 12.112 15.889 -17.829 1.00 0.00 O ATOM 371 CB TYR A 24 14.904 15.257 -19.532 1.00 0.00 C ATOM 372 CG TYR A 24 14.622 16.688 -19.929 1.00 0.00 C ATOM 373 CD1 TYR A 24 15.101 17.748 -19.169 1.00 0.00 C ATOM 374 CD2 TYR A 24 13.874 16.982 -21.063 1.00 0.00 C ATOM 375 CE1 TYR A 24 14.845 19.057 -19.526 1.00 0.00 C ATOM 376 CE2 TYR A 24 13.615 18.288 -21.429 1.00 0.00 C ATOM 377 CZ TYR A 24 14.102 19.322 -20.658 1.00 0.00 C ATOM 378 OH TYR A 24 13.844 20.625 -21.019 1.00 0.00 O ATOM 0 H TYR A 24 15.359 13.086 -18.453 1.00 0.00 H new ATOM 0 HA TYR A 24 14.570 15.514 -17.425 1.00 0.00 H new ATOM 0 HB2 TYR A 24 15.982 15.119 -19.444 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.562 14.594 -20.327 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.684 17.544 -18.283 1.00 0.00 H new ATOM 0 HD2 TYR A 24 13.489 16.175 -21.668 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.224 19.869 -18.923 1.00 0.00 H new ATOM 0 HE2 TYR A 24 13.034 18.498 -22.315 1.00 0.00 H new ATOM 0 HH TYR A 24 13.309 20.637 -21.840 1.00 0.00 H new ATOM 388 N ASP A 25 12.123 13.989 -19.035 1.00 0.00 N ATOM 389 CA ASP A 25 10.678 13.975 -19.229 1.00 0.00 C ATOM 390 C ASP A 25 9.954 13.749 -17.905 1.00 0.00 C ATOM 391 O ASP A 25 9.060 14.511 -17.536 1.00 0.00 O ATOM 392 CB ASP A 25 10.287 12.887 -20.230 1.00 0.00 C ATOM 393 CG ASP A 25 9.150 13.316 -21.137 1.00 0.00 C ATOM 394 OD1 ASP A 25 8.418 14.258 -20.766 1.00 0.00 O ATOM 395 OD2 ASP A 25 8.992 12.710 -22.217 1.00 0.00 O ATOM 0 H ASP A 25 12.614 13.208 -19.469 1.00 0.00 H new ATOM 0 HA ASP A 25 10.380 14.946 -19.624 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.154 12.628 -20.837 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.996 11.987 -19.689 1.00 0.00 H new ATOM 400 N CYS A 26 10.345 12.696 -17.195 1.00 0.00 N ATOM 401 CA CYS A 26 9.733 12.368 -15.913 1.00 0.00 C ATOM 402 C CYS A 26 9.788 13.561 -14.962 1.00 0.00 C ATOM 403 O CYS A 26 8.807 13.880 -14.291 1.00 0.00 O ATOM 404 CB CYS A 26 10.437 11.165 -15.281 1.00 0.00 C ATOM 405 SG CYS A 26 9.928 10.823 -13.566 1.00 0.00 S ATOM 0 H CYS A 26 11.083 12.055 -17.486 1.00 0.00 H new ATOM 0 HA CYS A 26 8.688 12.116 -16.092 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.242 10.282 -15.890 1.00 0.00 H new ATOM 0 HB3 CYS A 26 11.513 11.335 -15.302 1.00 0.00 H new ATOM 410 N LYS A 27 10.943 14.216 -14.911 1.00 0.00 N ATOM 411 CA LYS A 27 11.128 15.375 -14.045 1.00 0.00 C ATOM 412 C LYS A 27 10.514 16.624 -14.669 1.00 0.00 C ATOM 413 O LYS A 27 10.547 17.705 -14.080 1.00 0.00 O ATOM 414 CB LYS A 27 12.617 15.604 -13.776 1.00 0.00 C ATOM 415 CG LYS A 27 12.888 16.499 -12.579 1.00 0.00 C ATOM 416 CD LYS A 27 13.922 17.564 -12.903 1.00 0.00 C ATOM 417 CE LYS A 27 13.267 18.899 -13.220 1.00 0.00 C ATOM 418 NZ LYS A 27 14.271 19.940 -13.573 1.00 0.00 N ATOM 0 H LYS A 27 11.765 13.964 -15.459 1.00 0.00 H new ATOM 0 HA LYS A 27 10.621 15.176 -13.101 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.101 14.641 -13.616 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.074 16.047 -14.661 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.960 16.976 -12.262 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.237 15.894 -11.742 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.601 17.682 -12.058 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.524 17.242 -13.753 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.568 18.773 -14.047 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.686 19.232 -12.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.784 20.835 -13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.923 20.079 -12.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.808 19.635 -14.409 1.00 0.00 H new ATOM 432 N LEU A 28 9.955 16.469 -15.864 1.00 0.00 N ATOM 433 CA LEU A 28 9.332 17.585 -16.568 1.00 0.00 C ATOM 434 C LEU A 28 7.814 17.537 -16.429 1.00 0.00 C ATOM 435 O LEU A 28 7.186 18.518 -16.028 1.00 0.00 O ATOM 436 CB LEU A 28 9.721 17.561 -18.047 1.00 0.00 C ATOM 437 CG LEU A 28 9.030 18.593 -18.940 1.00 0.00 C ATOM 438 CD1 LEU A 28 9.287 20.001 -18.425 1.00 0.00 C ATOM 439 CD2 LEU A 28 9.503 18.455 -20.379 1.00 0.00 C ATOM 0 H LEU A 28 9.920 15.582 -16.366 1.00 0.00 H new ATOM 0 HA LEU A 28 9.690 18.511 -16.119 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.798 17.709 -18.121 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.508 16.568 -18.442 1.00 0.00 H new ATOM 0 HG LEU A 28 7.956 18.408 -18.913 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.788 20.722 -19.072 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.898 20.094 -17.411 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.359 20.197 -18.422 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.001 19.197 -21.000 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.581 18.613 -20.425 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.267 17.456 -20.745 1.00 0.00 H new ATOM 451 N ASP A 29 7.230 16.391 -16.761 1.00 0.00 N ATOM 452 CA ASP A 29 5.786 16.214 -16.671 1.00 0.00 C ATOM 453 C ASP A 29 5.378 15.784 -15.265 1.00 0.00 C ATOM 454 O ASP A 29 4.457 16.349 -14.673 1.00 0.00 O ATOM 455 CB ASP A 29 5.312 15.179 -17.692 1.00 0.00 C ATOM 456 CG ASP A 29 4.811 15.816 -18.973 1.00 0.00 C ATOM 457 OD1 ASP A 29 5.102 17.010 -19.195 1.00 0.00 O ATOM 458 OD2 ASP A 29 4.128 15.121 -19.754 1.00 0.00 O ATOM 0 H ASP A 29 7.735 15.570 -17.095 1.00 0.00 H new ATOM 0 HA ASP A 29 5.313 17.171 -16.891 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.132 14.500 -17.924 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.516 14.578 -17.253 1.00 0.00 H new ATOM 463 N LYS A 30 6.068 14.780 -14.736 1.00 0.00 N ATOM 464 CA LYS A 30 5.780 14.273 -13.399 1.00 0.00 C ATOM 465 C LYS A 30 6.526 15.077 -12.339 1.00 0.00 C ATOM 466 O LYS A 30 6.193 15.020 -11.155 1.00 0.00 O ATOM 467 CB LYS A 30 6.164 12.795 -13.298 1.00 0.00 C ATOM 468 CG LYS A 30 5.653 11.953 -14.454 1.00 0.00 C ATOM 469 CD LYS A 30 4.715 10.858 -13.974 1.00 0.00 C ATOM 470 CE LYS A 30 3.594 10.607 -14.972 1.00 0.00 C ATOM 471 NZ LYS A 30 2.296 10.340 -14.292 1.00 0.00 N ATOM 0 H LYS A 30 6.832 14.300 -15.213 1.00 0.00 H new ATOM 0 HA LYS A 30 4.710 14.377 -13.221 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.250 12.713 -13.252 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.774 12.390 -12.364 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.133 12.591 -15.168 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.496 11.506 -14.981 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.278 9.938 -13.818 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.290 11.138 -13.010 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.490 11.472 -15.627 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.854 9.758 -15.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.558 10.174 -15.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.388 9.499 -13.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.035 11.160 -13.708 1.00 0.00 H new ATOM 485 N HIS A 31 7.535 15.826 -12.773 1.00 0.00 N ATOM 486 CA HIS A 31 8.326 16.644 -11.860 1.00 0.00 C ATOM 487 C HIS A 31 8.954 15.785 -10.766 1.00 0.00 C ATOM 488 O HIS A 31 9.258 16.273 -9.679 1.00 0.00 O ATOM 489 CB HIS A 31 7.456 17.733 -11.233 1.00 0.00 C ATOM 490 CG HIS A 31 8.199 19.002 -10.948 1.00 0.00 C ATOM 491 ND1 HIS A 31 8.529 19.917 -11.925 1.00 0.00 N ATOM 492 CD2 HIS A 31 8.675 19.507 -9.785 1.00 0.00 C ATOM 493 CE1 HIS A 31 9.178 20.929 -11.376 1.00 0.00 C ATOM 494 NE2 HIS A 31 9.279 20.705 -10.078 1.00 0.00 N ATOM 0 H HIS A 31 7.824 15.883 -13.750 1.00 0.00 H new ATOM 0 HA HIS A 31 9.126 17.114 -12.433 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.623 17.951 -11.902 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.028 17.355 -10.304 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.595 19.052 -8.809 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.561 21.793 -11.900 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.732 21.321 -9.403 1.00 0.00 H new ATOM 502 N ALA A 32 9.143 14.503 -11.063 1.00 0.00 N ATOM 503 CA ALA A 32 9.735 13.577 -10.105 1.00 0.00 C ATOM 504 C ALA A 32 11.234 13.816 -9.965 1.00 0.00 C ATOM 505 O ALA A 32 11.885 14.296 -10.893 1.00 0.00 O ATOM 506 CB ALA A 32 9.465 12.140 -10.525 1.00 0.00 C ATOM 0 H ALA A 32 8.895 14.083 -11.959 1.00 0.00 H new ATOM 0 HA ALA A 32 9.273 13.753 -9.133 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.913 11.459 -9.801 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.389 11.969 -10.567 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.899 11.961 -11.508 1.00 0.00 H new ATOM 512 N ARG A 33 11.776 13.480 -8.798 1.00 0.00 N ATOM 513 CA ARG A 33 13.198 13.661 -8.536 1.00 0.00 C ATOM 514 C ARG A 33 14.038 13.082 -9.671 1.00 0.00 C ATOM 515 O ARG A 33 14.987 13.712 -10.138 1.00 0.00 O ATOM 516 CB ARG A 33 13.583 12.997 -7.213 1.00 0.00 C ATOM 517 CG ARG A 33 13.308 13.862 -5.994 1.00 0.00 C ATOM 518 CD ARG A 33 14.316 13.600 -4.886 1.00 0.00 C ATOM 519 NE ARG A 33 13.685 13.569 -3.569 1.00 0.00 N ATOM 520 CZ ARG A 33 13.161 14.638 -2.980 1.00 0.00 C ATOM 521 NH1 ARG A 33 13.192 15.816 -3.587 1.00 0.00 N ATOM 522 NH2 ARG A 33 12.604 14.530 -1.780 1.00 0.00 N ATOM 0 H ARG A 33 11.251 13.081 -8.020 1.00 0.00 H new ATOM 0 HA ARG A 33 13.396 14.731 -8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.035 12.060 -7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.643 12.745 -7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.343 14.914 -6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.301 13.664 -5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.818 12.650 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.083 14.375 -4.903 1.00 0.00 H new ATOM 0 HE ARG A 33 13.645 12.678 -3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.619 15.903 -4.509 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.789 16.635 -3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.578 13.625 -1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.202 15.352 -1.329 1.00 0.00 H new ATOM 536 N SER A 34 13.682 11.879 -10.110 1.00 0.00 N ATOM 537 CA SER A 34 14.405 11.213 -11.187 1.00 0.00 C ATOM 538 C SER A 34 13.474 10.308 -11.988 1.00 0.00 C ATOM 539 O SER A 34 12.269 10.266 -11.743 1.00 0.00 O ATOM 540 CB SER A 34 15.567 10.395 -10.621 1.00 0.00 C ATOM 541 OG SER A 34 15.568 10.424 -9.204 1.00 0.00 O ATOM 0 H SER A 34 12.897 11.346 -9.736 1.00 0.00 H new ATOM 0 HA SER A 34 14.801 11.980 -11.853 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.493 9.364 -10.967 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.511 10.790 -10.997 1.00 0.00 H new ATOM 0 HG SER A 34 16.319 9.893 -8.866 1.00 0.00 H new ATOM 547 N GLY A 35 14.043 9.585 -12.948 1.00 0.00 N ATOM 548 CA GLY A 35 13.251 8.691 -13.772 1.00 0.00 C ATOM 549 C GLY A 35 14.103 7.690 -14.526 1.00 0.00 C ATOM 550 O GLY A 35 15.005 8.071 -15.271 1.00 0.00 O ATOM 0 H GLY A 35 15.038 9.603 -13.170 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.539 8.157 -13.143 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.669 9.277 -14.483 1.00 0.00 H new ATOM 554 N GLU A 36 13.817 6.406 -14.332 1.00 0.00 N ATOM 555 CA GLU A 36 14.567 5.348 -14.998 1.00 0.00 C ATOM 556 C GLU A 36 13.664 4.546 -15.932 1.00 0.00 C ATOM 557 O GLU A 36 12.449 4.743 -15.959 1.00 0.00 O ATOM 558 CB GLU A 36 15.206 4.417 -13.966 1.00 0.00 C ATOM 559 CG GLU A 36 16.597 4.851 -13.534 1.00 0.00 C ATOM 560 CD GLU A 36 16.569 5.867 -12.409 1.00 0.00 C ATOM 561 OE1 GLU A 36 16.265 5.474 -11.263 1.00 0.00 O ATOM 562 OE2 GLU A 36 16.850 7.054 -12.675 1.00 0.00 O ATOM 0 H GLU A 36 13.072 6.074 -13.720 1.00 0.00 H new ATOM 0 HA GLU A 36 15.353 5.814 -15.592 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.562 4.365 -13.088 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.261 3.411 -14.382 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.163 3.976 -13.214 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.123 5.276 -14.389 1.00 0.00 H new ATOM 569 N CYS A 37 14.267 3.643 -16.697 1.00 0.00 N ATOM 570 CA CYS A 37 13.520 2.811 -17.633 1.00 0.00 C ATOM 571 C CYS A 37 13.475 1.362 -17.157 1.00 0.00 C ATOM 572 O CYS A 37 14.497 0.791 -16.773 1.00 0.00 O ATOM 573 CB CYS A 37 14.149 2.883 -19.025 1.00 0.00 C ATOM 574 SG CYS A 37 13.853 4.456 -19.895 1.00 0.00 S ATOM 0 H CYS A 37 15.272 3.468 -16.687 1.00 0.00 H new ATOM 0 HA CYS A 37 12.499 3.190 -17.683 1.00 0.00 H new ATOM 0 HB2 CYS A 37 15.224 2.727 -18.935 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.758 2.066 -19.631 1.00 0.00 H new ATOM 579 N PHE A 38 12.285 0.773 -17.185 1.00 0.00 N ATOM 580 CA PHE A 38 12.106 -0.610 -16.756 1.00 0.00 C ATOM 581 C PHE A 38 11.819 -1.517 -17.949 1.00 0.00 C ATOM 582 O PHE A 38 11.371 -1.056 -19.000 1.00 0.00 O ATOM 583 CB PHE A 38 10.965 -0.707 -15.741 1.00 0.00 C ATOM 584 CG PHE A 38 11.432 -0.722 -14.314 1.00 0.00 C ATOM 585 CD1 PHE A 38 12.444 0.126 -13.894 1.00 0.00 C ATOM 586 CD2 PHE A 38 10.860 -1.584 -13.392 1.00 0.00 C ATOM 587 CE1 PHE A 38 12.877 0.116 -12.581 1.00 0.00 C ATOM 588 CE2 PHE A 38 11.288 -1.598 -12.078 1.00 0.00 C ATOM 589 CZ PHE A 38 12.298 -0.748 -11.672 1.00 0.00 C ATOM 0 H PHE A 38 11.430 1.231 -17.500 1.00 0.00 H new ATOM 0 HA PHE A 38 13.032 -0.941 -16.285 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.289 0.136 -15.885 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.391 -1.613 -15.937 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.900 0.803 -14.601 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.071 -2.252 -13.704 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.667 0.783 -12.267 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.833 -2.273 -11.369 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.634 -0.759 -10.646 1.00 0.00 H new ATOM 599 N TYR A 39 12.080 -2.808 -17.780 1.00 0.00 N ATOM 600 CA TYR A 39 11.853 -3.780 -18.843 1.00 0.00 C ATOM 601 C TYR A 39 10.584 -4.585 -18.582 1.00 0.00 C ATOM 602 O TYR A 39 10.614 -5.613 -17.905 1.00 0.00 O ATOM 603 CB TYR A 39 13.052 -4.722 -18.966 1.00 0.00 C ATOM 604 CG TYR A 39 13.818 -4.561 -20.259 1.00 0.00 C ATOM 605 CD1 TYR A 39 13.158 -4.527 -21.481 1.00 0.00 C ATOM 606 CD2 TYR A 39 15.203 -4.442 -20.259 1.00 0.00 C ATOM 607 CE1 TYR A 39 13.854 -4.381 -22.665 1.00 0.00 C ATOM 608 CE2 TYR A 39 15.907 -4.295 -21.438 1.00 0.00 C ATOM 609 CZ TYR A 39 15.228 -4.265 -22.639 1.00 0.00 C ATOM 610 OH TYR A 39 15.925 -4.118 -23.816 1.00 0.00 O ATOM 0 H TYR A 39 12.449 -3.206 -16.917 1.00 0.00 H new ATOM 0 HA TYR A 39 11.730 -3.235 -19.779 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.728 -4.547 -18.129 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.704 -5.752 -18.885 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.082 -4.616 -21.506 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.738 -4.465 -19.321 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.325 -4.358 -23.606 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.983 -4.204 -21.420 1.00 0.00 H new ATOM 0 HH TYR A 39 16.883 -4.049 -23.622 1.00 0.00 H new ATOM 620 N LYS A 40 9.468 -4.111 -19.126 1.00 0.00 N ATOM 621 CA LYS A 40 8.187 -4.785 -18.956 1.00 0.00 C ATOM 622 C LYS A 40 7.892 -5.699 -20.141 1.00 0.00 C ATOM 623 O LYS A 40 8.635 -5.717 -21.122 1.00 0.00 O ATOM 624 CB LYS A 40 7.063 -3.758 -18.798 1.00 0.00 C ATOM 625 CG LYS A 40 6.189 -3.996 -17.579 1.00 0.00 C ATOM 626 CD LYS A 40 4.819 -4.525 -17.970 1.00 0.00 C ATOM 627 CE LYS A 40 3.753 -4.104 -16.971 1.00 0.00 C ATOM 628 NZ LYS A 40 2.995 -5.273 -16.443 1.00 0.00 N ATOM 0 H LYS A 40 9.425 -3.262 -19.689 1.00 0.00 H new ATOM 0 HA LYS A 40 8.243 -5.395 -18.054 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.499 -2.761 -18.733 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.439 -3.775 -19.691 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.678 -4.707 -16.913 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.076 -3.065 -17.024 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.555 -4.157 -18.962 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.852 -5.613 -18.032 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.221 -3.571 -16.143 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.062 -3.409 -17.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.278 -4.944 -15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.527 -5.767 -17.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.650 -5.924 -15.965 1.00 0.00 H new ATOM 642 N GLU A 41 6.802 -6.455 -20.043 1.00 0.00 N ATOM 643 CA GLU A 41 6.410 -7.371 -21.108 1.00 0.00 C ATOM 644 C GLU A 41 7.584 -8.250 -21.529 1.00 0.00 C ATOM 645 O GLU A 41 8.580 -8.360 -20.814 1.00 0.00 O ATOM 646 CB GLU A 41 5.886 -6.589 -22.315 1.00 0.00 C ATOM 647 CG GLU A 41 4.619 -7.175 -22.915 1.00 0.00 C ATOM 648 CD GLU A 41 4.388 -6.724 -24.344 1.00 0.00 C ATOM 649 OE1 GLU A 41 5.313 -6.876 -25.170 1.00 0.00 O ATOM 650 OE2 GLU A 41 3.284 -6.219 -24.637 1.00 0.00 O ATOM 0 H GLU A 41 6.176 -6.451 -19.238 1.00 0.00 H new ATOM 0 HA GLU A 41 5.616 -8.013 -20.727 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.693 -5.559 -22.014 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.660 -6.558 -23.081 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.677 -8.263 -22.886 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.764 -6.885 -22.304 1.00 0.00 H new ATOM 657 N LYS A 42 7.458 -8.877 -22.694 1.00 0.00 N ATOM 658 CA LYS A 42 8.507 -9.747 -23.212 1.00 0.00 C ATOM 659 C LYS A 42 9.627 -8.930 -23.848 1.00 0.00 C ATOM 660 O LYS A 42 10.807 -9.175 -23.596 1.00 0.00 O ATOM 661 CB LYS A 42 7.927 -10.723 -24.239 1.00 0.00 C ATOM 662 CG LYS A 42 7.836 -12.153 -23.735 1.00 0.00 C ATOM 663 CD LYS A 42 8.900 -13.035 -24.367 1.00 0.00 C ATOM 664 CE LYS A 42 10.266 -12.795 -23.744 1.00 0.00 C ATOM 665 NZ LYS A 42 10.919 -14.068 -23.331 1.00 0.00 N ATOM 0 H LYS A 42 6.639 -8.799 -23.297 1.00 0.00 H new ATOM 0 HA LYS A 42 8.922 -10.311 -22.377 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.932 -10.384 -24.528 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.544 -10.702 -25.137 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.948 -12.166 -22.651 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.848 -12.556 -23.958 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.624 -14.083 -24.247 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.948 -12.838 -25.438 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.904 -12.274 -24.458 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.160 -12.143 -22.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.848 -13.861 -22.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.322 -14.553 -22.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.044 -14.680 -24.163 1.00 0.00 H new ATOM 679 N ARG A 43 9.250 -7.957 -24.671 1.00 0.00 N ATOM 680 CA ARG A 43 10.223 -7.104 -25.342 1.00 0.00 C ATOM 681 C ARG A 43 9.939 -5.631 -25.063 1.00 0.00 C ATOM 682 O ARG A 43 10.859 -4.820 -24.961 1.00 0.00 O ATOM 683 CB ARG A 43 10.205 -7.361 -26.850 1.00 0.00 C ATOM 684 CG ARG A 43 10.557 -8.791 -27.229 1.00 0.00 C ATOM 685 CD ARG A 43 11.114 -8.872 -28.641 1.00 0.00 C ATOM 686 NE ARG A 43 11.137 -10.243 -29.143 1.00 0.00 N ATOM 687 CZ ARG A 43 12.052 -11.139 -28.791 1.00 0.00 C ATOM 688 NH1 ARG A 43 13.014 -10.810 -27.940 1.00 0.00 N ATOM 689 NH2 ARG A 43 12.006 -12.367 -29.290 1.00 0.00 N ATOM 0 H ARG A 43 8.278 -7.740 -24.889 1.00 0.00 H new ATOM 0 HA ARG A 43 11.211 -7.346 -24.951 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.214 -7.125 -27.238 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.907 -6.682 -27.334 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.289 -9.185 -26.525 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.669 -9.418 -27.150 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.510 -8.253 -29.305 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.124 -8.464 -28.656 1.00 0.00 H new ATOM 0 HE ARG A 43 10.411 -10.528 -29.800 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.053 -9.867 -27.554 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.715 -11.500 -27.671 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.267 -12.624 -29.945 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.709 -13.054 -29.019 1.00 0.00 H new ATOM 703 N ASN A 44 8.659 -5.293 -24.942 1.00 0.00 N ATOM 704 CA ASN A 44 8.254 -3.918 -24.676 1.00 0.00 C ATOM 705 C ASN A 44 9.051 -3.331 -23.515 1.00 0.00 C ATOM 706 O ASN A 44 9.676 -4.061 -22.744 1.00 0.00 O ATOM 707 CB ASN A 44 6.757 -3.857 -24.365 1.00 0.00 C ATOM 708 CG ASN A 44 6.215 -2.441 -24.407 1.00 0.00 C ATOM 709 OD1 ASN A 44 6.499 -1.683 -25.335 1.00 0.00 O ATOM 710 ND2 ASN A 44 5.432 -2.077 -23.398 1.00 0.00 N ATOM 0 H ASN A 44 7.885 -5.952 -25.024 1.00 0.00 H new ATOM 0 HA ASN A 44 8.457 -3.326 -25.568 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.214 -4.472 -25.083 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.576 -4.283 -23.378 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.039 -1.136 -23.371 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.223 -2.738 -22.650 1.00 0.00 H new ATOM 717 N LEU A 45 9.023 -2.008 -23.394 1.00 0.00 N ATOM 718 CA LEU A 45 9.742 -1.322 -22.327 1.00 0.00 C ATOM 719 C LEU A 45 8.866 -0.255 -21.679 1.00 0.00 C ATOM 720 O LEU A 45 7.921 0.241 -22.292 1.00 0.00 O ATOM 721 CB LEU A 45 11.021 -0.685 -22.873 1.00 0.00 C ATOM 722 CG LEU A 45 12.186 -0.567 -21.890 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.513 -0.753 -22.609 1.00 0.00 C ATOM 724 CD2 LEU A 45 12.147 0.776 -21.176 1.00 0.00 C ATOM 0 H LEU A 45 8.510 -1.389 -24.022 1.00 0.00 H new ATOM 0 HA LEU A 45 10.006 -2.059 -21.569 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.355 -1.267 -23.732 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.778 0.313 -23.239 1.00 0.00 H new ATOM 0 HG LEU A 45 12.088 -1.355 -21.144 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.330 -0.666 -21.893 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.541 -1.739 -23.072 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.621 0.012 -23.378 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.983 0.843 -20.480 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.220 1.580 -21.909 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.210 0.869 -20.627 1.00 0.00 H new ATOM 736 N GLN A 46 9.188 0.095 -20.437 1.00 0.00 N ATOM 737 CA GLN A 46 8.430 1.105 -19.708 1.00 0.00 C ATOM 738 C GLN A 46 9.360 2.151 -19.102 1.00 0.00 C ATOM 739 O GLN A 46 10.562 1.921 -18.960 1.00 0.00 O ATOM 740 CB GLN A 46 7.595 0.449 -18.606 1.00 0.00 C ATOM 741 CG GLN A 46 6.146 0.215 -18.999 1.00 0.00 C ATOM 742 CD GLN A 46 5.454 -0.796 -18.106 1.00 0.00 C ATOM 743 OE1 GLN A 46 4.753 -1.687 -18.584 1.00 0.00 O ATOM 744 NE2 GLN A 46 5.649 -0.661 -16.799 1.00 0.00 N ATOM 0 H GLN A 46 9.968 -0.306 -19.916 1.00 0.00 H new ATOM 0 HA GLN A 46 7.763 1.602 -20.413 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.049 -0.505 -18.337 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.624 1.078 -17.716 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.605 1.161 -18.958 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.105 -0.131 -20.032 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.239 0.093 -16.447 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.209 -1.311 -16.148 1.00 0.00 H new ATOM 753 N CYS A 47 8.798 3.301 -18.748 1.00 0.00 N ATOM 754 CA CYS A 47 9.576 4.384 -18.159 1.00 0.00 C ATOM 755 C CYS A 47 9.086 4.701 -16.749 1.00 0.00 C ATOM 756 O CYS A 47 8.121 5.445 -16.569 1.00 0.00 O ATOM 757 CB CYS A 47 9.490 5.637 -19.034 1.00 0.00 C ATOM 758 SG CYS A 47 11.069 6.113 -19.807 1.00 0.00 S ATOM 0 H CYS A 47 7.805 3.507 -18.859 1.00 0.00 H new ATOM 0 HA CYS A 47 10.615 4.061 -18.100 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.750 5.470 -19.817 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.130 6.467 -18.427 1.00 0.00 H new ATOM 763 N ILE A 48 9.758 4.132 -15.754 1.00 0.00 N ATOM 764 CA ILE A 48 9.392 4.355 -14.361 1.00 0.00 C ATOM 765 C ILE A 48 10.017 5.640 -13.827 1.00 0.00 C ATOM 766 O ILE A 48 11.172 5.950 -14.120 1.00 0.00 O ATOM 767 CB ILE A 48 9.828 3.177 -13.469 1.00 0.00 C ATOM 768 CG1 ILE A 48 9.168 1.880 -13.942 1.00 0.00 C ATOM 769 CG2 ILE A 48 9.478 3.456 -12.015 1.00 0.00 C ATOM 770 CD1 ILE A 48 7.720 1.751 -13.523 1.00 0.00 C ATOM 0 H ILE A 48 10.558 3.514 -15.887 1.00 0.00 H new ATOM 0 HA ILE A 48 8.306 4.442 -14.330 1.00 0.00 H new ATOM 0 HB ILE A 48 10.909 3.062 -13.546 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.229 1.826 -15.029 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.729 1.032 -13.548 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.792 2.615 -11.397 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.990 4.360 -11.685 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.401 3.594 -11.920 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.317 0.808 -13.893 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.653 1.773 -12.435 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.146 2.579 -13.939 1.00 0.00 H new ATOM 782 N CYS A 49 9.247 6.384 -13.040 1.00 0.00 N ATOM 783 CA CYS A 49 9.723 7.635 -12.463 1.00 0.00 C ATOM 784 C CYS A 49 10.312 7.404 -11.074 1.00 0.00 C ATOM 785 O CYS A 49 10.314 6.282 -10.568 1.00 0.00 O ATOM 786 CB CYS A 49 8.583 8.651 -12.384 1.00 0.00 C ATOM 787 SG CYS A 49 8.369 9.649 -13.893 1.00 0.00 S ATOM 0 H CYS A 49 8.289 6.141 -12.787 1.00 0.00 H new ATOM 0 HA CYS A 49 10.507 8.029 -13.109 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.653 8.122 -12.177 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.764 9.319 -11.542 1.00 0.00 H new ATOM 792 N ASP A 50 10.809 8.474 -10.464 1.00 0.00 N ATOM 793 CA ASP A 50 11.399 8.389 -9.133 1.00 0.00 C ATOM 794 C ASP A 50 11.097 9.647 -8.324 1.00 0.00 C ATOM 795 O ASP A 50 11.312 10.765 -8.792 1.00 0.00 O ATOM 796 CB ASP A 50 12.911 8.183 -9.234 1.00 0.00 C ATOM 797 CG ASP A 50 13.276 6.780 -9.678 1.00 0.00 C ATOM 798 OD1 ASP A 50 12.888 6.395 -10.801 1.00 0.00 O ATOM 799 OD2 ASP A 50 13.948 6.068 -8.903 1.00 0.00 O ATOM 0 H ASP A 50 10.815 9.410 -10.869 1.00 0.00 H new ATOM 0 HA ASP A 50 10.958 7.534 -8.620 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.327 8.904 -9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.368 8.385 -8.265 1.00 0.00 H new ATOM 804 N TYR A 51 10.597 9.456 -7.108 1.00 0.00 N ATOM 805 CA TYR A 51 10.263 10.575 -6.235 1.00 0.00 C ATOM 806 C TYR A 51 11.071 10.518 -4.942 1.00 0.00 C ATOM 807 O TYR A 51 10.590 10.909 -3.878 1.00 0.00 O ATOM 808 CB TYR A 51 8.767 10.570 -5.915 1.00 0.00 C ATOM 809 CG TYR A 51 7.906 11.108 -7.036 1.00 0.00 C ATOM 810 CD1 TYR A 51 7.680 12.473 -7.170 1.00 0.00 C ATOM 811 CD2 TYR A 51 7.319 10.253 -7.960 1.00 0.00 C ATOM 812 CE1 TYR A 51 6.894 12.969 -8.192 1.00 0.00 C ATOM 813 CE2 TYR A 51 6.533 10.741 -8.986 1.00 0.00 C ATOM 814 CZ TYR A 51 6.323 12.099 -9.098 1.00 0.00 C ATOM 815 OH TYR A 51 5.539 12.589 -10.117 1.00 0.00 O ATOM 0 H TYR A 51 10.414 8.537 -6.705 1.00 0.00 H new ATOM 0 HA TYR A 51 10.513 11.498 -6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.456 9.550 -5.687 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.594 11.164 -5.018 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.126 13.157 -6.463 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.480 9.188 -7.875 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.727 14.032 -8.281 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.085 10.062 -9.697 1.00 0.00 H new ATOM 0 HH TYR A 51 5.923 13.426 -10.452 1.00 0.00 H new ATOM 825 N CYS A 52 12.302 10.029 -5.043 1.00 0.00 N ATOM 826 CA CYS A 52 13.180 9.920 -3.884 1.00 0.00 C ATOM 827 C CYS A 52 14.622 9.673 -4.315 1.00 0.00 C ATOM 828 O CYS A 52 14.953 9.772 -5.496 1.00 0.00 O ATOM 829 CB CYS A 52 12.709 8.790 -2.966 1.00 0.00 C ATOM 830 SG CYS A 52 13.031 7.120 -3.619 1.00 0.00 S ATOM 0 H CYS A 52 12.715 9.702 -5.916 1.00 0.00 H new ATOM 0 HA CYS A 52 13.139 10.863 -3.339 1.00 0.00 H new ATOM 0 HB2 CYS A 52 13.202 8.892 -1.999 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.639 8.900 -2.791 1.00 0.00 H new ATOM 835 N GLU A 53 15.476 9.351 -3.348 1.00 0.00 N ATOM 836 CA GLU A 53 16.883 9.090 -3.628 1.00 0.00 C ATOM 837 C GLU A 53 17.443 8.041 -2.671 1.00 0.00 C ATOM 838 O GLU A 53 16.697 7.394 -1.936 1.00 0.00 O ATOM 839 CB GLU A 53 17.696 10.382 -3.518 1.00 0.00 C ATOM 840 CG GLU A 53 17.096 11.546 -4.290 1.00 0.00 C ATOM 841 CD GLU A 53 17.978 12.779 -4.263 1.00 0.00 C ATOM 842 OE1 GLU A 53 19.064 12.746 -4.877 1.00 0.00 O ATOM 843 OE2 GLU A 53 17.580 13.778 -3.628 1.00 0.00 O ATOM 0 H GLU A 53 15.218 9.265 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 53 16.959 8.706 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.782 10.659 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 53 18.707 10.198 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.931 11.245 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.121 11.792 -3.870 1.00 0.00 H new ATOM 850 N TYR A 54 18.761 7.879 -2.687 1.00 0.00 N ATOM 851 CA TYR A 54 19.422 6.907 -1.824 1.00 0.00 C ATOM 852 C TYR A 54 18.832 5.514 -2.021 1.00 0.00 C ATOM 853 O TYR A 54 18.410 5.158 -3.120 1.00 0.00 O ATOM 854 CB TYR A 54 19.292 7.325 -0.358 1.00 0.00 C ATOM 855 CG TYR A 54 20.162 6.519 0.581 1.00 0.00 C ATOM 856 CD1 TYR A 54 21.547 6.573 0.495 1.00 0.00 C ATOM 857 CD2 TYR A 54 19.597 5.703 1.553 1.00 0.00 C ATOM 858 CE1 TYR A 54 22.345 5.837 1.350 1.00 0.00 C ATOM 859 CE2 TYR A 54 20.387 4.965 2.413 1.00 0.00 C ATOM 860 CZ TYR A 54 21.760 5.035 2.307 1.00 0.00 C ATOM 861 OH TYR A 54 22.552 4.302 3.162 1.00 0.00 O ATOM 0 H TYR A 54 19.393 8.408 -3.288 1.00 0.00 H new ATOM 0 HA TYR A 54 20.477 6.877 -2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 54 19.552 8.380 -0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 54 18.251 7.225 -0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 54 22.008 7.201 -0.253 1.00 0.00 H new ATOM 0 HD2 TYR A 54 18.522 5.645 1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 54 23.421 5.890 1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 54 19.932 4.337 3.164 1.00 0.00 H new ATOM 0 HH TYR A 54 21.985 3.791 3.776 1.00 0.00 H new TER 871 TYR A 54