USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 Single : A 1 LEU N :NH3+ -134:sc= 0.683 (180deg=-0.0414) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -3.09! C(o=-3.1!,f=-3.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= -6.91! (180deg=-9.26!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -116:sc= 0.341 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -2.53 K(o=-2.5,f=-13!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= 1.27 (180deg=1.12) USER MOD Single : A 24 MET CE :methyl -128:sc= -3.38! (180deg=-5.34!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 145:sc= -1.53! USER MOD Single : A 31 LYS NZ :NH3+ 173:sc=-0.000474 (180deg=-0.0353) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.0252 (180deg=-0.376) USER MOD Single : A 45 SER OG : rot -65:sc= 0.267 USER MOD Single : A 46 SER OG : rot 131:sc= 0.155 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 110:sc= 0.577 USER MOD Single : A 55 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.35) USER MOD Single : A 56 THR OG1 : rot 79:sc= 1.45 USER MOD Single : A 60 ASN : amide:sc= -2.48! C(o=-2.5!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 10.081 6.192 -0.153 1.00 0.00 N ATOM 2 CA LEU A 1 11.535 5.895 -0.034 1.00 0.00 C ATOM 3 C LEU A 1 11.773 4.398 -0.254 1.00 0.00 C ATOM 4 O LEU A 1 12.226 3.981 -1.301 1.00 0.00 O ATOM 5 CB LEU A 1 12.025 6.295 1.361 1.00 0.00 C ATOM 6 CG LEU A 1 12.414 7.776 1.360 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.586 8.523 2.408 1.00 0.00 C ATOM 8 CD2 LEU A 1 13.901 7.917 1.694 1.00 0.00 C ATOM 0 H1 LEU A 1 9.946 7.034 -0.749 1.00 0.00 H new ATOM 0 H2 LEU A 1 9.595 5.380 -0.585 1.00 0.00 H new ATOM 0 H3 LEU A 1 9.685 6.370 0.792 1.00 0.00 H new ATOM 0 HA LEU A 1 12.084 6.461 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.243 6.114 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.881 5.683 1.647 1.00 0.00 H new ATOM 0 HG LEU A 1 12.221 8.198 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.863 9.577 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 1 10.526 8.426 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.778 8.098 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 1 14.176 8.972 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 1 14.094 7.493 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.493 7.387 0.948 1.00 0.00 H new ATOM 22 N LYS A 2 11.473 3.584 0.723 1.00 0.00 N ATOM 23 CA LYS A 2 11.688 2.117 0.559 1.00 0.00 C ATOM 24 C LYS A 2 10.641 1.345 1.366 1.00 0.00 C ATOM 25 O LYS A 2 10.757 1.195 2.566 1.00 0.00 O ATOM 26 CB LYS A 2 13.084 1.749 1.069 1.00 0.00 C ATOM 27 CG LYS A 2 14.041 1.591 -0.113 1.00 0.00 C ATOM 28 CD LYS A 2 15.433 2.080 0.292 1.00 0.00 C ATOM 29 CE LYS A 2 16.477 1.500 -0.662 1.00 0.00 C ATOM 30 NZ LYS A 2 17.767 2.228 -0.492 1.00 0.00 N ATOM 0 H LYS A 2 11.090 3.870 1.624 1.00 0.00 H new ATOM 0 HA LYS A 2 11.597 1.857 -0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.450 2.522 1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.040 0.822 1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.086 0.547 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.678 2.161 -0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.468 3.169 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.653 1.777 1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.618 0.438 -0.461 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.131 1.587 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.477 1.833 -1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.627 3.236 -0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.098 2.123 0.488 1.00 0.00 H new ATOM 44 N CYS A 3 9.623 0.843 0.719 1.00 0.00 N ATOM 45 CA CYS A 3 8.580 0.074 1.462 1.00 0.00 C ATOM 46 C CYS A 3 8.585 -1.377 0.975 1.00 0.00 C ATOM 47 O CYS A 3 9.550 -1.847 0.409 1.00 0.00 O ATOM 48 CB CYS A 3 7.179 0.677 1.244 1.00 0.00 C ATOM 49 SG CYS A 3 7.257 2.176 0.224 1.00 0.00 S ATOM 0 H CYS A 3 9.468 0.931 -0.285 1.00 0.00 H new ATOM 0 HA CYS A 3 8.811 0.121 2.526 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.535 -0.059 0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.729 0.914 2.208 1.00 0.00 H new ATOM 54 N ASN A 4 7.516 -2.096 1.195 1.00 0.00 N ATOM 55 CA ASN A 4 7.472 -3.517 0.745 1.00 0.00 C ATOM 56 C ASN A 4 6.383 -3.688 -0.317 1.00 0.00 C ATOM 57 O ASN A 4 5.419 -2.950 -0.358 1.00 0.00 O ATOM 58 CB ASN A 4 7.170 -4.426 1.940 1.00 0.00 C ATOM 59 CG ASN A 4 8.142 -5.608 1.940 1.00 0.00 C ATOM 60 OD1 ASN A 4 9.321 -5.440 2.179 1.00 0.00 O ATOM 61 ND2 ASN A 4 7.696 -6.807 1.678 1.00 0.00 N ATOM 0 H ASN A 4 6.675 -1.762 1.665 1.00 0.00 H new ATOM 0 HA ASN A 4 8.438 -3.789 0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.263 -3.865 2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.143 -4.786 1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.337 -7.600 1.674 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.706 -6.950 1.477 1.00 0.00 H new ATOM 68 N LYS A 5 6.535 -4.655 -1.180 1.00 0.00 N ATOM 69 CA LYS A 5 5.519 -4.880 -2.244 1.00 0.00 C ATOM 70 C LYS A 5 4.715 -6.141 -1.924 1.00 0.00 C ATOM 71 O LYS A 5 4.548 -6.507 -0.778 1.00 0.00 O ATOM 72 CB LYS A 5 6.230 -5.059 -3.587 1.00 0.00 C ATOM 73 CG LYS A 5 5.444 -4.342 -4.683 1.00 0.00 C ATOM 74 CD LYS A 5 6.415 -3.809 -5.737 1.00 0.00 C ATOM 75 CE LYS A 5 5.768 -2.643 -6.484 1.00 0.00 C ATOM 76 NZ LYS A 5 5.662 -2.979 -7.931 1.00 0.00 N ATOM 0 H LYS A 5 7.324 -5.302 -1.193 1.00 0.00 H new ATOM 0 HA LYS A 5 4.846 -4.024 -2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.242 -4.659 -3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.320 -6.119 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.731 -5.027 -5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.868 -3.522 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.340 -3.482 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.679 -4.601 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.779 -2.438 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.362 -1.738 -6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.222 -2.186 -8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.612 -3.154 -8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.078 -3.832 -8.048 1.00 0.00 H new ATOM 90 N LEU A 6 4.219 -6.811 -2.929 1.00 0.00 N ATOM 91 CA LEU A 6 3.430 -8.051 -2.679 1.00 0.00 C ATOM 92 C LEU A 6 4.026 -9.209 -3.485 1.00 0.00 C ATOM 93 O LEU A 6 4.860 -9.950 -3.001 1.00 0.00 O ATOM 94 CB LEU A 6 1.969 -7.837 -3.094 1.00 0.00 C ATOM 95 CG LEU A 6 1.886 -6.774 -4.193 1.00 0.00 C ATOM 96 CD1 LEU A 6 0.614 -6.988 -5.014 1.00 0.00 C ATOM 97 CD2 LEU A 6 1.850 -5.384 -3.556 1.00 0.00 C ATOM 0 H LEU A 6 4.326 -6.554 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 6 3.468 -8.288 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.543 -8.775 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.379 -7.527 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 6 2.757 -6.855 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.554 -6.232 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.636 -7.979 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.257 -6.907 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.791 -4.627 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.978 -5.304 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.755 -5.229 -2.969 1.00 0.00 H new ATOM 109 N VAL A 7 3.601 -9.375 -4.707 1.00 0.00 N ATOM 110 CA VAL A 7 4.138 -10.489 -5.541 1.00 0.00 C ATOM 111 C VAL A 7 5.440 -10.072 -6.248 1.00 0.00 C ATOM 112 O VAL A 7 6.374 -10.847 -6.301 1.00 0.00 O ATOM 113 CB VAL A 7 3.096 -10.899 -6.585 1.00 0.00 C ATOM 114 CG1 VAL A 7 3.597 -12.124 -7.351 1.00 0.00 C ATOM 115 CG2 VAL A 7 1.780 -11.244 -5.884 1.00 0.00 C ATOM 0 H VAL A 7 2.905 -8.787 -5.165 1.00 0.00 H new ATOM 0 HA VAL A 7 4.357 -11.332 -4.886 1.00 0.00 H new ATOM 0 HB VAL A 7 2.935 -10.074 -7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.856 -12.417 -8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.535 -11.882 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.758 -12.948 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.038 -11.536 -6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 7 1.943 -12.069 -5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.421 -10.373 -5.335 1.00 0.00 H new ATOM 125 N PRO A 8 5.474 -8.871 -6.784 1.00 0.00 N ATOM 126 CA PRO A 8 6.662 -8.367 -7.496 1.00 0.00 C ATOM 127 C PRO A 8 7.727 -7.893 -6.502 1.00 0.00 C ATOM 128 O PRO A 8 7.550 -6.912 -5.808 1.00 0.00 O ATOM 129 CB PRO A 8 6.119 -7.196 -8.319 1.00 0.00 C ATOM 130 CG PRO A 8 4.819 -6.736 -7.619 1.00 0.00 C ATOM 131 CD PRO A 8 4.355 -7.907 -6.733 1.00 0.00 C ATOM 0 HA PRO A 8 7.144 -9.126 -8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.844 -6.384 -8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.920 -7.502 -9.346 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.998 -5.844 -7.019 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.055 -6.479 -8.352 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.159 -7.580 -5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.432 -8.349 -7.109 1.00 0.00 H new ATOM 139 N LEU A 9 8.833 -8.584 -6.431 1.00 0.00 N ATOM 140 CA LEU A 9 9.910 -8.175 -5.486 1.00 0.00 C ATOM 141 C LEU A 9 9.326 -8.006 -4.082 1.00 0.00 C ATOM 142 O LEU A 9 8.138 -8.147 -3.873 1.00 0.00 O ATOM 143 CB LEU A 9 10.516 -6.850 -5.950 1.00 0.00 C ATOM 144 CG LEU A 9 10.967 -6.978 -7.406 1.00 0.00 C ATOM 145 CD1 LEU A 9 10.761 -5.643 -8.125 1.00 0.00 C ATOM 146 CD2 LEU A 9 12.449 -7.356 -7.450 1.00 0.00 C ATOM 0 H LEU A 9 9.037 -9.414 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 9 10.684 -8.942 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.783 -6.049 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.363 -6.584 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 9 10.379 -7.751 -7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.083 -5.735 -9.162 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.705 -5.373 -8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 9 11.348 -4.869 -7.630 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.771 -7.447 -8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.037 -6.583 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.597 -8.307 -6.939 1.00 0.00 H new ATOM 158 N PHE A 10 10.153 -7.704 -3.118 1.00 0.00 N ATOM 159 CA PHE A 10 9.643 -7.524 -1.729 1.00 0.00 C ATOM 160 C PHE A 10 9.878 -6.080 -1.284 1.00 0.00 C ATOM 161 O PHE A 10 9.260 -5.598 -0.358 1.00 0.00 O ATOM 162 CB PHE A 10 10.374 -8.478 -0.776 1.00 0.00 C ATOM 163 CG PHE A 10 11.765 -8.753 -1.295 1.00 0.00 C ATOM 164 CD1 PHE A 10 11.946 -9.587 -2.404 1.00 0.00 C ATOM 165 CD2 PHE A 10 12.874 -8.174 -0.665 1.00 0.00 C ATOM 166 CE1 PHE A 10 13.236 -9.842 -2.885 1.00 0.00 C ATOM 167 CE2 PHE A 10 14.163 -8.429 -1.146 1.00 0.00 C ATOM 168 CZ PHE A 10 14.344 -9.263 -2.256 1.00 0.00 C ATOM 0 H PHE A 10 11.158 -7.574 -3.232 1.00 0.00 H new ATOM 0 HA PHE A 10 8.576 -7.745 -1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.428 -8.040 0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.819 -9.412 -0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.091 -10.034 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.734 -7.531 0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.376 -10.485 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 10 15.018 -7.982 -0.661 1.00 0.00 H new ATOM 0 HZ PHE A 10 15.339 -9.460 -2.627 1.00 0.00 H new ATOM 178 N TYR A 11 10.766 -5.383 -1.938 1.00 0.00 N ATOM 179 CA TYR A 11 11.035 -3.971 -1.547 1.00 0.00 C ATOM 180 C TYR A 11 10.701 -3.043 -2.718 1.00 0.00 C ATOM 181 O TYR A 11 10.763 -3.433 -3.867 1.00 0.00 O ATOM 182 CB TYR A 11 12.512 -3.816 -1.180 1.00 0.00 C ATOM 183 CG TYR A 11 13.366 -4.140 -2.382 1.00 0.00 C ATOM 184 CD1 TYR A 11 13.718 -5.467 -2.656 1.00 0.00 C ATOM 185 CD2 TYR A 11 13.806 -3.111 -3.223 1.00 0.00 C ATOM 186 CE1 TYR A 11 14.510 -5.765 -3.770 1.00 0.00 C ATOM 187 CE2 TYR A 11 14.598 -3.409 -4.337 1.00 0.00 C ATOM 188 CZ TYR A 11 14.950 -4.736 -4.611 1.00 0.00 C ATOM 189 OH TYR A 11 15.731 -5.029 -5.709 1.00 0.00 O ATOM 0 H TYR A 11 11.316 -5.729 -2.724 1.00 0.00 H new ATOM 0 HA TYR A 11 10.417 -3.709 -0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 11 12.709 -2.798 -0.844 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.764 -4.479 -0.352 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.378 -6.261 -2.007 1.00 0.00 H new ATOM 0 HD2 TYR A 11 13.534 -2.087 -3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.782 -6.789 -3.981 1.00 0.00 H new ATOM 0 HE2 TYR A 11 14.938 -2.615 -4.986 1.00 0.00 H new ATOM 0 HH TYR A 11 15.948 -4.201 -6.186 1.00 0.00 H new ATOM 199 N LYS A 12 10.349 -1.817 -2.438 1.00 0.00 N ATOM 200 CA LYS A 12 10.015 -0.871 -3.537 1.00 0.00 C ATOM 201 C LYS A 12 10.674 0.487 -3.266 1.00 0.00 C ATOM 202 O LYS A 12 10.641 0.996 -2.161 1.00 0.00 O ATOM 203 CB LYS A 12 8.486 -0.717 -3.637 1.00 0.00 C ATOM 204 CG LYS A 12 7.997 0.447 -2.760 1.00 0.00 C ATOM 205 CD LYS A 12 6.481 0.351 -2.563 1.00 0.00 C ATOM 206 CE LYS A 12 5.803 0.035 -3.898 1.00 0.00 C ATOM 207 NZ LYS A 12 5.363 -1.389 -3.906 1.00 0.00 N ATOM 0 H LYS A 12 10.279 -1.432 -1.496 1.00 0.00 H new ATOM 0 HA LYS A 12 10.392 -1.260 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.201 -0.542 -4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.001 -1.642 -3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.500 0.422 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.252 1.398 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.248 -0.425 -1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.097 1.289 -2.163 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.947 0.692 -4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.493 0.218 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.581 -1.507 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.159 -1.997 -4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.042 -1.658 -2.954 1.00 0.00 H new ATOM 221 N THR A 13 11.265 1.076 -4.271 1.00 0.00 N ATOM 222 CA THR A 13 11.921 2.401 -4.086 1.00 0.00 C ATOM 223 C THR A 13 10.982 3.498 -4.593 1.00 0.00 C ATOM 224 O THR A 13 10.728 3.610 -5.776 1.00 0.00 O ATOM 225 CB THR A 13 13.231 2.432 -4.883 1.00 0.00 C ATOM 226 OG1 THR A 13 14.213 1.664 -4.203 1.00 0.00 O ATOM 227 CG2 THR A 13 13.721 3.874 -5.026 1.00 0.00 C ATOM 0 H THR A 13 11.321 0.694 -5.215 1.00 0.00 H new ATOM 0 HA THR A 13 12.137 2.566 -3.030 1.00 0.00 H new ATOM 0 HB THR A 13 13.058 2.014 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.051 1.681 -4.711 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.652 3.887 -5.593 1.00 0.00 H new ATOM 0 HG22 THR A 13 12.969 4.464 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.892 4.300 -4.037 1.00 0.00 H new ATOM 235 N CYS A 14 10.460 4.307 -3.711 1.00 0.00 N ATOM 236 CA CYS A 14 9.536 5.389 -4.155 1.00 0.00 C ATOM 237 C CYS A 14 9.899 6.704 -3.458 1.00 0.00 C ATOM 238 O CYS A 14 9.085 7.279 -2.763 1.00 0.00 O ATOM 239 CB CYS A 14 8.102 5.004 -3.796 1.00 0.00 C ATOM 240 SG CYS A 14 8.069 4.315 -2.123 1.00 0.00 S ATOM 0 H CYS A 14 10.633 4.266 -2.707 1.00 0.00 H new ATOM 0 HA CYS A 14 9.625 5.520 -5.233 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.453 5.878 -3.855 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.720 4.274 -4.510 1.00 0.00 H new ATOM 245 N PRO A 15 11.112 7.145 -3.671 1.00 0.00 N ATOM 246 CA PRO A 15 11.617 8.396 -3.081 1.00 0.00 C ATOM 247 C PRO A 15 11.096 9.600 -3.867 1.00 0.00 C ATOM 248 O PRO A 15 10.303 10.381 -3.379 1.00 0.00 O ATOM 249 CB PRO A 15 13.136 8.272 -3.225 1.00 0.00 C ATOM 250 CG PRO A 15 13.384 7.264 -4.373 1.00 0.00 C ATOM 251 CD PRO A 15 12.094 6.436 -4.516 1.00 0.00 C ATOM 0 HA PRO A 15 11.301 8.543 -2.048 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.585 9.239 -3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.587 7.922 -2.296 1.00 0.00 H new ATOM 0 HG2 PRO A 15 13.616 7.784 -5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.234 6.621 -4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.765 6.388 -5.554 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.241 5.409 -4.180 1.00 0.00 H new ATOM 259 N ALA A 16 11.542 9.753 -5.081 1.00 0.00 N ATOM 260 CA ALA A 16 11.082 10.904 -5.908 1.00 0.00 C ATOM 261 C ALA A 16 9.733 10.573 -6.545 1.00 0.00 C ATOM 262 O ALA A 16 8.862 11.413 -6.652 1.00 0.00 O ATOM 263 CB ALA A 16 12.111 11.186 -7.005 1.00 0.00 C ATOM 0 H ALA A 16 12.207 9.129 -5.538 1.00 0.00 H new ATOM 0 HA ALA A 16 10.974 11.785 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.776 12.028 -7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.072 11.427 -6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.220 10.305 -7.637 1.00 0.00 H new ATOM 269 N GLY A 17 9.551 9.354 -6.968 1.00 0.00 N ATOM 270 CA GLY A 17 8.254 8.970 -7.597 1.00 0.00 C ATOM 271 C GLY A 17 7.108 9.328 -6.649 1.00 0.00 C ATOM 272 O GLY A 17 6.178 10.020 -7.014 1.00 0.00 O ATOM 0 H GLY A 17 10.242 8.607 -6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.130 9.488 -8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.243 7.902 -7.812 1.00 0.00 H new ATOM 276 N LYS A 18 7.170 8.861 -5.432 1.00 0.00 N ATOM 277 CA LYS A 18 6.091 9.172 -4.452 1.00 0.00 C ATOM 278 C LYS A 18 6.731 9.529 -3.104 1.00 0.00 C ATOM 279 O LYS A 18 7.711 10.245 -3.054 1.00 0.00 O ATOM 280 CB LYS A 18 5.179 7.952 -4.302 1.00 0.00 C ATOM 281 CG LYS A 18 4.529 7.643 -5.651 1.00 0.00 C ATOM 282 CD LYS A 18 4.738 6.168 -5.999 1.00 0.00 C ATOM 283 CE LYS A 18 4.295 5.919 -7.441 1.00 0.00 C ATOM 284 NZ LYS A 18 3.029 5.133 -7.446 1.00 0.00 N ATOM 0 H LYS A 18 7.924 8.275 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 18 5.496 10.016 -4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.754 7.093 -3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.413 8.146 -3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.464 7.870 -5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.962 8.274 -6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.787 5.899 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.167 5.538 -5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.148 6.868 -7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.072 5.380 -7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.197 4.208 -7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.703 4.994 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.303 5.648 -7.983 1.00 0.00 H new ATOM 298 N ASN A 19 6.199 9.045 -2.011 1.00 0.00 N ATOM 299 CA ASN A 19 6.810 9.382 -0.692 1.00 0.00 C ATOM 300 C ASN A 19 6.143 8.577 0.425 1.00 0.00 C ATOM 301 O ASN A 19 6.776 8.217 1.398 1.00 0.00 O ATOM 302 CB ASN A 19 6.639 10.877 -0.409 1.00 0.00 C ATOM 303 CG ASN A 19 5.374 11.395 -1.096 1.00 0.00 C ATOM 304 OD1 ASN A 19 4.396 10.683 -1.210 1.00 0.00 O ATOM 305 ND2 ASN A 19 5.353 12.613 -1.563 1.00 0.00 N ATOM 0 H ASN A 19 5.379 8.439 -1.974 1.00 0.00 H new ATOM 0 HA ASN A 19 7.871 9.133 -0.726 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.576 11.048 0.666 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.509 11.426 -0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.515 12.968 -2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.174 13.210 -1.467 1.00 0.00 H new ATOM 312 N LEU A 20 4.873 8.298 0.313 1.00 0.00 N ATOM 313 CA LEU A 20 4.197 7.527 1.395 1.00 0.00 C ATOM 314 C LEU A 20 4.046 6.060 0.986 1.00 0.00 C ATOM 315 O LEU A 20 3.951 5.733 -0.178 1.00 0.00 O ATOM 316 CB LEU A 20 2.816 8.129 1.657 1.00 0.00 C ATOM 317 CG LEU A 20 2.961 9.346 2.570 1.00 0.00 C ATOM 318 CD1 LEU A 20 3.847 10.392 1.890 1.00 0.00 C ATOM 319 CD2 LEU A 20 1.580 9.947 2.842 1.00 0.00 C ATOM 0 H LEU A 20 4.280 8.567 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 20 4.801 7.580 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.349 8.419 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.165 7.388 2.121 1.00 0.00 H new ATOM 0 HG LEU A 20 3.417 9.041 3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.950 11.260 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.831 9.965 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.392 10.697 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.683 10.815 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.124 10.252 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.948 9.203 3.327 1.00 0.00 H new ATOM 331 N CYS A 21 4.010 5.176 1.944 1.00 0.00 N ATOM 332 CA CYS A 21 3.848 3.732 1.630 1.00 0.00 C ATOM 333 C CYS A 21 2.572 3.235 2.304 1.00 0.00 C ATOM 334 O CYS A 21 2.396 3.384 3.497 1.00 0.00 O ATOM 335 CB CYS A 21 5.055 2.948 2.154 1.00 0.00 C ATOM 336 SG CYS A 21 6.577 3.632 1.449 1.00 0.00 S ATOM 0 H CYS A 21 4.087 5.395 2.937 1.00 0.00 H new ATOM 0 HA CYS A 21 3.782 3.587 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.091 3.000 3.242 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.961 1.895 1.889 1.00 0.00 H new ATOM 341 N TYR A 22 1.662 2.672 1.556 1.00 0.00 N ATOM 342 CA TYR A 22 0.394 2.207 2.179 1.00 0.00 C ATOM 343 C TYR A 22 0.051 0.783 1.749 1.00 0.00 C ATOM 344 O TYR A 22 0.681 0.198 0.889 1.00 0.00 O ATOM 345 CB TYR A 22 -0.743 3.136 1.754 1.00 0.00 C ATOM 346 CG TYR A 22 -0.951 3.023 0.261 1.00 0.00 C ATOM 347 CD1 TYR A 22 0.007 3.538 -0.620 1.00 0.00 C ATOM 348 CD2 TYR A 22 -2.099 2.399 -0.240 1.00 0.00 C ATOM 349 CE1 TYR A 22 -0.184 3.431 -2.003 1.00 0.00 C ATOM 350 CE2 TYR A 22 -2.291 2.292 -1.623 1.00 0.00 C ATOM 351 CZ TYR A 22 -1.334 2.807 -2.505 1.00 0.00 C ATOM 352 OH TYR A 22 -1.523 2.700 -3.867 1.00 0.00 O ATOM 0 H TYR A 22 1.741 2.516 0.551 1.00 0.00 H new ATOM 0 HA TYR A 22 0.522 2.221 3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.660 2.872 2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.506 4.165 2.023 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.894 4.018 -0.233 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.837 2.000 0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.555 3.829 -2.683 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.178 1.812 -2.009 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.370 2.240 -4.045 1.00 0.00 H new ATOM 362 N LYS A 23 -0.972 0.242 2.348 1.00 0.00 N ATOM 363 CA LYS A 23 -1.428 -1.133 2.012 1.00 0.00 C ATOM 364 C LYS A 23 -2.951 -1.097 1.881 1.00 0.00 C ATOM 365 O LYS A 23 -3.653 -0.772 2.819 1.00 0.00 O ATOM 366 CB LYS A 23 -1.025 -2.098 3.130 1.00 0.00 C ATOM 367 CG LYS A 23 0.469 -1.944 3.422 1.00 0.00 C ATOM 368 CD LYS A 23 0.679 -1.710 4.920 1.00 0.00 C ATOM 369 CE LYS A 23 0.525 -3.033 5.671 1.00 0.00 C ATOM 370 NZ LYS A 23 1.701 -3.238 6.565 1.00 0.00 N ATOM 0 H LYS A 23 -1.522 0.706 3.071 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.973 -1.473 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.605 -1.892 4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.245 -3.124 2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.006 -2.838 3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.877 -1.109 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.670 -1.292 5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.044 -0.984 5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.394 -3.026 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.445 -3.858 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.750 -4.237 6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.572 -2.980 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.603 -2.640 7.411 1.00 0.00 H new ATOM 384 N MET A 24 -3.469 -1.397 0.725 1.00 0.00 N ATOM 385 CA MET A 24 -4.945 -1.345 0.544 1.00 0.00 C ATOM 386 C MET A 24 -5.523 -2.755 0.446 1.00 0.00 C ATOM 387 O MET A 24 -5.078 -3.572 -0.339 1.00 0.00 O ATOM 388 CB MET A 24 -5.273 -0.575 -0.735 1.00 0.00 C ATOM 389 CG MET A 24 -6.759 -0.216 -0.745 1.00 0.00 C ATOM 390 SD MET A 24 -7.030 1.195 -1.844 1.00 0.00 S ATOM 391 CE MET A 24 -7.081 0.267 -3.396 1.00 0.00 C ATOM 0 H MET A 24 -2.937 -1.675 -0.100 1.00 0.00 H new ATOM 0 HA MET A 24 -5.386 -0.843 1.405 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.669 0.330 -0.793 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.028 -1.178 -1.609 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.348 -1.070 -1.080 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.093 0.026 0.264 1.00 0.00 H new ATOM 0 HE1 MET A 24 -6.384 0.710 -4.108 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.800 -0.770 -3.210 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.090 0.301 -3.807 1.00 0.00 H new ATOM 401 N PHE A 25 -6.523 -3.037 1.236 1.00 0.00 N ATOM 402 CA PHE A 25 -7.157 -4.388 1.196 1.00 0.00 C ATOM 403 C PHE A 25 -8.655 -4.226 0.926 1.00 0.00 C ATOM 404 O PHE A 25 -9.228 -3.193 1.191 1.00 0.00 O ATOM 405 CB PHE A 25 -6.961 -5.115 2.536 1.00 0.00 C ATOM 406 CG PHE A 25 -6.437 -4.166 3.590 1.00 0.00 C ATOM 407 CD1 PHE A 25 -7.326 -3.394 4.346 1.00 0.00 C ATOM 408 CD2 PHE A 25 -5.058 -4.068 3.815 1.00 0.00 C ATOM 409 CE1 PHE A 25 -6.837 -2.524 5.328 1.00 0.00 C ATOM 410 CE2 PHE A 25 -4.569 -3.197 4.795 1.00 0.00 C ATOM 411 CZ PHE A 25 -5.458 -2.425 5.552 1.00 0.00 C ATOM 0 H PHE A 25 -6.930 -2.389 1.910 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.690 -4.976 0.406 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.908 -5.543 2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.264 -5.943 2.407 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.389 -3.469 4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.372 -4.665 3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.523 -1.929 5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.506 -3.120 4.967 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.081 -1.753 6.309 1.00 0.00 H new ATOM 421 N MET A 26 -9.299 -5.232 0.403 1.00 0.00 N ATOM 422 CA MET A 26 -10.758 -5.109 0.128 1.00 0.00 C ATOM 423 C MET A 26 -11.550 -5.781 1.251 1.00 0.00 C ATOM 424 O MET A 26 -11.039 -6.625 1.972 1.00 0.00 O ATOM 425 CB MET A 26 -11.091 -5.788 -1.204 1.00 0.00 C ATOM 426 CG MET A 26 -10.530 -4.958 -2.360 1.00 0.00 C ATOM 427 SD MET A 26 -11.832 -4.680 -3.586 1.00 0.00 S ATOM 428 CE MET A 26 -10.846 -3.713 -4.755 1.00 0.00 C ATOM 0 H MET A 26 -8.881 -6.129 0.155 1.00 0.00 H new ATOM 0 HA MET A 26 -11.025 -4.054 0.074 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.669 -6.793 -1.227 1.00 0.00 H new ATOM 0 HB3 MET A 26 -12.171 -5.893 -1.310 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.155 -4.004 -1.989 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.687 -5.476 -2.819 1.00 0.00 H new ATOM 0 HE1 MET A 26 -11.465 -3.430 -5.606 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.475 -2.815 -4.262 1.00 0.00 H new ATOM 0 HE3 MET A 26 -10.003 -4.311 -5.102 1.00 0.00 H new ATOM 438 N VAL A 27 -12.795 -5.407 1.400 1.00 0.00 N ATOM 439 CA VAL A 27 -13.642 -6.004 2.469 1.00 0.00 C ATOM 440 C VAL A 27 -14.534 -7.091 1.867 1.00 0.00 C ATOM 441 O VAL A 27 -15.053 -7.934 2.572 1.00 0.00 O ATOM 442 CB VAL A 27 -14.518 -4.914 3.093 1.00 0.00 C ATOM 443 CG1 VAL A 27 -15.229 -5.472 4.327 1.00 0.00 C ATOM 444 CG2 VAL A 27 -13.642 -3.729 3.504 1.00 0.00 C ATOM 0 H VAL A 27 -13.262 -4.709 0.821 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.003 -6.442 3.236 1.00 0.00 H new ATOM 0 HB VAL A 27 -15.259 -4.585 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.852 -4.695 4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.854 -6.316 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.488 -5.803 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.265 -2.953 3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.901 -4.060 4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.135 -3.329 2.626 1.00 0.00 H new ATOM 454 N ALA A 28 -14.712 -7.085 0.569 1.00 0.00 N ATOM 455 CA ALA A 28 -15.563 -8.131 -0.071 1.00 0.00 C ATOM 456 C ALA A 28 -15.227 -9.479 0.562 1.00 0.00 C ATOM 457 O ALA A 28 -16.090 -10.283 0.854 1.00 0.00 O ATOM 458 CB ALA A 28 -15.268 -8.180 -1.572 1.00 0.00 C ATOM 0 H ALA A 28 -14.306 -6.403 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.618 -7.901 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.889 -8.944 -2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -15.488 -7.210 -2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.217 -8.421 -1.728 1.00 0.00 H new ATOM 464 N THR A 29 -13.968 -9.709 0.800 1.00 0.00 N ATOM 465 CA THR A 29 -13.536 -10.977 1.444 1.00 0.00 C ATOM 466 C THR A 29 -13.201 -10.648 2.905 1.00 0.00 C ATOM 467 O THR A 29 -13.488 -9.555 3.349 1.00 0.00 O ATOM 468 CB THR A 29 -12.300 -11.517 0.712 1.00 0.00 C ATOM 469 OG1 THR A 29 -11.126 -11.041 1.355 1.00 0.00 O ATOM 470 CG2 THR A 29 -12.311 -11.051 -0.746 1.00 0.00 C ATOM 0 H THR A 29 -13.211 -9.064 0.573 1.00 0.00 H new ATOM 0 HA THR A 29 -14.315 -11.738 1.400 1.00 0.00 H new ATOM 0 HB THR A 29 -12.315 -12.607 0.737 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.430 -11.730 1.316 1.00 0.00 H new ATOM 0 HG21 THR A 29 -11.430 -11.438 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 29 -13.210 -11.421 -1.239 1.00 0.00 H new ATOM 0 HG23 THR A 29 -12.300 -9.962 -0.780 1.00 0.00 H new ATOM 478 N PRO A 30 -12.608 -11.573 3.620 1.00 0.00 N ATOM 479 CA PRO A 30 -12.246 -11.338 5.027 1.00 0.00 C ATOM 480 C PRO A 30 -10.985 -10.472 5.106 1.00 0.00 C ATOM 481 O PRO A 30 -9.908 -10.948 5.406 1.00 0.00 O ATOM 482 CB PRO A 30 -12.000 -12.745 5.578 1.00 0.00 C ATOM 483 CG PRO A 30 -11.688 -13.644 4.360 1.00 0.00 C ATOM 484 CD PRO A 30 -12.244 -12.917 3.120 1.00 0.00 C ATOM 0 HA PRO A 30 -13.011 -10.806 5.592 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.169 -12.746 6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.875 -13.110 6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.615 -13.807 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.151 -14.624 4.474 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.500 -12.858 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.109 -13.437 2.708 1.00 0.00 H new ATOM 492 N LYS A 31 -11.114 -9.198 4.835 1.00 0.00 N ATOM 493 CA LYS A 31 -9.929 -8.296 4.888 1.00 0.00 C ATOM 494 C LYS A 31 -8.798 -8.909 4.062 1.00 0.00 C ATOM 495 O LYS A 31 -8.084 -9.777 4.525 1.00 0.00 O ATOM 496 CB LYS A 31 -9.482 -8.137 6.343 1.00 0.00 C ATOM 497 CG LYS A 31 -10.714 -8.066 7.249 1.00 0.00 C ATOM 498 CD LYS A 31 -10.749 -9.290 8.167 1.00 0.00 C ATOM 499 CE LYS A 31 -12.031 -9.267 9.001 1.00 0.00 C ATOM 500 NZ LYS A 31 -13.176 -9.731 8.167 1.00 0.00 N ATOM 0 H LYS A 31 -11.991 -8.745 4.579 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.186 -7.318 4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.850 -8.976 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.883 -7.233 6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.688 -7.153 7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.620 -8.026 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.705 -10.204 7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.877 -9.292 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.920 -9.909 9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.220 -8.258 9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.023 -9.829 8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.361 -9.037 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.945 -10.651 7.741 1.00 0.00 H new ATOM 514 N VAL A 32 -8.630 -8.479 2.837 1.00 0.00 N ATOM 515 CA VAL A 32 -7.542 -9.067 1.997 1.00 0.00 C ATOM 516 C VAL A 32 -6.649 -7.958 1.421 1.00 0.00 C ATOM 517 O VAL A 32 -7.123 -7.096 0.712 1.00 0.00 O ATOM 518 CB VAL A 32 -8.164 -9.857 0.844 1.00 0.00 C ATOM 519 CG1 VAL A 32 -9.196 -8.987 0.124 1.00 0.00 C ATOM 520 CG2 VAL A 32 -7.066 -10.264 -0.141 1.00 0.00 C ATOM 0 H VAL A 32 -9.191 -7.756 2.386 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.935 -9.725 2.619 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.653 -10.748 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.638 -9.551 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.977 -8.694 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.709 -8.095 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.506 -10.827 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.579 -9.371 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.330 -10.884 0.371 1.00 0.00 H new ATOM 530 N PRO A 33 -5.374 -8.017 1.732 1.00 0.00 N ATOM 531 CA PRO A 33 -4.389 -7.030 1.244 1.00 0.00 C ATOM 532 C PRO A 33 -4.029 -7.333 -0.212 1.00 0.00 C ATOM 533 O PRO A 33 -3.755 -8.462 -0.565 1.00 0.00 O ATOM 534 CB PRO A 33 -3.183 -7.241 2.163 1.00 0.00 C ATOM 535 CG PRO A 33 -3.313 -8.674 2.730 1.00 0.00 C ATOM 536 CD PRO A 33 -4.795 -9.070 2.592 1.00 0.00 C ATOM 0 HA PRO A 33 -4.754 -6.003 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.250 -7.124 1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.173 -6.505 2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.674 -9.367 2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.999 -8.708 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.903 -10.056 2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.289 -9.107 3.563 1.00 0.00 H new ATOM 544 N VAL A 34 -4.041 -6.344 -1.065 1.00 0.00 N ATOM 545 CA VAL A 34 -3.713 -6.614 -2.495 1.00 0.00 C ATOM 546 C VAL A 34 -2.999 -5.421 -3.149 1.00 0.00 C ATOM 547 O VAL A 34 -2.314 -5.581 -4.140 1.00 0.00 O ATOM 548 CB VAL A 34 -5.008 -6.902 -3.259 1.00 0.00 C ATOM 549 CG1 VAL A 34 -5.361 -8.385 -3.131 1.00 0.00 C ATOM 550 CG2 VAL A 34 -6.145 -6.057 -2.676 1.00 0.00 C ATOM 0 H VAL A 34 -4.260 -5.374 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.042 -7.472 -2.533 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.869 -6.651 -4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.283 -8.588 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.554 -8.988 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.498 -8.637 -2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.067 -6.262 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.281 -6.307 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.897 -5.000 -2.769 1.00 0.00 H new ATOM 560 N LYS A 35 -3.155 -4.229 -2.637 1.00 0.00 N ATOM 561 CA LYS A 35 -2.480 -3.067 -3.290 1.00 0.00 C ATOM 562 C LYS A 35 -1.567 -2.335 -2.302 1.00 0.00 C ATOM 563 O LYS A 35 -1.895 -1.273 -1.813 1.00 0.00 O ATOM 564 CB LYS A 35 -3.540 -2.097 -3.813 1.00 0.00 C ATOM 565 CG LYS A 35 -4.741 -2.888 -4.335 1.00 0.00 C ATOM 566 CD LYS A 35 -5.678 -1.951 -5.099 1.00 0.00 C ATOM 567 CE LYS A 35 -5.476 -2.141 -6.604 1.00 0.00 C ATOM 568 NZ LYS A 35 -6.478 -1.324 -7.346 1.00 0.00 N ATOM 0 H LYS A 35 -3.710 -4.010 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.870 -3.439 -4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.854 -1.421 -3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.123 -1.480 -4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.403 -3.693 -4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.272 -3.353 -3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.714 -2.158 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.479 -0.916 -4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.466 -1.843 -6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.583 -3.194 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.342 -1.452 -8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.437 -1.629 -7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.355 -0.320 -7.104 1.00 0.00 H new ATOM 582 N ARG A 36 -0.411 -2.878 -2.024 1.00 0.00 N ATOM 583 CA ARG A 36 0.529 -2.195 -1.088 1.00 0.00 C ATOM 584 C ARG A 36 1.652 -1.557 -1.909 1.00 0.00 C ATOM 585 O ARG A 36 2.401 -2.241 -2.579 1.00 0.00 O ATOM 586 CB ARG A 36 1.129 -3.216 -0.112 1.00 0.00 C ATOM 587 CG ARG A 36 0.181 -4.409 0.043 1.00 0.00 C ATOM 588 CD ARG A 36 0.265 -4.947 1.473 1.00 0.00 C ATOM 589 NE ARG A 36 0.517 -6.415 1.437 1.00 0.00 N ATOM 590 CZ ARG A 36 0.598 -7.092 2.550 1.00 0.00 C ATOM 591 NH1 ARG A 36 0.891 -6.480 3.665 1.00 0.00 N ATOM 592 NH2 ARG A 36 0.384 -8.380 2.548 1.00 0.00 N ATOM 0 H ARG A 36 -0.078 -3.764 -2.404 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.004 -1.434 -0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.098 -3.556 -0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.300 -2.748 0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.841 -4.106 -0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.446 -5.192 -0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.064 -4.443 2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.663 -4.739 2.006 1.00 0.00 H new ATOM 0 HE ARG A 36 0.626 -6.891 0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.056 -5.474 3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.954 -7.008 4.535 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.153 -8.857 1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.447 -8.909 3.418 1.00 0.00 H new ATOM 606 N GLY A 37 1.777 -0.255 -1.883 1.00 0.00 N ATOM 607 CA GLY A 37 2.856 0.389 -2.690 1.00 0.00 C ATOM 608 C GLY A 37 3.152 1.800 -2.171 1.00 0.00 C ATOM 609 O GLY A 37 3.143 2.053 -0.982 1.00 0.00 O ATOM 0 H GLY A 37 1.188 0.382 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.761 -0.217 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.555 0.437 -3.736 1.00 0.00 H new ATOM 613 N CYS A 38 3.429 2.718 -3.062 1.00 0.00 N ATOM 614 CA CYS A 38 3.743 4.111 -2.632 1.00 0.00 C ATOM 615 C CYS A 38 2.811 5.100 -3.337 1.00 0.00 C ATOM 616 O CYS A 38 2.373 4.876 -4.447 1.00 0.00 O ATOM 617 CB CYS A 38 5.189 4.439 -3.005 1.00 0.00 C ATOM 618 SG CYS A 38 6.175 4.630 -1.502 1.00 0.00 S ATOM 0 H CYS A 38 3.451 2.561 -4.070 1.00 0.00 H new ATOM 0 HA CYS A 38 3.606 4.191 -1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.604 3.645 -3.626 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.224 5.355 -3.594 1.00 0.00 H new ATOM 623 N ILE A 39 2.505 6.194 -2.694 1.00 0.00 N ATOM 624 CA ILE A 39 1.607 7.200 -3.308 1.00 0.00 C ATOM 625 C ILE A 39 1.801 8.547 -2.599 1.00 0.00 C ATOM 626 O ILE A 39 2.415 8.624 -1.547 1.00 0.00 O ATOM 627 CB ILE A 39 0.169 6.717 -3.143 1.00 0.00 C ATOM 628 CG1 ILE A 39 -0.779 7.613 -3.934 1.00 0.00 C ATOM 629 CG2 ILE A 39 -0.217 6.747 -1.663 1.00 0.00 C ATOM 630 CD1 ILE A 39 -2.186 7.040 -3.826 1.00 0.00 C ATOM 0 H ILE A 39 2.844 6.431 -1.762 1.00 0.00 H new ATOM 0 HA ILE A 39 1.833 7.327 -4.367 1.00 0.00 H new ATOM 0 HB ILE A 39 0.093 5.697 -3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.753 8.630 -3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.470 7.664 -4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.244 6.402 -1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.450 6.095 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.132 7.766 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.879 7.668 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.200 6.030 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.488 7.011 -2.779 1.00 0.00 H new ATOM 642 N ASP A 40 1.278 9.607 -3.160 1.00 0.00 N ATOM 643 CA ASP A 40 1.420 10.945 -2.516 1.00 0.00 C ATOM 644 C ASP A 40 0.096 11.301 -1.841 1.00 0.00 C ATOM 645 O ASP A 40 -0.173 12.444 -1.529 1.00 0.00 O ATOM 646 CB ASP A 40 1.750 12.001 -3.575 1.00 0.00 C ATOM 647 CG ASP A 40 2.977 11.562 -4.376 1.00 0.00 C ATOM 648 OD1 ASP A 40 4.079 11.780 -3.900 1.00 0.00 O ATOM 649 OD2 ASP A 40 2.794 11.018 -5.453 1.00 0.00 O ATOM 0 H ASP A 40 0.758 9.602 -4.038 1.00 0.00 H new ATOM 0 HA ASP A 40 2.225 10.917 -1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.899 12.140 -4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.940 12.962 -3.097 1.00 0.00 H new ATOM 654 N VAL A 41 -0.734 10.319 -1.622 1.00 0.00 N ATOM 655 CA VAL A 41 -2.048 10.569 -0.977 1.00 0.00 C ATOM 656 C VAL A 41 -2.818 9.246 -0.907 1.00 0.00 C ATOM 657 O VAL A 41 -2.416 8.261 -1.493 1.00 0.00 O ATOM 658 CB VAL A 41 -2.834 11.592 -1.800 1.00 0.00 C ATOM 659 CG1 VAL A 41 -3.186 10.996 -3.164 1.00 0.00 C ATOM 660 CG2 VAL A 41 -4.119 11.963 -1.058 1.00 0.00 C ATOM 0 H VAL A 41 -0.554 9.345 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.905 10.963 0.029 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.225 12.484 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.746 11.727 -3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.270 10.734 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.793 10.102 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.680 12.692 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.726 11.070 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.868 12.393 -0.088 1.00 0.00 H new ATOM 670 N CYS A 42 -3.909 9.203 -0.193 1.00 0.00 N ATOM 671 CA CYS A 42 -4.673 7.924 -0.094 1.00 0.00 C ATOM 672 C CYS A 42 -6.166 8.176 -0.325 1.00 0.00 C ATOM 673 O CYS A 42 -6.972 7.964 0.559 1.00 0.00 O ATOM 674 CB CYS A 42 -4.468 7.323 1.297 1.00 0.00 C ATOM 675 SG CYS A 42 -2.704 7.347 1.706 1.00 0.00 S ATOM 0 H CYS A 42 -4.303 9.990 0.323 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.311 7.233 -0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.032 7.890 2.037 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.845 6.301 1.323 1.00 0.00 H new ATOM 680 N PRO A 43 -6.490 8.615 -1.514 1.00 0.00 N ATOM 681 CA PRO A 43 -7.881 8.898 -1.908 1.00 0.00 C ATOM 682 C PRO A 43 -8.590 7.600 -2.312 1.00 0.00 C ATOM 683 O PRO A 43 -9.022 7.445 -3.437 1.00 0.00 O ATOM 684 CB PRO A 43 -7.724 9.822 -3.118 1.00 0.00 C ATOM 685 CG PRO A 43 -6.313 9.550 -3.695 1.00 0.00 C ATOM 686 CD PRO A 43 -5.497 8.879 -2.574 1.00 0.00 C ATOM 0 HA PRO A 43 -8.475 9.340 -1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.494 9.621 -3.863 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.829 10.867 -2.825 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.371 8.904 -4.571 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.840 10.479 -4.015 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.028 7.958 -2.919 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.698 9.530 -2.219 1.00 0.00 H new ATOM 694 N LYS A 44 -8.705 6.662 -1.411 1.00 0.00 N ATOM 695 CA LYS A 44 -9.377 5.378 -1.759 1.00 0.00 C ATOM 696 C LYS A 44 -10.331 4.971 -0.636 1.00 0.00 C ATOM 697 O LYS A 44 -10.687 5.767 0.210 1.00 0.00 O ATOM 698 CB LYS A 44 -8.319 4.290 -1.947 1.00 0.00 C ATOM 699 CG LYS A 44 -8.424 3.717 -3.362 1.00 0.00 C ATOM 700 CD LYS A 44 -8.220 4.838 -4.382 1.00 0.00 C ATOM 701 CE LYS A 44 -6.915 5.575 -4.077 1.00 0.00 C ATOM 702 NZ LYS A 44 -5.779 4.611 -4.113 1.00 0.00 N ATOM 0 H LYS A 44 -8.364 6.729 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.943 5.505 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.324 4.703 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.461 3.499 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.675 2.938 -3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.399 3.252 -3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.190 4.425 -5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.059 5.533 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.755 6.369 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.973 6.049 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.881 5.134 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.793 4.025 -3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.868 4.000 -4.950 1.00 0.00 H new ATOM 716 N SER A 45 -10.749 3.735 -0.624 1.00 0.00 N ATOM 717 CA SER A 45 -11.682 3.275 0.442 1.00 0.00 C ATOM 718 C SER A 45 -13.070 3.865 0.185 1.00 0.00 C ATOM 719 O SER A 45 -13.214 5.047 -0.057 1.00 0.00 O ATOM 720 CB SER A 45 -11.162 3.738 1.807 1.00 0.00 C ATOM 721 OG SER A 45 -12.064 4.685 2.367 1.00 0.00 O ATOM 0 H SER A 45 -10.485 3.024 -1.306 1.00 0.00 H new ATOM 0 HA SER A 45 -11.746 2.187 0.434 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.055 2.884 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.173 4.183 1.698 1.00 0.00 H new ATOM 0 HG SER A 45 -12.077 5.493 1.812 1.00 0.00 H new ATOM 727 N SER A 46 -14.094 3.057 0.233 1.00 0.00 N ATOM 728 CA SER A 46 -15.462 3.591 -0.012 1.00 0.00 C ATOM 729 C SER A 46 -16.471 2.438 -0.085 1.00 0.00 C ATOM 730 O SER A 46 -16.956 1.965 0.923 1.00 0.00 O ATOM 731 CB SER A 46 -15.469 4.373 -1.326 1.00 0.00 C ATOM 732 OG SER A 46 -14.756 3.640 -2.314 1.00 0.00 O ATOM 0 H SER A 46 -14.043 2.057 0.430 1.00 0.00 H new ATOM 0 HA SER A 46 -15.745 4.252 0.807 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.494 4.546 -1.654 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.011 5.352 -1.182 1.00 0.00 H new ATOM 0 HG SER A 46 -15.292 3.587 -3.133 1.00 0.00 H new ATOM 738 N LEU A 47 -16.797 1.986 -1.266 1.00 0.00 N ATOM 739 CA LEU A 47 -17.779 0.874 -1.394 1.00 0.00 C ATOM 740 C LEU A 47 -17.199 -0.399 -0.777 1.00 0.00 C ATOM 741 O LEU A 47 -17.857 -1.094 -0.029 1.00 0.00 O ATOM 742 CB LEU A 47 -18.079 0.632 -2.875 1.00 0.00 C ATOM 743 CG LEU A 47 -19.235 1.531 -3.317 1.00 0.00 C ATOM 744 CD1 LEU A 47 -18.984 2.018 -4.745 1.00 0.00 C ATOM 745 CD2 LEU A 47 -20.544 0.738 -3.271 1.00 0.00 C ATOM 0 H LEU A 47 -16.425 2.340 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 47 -18.698 1.140 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -17.193 0.840 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -18.336 -0.415 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 47 -19.306 2.388 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -19.807 2.659 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -18.052 2.582 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -18.914 1.161 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -21.368 1.378 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -20.474 -0.119 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -20.723 0.390 -2.254 1.00 0.00 H new ATOM 757 N LEU A 48 -15.973 -0.707 -1.088 1.00 0.00 N ATOM 758 CA LEU A 48 -15.342 -1.937 -0.528 1.00 0.00 C ATOM 759 C LEU A 48 -13.822 -1.805 -0.593 1.00 0.00 C ATOM 760 O LEU A 48 -13.199 -2.217 -1.550 1.00 0.00 O ATOM 761 CB LEU A 48 -15.770 -3.154 -1.353 1.00 0.00 C ATOM 762 CG LEU A 48 -17.225 -3.512 -1.047 1.00 0.00 C ATOM 763 CD1 LEU A 48 -17.607 -4.775 -1.819 1.00 0.00 C ATOM 764 CD2 LEU A 48 -17.387 -3.766 0.454 1.00 0.00 C ATOM 0 H LEU A 48 -15.377 -0.159 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.659 -2.063 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.656 -2.941 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.124 -4.002 -1.127 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.873 -2.688 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.644 -5.034 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.492 -4.597 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.958 -5.597 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.425 -4.021 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.741 -4.590 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.111 -2.868 1.007 1.00 0.00 H new ATOM 776 N VAL A 49 -13.216 -1.244 0.417 1.00 0.00 N ATOM 777 CA VAL A 49 -11.735 -1.105 0.396 1.00 0.00 C ATOM 778 C VAL A 49 -11.274 -0.216 1.554 1.00 0.00 C ATOM 779 O VAL A 49 -11.923 0.742 1.924 1.00 0.00 O ATOM 780 CB VAL A 49 -11.300 -0.488 -0.939 1.00 0.00 C ATOM 781 CG1 VAL A 49 -12.221 0.682 -1.287 1.00 0.00 C ATOM 782 CG2 VAL A 49 -9.856 0.013 -0.831 1.00 0.00 C ATOM 0 H VAL A 49 -13.679 -0.879 1.249 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.280 -2.089 0.507 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.362 -1.244 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -11.911 1.120 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.247 0.325 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.162 1.437 -0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.551 0.451 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.790 0.767 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.198 -0.822 -0.588 1.00 0.00 H new ATOM 792 N LYS A 50 -10.141 -0.532 2.112 1.00 0.00 N ATOM 793 CA LYS A 50 -9.588 0.273 3.234 1.00 0.00 C ATOM 794 C LYS A 50 -8.077 0.377 3.034 1.00 0.00 C ATOM 795 O LYS A 50 -7.394 -0.618 2.882 1.00 0.00 O ATOM 796 CB LYS A 50 -9.890 -0.415 4.567 1.00 0.00 C ATOM 797 CG LYS A 50 -11.326 -0.099 4.989 1.00 0.00 C ATOM 798 CD LYS A 50 -11.448 -0.222 6.509 1.00 0.00 C ATOM 799 CE LYS A 50 -12.450 -1.325 6.855 1.00 0.00 C ATOM 800 NZ LYS A 50 -13.098 -1.015 8.161 1.00 0.00 N ATOM 0 H LYS A 50 -9.566 -1.327 1.834 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.039 1.265 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.756 -1.493 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.191 -0.074 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.597 0.908 4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.019 -0.784 4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.475 -0.450 6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.774 0.727 6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.204 -1.404 6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.943 -2.288 6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.779 -1.764 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.373 -0.960 8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.595 -0.104 8.094 1.00 0.00 H new ATOM 814 N TYR A 51 -7.549 1.567 3.002 1.00 0.00 N ATOM 815 CA TYR A 51 -6.086 1.716 2.777 1.00 0.00 C ATOM 816 C TYR A 51 -5.395 2.257 4.028 1.00 0.00 C ATOM 817 O TYR A 51 -5.935 3.068 4.754 1.00 0.00 O ATOM 818 CB TYR A 51 -5.853 2.688 1.619 1.00 0.00 C ATOM 819 CG TYR A 51 -6.365 4.057 2.000 1.00 0.00 C ATOM 820 CD1 TYR A 51 -5.657 4.839 2.921 1.00 0.00 C ATOM 821 CD2 TYR A 51 -7.547 4.544 1.431 1.00 0.00 C ATOM 822 CE1 TYR A 51 -6.132 6.108 3.274 1.00 0.00 C ATOM 823 CE2 TYR A 51 -8.022 5.813 1.784 1.00 0.00 C ATOM 824 CZ TYR A 51 -7.315 6.595 2.705 1.00 0.00 C ATOM 825 OH TYR A 51 -7.785 7.846 3.053 1.00 0.00 O ATOM 0 H TYR A 51 -8.064 2.439 3.121 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.669 0.737 2.543 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.791 2.739 1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.364 2.333 0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.744 4.463 3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.093 3.941 0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.586 6.711 3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.935 6.189 1.345 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.681 8.457 2.294 1.00 0.00 H new ATOM 835 N VAL A 52 -4.189 1.824 4.265 1.00 0.00 N ATOM 836 CA VAL A 52 -3.426 2.319 5.444 1.00 0.00 C ATOM 837 C VAL A 52 -2.079 2.849 4.952 1.00 0.00 C ATOM 838 O VAL A 52 -1.213 2.097 4.557 1.00 0.00 O ATOM 839 CB VAL A 52 -3.202 1.179 6.436 1.00 0.00 C ATOM 840 CG1 VAL A 52 -2.255 1.648 7.542 1.00 0.00 C ATOM 841 CG2 VAL A 52 -4.542 0.772 7.052 1.00 0.00 C ATOM 0 H VAL A 52 -3.695 1.143 3.688 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.983 3.110 5.946 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.764 0.325 5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.094 0.836 8.251 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.301 1.942 7.104 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.694 2.500 8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.385 -0.041 7.760 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.978 1.626 7.571 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.219 0.441 6.264 1.00 0.00 H new ATOM 851 N CYS A 53 -1.893 4.137 4.961 1.00 0.00 N ATOM 852 CA CYS A 53 -0.598 4.700 4.472 1.00 0.00 C ATOM 853 C CYS A 53 0.300 5.022 5.666 1.00 0.00 C ATOM 854 O CYS A 53 -0.144 5.084 6.795 1.00 0.00 O ATOM 855 CB CYS A 53 -0.819 5.991 3.653 1.00 0.00 C ATOM 856 SG CYS A 53 -2.585 6.377 3.474 1.00 0.00 S ATOM 0 H CYS A 53 -2.575 4.824 5.283 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.129 3.955 3.829 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.312 6.823 4.141 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.369 5.878 2.667 1.00 0.00 H new ATOM 861 N CYS A 54 1.565 5.225 5.421 1.00 0.00 N ATOM 862 CA CYS A 54 2.503 5.543 6.532 1.00 0.00 C ATOM 863 C CYS A 54 3.749 6.221 5.959 1.00 0.00 C ATOM 864 O CYS A 54 4.234 5.863 4.903 1.00 0.00 O ATOM 865 CB CYS A 54 2.899 4.246 7.247 1.00 0.00 C ATOM 866 SG CYS A 54 4.316 4.546 8.334 1.00 0.00 S ATOM 0 H CYS A 54 1.990 5.184 4.495 1.00 0.00 H new ATOM 0 HA CYS A 54 2.022 6.214 7.244 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.057 3.870 7.829 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.148 3.479 6.514 1.00 0.00 H new ATOM 871 N ASN A 55 4.272 7.198 6.647 1.00 0.00 N ATOM 872 CA ASN A 55 5.486 7.899 6.143 1.00 0.00 C ATOM 873 C ASN A 55 6.590 7.825 7.200 1.00 0.00 C ATOM 874 O ASN A 55 7.185 8.821 7.560 1.00 0.00 O ATOM 875 CB ASN A 55 5.148 9.364 5.858 1.00 0.00 C ATOM 876 CG ASN A 55 6.331 10.032 5.156 1.00 0.00 C ATOM 877 OD1 ASN A 55 6.710 9.638 4.071 1.00 0.00 O ATOM 878 ND2 ASN A 55 6.936 11.033 5.734 1.00 0.00 N ATOM 0 H ASN A 55 3.911 7.541 7.537 1.00 0.00 H new ATOM 0 HA ASN A 55 5.828 7.421 5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.257 9.428 5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.923 9.884 6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.727 11.485 5.275 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.618 11.364 6.645 1.00 0.00 H new ATOM 885 N THR A 56 6.867 6.652 7.699 1.00 0.00 N ATOM 886 CA THR A 56 7.932 6.515 8.730 1.00 0.00 C ATOM 887 C THR A 56 9.058 5.638 8.182 1.00 0.00 C ATOM 888 O THR A 56 10.140 5.586 8.732 1.00 0.00 O ATOM 889 CB THR A 56 7.349 5.866 9.987 1.00 0.00 C ATOM 890 OG1 THR A 56 6.020 6.329 10.183 1.00 0.00 O ATOM 891 CG2 THR A 56 8.206 6.238 11.198 1.00 0.00 C ATOM 0 H THR A 56 6.402 5.783 7.437 1.00 0.00 H new ATOM 0 HA THR A 56 8.324 7.501 8.980 1.00 0.00 H new ATOM 0 HB THR A 56 7.342 4.782 9.869 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.415 5.853 9.576 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.791 5.776 12.093 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.225 5.883 11.045 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.214 7.321 11.319 1.00 0.00 H new ATOM 899 N ASP A 57 8.811 4.947 7.102 1.00 0.00 N ATOM 900 CA ASP A 57 9.864 4.071 6.517 1.00 0.00 C ATOM 901 C ASP A 57 9.958 2.783 7.334 1.00 0.00 C ATOM 902 O ASP A 57 9.988 2.806 8.548 1.00 0.00 O ATOM 903 CB ASP A 57 11.211 4.795 6.544 1.00 0.00 C ATOM 904 CG ASP A 57 12.075 4.308 5.379 1.00 0.00 C ATOM 905 OD1 ASP A 57 11.883 4.799 4.279 1.00 0.00 O ATOM 906 OD2 ASP A 57 12.912 3.451 5.606 1.00 0.00 O ATOM 0 H ASP A 57 7.923 4.952 6.599 1.00 0.00 H new ATOM 0 HA ASP A 57 9.607 3.832 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.059 5.872 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.718 4.607 7.490 1.00 0.00 H new ATOM 911 N ARG A 58 9.999 1.657 6.677 1.00 0.00 N ATOM 912 CA ARG A 58 10.085 0.366 7.414 1.00 0.00 C ATOM 913 C ARG A 58 8.803 0.159 8.221 1.00 0.00 C ATOM 914 O ARG A 58 8.712 -0.734 9.040 1.00 0.00 O ATOM 915 CB ARG A 58 11.287 0.391 8.360 1.00 0.00 C ATOM 916 CG ARG A 58 11.812 -1.034 8.555 1.00 0.00 C ATOM 917 CD ARG A 58 12.558 -1.483 7.297 1.00 0.00 C ATOM 918 NE ARG A 58 12.383 -2.951 7.111 1.00 0.00 N ATOM 919 CZ ARG A 58 13.107 -3.788 7.804 1.00 0.00 C ATOM 920 NH1 ARG A 58 12.813 -4.026 9.053 1.00 0.00 N ATOM 921 NH2 ARG A 58 14.123 -4.390 7.247 1.00 0.00 N ATOM 0 H ARG A 58 9.977 1.576 5.661 1.00 0.00 H new ATOM 0 HA ARG A 58 10.206 -0.451 6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.072 1.027 7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.999 0.819 9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.477 -1.072 9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.984 -1.712 8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.179 -0.948 6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.617 -1.241 7.384 1.00 0.00 H new ATOM 0 HE ARG A 58 11.698 -3.302 6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.018 -3.558 9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.379 -4.680 9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.352 -4.207 6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.688 -5.044 7.789 1.00 0.00 H new ATOM 935 N CYS A 59 7.809 0.973 7.993 1.00 0.00 N ATOM 936 CA CYS A 59 6.533 0.815 8.743 1.00 0.00 C ATOM 937 C CYS A 59 5.498 0.140 7.840 1.00 0.00 C ATOM 938 O CYS A 59 4.395 -0.154 8.256 1.00 0.00 O ATOM 939 CB CYS A 59 6.015 2.189 9.178 1.00 0.00 C ATOM 940 SG CYS A 59 5.702 3.211 7.718 1.00 0.00 S ATOM 0 H CYS A 59 7.826 1.740 7.320 1.00 0.00 H new ATOM 0 HA CYS A 59 6.705 0.201 9.627 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.099 2.076 9.758 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.745 2.676 9.825 1.00 0.00 H new ATOM 945 N ASN A 60 5.847 -0.112 6.606 1.00 0.00 N ATOM 946 CA ASN A 60 4.884 -0.771 5.679 1.00 0.00 C ATOM 947 C ASN A 60 5.207 -2.264 5.587 1.00 0.00 C ATOM 948 O ASN A 60 6.369 -2.589 5.403 1.00 0.00 O ATOM 949 CB ASN A 60 4.997 -0.139 4.289 1.00 0.00 C ATOM 950 CG ASN A 60 4.146 -0.933 3.297 1.00 0.00 C ATOM 951 OD1 ASN A 60 4.282 -2.135 3.188 1.00 0.00 O ATOM 952 ND2 ASN A 60 3.266 -0.307 2.564 1.00 0.00 N ATOM 953 OXT ASN A 60 4.288 -3.058 5.703 1.00 0.00 O ATOM 0 H ASN A 60 6.757 0.110 6.201 1.00 0.00 H new ATOM 0 HA ASN A 60 3.870 -0.640 6.056 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.664 0.898 4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.038 -0.130 3.966 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.693 -0.827 1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.152 0.702 2.655 1.00 0.00 H new