USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 494 hydrogens (2 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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 LYS N :NH3+ -162:sc= 1.48 (180deg=1.15) USER MOD Single : A 1 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00128) USER MOD Single : A 4 TYR OH : rot 90:sc= 0.581 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 1.13 (180deg=1.12) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 1.73 (180deg=1.44) USER MOD Single : A 22 ASN : amide:sc= 0.777 K(o=0.78,f=-7.5!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= 0.105 (180deg=0.0318) USER MOD Single : A 31 GLN : amide:sc= 0.425 X(o=0.43,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 33 TYR OH : rot 180:sc= 0.228 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 86:sc= 1.34 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -22:sc= 0.938 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.2 K(o=-1.2,f=-1.7) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0676) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.517 K(o=0.52,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 25.252 33.455 37.615 1.00 0.00 N ATOM 2 CA LYS A 1 26.372 32.491 37.639 1.00 0.00 C ATOM 3 C LYS A 1 26.659 31.984 36.228 1.00 0.00 C ATOM 4 O LYS A 1 25.740 31.650 35.482 1.00 0.00 O ATOM 5 CB LYS A 1 26.128 31.362 38.660 1.00 0.00 C ATOM 6 CG LYS A 1 27.156 30.218 38.576 1.00 0.00 C ATOM 7 CD LYS A 1 27.399 29.481 39.900 1.00 0.00 C ATOM 8 CE LYS A 1 28.035 30.341 41.005 1.00 0.00 C ATOM 9 NZ LYS A 1 29.385 30.855 40.661 1.00 0.00 N ATOM 0 H1 LYS A 1 25.257 34.015 38.491 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.357 34.089 36.798 1.00 0.00 H new ATOM 0 H3 LYS A 1 24.352 32.940 37.539 1.00 0.00 H new ATOM 0 HA LYS A 1 27.272 33.001 37.983 1.00 0.00 H new ATOM 0 HB2 LYS A 1 26.147 31.783 39.665 1.00 0.00 H new ATOM 0 HB3 LYS A 1 25.129 30.953 38.505 1.00 0.00 H new ATOM 0 HG2 LYS A 1 26.819 29.498 37.831 1.00 0.00 H new ATOM 0 HG3 LYS A 1 28.104 30.624 38.221 1.00 0.00 H new ATOM 0 HD2 LYS A 1 26.448 29.091 40.263 1.00 0.00 H new ATOM 0 HD3 LYS A 1 28.043 28.623 39.710 1.00 0.00 H new ATOM 0 HE2 LYS A 1 27.379 31.185 41.219 1.00 0.00 H new ATOM 0 HE3 LYS A 1 28.103 29.750 41.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 29.758 31.411 41.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 30.022 30.056 40.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 29.322 31.459 39.817 1.00 0.00 H new ATOM 25 N GLU A 2 27.944 31.941 35.871 1.00 0.00 N ATOM 26 CA GLU A 2 28.472 31.590 34.547 1.00 0.00 C ATOM 27 C GLU A 2 29.689 30.651 34.669 1.00 0.00 C ATOM 28 O GLU A 2 30.420 30.725 35.660 1.00 0.00 O ATOM 29 CB GLU A 2 28.907 32.853 33.770 1.00 0.00 C ATOM 30 CG GLU A 2 27.902 34.015 33.706 1.00 0.00 C ATOM 31 CD GLU A 2 27.924 34.893 34.966 1.00 0.00 C ATOM 32 OE1 GLU A 2 28.952 35.566 35.235 1.00 0.00 O ATOM 33 OE2 GLU A 2 26.900 34.921 35.691 1.00 0.00 O ATOM 0 H GLU A 2 28.687 32.162 36.534 1.00 0.00 H new ATOM 0 HA GLU A 2 27.670 31.085 34.008 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.828 33.226 34.219 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.147 32.556 32.749 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.123 34.632 32.835 1.00 0.00 H new ATOM 0 HG3 GLU A 2 26.898 33.614 33.566 1.00 0.00 H new ATOM 40 N GLY A 3 29.936 29.804 33.662 1.00 0.00 N ATOM 41 CA GLY A 3 31.130 28.948 33.582 1.00 0.00 C ATOM 42 C GLY A 3 30.987 27.774 32.603 1.00 0.00 C ATOM 43 O GLY A 3 29.912 27.545 32.048 1.00 0.00 O ATOM 0 H GLY A 3 29.305 29.691 32.869 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.983 29.557 33.282 1.00 0.00 H new ATOM 0 HA3 GLY A 3 31.352 28.556 34.575 1.00 0.00 H new ATOM 47 N TYR A 4 32.056 26.993 32.407 1.00 0.00 N ATOM 48 CA TYR A 4 32.035 25.794 31.569 1.00 0.00 C ATOM 49 C TYR A 4 31.058 24.728 32.078 1.00 0.00 C ATOM 50 O TYR A 4 30.934 24.499 33.285 1.00 0.00 O ATOM 51 CB TYR A 4 33.444 25.203 31.463 1.00 0.00 C ATOM 52 CG TYR A 4 34.320 25.896 30.440 1.00 0.00 C ATOM 53 CD1 TYR A 4 34.020 25.776 29.069 1.00 0.00 C ATOM 54 CD2 TYR A 4 35.434 26.647 30.852 1.00 0.00 C ATOM 55 CE1 TYR A 4 34.809 26.438 28.112 1.00 0.00 C ATOM 56 CE2 TYR A 4 36.232 27.302 29.896 1.00 0.00 C ATOM 57 CZ TYR A 4 35.915 27.209 28.525 1.00 0.00 C ATOM 58 OH TYR A 4 36.668 27.857 27.601 1.00 0.00 O ATOM 0 H TYR A 4 32.965 27.179 32.830 1.00 0.00 H new ATOM 0 HA TYR A 4 31.685 26.102 30.584 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.926 25.259 32.439 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.367 24.147 31.206 1.00 0.00 H new ATOM 0 HD1 TYR A 4 33.181 25.174 28.752 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.677 26.721 31.902 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.568 26.356 27.062 1.00 0.00 H new ATOM 0 HE2 TYR A 4 37.089 27.877 30.213 1.00 0.00 H new ATOM 0 HH TYR A 4 36.304 28.755 27.453 1.00 0.00 H new ATOM 68 N LEU A 5 30.409 24.040 31.132 1.00 0.00 N ATOM 69 CA LEU A 5 29.515 22.919 31.406 1.00 0.00 C ATOM 70 C LEU A 5 30.310 21.694 31.892 1.00 0.00 C ATOM 71 O LEU A 5 31.171 21.166 31.183 1.00 0.00 O ATOM 72 CB LEU A 5 28.674 22.653 30.143 1.00 0.00 C ATOM 73 CG LEU A 5 27.701 21.463 30.236 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.737 21.548 31.423 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.864 21.403 28.960 1.00 0.00 C ATOM 0 H LEU A 5 30.495 24.254 30.138 1.00 0.00 H new ATOM 0 HA LEU A 5 28.829 23.155 32.220 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.101 23.551 29.912 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.351 22.483 29.306 1.00 0.00 H new ATOM 0 HG LEU A 5 28.316 20.574 30.372 1.00 0.00 H new ATOM 0 HD11 LEU A 5 26.083 20.676 31.423 1.00 0.00 H new ATOM 0 HD12 LEU A 5 27.306 21.575 32.352 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.135 22.453 31.339 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.172 20.563 29.018 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.301 22.330 28.850 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.521 21.274 28.100 1.00 0.00 H new ATOM 87 N VAL A 6 29.995 21.250 33.111 1.00 0.00 N ATOM 88 CA VAL A 6 30.647 20.160 33.855 1.00 0.00 C ATOM 89 C VAL A 6 29.594 19.285 34.548 1.00 0.00 C ATOM 90 O VAL A 6 28.527 19.787 34.915 1.00 0.00 O ATOM 91 CB VAL A 6 31.679 20.746 34.850 1.00 0.00 C ATOM 92 CG1 VAL A 6 31.049 21.662 35.904 1.00 0.00 C ATOM 93 CG2 VAL A 6 32.498 19.680 35.585 1.00 0.00 C ATOM 0 H VAL A 6 29.230 21.666 33.642 1.00 0.00 H new ATOM 0 HA VAL A 6 31.190 19.516 33.164 1.00 0.00 H new ATOM 0 HB VAL A 6 32.342 21.327 34.209 1.00 0.00 H new ATOM 0 HG11 VAL A 6 31.826 22.039 36.569 1.00 0.00 H new ATOM 0 HG12 VAL A 6 30.556 22.500 35.410 1.00 0.00 H new ATOM 0 HG13 VAL A 6 30.316 21.100 36.483 1.00 0.00 H new ATOM 0 HG21 VAL A 6 33.199 20.164 36.264 1.00 0.00 H new ATOM 0 HG22 VAL A 6 31.828 19.035 36.154 1.00 0.00 H new ATOM 0 HG23 VAL A 6 33.050 19.081 34.860 1.00 0.00 H new ATOM 103 N SER A 7 29.864 17.988 34.725 1.00 0.00 N ATOM 104 CA SER A 7 28.973 17.058 35.437 1.00 0.00 C ATOM 105 C SER A 7 29.749 16.029 36.266 1.00 0.00 C ATOM 106 O SER A 7 30.781 15.512 35.829 1.00 0.00 O ATOM 107 CB SER A 7 28.038 16.370 34.444 1.00 0.00 C ATOM 108 OG SER A 7 26.893 15.841 35.089 1.00 0.00 O ATOM 0 H SER A 7 30.715 17.547 34.376 1.00 0.00 H new ATOM 0 HA SER A 7 28.379 17.640 36.142 1.00 0.00 H new ATOM 0 HB2 SER A 7 27.729 17.083 33.680 1.00 0.00 H new ATOM 0 HB3 SER A 7 28.573 15.568 33.935 1.00 0.00 H new ATOM 0 HG SER A 7 26.314 15.409 34.426 1.00 0.00 H new ATOM 114 N LYS A 8 29.243 15.729 37.468 1.00 0.00 N ATOM 115 CA LYS A 8 29.979 15.150 38.609 1.00 0.00 C ATOM 116 C LYS A 8 30.757 13.849 38.387 1.00 0.00 C ATOM 117 O LYS A 8 31.680 13.584 39.160 1.00 0.00 O ATOM 118 CB LYS A 8 29.000 14.991 39.786 1.00 0.00 C ATOM 119 CG LYS A 8 27.865 13.991 39.502 1.00 0.00 C ATOM 120 CD LYS A 8 26.893 13.907 40.683 1.00 0.00 C ATOM 121 CE LYS A 8 25.810 12.852 40.424 1.00 0.00 C ATOM 122 NZ LYS A 8 24.765 13.347 39.498 1.00 0.00 N ATOM 0 H LYS A 8 28.260 15.890 37.687 1.00 0.00 H new ATOM 0 HA LYS A 8 30.779 15.865 38.804 1.00 0.00 H new ATOM 0 HB2 LYS A 8 29.552 14.663 40.667 1.00 0.00 H new ATOM 0 HB3 LYS A 8 28.568 15.963 40.024 1.00 0.00 H new ATOM 0 HG2 LYS A 8 27.326 14.294 38.605 1.00 0.00 H new ATOM 0 HG3 LYS A 8 28.286 13.005 39.303 1.00 0.00 H new ATOM 0 HD2 LYS A 8 27.440 13.658 41.592 1.00 0.00 H new ATOM 0 HD3 LYS A 8 26.428 14.879 40.847 1.00 0.00 H new ATOM 0 HE2 LYS A 8 26.269 11.956 40.007 1.00 0.00 H new ATOM 0 HE3 LYS A 8 25.350 12.564 41.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.053 12.604 39.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 24.309 14.187 39.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 25.199 13.597 38.587 1.00 0.00 H new ATOM 136 N SER A 9 30.427 13.041 37.379 1.00 0.00 N ATOM 137 CA SER A 9 31.104 11.758 37.093 1.00 0.00 C ATOM 138 C SER A 9 31.670 11.659 35.665 1.00 0.00 C ATOM 139 O SER A 9 32.201 10.615 35.280 1.00 0.00 O ATOM 140 CB SER A 9 30.170 10.584 37.422 1.00 0.00 C ATOM 141 OG SER A 9 29.808 10.616 38.796 1.00 0.00 O ATOM 0 H SER A 9 29.674 13.254 36.725 1.00 0.00 H new ATOM 0 HA SER A 9 31.977 11.709 37.743 1.00 0.00 H new ATOM 0 HB2 SER A 9 29.276 10.636 36.801 1.00 0.00 H new ATOM 0 HB3 SER A 9 30.664 9.640 37.190 1.00 0.00 H new ATOM 0 HG SER A 9 29.211 9.864 38.995 1.00 0.00 H new ATOM 147 N THR A 10 31.590 12.740 34.879 1.00 0.00 N ATOM 148 CA THR A 10 32.034 12.815 33.467 1.00 0.00 C ATOM 149 C THR A 10 32.842 14.077 33.132 1.00 0.00 C ATOM 150 O THR A 10 33.303 14.242 31.997 1.00 0.00 O ATOM 151 CB THR A 10 30.837 12.687 32.508 1.00 0.00 C ATOM 152 OG1 THR A 10 29.771 13.523 32.921 1.00 0.00 O ATOM 153 CG2 THR A 10 30.305 11.256 32.464 1.00 0.00 C ATOM 0 H THR A 10 31.202 13.622 35.214 1.00 0.00 H new ATOM 0 HA THR A 10 32.710 11.971 33.330 1.00 0.00 H new ATOM 0 HB THR A 10 31.197 12.980 31.522 1.00 0.00 H new ATOM 0 HG1 THR A 10 29.021 13.428 32.298 1.00 0.00 H new ATOM 0 HG21 THR A 10 29.460 11.203 31.777 1.00 0.00 H new ATOM 0 HG22 THR A 10 31.093 10.585 32.123 1.00 0.00 H new ATOM 0 HG23 THR A 10 29.981 10.957 33.461 1.00 0.00 H new ATOM 161 N GLY A 11 33.044 14.975 34.099 1.00 0.00 N ATOM 162 CA GLY A 11 33.883 16.164 33.959 1.00 0.00 C ATOM 163 C GLY A 11 33.313 17.192 32.979 1.00 0.00 C ATOM 164 O GLY A 11 32.094 17.313 32.824 1.00 0.00 O ATOM 0 H GLY A 11 32.618 14.892 35.022 1.00 0.00 H new ATOM 0 HA2 GLY A 11 34.005 16.632 34.936 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.875 15.863 33.623 1.00 0.00 H new ATOM 168 N CYS A 12 34.196 17.963 32.347 1.00 0.00 N ATOM 169 CA CYS A 12 33.849 19.098 31.490 1.00 0.00 C ATOM 170 C CYS A 12 33.541 18.677 30.039 1.00 0.00 C ATOM 171 O CYS A 12 34.024 17.643 29.563 1.00 0.00 O ATOM 172 CB CYS A 12 34.954 20.157 31.597 1.00 0.00 C ATOM 173 SG CYS A 12 35.203 20.760 33.289 1.00 0.00 S ATOM 0 H CYS A 12 35.202 17.812 32.418 1.00 0.00 H new ATOM 0 HA CYS A 12 32.916 19.539 31.842 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.889 19.736 31.227 1.00 0.00 H new ATOM 0 HB3 CYS A 12 34.705 20.999 30.951 1.00 0.00 H new ATOM 178 N LYS A 13 32.712 19.460 29.331 1.00 0.00 N ATOM 179 CA LYS A 13 32.206 19.122 27.984 1.00 0.00 C ATOM 180 C LYS A 13 33.320 18.973 26.936 1.00 0.00 C ATOM 181 O LYS A 13 34.373 19.613 27.005 1.00 0.00 O ATOM 182 CB LYS A 13 31.166 20.166 27.520 1.00 0.00 C ATOM 183 CG LYS A 13 30.128 19.679 26.490 1.00 0.00 C ATOM 184 CD LYS A 13 29.111 18.681 27.055 1.00 0.00 C ATOM 185 CE LYS A 13 28.420 17.928 25.914 1.00 0.00 C ATOM 186 NZ LYS A 13 27.629 16.786 26.420 1.00 0.00 N ATOM 0 H LYS A 13 32.368 20.356 29.678 1.00 0.00 H new ATOM 0 HA LYS A 13 31.729 18.145 28.070 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.633 20.532 28.397 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.700 21.016 27.094 1.00 0.00 H new ATOM 0 HG2 LYS A 13 29.593 20.542 26.093 1.00 0.00 H new ATOM 0 HG3 LYS A 13 30.651 19.215 25.654 1.00 0.00 H new ATOM 0 HD2 LYS A 13 29.613 17.974 27.716 1.00 0.00 H new ATOM 0 HD3 LYS A 13 28.369 19.207 27.655 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.768 18.610 25.369 1.00 0.00 H new ATOM 0 HE3 LYS A 13 29.168 17.569 25.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 27.188 16.288 25.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 28.253 16.132 26.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 26.888 17.134 27.062 1.00 0.00 H new ATOM 200 N TYR A 14 33.022 18.178 25.920 1.00 0.00 N ATOM 201 CA TYR A 14 33.841 17.974 24.718 1.00 0.00 C ATOM 202 C TYR A 14 33.563 19.095 23.693 1.00 0.00 C ATOM 203 O TYR A 14 32.725 19.960 23.947 1.00 0.00 O ATOM 204 CB TYR A 14 33.579 16.560 24.167 1.00 0.00 C ATOM 205 CG TYR A 14 33.728 15.442 25.195 1.00 0.00 C ATOM 206 CD1 TYR A 14 34.992 15.141 25.746 1.00 0.00 C ATOM 207 CD2 TYR A 14 32.596 14.715 25.617 1.00 0.00 C ATOM 208 CE1 TYR A 14 35.123 14.120 26.712 1.00 0.00 C ATOM 209 CE2 TYR A 14 32.725 13.697 26.584 1.00 0.00 C ATOM 210 CZ TYR A 14 33.987 13.394 27.135 1.00 0.00 C ATOM 211 OH TYR A 14 34.096 12.404 28.066 1.00 0.00 O ATOM 0 H TYR A 14 32.163 17.628 25.903 1.00 0.00 H new ATOM 0 HA TYR A 14 34.903 18.036 24.956 1.00 0.00 H new ATOM 0 HB2 TYR A 14 32.570 16.526 23.755 1.00 0.00 H new ATOM 0 HB3 TYR A 14 34.267 16.372 23.342 1.00 0.00 H new ATOM 0 HD1 TYR A 14 35.863 15.694 25.427 1.00 0.00 H new ATOM 0 HD2 TYR A 14 31.626 14.939 25.198 1.00 0.00 H new ATOM 0 HE1 TYR A 14 36.093 13.893 27.129 1.00 0.00 H new ATOM 0 HE2 TYR A 14 31.853 13.147 26.904 1.00 0.00 H new ATOM 0 HH TYR A 14 33.212 12.015 28.235 1.00 0.00 H new ATOM 221 N GLU A 15 34.265 19.131 22.558 1.00 0.00 N ATOM 222 CA GLU A 15 34.227 20.282 21.634 1.00 0.00 C ATOM 223 C GLU A 15 32.839 20.629 21.051 1.00 0.00 C ATOM 224 O GLU A 15 31.959 19.768 20.912 1.00 0.00 O ATOM 225 CB GLU A 15 35.268 20.108 20.517 1.00 0.00 C ATOM 226 CG GLU A 15 34.922 19.004 19.508 1.00 0.00 C ATOM 227 CD GLU A 15 35.989 18.937 18.417 1.00 0.00 C ATOM 228 OE1 GLU A 15 35.852 19.663 17.402 1.00 0.00 O ATOM 229 OE2 GLU A 15 36.980 18.181 18.575 1.00 0.00 O ATOM 0 H GLU A 15 34.873 18.373 22.249 1.00 0.00 H new ATOM 0 HA GLU A 15 34.479 21.144 22.251 1.00 0.00 H new ATOM 0 HB2 GLU A 15 35.375 21.053 19.984 1.00 0.00 H new ATOM 0 HB3 GLU A 15 36.235 19.884 20.967 1.00 0.00 H new ATOM 0 HG2 GLU A 15 34.852 18.043 20.018 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.947 19.200 19.062 1.00 0.00 H new ATOM 236 N CYS A 16 32.655 21.905 20.692 1.00 0.00 N ATOM 237 CA CYS A 16 31.380 22.461 20.230 1.00 0.00 C ATOM 238 C CYS A 16 31.205 22.438 18.694 1.00 0.00 C ATOM 239 O CYS A 16 32.176 22.582 17.943 1.00 0.00 O ATOM 240 CB CYS A 16 31.204 23.866 20.837 1.00 0.00 C ATOM 241 SG CYS A 16 32.166 25.211 20.082 1.00 0.00 S ATOM 0 H CYS A 16 33.406 22.594 20.716 1.00 0.00 H new ATOM 0 HA CYS A 16 30.578 21.814 20.585 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.148 24.131 20.781 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.464 23.814 21.894 1.00 0.00 H new ATOM 246 N LEU A 17 29.954 22.310 18.222 1.00 0.00 N ATOM 247 CA LEU A 17 29.580 22.275 16.792 1.00 0.00 C ATOM 248 C LEU A 17 29.348 23.658 16.152 1.00 0.00 C ATOM 249 O LEU A 17 29.179 23.766 14.934 1.00 0.00 O ATOM 250 CB LEU A 17 28.397 21.303 16.566 1.00 0.00 C ATOM 251 CG LEU A 17 27.039 21.608 17.244 1.00 0.00 C ATOM 252 CD1 LEU A 17 26.343 22.879 16.751 1.00 0.00 C ATOM 253 CD2 LEU A 17 26.082 20.443 16.988 1.00 0.00 C ATOM 0 H LEU A 17 29.148 22.225 18.841 1.00 0.00 H new ATOM 0 HA LEU A 17 30.449 21.890 16.259 1.00 0.00 H new ATOM 0 HB2 LEU A 17 28.222 21.240 15.492 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.715 20.314 16.896 1.00 0.00 H new ATOM 0 HG LEU A 17 27.270 21.754 18.299 1.00 0.00 H new ATOM 0 HD11 LEU A 17 25.401 23.008 17.284 1.00 0.00 H new ATOM 0 HD12 LEU A 17 26.985 23.740 16.936 1.00 0.00 H new ATOM 0 HD13 LEU A 17 26.147 22.795 15.682 1.00 0.00 H new ATOM 0 HD21 LEU A 17 25.123 20.649 17.462 1.00 0.00 H new ATOM 0 HD22 LEU A 17 25.937 20.320 15.915 1.00 0.00 H new ATOM 0 HD23 LEU A 17 26.503 19.528 17.404 1.00 0.00 H new ATOM 265 N LYS A 18 29.337 24.721 16.964 1.00 0.00 N ATOM 266 CA LYS A 18 29.238 26.118 16.523 1.00 0.00 C ATOM 267 C LYS A 18 29.907 27.045 17.538 1.00 0.00 C ATOM 268 O LYS A 18 29.656 26.916 18.738 1.00 0.00 O ATOM 269 CB LYS A 18 27.761 26.513 16.329 1.00 0.00 C ATOM 270 CG LYS A 18 27.659 27.837 15.560 1.00 0.00 C ATOM 271 CD LYS A 18 26.228 28.379 15.503 1.00 0.00 C ATOM 272 CE LYS A 18 26.219 29.837 15.022 1.00 0.00 C ATOM 273 NZ LYS A 18 26.849 30.754 16.004 1.00 0.00 N ATOM 0 H LYS A 18 29.399 24.631 17.978 1.00 0.00 H new ATOM 0 HA LYS A 18 29.754 26.219 15.568 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.236 25.728 15.785 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.273 26.610 17.299 1.00 0.00 H new ATOM 0 HG2 LYS A 18 28.305 28.577 16.032 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.029 27.692 14.545 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.628 27.765 14.831 1.00 0.00 H new ATOM 0 HD3 LYS A 18 25.769 28.313 16.490 1.00 0.00 H new ATOM 0 HE2 LYS A 18 26.747 29.907 14.071 1.00 0.00 H new ATOM 0 HE3 LYS A 18 25.191 30.152 14.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 26.672 31.739 15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 26.443 30.586 16.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 27.874 30.581 16.033 1.00 0.00 H new ATOM 287 N LEU A 19 30.708 27.988 17.045 1.00 0.00 N ATOM 288 CA LEU A 19 31.320 29.071 17.817 1.00 0.00 C ATOM 289 C LEU A 19 30.308 30.203 18.109 1.00 0.00 C ATOM 290 O LEU A 19 29.393 30.456 17.319 1.00 0.00 O ATOM 291 CB LEU A 19 32.561 29.549 17.037 1.00 0.00 C ATOM 292 CG LEU A 19 33.415 30.641 17.707 1.00 0.00 C ATOM 293 CD1 LEU A 19 33.986 30.192 19.055 1.00 0.00 C ATOM 294 CD2 LEU A 19 34.583 30.995 16.786 1.00 0.00 C ATOM 0 H LEU A 19 30.959 28.021 16.057 1.00 0.00 H new ATOM 0 HA LEU A 19 31.632 28.719 18.800 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.199 28.685 16.848 1.00 0.00 H new ATOM 0 HB3 LEU A 19 32.232 29.921 16.067 1.00 0.00 H new ATOM 0 HG LEU A 19 32.767 31.500 17.882 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.580 30.998 19.485 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.169 29.943 19.732 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.617 29.315 18.909 1.00 0.00 H new ATOM 0 HD21 LEU A 19 35.193 31.768 17.253 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.192 30.108 16.613 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.198 31.362 15.835 1.00 0.00 H new ATOM 306 N GLY A 20 30.475 30.893 19.242 1.00 0.00 N ATOM 307 CA GLY A 20 29.561 31.952 19.678 1.00 0.00 C ATOM 308 C GLY A 20 28.226 31.400 20.184 1.00 0.00 C ATOM 309 O GLY A 20 28.187 30.355 20.838 1.00 0.00 O ATOM 0 H GLY A 20 31.251 30.732 19.884 1.00 0.00 H new ATOM 0 HA2 GLY A 20 30.034 32.533 20.470 1.00 0.00 H new ATOM 0 HA3 GLY A 20 29.378 32.634 18.848 1.00 0.00 H new ATOM 313 N ASP A 21 27.133 32.102 19.880 1.00 0.00 N ATOM 314 CA ASP A 21 25.759 31.689 20.192 1.00 0.00 C ATOM 315 C ASP A 21 25.470 30.292 19.608 1.00 0.00 C ATOM 316 O ASP A 21 25.705 30.048 18.425 1.00 0.00 O ATOM 317 CB ASP A 21 24.805 32.756 19.637 1.00 0.00 C ATOM 318 CG ASP A 21 23.333 32.461 19.918 1.00 0.00 C ATOM 319 OD1 ASP A 21 22.701 31.705 19.142 1.00 0.00 O ATOM 320 OD2 ASP A 21 22.756 33.039 20.863 1.00 0.00 O ATOM 0 H ASP A 21 27.178 32.999 19.396 1.00 0.00 H new ATOM 0 HA ASP A 21 25.616 31.610 21.270 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.063 33.723 20.069 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.952 32.839 18.560 1.00 0.00 H new ATOM 325 N ASN A 22 25.004 29.366 20.447 1.00 0.00 N ATOM 326 CA ASN A 22 24.928 27.936 20.160 1.00 0.00 C ATOM 327 C ASN A 22 23.726 27.330 20.914 1.00 0.00 C ATOM 328 O ASN A 22 23.817 26.931 22.076 1.00 0.00 O ATOM 329 CB ASN A 22 26.302 27.322 20.521 1.00 0.00 C ATOM 330 CG ASN A 22 26.414 25.817 20.334 1.00 0.00 C ATOM 331 OD1 ASN A 22 25.463 25.067 20.474 1.00 0.00 O ATOM 332 ND2 ASN A 22 27.596 25.312 20.072 1.00 0.00 N ATOM 0 H ASN A 22 24.657 29.601 21.377 1.00 0.00 H new ATOM 0 HA ASN A 22 24.744 27.719 19.108 1.00 0.00 H new ATOM 0 HB2 ASN A 22 27.067 27.804 19.913 1.00 0.00 H new ATOM 0 HB3 ASN A 22 26.525 27.559 21.561 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.712 24.302 19.988 1.00 0.00 H new ATOM 0 HD22 ASN A 22 28.399 25.929 19.953 1.00 0.00 H new ATOM 339 N ASP A 23 22.584 27.267 20.226 1.00 0.00 N ATOM 340 CA ASP A 23 21.293 26.775 20.729 1.00 0.00 C ATOM 341 C ASP A 23 21.322 25.296 21.183 1.00 0.00 C ATOM 342 O ASP A 23 20.539 24.905 22.048 1.00 0.00 O ATOM 343 CB ASP A 23 20.282 27.021 19.595 1.00 0.00 C ATOM 344 CG ASP A 23 18.865 26.525 19.871 1.00 0.00 C ATOM 345 OD1 ASP A 23 18.077 27.242 20.533 1.00 0.00 O ATOM 346 OD2 ASP A 23 18.524 25.431 19.356 1.00 0.00 O ATOM 0 H ASP A 23 22.528 27.572 19.254 1.00 0.00 H new ATOM 0 HA ASP A 23 21.015 27.309 21.638 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.242 28.091 19.391 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.650 26.537 18.690 1.00 0.00 H new ATOM 351 N TYR A 24 22.250 24.486 20.659 1.00 0.00 N ATOM 352 CA TYR A 24 22.484 23.095 21.080 1.00 0.00 C ATOM 353 C TYR A 24 23.123 23.020 22.479 1.00 0.00 C ATOM 354 O TYR A 24 22.651 22.269 23.335 1.00 0.00 O ATOM 355 CB TYR A 24 23.341 22.412 19.999 1.00 0.00 C ATOM 356 CG TYR A 24 23.890 21.032 20.324 1.00 0.00 C ATOM 357 CD1 TYR A 24 25.116 20.908 21.007 1.00 0.00 C ATOM 358 CD2 TYR A 24 23.228 19.878 19.865 1.00 0.00 C ATOM 359 CE1 TYR A 24 25.685 19.638 21.221 1.00 0.00 C ATOM 360 CE2 TYR A 24 23.798 18.606 20.066 1.00 0.00 C ATOM 361 CZ TYR A 24 25.036 18.485 20.731 1.00 0.00 C ATOM 362 OH TYR A 24 25.621 17.270 20.897 1.00 0.00 O ATOM 0 H TYR A 24 22.876 24.785 19.911 1.00 0.00 H new ATOM 0 HA TYR A 24 21.535 22.567 21.173 1.00 0.00 H new ATOM 0 HB2 TYR A 24 22.742 22.333 19.092 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.182 23.066 19.770 1.00 0.00 H new ATOM 0 HD1 TYR A 24 25.622 21.791 21.368 1.00 0.00 H new ATOM 0 HD2 TYR A 24 22.279 19.968 19.357 1.00 0.00 H new ATOM 0 HE1 TYR A 24 26.617 19.547 21.759 1.00 0.00 H new ATOM 0 HE2 TYR A 24 23.287 17.723 19.711 1.00 0.00 H new ATOM 0 HH TYR A 24 25.050 16.576 20.506 1.00 0.00 H new ATOM 372 N CYS A 25 24.141 23.848 22.738 1.00 0.00 N ATOM 373 CA CYS A 25 24.742 24.042 24.062 1.00 0.00 C ATOM 374 C CYS A 25 23.722 24.641 25.049 1.00 0.00 C ATOM 375 O CYS A 25 23.555 24.127 26.157 1.00 0.00 O ATOM 376 CB CYS A 25 25.982 24.938 23.887 1.00 0.00 C ATOM 377 SG CYS A 25 26.720 25.652 25.384 1.00 0.00 S ATOM 0 H CYS A 25 24.581 24.416 22.014 1.00 0.00 H new ATOM 0 HA CYS A 25 25.046 23.087 24.490 1.00 0.00 H new ATOM 0 HB2 CYS A 25 26.750 24.354 23.380 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.713 25.758 23.221 1.00 0.00 H new ATOM 382 N LEU A 26 22.976 25.665 24.618 1.00 0.00 N ATOM 383 CA LEU A 26 21.944 26.343 25.411 1.00 0.00 C ATOM 384 C LEU A 26 20.890 25.352 25.949 1.00 0.00 C ATOM 385 O LEU A 26 20.586 25.351 27.145 1.00 0.00 O ATOM 386 CB LEU A 26 21.321 27.444 24.523 1.00 0.00 C ATOM 387 CG LEU A 26 20.751 28.665 25.265 1.00 0.00 C ATOM 388 CD1 LEU A 26 20.115 29.630 24.270 1.00 0.00 C ATOM 389 CD2 LEU A 26 19.690 28.309 26.297 1.00 0.00 C ATOM 0 H LEU A 26 23.077 26.056 23.681 1.00 0.00 H new ATOM 0 HA LEU A 26 22.387 26.796 26.298 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.080 27.791 23.822 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.522 26.997 23.931 1.00 0.00 H new ATOM 0 HG LEU A 26 21.597 29.114 25.785 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.714 30.491 24.804 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.867 29.964 23.555 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.308 29.125 23.738 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.333 29.218 26.781 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.856 27.809 25.804 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.120 27.644 27.046 1.00 0.00 H new ATOM 401 N ARG A 27 20.375 24.449 25.102 1.00 0.00 N ATOM 402 CA ARG A 27 19.365 23.446 25.497 1.00 0.00 C ATOM 403 C ARG A 27 19.910 22.268 26.315 1.00 0.00 C ATOM 404 O ARG A 27 19.118 21.583 26.960 1.00 0.00 O ATOM 405 CB ARG A 27 18.574 22.989 24.263 1.00 0.00 C ATOM 406 CG ARG A 27 17.610 24.100 23.805 1.00 0.00 C ATOM 407 CD ARG A 27 16.805 23.721 22.558 1.00 0.00 C ATOM 408 NE ARG A 27 17.670 23.630 21.370 1.00 0.00 N ATOM 409 CZ ARG A 27 18.198 22.553 20.827 1.00 0.00 C ATOM 410 NH1 ARG A 27 17.973 21.350 21.261 1.00 0.00 N ATOM 411 NH2 ARG A 27 18.980 22.696 19.801 1.00 0.00 N ATOM 0 H ARG A 27 20.645 24.390 24.120 1.00 0.00 H new ATOM 0 HA ARG A 27 18.689 23.945 26.191 1.00 0.00 H new ATOM 0 HB2 ARG A 27 19.261 22.738 23.455 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.013 22.084 24.497 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.922 24.333 24.617 1.00 0.00 H new ATOM 0 HG3 ARG A 27 18.180 25.006 23.600 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.306 22.766 22.721 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.025 24.463 22.387 1.00 0.00 H new ATOM 0 HE ARG A 27 17.888 24.513 20.909 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.359 21.203 22.062 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.410 20.552 20.800 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.173 23.627 19.433 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.401 21.877 19.363 1.00 0.00 H new ATOM 425 N GLU A 28 21.230 22.080 26.386 1.00 0.00 N ATOM 426 CA GLU A 28 21.846 21.212 27.402 1.00 0.00 C ATOM 427 C GLU A 28 21.935 21.945 28.756 1.00 0.00 C ATOM 428 O GLU A 28 21.506 21.401 29.774 1.00 0.00 O ATOM 429 CB GLU A 28 23.202 20.667 26.903 1.00 0.00 C ATOM 430 CG GLU A 28 23.663 19.452 27.732 1.00 0.00 C ATOM 431 CD GLU A 28 24.937 18.760 27.212 1.00 0.00 C ATOM 432 OE1 GLU A 28 25.445 19.092 26.114 1.00 0.00 O ATOM 433 OE2 GLU A 28 25.449 17.843 27.903 1.00 0.00 O ATOM 0 H GLU A 28 21.898 22.517 25.751 1.00 0.00 H new ATOM 0 HA GLU A 28 21.213 20.340 27.568 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.117 20.382 25.854 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.954 21.454 26.959 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.835 19.775 28.759 1.00 0.00 H new ATOM 0 HG3 GLU A 28 22.855 18.721 27.759 1.00 0.00 H new ATOM 440 N CYS A 29 22.359 23.219 28.774 1.00 0.00 N ATOM 441 CA CYS A 29 22.367 24.059 29.984 1.00 0.00 C ATOM 442 C CYS A 29 20.964 24.181 30.622 1.00 0.00 C ATOM 443 O CYS A 29 20.806 23.940 31.823 1.00 0.00 O ATOM 444 CB CYS A 29 22.935 25.450 29.649 1.00 0.00 C ATOM 445 SG CYS A 29 24.662 25.511 29.093 1.00 0.00 S ATOM 0 H CYS A 29 22.708 23.699 27.944 1.00 0.00 H new ATOM 0 HA CYS A 29 23.007 23.574 30.721 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.312 25.895 28.873 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.840 26.079 30.534 1.00 0.00 H new ATOM 450 N LYS A 30 19.920 24.469 29.825 1.00 0.00 N ATOM 451 CA LYS A 30 18.519 24.525 30.294 1.00 0.00 C ATOM 452 C LYS A 30 18.031 23.213 30.908 1.00 0.00 C ATOM 453 O LYS A 30 17.246 23.246 31.855 1.00 0.00 O ATOM 454 CB LYS A 30 17.567 24.921 29.152 1.00 0.00 C ATOM 455 CG LYS A 30 17.583 26.420 28.839 1.00 0.00 C ATOM 456 CD LYS A 30 16.447 26.773 27.871 1.00 0.00 C ATOM 457 CE LYS A 30 16.471 28.272 27.571 1.00 0.00 C ATOM 458 NZ LYS A 30 15.216 28.733 26.942 1.00 0.00 N ATOM 0 H LYS A 30 20.022 24.671 28.831 1.00 0.00 H new ATOM 0 HA LYS A 30 18.508 25.284 31.076 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.839 24.367 28.254 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.552 24.623 29.415 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.476 26.992 29.761 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.542 26.697 28.402 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.555 26.206 26.946 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.487 26.495 28.305 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.636 28.824 28.496 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.310 28.496 26.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.391 29.619 26.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.874 28.009 26.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.499 28.896 27.677 1.00 0.00 H new ATOM 472 N GLN A 31 18.498 22.066 30.419 1.00 0.00 N ATOM 473 CA GLN A 31 18.099 20.759 30.949 1.00 0.00 C ATOM 474 C GLN A 31 18.927 20.302 32.163 1.00 0.00 C ATOM 475 O GLN A 31 18.580 19.286 32.770 1.00 0.00 O ATOM 476 CB GLN A 31 18.040 19.727 29.812 1.00 0.00 C ATOM 477 CG GLN A 31 16.819 19.997 28.916 1.00 0.00 C ATOM 478 CD GLN A 31 16.689 18.953 27.821 1.00 0.00 C ATOM 479 OE1 GLN A 31 16.005 17.943 27.963 1.00 0.00 O ATOM 480 NE2 GLN A 31 17.379 19.113 26.719 1.00 0.00 N ATOM 0 H GLN A 31 19.162 22.014 29.646 1.00 0.00 H new ATOM 0 HA GLN A 31 17.093 20.859 31.356 1.00 0.00 H new ATOM 0 HB2 GLN A 31 18.953 19.775 29.219 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.981 18.721 30.227 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.914 20.002 29.524 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.907 20.987 28.468 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.950 19.948 26.592 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.345 18.402 25.988 1.00 0.00 H new ATOM 489 N GLN A 32 19.954 21.062 32.571 1.00 0.00 N ATOM 490 CA GLN A 32 20.660 20.902 33.852 1.00 0.00 C ATOM 491 C GLN A 32 20.139 21.853 34.956 1.00 0.00 C ATOM 492 O GLN A 32 20.216 21.488 36.132 1.00 0.00 O ATOM 493 CB GLN A 32 22.173 21.104 33.640 1.00 0.00 C ATOM 494 CG GLN A 32 22.872 20.047 32.760 1.00 0.00 C ATOM 495 CD GLN A 32 23.169 18.708 33.441 1.00 0.00 C ATOM 496 OE1 GLN A 32 22.710 18.387 34.534 1.00 0.00 O ATOM 497 NE2 GLN A 32 23.967 17.871 32.815 1.00 0.00 N ATOM 0 H GLN A 32 20.326 21.825 32.005 1.00 0.00 H new ATOM 0 HA GLN A 32 20.464 19.888 34.202 1.00 0.00 H new ATOM 0 HB2 GLN A 32 22.331 22.085 33.192 1.00 0.00 H new ATOM 0 HB3 GLN A 32 22.659 21.117 34.615 1.00 0.00 H new ATOM 0 HG2 GLN A 32 22.249 19.859 31.886 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.811 20.466 32.398 1.00 0.00 H new ATOM 0 HE21 GLN A 32 24.357 18.121 31.906 1.00 0.00 H new ATOM 0 HE22 GLN A 32 24.196 16.971 33.238 1.00 0.00 H new ATOM 506 N TYR A 33 19.603 23.039 34.613 1.00 0.00 N ATOM 507 CA TYR A 33 19.300 24.108 35.594 1.00 0.00 C ATOM 508 C TYR A 33 17.970 24.879 35.420 1.00 0.00 C ATOM 509 O TYR A 33 17.682 25.782 36.213 1.00 0.00 O ATOM 510 CB TYR A 33 20.494 25.074 35.639 1.00 0.00 C ATOM 511 CG TYR A 33 21.742 24.452 36.234 1.00 0.00 C ATOM 512 CD1 TYR A 33 21.796 24.202 37.619 1.00 0.00 C ATOM 513 CD2 TYR A 33 22.816 24.069 35.405 1.00 0.00 C ATOM 514 CE1 TYR A 33 22.909 23.547 38.174 1.00 0.00 C ATOM 515 CE2 TYR A 33 23.935 23.417 35.959 1.00 0.00 C ATOM 516 CZ TYR A 33 23.977 23.151 37.345 1.00 0.00 C ATOM 517 OH TYR A 33 25.043 22.515 37.890 1.00 0.00 O ATOM 0 H TYR A 33 19.367 23.287 33.652 1.00 0.00 H new ATOM 0 HA TYR A 33 19.145 23.592 36.541 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.713 25.418 34.628 1.00 0.00 H new ATOM 0 HB3 TYR A 33 20.220 25.953 36.222 1.00 0.00 H new ATOM 0 HD1 TYR A 33 20.981 24.514 38.255 1.00 0.00 H new ATOM 0 HD2 TYR A 33 22.781 24.275 34.345 1.00 0.00 H new ATOM 0 HE1 TYR A 33 22.945 23.348 39.235 1.00 0.00 H new ATOM 0 HE2 TYR A 33 24.758 23.121 35.326 1.00 0.00 H new ATOM 0 HH TYR A 33 25.694 22.307 37.188 1.00 0.00 H new ATOM 527 N GLY A 34 17.120 24.526 34.454 1.00 0.00 N ATOM 528 CA GLY A 34 15.781 25.109 34.278 1.00 0.00 C ATOM 529 C GLY A 34 15.638 26.049 33.078 1.00 0.00 C ATOM 530 O GLY A 34 16.625 26.520 32.499 1.00 0.00 O ATOM 0 H GLY A 34 17.343 23.815 33.758 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.059 24.299 34.174 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.518 25.657 35.183 1.00 0.00 H new ATOM 534 N LYS A 35 14.383 26.299 32.684 1.00 0.00 N ATOM 535 CA LYS A 35 14.009 26.845 31.366 1.00 0.00 C ATOM 536 C LYS A 35 14.521 28.256 31.055 1.00 0.00 C ATOM 537 O LYS A 35 14.633 28.589 29.879 1.00 0.00 O ATOM 538 CB LYS A 35 12.485 26.715 31.173 1.00 0.00 C ATOM 539 CG LYS A 35 11.623 27.682 32.010 1.00 0.00 C ATOM 540 CD LYS A 35 11.239 28.973 31.266 1.00 0.00 C ATOM 541 CE LYS A 35 10.389 29.865 32.179 1.00 0.00 C ATOM 542 NZ LYS A 35 9.758 30.984 31.440 1.00 0.00 N ATOM 0 H LYS A 35 13.577 26.124 33.285 1.00 0.00 H new ATOM 0 HA LYS A 35 14.532 26.237 30.628 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.256 26.872 30.119 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.192 25.693 31.415 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.713 27.168 32.320 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.166 27.945 32.918 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.138 29.506 30.956 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.684 28.730 30.360 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.614 29.263 32.653 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.014 30.266 32.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.194 31.560 32.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.497 31.575 31.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.140 30.603 30.695 1.00 0.00 H new ATOM 556 N SER A 36 14.863 29.074 32.054 1.00 0.00 N ATOM 557 CA SER A 36 15.388 30.436 31.842 1.00 0.00 C ATOM 558 C SER A 36 16.919 30.527 31.727 1.00 0.00 C ATOM 559 O SER A 36 17.445 31.622 31.506 1.00 0.00 O ATOM 560 CB SER A 36 14.843 31.390 32.909 1.00 0.00 C ATOM 561 OG SER A 36 13.446 31.575 32.732 1.00 0.00 O ATOM 0 H SER A 36 14.785 28.815 33.037 1.00 0.00 H new ATOM 0 HA SER A 36 15.025 30.745 30.862 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.041 30.988 33.903 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.356 32.350 32.845 1.00 0.00 H new ATOM 0 HG SER A 36 13.107 32.185 33.420 1.00 0.00 H new ATOM 567 N SER A 37 17.631 29.396 31.809 1.00 0.00 N ATOM 568 CA SER A 37 19.092 29.323 31.636 1.00 0.00 C ATOM 569 C SER A 37 19.548 29.756 30.231 1.00 0.00 C ATOM 570 O SER A 37 18.783 29.701 29.264 1.00 0.00 O ATOM 571 CB SER A 37 19.612 27.902 31.896 1.00 0.00 C ATOM 572 OG SER A 37 19.117 27.361 33.107 1.00 0.00 O ATOM 0 H SER A 37 17.204 28.490 32.000 1.00 0.00 H new ATOM 0 HA SER A 37 19.508 30.017 32.366 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.324 27.255 31.067 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.702 27.916 31.926 1.00 0.00 H new ATOM 0 HG SER A 37 18.244 26.946 32.947 1.00 0.00 H new ATOM 578 N GLY A 38 20.816 30.150 30.106 1.00 0.00 N ATOM 579 CA GLY A 38 21.504 30.448 28.846 1.00 0.00 C ATOM 580 C GLY A 38 22.765 29.598 28.653 1.00 0.00 C ATOM 581 O GLY A 38 23.140 28.805 29.521 1.00 0.00 O ATOM 0 H GLY A 38 21.421 30.276 30.918 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.822 30.276 28.013 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.774 31.504 28.824 1.00 0.00 H new ATOM 585 N GLY A 39 23.426 29.756 27.506 1.00 0.00 N ATOM 586 CA GLY A 39 24.657 29.035 27.186 1.00 0.00 C ATOM 587 C GLY A 39 25.114 29.190 25.734 1.00 0.00 C ATOM 588 O GLY A 39 24.296 29.335 24.826 1.00 0.00 O ATOM 0 H GLY A 39 23.120 30.391 26.769 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.452 29.385 27.845 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.510 27.976 27.398 1.00 0.00 H new ATOM 592 N TYR A 40 26.430 29.184 25.525 1.00 0.00 N ATOM 593 CA TYR A 40 27.104 29.470 24.253 1.00 0.00 C ATOM 594 C TYR A 40 28.476 28.767 24.188 1.00 0.00 C ATOM 595 O TYR A 40 28.948 28.234 25.191 1.00 0.00 O ATOM 596 CB TYR A 40 27.227 30.999 24.096 1.00 0.00 C ATOM 597 CG TYR A 40 28.216 31.692 25.019 1.00 0.00 C ATOM 598 CD1 TYR A 40 27.892 31.920 26.370 1.00 0.00 C ATOM 599 CD2 TYR A 40 29.449 32.151 24.514 1.00 0.00 C ATOM 600 CE1 TYR A 40 28.801 32.590 27.210 1.00 0.00 C ATOM 601 CE2 TYR A 40 30.355 32.836 25.350 1.00 0.00 C ATOM 602 CZ TYR A 40 30.033 33.051 26.706 1.00 0.00 C ATOM 603 OH TYR A 40 30.867 33.757 27.513 1.00 0.00 O ATOM 0 H TYR A 40 27.090 28.969 26.273 1.00 0.00 H new ATOM 0 HA TYR A 40 26.518 29.078 23.422 1.00 0.00 H new ATOM 0 HB2 TYR A 40 27.510 31.216 23.066 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.243 31.440 24.256 1.00 0.00 H new ATOM 0 HD1 TYR A 40 26.945 31.580 26.762 1.00 0.00 H new ATOM 0 HD2 TYR A 40 29.702 31.977 23.479 1.00 0.00 H new ATOM 0 HE1 TYR A 40 28.552 32.752 28.248 1.00 0.00 H new ATOM 0 HE2 TYR A 40 31.293 33.195 24.953 1.00 0.00 H new ATOM 0 HH TYR A 40 31.675 34.001 27.015 1.00 0.00 H new ATOM 613 N CYS A 41 29.141 28.746 23.028 1.00 0.00 N ATOM 614 CA CYS A 41 30.516 28.239 22.931 1.00 0.00 C ATOM 615 C CYS A 41 31.535 29.374 23.134 1.00 0.00 C ATOM 616 O CYS A 41 31.553 30.352 22.377 1.00 0.00 O ATOM 617 CB CYS A 41 30.721 27.470 21.622 1.00 0.00 C ATOM 618 SG CYS A 41 32.320 26.613 21.559 1.00 0.00 S ATOM 0 H CYS A 41 28.751 29.073 22.144 1.00 0.00 H new ATOM 0 HA CYS A 41 30.688 27.526 23.737 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.918 26.743 21.503 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.651 28.163 20.783 1.00 0.00 H new ATOM 623 N TYR A 42 32.388 29.245 24.156 1.00 0.00 N ATOM 624 CA TYR A 42 33.320 30.297 24.588 1.00 0.00 C ATOM 625 C TYR A 42 34.430 30.531 23.545 1.00 0.00 C ATOM 626 O TYR A 42 34.569 31.640 23.023 1.00 0.00 O ATOM 627 CB TYR A 42 33.846 29.921 25.985 1.00 0.00 C ATOM 628 CG TYR A 42 34.749 30.932 26.677 1.00 0.00 C ATOM 629 CD1 TYR A 42 36.143 30.889 26.475 1.00 0.00 C ATOM 630 CD2 TYR A 42 34.209 31.838 27.613 1.00 0.00 C ATOM 631 CE1 TYR A 42 36.995 31.720 27.229 1.00 0.00 C ATOM 632 CE2 TYR A 42 35.059 32.679 28.361 1.00 0.00 C ATOM 633 CZ TYR A 42 36.457 32.602 28.187 1.00 0.00 C ATOM 634 OH TYR A 42 37.287 33.383 28.928 1.00 0.00 O ATOM 0 H TYR A 42 32.453 28.395 24.716 1.00 0.00 H new ATOM 0 HA TYR A 42 32.811 31.258 24.663 1.00 0.00 H new ATOM 0 HB2 TYR A 42 32.988 29.734 26.631 1.00 0.00 H new ATOM 0 HB3 TYR A 42 34.392 28.981 25.900 1.00 0.00 H new ATOM 0 HD1 TYR A 42 36.560 30.217 25.740 1.00 0.00 H new ATOM 0 HD2 TYR A 42 33.140 31.888 27.758 1.00 0.00 H new ATOM 0 HE1 TYR A 42 38.063 31.681 27.072 1.00 0.00 H new ATOM 0 HE2 TYR A 42 34.640 33.381 29.066 1.00 0.00 H new ATOM 0 HH TYR A 42 38.182 32.983 28.947 1.00 0.00 H new ATOM 644 N ALA A 43 35.160 29.470 23.182 1.00 0.00 N ATOM 645 CA ALA A 43 36.106 29.439 22.055 1.00 0.00 C ATOM 646 C ALA A 43 36.271 28.037 21.417 1.00 0.00 C ATOM 647 O ALA A 43 36.609 27.920 20.234 1.00 0.00 O ATOM 648 CB ALA A 43 37.457 29.960 22.559 1.00 0.00 C ATOM 0 H ALA A 43 35.109 28.580 23.678 1.00 0.00 H new ATOM 0 HA ALA A 43 35.705 30.071 21.262 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.179 29.948 21.743 1.00 0.00 H new ATOM 0 HB2 ALA A 43 37.340 30.980 22.925 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.814 29.323 23.368 1.00 0.00 H new ATOM 654 N PHE A 44 36.035 26.978 22.197 1.00 0.00 N ATOM 655 CA PHE A 44 36.231 25.566 21.845 1.00 0.00 C ATOM 656 C PHE A 44 35.159 24.645 22.468 1.00 0.00 C ATOM 657 O PHE A 44 34.796 23.636 21.862 1.00 0.00 O ATOM 658 CB PHE A 44 37.642 25.168 22.320 1.00 0.00 C ATOM 659 CG PHE A 44 38.175 23.861 21.763 1.00 0.00 C ATOM 660 CD1 PHE A 44 37.856 22.635 22.378 1.00 0.00 C ATOM 661 CD2 PHE A 44 39.022 23.870 20.637 1.00 0.00 C ATOM 662 CE1 PHE A 44 38.362 21.432 21.857 1.00 0.00 C ATOM 663 CE2 PHE A 44 39.526 22.666 20.116 1.00 0.00 C ATOM 664 CZ PHE A 44 39.191 21.443 20.722 1.00 0.00 C ATOM 0 H PHE A 44 35.681 27.088 23.147 1.00 0.00 H new ATOM 0 HA PHE A 44 36.131 25.445 20.766 1.00 0.00 H new ATOM 0 HB2 PHE A 44 38.335 25.966 22.053 1.00 0.00 H new ATOM 0 HB3 PHE A 44 37.635 25.103 23.408 1.00 0.00 H new ATOM 0 HD1 PHE A 44 37.221 22.619 23.252 1.00 0.00 H new ATOM 0 HD2 PHE A 44 39.286 24.808 20.171 1.00 0.00 H new ATOM 0 HE1 PHE A 44 38.113 20.494 22.331 1.00 0.00 H new ATOM 0 HE2 PHE A 44 40.171 22.681 19.250 1.00 0.00 H new ATOM 0 HZ PHE A 44 39.569 20.516 20.317 1.00 0.00 H new ATOM 674 N ALA A 45 34.633 24.990 23.653 1.00 0.00 N ATOM 675 CA ALA A 45 33.633 24.202 24.384 1.00 0.00 C ATOM 676 C ALA A 45 32.478 25.044 24.980 1.00 0.00 C ATOM 677 O ALA A 45 32.558 26.270 25.099 1.00 0.00 O ATOM 678 CB ALA A 45 34.361 23.379 25.457 1.00 0.00 C ATOM 0 H ALA A 45 34.899 25.846 24.140 1.00 0.00 H new ATOM 0 HA ALA A 45 33.136 23.541 23.673 1.00 0.00 H new ATOM 0 HB1 ALA A 45 33.636 22.785 26.014 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.083 22.717 24.980 1.00 0.00 H new ATOM 0 HB3 ALA A 45 34.881 24.051 26.140 1.00 0.00 H new ATOM 684 N CYS A 46 31.397 24.348 25.344 1.00 0.00 N ATOM 685 CA CYS A 46 30.132 24.878 25.863 1.00 0.00 C ATOM 686 C CYS A 46 30.239 25.460 27.287 1.00 0.00 C ATOM 687 O CYS A 46 30.764 24.832 28.211 1.00 0.00 O ATOM 688 CB CYS A 46 29.088 23.750 25.790 1.00 0.00 C ATOM 689 SG CYS A 46 27.435 24.084 26.464 1.00 0.00 S ATOM 0 H CYS A 46 31.381 23.330 25.280 1.00 0.00 H new ATOM 0 HA CYS A 46 29.832 25.725 25.246 1.00 0.00 H new ATOM 0 HB2 CYS A 46 28.973 23.467 24.744 1.00 0.00 H new ATOM 0 HB3 CYS A 46 29.494 22.883 26.312 1.00 0.00 H new ATOM 694 N TRP A 47 29.684 26.658 27.460 1.00 0.00 N ATOM 695 CA TRP A 47 29.706 27.480 28.669 1.00 0.00 C ATOM 696 C TRP A 47 28.288 27.986 28.960 1.00 0.00 C ATOM 697 O TRP A 47 27.642 28.557 28.081 1.00 0.00 O ATOM 698 CB TRP A 47 30.713 28.614 28.414 1.00 0.00 C ATOM 699 CG TRP A 47 30.868 29.688 29.446 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.918 30.590 29.782 1.00 0.00 C ATOM 701 CD2 TRP A 47 32.066 30.085 30.185 1.00 0.00 C ATOM 702 NE1 TRP A 47 30.441 31.515 30.659 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.766 31.261 30.936 1.00 0.00 C ATOM 704 CE3 TRP A 47 33.391 29.601 30.262 1.00 0.00 C ATOM 705 CZ2 TRP A 47 32.724 31.925 31.713 1.00 0.00 C ATOM 706 CZ3 TRP A 47 34.368 30.269 31.028 1.00 0.00 C ATOM 707 CH2 TRP A 47 34.039 31.433 31.745 1.00 0.00 C ATOM 0 H TRP A 47 29.170 27.112 26.705 1.00 0.00 H new ATOM 0 HA TRP A 47 30.020 26.924 29.553 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.692 28.158 28.263 1.00 0.00 H new ATOM 0 HB3 TRP A 47 30.437 29.095 27.476 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.901 30.586 29.417 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.912 32.292 31.054 1.00 0.00 H new ATOM 0 HE3 TRP A 47 33.660 28.704 29.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 32.455 32.804 32.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 35.376 29.884 31.064 1.00 0.00 H new ATOM 0 HH2 TRP A 47 34.796 31.947 32.319 1.00 0.00 H new ATOM 718 N CYS A 48 27.790 27.779 30.180 1.00 0.00 N ATOM 719 CA CYS A 48 26.425 28.128 30.586 1.00 0.00 C ATOM 720 C CYS A 48 26.353 29.506 31.268 1.00 0.00 C ATOM 721 O CYS A 48 27.322 29.973 31.870 1.00 0.00 O ATOM 722 CB CYS A 48 25.847 27.029 31.488 1.00 0.00 C ATOM 723 SG CYS A 48 25.779 25.350 30.794 1.00 0.00 S ATOM 0 H CYS A 48 28.335 27.355 30.931 1.00 0.00 H new ATOM 0 HA CYS A 48 25.818 28.198 29.684 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.438 26.995 32.403 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.836 27.320 31.773 1.00 0.00 H new ATOM 728 N THR A 49 25.185 30.147 31.192 1.00 0.00 N ATOM 729 CA THR A 49 24.900 31.497 31.718 1.00 0.00 C ATOM 730 C THR A 49 23.480 31.584 32.292 1.00 0.00 C ATOM 731 O THR A 49 22.696 30.639 32.180 1.00 0.00 O ATOM 732 CB THR A 49 25.075 32.567 30.623 1.00 0.00 C ATOM 733 OG1 THR A 49 24.212 32.305 29.542 1.00 0.00 O ATOM 734 CG2 THR A 49 26.494 32.626 30.065 1.00 0.00 C ATOM 0 H THR A 49 24.371 29.726 30.743 1.00 0.00 H new ATOM 0 HA THR A 49 25.615 31.686 32.518 1.00 0.00 H new ATOM 0 HB THR A 49 24.845 33.519 31.101 1.00 0.00 H new ATOM 0 HG1 THR A 49 24.331 32.993 28.854 1.00 0.00 H new ATOM 0 HG21 THR A 49 26.552 33.399 29.298 1.00 0.00 H new ATOM 0 HG22 THR A 49 27.192 32.860 30.869 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.754 31.662 29.628 1.00 0.00 H new ATOM 742 N HIS A 50 23.126 32.710 32.924 1.00 0.00 N ATOM 743 CA HIS A 50 21.823 32.945 33.576 1.00 0.00 C ATOM 744 C HIS A 50 21.477 31.936 34.689 1.00 0.00 C ATOM 745 O HIS A 50 20.314 31.821 35.085 1.00 0.00 O ATOM 746 CB HIS A 50 20.704 33.132 32.528 1.00 0.00 C ATOM 747 CG HIS A 50 20.876 34.336 31.632 1.00 0.00 C ATOM 748 ND1 HIS A 50 20.398 35.617 31.919 1.00 0.00 N ATOM 749 CD2 HIS A 50 21.485 34.360 30.410 1.00 0.00 C ATOM 750 CE1 HIS A 50 20.709 36.378 30.852 1.00 0.00 C ATOM 751 NE2 HIS A 50 21.377 35.652 29.940 1.00 0.00 N ATOM 0 H HIS A 50 23.755 33.510 33.000 1.00 0.00 H new ATOM 0 HA HIS A 50 21.913 33.887 34.118 1.00 0.00 H new ATOM 0 HB2 HIS A 50 20.653 32.238 31.907 1.00 0.00 H new ATOM 0 HB3 HIS A 50 19.749 33.215 33.047 1.00 0.00 H new ATOM 0 HD2 HIS A 50 21.959 33.529 29.909 1.00 0.00 H new ATOM 0 HE1 HIS A 50 20.457 37.423 30.745 1.00 0.00 H new ATOM 0 HE2 HIS A 50 21.742 35.997 29.052 1.00 0.00 H new ATOM 759 N LEU A 51 22.473 31.231 35.234 1.00 0.00 N ATOM 760 CA LEU A 51 22.296 30.282 36.337 1.00 0.00 C ATOM 761 C LEU A 51 22.240 31.016 37.687 1.00 0.00 C ATOM 762 O LEU A 51 22.750 32.135 37.805 1.00 0.00 O ATOM 763 CB LEU A 51 23.414 29.221 36.321 1.00 0.00 C ATOM 764 CG LEU A 51 23.693 28.542 34.965 1.00 0.00 C ATOM 765 CD1 LEU A 51 24.677 27.392 35.173 1.00 0.00 C ATOM 766 CD2 LEU A 51 22.432 27.972 34.321 1.00 0.00 C ATOM 0 H LEU A 51 23.439 31.305 34.916 1.00 0.00 H new ATOM 0 HA LEU A 51 21.344 29.769 36.202 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.336 29.690 36.665 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.161 28.447 37.046 1.00 0.00 H new ATOM 0 HG LEU A 51 24.098 29.307 34.303 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.878 26.908 34.217 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.608 27.780 35.586 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.248 26.666 35.864 1.00 0.00 H new ATOM 0 HD21 LEU A 51 22.688 27.506 33.369 1.00 0.00 H new ATOM 0 HD22 LEU A 51 21.991 27.227 34.983 1.00 0.00 H new ATOM 0 HD23 LEU A 51 21.715 28.776 34.150 1.00 0.00 H new ATOM 778 N TYR A 52 21.654 30.390 38.706 1.00 0.00 N ATOM 779 CA TYR A 52 21.653 30.892 40.087 1.00 0.00 C ATOM 780 C TYR A 52 22.891 30.404 40.874 1.00 0.00 C ATOM 781 O TYR A 52 23.638 29.526 40.437 1.00 0.00 O ATOM 782 CB TYR A 52 20.311 30.558 40.765 1.00 0.00 C ATOM 783 CG TYR A 52 19.122 31.384 40.279 1.00 0.00 C ATOM 784 CD1 TYR A 52 18.553 31.149 39.010 1.00 0.00 C ATOM 785 CD2 TYR A 52 18.570 32.386 41.104 1.00 0.00 C ATOM 786 CE1 TYR A 52 17.435 31.887 38.576 1.00 0.00 C ATOM 787 CE2 TYR A 52 17.450 33.128 40.675 1.00 0.00 C ATOM 788 CZ TYR A 52 16.871 32.870 39.414 1.00 0.00 C ATOM 789 OH TYR A 52 15.765 33.557 39.018 1.00 0.00 O ATOM 0 H TYR A 52 21.158 29.506 38.598 1.00 0.00 H new ATOM 0 HA TYR A 52 21.740 31.978 40.075 1.00 0.00 H new ATOM 0 HB2 TYR A 52 20.092 29.503 40.604 1.00 0.00 H new ATOM 0 HB3 TYR A 52 20.418 30.700 41.840 1.00 0.00 H new ATOM 0 HD1 TYR A 52 18.979 30.395 38.365 1.00 0.00 H new ATOM 0 HD2 TYR A 52 19.008 32.586 42.071 1.00 0.00 H new ATOM 0 HE1 TYR A 52 17.010 31.700 37.601 1.00 0.00 H new ATOM 0 HE2 TYR A 52 17.035 33.895 41.312 1.00 0.00 H new ATOM 0 HH TYR A 52 15.509 34.195 39.716 1.00 0.00 H new ATOM 799 N GLU A 53 23.145 31.012 42.036 1.00 0.00 N ATOM 800 CA GLU A 53 24.459 31.010 42.706 1.00 0.00 C ATOM 801 C GLU A 53 24.997 29.657 43.222 1.00 0.00 C ATOM 802 O GLU A 53 26.155 29.603 43.639 1.00 0.00 O ATOM 803 CB GLU A 53 24.464 32.070 43.823 1.00 0.00 C ATOM 804 CG GLU A 53 23.473 31.799 44.964 1.00 0.00 C ATOM 805 CD GLU A 53 23.488 32.956 45.969 1.00 0.00 C ATOM 806 OE1 GLU A 53 24.472 33.058 46.743 1.00 0.00 O ATOM 807 OE2 GLU A 53 22.534 33.778 45.976 1.00 0.00 O ATOM 0 H GLU A 53 22.434 31.530 42.551 1.00 0.00 H new ATOM 0 HA GLU A 53 25.166 31.254 41.913 1.00 0.00 H new ATOM 0 HB2 GLU A 53 25.469 32.135 44.240 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.237 33.042 43.385 1.00 0.00 H new ATOM 0 HG2 GLU A 53 22.469 31.673 44.560 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.734 30.868 45.467 1.00 0.00 H new ATOM 814 N GLN A 54 24.215 28.573 43.181 1.00 0.00 N ATOM 815 CA GLN A 54 24.617 27.224 43.629 1.00 0.00 C ATOM 816 C GLN A 54 24.774 26.187 42.498 1.00 0.00 C ATOM 817 O GLN A 54 25.029 25.008 42.769 1.00 0.00 O ATOM 818 CB GLN A 54 23.704 26.727 44.766 1.00 0.00 C ATOM 819 CG GLN A 54 22.259 26.398 44.357 1.00 0.00 C ATOM 820 CD GLN A 54 21.463 27.631 43.958 1.00 0.00 C ATOM 821 OE1 GLN A 54 21.153 27.856 42.794 1.00 0.00 O ATOM 822 NE2 GLN A 54 21.144 28.500 44.885 1.00 0.00 N ATOM 0 H GLN A 54 23.259 28.604 42.827 1.00 0.00 H new ATOM 0 HA GLN A 54 25.627 27.332 44.024 1.00 0.00 H new ATOM 0 HB2 GLN A 54 24.151 25.835 45.204 1.00 0.00 H new ATOM 0 HB3 GLN A 54 23.678 27.487 45.547 1.00 0.00 H new ATOM 0 HG2 GLN A 54 22.273 25.695 43.524 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.756 25.899 45.186 1.00 0.00 H new ATOM 0 HE21 GLN A 54 21.396 28.324 45.857 1.00 0.00 H new ATOM 0 HE22 GLN A 54 20.643 29.352 44.634 1.00 0.00 H new ATOM 831 N ALA A 55 24.639 26.599 41.233 1.00 0.00 N ATOM 832 CA ALA A 55 24.978 25.755 40.087 1.00 0.00 C ATOM 833 C ALA A 55 26.480 25.411 40.071 1.00 0.00 C ATOM 834 O ALA A 55 27.312 26.264 40.388 1.00 0.00 O ATOM 835 CB ALA A 55 24.561 26.480 38.804 1.00 0.00 C ATOM 0 H ALA A 55 24.293 27.524 40.977 1.00 0.00 H new ATOM 0 HA ALA A 55 24.440 24.810 40.161 1.00 0.00 H new ATOM 0 HB1 ALA A 55 24.808 25.862 37.940 1.00 0.00 H new ATOM 0 HB2 ALA A 55 23.487 26.665 38.823 1.00 0.00 H new ATOM 0 HB3 ALA A 55 25.091 27.430 38.734 1.00 0.00 H new ATOM 841 N VAL A 56 26.849 24.190 39.670 1.00 0.00 N ATOM 842 CA VAL A 56 28.257 23.773 39.535 1.00 0.00 C ATOM 843 C VAL A 56 28.728 23.941 38.087 1.00 0.00 C ATOM 844 O VAL A 56 28.458 23.109 37.220 1.00 0.00 O ATOM 845 CB VAL A 56 28.518 22.386 40.165 1.00 0.00 C ATOM 846 CG1 VAL A 56 27.634 21.242 39.657 1.00 0.00 C ATOM 847 CG2 VAL A 56 29.992 21.986 40.030 1.00 0.00 C ATOM 0 H VAL A 56 26.181 23.458 39.428 1.00 0.00 H new ATOM 0 HA VAL A 56 28.888 24.439 40.123 1.00 0.00 H new ATOM 0 HB VAL A 56 28.245 22.525 41.211 1.00 0.00 H new ATOM 0 HG11 VAL A 56 27.905 20.318 40.168 1.00 0.00 H new ATOM 0 HG12 VAL A 56 26.588 21.474 39.858 1.00 0.00 H new ATOM 0 HG13 VAL A 56 27.779 21.119 38.584 1.00 0.00 H new ATOM 0 HG21 VAL A 56 30.146 21.006 40.482 1.00 0.00 H new ATOM 0 HG22 VAL A 56 30.263 21.946 38.975 1.00 0.00 H new ATOM 0 HG23 VAL A 56 30.617 22.722 40.537 1.00 0.00 H new ATOM 857 N VAL A 57 29.410 25.060 37.827 1.00 0.00 N ATOM 858 CA VAL A 57 30.046 25.431 36.548 1.00 0.00 C ATOM 859 C VAL A 57 31.356 26.175 36.819 1.00 0.00 C ATOM 860 O VAL A 57 31.440 26.937 37.783 1.00 0.00 O ATOM 861 CB VAL A 57 29.129 26.284 35.643 1.00 0.00 C ATOM 862 CG1 VAL A 57 27.959 25.467 35.084 1.00 0.00 C ATOM 863 CG2 VAL A 57 28.565 27.539 36.325 1.00 0.00 C ATOM 0 H VAL A 57 29.544 25.776 38.541 1.00 0.00 H new ATOM 0 HA VAL A 57 30.245 24.505 36.009 1.00 0.00 H new ATOM 0 HB VAL A 57 29.783 26.610 34.834 1.00 0.00 H new ATOM 0 HG11 VAL A 57 27.339 26.104 34.453 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.345 24.636 34.493 1.00 0.00 H new ATOM 0 HG13 VAL A 57 27.360 25.079 35.908 1.00 0.00 H new ATOM 0 HG21 VAL A 57 27.932 28.082 35.623 1.00 0.00 H new ATOM 0 HG22 VAL A 57 27.975 27.247 37.194 1.00 0.00 H new ATOM 0 HG23 VAL A 57 29.387 28.180 36.643 1.00 0.00 H new ATOM 873 N TRP A 58 32.384 25.962 35.993 1.00 0.00 N ATOM 874 CA TRP A 58 33.744 26.433 36.258 1.00 0.00 C ATOM 875 C TRP A 58 34.190 27.541 35.276 1.00 0.00 C ATOM 876 O TRP A 58 34.432 27.249 34.100 1.00 0.00 O ATOM 877 CB TRP A 58 34.671 25.214 36.208 1.00 0.00 C ATOM 878 CG TRP A 58 34.462 24.092 37.194 1.00 0.00 C ATOM 879 CD1 TRP A 58 34.756 22.797 36.924 1.00 0.00 C ATOM 880 CD2 TRP A 58 34.007 24.103 38.595 1.00 0.00 C ATOM 881 NE1 TRP A 58 34.523 22.014 38.036 1.00 0.00 N ATOM 882 CE2 TRP A 58 34.051 22.761 39.089 1.00 0.00 C ATOM 883 CE3 TRP A 58 33.575 25.088 39.516 1.00 0.00 C ATOM 884 CZ2 TRP A 58 33.680 22.418 40.398 1.00 0.00 C ATOM 885 CZ3 TRP A 58 33.181 24.753 40.827 1.00 0.00 C ATOM 886 CH2 TRP A 58 33.232 23.420 41.271 1.00 0.00 C ATOM 0 H TRP A 58 32.294 25.453 35.114 1.00 0.00 H new ATOM 0 HA TRP A 58 33.786 26.898 37.243 1.00 0.00 H new ATOM 0 HB2 TRP A 58 34.601 24.789 35.207 1.00 0.00 H new ATOM 0 HB3 TRP A 58 35.693 25.573 36.331 1.00 0.00 H new ATOM 0 HD1 TRP A 58 35.120 22.431 35.975 1.00 0.00 H new ATOM 0 HE1 TRP A 58 34.681 21.007 38.072 1.00 0.00 H new ATOM 0 HE3 TRP A 58 33.547 26.122 39.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 33.739 21.392 40.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 32.837 25.527 41.497 1.00 0.00 H new ATOM 0 HH2 TRP A 58 32.928 23.170 42.277 1.00 0.00 H new ATOM 897 N PRO A 59 34.308 28.817 35.700 1.00 0.00 N ATOM 898 CA PRO A 59 34.720 29.921 34.827 1.00 0.00 C ATOM 899 C PRO A 59 36.254 30.025 34.684 1.00 0.00 C ATOM 900 O PRO A 59 36.917 30.835 35.344 1.00 0.00 O ATOM 901 CB PRO A 59 34.059 31.167 35.428 1.00 0.00 C ATOM 902 CG PRO A 59 34.026 30.855 36.922 1.00 0.00 C ATOM 903 CD PRO A 59 33.806 29.342 36.964 1.00 0.00 C ATOM 0 HA PRO A 59 34.396 29.774 33.797 1.00 0.00 H new ATOM 0 HB2 PRO A 59 34.633 32.069 35.217 1.00 0.00 H new ATOM 0 HB3 PRO A 59 33.058 31.325 35.027 1.00 0.00 H new ATOM 0 HG2 PRO A 59 34.957 31.139 37.412 1.00 0.00 H new ATOM 0 HG3 PRO A 59 33.223 31.392 37.427 1.00 0.00 H new ATOM 0 HD2 PRO A 59 34.334 28.896 37.807 1.00 0.00 H new ATOM 0 HD3 PRO A 59 32.749 29.107 37.090 1.00 0.00 H new ATOM 911 N LEU A 60 36.830 29.195 33.806 1.00 0.00 N ATOM 912 CA LEU A 60 38.255 29.220 33.437 1.00 0.00 C ATOM 913 C LEU A 60 38.508 30.284 32.341 1.00 0.00 C ATOM 914 O LEU A 60 38.052 30.097 31.207 1.00 0.00 O ATOM 915 CB LEU A 60 38.717 27.835 32.938 1.00 0.00 C ATOM 916 CG LEU A 60 39.015 26.765 34.002 1.00 0.00 C ATOM 917 CD1 LEU A 60 37.795 26.351 34.822 1.00 0.00 C ATOM 918 CD2 LEU A 60 39.552 25.515 33.306 1.00 0.00 C ATOM 0 H LEU A 60 36.306 28.468 33.319 1.00 0.00 H new ATOM 0 HA LEU A 60 38.830 29.479 34.326 1.00 0.00 H new ATOM 0 HB2 LEU A 60 37.949 27.443 32.272 1.00 0.00 H new ATOM 0 HB3 LEU A 60 39.617 27.975 32.339 1.00 0.00 H new ATOM 0 HG LEU A 60 39.737 27.208 34.689 1.00 0.00 H new ATOM 0 HD11 LEU A 60 38.086 25.594 35.550 1.00 0.00 H new ATOM 0 HD12 LEU A 60 37.395 27.221 35.343 1.00 0.00 H new ATOM 0 HD13 LEU A 60 37.032 25.942 34.159 1.00 0.00 H new ATOM 0 HD21 LEU A 60 39.767 24.748 34.050 1.00 0.00 H new ATOM 0 HD22 LEU A 60 38.807 25.141 32.604 1.00 0.00 H new ATOM 0 HD23 LEU A 60 40.466 25.763 32.766 1.00 0.00 H new ATOM 930 N PRO A 61 39.243 31.380 32.615 1.00 0.00 N ATOM 931 CA PRO A 61 39.380 32.496 31.673 1.00 0.00 C ATOM 932 C PRO A 61 40.206 32.173 30.414 1.00 0.00 C ATOM 933 O PRO A 61 39.988 32.811 29.381 1.00 0.00 O ATOM 934 CB PRO A 61 40.008 33.635 32.485 1.00 0.00 C ATOM 935 CG PRO A 61 40.782 32.910 33.583 1.00 0.00 C ATOM 936 CD PRO A 61 39.903 31.699 33.873 1.00 0.00 C ATOM 0 HA PRO A 61 38.403 32.757 31.267 1.00 0.00 H new ATOM 0 HB2 PRO A 61 40.665 34.250 31.871 1.00 0.00 H new ATOM 0 HB3 PRO A 61 39.248 34.297 32.900 1.00 0.00 H new ATOM 0 HG2 PRO A 61 41.777 32.617 33.250 1.00 0.00 H new ATOM 0 HG3 PRO A 61 40.913 33.535 34.466 1.00 0.00 H new ATOM 0 HD2 PRO A 61 40.500 30.858 34.226 1.00 0.00 H new ATOM 0 HD3 PRO A 61 39.174 31.922 34.652 1.00 0.00 H new ATOM 944 N ASN A 62 41.120 31.195 30.466 1.00 0.00 N ATOM 945 CA ASN A 62 42.023 30.841 29.363 1.00 0.00 C ATOM 946 C ASN A 62 41.968 29.352 28.962 1.00 0.00 C ATOM 947 O ASN A 62 41.883 29.044 27.774 1.00 0.00 O ATOM 948 CB ASN A 62 43.449 31.277 29.757 1.00 0.00 C ATOM 949 CG ASN A 62 44.484 30.802 28.753 1.00 0.00 C ATOM 950 OD1 ASN A 62 44.276 30.825 27.549 1.00 0.00 O ATOM 951 ND2 ASN A 62 45.596 30.285 29.199 1.00 0.00 N ATOM 0 H ASN A 62 41.255 30.615 31.294 1.00 0.00 H new ATOM 0 HA ASN A 62 41.694 31.370 28.468 1.00 0.00 H new ATOM 0 HB2 ASN A 62 43.489 32.364 29.833 1.00 0.00 H new ATOM 0 HB3 ASN A 62 43.691 30.880 30.743 1.00 0.00 H new ATOM 0 HD21 ASN A 62 46.280 29.906 28.545 1.00 0.00 H new ATOM 0 HD22 ASN A 62 45.781 30.260 30.202 1.00 0.00 H new ATOM 958 N LYS A 63 42.026 28.416 29.915 1.00 0.00 N ATOM 959 CA LYS A 63 42.100 26.962 29.652 1.00 0.00 C ATOM 960 C LYS A 63 40.714 26.302 29.621 1.00 0.00 C ATOM 961 O LYS A 63 39.704 26.941 29.917 1.00 0.00 O ATOM 962 CB LYS A 63 43.029 26.287 30.684 1.00 0.00 C ATOM 963 CG LYS A 63 44.442 26.894 30.789 1.00 0.00 C ATOM 964 CD LYS A 63 45.301 26.753 29.519 1.00 0.00 C ATOM 965 CE LYS A 63 45.715 25.312 29.184 1.00 0.00 C ATOM 966 NZ LYS A 63 46.576 24.728 30.239 1.00 0.00 N ATOM 0 H LYS A 63 42.023 28.644 30.909 1.00 0.00 H new ATOM 0 HA LYS A 63 42.523 26.823 28.657 1.00 0.00 H new ATOM 0 HB2 LYS A 63 42.555 26.338 31.664 1.00 0.00 H new ATOM 0 HB3 LYS A 63 43.122 25.231 30.430 1.00 0.00 H new ATOM 0 HG2 LYS A 63 44.350 27.952 31.033 1.00 0.00 H new ATOM 0 HG3 LYS A 63 44.965 26.420 31.619 1.00 0.00 H new ATOM 0 HD2 LYS A 63 44.748 27.164 28.674 1.00 0.00 H new ATOM 0 HD3 LYS A 63 46.200 27.358 29.635 1.00 0.00 H new ATOM 0 HE2 LYS A 63 44.824 24.697 29.060 1.00 0.00 H new ATOM 0 HE3 LYS A 63 46.246 25.298 28.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 46.945 23.810 29.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 47.370 25.371 30.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 46.019 24.592 31.106 1.00 0.00 H new ATOM 980 N THR A 64 40.681 25.012 29.288 1.00 0.00 N ATOM 981 CA THR A 64 39.555 24.095 29.466 1.00 0.00 C ATOM 982 C THR A 64 39.867 23.061 30.551 1.00 0.00 C ATOM 983 O THR A 64 41.020 22.651 30.707 1.00 0.00 O ATOM 984 CB THR A 64 39.214 23.370 28.155 1.00 0.00 C ATOM 985 OG1 THR A 64 40.338 22.744 27.565 1.00 0.00 O ATOM 986 CG2 THR A 64 38.583 24.285 27.109 1.00 0.00 C ATOM 0 H THR A 64 41.486 24.552 28.862 1.00 0.00 H new ATOM 0 HA THR A 64 38.695 24.691 29.771 1.00 0.00 H new ATOM 0 HB THR A 64 38.489 22.613 28.454 1.00 0.00 H new ATOM 0 HG1 THR A 64 40.066 22.297 26.736 1.00 0.00 H new ATOM 0 HG21 THR A 64 38.366 23.712 26.207 1.00 0.00 H new ATOM 0 HG22 THR A 64 37.657 24.705 27.503 1.00 0.00 H new ATOM 0 HG23 THR A 64 39.274 25.093 26.868 1.00 0.00 H new ATOM 994 N CYS A 65 38.855 22.589 31.285 1.00 0.00 N ATOM 995 CA CYS A 65 39.004 21.620 32.384 1.00 0.00 C ATOM 996 C CYS A 65 39.036 20.143 31.920 1.00 0.00 C ATOM 997 O CYS A 65 38.528 19.241 32.594 1.00 0.00 O ATOM 998 CB CYS A 65 38.024 21.953 33.525 1.00 0.00 C ATOM 999 SG CYS A 65 36.329 22.444 33.097 1.00 0.00 S ATOM 0 H CYS A 65 37.888 22.873 31.132 1.00 0.00 H new ATOM 0 HA CYS A 65 40.002 21.731 32.809 1.00 0.00 H new ATOM 0 HB2 CYS A 65 37.962 21.079 34.174 1.00 0.00 H new ATOM 0 HB3 CYS A 65 38.463 22.758 34.115 1.00 0.00 H new ATOM 1004 N ASN A 66 39.675 19.896 30.773 1.00 0.00 N ATOM 1005 CA ASN A 66 39.913 18.585 30.160 1.00 0.00 C ATOM 1006 C ASN A 66 41.425 18.340 29.992 1.00 0.00 C ATOM 1007 O ASN A 66 42.194 19.275 29.772 1.00 0.00 O ATOM 1008 CB ASN A 66 39.193 18.534 28.798 1.00 0.00 C ATOM 1009 CG ASN A 66 37.683 18.632 28.916 1.00 0.00 C ATOM 1010 OD1 ASN A 66 37.121 19.721 28.904 1.00 0.00 O ATOM 1011 ND2 ASN A 66 36.984 17.529 29.006 1.00 0.00 N ATOM 0 H ASN A 66 40.065 20.654 30.212 1.00 0.00 H new ATOM 0 HA ASN A 66 39.519 17.799 30.804 1.00 0.00 H new ATOM 0 HB2 ASN A 66 39.556 19.349 28.172 1.00 0.00 H new ATOM 0 HB3 ASN A 66 39.452 17.604 28.292 1.00 0.00 H new ATOM 0 HD21 ASN A 66 35.967 17.573 29.067 1.00 0.00 H new ATOM 0 HD22 ASN A 66 37.457 16.625 29.016 1.00 0.00 H new HETATM 1018 N NH2 A 67 41.875 17.096 30.066 1.00 0.00 N TER 1021 NH2 A 67