USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 298 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 34:sc= 0.81 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -2.02 K(o=-2,f=-0.46) USER MOD Single : A 18 LYS NZ :NH3+ -147:sc= 1.08 (180deg=0.431) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.218) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0175 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.41! X(o=-1.4!,f=-1) USER MOD Single : A 33 HIS : no HD1:sc= -1.73 X(o=-1.7,f=-2) USER MOD Single : A 34 THR OG1 : rot -7:sc= 0.0938 USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= -0.0316 (180deg=-0.219) USER MOD Single : A 39 SER OG : rot -59:sc= 0.107 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.488 6.803 -2.103 1.00 0.00 N ATOM 2 CA GLY A 1 31.602 5.658 -2.012 1.00 0.00 C ATOM 3 C GLY A 1 31.312 5.261 -0.578 1.00 0.00 C ATOM 4 O GLY A 1 31.733 4.197 -0.124 1.00 0.00 O ATOM 0 H1 GLY A 1 32.655 7.034 -3.103 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.052 7.618 -1.627 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.394 6.578 -1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.665 5.887 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.050 4.814 -2.536 1.00 0.00 H new ATOM 8 N SER A 2 30.593 6.120 0.139 1.00 0.00 N ATOM 9 CA SER A 2 30.252 5.856 1.532 1.00 0.00 C ATOM 10 C SER A 2 28.802 5.400 1.659 1.00 0.00 C ATOM 11 O SER A 2 28.527 4.288 2.109 1.00 0.00 O ATOM 12 CB SER A 2 30.482 7.107 2.381 1.00 0.00 C ATOM 13 OG SER A 2 30.020 6.916 3.707 1.00 0.00 O ATOM 0 H SER A 2 30.236 7.004 -0.222 1.00 0.00 H new ATOM 0 HA SER A 2 30.899 5.057 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.544 7.351 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.966 7.955 1.931 1.00 0.00 H new ATOM 0 HG SER A 2 30.180 7.729 4.230 1.00 0.00 H new ATOM 19 N SER A 3 27.878 6.267 1.259 1.00 0.00 N ATOM 20 CA SER A 3 26.455 5.957 1.332 1.00 0.00 C ATOM 21 C SER A 3 26.147 4.649 0.610 1.00 0.00 C ATOM 22 O SER A 3 26.904 4.211 -0.256 1.00 0.00 O ATOM 23 CB SER A 3 25.632 7.094 0.724 1.00 0.00 C ATOM 24 OG SER A 3 25.964 7.292 -0.639 1.00 0.00 O ATOM 0 H SER A 3 28.089 7.190 0.881 1.00 0.00 H new ATOM 0 HA SER A 3 26.186 5.845 2.382 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.570 6.866 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.809 8.014 1.282 1.00 0.00 H new ATOM 0 HG SER A 3 25.423 8.023 -1.005 1.00 0.00 H new ATOM 30 N GLY A 4 25.029 4.028 0.974 1.00 0.00 N ATOM 31 CA GLY A 4 24.639 2.776 0.352 1.00 0.00 C ATOM 32 C GLY A 4 23.628 2.008 1.179 1.00 0.00 C ATOM 33 O GLY A 4 23.805 1.833 2.384 1.00 0.00 O ATOM 0 H GLY A 4 24.386 4.370 1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.219 2.979 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.524 2.158 0.200 1.00 0.00 H new ATOM 37 N SER A 5 22.561 1.550 0.531 1.00 0.00 N ATOM 38 CA SER A 5 21.514 0.801 1.215 1.00 0.00 C ATOM 39 C SER A 5 21.346 -0.585 0.600 1.00 0.00 C ATOM 40 O SER A 5 20.939 -0.719 -0.553 1.00 0.00 O ATOM 41 CB SER A 5 20.189 1.563 1.152 1.00 0.00 C ATOM 42 OG SER A 5 19.721 1.662 -0.183 1.00 0.00 O ATOM 0 H SER A 5 22.399 1.685 -0.467 1.00 0.00 H new ATOM 0 HA SER A 5 21.809 0.683 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.444 1.055 1.765 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.320 2.561 1.570 1.00 0.00 H new ATOM 0 HG SER A 5 19.966 0.852 -0.677 1.00 0.00 H new ATOM 48 N SER A 6 21.664 -1.613 1.380 1.00 0.00 N ATOM 49 CA SER A 6 21.553 -2.990 0.912 1.00 0.00 C ATOM 50 C SER A 6 20.220 -3.218 0.206 1.00 0.00 C ATOM 51 O SER A 6 20.177 -3.734 -0.910 1.00 0.00 O ATOM 52 CB SER A 6 21.695 -3.962 2.085 1.00 0.00 C ATOM 53 OG SER A 6 22.961 -3.830 2.708 1.00 0.00 O ATOM 0 H SER A 6 22.000 -1.519 2.338 1.00 0.00 H new ATOM 0 HA SER A 6 22.357 -3.172 0.199 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.907 -3.775 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.565 -4.985 1.731 1.00 0.00 H new ATOM 0 HG SER A 6 23.025 -4.461 3.455 1.00 0.00 H new ATOM 59 N GLY A 7 19.134 -2.829 0.866 1.00 0.00 N ATOM 60 CA GLY A 7 17.814 -2.999 0.288 1.00 0.00 C ATOM 61 C GLY A 7 16.856 -3.707 1.226 1.00 0.00 C ATOM 62 O GLY A 7 16.919 -4.926 1.382 1.00 0.00 O ATOM 0 H GLY A 7 19.145 -2.399 1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.407 -2.022 0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.897 -3.567 -0.638 1.00 0.00 H new ATOM 66 N GLU A 8 15.969 -2.941 1.853 1.00 0.00 N ATOM 67 CA GLU A 8 14.997 -3.503 2.782 1.00 0.00 C ATOM 68 C GLU A 8 13.667 -2.759 2.695 1.00 0.00 C ATOM 69 O GLU A 8 13.588 -1.568 2.997 1.00 0.00 O ATOM 70 CB GLU A 8 15.533 -3.445 4.214 1.00 0.00 C ATOM 71 CG GLU A 8 14.908 -4.473 5.141 1.00 0.00 C ATOM 72 CD GLU A 8 15.119 -5.896 4.661 1.00 0.00 C ATOM 73 OE1 GLU A 8 16.173 -6.164 4.047 1.00 0.00 O ATOM 74 OE2 GLU A 8 14.232 -6.742 4.900 1.00 0.00 O ATOM 0 H GLU A 8 15.904 -1.930 1.734 1.00 0.00 H new ATOM 0 HA GLU A 8 14.830 -4.544 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.613 -3.594 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.356 -2.448 4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.333 -4.363 6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.839 -4.277 5.227 1.00 0.00 H new ATOM 81 N LYS A 9 12.624 -3.470 2.278 1.00 0.00 N ATOM 82 CA LYS A 9 11.297 -2.880 2.151 1.00 0.00 C ATOM 83 C LYS A 9 11.343 -1.616 1.297 1.00 0.00 C ATOM 84 O LYS A 9 10.896 -0.545 1.706 1.00 0.00 O ATOM 85 CB LYS A 9 10.727 -2.553 3.533 1.00 0.00 C ATOM 86 CG LYS A 9 10.641 -3.757 4.455 1.00 0.00 C ATOM 87 CD LYS A 9 10.744 -3.349 5.916 1.00 0.00 C ATOM 88 CE LYS A 9 11.277 -4.485 6.775 1.00 0.00 C ATOM 89 NZ LYS A 9 10.299 -5.602 6.887 1.00 0.00 N ATOM 0 H LYS A 9 12.673 -4.456 2.022 1.00 0.00 H new ATOM 0 HA LYS A 9 10.649 -3.606 1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.348 -1.790 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.732 -2.125 3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.698 -4.278 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.440 -4.458 4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.400 -2.483 6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.763 -3.045 6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.207 -4.858 6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.513 -4.108 7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.700 -6.356 7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.420 -5.252 7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.093 -5.979 5.940 1.00 0.00 H new ATOM 103 N PRO A 10 11.896 -1.742 0.082 1.00 0.00 N ATOM 104 CA PRO A 10 12.012 -0.621 -0.856 1.00 0.00 C ATOM 105 C PRO A 10 10.659 -0.186 -1.408 1.00 0.00 C ATOM 106 O PRO A 10 10.507 0.935 -1.894 1.00 0.00 O ATOM 107 CB PRO A 10 12.891 -1.184 -1.975 1.00 0.00 C ATOM 108 CG PRO A 10 12.677 -2.657 -1.921 1.00 0.00 C ATOM 109 CD PRO A 10 12.450 -2.989 -0.472 1.00 0.00 C ATOM 0 HA PRO A 10 12.424 0.269 -0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 10 12.605 -0.778 -2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.940 -0.931 -1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.820 -2.949 -2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.542 -3.192 -2.313 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.758 -3.823 -0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.378 -3.272 0.025 1.00 0.00 H new ATOM 117 N TYR A 11 9.679 -1.079 -1.331 1.00 0.00 N ATOM 118 CA TYR A 11 8.338 -0.787 -1.826 1.00 0.00 C ATOM 119 C TYR A 11 7.370 -0.553 -0.670 1.00 0.00 C ATOM 120 O TYR A 11 7.579 -1.043 0.439 1.00 0.00 O ATOM 121 CB TYR A 11 7.835 -1.935 -2.703 1.00 0.00 C ATOM 122 CG TYR A 11 8.864 -2.441 -3.688 1.00 0.00 C ATOM 123 CD1 TYR A 11 8.998 -1.860 -4.943 1.00 0.00 C ATOM 124 CD2 TYR A 11 9.703 -3.500 -3.364 1.00 0.00 C ATOM 125 CE1 TYR A 11 9.936 -2.319 -5.847 1.00 0.00 C ATOM 126 CE2 TYR A 11 10.645 -3.965 -4.261 1.00 0.00 C ATOM 127 CZ TYR A 11 10.758 -3.371 -5.501 1.00 0.00 C ATOM 128 OH TYR A 11 11.695 -3.832 -6.397 1.00 0.00 O ATOM 0 H TYR A 11 9.787 -2.011 -0.931 1.00 0.00 H new ATOM 0 HA TYR A 11 8.388 0.123 -2.424 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.521 -2.759 -2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.953 -1.603 -3.251 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.357 -1.035 -5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.617 -3.968 -2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 11 10.025 -1.857 -6.819 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.290 -4.789 -3.993 1.00 0.00 H new ATOM 0 HH TYR A 11 12.192 -4.576 -5.997 1.00 0.00 H new ATOM 138 N GLY A 12 6.308 0.200 -0.939 1.00 0.00 N ATOM 139 CA GLY A 12 5.322 0.487 0.086 1.00 0.00 C ATOM 140 C GLY A 12 4.000 0.948 -0.493 1.00 0.00 C ATOM 141 O GLY A 12 3.929 1.351 -1.655 1.00 0.00 O ATOM 0 H GLY A 12 6.113 0.617 -1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.159 -0.406 0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.710 1.256 0.754 1.00 0.00 H new ATOM 145 N CYS A 13 2.948 0.888 0.316 1.00 0.00 N ATOM 146 CA CYS A 13 1.620 1.300 -0.123 1.00 0.00 C ATOM 147 C CYS A 13 1.243 2.650 0.481 1.00 0.00 C ATOM 148 O CYS A 13 1.049 2.768 1.690 1.00 0.00 O ATOM 149 CB CYS A 13 0.581 0.247 0.267 1.00 0.00 C ATOM 150 SG CYS A 13 -1.061 0.512 -0.476 1.00 0.00 S ATOM 0 H CYS A 13 2.989 0.558 1.280 1.00 0.00 H new ATOM 0 HA CYS A 13 1.638 1.398 -1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.947 -0.736 -0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.480 0.237 1.352 1.00 0.00 H new ATOM 155 N ASN A 14 1.140 3.665 -0.371 1.00 0.00 N ATOM 156 CA ASN A 14 0.786 5.007 0.078 1.00 0.00 C ATOM 157 C ASN A 14 -0.713 5.114 0.343 1.00 0.00 C ATOM 158 O ASN A 14 -1.144 5.841 1.237 1.00 0.00 O ATOM 159 CB ASN A 14 1.206 6.044 -0.966 1.00 0.00 C ATOM 160 CG ASN A 14 0.966 5.566 -2.385 1.00 0.00 C ATOM 161 OD1 ASN A 14 1.909 5.289 -3.126 1.00 0.00 O ATOM 162 ND2 ASN A 14 -0.301 5.466 -2.769 1.00 0.00 N ATOM 0 H ASN A 14 1.297 3.584 -1.376 1.00 0.00 H new ATOM 0 HA ASN A 14 1.317 5.203 1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.653 6.968 -0.799 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.263 6.277 -0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.524 5.149 -3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.051 5.706 -2.121 1.00 0.00 H new ATOM 169 N GLU A 15 -1.501 4.384 -0.440 1.00 0.00 N ATOM 170 CA GLU A 15 -2.951 4.397 -0.290 1.00 0.00 C ATOM 171 C GLU A 15 -3.346 4.296 1.181 1.00 0.00 C ATOM 172 O GLU A 15 -4.235 5.010 1.647 1.00 0.00 O ATOM 173 CB GLU A 15 -3.579 3.246 -1.079 1.00 0.00 C ATOM 174 CG GLU A 15 -3.393 3.366 -2.582 1.00 0.00 C ATOM 175 CD GLU A 15 -3.553 2.038 -3.297 1.00 0.00 C ATOM 176 OE1 GLU A 15 -3.364 0.988 -2.649 1.00 0.00 O ATOM 177 OE2 GLU A 15 -3.868 2.050 -4.505 1.00 0.00 O ATOM 0 H GLU A 15 -1.159 3.776 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.323 5.343 -0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.144 2.305 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.645 3.202 -0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.117 4.078 -2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.402 3.770 -2.791 1.00 0.00 H new ATOM 184 N CYS A 16 -2.681 3.403 1.906 1.00 0.00 N ATOM 185 CA CYS A 16 -2.962 3.206 3.323 1.00 0.00 C ATOM 186 C CYS A 16 -1.732 3.520 4.170 1.00 0.00 C ATOM 187 O CYS A 16 -1.829 4.184 5.202 1.00 0.00 O ATOM 188 CB CYS A 16 -3.417 1.768 3.579 1.00 0.00 C ATOM 189 SG CYS A 16 -2.114 0.520 3.326 1.00 0.00 S ATOM 0 H CYS A 16 -1.943 2.804 1.535 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.762 3.889 3.608 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.785 1.691 4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.256 1.541 2.921 1.00 0.00 H new ATOM 194 N GLY A 17 -0.575 3.039 3.726 1.00 0.00 N ATOM 195 CA GLY A 17 0.657 3.278 4.454 1.00 0.00 C ATOM 196 C GLY A 17 1.321 1.994 4.908 1.00 0.00 C ATOM 197 O GLY A 17 1.846 1.916 6.019 1.00 0.00 O ATOM 0 H GLY A 17 -0.469 2.488 2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.347 3.836 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.447 3.901 5.323 1.00 0.00 H new ATOM 201 N LYS A 18 1.298 0.981 4.048 1.00 0.00 N ATOM 202 CA LYS A 18 1.902 -0.307 4.366 1.00 0.00 C ATOM 203 C LYS A 18 3.288 -0.428 3.740 1.00 0.00 C ATOM 204 O LYS A 18 3.681 0.397 2.915 1.00 0.00 O ATOM 205 CB LYS A 18 1.008 -1.448 3.873 1.00 0.00 C ATOM 206 CG LYS A 18 1.427 -2.814 4.388 1.00 0.00 C ATOM 207 CD LYS A 18 0.252 -3.777 4.435 1.00 0.00 C ATOM 208 CE LYS A 18 0.566 -4.998 5.286 1.00 0.00 C ATOM 209 NZ LYS A 18 1.627 -5.843 4.673 1.00 0.00 N ATOM 0 H LYS A 18 0.867 1.028 3.125 1.00 0.00 H new ATOM 0 HA LYS A 18 2.004 -0.374 5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.019 -1.252 4.180 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.018 -1.461 2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.208 -3.222 3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.855 -2.712 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.622 -3.266 4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.002 -4.093 3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.885 -4.677 6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.339 -5.591 5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.449 -6.842 4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.619 -5.715 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.555 -5.562 5.050 1.00 0.00 H new ATOM 223 N ASP A 19 4.024 -1.460 4.137 1.00 0.00 N ATOM 224 CA ASP A 19 5.365 -1.690 3.613 1.00 0.00 C ATOM 225 C ASP A 19 5.601 -3.175 3.355 1.00 0.00 C ATOM 226 O ASP A 19 5.367 -4.012 4.227 1.00 0.00 O ATOM 227 CB ASP A 19 6.415 -1.156 4.589 1.00 0.00 C ATOM 228 CG ASP A 19 5.938 -1.190 6.028 1.00 0.00 C ATOM 229 OD1 ASP A 19 6.069 -2.252 6.671 1.00 0.00 O ATOM 230 OD2 ASP A 19 5.433 -0.155 6.511 1.00 0.00 O ATOM 0 H ASP A 19 3.714 -2.151 4.820 1.00 0.00 H new ATOM 0 HA ASP A 19 5.455 -1.157 2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.326 -1.747 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.671 -0.132 4.318 1.00 0.00 H new ATOM 235 N PHE A 20 6.064 -3.494 2.151 1.00 0.00 N ATOM 236 CA PHE A 20 6.329 -4.878 1.777 1.00 0.00 C ATOM 237 C PHE A 20 7.786 -5.060 1.362 1.00 0.00 C ATOM 238 O PHE A 20 8.434 -4.119 0.901 1.00 0.00 O ATOM 239 CB PHE A 20 5.405 -5.307 0.635 1.00 0.00 C ATOM 240 CG PHE A 20 3.965 -4.943 0.862 1.00 0.00 C ATOM 241 CD1 PHE A 20 3.535 -3.635 0.710 1.00 0.00 C ATOM 242 CD2 PHE A 20 3.042 -5.910 1.225 1.00 0.00 C ATOM 243 CE1 PHE A 20 2.211 -3.298 0.919 1.00 0.00 C ATOM 244 CE2 PHE A 20 1.716 -5.579 1.435 1.00 0.00 C ATOM 245 CZ PHE A 20 1.300 -4.271 1.280 1.00 0.00 C ATOM 0 H PHE A 20 6.263 -2.813 1.418 1.00 0.00 H new ATOM 0 HA PHE A 20 6.136 -5.506 2.647 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.747 -4.846 -0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.482 -6.386 0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.242 -2.870 0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.362 -6.935 1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.889 -2.274 0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.007 -6.342 1.720 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.264 -4.010 1.441 1.00 0.00 H new ATOM 255 N SER A 21 8.296 -6.276 1.528 1.00 0.00 N ATOM 256 CA SER A 21 9.678 -6.581 1.175 1.00 0.00 C ATOM 257 C SER A 21 9.823 -6.779 -0.331 1.00 0.00 C ATOM 258 O SER A 21 10.741 -6.245 -0.953 1.00 0.00 O ATOM 259 CB SER A 21 10.150 -7.835 1.914 1.00 0.00 C ATOM 260 OG SER A 21 11.361 -8.324 1.364 1.00 0.00 O ATOM 0 H SER A 21 7.773 -7.066 1.905 1.00 0.00 H new ATOM 0 HA SER A 21 10.299 -5.736 1.474 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.292 -7.607 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.382 -8.607 1.855 1.00 0.00 H new ATOM 0 HG SER A 21 11.643 -9.125 1.854 1.00 0.00 H new ATOM 266 N SER A 22 8.909 -7.551 -0.910 1.00 0.00 N ATOM 267 CA SER A 22 8.936 -7.824 -2.342 1.00 0.00 C ATOM 268 C SER A 22 8.006 -6.875 -3.094 1.00 0.00 C ATOM 269 O SER A 22 7.089 -6.296 -2.512 1.00 0.00 O ATOM 270 CB SER A 22 8.532 -9.274 -2.615 1.00 0.00 C ATOM 271 OG SER A 22 9.165 -9.769 -3.782 1.00 0.00 O ATOM 0 H SER A 22 8.141 -7.998 -0.410 1.00 0.00 H new ATOM 0 HA SER A 22 9.954 -7.665 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.799 -9.896 -1.761 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.450 -9.338 -2.730 1.00 0.00 H new ATOM 0 HG SER A 22 8.892 -10.698 -3.933 1.00 0.00 H new ATOM 277 N LYS A 23 8.251 -6.722 -4.391 1.00 0.00 N ATOM 278 CA LYS A 23 7.436 -5.845 -5.224 1.00 0.00 C ATOM 279 C LYS A 23 6.098 -6.498 -5.555 1.00 0.00 C ATOM 280 O LYS A 23 5.059 -5.838 -5.560 1.00 0.00 O ATOM 281 CB LYS A 23 8.180 -5.501 -6.517 1.00 0.00 C ATOM 282 CG LYS A 23 7.422 -4.542 -7.418 1.00 0.00 C ATOM 283 CD LYS A 23 8.005 -4.516 -8.821 1.00 0.00 C ATOM 284 CE LYS A 23 7.749 -3.183 -9.507 1.00 0.00 C ATOM 285 NZ LYS A 23 8.845 -2.208 -9.253 1.00 0.00 N ATOM 0 H LYS A 23 9.007 -7.193 -4.888 1.00 0.00 H new ATOM 0 HA LYS A 23 7.245 -4.929 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.146 -5.063 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.381 -6.421 -7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.374 -4.837 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.453 -3.539 -6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.078 -4.702 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.568 -5.321 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.646 -3.341 -10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.805 -2.768 -9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.451 -1.348 -8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.544 -2.631 -8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.307 -1.963 -10.152 1.00 0.00 H new ATOM 299 N SER A 24 6.130 -7.798 -5.828 1.00 0.00 N ATOM 300 CA SER A 24 4.920 -8.540 -6.161 1.00 0.00 C ATOM 301 C SER A 24 3.920 -8.494 -5.010 1.00 0.00 C ATOM 302 O SER A 24 2.717 -8.344 -5.223 1.00 0.00 O ATOM 303 CB SER A 24 5.262 -9.993 -6.497 1.00 0.00 C ATOM 304 OG SER A 24 5.697 -10.693 -5.345 1.00 0.00 O ATOM 0 H SER A 24 6.981 -8.360 -5.825 1.00 0.00 H new ATOM 0 HA SER A 24 4.465 -8.071 -7.033 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.387 -10.488 -6.918 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.041 -10.020 -7.259 1.00 0.00 H new ATOM 0 HG SER A 24 5.908 -11.619 -5.585 1.00 0.00 H new ATOM 310 N TYR A 25 4.428 -8.625 -3.789 1.00 0.00 N ATOM 311 CA TYR A 25 3.580 -8.601 -2.603 1.00 0.00 C ATOM 312 C TYR A 25 2.821 -7.282 -2.502 1.00 0.00 C ATOM 313 O TYR A 25 1.735 -7.219 -1.923 1.00 0.00 O ATOM 314 CB TYR A 25 4.423 -8.815 -1.344 1.00 0.00 C ATOM 315 CG TYR A 25 4.872 -10.246 -1.152 1.00 0.00 C ATOM 316 CD1 TYR A 25 3.962 -11.294 -1.216 1.00 0.00 C ATOM 317 CD2 TYR A 25 6.205 -10.550 -0.905 1.00 0.00 C ATOM 318 CE1 TYR A 25 4.366 -12.603 -1.040 1.00 0.00 C ATOM 319 CE2 TYR A 25 6.619 -11.856 -0.729 1.00 0.00 C ATOM 320 CZ TYR A 25 5.696 -12.879 -0.798 1.00 0.00 C ATOM 321 OH TYR A 25 6.104 -14.182 -0.622 1.00 0.00 O ATOM 0 H TYR A 25 5.422 -8.749 -3.595 1.00 0.00 H new ATOM 0 HA TYR A 25 2.855 -9.410 -2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.301 -8.171 -1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.846 -8.504 -0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.920 -11.081 -1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.930 -9.751 -0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.645 -13.406 -1.091 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.659 -12.075 -0.538 1.00 0.00 H new ATOM 0 HH TYR A 25 7.071 -14.203 -0.462 1.00 0.00 H new ATOM 331 N LEU A 26 3.400 -6.229 -3.069 1.00 0.00 N ATOM 332 CA LEU A 26 2.779 -4.909 -3.045 1.00 0.00 C ATOM 333 C LEU A 26 1.715 -4.788 -4.131 1.00 0.00 C ATOM 334 O LEU A 26 0.560 -4.468 -3.849 1.00 0.00 O ATOM 335 CB LEU A 26 3.839 -3.822 -3.229 1.00 0.00 C ATOM 336 CG LEU A 26 3.315 -2.419 -3.541 1.00 0.00 C ATOM 337 CD1 LEU A 26 2.396 -1.934 -2.430 1.00 0.00 C ATOM 338 CD2 LEU A 26 4.471 -1.450 -3.741 1.00 0.00 C ATOM 0 H LEU A 26 4.298 -6.264 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 26 2.298 -4.778 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.439 -3.770 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.507 -4.126 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 26 2.741 -2.463 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.033 -0.934 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.550 -2.615 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.946 -1.905 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.079 -0.457 -3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.073 -1.409 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.090 -1.789 -4.571 1.00 0.00 H new ATOM 350 N ILE A 27 2.112 -5.047 -5.372 1.00 0.00 N ATOM 351 CA ILE A 27 1.192 -4.970 -6.500 1.00 0.00 C ATOM 352 C ILE A 27 -0.084 -5.759 -6.224 1.00 0.00 C ATOM 353 O ILE A 27 -1.173 -5.367 -6.643 1.00 0.00 O ATOM 354 CB ILE A 27 1.840 -5.499 -7.793 1.00 0.00 C ATOM 355 CG1 ILE A 27 3.068 -4.661 -8.154 1.00 0.00 C ATOM 356 CG2 ILE A 27 0.832 -5.490 -8.933 1.00 0.00 C ATOM 357 CD1 ILE A 27 3.927 -5.281 -9.233 1.00 0.00 C ATOM 0 H ILE A 27 3.065 -5.312 -5.622 1.00 0.00 H new ATOM 0 HA ILE A 27 0.944 -3.917 -6.633 1.00 0.00 H new ATOM 0 HB ILE A 27 2.161 -6.527 -7.626 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.741 -3.675 -8.483 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.673 -4.514 -7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.305 -5.867 -9.840 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.015 -6.126 -8.675 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.483 -4.471 -9.102 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.779 -4.632 -9.437 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.284 -6.255 -8.899 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.338 -5.403 -10.142 1.00 0.00 H new ATOM 369 N VAL A 28 0.059 -6.874 -5.514 1.00 0.00 N ATOM 370 CA VAL A 28 -1.081 -7.718 -5.178 1.00 0.00 C ATOM 371 C VAL A 28 -1.970 -7.051 -4.134 1.00 0.00 C ATOM 372 O VAL A 28 -3.197 -7.120 -4.213 1.00 0.00 O ATOM 373 CB VAL A 28 -0.627 -9.091 -4.648 1.00 0.00 C ATOM 374 CG1 VAL A 28 -1.809 -9.862 -4.081 1.00 0.00 C ATOM 375 CG2 VAL A 28 0.060 -9.886 -5.749 1.00 0.00 C ATOM 0 H VAL A 28 0.954 -7.213 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.649 -7.862 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 28 0.091 -8.931 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.469 -10.829 -3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.253 -9.296 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.553 -10.014 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.374 -10.853 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.634 -10.037 -6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.932 -9.337 -6.104 1.00 0.00 H new ATOM 385 N HIS A 29 -1.343 -6.406 -3.156 1.00 0.00 N ATOM 386 CA HIS A 29 -2.077 -5.724 -2.096 1.00 0.00 C ATOM 387 C HIS A 29 -2.818 -4.508 -2.643 1.00 0.00 C ATOM 388 O HIS A 29 -4.028 -4.375 -2.461 1.00 0.00 O ATOM 389 CB HIS A 29 -1.123 -5.296 -0.980 1.00 0.00 C ATOM 390 CG HIS A 29 -1.750 -4.378 0.024 1.00 0.00 C ATOM 391 ND1 HIS A 29 -2.418 -4.829 1.142 1.00 0.00 N ATOM 392 CD2 HIS A 29 -1.806 -3.026 0.074 1.00 0.00 C ATOM 393 CE1 HIS A 29 -2.859 -3.795 1.836 1.00 0.00 C ATOM 394 NE2 HIS A 29 -2.501 -2.689 1.209 1.00 0.00 N ATOM 0 H HIS A 29 -0.328 -6.341 -3.075 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.810 -6.421 -1.690 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.755 -6.185 -0.467 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.258 -4.801 -1.422 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.551 -5.808 1.394 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.383 -2.340 -0.645 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.417 -3.845 2.759 1.00 0.00 H new ATOM 402 N GLN A 30 -2.084 -3.625 -3.312 1.00 0.00 N ATOM 403 CA GLN A 30 -2.673 -2.420 -3.883 1.00 0.00 C ATOM 404 C GLN A 30 -4.043 -2.715 -4.484 1.00 0.00 C ATOM 405 O GLN A 30 -4.886 -1.825 -4.599 1.00 0.00 O ATOM 406 CB GLN A 30 -1.750 -1.834 -4.953 1.00 0.00 C ATOM 407 CG GLN A 30 -0.592 -1.029 -4.384 1.00 0.00 C ATOM 408 CD GLN A 30 0.278 -0.415 -5.463 1.00 0.00 C ATOM 409 OE1 GLN A 30 -0.103 -0.371 -6.633 1.00 0.00 O ATOM 410 NE2 GLN A 30 1.454 0.062 -5.074 1.00 0.00 N ATOM 0 H GLN A 30 -1.081 -3.721 -3.472 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.797 -1.692 -3.081 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.352 -2.646 -5.562 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.335 -1.195 -5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.984 -0.238 -3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.019 -1.675 -3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.729 0.004 -4.093 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.083 0.486 -5.756 1.00 0.00 H new ATOM 419 N ARG A 31 -4.259 -3.970 -4.864 1.00 0.00 N ATOM 420 CA ARG A 31 -5.527 -4.382 -5.454 1.00 0.00 C ATOM 421 C ARG A 31 -6.683 -4.124 -4.492 1.00 0.00 C ATOM 422 O ARG A 31 -7.726 -3.601 -4.887 1.00 0.00 O ATOM 423 CB ARG A 31 -5.482 -5.865 -5.828 1.00 0.00 C ATOM 424 CG ARG A 31 -4.432 -6.197 -6.876 1.00 0.00 C ATOM 425 CD ARG A 31 -4.454 -7.674 -7.237 1.00 0.00 C ATOM 426 NE ARG A 31 -3.544 -7.981 -8.337 1.00 0.00 N ATOM 427 CZ ARG A 31 -3.697 -9.022 -9.149 1.00 0.00 C ATOM 428 NH1 ARG A 31 -4.719 -9.850 -8.985 1.00 0.00 N ATOM 429 NH2 ARG A 31 -2.826 -9.235 -10.128 1.00 0.00 N ATOM 0 H ARG A 31 -3.572 -4.719 -4.774 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.688 -3.792 -6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.286 -6.452 -4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.461 -6.168 -6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.608 -5.600 -7.771 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.444 -5.927 -6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.179 -8.265 -6.363 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.468 -7.965 -7.513 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.747 -7.363 -8.491 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.390 -9.689 -8.234 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.834 -10.648 -9.610 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.039 -8.600 -10.257 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.944 -10.034 -10.751 1.00 0.00 H new ATOM 443 N ILE A 32 -6.491 -4.495 -3.231 1.00 0.00 N ATOM 444 CA ILE A 32 -7.518 -4.303 -2.214 1.00 0.00 C ATOM 445 C ILE A 32 -7.988 -2.853 -2.175 1.00 0.00 C ATOM 446 O ILE A 32 -9.018 -2.539 -1.577 1.00 0.00 O ATOM 447 CB ILE A 32 -7.008 -4.704 -0.817 1.00 0.00 C ATOM 448 CG1 ILE A 32 -6.002 -3.673 -0.302 1.00 0.00 C ATOM 449 CG2 ILE A 32 -6.380 -6.089 -0.860 1.00 0.00 C ATOM 450 CD1 ILE A 32 -6.033 -3.498 1.200 1.00 0.00 C ATOM 0 H ILE A 32 -5.634 -4.930 -2.889 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.355 -4.946 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.855 -4.731 -0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.999 -3.974 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.203 -2.712 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.024 -6.358 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.123 -6.815 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.542 -6.087 -1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.294 -2.752 1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.025 -3.167 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.802 -4.448 1.682 1.00 0.00 H new ATOM 462 N HIS A 33 -7.227 -1.972 -2.817 1.00 0.00 N ATOM 463 CA HIS A 33 -7.567 -0.554 -2.857 1.00 0.00 C ATOM 464 C HIS A 33 -8.079 -0.158 -4.238 1.00 0.00 C ATOM 465 O HIS A 33 -8.990 0.662 -4.364 1.00 0.00 O ATOM 466 CB HIS A 33 -6.350 0.294 -2.488 1.00 0.00 C ATOM 467 CG HIS A 33 -5.856 0.059 -1.094 1.00 0.00 C ATOM 468 ND1 HIS A 33 -6.582 0.396 0.029 1.00 0.00 N ATOM 469 CD2 HIS A 33 -4.701 -0.485 -0.644 1.00 0.00 C ATOM 470 CE1 HIS A 33 -5.895 0.071 1.109 1.00 0.00 C ATOM 471 NE2 HIS A 33 -4.750 -0.466 0.728 1.00 0.00 N ATOM 0 H HIS A 33 -6.371 -2.215 -3.316 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.359 -0.374 -2.130 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.544 0.083 -3.191 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.604 1.348 -2.602 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.892 -0.863 -1.251 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.215 0.219 2.130 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.020 -0.811 1.352 1.00 0.00 H new ATOM 479 N THR A 34 -7.488 -0.744 -5.275 1.00 0.00 N ATOM 480 CA THR A 34 -7.882 -0.451 -6.647 1.00 0.00 C ATOM 481 C THR A 34 -9.396 -0.527 -6.812 1.00 0.00 C ATOM 482 O THR A 34 -10.113 -0.902 -5.885 1.00 0.00 O ATOM 483 CB THR A 34 -7.219 -1.422 -7.642 1.00 0.00 C ATOM 484 OG1 THR A 34 -7.470 -2.776 -7.246 1.00 0.00 O ATOM 485 CG2 THR A 34 -5.719 -1.180 -7.716 1.00 0.00 C ATOM 0 H THR A 34 -6.734 -1.425 -5.190 1.00 0.00 H new ATOM 0 HA THR A 34 -7.546 0.563 -6.863 1.00 0.00 H new ATOM 0 HB THR A 34 -7.648 -1.247 -8.628 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.910 -2.785 -6.370 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.272 -1.877 -8.425 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.531 -0.158 -8.045 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.277 -1.331 -6.731 1.00 0.00 H new ATOM 493 N GLY A 35 -9.876 -0.168 -7.999 1.00 0.00 N ATOM 494 CA GLY A 35 -11.302 -0.203 -8.263 1.00 0.00 C ATOM 495 C GLY A 35 -11.621 -0.710 -9.656 1.00 0.00 C ATOM 496 O GLY A 35 -12.536 -1.513 -9.835 1.00 0.00 O ATOM 0 H GLY A 35 -9.303 0.146 -8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.789 -0.842 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.716 0.798 -8.140 1.00 0.00 H new ATOM 500 N GLU A 36 -10.866 -0.239 -10.643 1.00 0.00 N ATOM 501 CA GLU A 36 -11.075 -0.649 -12.027 1.00 0.00 C ATOM 502 C GLU A 36 -12.524 -0.420 -12.448 1.00 0.00 C ATOM 503 O GLU A 36 -13.112 -1.235 -13.160 1.00 0.00 O ATOM 504 CB GLU A 36 -10.708 -2.124 -12.206 1.00 0.00 C ATOM 505 CG GLU A 36 -10.597 -2.551 -13.660 1.00 0.00 C ATOM 506 CD GLU A 36 -10.035 -3.950 -13.816 1.00 0.00 C ATOM 507 OE1 GLU A 36 -9.345 -4.420 -12.888 1.00 0.00 O ATOM 508 OE2 GLU A 36 -10.286 -4.576 -14.868 1.00 0.00 O ATOM 0 H GLU A 36 -10.104 0.426 -10.510 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.429 -0.042 -12.661 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.759 -2.317 -11.706 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.460 -2.739 -11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.582 -2.505 -14.124 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.960 -1.846 -14.194 1.00 0.00 H new ATOM 515 N LYS A 37 -13.094 0.694 -12.004 1.00 0.00 N ATOM 516 CA LYS A 37 -14.473 1.033 -12.334 1.00 0.00 C ATOM 517 C LYS A 37 -15.336 -0.221 -12.420 1.00 0.00 C ATOM 518 O LYS A 37 -16.265 -0.294 -13.226 1.00 0.00 O ATOM 519 CB LYS A 37 -14.529 1.796 -13.659 1.00 0.00 C ATOM 520 CG LYS A 37 -14.171 0.945 -14.866 1.00 0.00 C ATOM 521 CD LYS A 37 -14.320 1.725 -16.162 1.00 0.00 C ATOM 522 CE LYS A 37 -13.030 2.441 -16.533 1.00 0.00 C ATOM 523 NZ LYS A 37 -11.974 1.488 -16.973 1.00 0.00 N ATOM 0 H LYS A 37 -12.622 1.379 -11.414 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.865 1.668 -11.539 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.532 2.200 -13.794 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.848 2.645 -13.609 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.145 0.589 -14.770 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.812 0.064 -14.895 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.605 1.046 -16.966 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.125 2.453 -16.059 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.228 3.157 -17.331 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.671 3.010 -15.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.255 1.997 -17.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.528 1.055 -16.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.401 0.745 -17.562 1.00 0.00 H new ATOM 537 N LEU A 38 -15.026 -1.206 -11.585 1.00 0.00 N ATOM 538 CA LEU A 38 -15.774 -2.458 -11.565 1.00 0.00 C ATOM 539 C LEU A 38 -16.696 -2.523 -10.352 1.00 0.00 C ATOM 540 O LEU A 38 -16.239 -2.668 -9.219 1.00 0.00 O ATOM 541 CB LEU A 38 -14.814 -3.649 -11.554 1.00 0.00 C ATOM 542 CG LEU A 38 -15.363 -4.959 -12.122 1.00 0.00 C ATOM 543 CD1 LEU A 38 -16.669 -5.331 -11.438 1.00 0.00 C ATOM 544 CD2 LEU A 38 -15.560 -4.847 -13.627 1.00 0.00 C ATOM 0 H LEU A 38 -14.261 -1.162 -10.912 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.386 -2.500 -12.466 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.922 -3.377 -12.119 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.498 -3.826 -10.526 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.637 -5.749 -11.929 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.045 -6.265 -11.855 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.498 -5.454 -10.369 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.402 -4.541 -11.600 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.951 -5.788 -14.014 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.266 -4.045 -13.843 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.605 -4.628 -14.104 1.00 0.00 H new ATOM 556 N SER A 39 -17.998 -2.416 -10.599 1.00 0.00 N ATOM 557 CA SER A 39 -18.985 -2.461 -9.526 1.00 0.00 C ATOM 558 C SER A 39 -18.487 -1.706 -8.298 1.00 0.00 C ATOM 559 O SER A 39 -18.591 -2.192 -7.172 1.00 0.00 O ATOM 560 CB SER A 39 -19.301 -3.911 -9.155 1.00 0.00 C ATOM 561 OG SER A 39 -20.481 -3.992 -8.374 1.00 0.00 O ATOM 0 H SER A 39 -18.394 -2.298 -11.532 1.00 0.00 H new ATOM 0 HA SER A 39 -19.895 -1.979 -9.883 1.00 0.00 H new ATOM 0 HB2 SER A 39 -19.420 -4.504 -10.062 1.00 0.00 H new ATOM 0 HB3 SER A 39 -18.465 -4.339 -8.602 1.00 0.00 H new ATOM 0 HG SER A 39 -20.369 -3.464 -7.556 1.00 0.00 H new ATOM 567 N GLY A 40 -17.944 -0.513 -8.523 1.00 0.00 N ATOM 568 CA GLY A 40 -17.437 0.290 -7.426 1.00 0.00 C ATOM 569 C GLY A 40 -17.597 1.777 -7.674 1.00 0.00 C ATOM 570 O GLY A 40 -18.684 2.338 -7.536 1.00 0.00 O ATOM 0 H GLY A 40 -17.846 -0.089 -9.445 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.961 0.019 -6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.383 0.062 -7.270 1.00 0.00 H new ATOM 574 N PRO A 41 -16.493 2.440 -8.047 1.00 0.00 N ATOM 575 CA PRO A 41 -16.489 3.880 -8.322 1.00 0.00 C ATOM 576 C PRO A 41 -17.249 4.229 -9.597 1.00 0.00 C ATOM 577 O PRO A 41 -16.788 3.947 -10.703 1.00 0.00 O ATOM 578 CB PRO A 41 -15.002 4.208 -8.479 1.00 0.00 C ATOM 579 CG PRO A 41 -14.375 2.925 -8.904 1.00 0.00 C ATOM 580 CD PRO A 41 -15.163 1.836 -8.231 1.00 0.00 C ATOM 0 HA PRO A 41 -16.983 4.446 -7.533 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.845 4.990 -9.221 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.575 4.567 -7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.406 2.816 -9.988 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.326 2.887 -8.609 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -15.212 0.937 -8.845 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -14.718 1.548 -7.279 1.00 0.00 H new ATOM 588 N SER A 42 -18.416 4.845 -9.436 1.00 0.00 N ATOM 589 CA SER A 42 -19.241 5.230 -10.574 1.00 0.00 C ATOM 590 C SER A 42 -18.709 6.503 -11.226 1.00 0.00 C ATOM 591 O SER A 42 -18.367 6.512 -12.408 1.00 0.00 O ATOM 592 CB SER A 42 -20.691 5.438 -10.133 1.00 0.00 C ATOM 593 OG SER A 42 -21.442 6.091 -11.142 1.00 0.00 O ATOM 0 H SER A 42 -18.811 5.088 -8.528 1.00 0.00 H new ATOM 0 HA SER A 42 -19.203 4.424 -11.307 1.00 0.00 H new ATOM 0 HB2 SER A 42 -21.146 4.475 -9.902 1.00 0.00 H new ATOM 0 HB3 SER A 42 -20.715 6.029 -9.217 1.00 0.00 H new ATOM 0 HG SER A 42 -22.365 6.211 -10.837 1.00 0.00 H new ATOM 599 N SER A 43 -18.641 7.576 -10.445 1.00 0.00 N ATOM 600 CA SER A 43 -18.154 8.856 -10.945 1.00 0.00 C ATOM 601 C SER A 43 -16.784 8.699 -11.597 1.00 0.00 C ATOM 602 O SER A 43 -16.553 9.179 -12.706 1.00 0.00 O ATOM 603 CB SER A 43 -18.076 9.876 -9.808 1.00 0.00 C ATOM 604 OG SER A 43 -19.371 10.256 -9.374 1.00 0.00 O ATOM 0 H SER A 43 -18.917 7.584 -9.463 1.00 0.00 H new ATOM 0 HA SER A 43 -18.856 9.215 -11.697 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.519 9.452 -8.973 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.528 10.757 -10.142 1.00 0.00 H new ATOM 0 HG SER A 43 -19.294 10.907 -8.646 1.00 0.00 H new ATOM 610 N GLY A 44 -15.877 8.023 -10.898 1.00 0.00 N ATOM 611 CA GLY A 44 -14.540 7.814 -11.423 1.00 0.00 C ATOM 612 C GLY A 44 -13.480 8.533 -10.614 1.00 0.00 C ATOM 613 O GLY A 44 -13.219 9.706 -10.876 1.00 0.00 O ATOM 0 H GLY A 44 -16.044 7.616 -9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.321 6.746 -11.435 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.501 8.160 -12.456 1.00 0.00 H new TER 617 GLY A 44 HETATM 618 ZN ZN A 201 -2.471 -0.360 1.199 1.00 0.00 ZN