USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 THR OG1 : rot -54:sc= 1.11 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0 X(o=1.1,f=1.1) USER MOD Set 2.1: A 35 GLN : amide:sc= 0.0556 X(o=0.11,f=0.0099) USER MOD Set 2.2: A 36 SER OG : rot 180:sc= 0.0582 USER MOD Single : A 1 LYS N :NH3+ -157:sc= 1.25 (180deg=1.14) USER MOD Single : A 1 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.12) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot -79:sc= 1.23 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0482 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0461) USER MOD Single : A 22 ASN : amide:sc= 0.202 K(o=0.2,f=-2.2!) USER MOD Single : A 24 TYR OH : rot -116:sc= 0.257 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 28:sc= 0.133 USER MOD Single : A 38 HIS : no HD1:sc=-0.00656 X(o=-0.0066,f=0) USER MOD Single : A 40 TYR OH : rot -72:sc= 0.116 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 62 ASN : amide:sc= 0.178 K(o=0.18,f=-3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 13.191 31.077 32.602 1.00 0.00 N ATOM 2 CA LYS A 1 14.391 31.888 32.898 1.00 0.00 C ATOM 3 C LYS A 1 15.044 32.385 31.614 1.00 0.00 C ATOM 4 O LYS A 1 15.005 31.709 30.592 1.00 0.00 O ATOM 5 CB LYS A 1 15.424 31.123 33.750 1.00 0.00 C ATOM 6 CG LYS A 1 14.991 30.983 35.215 1.00 0.00 C ATOM 7 CD LYS A 1 16.093 30.346 36.074 1.00 0.00 C ATOM 8 CE LYS A 1 15.659 30.365 37.543 1.00 0.00 C ATOM 9 NZ LYS A 1 16.621 29.661 38.419 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 12.559 31.077 33.428 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.692 31.482 31.784 1.00 0.00 H new ATOM 0 H3 LYS A 1 13.477 30.101 32.385 1.00 0.00 H new ATOM 0 HA LYS A 1 14.050 32.743 33.482 1.00 0.00 H new ATOM 0 HB2 LYS A 1 15.578 30.132 33.324 1.00 0.00 H new ATOM 0 HB3 LYS A 1 16.382 31.642 33.706 1.00 0.00 H new ATOM 0 HG2 LYS A 1 14.739 31.965 35.616 1.00 0.00 H new ATOM 0 HG3 LYS A 1 14.088 30.375 35.271 1.00 0.00 H new ATOM 0 HD2 LYS A 1 16.277 29.322 35.750 1.00 0.00 H new ATOM 0 HD3 LYS A 1 17.028 30.892 35.951 1.00 0.00 H new ATOM 0 HE2 LYS A 1 15.555 31.398 37.876 1.00 0.00 H new ATOM 0 HE3 LYS A 1 14.678 29.900 37.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 16.412 29.883 39.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 16.541 28.635 38.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 17.588 29.970 38.192 1.00 0.00 H new ATOM 25 N GLU A 2 15.708 33.536 31.673 1.00 0.00 N ATOM 26 CA GLU A 2 16.549 34.093 30.599 1.00 0.00 C ATOM 27 C GLU A 2 17.943 34.475 31.143 1.00 0.00 C ATOM 28 O GLU A 2 18.122 34.660 32.355 1.00 0.00 O ATOM 29 CB GLU A 2 15.898 35.310 29.896 1.00 0.00 C ATOM 30 CG GLU A 2 14.458 35.687 30.269 1.00 0.00 C ATOM 31 CD GLU A 2 13.361 34.745 29.765 1.00 0.00 C ATOM 32 OE1 GLU A 2 12.332 34.644 30.477 1.00 0.00 O ATOM 33 OE2 GLU A 2 13.449 34.168 28.656 1.00 0.00 O1- ATOM 0 H GLU A 2 15.679 34.135 32.498 1.00 0.00 H new ATOM 0 HA GLU A 2 16.655 33.309 29.849 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.528 36.179 30.086 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.925 35.126 28.822 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.389 35.743 31.355 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.255 36.686 29.884 1.00 0.00 H new ATOM 40 N GLY A 3 18.945 34.620 30.270 1.00 0.00 N ATOM 41 CA GLY A 3 20.294 35.043 30.671 1.00 0.00 C ATOM 42 C GLY A 3 21.319 35.009 29.538 1.00 0.00 C ATOM 43 O GLY A 3 21.027 34.538 28.439 1.00 0.00 O ATOM 0 H GLY A 3 18.846 34.449 29.269 1.00 0.00 H new ATOM 0 HA2 GLY A 3 20.242 36.056 31.070 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.640 34.399 31.480 1.00 0.00 H new ATOM 47 N TYR A 4 22.530 35.514 29.794 1.00 0.00 N ATOM 48 CA TYR A 4 23.628 35.470 28.823 1.00 0.00 C ATOM 49 C TYR A 4 24.261 34.084 28.679 1.00 0.00 C ATOM 50 O TYR A 4 24.352 33.315 29.633 1.00 0.00 O ATOM 51 CB TYR A 4 24.680 36.550 29.116 1.00 0.00 C ATOM 52 CG TYR A 4 24.983 36.839 30.573 1.00 0.00 C ATOM 53 CD1 TYR A 4 24.621 38.092 31.105 1.00 0.00 C ATOM 54 CD2 TYR A 4 25.628 35.886 31.388 1.00 0.00 C ATOM 55 CE1 TYR A 4 24.907 38.395 32.444 1.00 0.00 C ATOM 56 CE2 TYR A 4 25.918 36.193 32.733 1.00 0.00 C ATOM 57 CZ TYR A 4 25.564 37.453 33.259 1.00 0.00 C ATOM 58 OH TYR A 4 25.858 37.779 34.543 1.00 0.00 O ATOM 0 H TYR A 4 22.776 35.963 30.676 1.00 0.00 H new ATOM 0 HA TYR A 4 23.181 35.690 27.854 1.00 0.00 H new ATOM 0 HB2 TYR A 4 25.610 36.258 28.628 1.00 0.00 H new ATOM 0 HB3 TYR A 4 24.352 37.478 28.648 1.00 0.00 H new ATOM 0 HD1 TYR A 4 24.123 38.820 30.481 1.00 0.00 H new ATOM 0 HD2 TYR A 4 25.899 34.923 30.982 1.00 0.00 H new ATOM 0 HE1 TYR A 4 24.622 39.354 32.852 1.00 0.00 H new ATOM 0 HE2 TYR A 4 26.411 35.464 33.360 1.00 0.00 H new ATOM 0 HH TYR A 4 26.310 37.025 34.977 1.00 0.00 H new ATOM 68 N LEU A 5 24.743 33.788 27.469 1.00 0.00 N ATOM 69 CA LEU A 5 25.548 32.601 27.179 1.00 0.00 C ATOM 70 C LEU A 5 26.995 32.782 27.684 1.00 0.00 C ATOM 71 O LEU A 5 27.547 33.882 27.613 1.00 0.00 O ATOM 72 CB LEU A 5 25.444 32.318 25.667 1.00 0.00 C ATOM 73 CG LEU A 5 26.086 31.005 25.182 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.465 29.763 25.827 1.00 0.00 C ATOM 75 CD2 LEU A 5 25.876 30.896 23.674 1.00 0.00 C ATOM 0 H LEU A 5 24.582 34.376 26.651 1.00 0.00 H new ATOM 0 HA LEU A 5 25.173 31.728 27.713 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.390 32.308 25.391 1.00 0.00 H new ATOM 0 HB3 LEU A 5 25.906 33.146 25.130 1.00 0.00 H new ATOM 0 HG LEU A 5 27.140 31.038 25.458 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.959 28.869 25.446 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.591 29.813 26.909 1.00 0.00 H new ATOM 0 HD13 LEU A 5 24.403 29.721 25.587 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.324 29.971 23.310 1.00 0.00 H new ATOM 0 HD22 LEU A 5 24.808 30.893 23.455 1.00 0.00 H new ATOM 0 HD23 LEU A 5 26.345 31.746 23.179 1.00 0.00 H new ATOM 87 N VAL A 6 27.608 31.705 28.182 1.00 0.00 N ATOM 88 CA VAL A 6 28.904 31.711 28.888 1.00 0.00 C ATOM 89 C VAL A 6 29.816 30.581 28.397 1.00 0.00 C ATOM 90 O VAL A 6 29.331 29.560 27.902 1.00 0.00 O ATOM 91 CB VAL A 6 28.661 31.670 30.418 1.00 0.00 C ATOM 92 CG1 VAL A 6 28.166 30.300 30.904 1.00 0.00 C ATOM 93 CG2 VAL A 6 29.893 32.055 31.244 1.00 0.00 C ATOM 0 H VAL A 6 27.207 30.770 28.105 1.00 0.00 H new ATOM 0 HA VAL A 6 29.434 32.636 28.661 1.00 0.00 H new ATOM 0 HB VAL A 6 27.884 32.418 30.578 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.013 30.330 31.983 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.225 30.057 30.411 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.908 29.539 30.664 1.00 0.00 H new ATOM 0 HG21 VAL A 6 29.650 32.004 32.305 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.708 31.365 31.025 1.00 0.00 H new ATOM 0 HG23 VAL A 6 30.199 33.070 30.990 1.00 0.00 H new ATOM 103 N ASP A 7 31.131 30.753 28.504 1.00 0.00 N ATOM 104 CA ASP A 7 32.126 29.697 28.274 1.00 0.00 C ATOM 105 C ASP A 7 31.951 28.491 29.235 1.00 0.00 C ATOM 106 O ASP A 7 31.341 28.601 30.296 1.00 0.00 O ATOM 107 CB ASP A 7 33.517 30.344 28.378 1.00 0.00 C ATOM 108 CG ASP A 7 34.686 29.389 28.129 1.00 0.00 C ATOM 109 OD1 ASP A 7 35.781 29.647 28.681 1.00 0.00 O ATOM 110 OD2 ASP A 7 34.531 28.388 27.395 1.00 0.00 O1- ATOM 0 H ASP A 7 31.549 31.648 28.758 1.00 0.00 H new ATOM 0 HA ASP A 7 31.991 29.270 27.280 1.00 0.00 H new ATOM 0 HB2 ASP A 7 33.576 31.164 27.662 1.00 0.00 H new ATOM 0 HB3 ASP A 7 33.627 30.780 29.371 1.00 0.00 H new ATOM 115 N TYR A 8 32.457 27.314 28.850 1.00 0.00 N ATOM 116 CA TYR A 8 32.404 26.078 29.642 1.00 0.00 C ATOM 117 C TYR A 8 33.650 25.837 30.521 1.00 0.00 C ATOM 118 O TYR A 8 33.623 24.946 31.377 1.00 0.00 O ATOM 119 CB TYR A 8 32.117 24.886 28.713 1.00 0.00 C ATOM 120 CG TYR A 8 33.304 24.362 27.921 1.00 0.00 C ATOM 121 CD1 TYR A 8 33.667 24.963 26.701 1.00 0.00 C ATOM 122 CD2 TYR A 8 34.030 23.251 28.397 1.00 0.00 C ATOM 123 CE1 TYR A 8 34.748 24.451 25.956 1.00 0.00 C ATOM 124 CE2 TYR A 8 35.116 22.743 27.658 1.00 0.00 C ATOM 125 CZ TYR A 8 35.479 23.340 26.434 1.00 0.00 C ATOM 126 OH TYR A 8 36.543 22.850 25.737 1.00 0.00 O ATOM 0 H TYR A 8 32.928 27.191 27.954 1.00 0.00 H new ATOM 0 HA TYR A 8 31.587 26.189 30.355 1.00 0.00 H new ATOM 0 HB2 TYR A 8 31.717 24.070 29.314 1.00 0.00 H new ATOM 0 HB3 TYR A 8 31.336 25.177 28.011 1.00 0.00 H new ATOM 0 HD1 TYR A 8 33.117 25.817 26.336 1.00 0.00 H new ATOM 0 HD2 TYR A 8 33.752 22.788 29.332 1.00 0.00 H new ATOM 0 HE1 TYR A 8 35.019 24.909 25.016 1.00 0.00 H new ATOM 0 HE2 TYR A 8 35.671 21.895 28.030 1.00 0.00 H new ATOM 0 HH TYR A 8 36.924 22.086 26.217 1.00 0.00 H new ATOM 136 N HIS A 9 34.731 26.610 30.333 1.00 0.00 N ATOM 137 CA HIS A 9 35.962 26.548 31.146 1.00 0.00 C ATOM 138 C HIS A 9 36.187 27.797 32.010 1.00 0.00 C ATOM 139 O HIS A 9 36.513 27.680 33.189 1.00 0.00 O ATOM 140 CB HIS A 9 37.159 26.279 30.219 1.00 0.00 C ATOM 141 CG HIS A 9 38.475 26.172 30.954 1.00 0.00 C ATOM 142 ND1 HIS A 9 38.846 25.121 31.798 1.00 0.00 N ATOM 143 CD2 HIS A 9 39.496 27.075 30.910 1.00 0.00 C ATOM 144 CE1 HIS A 9 40.068 25.431 32.263 1.00 0.00 C ATOM 145 NE2 HIS A 9 40.483 26.598 31.743 1.00 0.00 N ATOM 0 H HIS A 9 34.777 27.313 29.595 1.00 0.00 H new ATOM 0 HA HIS A 9 35.852 25.729 31.857 1.00 0.00 H new ATOM 0 HB2 HIS A 9 36.982 25.355 29.669 1.00 0.00 H new ATOM 0 HB3 HIS A 9 37.226 27.080 29.483 1.00 0.00 H new ATOM 0 HD2 HIS A 9 39.525 27.988 30.333 1.00 0.00 H new ATOM 0 HE1 HIS A 9 40.636 24.828 32.956 1.00 0.00 H new ATOM 0 HE2 HIS A 9 41.376 27.053 31.933 1.00 0.00 H new ATOM 153 N THR A 10 36.000 28.993 31.449 1.00 0.00 N ATOM 154 CA THR A 10 36.202 30.280 32.139 1.00 0.00 C ATOM 155 C THR A 10 34.882 30.989 32.466 1.00 0.00 C ATOM 156 O THR A 10 33.841 30.700 31.886 1.00 0.00 O ATOM 157 CB THR A 10 37.114 31.220 31.329 1.00 0.00 C ATOM 158 OG1 THR A 10 36.472 31.708 30.173 1.00 0.00 O ATOM 159 CG2 THR A 10 38.418 30.573 30.873 1.00 0.00 C ATOM 0 H THR A 10 35.697 29.102 30.481 1.00 0.00 H new ATOM 0 HA THR A 10 36.692 30.039 33.082 1.00 0.00 H new ATOM 0 HB THR A 10 37.340 32.028 32.025 1.00 0.00 H new ATOM 0 HG1 THR A 10 36.493 31.022 29.473 1.00 0.00 H new ATOM 0 HG21 THR A 10 39.006 31.297 30.309 1.00 0.00 H new ATOM 0 HG22 THR A 10 38.985 30.245 31.744 1.00 0.00 H new ATOM 0 HG23 THR A 10 38.196 29.714 30.240 1.00 0.00 H new ATOM 167 N GLY A 11 34.913 31.966 33.375 1.00 0.00 N ATOM 168 CA GLY A 11 33.758 32.805 33.724 1.00 0.00 C ATOM 169 C GLY A 11 33.332 33.843 32.669 1.00 0.00 C ATOM 170 O GLY A 11 32.536 34.729 32.979 1.00 0.00 O ATOM 0 H GLY A 11 35.755 32.203 33.900 1.00 0.00 H new ATOM 0 HA2 GLY A 11 32.909 32.153 33.926 1.00 0.00 H new ATOM 0 HA3 GLY A 11 33.984 33.331 34.652 1.00 0.00 H new ATOM 174 N CYS A 12 33.881 33.795 31.454 1.00 0.00 N ATOM 175 CA CYS A 12 33.663 34.787 30.401 1.00 0.00 C ATOM 176 C CYS A 12 32.310 34.603 29.686 1.00 0.00 C ATOM 177 O CYS A 12 32.042 33.553 29.094 1.00 0.00 O ATOM 178 CB CYS A 12 34.818 34.686 29.397 1.00 0.00 C ATOM 179 SG CYS A 12 36.356 35.542 29.850 1.00 0.00 S ATOM 0 H CYS A 12 34.508 33.043 31.168 1.00 0.00 H new ATOM 0 HA CYS A 12 33.635 35.776 30.858 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.046 33.631 29.243 1.00 0.00 H new ATOM 0 HB3 CYS A 12 34.475 35.081 28.441 1.00 0.00 H new ATOM 0 HG CYS A 12 37.241 35.369 28.913 1.00 0.00 H new ATOM 184 N LYS A 13 31.465 35.644 29.679 1.00 0.00 N ATOM 185 CA LYS A 13 30.255 35.725 28.848 1.00 0.00 C ATOM 186 C LYS A 13 30.593 35.813 27.351 1.00 0.00 C ATOM 187 O LYS A 13 31.698 36.220 26.982 1.00 0.00 O ATOM 188 CB LYS A 13 29.448 36.936 29.329 1.00 0.00 C ATOM 189 CG LYS A 13 30.232 38.256 29.173 1.00 0.00 C ATOM 190 CD LYS A 13 29.579 39.402 29.932 1.00 0.00 C ATOM 191 CE LYS A 13 29.751 39.291 31.451 1.00 0.00 C ATOM 192 NZ LYS A 13 29.125 40.438 32.143 1.00 0.00 N1+ ATOM 0 H LYS A 13 31.606 36.469 30.262 1.00 0.00 H new ATOM 0 HA LYS A 13 29.663 34.816 28.957 1.00 0.00 H new ATOM 0 HB2 LYS A 13 28.518 36.999 28.764 1.00 0.00 H new ATOM 0 HB3 LYS A 13 29.177 36.798 30.376 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.251 38.117 29.534 1.00 0.00 H new ATOM 0 HG3 LYS A 13 30.300 38.514 28.116 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.006 40.345 29.592 1.00 0.00 H new ATOM 0 HD3 LYS A 13 28.516 39.429 29.694 1.00 0.00 H new ATOM 0 HE2 LYS A 13 29.304 38.362 31.804 1.00 0.00 H new ATOM 0 HE3 LYS A 13 30.812 39.248 31.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 29.256 40.338 33.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 29.569 41.322 31.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.108 40.462 31.925 1.00 0.00 H new ATOM 206 N TYR A 14 29.645 35.465 26.486 1.00 0.00 N ATOM 207 CA TYR A 14 29.765 35.619 25.029 1.00 0.00 C ATOM 208 C TYR A 14 29.566 37.089 24.618 1.00 0.00 C ATOM 209 O TYR A 14 28.451 37.610 24.722 1.00 0.00 O ATOM 210 CB TYR A 14 28.736 34.721 24.320 1.00 0.00 C ATOM 211 CG TYR A 14 29.157 33.282 24.072 1.00 0.00 C ATOM 212 CD1 TYR A 14 29.783 32.513 25.075 1.00 0.00 C ATOM 213 CD2 TYR A 14 28.922 32.713 22.805 1.00 0.00 C ATOM 214 CE1 TYR A 14 30.177 31.189 24.807 1.00 0.00 C ATOM 215 CE2 TYR A 14 29.303 31.385 22.539 1.00 0.00 C ATOM 216 CZ TYR A 14 29.928 30.618 23.543 1.00 0.00 C ATOM 217 OH TYR A 14 30.306 29.337 23.297 1.00 0.00 O ATOM 0 H TYR A 14 28.755 35.061 26.777 1.00 0.00 H new ATOM 0 HA TYR A 14 30.768 35.315 24.729 1.00 0.00 H new ATOM 0 HB2 TYR A 14 27.822 34.713 24.914 1.00 0.00 H new ATOM 0 HB3 TYR A 14 28.489 35.175 23.361 1.00 0.00 H new ATOM 0 HD1 TYR A 14 29.960 32.941 26.051 1.00 0.00 H new ATOM 0 HD2 TYR A 14 28.446 33.300 22.033 1.00 0.00 H new ATOM 0 HE1 TYR A 14 30.672 30.609 25.572 1.00 0.00 H new ATOM 0 HE2 TYR A 14 29.117 30.954 21.567 1.00 0.00 H new ATOM 0 HH TYR A 14 30.061 29.094 22.380 1.00 0.00 H new ATOM 227 N THR A 15 30.615 37.755 24.126 1.00 0.00 N ATOM 228 CA THR A 15 30.543 39.139 23.610 1.00 0.00 C ATOM 229 C THR A 15 30.023 39.203 22.162 1.00 0.00 C ATOM 230 O THR A 15 30.331 38.327 21.348 1.00 0.00 O ATOM 231 CB THR A 15 31.898 39.866 23.736 1.00 0.00 C ATOM 232 OG1 THR A 15 32.945 39.168 23.093 1.00 0.00 O ATOM 233 CG2 THR A 15 32.310 40.034 25.198 1.00 0.00 C ATOM 0 H THR A 15 31.550 37.351 24.071 1.00 0.00 H new ATOM 0 HA THR A 15 29.819 39.659 24.237 1.00 0.00 H new ATOM 0 HB THR A 15 31.748 40.835 23.260 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.783 39.666 23.197 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.269 40.550 25.249 1.00 0.00 H new ATOM 0 HG22 THR A 15 31.555 40.619 25.724 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.400 39.054 25.666 1.00 0.00 H new ATOM 241 N CYS A 16 29.275 40.260 21.828 1.00 0.00 N ATOM 242 CA CYS A 16 28.798 40.593 20.476 1.00 0.00 C ATOM 243 C CYS A 16 29.434 41.901 19.967 1.00 0.00 C ATOM 244 O CYS A 16 29.852 42.738 20.775 1.00 0.00 O ATOM 245 CB CYS A 16 27.268 40.738 20.465 1.00 0.00 C ATOM 246 SG CYS A 16 26.278 39.314 20.998 1.00 0.00 S ATOM 0 H CYS A 16 28.970 40.940 22.524 1.00 0.00 H new ATOM 0 HA CYS A 16 29.092 39.778 19.815 1.00 0.00 H new ATOM 0 HB2 CYS A 16 27.007 41.584 21.101 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.964 40.996 19.451 1.00 0.00 H new ATOM 251 N ALA A 17 29.471 42.119 18.646 1.00 0.00 N ATOM 252 CA ALA A 17 30.015 43.345 18.043 1.00 0.00 C ATOM 253 C ALA A 17 28.961 44.446 17.797 1.00 0.00 C ATOM 254 O ALA A 17 29.277 45.629 17.950 1.00 0.00 O ATOM 255 CB ALA A 17 30.747 42.968 16.753 1.00 0.00 C ATOM 0 H ALA A 17 29.123 41.447 17.962 1.00 0.00 H new ATOM 0 HA ALA A 17 30.708 43.788 18.758 1.00 0.00 H new ATOM 0 HB1 ALA A 17 31.157 43.866 16.292 1.00 0.00 H new ATOM 0 HB2 ALA A 17 31.557 42.276 16.983 1.00 0.00 H new ATOM 0 HB3 ALA A 17 30.049 42.493 16.064 1.00 0.00 H new ATOM 261 N LYS A 18 27.716 44.077 17.452 1.00 0.00 N ATOM 262 CA LYS A 18 26.566 44.992 17.299 1.00 0.00 C ATOM 263 C LYS A 18 25.237 44.350 17.695 1.00 0.00 C ATOM 264 O LYS A 18 25.082 43.130 17.660 1.00 0.00 O ATOM 265 CB LYS A 18 26.406 45.474 15.840 1.00 0.00 C ATOM 266 CG LYS A 18 27.600 46.237 15.263 1.00 0.00 C ATOM 267 CD LYS A 18 27.189 47.026 14.008 1.00 0.00 C ATOM 268 CE LYS A 18 28.375 47.546 13.184 1.00 0.00 C ATOM 269 NZ LYS A 18 29.377 48.261 14.007 1.00 0.00 N1+ ATOM 0 H LYS A 18 27.472 43.104 17.266 1.00 0.00 H new ATOM 0 HA LYS A 18 26.789 45.825 17.965 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.212 44.607 15.209 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.526 46.114 15.782 1.00 0.00 H new ATOM 0 HG2 LYS A 18 27.998 46.920 16.013 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.398 45.538 15.013 1.00 0.00 H new ATOM 0 HD2 LYS A 18 26.572 46.388 13.376 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.570 47.871 14.309 1.00 0.00 H new ATOM 0 HE2 LYS A 18 28.857 46.708 12.680 1.00 0.00 H new ATOM 0 HE3 LYS A 18 28.006 48.215 12.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 30.111 48.663 13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 28.911 49.027 14.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 29.814 47.596 14.677 1.00 0.00 H new ATOM 283 N LEU A 19 24.249 45.186 18.009 1.00 0.00 N ATOM 284 CA LEU A 19 22.851 44.754 18.104 1.00 0.00 C ATOM 285 C LEU A 19 22.349 44.339 16.699 1.00 0.00 C ATOM 286 O LEU A 19 22.878 44.801 15.682 1.00 0.00 O ATOM 287 CB LEU A 19 21.979 45.882 18.689 1.00 0.00 C ATOM 288 CG LEU A 19 22.397 46.394 20.081 1.00 0.00 C ATOM 289 CD1 LEU A 19 21.435 47.490 20.532 1.00 0.00 C ATOM 290 CD2 LEU A 19 22.384 45.292 21.141 1.00 0.00 C ATOM 0 H LEU A 19 24.391 46.177 18.204 1.00 0.00 H new ATOM 0 HA LEU A 19 22.779 43.897 18.773 1.00 0.00 H new ATOM 0 HB2 LEU A 19 21.990 46.722 17.995 1.00 0.00 H new ATOM 0 HB3 LEU A 19 20.950 45.528 18.746 1.00 0.00 H new ATOM 0 HG LEU A 19 23.416 46.769 19.985 1.00 0.00 H new ATOM 0 HD11 LEU A 19 21.731 47.852 21.517 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.463 48.314 19.819 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.423 47.088 20.583 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.686 45.708 22.102 1.00 0.00 H new ATOM 0 HD22 LEU A 19 21.379 44.879 21.224 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.078 44.502 20.853 1.00 0.00 H new ATOM 302 N GLY A 20 21.334 43.479 16.609 1.00 0.00 N ATOM 303 CA GLY A 20 20.720 43.066 15.334 1.00 0.00 C ATOM 304 C GLY A 20 21.488 41.990 14.545 1.00 0.00 C ATOM 305 O GLY A 20 21.041 41.558 13.481 1.00 0.00 O ATOM 0 H GLY A 20 20.906 43.041 17.425 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.716 42.694 15.538 1.00 0.00 H new ATOM 0 HA3 GLY A 20 20.611 43.947 14.701 1.00 0.00 H new ATOM 309 N ASP A 21 22.628 41.522 15.061 1.00 0.00 N ATOM 310 CA ASP A 21 23.353 40.330 14.580 1.00 0.00 C ATOM 311 C ASP A 21 22.883 39.052 15.321 1.00 0.00 C ATOM 312 O ASP A 21 23.634 38.089 15.508 1.00 0.00 O ATOM 313 CB ASP A 21 24.872 40.573 14.674 1.00 0.00 C ATOM 314 CG ASP A 21 25.410 41.615 13.684 1.00 0.00 C ATOM 315 OD1 ASP A 21 24.706 41.974 12.704 1.00 0.00 O ATOM 316 OD2 ASP A 21 26.589 42.014 13.819 1.00 0.00 O1- ATOM 0 H ASP A 21 23.091 41.973 15.850 1.00 0.00 H new ATOM 0 HA ASP A 21 23.121 40.159 13.529 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.114 40.893 15.687 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.390 39.629 14.506 1.00 0.00 H new ATOM 321 N ASN A 22 21.617 39.061 15.755 1.00 0.00 N ATOM 322 CA ASN A 22 20.967 38.136 16.680 1.00 0.00 C ATOM 323 C ASN A 22 21.088 36.648 16.333 1.00 0.00 C ATOM 324 O ASN A 22 21.131 35.836 17.258 1.00 0.00 O ATOM 325 CB ASN A 22 19.485 38.554 16.825 1.00 0.00 C ATOM 326 CG ASN A 22 18.785 38.799 15.496 1.00 0.00 C ATOM 327 OD1 ASN A 22 18.969 39.830 14.866 1.00 0.00 O ATOM 328 ND2 ASN A 22 17.990 37.877 15.012 1.00 0.00 N ATOM 0 H ASN A 22 20.968 39.781 15.438 1.00 0.00 H new ATOM 0 HA ASN A 22 21.503 38.219 17.625 1.00 0.00 H new ATOM 0 HB2 ASN A 22 18.949 37.777 17.370 1.00 0.00 H new ATOM 0 HB3 ASN A 22 19.430 39.461 17.427 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.529 38.022 14.114 1.00 0.00 H new ATOM 0 HD22 ASN A 22 17.833 37.014 15.533 1.00 0.00 H new ATOM 335 N ASP A 23 21.189 36.269 15.053 1.00 0.00 N ATOM 336 CA ASP A 23 21.275 34.854 14.664 1.00 0.00 C ATOM 337 C ASP A 23 22.539 34.153 15.205 1.00 0.00 C ATOM 338 O ASP A 23 22.522 32.938 15.376 1.00 0.00 O ATOM 339 CB ASP A 23 21.119 34.665 13.146 1.00 0.00 C ATOM 340 CG ASP A 23 22.381 34.954 12.334 1.00 0.00 C ATOM 341 OD1 ASP A 23 22.694 34.144 11.431 1.00 0.00 O ATOM 342 OD2 ASP A 23 23.070 35.963 12.600 1.00 0.00 O1- ATOM 0 H ASP A 23 21.213 36.921 14.269 1.00 0.00 H new ATOM 0 HA ASP A 23 20.429 34.359 15.141 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.805 33.639 12.952 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.319 35.316 12.793 1.00 0.00 H new ATOM 347 N TYR A 24 23.586 34.908 15.572 1.00 0.00 N ATOM 348 CA TYR A 24 24.743 34.394 16.319 1.00 0.00 C ATOM 349 C TYR A 24 24.286 33.746 17.631 1.00 0.00 C ATOM 350 O TYR A 24 24.573 32.582 17.900 1.00 0.00 O ATOM 351 CB TYR A 24 25.722 35.547 16.614 1.00 0.00 C ATOM 352 CG TYR A 24 26.896 35.188 17.508 1.00 0.00 C ATOM 353 CD1 TYR A 24 27.849 34.253 17.064 1.00 0.00 C ATOM 354 CD2 TYR A 24 27.055 35.806 18.765 1.00 0.00 C ATOM 355 CE1 TYR A 24 28.951 33.919 17.872 1.00 0.00 C ATOM 356 CE2 TYR A 24 28.159 35.479 19.578 1.00 0.00 C ATOM 357 CZ TYR A 24 29.104 34.527 19.136 1.00 0.00 C ATOM 358 OH TYR A 24 30.158 34.198 19.929 1.00 0.00 O ATOM 0 H TYR A 24 23.653 35.903 15.356 1.00 0.00 H new ATOM 0 HA TYR A 24 25.246 33.639 15.716 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.109 35.924 15.667 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.168 36.362 17.079 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.734 33.788 16.096 1.00 0.00 H new ATOM 0 HD2 TYR A 24 26.330 36.531 19.105 1.00 0.00 H new ATOM 0 HE1 TYR A 24 29.678 33.199 17.526 1.00 0.00 H new ATOM 0 HE2 TYR A 24 28.282 35.956 20.539 1.00 0.00 H new ATOM 0 HH TYR A 24 29.830 33.776 20.751 1.00 0.00 H new ATOM 368 N CYS A 25 23.504 34.480 18.421 1.00 0.00 N ATOM 369 CA CYS A 25 22.985 34.002 19.697 1.00 0.00 C ATOM 370 C CYS A 25 21.884 32.959 19.543 1.00 0.00 C ATOM 371 O CYS A 25 21.792 32.067 20.380 1.00 0.00 O ATOM 372 CB CYS A 25 22.531 35.206 20.517 1.00 0.00 C ATOM 373 SG CYS A 25 23.991 36.108 21.052 1.00 0.00 S ATOM 0 H CYS A 25 23.212 35.430 18.190 1.00 0.00 H new ATOM 0 HA CYS A 25 23.784 33.481 20.225 1.00 0.00 H new ATOM 0 HB2 CYS A 25 21.885 35.850 19.920 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.949 34.880 21.379 1.00 0.00 H new ATOM 378 N VAL A 26 21.097 33.003 18.465 1.00 0.00 N ATOM 379 CA VAL A 26 20.170 31.910 18.143 1.00 0.00 C ATOM 380 C VAL A 26 20.947 30.603 17.926 1.00 0.00 C ATOM 381 O VAL A 26 20.670 29.611 18.601 1.00 0.00 O ATOM 382 CB VAL A 26 19.291 32.245 16.925 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.307 31.109 16.656 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.475 33.530 17.113 1.00 0.00 C ATOM 0 H VAL A 26 21.081 33.778 17.802 1.00 0.00 H new ATOM 0 HA VAL A 26 19.498 31.778 18.991 1.00 0.00 H new ATOM 0 HB VAL A 26 19.977 32.385 16.089 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.691 31.358 15.792 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.858 30.190 16.456 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.669 30.967 17.528 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.875 33.714 16.222 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.818 33.421 17.976 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.151 34.370 17.275 1.00 0.00 H new ATOM 394 N ARG A 27 21.964 30.608 17.051 1.00 0.00 N ATOM 395 CA ARG A 27 22.812 29.462 16.730 1.00 0.00 C ATOM 396 C ARG A 27 23.596 28.939 17.935 1.00 0.00 C ATOM 397 O ARG A 27 23.428 27.790 18.329 1.00 0.00 O ATOM 398 CB ARG A 27 23.727 29.918 15.589 1.00 0.00 C ATOM 399 CG ARG A 27 24.480 28.767 14.931 1.00 0.00 C ATOM 400 CD ARG A 27 25.192 29.292 13.684 1.00 0.00 C ATOM 401 NE ARG A 27 26.403 30.068 14.014 1.00 0.00 N ATOM 402 CZ ARG A 27 26.638 31.351 13.822 1.00 0.00 C ATOM 403 NH1 ARG A 27 25.787 32.190 13.314 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 27.788 31.845 14.156 1.00 0.00 N ATOM 0 H ARG A 27 22.224 31.446 16.530 1.00 0.00 H new ATOM 0 HA ARG A 27 22.203 28.610 16.428 1.00 0.00 H new ATOM 0 HB2 ARG A 27 23.130 30.432 14.836 1.00 0.00 H new ATOM 0 HB3 ARG A 27 24.446 30.641 15.974 1.00 0.00 H new ATOM 0 HG2 ARG A 27 25.203 28.342 15.627 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.789 27.968 14.663 1.00 0.00 H new ATOM 0 HD2 ARG A 27 25.464 28.453 13.044 1.00 0.00 H new ATOM 0 HD3 ARG A 27 24.506 29.919 13.114 1.00 0.00 H new ATOM 0 HE ARG A 27 27.160 29.541 14.449 1.00 0.00 H new ATOM 0 HH11 ARG A 27 24.861 31.869 13.032 1.00 0.00 H new ATOM 0 HH12 ARG A 27 26.045 33.170 13.197 1.00 0.00 H new ATOM 0 HH21 ARG A 27 28.503 31.242 14.564 1.00 0.00 H new ATOM 0 HH22 ARG A 27 27.979 32.836 14.011 1.00 0.00 H new ATOM 418 N GLU A 28 24.409 29.775 18.571 1.00 0.00 N ATOM 419 CA GLU A 28 25.272 29.339 19.677 1.00 0.00 C ATOM 420 C GLU A 28 24.473 28.887 20.915 1.00 0.00 C ATOM 421 O GLU A 28 24.921 27.985 21.626 1.00 0.00 O ATOM 422 CB GLU A 28 26.226 30.472 20.069 1.00 0.00 C ATOM 423 CG GLU A 28 27.190 30.960 18.973 1.00 0.00 C ATOM 424 CD GLU A 28 28.238 29.917 18.579 1.00 0.00 C ATOM 425 OE1 GLU A 28 29.419 30.045 18.984 1.00 0.00 O ATOM 426 OE2 GLU A 28 27.919 28.946 17.856 1.00 0.00 O1- ATOM 0 H GLU A 28 24.493 30.765 18.342 1.00 0.00 H new ATOM 0 HA GLU A 28 25.834 28.475 19.321 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.630 31.321 20.404 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.817 30.142 20.923 1.00 0.00 H new ATOM 0 HG2 GLU A 28 26.614 31.238 18.090 1.00 0.00 H new ATOM 0 HG3 GLU A 28 27.697 31.861 19.319 1.00 0.00 H new ATOM 433 N CYS A 29 23.285 29.461 21.162 1.00 0.00 N ATOM 434 CA CYS A 29 22.389 29.023 22.237 1.00 0.00 C ATOM 435 C CYS A 29 21.687 27.694 21.901 1.00 0.00 C ATOM 436 O CYS A 29 21.650 26.788 22.741 1.00 0.00 O ATOM 437 CB CYS A 29 21.364 30.125 22.540 1.00 0.00 C ATOM 438 SG CYS A 29 20.415 29.852 24.056 1.00 0.00 S ATOM 0 H CYS A 29 22.920 30.244 20.619 1.00 0.00 H new ATOM 0 HA CYS A 29 22.993 28.842 23.126 1.00 0.00 H new ATOM 0 HB2 CYS A 29 21.884 31.080 22.616 1.00 0.00 H new ATOM 0 HB3 CYS A 29 20.673 30.205 21.701 1.00 0.00 H new ATOM 443 N ARG A 30 21.169 27.534 20.668 1.00 0.00 N ATOM 444 CA ARG A 30 20.505 26.289 20.232 1.00 0.00 C ATOM 445 C ARG A 30 21.468 25.112 20.068 1.00 0.00 C ATOM 446 O ARG A 30 21.049 23.961 20.194 1.00 0.00 O ATOM 447 CB ARG A 30 19.589 26.537 19.012 1.00 0.00 C ATOM 448 CG ARG A 30 20.261 26.454 17.628 1.00 0.00 C ATOM 449 CD ARG A 30 19.423 27.117 16.518 1.00 0.00 C ATOM 450 NE ARG A 30 18.086 26.511 16.375 1.00 0.00 N ATOM 451 CZ ARG A 30 17.062 26.948 15.663 1.00 0.00 C ATOM 452 NH1 ARG A 30 17.080 28.010 14.908 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 15.948 26.283 15.712 1.00 0.00 N ATOM 0 H ARG A 30 21.198 28.258 19.950 1.00 0.00 H new ATOM 0 HA ARG A 30 19.849 25.973 21.043 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.775 25.812 19.042 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.140 27.525 19.116 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.239 26.933 17.674 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.431 25.408 17.373 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.314 28.179 16.736 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.956 27.039 15.570 1.00 0.00 H new ATOM 0 HE ARG A 30 17.932 25.645 16.891 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.929 28.570 14.836 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.245 28.281 14.389 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.879 25.446 16.290 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.142 26.598 15.172 1.00 0.00 H new ATOM 467 N LEU A 31 22.761 25.382 19.873 1.00 0.00 N ATOM 468 CA LEU A 31 23.820 24.367 19.923 1.00 0.00 C ATOM 469 C LEU A 31 24.218 23.973 21.365 1.00 0.00 C ATOM 470 O LEU A 31 24.797 22.899 21.565 1.00 0.00 O ATOM 471 CB LEU A 31 25.032 24.883 19.126 1.00 0.00 C ATOM 472 CG LEU A 31 24.798 24.977 17.606 1.00 0.00 C ATOM 473 CD1 LEU A 31 25.950 25.750 16.961 1.00 0.00 C ATOM 474 CD2 LEU A 31 24.735 23.596 16.952 1.00 0.00 C ATOM 0 H LEU A 31 23.107 26.321 19.674 1.00 0.00 H new ATOM 0 HA LEU A 31 23.437 23.452 19.472 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.306 25.869 19.501 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.881 24.225 19.311 1.00 0.00 H new ATOM 0 HG LEU A 31 23.845 25.483 17.454 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.786 25.817 15.886 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.997 26.753 17.384 1.00 0.00 H new ATOM 0 HD13 LEU A 31 26.889 25.231 17.153 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.569 23.708 15.881 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.675 23.070 17.120 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.916 23.024 17.388 1.00 0.00 H new ATOM 486 N ARG A 32 23.895 24.806 22.370 1.00 0.00 N ATOM 487 CA ARG A 32 24.188 24.548 23.790 1.00 0.00 C ATOM 488 C ARG A 32 23.064 23.816 24.524 1.00 0.00 C ATOM 489 O ARG A 32 23.281 22.695 24.977 1.00 0.00 O ATOM 490 CB ARG A 32 24.567 25.854 24.516 1.00 0.00 C ATOM 491 CG ARG A 32 25.220 25.590 25.888 1.00 0.00 C ATOM 492 CD ARG A 32 26.669 25.090 25.764 1.00 0.00 C ATOM 493 NE ARG A 32 27.569 26.176 25.352 1.00 0.00 N ATOM 494 CZ ARG A 32 28.158 27.059 26.131 1.00 0.00 C ATOM 495 NH1 ARG A 32 28.105 27.032 27.431 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 28.811 28.045 25.604 1.00 0.00 N ATOM 0 H ARG A 32 23.415 25.692 22.215 1.00 0.00 H new ATOM 0 HA ARG A 32 25.043 23.872 23.806 1.00 0.00 H new ATOM 0 HB2 ARG A 32 25.253 26.428 23.893 1.00 0.00 H new ATOM 0 HB3 ARG A 32 23.674 26.464 24.652 1.00 0.00 H new ATOM 0 HG2 ARG A 32 25.205 26.507 26.477 1.00 0.00 H new ATOM 0 HG3 ARG A 32 24.630 24.852 26.432 1.00 0.00 H new ATOM 0 HD2 ARG A 32 26.999 24.682 26.719 1.00 0.00 H new ATOM 0 HD3 ARG A 32 26.716 24.279 25.038 1.00 0.00 H new ATOM 0 HE ARG A 32 27.758 26.254 24.353 1.00 0.00 H new ATOM 0 HH11 ARG A 32 27.583 26.295 27.905 1.00 0.00 H new ATOM 0 HH12 ARG A 32 28.585 27.748 27.976 1.00 0.00 H new ATOM 0 HH21 ARG A 32 28.867 28.135 24.590 1.00 0.00 H new ATOM 0 HH22 ARG A 32 29.269 28.732 26.203 1.00 0.00 H new ATOM 510 N TYR A 33 21.889 24.432 24.674 1.00 0.00 N ATOM 511 CA TYR A 33 20.840 23.908 25.563 1.00 0.00 C ATOM 512 C TYR A 33 19.826 23.006 24.847 1.00 0.00 C ATOM 513 O TYR A 33 19.656 21.851 25.242 1.00 0.00 O ATOM 514 CB TYR A 33 20.168 25.056 26.336 1.00 0.00 C ATOM 515 CG TYR A 33 21.132 25.935 27.111 1.00 0.00 C ATOM 516 CD1 TYR A 33 21.973 25.370 28.090 1.00 0.00 C ATOM 517 CD2 TYR A 33 21.185 27.321 26.862 1.00 0.00 C ATOM 518 CE1 TYR A 33 22.880 26.182 28.797 1.00 0.00 C ATOM 519 CE2 TYR A 33 22.108 28.130 27.557 1.00 0.00 C ATOM 520 CZ TYR A 33 22.968 27.560 28.520 1.00 0.00 C ATOM 521 OH TYR A 33 23.873 28.335 29.176 1.00 0.00 O ATOM 0 H TYR A 33 21.636 25.295 24.193 1.00 0.00 H new ATOM 0 HA TYR A 33 21.329 23.254 26.285 1.00 0.00 H new ATOM 0 HB2 TYR A 33 19.614 25.677 25.632 1.00 0.00 H new ATOM 0 HB3 TYR A 33 19.441 24.634 27.030 1.00 0.00 H new ATOM 0 HD1 TYR A 33 21.922 24.312 28.299 1.00 0.00 H new ATOM 0 HD2 TYR A 33 20.518 27.765 26.138 1.00 0.00 H new ATOM 0 HE1 TYR A 33 23.512 25.746 29.556 1.00 0.00 H new ATOM 0 HE2 TYR A 33 22.157 29.189 27.352 1.00 0.00 H new ATOM 0 HH TYR A 33 23.799 29.261 28.862 1.00 0.00 H new ATOM 531 N TYR A 34 19.153 23.496 23.803 1.00 0.00 N ATOM 532 CA TYR A 34 18.134 22.737 23.063 1.00 0.00 C ATOM 533 C TYR A 34 17.952 23.282 21.639 1.00 0.00 C ATOM 534 O TYR A 34 18.020 24.489 21.422 1.00 0.00 O ATOM 535 CB TYR A 34 16.807 22.698 23.851 1.00 0.00 C ATOM 536 CG TYR A 34 16.143 24.037 24.148 1.00 0.00 C ATOM 537 CD1 TYR A 34 16.635 24.861 25.180 1.00 0.00 C ATOM 538 CD2 TYR A 34 14.986 24.427 23.451 1.00 0.00 C ATOM 539 CE1 TYR A 34 16.022 26.094 25.470 1.00 0.00 C ATOM 540 CE2 TYR A 34 14.353 25.649 23.751 1.00 0.00 C ATOM 541 CZ TYR A 34 14.878 26.498 24.748 1.00 0.00 C ATOM 542 OH TYR A 34 14.260 27.685 24.998 1.00 0.00 O ATOM 0 H TYR A 34 19.299 24.439 23.442 1.00 0.00 H new ATOM 0 HA TYR A 34 18.480 21.709 22.958 1.00 0.00 H new ATOM 0 HB2 TYR A 34 16.099 22.084 23.294 1.00 0.00 H new ATOM 0 HB3 TYR A 34 16.990 22.192 24.799 1.00 0.00 H new ATOM 0 HD1 TYR A 34 17.492 24.543 25.755 1.00 0.00 H new ATOM 0 HD2 TYR A 34 14.581 23.786 22.682 1.00 0.00 H new ATOM 0 HE1 TYR A 34 16.426 26.730 26.244 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.461 25.938 23.215 1.00 0.00 H new ATOM 0 HH TYR A 34 14.913 28.327 25.347 1.00 0.00 H new ATOM 552 N GLN A 35 17.727 22.413 20.649 1.00 0.00 N ATOM 553 CA GLN A 35 17.754 22.792 19.222 1.00 0.00 C ATOM 554 C GLN A 35 16.610 23.734 18.789 1.00 0.00 C ATOM 555 O GLN A 35 16.731 24.418 17.771 1.00 0.00 O ATOM 556 CB GLN A 35 17.873 21.531 18.344 1.00 0.00 C ATOM 557 CG GLN A 35 16.665 20.580 18.345 1.00 0.00 C ATOM 558 CD GLN A 35 15.764 20.749 17.128 1.00 0.00 C ATOM 559 OE1 GLN A 35 16.145 20.480 15.990 1.00 0.00 O ATOM 560 NE2 GLN A 35 14.537 21.171 17.325 1.00 0.00 N ATOM 0 H GLN A 35 17.521 21.427 20.808 1.00 0.00 H new ATOM 0 HA GLN A 35 18.646 23.400 19.070 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.059 21.846 17.317 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.749 20.970 18.669 1.00 0.00 H new ATOM 0 HG2 GLN A 35 17.022 19.551 18.384 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.079 20.749 19.248 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.220 21.394 18.268 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.901 21.276 16.535 1.00 0.00 H new ATOM 569 N SER A 36 15.538 23.837 19.578 1.00 0.00 N ATOM 570 CA SER A 36 14.454 24.818 19.426 1.00 0.00 C ATOM 571 C SER A 36 14.702 26.146 20.175 1.00 0.00 C ATOM 572 O SER A 36 13.820 27.007 20.195 1.00 0.00 O ATOM 573 CB SER A 36 13.121 24.199 19.880 1.00 0.00 C ATOM 574 OG SER A 36 12.891 22.936 19.268 1.00 0.00 O ATOM 0 H SER A 36 15.393 23.215 20.373 1.00 0.00 H new ATOM 0 HA SER A 36 14.416 25.070 18.366 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.124 24.083 20.964 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.303 24.876 19.635 1.00 0.00 H new ATOM 0 HG SER A 36 12.037 22.572 19.581 1.00 0.00 H new ATOM 580 N ALA A 37 15.863 26.342 20.815 1.00 0.00 N ATOM 581 CA ALA A 37 16.171 27.575 21.550 1.00 0.00 C ATOM 582 C ALA A 37 16.270 28.811 20.636 1.00 0.00 C ATOM 583 O ALA A 37 16.378 28.702 19.412 1.00 0.00 O ATOM 584 CB ALA A 37 17.451 27.400 22.375 1.00 0.00 C ATOM 0 H ALA A 37 16.613 25.651 20.837 1.00 0.00 H new ATOM 0 HA ALA A 37 15.335 27.759 22.224 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.666 28.323 22.914 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.316 26.587 23.088 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.283 27.166 21.711 1.00 0.00 H new ATOM 590 N HIS A 38 16.218 29.997 21.244 1.00 0.00 N ATOM 591 CA HIS A 38 16.174 31.285 20.551 1.00 0.00 C ATOM 592 C HIS A 38 16.782 32.395 21.418 1.00 0.00 C ATOM 593 O HIS A 38 16.762 32.312 22.652 1.00 0.00 O ATOM 594 CB HIS A 38 14.714 31.572 20.187 1.00 0.00 C ATOM 595 CG HIS A 38 14.500 32.782 19.316 1.00 0.00 C ATOM 596 ND1 HIS A 38 14.420 32.758 17.921 1.00 0.00 N ATOM 597 CD2 HIS A 38 14.326 34.062 19.751 1.00 0.00 C ATOM 598 CE1 HIS A 38 14.178 34.028 17.554 1.00 0.00 C ATOM 599 NE2 HIS A 38 14.118 34.828 18.630 1.00 0.00 N ATOM 0 H HIS A 38 16.205 30.090 22.260 1.00 0.00 H new ATOM 0 HA HIS A 38 16.773 31.250 19.641 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.304 30.700 19.678 1.00 0.00 H new ATOM 0 HB3 HIS A 38 14.145 31.701 21.107 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.347 34.406 20.775 1.00 0.00 H new ATOM 0 HE1 HIS A 38 14.050 34.359 16.534 1.00 0.00 H new ATOM 0 HE2 HIS A 38 13.947 35.833 18.617 1.00 0.00 H new ATOM 607 N GLY A 39 17.318 33.437 20.781 1.00 0.00 N ATOM 608 CA GLY A 39 18.101 34.473 21.451 1.00 0.00 C ATOM 609 C GLY A 39 18.443 35.673 20.568 1.00 0.00 C ATOM 610 O GLY A 39 17.967 35.794 19.437 1.00 0.00 O ATOM 0 H GLY A 39 17.219 33.586 19.777 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.548 34.824 22.322 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.027 34.031 21.818 1.00 0.00 H new ATOM 614 N TYR A 40 19.238 36.583 21.130 1.00 0.00 N ATOM 615 CA TYR A 40 19.704 37.824 20.493 1.00 0.00 C ATOM 616 C TYR A 40 20.943 38.399 21.209 1.00 0.00 C ATOM 617 O TYR A 40 21.364 37.879 22.237 1.00 0.00 O ATOM 618 CB TYR A 40 18.543 38.842 20.438 1.00 0.00 C ATOM 619 CG TYR A 40 17.798 39.077 21.744 1.00 0.00 C ATOM 620 CD1 TYR A 40 18.380 39.854 22.764 1.00 0.00 C ATOM 621 CD2 TYR A 40 16.511 38.532 21.927 1.00 0.00 C ATOM 622 CE1 TYR A 40 17.684 40.075 23.966 1.00 0.00 C ATOM 623 CE2 TYR A 40 15.809 38.759 23.126 1.00 0.00 C ATOM 624 CZ TYR A 40 16.395 39.530 24.151 1.00 0.00 C ATOM 625 OH TYR A 40 15.728 39.743 25.315 1.00 0.00 O ATOM 0 H TYR A 40 19.592 36.475 22.081 1.00 0.00 H new ATOM 0 HA TYR A 40 20.017 37.602 19.473 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.940 39.797 20.092 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.826 38.505 19.690 1.00 0.00 H new ATOM 0 HD1 TYR A 40 19.362 40.281 22.623 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.062 37.938 21.145 1.00 0.00 H new ATOM 0 HE1 TYR A 40 18.137 40.664 24.750 1.00 0.00 H new ATOM 0 HE2 TYR A 40 14.822 38.343 23.261 1.00 0.00 H new ATOM 0 HH TYR A 40 16.140 39.213 26.030 1.00 0.00 H new ATOM 635 N CYS A 41 21.521 39.489 20.699 1.00 0.00 N ATOM 636 CA CYS A 41 22.559 40.272 21.386 1.00 0.00 C ATOM 637 C CYS A 41 21.924 41.496 22.072 1.00 0.00 C ATOM 638 O CYS A 41 21.039 42.125 21.495 1.00 0.00 O ATOM 639 CB CYS A 41 23.628 40.710 20.373 1.00 0.00 C ATOM 640 SG CYS A 41 24.680 39.384 19.724 1.00 0.00 S ATOM 0 H CYS A 41 21.279 39.861 19.781 1.00 0.00 H new ATOM 0 HA CYS A 41 23.033 39.657 22.151 1.00 0.00 H new ATOM 0 HB2 CYS A 41 23.131 41.198 19.535 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.266 41.458 20.845 1.00 0.00 H new ATOM 645 N TYR A 42 22.378 41.860 23.273 1.00 0.00 N ATOM 646 CA TYR A 42 21.916 43.044 24.013 1.00 0.00 C ATOM 647 C TYR A 42 23.064 43.606 24.862 1.00 0.00 C ATOM 648 O TYR A 42 23.757 42.833 25.527 1.00 0.00 O ATOM 649 CB TYR A 42 20.694 42.663 24.867 1.00 0.00 C ATOM 650 CG TYR A 42 20.069 43.801 25.656 1.00 0.00 C ATOM 651 CD1 TYR A 42 20.620 44.184 26.895 1.00 0.00 C ATOM 652 CD2 TYR A 42 18.916 44.454 25.172 1.00 0.00 C ATOM 653 CE1 TYR A 42 20.026 45.214 27.646 1.00 0.00 C ATOM 654 CE2 TYR A 42 18.305 45.472 25.932 1.00 0.00 C ATOM 655 CZ TYR A 42 18.857 45.849 27.177 1.00 0.00 C ATOM 656 OH TYR A 42 18.273 46.809 27.946 1.00 0.00 O ATOM 0 H TYR A 42 23.093 41.331 23.772 1.00 0.00 H new ATOM 0 HA TYR A 42 21.609 43.829 23.321 1.00 0.00 H new ATOM 0 HB2 TYR A 42 19.934 42.237 24.213 1.00 0.00 H new ATOM 0 HB3 TYR A 42 20.990 41.879 25.565 1.00 0.00 H new ATOM 0 HD1 TYR A 42 21.502 43.685 27.269 1.00 0.00 H new ATOM 0 HD2 TYR A 42 18.500 44.173 24.216 1.00 0.00 H new ATOM 0 HE1 TYR A 42 20.466 45.519 28.584 1.00 0.00 H new ATOM 0 HE2 TYR A 42 17.416 45.963 25.563 1.00 0.00 H new ATOM 0 HH TYR A 42 17.478 47.155 27.490 1.00 0.00 H new ATOM 666 N ALA A 43 23.286 44.927 24.854 1.00 0.00 N ATOM 667 CA ALA A 43 24.382 45.587 25.584 1.00 0.00 C ATOM 668 C ALA A 43 25.741 44.861 25.423 1.00 0.00 C ATOM 669 O ALA A 43 26.360 44.427 26.403 1.00 0.00 O ATOM 670 CB ALA A 43 23.951 45.802 27.043 1.00 0.00 C ATOM 0 H ALA A 43 22.701 45.580 24.332 1.00 0.00 H new ATOM 0 HA ALA A 43 24.568 46.566 25.143 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.756 46.290 27.592 1.00 0.00 H new ATOM 0 HB2 ALA A 43 23.060 46.430 27.071 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.730 44.839 27.503 1.00 0.00 H new ATOM 676 N PHE A 44 26.162 44.660 24.167 1.00 0.00 N ATOM 677 CA PHE A 44 27.409 43.993 23.747 1.00 0.00 C ATOM 678 C PHE A 44 27.636 42.544 24.225 1.00 0.00 C ATOM 679 O PHE A 44 28.715 41.999 23.996 1.00 0.00 O ATOM 680 CB PHE A 44 28.620 44.905 24.004 1.00 0.00 C ATOM 681 CG PHE A 44 28.575 46.191 23.208 1.00 0.00 C ATOM 682 CD1 PHE A 44 28.239 47.407 23.832 1.00 0.00 C ATOM 683 CD2 PHE A 44 28.842 46.160 21.825 1.00 0.00 C ATOM 684 CE1 PHE A 44 28.171 48.587 23.074 1.00 0.00 C ATOM 685 CE2 PHE A 44 28.781 47.343 21.070 1.00 0.00 C ATOM 686 CZ PHE A 44 28.448 48.554 21.696 1.00 0.00 C ATOM 0 H PHE A 44 25.612 44.976 23.368 1.00 0.00 H new ATOM 0 HA PHE A 44 27.283 43.844 22.675 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.668 45.144 25.066 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.533 44.364 23.757 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.034 47.432 24.892 1.00 0.00 H new ATOM 0 HD2 PHE A 44 29.094 45.226 21.345 1.00 0.00 H new ATOM 0 HE1 PHE A 44 27.906 49.520 23.549 1.00 0.00 H new ATOM 0 HE2 PHE A 44 28.990 47.321 20.011 1.00 0.00 H new ATOM 0 HZ PHE A 44 28.404 49.465 21.117 1.00 0.00 H new ATOM 696 N ALA A 45 26.631 41.870 24.794 1.00 0.00 N ATOM 697 CA ALA A 45 26.718 40.449 25.139 1.00 0.00 C ATOM 698 C ALA A 45 25.480 39.653 24.701 1.00 0.00 C ATOM 699 O ALA A 45 24.381 40.186 24.527 1.00 0.00 O ATOM 700 CB ALA A 45 27.043 40.288 26.629 1.00 0.00 C ATOM 0 H ALA A 45 25.734 42.296 25.028 1.00 0.00 H new ATOM 0 HA ALA A 45 27.540 40.013 24.572 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.105 39.228 26.875 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.997 40.768 26.847 1.00 0.00 H new ATOM 0 HB3 ALA A 45 26.258 40.753 27.225 1.00 0.00 H new ATOM 706 N CYS A 46 25.684 38.358 24.502 1.00 0.00 N ATOM 707 CA CYS A 46 24.691 37.417 24.003 1.00 0.00 C ATOM 708 C CYS A 46 23.562 37.137 25.013 1.00 0.00 C ATOM 709 O CYS A 46 23.752 37.327 26.211 1.00 0.00 O ATOM 710 CB CYS A 46 25.478 36.158 23.631 1.00 0.00 C ATOM 711 SG CYS A 46 24.634 34.954 22.596 1.00 0.00 S ATOM 0 H CYS A 46 26.584 37.916 24.692 1.00 0.00 H new ATOM 0 HA CYS A 46 24.163 37.825 23.142 1.00 0.00 H new ATOM 0 HB2 CYS A 46 26.390 36.466 23.120 1.00 0.00 H new ATOM 0 HB3 CYS A 46 25.781 35.661 24.553 1.00 0.00 H new ATOM 716 N TRP A 47 22.400 36.662 24.553 1.00 0.00 N ATOM 717 CA TRP A 47 21.224 36.392 25.390 1.00 0.00 C ATOM 718 C TRP A 47 20.409 35.184 24.892 1.00 0.00 C ATOM 719 O TRP A 47 20.096 35.093 23.705 1.00 0.00 O ATOM 720 CB TRP A 47 20.355 37.657 25.443 1.00 0.00 C ATOM 721 CG TRP A 47 19.387 37.728 26.580 1.00 0.00 C ATOM 722 CD1 TRP A 47 18.048 37.552 26.500 1.00 0.00 C ATOM 723 CD2 TRP A 47 19.664 38.047 27.978 1.00 0.00 C ATOM 724 NE1 TRP A 47 17.475 37.776 27.738 1.00 0.00 N ATOM 725 CE2 TRP A 47 18.425 38.091 28.685 1.00 0.00 C ATOM 726 CE3 TRP A 47 20.834 38.351 28.710 1.00 0.00 C ATOM 727 CZ2 TRP A 47 18.351 38.436 30.042 1.00 0.00 C ATOM 728 CZ3 TRP A 47 20.770 38.689 30.076 1.00 0.00 C ATOM 729 CH2 TRP A 47 19.533 38.735 30.743 1.00 0.00 C ATOM 0 H TRP A 47 22.246 36.450 23.567 1.00 0.00 H new ATOM 0 HA TRP A 47 21.567 36.132 26.391 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.012 38.525 25.494 1.00 0.00 H new ATOM 0 HB3 TRP A 47 19.798 37.733 24.509 1.00 0.00 H new ATOM 0 HD1 TRP A 47 17.509 37.278 25.605 1.00 0.00 H new ATOM 0 HE1 TRP A 47 16.474 37.716 27.927 1.00 0.00 H new ATOM 0 HE3 TRP A 47 21.793 38.324 28.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 17.395 38.472 30.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.678 38.915 30.615 1.00 0.00 H new ATOM 0 HH2 TRP A 47 19.491 38.999 31.789 1.00 0.00 H new ATOM 740 N CYS A 48 20.054 34.279 25.806 1.00 0.00 N ATOM 741 CA CYS A 48 19.207 33.097 25.610 1.00 0.00 C ATOM 742 C CYS A 48 17.840 33.267 26.297 1.00 0.00 C ATOM 743 O CYS A 48 17.765 33.812 27.400 1.00 0.00 O ATOM 744 CB CYS A 48 19.888 31.879 26.244 1.00 0.00 C ATOM 745 SG CYS A 48 21.294 31.114 25.395 1.00 0.00 S ATOM 0 H CYS A 48 20.373 34.357 26.772 1.00 0.00 H new ATOM 0 HA CYS A 48 19.063 32.966 24.538 1.00 0.00 H new ATOM 0 HB2 CYS A 48 20.224 32.171 27.239 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.127 31.110 26.378 1.00 0.00 H new ATOM 750 N THR A 49 16.781 32.719 25.690 1.00 0.00 N ATOM 751 CA THR A 49 15.386 32.817 26.187 1.00 0.00 C ATOM 752 C THR A 49 14.726 31.474 26.556 1.00 0.00 C ATOM 753 O THR A 49 15.094 30.411 26.045 1.00 0.00 O ATOM 754 CB THR A 49 14.498 33.598 25.199 1.00 0.00 C ATOM 755 OG1 THR A 49 14.378 32.935 23.952 1.00 0.00 O ATOM 756 CG2 THR A 49 15.038 35.005 24.939 1.00 0.00 C ATOM 0 H THR A 49 16.861 32.184 24.825 1.00 0.00 H new ATOM 0 HA THR A 49 15.468 33.366 27.125 1.00 0.00 H new ATOM 0 HB THR A 49 13.518 33.661 25.673 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.271 32.752 23.592 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.383 35.522 24.237 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.075 35.559 25.877 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.041 34.938 24.517 1.00 0.00 H new ATOM 764 N HIS A 50 13.726 31.541 27.448 1.00 0.00 N ATOM 765 CA HIS A 50 12.812 30.454 27.873 1.00 0.00 C ATOM 766 C HIS A 50 13.468 29.221 28.543 1.00 0.00 C ATOM 767 O HIS A 50 12.842 28.159 28.645 1.00 0.00 O ATOM 768 CB HIS A 50 11.836 30.065 26.745 1.00 0.00 C ATOM 769 CG HIS A 50 11.180 31.209 26.001 1.00 0.00 C ATOM 770 ND1 HIS A 50 10.164 32.054 26.476 1.00 0.00 N ATOM 771 CD2 HIS A 50 11.448 31.539 24.707 1.00 0.00 C ATOM 772 CE1 HIS A 50 9.839 32.853 25.441 1.00 0.00 C ATOM 773 NE2 HIS A 50 10.605 32.577 24.378 1.00 0.00 N ATOM 0 H HIS A 50 13.514 32.415 27.929 1.00 0.00 H new ATOM 0 HA HIS A 50 12.243 30.894 28.692 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.375 29.452 26.023 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.052 29.440 27.172 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.181 31.076 24.063 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.069 33.610 25.465 1.00 0.00 H new ATOM 0 HE2 HIS A 50 10.570 33.055 23.477 1.00 0.00 H new ATOM 781 N LEU A 51 14.702 29.357 29.037 1.00 0.00 N ATOM 782 CA LEU A 51 15.466 28.306 29.730 1.00 0.00 C ATOM 783 C LEU A 51 14.741 27.802 30.989 1.00 0.00 C ATOM 784 O LEU A 51 14.064 28.588 31.655 1.00 0.00 O ATOM 785 CB LEU A 51 16.861 28.833 30.133 1.00 0.00 C ATOM 786 CG LEU A 51 17.698 29.524 29.039 1.00 0.00 C ATOM 787 CD1 LEU A 51 19.082 29.858 29.597 1.00 0.00 C ATOM 788 CD2 LEU A 51 17.872 28.648 27.801 1.00 0.00 C ATOM 0 H LEU A 51 15.219 30.233 28.964 1.00 0.00 H new ATOM 0 HA LEU A 51 15.566 27.474 29.033 1.00 0.00 H new ATOM 0 HB2 LEU A 51 16.731 29.538 30.954 1.00 0.00 H new ATOM 0 HB3 LEU A 51 17.439 27.995 30.521 1.00 0.00 H new ATOM 0 HG LEU A 51 17.164 30.427 28.743 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.677 30.347 28.826 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.978 30.525 30.453 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.579 28.940 29.911 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.469 29.180 27.060 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.378 27.723 28.078 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.894 28.415 27.380 1.00 0.00 H new ATOM 800 N TYR A 52 14.902 26.525 31.349 1.00 0.00 N ATOM 801 CA TYR A 52 14.281 25.971 32.566 1.00 0.00 C ATOM 802 C TYR A 52 14.784 26.603 33.871 1.00 0.00 C ATOM 803 O TYR A 52 15.891 27.133 33.962 1.00 0.00 O ATOM 804 CB TYR A 52 14.331 24.429 32.634 1.00 0.00 C ATOM 805 CG TYR A 52 15.640 23.654 32.767 1.00 0.00 C ATOM 806 CD1 TYR A 52 16.897 24.184 32.407 1.00 0.00 C ATOM 807 CD2 TYR A 52 15.560 22.306 33.180 1.00 0.00 C ATOM 808 CE1 TYR A 52 18.050 23.374 32.449 1.00 0.00 C ATOM 809 CE2 TYR A 52 16.711 21.495 33.220 1.00 0.00 C ATOM 810 CZ TYR A 52 17.965 22.025 32.849 1.00 0.00 C ATOM 811 OH TYR A 52 19.083 21.250 32.880 1.00 0.00 O ATOM 0 H TYR A 52 15.456 25.852 30.819 1.00 0.00 H new ATOM 0 HA TYR A 52 13.232 26.254 32.474 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.707 24.134 33.478 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.842 24.061 31.732 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.976 25.216 32.098 1.00 0.00 H new ATOM 0 HD2 TYR A 52 14.605 21.892 33.469 1.00 0.00 H new ATOM 0 HE1 TYR A 52 19.007 23.791 32.172 1.00 0.00 H new ATOM 0 HE2 TYR A 52 16.634 20.465 33.535 1.00 0.00 H new ATOM 0 HH TYR A 52 18.847 20.347 33.179 1.00 0.00 H new ATOM 821 N GLU A 53 13.981 26.470 34.927 1.00 0.00 N ATOM 822 CA GLU A 53 14.284 26.925 36.286 1.00 0.00 C ATOM 823 C GLU A 53 15.602 26.341 36.846 1.00 0.00 C ATOM 824 O GLU A 53 16.255 26.963 37.691 1.00 0.00 O ATOM 825 CB GLU A 53 13.079 26.618 37.202 1.00 0.00 C ATOM 826 CG GLU A 53 12.675 25.134 37.331 1.00 0.00 C ATOM 827 CD GLU A 53 11.579 24.677 36.351 1.00 0.00 C ATOM 828 OE1 GLU A 53 11.541 25.142 35.188 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.741 23.826 36.744 1.00 0.00 O1- ATOM 0 H GLU A 53 13.066 26.025 34.857 1.00 0.00 H new ATOM 0 HA GLU A 53 14.448 28.002 36.253 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.302 26.999 38.199 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.218 27.175 36.832 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.560 24.516 37.178 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.331 24.953 38.349 1.00 0.00 H new ATOM 836 N GLN A 54 16.055 25.195 36.322 1.00 0.00 N ATOM 837 CA GLN A 54 17.315 24.560 36.733 1.00 0.00 C ATOM 838 C GLN A 54 18.568 25.211 36.096 1.00 0.00 C ATOM 839 O GLN A 54 19.696 24.824 36.421 1.00 0.00 O ATOM 840 CB GLN A 54 17.263 23.048 36.442 1.00 0.00 C ATOM 841 CG GLN A 54 15.987 22.323 36.924 1.00 0.00 C ATOM 842 CD GLN A 54 15.757 22.391 38.434 1.00 0.00 C ATOM 843 OE1 GLN A 54 16.675 22.471 39.233 1.00 0.00 O ATOM 844 NE2 GLN A 54 14.528 22.360 38.895 1.00 0.00 N ATOM 0 H GLN A 54 15.556 24.679 35.597 1.00 0.00 H new ATOM 0 HA GLN A 54 17.415 24.718 37.807 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.361 22.899 35.367 1.00 0.00 H new ATOM 0 HB3 GLN A 54 18.127 22.576 36.909 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.124 22.755 36.417 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.042 21.277 36.623 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.742 22.293 38.248 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.359 22.403 39.900 1.00 0.00 H new ATOM 853 N ALA A 55 18.411 26.187 35.192 1.00 0.00 N ATOM 854 CA ALA A 55 19.512 26.933 34.580 1.00 0.00 C ATOM 855 C ALA A 55 20.087 28.029 35.499 1.00 0.00 C ATOM 856 O ALA A 55 19.359 28.711 36.229 1.00 0.00 O ATOM 857 CB ALA A 55 19.036 27.531 33.250 1.00 0.00 C ATOM 0 H ALA A 55 17.493 26.484 34.860 1.00 0.00 H new ATOM 0 HA ALA A 55 20.329 26.233 34.406 1.00 0.00 H new ATOM 0 HB1 ALA A 55 19.852 28.088 32.789 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.721 26.729 32.582 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.196 28.202 33.432 1.00 0.00 H new ATOM 863 N VAL A 56 21.400 28.260 35.396 1.00 0.00 N ATOM 864 CA VAL A 56 22.131 29.374 36.023 1.00 0.00 C ATOM 865 C VAL A 56 23.266 29.833 35.104 1.00 0.00 C ATOM 866 O VAL A 56 23.931 28.996 34.493 1.00 0.00 O ATOM 867 CB VAL A 56 22.609 28.996 37.440 1.00 0.00 C ATOM 868 CG1 VAL A 56 23.623 27.846 37.454 1.00 0.00 C ATOM 869 CG2 VAL A 56 23.225 30.192 38.175 1.00 0.00 C ATOM 0 H VAL A 56 22.011 27.652 34.851 1.00 0.00 H new ATOM 0 HA VAL A 56 21.460 30.223 36.153 1.00 0.00 H new ATOM 0 HB VAL A 56 21.707 28.666 37.955 1.00 0.00 H new ATOM 0 HG11 VAL A 56 23.917 27.632 38.482 1.00 0.00 H new ATOM 0 HG12 VAL A 56 23.171 26.957 37.013 1.00 0.00 H new ATOM 0 HG13 VAL A 56 24.503 28.130 36.877 1.00 0.00 H new ATOM 0 HG21 VAL A 56 23.548 29.881 39.169 1.00 0.00 H new ATOM 0 HG22 VAL A 56 24.083 30.562 37.613 1.00 0.00 H new ATOM 0 HG23 VAL A 56 22.482 30.985 38.266 1.00 0.00 H new ATOM 879 N VAL A 57 23.463 31.151 34.975 1.00 0.00 N ATOM 880 CA VAL A 57 24.407 31.749 33.999 1.00 0.00 C ATOM 881 C VAL A 57 25.612 32.466 34.617 1.00 0.00 C ATOM 882 O VAL A 57 26.479 32.934 33.885 1.00 0.00 O ATOM 883 CB VAL A 57 23.683 32.676 32.998 1.00 0.00 C ATOM 884 CG1 VAL A 57 22.592 31.925 32.222 1.00 0.00 C ATOM 885 CG2 VAL A 57 23.063 33.916 33.660 1.00 0.00 C ATOM 0 H VAL A 57 22.974 31.843 35.543 1.00 0.00 H new ATOM 0 HA VAL A 57 24.818 30.891 33.466 1.00 0.00 H new ATOM 0 HB VAL A 57 24.458 33.015 32.310 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.104 32.608 31.527 1.00 0.00 H new ATOM 0 HG12 VAL A 57 23.042 31.102 31.666 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.855 31.530 32.921 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.570 34.525 32.902 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.332 33.603 34.406 1.00 0.00 H new ATOM 0 HG23 VAL A 57 23.846 34.501 34.142 1.00 0.00 H new ATOM 895 N TRP A 58 25.685 32.592 35.948 1.00 0.00 N ATOM 896 CA TRP A 58 26.763 33.343 36.610 1.00 0.00 C ATOM 897 C TRP A 58 28.179 32.795 36.316 1.00 0.00 C ATOM 898 O TRP A 58 28.339 31.575 36.178 1.00 0.00 O ATOM 899 CB TRP A 58 26.504 33.391 38.118 1.00 0.00 C ATOM 900 CG TRP A 58 25.114 33.791 38.499 1.00 0.00 C ATOM 901 CD1 TRP A 58 24.354 34.711 37.862 1.00 0.00 C ATOM 902 CD2 TRP A 58 24.300 33.294 39.604 1.00 0.00 C ATOM 903 NE1 TRP A 58 23.111 34.770 38.450 1.00 0.00 N ATOM 904 CE2 TRP A 58 23.015 33.900 39.509 1.00 0.00 C ATOM 905 CE3 TRP A 58 24.506 32.388 40.670 1.00 0.00 C ATOM 906 CZ2 TRP A 58 21.974 33.587 40.382 1.00 0.00 C ATOM 907 CZ3 TRP A 58 23.473 32.102 41.587 1.00 0.00 C ATOM 908 CH2 TRP A 58 22.206 32.695 41.442 1.00 0.00 C ATOM 0 H TRP A 58 25.008 32.182 36.591 1.00 0.00 H new ATOM 0 HA TRP A 58 26.747 34.350 36.193 1.00 0.00 H new ATOM 0 HB2 TRP A 58 26.714 32.409 38.541 1.00 0.00 H new ATOM 0 HB3 TRP A 58 27.206 34.090 38.572 1.00 0.00 H new ATOM 0 HD1 TRP A 58 24.674 35.308 37.021 1.00 0.00 H new ATOM 0 HE1 TRP A 58 22.357 35.382 38.139 1.00 0.00 H new ATOM 0 HE3 TRP A 58 25.467 31.909 40.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 20.997 34.027 40.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 23.656 31.423 42.406 1.00 0.00 H new ATOM 0 HH2 TRP A 58 21.416 32.466 42.142 1.00 0.00 H new ATOM 919 N PRO A 59 29.212 33.666 36.272 1.00 0.00 N ATOM 920 CA PRO A 59 30.591 33.293 35.958 1.00 0.00 C ATOM 921 C PRO A 59 31.118 32.091 36.755 1.00 0.00 C ATOM 922 O PRO A 59 31.110 32.088 37.993 1.00 0.00 O ATOM 923 CB PRO A 59 31.416 34.559 36.213 1.00 0.00 C ATOM 924 CG PRO A 59 30.444 35.666 35.826 1.00 0.00 C ATOM 925 CD PRO A 59 29.126 35.122 36.372 1.00 0.00 C ATOM 0 HA PRO A 59 30.661 32.951 34.925 1.00 0.00 H new ATOM 0 HB2 PRO A 59 31.728 34.638 37.254 1.00 0.00 H new ATOM 0 HB3 PRO A 59 32.321 34.583 35.607 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.711 36.622 36.277 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.408 35.821 34.748 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.975 35.433 37.406 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.281 35.502 35.798 1.00 0.00 H new ATOM 933 N LEU A 60 31.616 31.089 36.021 1.00 0.00 N ATOM 934 CA LEU A 60 32.050 29.777 36.511 1.00 0.00 C ATOM 935 C LEU A 60 33.059 29.880 37.674 1.00 0.00 C ATOM 936 O LEU A 60 34.000 30.675 37.577 1.00 0.00 O ATOM 937 CB LEU A 60 32.707 28.992 35.354 1.00 0.00 C ATOM 938 CG LEU A 60 31.739 28.303 34.373 1.00 0.00 C ATOM 939 CD1 LEU A 60 30.872 29.280 33.577 1.00 0.00 C ATOM 940 CD2 LEU A 60 32.541 27.466 33.378 1.00 0.00 C ATOM 0 H LEU A 60 31.733 31.178 35.012 1.00 0.00 H new ATOM 0 HA LEU A 60 31.164 29.264 36.884 1.00 0.00 H new ATOM 0 HB2 LEU A 60 33.340 29.677 34.789 1.00 0.00 H new ATOM 0 HB3 LEU A 60 33.362 28.233 35.782 1.00 0.00 H new ATOM 0 HG LEU A 60 31.072 27.691 34.981 1.00 0.00 H new ATOM 0 HD11 LEU A 60 30.216 28.723 32.908 1.00 0.00 H new ATOM 0 HD12 LEU A 60 30.269 29.874 34.264 1.00 0.00 H new ATOM 0 HD13 LEU A 60 31.512 29.940 32.991 1.00 0.00 H new ATOM 0 HD21 LEU A 60 31.860 26.977 32.682 1.00 0.00 H new ATOM 0 HD22 LEU A 60 33.222 28.112 32.825 1.00 0.00 H new ATOM 0 HD23 LEU A 60 33.114 26.711 33.916 1.00 0.00 H new ATOM 952 N PRO A 61 32.945 29.047 38.729 1.00 0.00 N ATOM 953 CA PRO A 61 33.953 28.976 39.790 1.00 0.00 C ATOM 954 C PRO A 61 35.306 28.446 39.285 1.00 0.00 C ATOM 955 O PRO A 61 36.330 28.740 39.892 1.00 0.00 O ATOM 956 CB PRO A 61 33.350 28.053 40.855 1.00 0.00 C ATOM 957 CG PRO A 61 32.440 27.127 40.051 1.00 0.00 C ATOM 958 CD PRO A 61 31.904 28.053 38.960 1.00 0.00 C ATOM 0 HA PRO A 61 34.176 29.967 40.185 1.00 0.00 H new ATOM 0 HB2 PRO A 61 34.121 27.495 41.386 1.00 0.00 H new ATOM 0 HB3 PRO A 61 32.791 28.615 41.603 1.00 0.00 H new ATOM 0 HG2 PRO A 61 32.988 26.283 39.633 1.00 0.00 H new ATOM 0 HG3 PRO A 61 31.638 26.715 40.663 1.00 0.00 H new ATOM 0 HD2 PRO A 61 31.687 27.497 38.048 1.00 0.00 H new ATOM 0 HD3 PRO A 61 30.974 28.528 39.273 1.00 0.00 H new ATOM 966 N ASN A 62 35.317 27.713 38.162 1.00 0.00 N ATOM 967 CA ASN A 62 36.487 27.079 37.546 1.00 0.00 C ATOM 968 C ASN A 62 37.673 28.048 37.372 1.00 0.00 C ATOM 969 O ASN A 62 38.680 27.916 38.067 1.00 0.00 O ATOM 970 CB ASN A 62 36.058 26.447 36.200 1.00 0.00 C ATOM 971 CG ASN A 62 34.985 25.376 36.325 1.00 0.00 C ATOM 972 OD1 ASN A 62 33.901 25.608 36.851 1.00 0.00 O ATOM 973 ND2 ASN A 62 35.242 24.186 35.840 1.00 0.00 N ATOM 0 H ASN A 62 34.463 27.539 37.632 1.00 0.00 H new ATOM 0 HA ASN A 62 36.851 26.301 38.217 1.00 0.00 H new ATOM 0 HB2 ASN A 62 35.693 27.235 35.542 1.00 0.00 H new ATOM 0 HB3 ASN A 62 36.935 26.012 35.720 1.00 0.00 H new ATOM 0 HD21 ASN A 62 34.540 23.449 35.899 1.00 0.00 H new ATOM 0 HD22 ASN A 62 36.144 23.997 35.403 1.00 0.00 H new ATOM 980 N LYS A 63 37.547 29.043 36.480 1.00 0.00 N ATOM 981 CA LYS A 63 38.585 30.056 36.211 1.00 0.00 C ATOM 982 C LYS A 63 37.982 31.447 35.994 1.00 0.00 C ATOM 983 O LYS A 63 37.198 31.651 35.064 1.00 0.00 O ATOM 984 CB LYS A 63 39.461 29.625 35.018 1.00 0.00 C ATOM 985 CG LYS A 63 40.390 28.425 35.300 1.00 0.00 C ATOM 986 CD LYS A 63 41.476 28.655 36.371 1.00 0.00 C ATOM 987 CE LYS A 63 42.456 29.751 35.941 1.00 0.00 C ATOM 988 NZ LYS A 63 43.581 29.923 36.890 1.00 0.00 N1+ ATOM 0 H LYS A 63 36.707 29.170 35.915 1.00 0.00 H new ATOM 0 HA LYS A 63 39.222 30.126 37.093 1.00 0.00 H new ATOM 0 HB2 LYS A 63 38.811 29.375 34.179 1.00 0.00 H new ATOM 0 HB3 LYS A 63 40.070 30.474 34.707 1.00 0.00 H new ATOM 0 HG2 LYS A 63 39.776 27.579 35.608 1.00 0.00 H new ATOM 0 HG3 LYS A 63 40.879 28.141 34.368 1.00 0.00 H new ATOM 0 HD2 LYS A 63 41.007 28.933 37.315 1.00 0.00 H new ATOM 0 HD3 LYS A 63 42.019 27.727 36.547 1.00 0.00 H new ATOM 0 HE2 LYS A 63 42.853 29.510 34.955 1.00 0.00 H new ATOM 0 HE3 LYS A 63 41.919 30.695 35.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 44.211 30.677 36.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 43.209 30.181 37.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 44.114 29.033 36.962 1.00 0.00 H new ATOM 1002 N ARG A 64 38.369 32.407 36.839 1.00 0.00 N ATOM 1003 CA ARG A 64 37.884 33.799 36.834 1.00 0.00 C ATOM 1004 C ARG A 64 38.237 34.561 35.554 1.00 0.00 C ATOM 1005 O ARG A 64 39.388 34.526 35.112 1.00 0.00 O ATOM 1006 CB ARG A 64 38.461 34.555 38.037 1.00 0.00 C ATOM 1007 CG ARG A 64 37.809 34.136 39.367 1.00 0.00 C ATOM 1008 CD ARG A 64 38.185 35.111 40.488 1.00 0.00 C ATOM 1009 NE ARG A 64 37.658 36.456 40.193 1.00 0.00 N ATOM 1010 CZ ARG A 64 37.861 37.566 40.870 1.00 0.00 C ATOM 1011 NH1 ARG A 64 38.584 37.638 41.946 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 37.328 38.670 40.456 1.00 0.00 N ATOM 0 H ARG A 64 39.054 32.234 37.575 1.00 0.00 H new ATOM 0 HA ARG A 64 36.797 33.745 36.890 1.00 0.00 H new ATOM 0 HB2 ARG A 64 39.535 34.378 38.092 1.00 0.00 H new ATOM 0 HB3 ARG A 64 38.321 35.626 37.890 1.00 0.00 H new ATOM 0 HG2 ARG A 64 36.725 34.107 39.253 1.00 0.00 H new ATOM 0 HG3 ARG A 64 38.129 33.128 39.633 1.00 0.00 H new ATOM 0 HD2 ARG A 64 37.785 34.756 41.438 1.00 0.00 H new ATOM 0 HD3 ARG A 64 39.269 35.153 40.595 1.00 0.00 H new ATOM 0 HE ARG A 64 37.066 36.536 39.366 1.00 0.00 H new ATOM 0 HH11 ARG A 64 39.035 36.801 42.314 1.00 0.00 H new ATOM 0 HH12 ARG A 64 38.701 38.532 42.423 1.00 0.00 H new ATOM 0 HH21 ARG A 64 36.756 38.675 39.611 1.00 0.00 H new ATOM 0 HH22 ARG A 64 37.480 39.535 40.974 1.00 0.00 H new