USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 492 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 62 ASN : amide:sc= -0.0599 K(o=0.44,f=-9.3!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -144:sc= 0.497 (180deg=0.786) USER MOD Single : A 1 LYS N :NH3+ 155:sc= 0.621 (180deg=-0.78!) USER MOD Single : A 1 LYS NZ :NH3+ -149:sc= 1.18 (180deg=0.936) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.13) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 53:sc= 1.14 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 149:sc= 0.201 USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0877) USER MOD Single : A 22 ASN : amide:sc= 0.241 K(o=0.24,f=-5.6!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 0.472 (180deg=0.245) USER MOD Single : A 31 GLN : amide:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.822 X(o=-0.82,f=-0.82) USER MOD Single : A 33 TYR OH : rot 180:sc= 1.03 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.0764 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -70:sc= 1.21 USER MOD Single : A 50 HIS : no HE2:sc= 0.126 K(o=0.13,f=-3.8!) USER MOD Single : A 52 TYR OH : rot 30:sc=-0.00996 USER MOD Single : A 54 GLN : amide:sc= -0.263 K(o=-0.26,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.239 1.582 1.412 1.00 1.00 N ATOM 2 CA LYS A 1 -9.983 0.922 1.727 1.00 1.00 C ATOM 3 C LYS A 1 -9.177 0.729 0.441 1.00 1.00 C ATOM 4 O LYS A 1 -8.734 -0.379 0.143 1.00 1.00 O ATOM 5 CB LYS A 1 -10.238 -0.377 2.494 1.00 1.00 C ATOM 6 CG LYS A 1 -11.276 -1.242 1.776 1.00 1.00 C ATOM 7 CD LYS A 1 -12.000 -2.161 2.762 1.00 1.00 C ATOM 8 CE LYS A 1 -13.165 -2.885 2.082 1.00 1.00 C ATOM 9 NZ LYS A 1 -13.681 -3.965 2.952 1.00 1.00 N ATOM 0 H1 LYS A 1 -11.946 1.348 2.138 1.00 1.00 H new ATOM 0 H2 LYS A 1 -11.094 2.612 1.389 1.00 1.00 H new ATOM 0 H3 LYS A 1 -11.577 1.259 0.483 1.00 1.00 H new ATOM 0 HA LYS A 1 -9.382 1.544 2.390 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -9.305 -0.932 2.597 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -10.585 -0.147 3.501 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -12.000 -0.603 1.270 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -10.787 -1.840 1.007 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -11.299 -2.892 3.166 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -12.372 -1.577 3.604 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -13.962 -2.176 1.861 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -12.836 -3.302 1.130 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -14.051 -4.738 2.363 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -12.912 -4.324 3.553 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -14.444 -3.592 3.553 1.00 1.00 H new ATOM 25 N GLU A 2 -9.012 1.824 -0.286 1.00 1.00 N ATOM 26 CA GLU A 2 -8.325 1.775 -1.566 1.00 1.00 C ATOM 27 C GLU A 2 -7.031 2.589 -1.506 1.00 1.00 C ATOM 28 O GLU A 2 -6.646 3.071 -0.442 1.00 1.00 O ATOM 29 CB GLU A 2 -9.233 2.271 -2.693 1.00 1.00 C ATOM 30 CG GLU A 2 -10.701 1.968 -2.390 1.00 1.00 C ATOM 31 CD GLU A 2 -10.900 0.483 -2.076 1.00 1.00 C ATOM 32 OE1 GLU A 2 -10.420 -0.338 -2.887 1.00 1.00 O ATOM 33 OE2 GLU A 2 -11.526 0.203 -1.031 1.00 1.00 O ATOM 0 H GLU A 2 -9.342 2.750 -0.014 1.00 1.00 H new ATOM 0 HA GLU A 2 -8.068 0.737 -1.780 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -9.100 3.345 -2.826 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -8.946 1.796 -3.631 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -11.033 2.570 -1.544 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -11.318 2.249 -3.244 1.00 1.00 H new ATOM 40 N GLY A 3 -6.395 2.717 -2.661 1.00 1.00 N ATOM 41 CA GLY A 3 -5.457 3.804 -2.882 1.00 1.00 C ATOM 42 C GLY A 3 -4.402 3.414 -3.920 1.00 1.00 C ATOM 43 O GLY A 3 -4.549 2.408 -4.612 1.00 1.00 O ATOM 0 H GLY A 3 -6.511 2.086 -3.454 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -5.994 4.690 -3.219 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -4.969 4.065 -1.943 1.00 1.00 H new ATOM 47 N TYR A 4 -3.361 4.231 -3.993 1.00 1.00 N ATOM 48 CA TYR A 4 -2.196 3.888 -4.791 1.00 1.00 C ATOM 49 C TYR A 4 -1.466 2.678 -4.202 1.00 1.00 C ATOM 50 O TYR A 4 -0.740 2.805 -3.217 1.00 1.00 O ATOM 51 CB TYR A 4 -1.271 5.105 -4.731 1.00 1.00 C ATOM 52 CG TYR A 4 -1.906 6.395 -5.254 1.00 1.00 C ATOM 53 CD1 TYR A 4 -2.083 6.576 -6.611 1.00 1.00 C ATOM 54 CD2 TYR A 4 -2.300 7.377 -4.369 1.00 1.00 C ATOM 55 CE1 TYR A 4 -2.681 7.790 -7.102 1.00 1.00 C ATOM 56 CE2 TYR A 4 -2.898 8.592 -4.861 1.00 1.00 C ATOM 57 CZ TYR A 4 -3.059 8.738 -6.203 1.00 1.00 C ATOM 58 OH TYR A 4 -3.624 9.885 -6.668 1.00 1.00 O ATOM 0 H TYR A 4 -3.300 5.129 -3.513 1.00 1.00 H new ATOM 0 HA TYR A 4 -2.489 3.635 -5.810 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -0.957 5.259 -3.699 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -0.372 4.894 -5.310 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -1.773 5.808 -7.304 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -2.160 7.235 -3.308 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -2.826 7.945 -8.161 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -3.211 9.369 -4.179 1.00 1.00 H new ATOM 0 HH TYR A 4 -3.845 10.470 -5.914 1.00 1.00 H new ATOM 68 N LEU A 5 -1.684 1.532 -4.831 1.00 1.00 N ATOM 69 CA LEU A 5 -0.871 0.360 -4.553 1.00 1.00 C ATOM 70 C LEU A 5 0.601 0.770 -4.486 1.00 1.00 C ATOM 71 O LEU A 5 1.060 1.586 -5.284 1.00 1.00 O ATOM 72 CB LEU A 5 -1.156 -0.742 -5.575 1.00 1.00 C ATOM 73 CG LEU A 5 -0.105 -1.850 -5.676 1.00 1.00 C ATOM 74 CD1 LEU A 5 -0.693 -3.106 -6.323 1.00 1.00 C ATOM 75 CD2 LEU A 5 1.142 -1.357 -6.411 1.00 1.00 C ATOM 0 H LEU A 5 -2.411 1.390 -5.532 1.00 1.00 H new ATOM 0 HA LEU A 5 -1.129 -0.062 -3.582 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -2.115 -1.199 -5.330 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -1.265 -0.281 -6.557 1.00 1.00 H new ATOM 0 HG LEU A 5 0.203 -2.122 -4.666 1.00 1.00 H new ATOM 0 HD11 LEU A 5 0.074 -3.878 -6.383 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -1.527 -3.469 -5.722 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -1.046 -2.867 -7.326 1.00 1.00 H new ATOM 0 HD21 LEU A 5 1.873 -2.164 -6.469 1.00 1.00 H new ATOM 0 HD22 LEU A 5 0.870 -1.041 -7.418 1.00 1.00 H new ATOM 0 HD23 LEU A 5 1.574 -0.514 -5.871 1.00 1.00 H new ATOM 87 N VAL A 6 1.301 0.186 -3.524 1.00 1.00 N ATOM 88 CA VAL A 6 2.689 0.542 -3.287 1.00 1.00 C ATOM 89 C VAL A 6 3.587 -0.636 -3.670 1.00 1.00 C ATOM 90 O VAL A 6 3.223 -1.792 -3.459 1.00 1.00 O ATOM 91 CB VAL A 6 2.875 0.988 -1.835 1.00 1.00 C ATOM 92 CG1 VAL A 6 2.557 -0.153 -0.867 1.00 1.00 C ATOM 93 CG2 VAL A 6 4.289 1.526 -1.604 1.00 1.00 C ATOM 0 H VAL A 6 0.932 -0.531 -2.900 1.00 1.00 H new ATOM 0 HA VAL A 6 2.978 1.387 -3.912 1.00 1.00 H new ATOM 0 HB VAL A 6 2.173 1.798 -1.640 1.00 1.00 H new ATOM 0 HG11 VAL A 6 2.697 0.190 0.158 1.00 1.00 H new ATOM 0 HG12 VAL A 6 1.523 -0.470 -1.006 1.00 1.00 H new ATOM 0 HG13 VAL A 6 3.224 -0.993 -1.063 1.00 1.00 H new ATOM 0 HG21 VAL A 6 4.395 1.836 -0.564 1.00 1.00 H new ATOM 0 HG22 VAL A 6 5.016 0.745 -1.826 1.00 1.00 H new ATOM 0 HG23 VAL A 6 4.464 2.381 -2.257 1.00 1.00 H new ATOM 103 N ASP A 7 4.741 -0.303 -4.228 1.00 1.00 N ATOM 104 CA ASP A 7 5.629 -1.316 -4.774 1.00 1.00 C ATOM 105 C ASP A 7 6.248 -2.117 -3.627 1.00 1.00 C ATOM 106 O ASP A 7 6.695 -1.543 -2.634 1.00 1.00 O ATOM 107 CB ASP A 7 6.767 -0.678 -5.574 1.00 1.00 C ATOM 108 CG ASP A 7 8.087 -1.449 -5.546 1.00 1.00 C ATOM 109 OD1 ASP A 7 8.040 -2.666 -5.828 1.00 1.00 O ATOM 110 OD2 ASP A 7 9.115 -0.805 -5.244 1.00 1.00 O ATOM 0 H ASP A 7 5.082 0.654 -4.314 1.00 1.00 H new ATOM 0 HA ASP A 7 5.043 -1.959 -5.431 1.00 1.00 H new ATOM 0 HB2 ASP A 7 6.447 -0.572 -6.611 1.00 1.00 H new ATOM 0 HB3 ASP A 7 6.942 0.327 -5.190 1.00 1.00 H new ATOM 115 N LYS A 8 6.256 -3.430 -3.801 1.00 1.00 N ATOM 116 CA LYS A 8 6.405 -4.335 -2.674 1.00 1.00 C ATOM 117 C LYS A 8 7.884 -4.687 -2.501 1.00 1.00 C ATOM 118 O LYS A 8 8.231 -5.541 -1.686 1.00 1.00 O ATOM 119 CB LYS A 8 5.497 -5.555 -2.841 1.00 1.00 C ATOM 120 CG LYS A 8 4.506 -5.663 -1.681 1.00 1.00 C ATOM 121 CD LYS A 8 5.213 -6.088 -0.392 1.00 1.00 C ATOM 122 CE LYS A 8 5.653 -7.552 -0.466 1.00 1.00 C ATOM 123 NZ LYS A 8 7.127 -7.655 -0.384 1.00 1.00 N ATOM 0 H LYS A 8 6.162 -3.890 -4.707 1.00 1.00 H new ATOM 0 HA LYS A 8 6.082 -3.852 -1.752 1.00 1.00 H new ATOM 0 HB2 LYS A 8 4.953 -5.482 -3.783 1.00 1.00 H new ATOM 0 HB3 LYS A 8 6.103 -6.460 -2.892 1.00 1.00 H new ATOM 0 HG2 LYS A 8 4.012 -4.703 -1.529 1.00 1.00 H new ATOM 0 HG3 LYS A 8 3.729 -6.386 -1.929 1.00 1.00 H new ATOM 0 HD2 LYS A 8 6.081 -5.452 -0.222 1.00 1.00 H new ATOM 0 HD3 LYS A 8 4.544 -5.948 0.457 1.00 1.00 H new ATOM 0 HE2 LYS A 8 5.197 -8.116 0.348 1.00 1.00 H new ATOM 0 HE3 LYS A 8 5.303 -7.997 -1.398 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 7.438 -8.543 -0.827 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 7.559 -6.850 -0.881 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 7.421 -7.644 0.614 1.00 1.00 H new ATOM 137 N ASN A 9 8.716 -4.013 -3.281 1.00 1.00 N ATOM 138 CA ASN A 9 10.152 -4.066 -3.068 1.00 1.00 C ATOM 139 C ASN A 9 10.600 -2.803 -2.329 1.00 1.00 C ATOM 140 O ASN A 9 10.939 -2.858 -1.148 1.00 1.00 O ATOM 141 CB ASN A 9 10.904 -4.127 -4.398 1.00 1.00 C ATOM 142 CG ASN A 9 11.365 -5.555 -4.701 1.00 1.00 C ATOM 143 OD1 ASN A 9 10.731 -6.297 -5.433 1.00 1.00 O ATOM 144 ND2 ASN A 9 12.502 -5.896 -4.100 1.00 1.00 N ATOM 0 H ASN A 9 8.423 -3.427 -4.062 1.00 1.00 H new ATOM 0 HA ASN A 9 10.374 -4.961 -2.487 1.00 1.00 H new ATOM 0 HB2 ASN A 9 10.259 -3.771 -5.201 1.00 1.00 H new ATOM 0 HB3 ASN A 9 11.767 -3.462 -4.363 1.00 1.00 H new ATOM 0 HD21 ASN A 9 12.893 -6.828 -4.240 1.00 1.00 H new ATOM 0 HD22 ASN A 9 12.982 -5.226 -3.499 1.00 1.00 H new ATOM 151 N THR A 10 10.588 -1.695 -3.055 1.00 1.00 N ATOM 152 CA THR A 10 11.190 -0.469 -2.559 1.00 1.00 C ATOM 153 C THR A 10 10.105 0.533 -2.158 1.00 1.00 C ATOM 154 O THR A 10 10.374 1.485 -1.429 1.00 1.00 O ATOM 155 CB THR A 10 12.138 0.061 -3.636 1.00 1.00 C ATOM 156 OG1 THR A 10 11.583 -0.423 -4.856 1.00 1.00 O ATOM 157 CG2 THR A 10 13.521 -0.591 -3.571 1.00 1.00 C ATOM 0 H THR A 10 10.171 -1.620 -3.983 1.00 1.00 H new ATOM 0 HA THR A 10 11.771 -0.651 -1.655 1.00 1.00 H new ATOM 0 HB THR A 10 12.240 1.141 -3.530 1.00 1.00 H new ATOM 0 HG1 THR A 10 10.638 -0.169 -4.909 1.00 1.00 H new ATOM 0 HG21 THR A 10 14.155 -0.179 -4.357 1.00 1.00 H new ATOM 0 HG22 THR A 10 13.972 -0.391 -2.599 1.00 1.00 H new ATOM 0 HG23 THR A 10 13.423 -1.668 -3.711 1.00 1.00 H new ATOM 165 N GLY A 11 8.901 0.283 -2.654 1.00 1.00 N ATOM 166 CA GLY A 11 7.818 1.241 -2.508 1.00 1.00 C ATOM 167 C GLY A 11 8.103 2.516 -3.306 1.00 1.00 C ATOM 168 O GLY A 11 7.747 3.612 -2.878 1.00 1.00 O ATOM 0 H GLY A 11 8.652 -0.569 -3.157 1.00 1.00 H new ATOM 0 HA2 GLY A 11 6.884 0.795 -2.850 1.00 1.00 H new ATOM 0 HA3 GLY A 11 7.686 1.489 -1.455 1.00 1.00 H new ATOM 172 N CYS A 12 8.742 2.328 -4.451 1.00 1.00 N ATOM 173 CA CYS A 12 9.169 3.456 -5.263 1.00 1.00 C ATOM 174 C CYS A 12 8.241 3.552 -6.476 1.00 1.00 C ATOM 175 O CYS A 12 8.457 2.877 -7.482 1.00 1.00 O ATOM 176 CB CYS A 12 10.637 3.332 -5.676 1.00 1.00 C ATOM 177 SG CYS A 12 11.701 4.725 -5.150 1.00 1.00 S ATOM 0 H CYS A 12 8.975 1.413 -4.836 1.00 1.00 H new ATOM 0 HA CYS A 12 9.100 4.374 -4.680 1.00 1.00 H new ATOM 0 HB2 CYS A 12 11.040 2.408 -5.261 1.00 1.00 H new ATOM 0 HB3 CYS A 12 10.689 3.243 -6.761 1.00 1.00 H new ATOM 182 N LYS A 13 7.228 4.395 -6.340 1.00 1.00 N ATOM 183 CA LYS A 13 6.503 4.885 -7.500 1.00 1.00 C ATOM 184 C LYS A 13 5.539 3.802 -7.989 1.00 1.00 C ATOM 185 O LYS A 13 5.822 2.612 -7.864 1.00 1.00 O ATOM 186 CB LYS A 13 7.477 5.373 -8.575 1.00 1.00 C ATOM 187 CG LYS A 13 6.847 6.479 -9.424 1.00 1.00 C ATOM 188 CD LYS A 13 7.877 7.093 -10.374 1.00 1.00 C ATOM 189 CE LYS A 13 7.269 8.253 -11.167 1.00 1.00 C ATOM 190 NZ LYS A 13 8.300 8.905 -12.004 1.00 1.00 N ATOM 0 H LYS A 13 6.892 4.751 -5.445 1.00 1.00 H new ATOM 0 HA LYS A 13 5.899 5.752 -7.233 1.00 1.00 H new ATOM 0 HB2 LYS A 13 8.387 5.745 -8.104 1.00 1.00 H new ATOM 0 HB3 LYS A 13 7.766 4.539 -9.214 1.00 1.00 H new ATOM 0 HG2 LYS A 13 6.014 6.072 -9.998 1.00 1.00 H new ATOM 0 HG3 LYS A 13 6.439 7.253 -8.775 1.00 1.00 H new ATOM 0 HD2 LYS A 13 8.736 7.448 -9.805 1.00 1.00 H new ATOM 0 HD3 LYS A 13 8.243 6.330 -11.061 1.00 1.00 H new ATOM 0 HE2 LYS A 13 6.459 7.885 -11.797 1.00 1.00 H new ATOM 0 HE3 LYS A 13 6.834 8.981 -10.482 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 7.871 9.689 -12.535 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 9.059 9.273 -11.396 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 8.696 8.211 -12.670 1.00 1.00 H new ATOM 204 N TYR A 14 4.419 4.253 -8.535 1.00 1.00 N ATOM 205 CA TYR A 14 3.470 3.344 -9.155 1.00 1.00 C ATOM 206 C TYR A 14 2.637 4.064 -10.219 1.00 1.00 C ATOM 207 O TYR A 14 1.436 4.258 -10.045 1.00 1.00 O ATOM 208 CB TYR A 14 2.544 2.872 -8.033 1.00 1.00 C ATOM 209 CG TYR A 14 1.485 1.864 -8.484 1.00 1.00 C ATOM 210 CD1 TYR A 14 1.850 0.776 -9.250 1.00 1.00 C ATOM 211 CD2 TYR A 14 0.164 2.043 -8.123 1.00 1.00 C ATOM 212 CE1 TYR A 14 0.853 -0.173 -9.674 1.00 1.00 C ATOM 213 CE2 TYR A 14 -0.832 1.093 -8.546 1.00 1.00 C ATOM 214 CZ TYR A 14 -0.439 0.032 -9.301 1.00 1.00 C ATOM 215 OH TYR A 14 -1.380 -0.864 -9.702 1.00 1.00 O ATOM 0 H TYR A 14 4.148 5.236 -8.561 1.00 1.00 H new ATOM 0 HA TYR A 14 3.990 2.519 -9.643 1.00 1.00 H new ATOM 0 HB2 TYR A 14 3.146 2.422 -7.244 1.00 1.00 H new ATOM 0 HB3 TYR A 14 2.045 3.738 -7.599 1.00 1.00 H new ATOM 0 HD1 TYR A 14 2.883 0.636 -9.532 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -0.122 2.895 -7.524 1.00 1.00 H new ATOM 0 HE1 TYR A 14 1.125 -1.028 -10.275 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -1.868 1.220 -8.270 1.00 1.00 H new ATOM 0 HH TYR A 14 -2.091 -0.915 -9.029 1.00 1.00 H new ATOM 225 N GLU A 15 3.310 4.439 -11.298 1.00 1.00 N ATOM 226 CA GLU A 15 2.759 5.415 -12.220 1.00 1.00 C ATOM 227 C GLU A 15 2.773 4.864 -13.648 1.00 1.00 C ATOM 228 O GLU A 15 3.524 3.939 -13.952 1.00 1.00 O ATOM 229 CB GLU A 15 3.520 6.740 -12.137 1.00 1.00 C ATOM 230 CG GLU A 15 3.200 7.475 -10.834 1.00 1.00 C ATOM 231 CD GLU A 15 4.110 8.691 -10.653 1.00 1.00 C ATOM 232 OE1 GLU A 15 4.412 9.332 -11.683 1.00 1.00 O ATOM 233 OE2 GLU A 15 4.483 8.954 -9.489 1.00 1.00 O ATOM 0 H GLU A 15 4.232 4.084 -11.553 1.00 1.00 H new ATOM 0 HA GLU A 15 1.725 5.609 -11.936 1.00 1.00 H new ATOM 0 HB2 GLU A 15 4.592 6.552 -12.199 1.00 1.00 H new ATOM 0 HB3 GLU A 15 3.257 7.369 -12.988 1.00 1.00 H new ATOM 0 HG2 GLU A 15 2.158 7.794 -10.839 1.00 1.00 H new ATOM 0 HG3 GLU A 15 3.322 6.796 -9.990 1.00 1.00 H new ATOM 240 N CYS A 16 1.935 5.456 -14.486 1.00 1.00 N ATOM 241 CA CYS A 16 1.747 4.954 -15.836 1.00 1.00 C ATOM 242 C CYS A 16 2.401 5.936 -16.809 1.00 1.00 C ATOM 243 O CYS A 16 2.821 7.022 -16.413 1.00 1.00 O ATOM 244 CB CYS A 16 0.266 4.735 -16.157 1.00 1.00 C ATOM 245 SG CYS A 16 -0.654 3.764 -14.907 1.00 1.00 S ATOM 0 H CYS A 16 1.378 6.279 -14.256 1.00 1.00 H new ATOM 0 HA CYS A 16 2.221 3.977 -15.933 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -0.215 5.707 -16.268 1.00 1.00 H new ATOM 0 HB3 CYS A 16 0.188 4.229 -17.119 1.00 1.00 H new ATOM 250 N LEU A 17 2.467 5.519 -18.065 1.00 1.00 N ATOM 251 CA LEU A 17 2.986 6.381 -19.114 1.00 1.00 C ATOM 252 C LEU A 17 1.918 7.405 -19.504 1.00 1.00 C ATOM 253 O LEU A 17 2.188 8.604 -19.547 1.00 1.00 O ATOM 254 CB LEU A 17 3.498 5.546 -20.290 1.00 1.00 C ATOM 255 CG LEU A 17 4.595 4.531 -19.966 1.00 1.00 C ATOM 256 CD1 LEU A 17 4.874 3.623 -21.165 1.00 1.00 C ATOM 257 CD2 LEU A 17 5.862 5.232 -19.471 1.00 1.00 C ATOM 0 H LEU A 17 2.170 4.596 -18.380 1.00 1.00 H new ATOM 0 HA LEU A 17 3.848 6.942 -18.753 1.00 1.00 H new ATOM 0 HB2 LEU A 17 2.653 5.012 -20.725 1.00 1.00 H new ATOM 0 HB3 LEU A 17 3.874 6.225 -21.055 1.00 1.00 H new ATOM 0 HG LEU A 17 4.242 3.894 -19.155 1.00 1.00 H new ATOM 0 HD11 LEU A 17 5.658 2.911 -20.907 1.00 1.00 H new ATOM 0 HD12 LEU A 17 3.966 3.082 -21.431 1.00 1.00 H new ATOM 0 HD13 LEU A 17 5.197 4.228 -22.012 1.00 1.00 H new ATOM 0 HD21 LEU A 17 6.626 4.487 -19.248 1.00 1.00 H new ATOM 0 HD22 LEU A 17 6.229 5.908 -20.243 1.00 1.00 H new ATOM 0 HD23 LEU A 17 5.635 5.800 -18.569 1.00 1.00 H new ATOM 269 N LYS A 18 0.726 6.893 -19.777 1.00 1.00 N ATOM 270 CA LYS A 18 -0.427 7.752 -19.980 1.00 1.00 C ATOM 271 C LYS A 18 -1.592 7.243 -19.126 1.00 1.00 C ATOM 272 O LYS A 18 -1.513 6.164 -18.542 1.00 1.00 O ATOM 273 CB LYS A 18 -0.760 7.861 -21.469 1.00 1.00 C ATOM 274 CG LYS A 18 0.432 8.405 -22.258 1.00 1.00 C ATOM 275 CD LYS A 18 0.060 8.639 -23.723 1.00 1.00 C ATOM 276 CE LYS A 18 1.303 8.935 -24.565 1.00 1.00 C ATOM 277 NZ LYS A 18 1.964 10.173 -24.097 1.00 1.00 N ATOM 0 H LYS A 18 0.535 5.895 -19.862 1.00 1.00 H new ATOM 0 HA LYS A 18 -0.207 8.768 -19.651 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -1.040 6.881 -21.856 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -1.621 8.516 -21.606 1.00 1.00 H new ATOM 0 HG2 LYS A 18 0.772 9.340 -21.812 1.00 1.00 H new ATOM 0 HG3 LYS A 18 1.263 7.702 -22.198 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.449 7.760 -24.117 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.639 9.472 -23.796 1.00 1.00 H new ATOM 0 HE2 LYS A 18 1.999 8.098 -24.503 1.00 1.00 H new ATOM 0 HE3 LYS A 18 1.023 9.039 -25.613 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 2.711 10.442 -24.768 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 1.263 10.938 -24.034 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 2.383 10.010 -23.159 1.00 1.00 H new ATOM 291 N LEU A 19 -2.645 8.047 -19.080 1.00 1.00 N ATOM 292 CA LEU A 19 -3.869 7.637 -18.413 1.00 1.00 C ATOM 293 C LEU A 19 -4.725 6.821 -19.384 1.00 1.00 C ATOM 294 O LEU A 19 -4.738 7.092 -20.584 1.00 1.00 O ATOM 295 CB LEU A 19 -4.593 8.852 -17.829 1.00 1.00 C ATOM 296 CG LEU A 19 -5.210 9.818 -18.843 1.00 1.00 C ATOM 297 CD1 LEU A 19 -6.731 9.659 -18.894 1.00 1.00 C ATOM 298 CD2 LEU A 19 -4.793 11.259 -18.552 1.00 1.00 C ATOM 0 H LEU A 19 -2.675 8.979 -19.493 1.00 1.00 H new ATOM 0 HA LEU A 19 -3.643 6.990 -17.565 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -5.384 8.496 -17.169 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -3.888 9.407 -17.211 1.00 1.00 H new ATOM 0 HG LEU A 19 -4.826 9.567 -19.832 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -7.146 10.356 -19.622 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -6.981 8.639 -19.186 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -7.152 9.868 -17.911 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -5.245 11.924 -19.287 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -5.128 11.540 -17.554 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -3.708 11.342 -18.607 1.00 1.00 H new ATOM 310 N GLY A 20 -5.416 5.837 -18.829 1.00 1.00 N ATOM 311 CA GLY A 20 -6.229 4.944 -19.637 1.00 1.00 C ATOM 312 C GLY A 20 -5.448 3.686 -20.018 1.00 1.00 C ATOM 313 O GLY A 20 -6.009 2.750 -20.588 1.00 1.00 O ATOM 0 H GLY A 20 -5.430 5.638 -17.829 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -7.127 4.666 -19.086 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.556 5.461 -20.539 1.00 1.00 H new ATOM 317 N ASP A 21 -4.165 3.702 -19.689 1.00 1.00 N ATOM 318 CA ASP A 21 -3.299 2.574 -19.993 1.00 1.00 C ATOM 319 C ASP A 21 -3.515 1.476 -18.950 1.00 1.00 C ATOM 320 O ASP A 21 -2.569 1.046 -18.292 1.00 1.00 O ATOM 321 CB ASP A 21 -1.826 2.984 -19.951 1.00 1.00 C ATOM 322 CG ASP A 21 -1.428 4.074 -20.949 1.00 1.00 C ATOM 323 OD1 ASP A 21 -2.289 4.414 -21.789 1.00 1.00 O ATOM 324 OD2 ASP A 21 -0.274 4.541 -20.849 1.00 1.00 O ATOM 0 H ASP A 21 -3.703 4.478 -19.215 1.00 1.00 H new ATOM 0 HA ASP A 21 -3.546 2.219 -20.994 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -1.590 3.330 -18.945 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -1.214 2.102 -20.137 1.00 1.00 H new ATOM 329 N ASN A 22 -4.765 1.054 -18.832 1.00 1.00 N ATOM 330 CA ASN A 22 -5.225 0.406 -17.616 1.00 1.00 C ATOM 331 C ASN A 22 -4.995 -1.103 -17.728 1.00 1.00 C ATOM 332 O ASN A 22 -5.880 -1.895 -17.409 1.00 1.00 O ATOM 333 CB ASN A 22 -6.721 0.641 -17.397 1.00 1.00 C ATOM 334 CG ASN A 22 -7.538 0.087 -18.566 1.00 1.00 C ATOM 335 OD1 ASN A 22 -7.145 0.151 -19.718 1.00 1.00 O ATOM 336 ND2 ASN A 22 -8.697 -0.458 -18.204 1.00 1.00 N ATOM 0 H ASN A 22 -5.474 1.148 -19.559 1.00 1.00 H new ATOM 0 HA ASN A 22 -4.668 0.827 -16.779 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -7.036 0.163 -16.469 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -6.913 1.708 -17.287 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -9.317 -0.855 -18.910 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -8.966 -0.479 -17.220 1.00 1.00 H new ATOM 343 N ASP A 23 -3.801 -1.455 -18.183 1.00 1.00 N ATOM 344 CA ASP A 23 -3.411 -2.853 -18.257 1.00 1.00 C ATOM 345 C ASP A 23 -2.401 -3.156 -17.148 1.00 1.00 C ATOM 346 O ASP A 23 -2.653 -3.996 -16.286 1.00 1.00 O ATOM 347 CB ASP A 23 -2.749 -3.169 -19.600 1.00 1.00 C ATOM 348 CG ASP A 23 -1.738 -4.317 -19.568 1.00 1.00 C ATOM 349 OD1 ASP A 23 -2.166 -5.440 -19.222 1.00 1.00 O ATOM 350 OD2 ASP A 23 -0.561 -4.046 -19.888 1.00 1.00 O ATOM 0 H ASP A 23 -3.091 -0.796 -18.504 1.00 1.00 H new ATOM 0 HA ASP A 23 -4.309 -3.460 -18.146 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -3.527 -3.410 -20.324 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -2.246 -2.272 -19.960 1.00 1.00 H new ATOM 355 N TYR A 24 -1.277 -2.455 -17.207 1.00 1.00 N ATOM 356 CA TYR A 24 -0.213 -2.665 -16.241 1.00 1.00 C ATOM 357 C TYR A 24 -0.705 -2.397 -14.817 1.00 1.00 C ATOM 358 O TYR A 24 -0.297 -3.080 -13.878 1.00 1.00 O ATOM 359 CB TYR A 24 0.879 -1.652 -16.590 1.00 1.00 C ATOM 360 CG TYR A 24 1.505 -1.862 -17.970 1.00 1.00 C ATOM 361 CD1 TYR A 24 2.332 -2.945 -18.195 1.00 1.00 C ATOM 362 CD2 TYR A 24 1.244 -0.971 -18.990 1.00 1.00 C ATOM 363 CE1 TYR A 24 2.922 -3.143 -19.493 1.00 1.00 C ATOM 364 CE2 TYR A 24 1.834 -1.169 -20.289 1.00 1.00 C ATOM 365 CZ TYR A 24 2.643 -2.246 -20.476 1.00 1.00 C ATOM 366 OH TYR A 24 3.201 -2.433 -21.703 1.00 1.00 O ATOM 0 H TYR A 24 -1.081 -1.741 -17.909 1.00 1.00 H new ATOM 0 HA TYR A 24 0.144 -3.694 -16.280 1.00 1.00 H new ATOM 0 HB2 TYR A 24 0.457 -0.648 -16.543 1.00 1.00 H new ATOM 0 HB3 TYR A 24 1.663 -1.704 -15.835 1.00 1.00 H new ATOM 0 HD1 TYR A 24 2.536 -3.643 -17.397 1.00 1.00 H new ATOM 0 HD2 TYR A 24 0.597 -0.124 -18.815 1.00 1.00 H new ATOM 0 HE1 TYR A 24 3.572 -3.985 -19.682 1.00 1.00 H new ATOM 0 HE2 TYR A 24 1.638 -0.478 -21.096 1.00 1.00 H new ATOM 0 HH TYR A 24 2.913 -1.716 -22.306 1.00 1.00 H new ATOM 376 N CYS A 25 -1.572 -1.404 -14.702 1.00 1.00 N ATOM 377 CA CYS A 25 -2.109 -1.024 -13.406 1.00 1.00 C ATOM 378 C CYS A 25 -2.923 -2.200 -12.861 1.00 1.00 C ATOM 379 O CYS A 25 -2.713 -2.632 -11.728 1.00 1.00 O ATOM 380 CB CYS A 25 -2.941 0.256 -13.490 1.00 1.00 C ATOM 381 SG CYS A 25 -2.065 1.696 -14.205 1.00 1.00 S ATOM 0 H CYS A 25 -1.917 -0.850 -15.485 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.290 -0.801 -12.722 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -3.830 0.056 -14.088 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -3.282 0.517 -12.488 1.00 1.00 H new ATOM 386 N LEU A 26 -3.834 -2.683 -13.692 1.00 1.00 N ATOM 387 CA LEU A 26 -4.655 -3.823 -13.321 1.00 1.00 C ATOM 388 C LEU A 26 -3.750 -5.007 -12.975 1.00 1.00 C ATOM 389 O LEU A 26 -3.914 -5.634 -11.930 1.00 1.00 O ATOM 390 CB LEU A 26 -5.674 -4.129 -14.420 1.00 1.00 C ATOM 391 CG LEU A 26 -7.117 -4.339 -13.957 1.00 1.00 C ATOM 392 CD1 LEU A 26 -8.107 -3.967 -15.064 1.00 1.00 C ATOM 393 CD2 LEU A 26 -7.330 -5.768 -13.454 1.00 1.00 C ATOM 0 H LEU A 26 -4.022 -2.306 -14.621 1.00 1.00 H new ATOM 0 HA LEU A 26 -5.240 -3.597 -12.429 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -5.660 -3.310 -15.139 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -5.349 -5.025 -14.950 1.00 1.00 H new ATOM 0 HG LEU A 26 -7.307 -3.671 -13.117 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -9.126 -4.125 -14.710 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -7.975 -2.919 -15.333 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -7.926 -4.592 -15.939 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -8.364 -5.890 -13.131 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -7.115 -6.472 -14.258 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -6.663 -5.961 -12.614 1.00 1.00 H new ATOM 405 N ARG A 27 -2.813 -5.277 -13.873 1.00 1.00 N ATOM 406 CA ARG A 27 -2.086 -6.535 -13.841 1.00 1.00 C ATOM 407 C ARG A 27 -1.219 -6.615 -12.583 1.00 1.00 C ATOM 408 O ARG A 27 -1.184 -7.646 -11.914 1.00 1.00 O ATOM 409 CB ARG A 27 -1.198 -6.689 -15.076 1.00 1.00 C ATOM 410 CG ARG A 27 -1.895 -7.522 -16.154 1.00 1.00 C ATOM 411 CD ARG A 27 -0.882 -8.097 -17.145 1.00 1.00 C ATOM 412 NE ARG A 27 -0.372 -7.024 -18.028 1.00 1.00 N ATOM 413 CZ ARG A 27 0.738 -7.125 -18.770 1.00 1.00 C ATOM 414 NH1 ARG A 27 1.382 -8.298 -18.856 1.00 1.00 N ATOM 415 NH2 ARG A 27 1.206 -6.055 -19.426 1.00 1.00 N ATOM 0 H ARG A 27 -2.541 -4.646 -14.627 1.00 1.00 H new ATOM 0 HA ARG A 27 -2.819 -7.342 -13.832 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -0.951 -5.705 -15.475 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -0.258 -7.165 -14.795 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -2.453 -8.334 -15.687 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -2.618 -6.903 -16.686 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -0.055 -8.559 -16.606 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -1.350 -8.880 -17.743 1.00 1.00 H new ATOM 0 HE ARG A 27 -0.900 -6.152 -18.074 1.00 1.00 H new ATOM 0 HH11 ARG A 27 1.026 -9.113 -18.356 1.00 1.00 H new ATOM 0 HH12 ARG A 27 2.228 -8.375 -19.421 1.00 1.00 H new ATOM 0 HH21 ARG A 27 0.717 -5.162 -19.360 1.00 1.00 H new ATOM 0 HH22 ARG A 27 2.052 -6.133 -19.991 1.00 1.00 H new ATOM 429 N GLU A 28 -0.539 -5.512 -12.301 1.00 1.00 N ATOM 430 CA GLU A 28 0.330 -5.446 -11.138 1.00 1.00 C ATOM 431 C GLU A 28 -0.493 -5.556 -9.853 1.00 1.00 C ATOM 432 O GLU A 28 -0.083 -6.224 -8.905 1.00 1.00 O ATOM 433 CB GLU A 28 1.161 -4.163 -11.148 1.00 1.00 C ATOM 434 CG GLU A 28 2.222 -4.204 -12.249 1.00 1.00 C ATOM 435 CD GLU A 28 3.199 -5.362 -12.026 1.00 1.00 C ATOM 436 OE1 GLU A 28 3.967 -5.275 -11.046 1.00 1.00 O ATOM 437 OE2 GLU A 28 3.152 -6.308 -12.842 1.00 1.00 O ATOM 0 H GLU A 28 -0.573 -4.658 -12.858 1.00 1.00 H new ATOM 0 HA GLU A 28 1.021 -6.288 -11.177 1.00 1.00 H new ATOM 0 HB2 GLU A 28 0.508 -3.304 -11.300 1.00 1.00 H new ATOM 0 HB3 GLU A 28 1.642 -4.030 -10.179 1.00 1.00 H new ATOM 0 HG2 GLU A 28 1.739 -4.312 -13.220 1.00 1.00 H new ATOM 0 HG3 GLU A 28 2.768 -3.261 -12.268 1.00 1.00 H new ATOM 444 N CYS A 29 -1.640 -4.892 -9.863 1.00 1.00 N ATOM 445 CA CYS A 29 -2.601 -5.043 -8.785 1.00 1.00 C ATOM 446 C CYS A 29 -3.004 -6.516 -8.703 1.00 1.00 C ATOM 447 O CYS A 29 -3.216 -7.046 -7.613 1.00 1.00 O ATOM 448 CB CYS A 29 -3.814 -4.129 -8.976 1.00 1.00 C ATOM 449 SG CYS A 29 -4.542 -3.486 -7.425 1.00 1.00 S ATOM 0 H CYS A 29 -1.925 -4.248 -10.601 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.145 -4.739 -7.843 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -3.521 -3.285 -9.600 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -4.582 -4.677 -9.521 1.00 1.00 H new ATOM 454 N LYS A 30 -3.099 -7.137 -9.870 1.00 1.00 N ATOM 455 CA LYS A 30 -3.617 -8.491 -9.958 1.00 1.00 C ATOM 456 C LYS A 30 -2.533 -9.477 -9.517 1.00 1.00 C ATOM 457 O LYS A 30 -2.832 -10.616 -9.161 1.00 1.00 O ATOM 458 CB LYS A 30 -4.166 -8.766 -11.359 1.00 1.00 C ATOM 459 CG LYS A 30 -5.617 -9.246 -11.295 1.00 1.00 C ATOM 460 CD LYS A 30 -6.202 -9.411 -12.700 1.00 1.00 C ATOM 461 CE LYS A 30 -7.662 -9.867 -12.635 1.00 1.00 C ATOM 462 NZ LYS A 30 -8.561 -8.702 -12.477 1.00 1.00 N ATOM 0 H LYS A 30 -2.826 -6.726 -10.763 1.00 1.00 H new ATOM 0 HA LYS A 30 -4.461 -8.620 -9.280 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -4.105 -7.860 -11.962 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -3.552 -9.519 -11.853 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.667 -10.196 -10.763 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.216 -8.532 -10.729 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -6.136 -8.466 -13.239 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -5.614 -10.139 -13.260 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -7.920 -10.413 -13.543 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -7.798 -10.555 -11.800 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -9.520 -9.032 -12.249 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -8.211 -8.095 -11.708 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -8.584 -8.158 -13.363 1.00 1.00 H new ATOM 476 N GLN A 31 -1.296 -9.004 -9.558 1.00 1.00 N ATOM 477 CA GLN A 31 -0.179 -9.786 -9.058 1.00 1.00 C ATOM 478 C GLN A 31 0.219 -9.310 -7.660 1.00 1.00 C ATOM 479 O GLN A 31 1.403 -9.151 -7.367 1.00 1.00 O ATOM 480 CB GLN A 31 1.010 -9.719 -10.019 1.00 1.00 C ATOM 481 CG GLN A 31 0.663 -10.352 -11.367 1.00 1.00 C ATOM 482 CD GLN A 31 1.710 -10.001 -12.425 1.00 1.00 C ATOM 483 OE1 GLN A 31 2.520 -10.818 -12.829 1.00 1.00 O ATOM 484 NE2 GLN A 31 1.650 -8.742 -12.849 1.00 1.00 N ATOM 0 H GLN A 31 -1.043 -8.089 -9.930 1.00 1.00 H new ATOM 0 HA GLN A 31 -0.492 -10.828 -8.990 1.00 1.00 H new ATOM 0 HB2 GLN A 31 1.305 -8.680 -10.166 1.00 1.00 H new ATOM 0 HB3 GLN A 31 1.865 -10.234 -9.581 1.00 1.00 H new ATOM 0 HG2 GLN A 31 0.600 -11.435 -11.258 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -0.318 -10.006 -11.693 1.00 1.00 H new ATOM 0 HE21 GLN A 31 0.946 -8.109 -12.469 1.00 1.00 H new ATOM 0 HE22 GLN A 31 2.308 -8.409 -13.554 1.00 1.00 H new ATOM 493 N GLN A 32 -0.794 -9.097 -6.831 1.00 1.00 N ATOM 494 CA GLN A 32 -0.617 -9.195 -5.393 1.00 1.00 C ATOM 495 C GLN A 32 -1.961 -9.027 -4.680 1.00 1.00 C ATOM 496 O GLN A 32 -2.143 -9.517 -3.567 1.00 1.00 O ATOM 497 CB GLN A 32 0.401 -8.168 -4.894 1.00 1.00 C ATOM 498 CG GLN A 32 0.076 -6.771 -5.427 1.00 1.00 C ATOM 499 CD GLN A 32 1.081 -5.739 -4.910 1.00 1.00 C ATOM 500 OE1 GLN A 32 2.125 -5.503 -5.496 1.00 1.00 O ATOM 501 NE2 GLN A 32 0.709 -5.140 -3.783 1.00 1.00 N ATOM 0 H GLN A 32 -1.740 -8.857 -7.129 1.00 1.00 H new ATOM 0 HA GLN A 32 -0.226 -10.186 -5.162 1.00 1.00 H new ATOM 0 HB2 GLN A 32 0.404 -8.154 -3.804 1.00 1.00 H new ATOM 0 HB3 GLN A 32 1.402 -8.459 -5.212 1.00 1.00 H new ATOM 0 HG2 GLN A 32 0.089 -6.782 -6.517 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -0.931 -6.487 -5.123 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -0.179 -5.385 -3.344 1.00 1.00 H new ATOM 0 HE22 GLN A 32 1.311 -4.435 -3.357 1.00 1.00 H new ATOM 510 N TYR A 33 -2.867 -8.332 -5.352 1.00 1.00 N ATOM 511 CA TYR A 33 -4.283 -8.465 -5.055 1.00 1.00 C ATOM 512 C TYR A 33 -5.022 -9.154 -6.203 1.00 1.00 C ATOM 513 O TYR A 33 -6.092 -8.708 -6.615 1.00 1.00 O ATOM 514 CB TYR A 33 -4.818 -7.040 -4.902 1.00 1.00 C ATOM 515 CG TYR A 33 -4.100 -6.217 -3.831 1.00 1.00 C ATOM 516 CD1 TYR A 33 -4.076 -6.658 -2.523 1.00 1.00 C ATOM 517 CD2 TYR A 33 -3.477 -5.034 -4.172 1.00 1.00 C ATOM 518 CE1 TYR A 33 -3.401 -5.883 -1.515 1.00 1.00 C ATOM 519 CE2 TYR A 33 -2.801 -4.259 -3.164 1.00 1.00 C ATOM 520 CZ TYR A 33 -2.796 -4.723 -1.885 1.00 1.00 C ATOM 521 OH TYR A 33 -2.158 -3.991 -0.932 1.00 1.00 O ATOM 0 H TYR A 33 -2.648 -7.675 -6.101 1.00 1.00 H new ATOM 0 HA TYR A 33 -4.432 -9.066 -4.158 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -4.732 -6.526 -5.859 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -5.880 -7.086 -4.659 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -4.563 -7.584 -2.256 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -3.496 -4.689 -5.195 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -3.376 -6.216 -0.488 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -2.310 -3.331 -3.417 1.00 1.00 H new ATOM 0 HH TYR A 33 -1.771 -3.188 -1.340 1.00 1.00 H new ATOM 531 N GLY A 34 -4.422 -10.231 -6.690 1.00 1.00 N ATOM 532 CA GLY A 34 -5.079 -11.076 -7.673 1.00 1.00 C ATOM 533 C GLY A 34 -6.519 -11.382 -7.256 1.00 1.00 C ATOM 534 O GLY A 34 -7.369 -11.655 -8.102 1.00 1.00 O ATOM 0 H GLY A 34 -3.487 -10.538 -6.422 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -5.075 -10.581 -8.644 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -4.524 -12.007 -7.787 1.00 1.00 H new ATOM 538 N LYS A 35 -6.748 -11.326 -5.952 1.00 1.00 N ATOM 539 CA LYS A 35 -8.089 -11.505 -5.420 1.00 1.00 C ATOM 540 C LYS A 35 -8.920 -10.254 -5.711 1.00 1.00 C ATOM 541 O LYS A 35 -9.288 -9.522 -4.792 1.00 1.00 O ATOM 542 CB LYS A 35 -8.031 -11.874 -3.937 1.00 1.00 C ATOM 543 CG LYS A 35 -7.396 -13.252 -3.738 1.00 1.00 C ATOM 544 CD LYS A 35 -7.285 -13.597 -2.253 1.00 1.00 C ATOM 545 CE LYS A 35 -6.641 -14.970 -2.054 1.00 1.00 C ATOM 546 NZ LYS A 35 -6.518 -15.283 -0.613 1.00 1.00 N ATOM 0 H LYS A 35 -6.028 -11.159 -5.249 1.00 1.00 H new ATOM 0 HA LYS A 35 -8.587 -12.340 -5.913 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -7.457 -11.123 -3.394 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -9.037 -11.870 -3.518 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -7.994 -14.008 -4.247 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -6.406 -13.269 -4.194 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -6.693 -12.837 -1.743 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -8.276 -13.587 -1.799 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -7.241 -15.734 -2.548 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -5.656 -14.987 -2.521 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -6.079 -16.219 -0.497 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -5.927 -14.563 -0.151 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -7.462 -15.287 -0.177 1.00 1.00 H new ATOM 560 N GLY A 36 -9.193 -10.047 -6.990 1.00 1.00 N ATOM 561 CA GLY A 36 -10.221 -9.103 -7.393 1.00 1.00 C ATOM 562 C GLY A 36 -9.675 -7.674 -7.414 1.00 1.00 C ATOM 563 O GLY A 36 -10.079 -6.840 -6.606 1.00 1.00 O ATOM 0 H GLY A 36 -8.720 -10.517 -7.762 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -10.595 -9.368 -8.382 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -11.065 -9.164 -6.706 1.00 1.00 H new ATOM 567 N ALA A 37 -8.766 -7.435 -8.348 1.00 1.00 N ATOM 568 CA ALA A 37 -8.327 -6.081 -8.637 1.00 1.00 C ATOM 569 C ALA A 37 -8.912 -5.636 -9.979 1.00 1.00 C ATOM 570 O ALA A 37 -8.949 -6.411 -10.933 1.00 1.00 O ATOM 571 CB ALA A 37 -6.798 -6.024 -8.621 1.00 1.00 C ATOM 0 H ALA A 37 -8.321 -8.157 -8.915 1.00 1.00 H new ATOM 0 HA ALA A 37 -8.687 -5.391 -7.874 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -6.470 -5.008 -8.838 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -6.433 -6.321 -7.638 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -6.401 -6.703 -9.376 1.00 1.00 H new ATOM 577 N GLY A 38 -9.355 -4.387 -10.010 1.00 1.00 N ATOM 578 CA GLY A 38 -10.047 -3.867 -11.177 1.00 1.00 C ATOM 579 C GLY A 38 -9.514 -2.485 -11.559 1.00 1.00 C ATOM 580 O GLY A 38 -9.961 -1.894 -12.541 1.00 1.00 O ATOM 0 H GLY A 38 -9.248 -3.720 -9.245 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -9.922 -4.553 -12.014 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -11.116 -3.805 -10.973 1.00 1.00 H new ATOM 584 N GLY A 39 -8.566 -2.011 -10.764 1.00 1.00 N ATOM 585 CA GLY A 39 -8.073 -0.652 -10.916 1.00 1.00 C ATOM 586 C GLY A 39 -7.363 -0.474 -12.261 1.00 1.00 C ATOM 587 O GLY A 39 -7.400 -1.365 -13.109 1.00 1.00 O ATOM 0 H GLY A 39 -8.126 -2.543 -10.013 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -8.903 0.050 -10.843 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -7.385 -0.418 -10.104 1.00 1.00 H new ATOM 591 N TYR A 40 -6.736 0.683 -12.414 1.00 1.00 N ATOM 592 CA TYR A 40 -6.504 1.239 -13.736 1.00 1.00 C ATOM 593 C TYR A 40 -5.552 2.435 -13.668 1.00 1.00 C ATOM 594 O TYR A 40 -5.104 2.815 -12.588 1.00 1.00 O ATOM 595 CB TYR A 40 -7.868 1.715 -14.240 1.00 1.00 C ATOM 596 CG TYR A 40 -8.743 2.349 -13.157 1.00 1.00 C ATOM 597 CD1 TYR A 40 -8.337 3.509 -12.531 1.00 1.00 C ATOM 598 CD2 TYR A 40 -9.941 1.759 -12.807 1.00 1.00 C ATOM 599 CE1 TYR A 40 -9.161 4.106 -11.512 1.00 1.00 C ATOM 600 CE2 TYR A 40 -10.766 2.356 -11.788 1.00 1.00 C ATOM 601 CZ TYR A 40 -10.335 3.499 -11.191 1.00 1.00 C ATOM 602 OH TYR A 40 -11.114 4.063 -10.229 1.00 1.00 O ATOM 0 H TYR A 40 -6.381 1.251 -11.644 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.054 0.494 -14.392 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -7.716 2.439 -15.040 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.400 0.868 -14.673 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.400 3.970 -12.805 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -10.259 0.851 -13.297 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -8.854 5.014 -11.015 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -11.706 1.906 -11.505 1.00 1.00 H new ATOM 0 HH TYR A 40 -11.922 3.523 -10.104 1.00 1.00 H new ATOM 612 N CYS A 41 -5.274 2.995 -14.836 1.00 1.00 N ATOM 613 CA CYS A 41 -4.360 4.122 -14.926 1.00 1.00 C ATOM 614 C CYS A 41 -5.187 5.409 -14.960 1.00 1.00 C ATOM 615 O CYS A 41 -5.831 5.711 -15.963 1.00 1.00 O ATOM 616 CB CYS A 41 -3.436 4.006 -16.140 1.00 1.00 C ATOM 617 SG CYS A 41 -2.087 2.783 -15.962 1.00 1.00 S ATOM 0 H CYS A 41 -5.665 2.690 -15.727 1.00 1.00 H new ATOM 0 HA CYS A 41 -3.706 4.133 -14.054 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -4.035 3.741 -17.011 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -2.997 4.984 -16.340 1.00 1.00 H new ATOM 622 N TYR A 42 -5.140 6.133 -13.851 1.00 1.00 N ATOM 623 CA TYR A 42 -5.687 7.479 -13.813 1.00 1.00 C ATOM 624 C TYR A 42 -4.683 8.494 -14.362 1.00 1.00 C ATOM 625 O TYR A 42 -3.710 8.120 -15.015 1.00 1.00 O ATOM 626 CB TYR A 42 -5.949 7.786 -12.337 1.00 1.00 C ATOM 627 CG TYR A 42 -7.412 8.099 -12.018 1.00 1.00 C ATOM 628 CD1 TYR A 42 -8.160 8.866 -12.889 1.00 1.00 C ATOM 629 CD2 TYR A 42 -7.985 7.617 -10.859 1.00 1.00 C ATOM 630 CE1 TYR A 42 -9.537 9.162 -12.588 1.00 1.00 C ATOM 631 CE2 TYR A 42 -9.361 7.913 -10.558 1.00 1.00 C ATOM 632 CZ TYR A 42 -10.069 8.670 -11.437 1.00 1.00 C ATOM 633 OH TYR A 42 -11.370 8.950 -11.153 1.00 1.00 O ATOM 0 H TYR A 42 -4.732 5.813 -12.973 1.00 1.00 H new ATOM 0 HA TYR A 42 -6.590 7.544 -14.420 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -5.631 6.933 -11.737 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -5.333 8.634 -12.038 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -7.712 9.244 -13.796 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -7.401 7.017 -10.177 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -10.133 9.761 -13.261 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -9.821 7.542 -9.654 1.00 1.00 H new ATOM 0 HH TYR A 42 -11.616 8.533 -10.301 1.00 1.00 H new ATOM 643 N ALA A 43 -4.953 9.760 -14.076 1.00 1.00 N ATOM 644 CA ALA A 43 -4.070 10.829 -14.510 1.00 1.00 C ATOM 645 C ALA A 43 -2.644 10.525 -14.048 1.00 1.00 C ATOM 646 O ALA A 43 -2.234 10.949 -12.968 1.00 1.00 O ATOM 647 CB ALA A 43 -4.585 12.165 -13.971 1.00 1.00 C ATOM 0 H ALA A 43 -5.770 10.069 -13.549 1.00 1.00 H new ATOM 0 HA ALA A 43 -4.056 10.899 -15.598 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -3.923 12.968 -14.296 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -5.590 12.347 -14.351 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -4.609 12.133 -12.882 1.00 1.00 H new ATOM 653 N PHE A 44 -1.926 9.795 -14.888 1.00 1.00 N ATOM 654 CA PHE A 44 -0.510 9.566 -14.660 1.00 1.00 C ATOM 655 C PHE A 44 -0.264 9.004 -13.258 1.00 1.00 C ATOM 656 O PHE A 44 0.694 9.389 -12.590 1.00 1.00 O ATOM 657 CB PHE A 44 0.188 10.922 -14.783 1.00 1.00 C ATOM 658 CG PHE A 44 -0.189 11.705 -16.042 1.00 1.00 C ATOM 659 CD1 PHE A 44 0.179 11.239 -17.266 1.00 1.00 C ATOM 660 CD2 PHE A 44 -0.891 12.864 -15.938 1.00 1.00 C ATOM 661 CE1 PHE A 44 -0.171 11.966 -18.435 1.00 1.00 C ATOM 662 CE2 PHE A 44 -1.241 13.590 -17.107 1.00 1.00 C ATOM 663 CZ PHE A 44 -0.873 13.126 -18.331 1.00 1.00 C ATOM 0 H PHE A 44 -2.299 9.354 -15.729 1.00 1.00 H new ATOM 0 HA PHE A 44 -0.129 8.845 -15.383 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -0.054 11.524 -13.907 1.00 1.00 H new ATOM 0 HB3 PHE A 44 1.267 10.766 -14.774 1.00 1.00 H new ATOM 0 HD1 PHE A 44 0.736 10.318 -17.349 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -1.183 13.233 -14.966 1.00 1.00 H new ATOM 0 HE1 PHE A 44 0.121 11.597 -19.407 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -1.799 14.511 -17.024 1.00 1.00 H new ATOM 0 HZ PHE A 44 -1.138 13.679 -19.220 1.00 1.00 H new ATOM 673 N ALA A 45 -1.145 8.100 -12.854 1.00 1.00 N ATOM 674 CA ALA A 45 -0.884 7.266 -11.695 1.00 1.00 C ATOM 675 C ALA A 45 -1.812 6.050 -11.727 1.00 1.00 C ATOM 676 O ALA A 45 -2.954 6.148 -12.173 1.00 1.00 O ATOM 677 CB ALA A 45 -1.053 8.094 -10.420 1.00 1.00 C ATOM 0 H ALA A 45 -2.041 7.928 -13.310 1.00 1.00 H new ATOM 0 HA ALA A 45 0.142 6.899 -11.711 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -0.857 7.467 -9.550 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -0.351 8.928 -10.432 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -2.072 8.478 -10.368 1.00 1.00 H new ATOM 683 N CYS A 46 -1.287 4.931 -11.250 1.00 1.00 N ATOM 684 CA CYS A 46 -2.083 3.721 -11.135 1.00 1.00 C ATOM 685 C CYS A 46 -2.771 3.726 -9.769 1.00 1.00 C ATOM 686 O CYS A 46 -2.125 3.941 -8.745 1.00 1.00 O ATOM 687 CB CYS A 46 -1.233 2.464 -11.341 1.00 1.00 C ATOM 688 SG CYS A 46 -0.591 2.242 -13.041 1.00 1.00 S ATOM 0 H CYS A 46 -0.320 4.837 -10.939 1.00 1.00 H new ATOM 0 HA CYS A 46 -2.838 3.703 -11.921 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -0.390 2.495 -10.651 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -1.830 1.591 -11.076 1.00 1.00 H new ATOM 693 N TRP A 47 -4.073 3.487 -9.798 1.00 1.00 N ATOM 694 CA TRP A 47 -4.864 3.499 -8.578 1.00 1.00 C ATOM 695 C TRP A 47 -5.684 2.208 -8.535 1.00 1.00 C ATOM 696 O TRP A 47 -6.320 1.838 -9.521 1.00 1.00 O ATOM 697 CB TRP A 47 -5.727 4.759 -8.496 1.00 1.00 C ATOM 698 CG TRP A 47 -6.722 4.757 -7.333 1.00 1.00 C ATOM 699 CD1 TRP A 47 -7.751 3.922 -7.129 1.00 1.00 C ATOM 700 CD2 TRP A 47 -6.741 5.670 -6.216 1.00 1.00 C ATOM 701 NE1 TRP A 47 -8.428 4.230 -5.967 1.00 1.00 N ATOM 702 CE2 TRP A 47 -7.795 5.327 -5.394 1.00 1.00 C ATOM 703 CE3 TRP A 47 -5.896 6.751 -5.910 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -8.101 6.012 -4.213 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -6.215 7.427 -4.727 1.00 1.00 C ATOM 706 CH2 TRP A 47 -7.272 7.094 -3.888 1.00 1.00 C ATOM 0 H TRP A 47 -4.601 3.284 -10.647 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.219 3.532 -7.700 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.075 5.628 -8.402 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.276 4.872 -9.431 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.016 3.111 -7.791 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -9.243 3.742 -5.596 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -5.066 7.037 -6.539 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -8.931 5.722 -3.586 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -5.596 8.267 -4.446 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -7.453 7.666 -2.990 1.00 1.00 H new ATOM 717 N CYS A 48 -5.644 1.558 -7.381 1.00 1.00 N ATOM 718 CA CYS A 48 -6.360 0.307 -7.202 1.00 1.00 C ATOM 719 C CYS A 48 -7.619 0.588 -6.376 1.00 1.00 C ATOM 720 O CYS A 48 -7.597 1.417 -5.468 1.00 1.00 O ATOM 721 CB CYS A 48 -5.480 -0.763 -6.554 1.00 1.00 C ATOM 722 SG CYS A 48 -4.182 -1.454 -7.643 1.00 1.00 S ATOM 0 H CYS A 48 -5.127 1.875 -6.561 1.00 1.00 H new ATOM 0 HA CYS A 48 -6.646 -0.093 -8.175 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -5.004 -0.336 -5.671 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -6.117 -1.578 -6.210 1.00 1.00 H new ATOM 727 N THR A 49 -8.684 -0.119 -6.721 1.00 1.00 N ATOM 728 CA THR A 49 -10.016 0.282 -6.300 1.00 1.00 C ATOM 729 C THR A 49 -10.953 -0.928 -6.271 1.00 1.00 C ATOM 730 O THR A 49 -11.954 -0.959 -6.985 1.00 1.00 O ATOM 731 CB THR A 49 -10.492 1.396 -7.234 1.00 1.00 C ATOM 732 OG1 THR A 49 -11.886 1.506 -6.961 1.00 1.00 O ATOM 733 CG2 THR A 49 -10.432 0.990 -8.709 1.00 1.00 C ATOM 0 H THR A 49 -8.652 -0.967 -7.287 1.00 1.00 H new ATOM 0 HA THR A 49 -10.008 0.672 -5.282 1.00 1.00 H new ATOM 0 HB THR A 49 -9.882 2.286 -7.077 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.349 0.710 -7.296 1.00 1.00 H new ATOM 0 HG21 THR A 49 -10.781 1.816 -9.328 1.00 1.00 H new ATOM 0 HG22 THR A 49 -9.405 0.744 -8.977 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.068 0.120 -8.873 1.00 1.00 H new ATOM 741 N HIS A 50 -10.594 -1.894 -5.439 1.00 1.00 N ATOM 742 CA HIS A 50 -11.333 -3.143 -5.378 1.00 1.00 C ATOM 743 C HIS A 50 -10.775 -4.016 -4.253 1.00 1.00 C ATOM 744 O HIS A 50 -10.681 -5.234 -4.396 1.00 1.00 O ATOM 745 CB HIS A 50 -11.322 -3.847 -6.736 1.00 1.00 C ATOM 746 CG HIS A 50 -12.463 -4.816 -6.935 1.00 1.00 C ATOM 747 ND1 HIS A 50 -12.642 -5.936 -6.143 1.00 1.00 N ATOM 748 CD2 HIS A 50 -13.480 -4.821 -7.844 1.00 1.00 C ATOM 749 CE1 HIS A 50 -13.721 -6.579 -6.564 1.00 1.00 C ATOM 750 NE2 HIS A 50 -14.239 -5.887 -7.619 1.00 1.00 N ATOM 0 H HIS A 50 -9.800 -1.837 -4.801 1.00 1.00 H new ATOM 0 HA HIS A 50 -12.379 -2.940 -5.147 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -11.356 -3.095 -7.524 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -10.380 -4.383 -6.848 1.00 1.00 H new ATOM 0 HD1 HIS A 50 -12.044 -6.219 -5.366 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -13.641 -4.083 -8.616 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -14.120 -7.491 -6.145 1.00 1.00 H new ATOM 758 N LEU A 51 -10.420 -3.360 -3.158 1.00 1.00 N ATOM 759 CA LEU A 51 -9.480 -3.935 -2.213 1.00 1.00 C ATOM 760 C LEU A 51 -10.198 -4.212 -0.890 1.00 1.00 C ATOM 761 O LEU A 51 -11.335 -3.787 -0.696 1.00 1.00 O ATOM 762 CB LEU A 51 -8.248 -3.039 -2.068 1.00 1.00 C ATOM 763 CG LEU A 51 -7.467 -2.760 -3.353 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.738 -1.417 -3.271 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.511 -3.911 -3.673 1.00 1.00 C ATOM 0 H LEU A 51 -10.767 -2.435 -2.905 1.00 1.00 H new ATOM 0 HA LEU A 51 -9.108 -4.891 -2.581 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -8.564 -2.086 -1.644 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.571 -3.499 -1.348 1.00 1.00 H new ATOM 0 HG LEU A 51 -8.178 -2.691 -4.177 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -6.191 -1.243 -4.197 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -7.464 -0.617 -3.123 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -6.040 -1.433 -2.434 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -5.968 -3.688 -4.591 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -5.803 -4.035 -2.853 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -7.080 -4.831 -3.803 1.00 1.00 H new ATOM 777 N TYR A 52 -9.504 -4.924 -0.015 1.00 1.00 N ATOM 778 CA TYR A 52 -10.016 -5.171 1.323 1.00 1.00 C ATOM 779 C TYR A 52 -9.230 -4.376 2.367 1.00 1.00 C ATOM 780 O TYR A 52 -8.375 -3.563 2.019 1.00 1.00 O ATOM 781 CB TYR A 52 -9.817 -6.666 1.581 1.00 1.00 C ATOM 782 CG TYR A 52 -8.867 -7.346 0.594 1.00 1.00 C ATOM 783 CD1 TYR A 52 -7.503 -7.288 0.797 1.00 1.00 C ATOM 784 CD2 TYR A 52 -9.374 -8.020 -0.500 1.00 1.00 C ATOM 785 CE1 TYR A 52 -6.609 -7.929 -0.133 1.00 1.00 C ATOM 786 CE2 TYR A 52 -8.479 -8.661 -1.428 1.00 1.00 C ATOM 787 CZ TYR A 52 -7.141 -8.584 -1.200 1.00 1.00 C ATOM 788 OH TYR A 52 -6.296 -9.188 -2.077 1.00 1.00 O ATOM 0 H TYR A 52 -8.592 -5.338 -0.206 1.00 1.00 H new ATOM 0 HA TYR A 52 -11.061 -4.869 1.396 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -9.433 -6.802 2.592 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -10.786 -7.164 1.539 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -7.106 -6.762 1.653 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -10.441 -8.066 -0.659 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -5.540 -7.890 0.014 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -8.862 -9.192 -2.287 1.00 1.00 H new ATOM 0 HH TYR A 52 -5.486 -9.476 -1.606 1.00 1.00 H new ATOM 798 N GLU A 53 -9.547 -4.639 3.626 1.00 1.00 N ATOM 799 CA GLU A 53 -8.949 -3.892 4.720 1.00 1.00 C ATOM 800 C GLU A 53 -7.427 -4.036 4.692 1.00 1.00 C ATOM 801 O GLU A 53 -6.710 -3.196 5.234 1.00 1.00 O ATOM 802 CB GLU A 53 -9.519 -4.343 6.067 1.00 1.00 C ATOM 803 CG GLU A 53 -11.002 -3.989 6.182 1.00 1.00 C ATOM 804 CD GLU A 53 -11.881 -5.145 5.699 1.00 1.00 C ATOM 805 OE1 GLU A 53 -12.015 -5.278 4.464 1.00 1.00 O ATOM 806 OE2 GLU A 53 -12.398 -5.869 6.577 1.00 1.00 O ATOM 0 H GLU A 53 -10.210 -5.359 3.913 1.00 1.00 H new ATOM 0 HA GLU A 53 -9.196 -2.838 4.593 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -9.389 -5.419 6.179 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -8.965 -3.869 6.877 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -11.244 -3.752 7.218 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -11.213 -3.096 5.593 1.00 1.00 H new ATOM 813 N GLN A 54 -6.977 -5.107 4.055 1.00 1.00 N ATOM 814 CA GLN A 54 -5.552 -5.326 3.872 1.00 1.00 C ATOM 815 C GLN A 54 -5.092 -4.739 2.536 1.00 1.00 C ATOM 816 O GLN A 54 -4.197 -5.283 1.890 1.00 1.00 O ATOM 817 CB GLN A 54 -5.209 -6.814 3.964 1.00 1.00 C ATOM 818 CG GLN A 54 -5.171 -7.279 5.422 1.00 1.00 C ATOM 819 CD GLN A 54 -3.957 -6.699 6.150 1.00 1.00 C ATOM 820 OE1 GLN A 54 -2.968 -6.311 5.550 1.00 1.00 O ATOM 821 NE2 GLN A 54 -4.086 -6.665 7.473 1.00 1.00 N ATOM 0 H GLN A 54 -7.574 -5.833 3.659 1.00 1.00 H new ATOM 0 HA GLN A 54 -5.020 -4.814 4.674 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -5.947 -7.396 3.412 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -4.243 -6.998 3.495 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -6.085 -6.971 5.930 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -5.136 -8.368 5.460 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -4.942 -7.006 7.911 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -3.329 -6.298 8.050 1.00 1.00 H new ATOM 830 N ALA A 55 -5.725 -3.638 2.160 1.00 1.00 N ATOM 831 CA ALA A 55 -5.143 -2.738 1.179 1.00 1.00 C ATOM 832 C ALA A 55 -3.877 -2.108 1.760 1.00 1.00 C ATOM 833 O ALA A 55 -3.903 -1.548 2.855 1.00 1.00 O ATOM 834 CB ALA A 55 -6.181 -1.691 0.768 1.00 1.00 C ATOM 0 H ALA A 55 -6.636 -3.348 2.517 1.00 1.00 H new ATOM 0 HA ALA A 55 -4.856 -3.283 0.280 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -5.745 -1.016 0.032 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -7.048 -2.189 0.334 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -6.490 -1.122 1.645 1.00 1.00 H new ATOM 840 N ILE A 56 -2.797 -2.219 0.999 1.00 1.00 N ATOM 841 CA ILE A 56 -1.579 -1.493 1.319 1.00 1.00 C ATOM 842 C ILE A 56 -1.305 -0.460 0.225 1.00 1.00 C ATOM 843 O ILE A 56 -1.176 -0.810 -0.947 1.00 1.00 O ATOM 844 CB ILE A 56 -0.421 -2.465 1.551 1.00 1.00 C ATOM 845 CG1 ILE A 56 -0.853 -3.629 2.446 1.00 1.00 C ATOM 846 CG2 ILE A 56 0.804 -1.737 2.107 1.00 1.00 C ATOM 847 CD1 ILE A 56 -1.044 -3.166 3.891 1.00 1.00 C ATOM 0 H ILE A 56 -2.740 -2.800 0.163 1.00 1.00 H new ATOM 0 HA ILE A 56 -1.696 -0.945 2.254 1.00 1.00 H new ATOM 0 HB ILE A 56 -0.133 -2.889 0.589 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -1.783 -4.055 2.071 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -0.103 -4.419 2.409 1.00 1.00 H new ATOM 0 HG21 ILE A 56 1.612 -2.452 2.263 1.00 1.00 H new ATOM 0 HG22 ILE A 56 1.126 -0.973 1.399 1.00 1.00 H new ATOM 0 HG23 ILE A 56 0.548 -1.267 3.056 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -1.351 -4.012 4.506 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -0.105 -2.762 4.271 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -1.812 -2.393 3.927 1.00 1.00 H new ATOM 859 N VAL A 57 -1.224 0.794 0.646 1.00 1.00 N ATOM 860 CA VAL A 57 -1.185 1.900 -0.295 1.00 1.00 C ATOM 861 C VAL A 57 -0.086 2.880 0.119 1.00 1.00 C ATOM 862 O VAL A 57 0.208 3.021 1.305 1.00 1.00 O ATOM 863 CB VAL A 57 -2.565 2.554 -0.390 1.00 1.00 C ATOM 864 CG1 VAL A 57 -3.427 2.195 0.822 1.00 1.00 C ATOM 865 CG2 VAL A 57 -2.443 4.071 -0.547 1.00 1.00 C ATOM 0 H VAL A 57 -1.184 1.068 1.628 1.00 1.00 H new ATOM 0 HA VAL A 57 -0.940 1.542 -1.295 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.060 2.164 -1.279 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -4.402 2.673 0.729 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -3.556 1.114 0.869 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -2.938 2.542 1.732 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.438 4.511 -0.612 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.919 4.485 0.314 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.885 4.299 -1.455 1.00 1.00 H new ATOM 875 N TRP A 58 0.489 3.531 -0.880 1.00 1.00 N ATOM 876 CA TRP A 58 1.731 4.259 -0.681 1.00 1.00 C ATOM 877 C TRP A 58 1.484 5.333 0.379 1.00 1.00 C ATOM 878 O TRP A 58 0.362 5.811 0.535 1.00 1.00 O ATOM 879 CB TRP A 58 2.248 4.832 -2.003 1.00 1.00 C ATOM 880 CG TRP A 58 3.516 5.676 -1.862 1.00 1.00 C ATOM 881 CD1 TRP A 58 4.789 5.284 -2.013 1.00 1.00 C ATOM 882 CD2 TRP A 58 3.583 7.079 -1.533 1.00 1.00 C ATOM 883 NE1 TRP A 58 5.667 6.328 -1.807 1.00 1.00 N ATOM 884 CE2 TRP A 58 4.911 7.455 -1.506 1.00 1.00 C ATOM 885 CE3 TRP A 58 2.556 8.002 -1.268 1.00 1.00 C ATOM 886 CZ2 TRP A 58 5.334 8.758 -1.217 1.00 1.00 C ATOM 887 CZ3 TRP A 58 2.995 9.300 -0.982 1.00 1.00 C ATOM 888 CH2 TRP A 58 4.327 9.693 -0.950 1.00 1.00 C ATOM 0 H TRP A 58 0.119 3.570 -1.830 1.00 1.00 H new ATOM 0 HA TRP A 58 2.517 3.592 -0.325 1.00 1.00 H new ATOM 0 HB2 TRP A 58 2.446 4.010 -2.691 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.465 5.443 -2.453 1.00 1.00 H new ATOM 0 HD1 TRP A 58 5.089 4.278 -2.264 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.684 6.281 -1.865 1.00 1.00 H new ATOM 0 HE3 TRP A 58 1.511 7.731 -1.284 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 6.380 9.027 -1.201 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 2.245 10.049 -0.771 1.00 1.00 H new ATOM 0 HH2 TRP A 58 4.585 10.716 -0.720 1.00 1.00 H new ATOM 899 N PRO A 59 2.580 5.690 1.101 1.00 1.00 N ATOM 900 CA PRO A 59 3.773 4.861 1.111 1.00 1.00 C ATOM 901 C PRO A 59 3.567 3.616 1.976 1.00 1.00 C ATOM 902 O PRO A 59 2.480 3.399 2.509 1.00 1.00 O ATOM 903 CB PRO A 59 4.879 5.766 1.629 1.00 1.00 C ATOM 904 CG PRO A 59 4.179 6.923 2.325 1.00 1.00 C ATOM 905 CD PRO A 59 2.713 6.890 1.924 1.00 1.00 C ATOM 0 HA PRO A 59 4.024 4.474 0.123 1.00 1.00 H new ATOM 0 HB2 PRO A 59 5.530 5.231 2.320 1.00 1.00 H new ATOM 0 HB3 PRO A 59 5.506 6.123 0.812 1.00 1.00 H new ATOM 0 HG2 PRO A 59 4.281 6.836 3.407 1.00 1.00 H new ATOM 0 HG3 PRO A 59 4.632 7.872 2.038 1.00 1.00 H new ATOM 0 HD2 PRO A 59 2.064 6.844 2.799 1.00 1.00 H new ATOM 0 HD3 PRO A 59 2.435 7.785 1.367 1.00 1.00 H new ATOM 913 N LEU A 60 4.628 2.829 2.088 1.00 1.00 N ATOM 914 CA LEU A 60 4.683 1.787 3.099 1.00 1.00 C ATOM 915 C LEU A 60 4.936 2.423 4.467 1.00 1.00 C ATOM 916 O LEU A 60 5.567 3.475 4.560 1.00 1.00 O ATOM 917 CB LEU A 60 5.713 0.724 2.716 1.00 1.00 C ATOM 918 CG LEU A 60 5.530 0.076 1.342 1.00 1.00 C ATOM 919 CD1 LEU A 60 6.877 -0.120 0.642 1.00 1.00 C ATOM 920 CD2 LEU A 60 4.746 -1.234 1.453 1.00 1.00 C ATOM 0 H LEU A 60 5.456 2.892 1.495 1.00 1.00 H new ATOM 0 HA LEU A 60 3.728 1.265 3.161 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.704 1.177 2.753 1.00 1.00 H new ATOM 0 HB3 LEU A 60 5.693 -0.061 3.472 1.00 1.00 H new ATOM 0 HG LEU A 60 4.941 0.753 0.722 1.00 1.00 H new ATOM 0 HD11 LEU A 60 6.717 -0.582 -0.332 1.00 1.00 H new ATOM 0 HD12 LEU A 60 7.362 0.847 0.509 1.00 1.00 H new ATOM 0 HD13 LEU A 60 7.512 -0.765 1.249 1.00 1.00 H new ATOM 0 HD21 LEU A 60 4.630 -1.674 0.462 1.00 1.00 H new ATOM 0 HD22 LEU A 60 5.286 -1.928 2.097 1.00 1.00 H new ATOM 0 HD23 LEU A 60 3.763 -1.035 1.879 1.00 1.00 H new ATOM 932 N PRO A 61 4.418 1.740 5.523 1.00 1.00 N ATOM 933 CA PRO A 61 4.095 2.417 6.768 1.00 1.00 C ATOM 934 C PRO A 61 5.363 2.747 7.558 1.00 1.00 C ATOM 935 O PRO A 61 5.430 3.776 8.228 1.00 1.00 O ATOM 936 CB PRO A 61 3.167 1.467 7.504 1.00 1.00 C ATOM 937 CG PRO A 61 3.374 0.103 6.864 1.00 1.00 C ATOM 938 CD PRO A 61 4.129 0.309 5.561 1.00 1.00 C ATOM 0 HA PRO A 61 3.611 3.381 6.609 1.00 1.00 H new ATOM 0 HB2 PRO A 61 3.401 1.439 8.568 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.129 1.787 7.414 1.00 1.00 H new ATOM 0 HG2 PRO A 61 3.936 -0.550 7.531 1.00 1.00 H new ATOM 0 HG3 PRO A 61 2.415 -0.380 6.677 1.00 1.00 H new ATOM 0 HD2 PRO A 61 5.045 -0.281 5.537 1.00 1.00 H new ATOM 0 HD3 PRO A 61 3.530 0.003 4.703 1.00 1.00 H new ATOM 946 N ASN A 62 6.337 1.854 7.452 1.00 1.00 N ATOM 947 CA ASN A 62 7.654 2.115 8.008 1.00 1.00 C ATOM 948 C ASN A 62 8.711 1.414 7.153 1.00 1.00 C ATOM 949 O ASN A 62 9.572 0.710 7.677 1.00 1.00 O ATOM 950 CB ASN A 62 7.766 1.574 9.435 1.00 1.00 C ATOM 951 CG ASN A 62 7.229 0.144 9.523 1.00 1.00 C ATOM 952 OD1 ASN A 62 7.942 -0.827 9.331 1.00 1.00 O ATOM 953 ND2 ASN A 62 5.936 0.070 9.824 1.00 1.00 N ATOM 0 H ASN A 62 6.240 0.950 6.990 1.00 1.00 H new ATOM 0 HA ASN A 62 7.809 3.194 8.018 1.00 1.00 H new ATOM 0 HB2 ASN A 62 8.808 1.595 9.755 1.00 1.00 H new ATOM 0 HB3 ASN A 62 7.210 2.218 10.116 1.00 1.00 H new ATOM 0 HD21 ASN A 62 5.483 -0.840 9.907 1.00 1.00 H new ATOM 0 HD22 ASN A 62 5.397 0.923 9.972 1.00 1.00 H new ATOM 960 N LYS A 63 8.610 1.632 5.850 1.00 1.00 N ATOM 961 CA LYS A 63 9.683 1.257 4.943 1.00 1.00 C ATOM 962 C LYS A 63 9.375 1.794 3.544 1.00 1.00 C ATOM 963 O LYS A 63 9.272 1.026 2.589 1.00 1.00 O ATOM 964 CB LYS A 63 9.915 -0.255 4.985 1.00 1.00 C ATOM 965 CG LYS A 63 8.589 -1.015 4.904 1.00 1.00 C ATOM 966 CD LYS A 63 8.786 -2.497 5.230 1.00 1.00 C ATOM 967 CE LYS A 63 8.372 -2.802 6.671 1.00 1.00 C ATOM 968 NZ LYS A 63 9.289 -2.140 7.625 1.00 1.00 N ATOM 0 H LYS A 63 7.802 2.063 5.400 1.00 1.00 H new ATOM 0 HA LYS A 63 10.623 1.710 5.257 1.00 1.00 H new ATOM 0 HB2 LYS A 63 10.559 -0.551 4.157 1.00 1.00 H new ATOM 0 HB3 LYS A 63 10.436 -0.521 5.905 1.00 1.00 H new ATOM 0 HG2 LYS A 63 7.872 -0.578 5.599 1.00 1.00 H new ATOM 0 HG3 LYS A 63 8.167 -0.912 3.904 1.00 1.00 H new ATOM 0 HD2 LYS A 63 8.198 -3.105 4.543 1.00 1.00 H new ATOM 0 HD3 LYS A 63 9.831 -2.769 5.083 1.00 1.00 H new ATOM 0 HE2 LYS A 63 7.351 -2.461 6.842 1.00 1.00 H new ATOM 0 HE3 LYS A 63 8.380 -3.879 6.838 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 9.430 -2.753 8.454 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 10.205 -1.967 7.163 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 8.878 -1.234 7.930 1.00 1.00 H new ATOM 982 N ARG A 64 9.235 3.109 3.469 1.00 1.00 N ATOM 983 CA ARG A 64 9.078 3.772 2.185 1.00 1.00 C ATOM 984 C ARG A 64 10.364 3.651 1.364 1.00 1.00 C ATOM 985 O ARG A 64 11.386 3.191 1.870 1.00 1.00 O ATOM 986 CB ARG A 64 8.735 5.251 2.367 1.00 1.00 C ATOM 987 CG ARG A 64 9.866 5.992 3.084 1.00 1.00 C ATOM 988 CD ARG A 64 9.877 7.475 2.704 1.00 1.00 C ATOM 989 NE ARG A 64 11.271 7.957 2.587 1.00 1.00 N ATOM 990 CZ ARG A 64 11.966 8.497 3.598 1.00 1.00 C ATOM 991 NH1 ARG A 64 11.513 8.392 4.854 1.00 1.00 N ATOM 992 NH2 ARG A 64 13.115 9.142 3.352 1.00 1.00 N ATOM 0 H ARG A 64 9.227 3.733 4.276 1.00 1.00 H new ATOM 0 HA ARG A 64 8.259 3.283 1.658 1.00 1.00 H new ATOM 0 HB2 ARG A 64 8.555 5.709 1.394 1.00 1.00 H new ATOM 0 HB3 ARG A 64 7.813 5.346 2.940 1.00 1.00 H new ATOM 0 HG2 ARG A 64 9.746 5.890 4.163 1.00 1.00 H new ATOM 0 HG3 ARG A 64 10.823 5.539 2.826 1.00 1.00 H new ATOM 0 HD2 ARG A 64 9.353 7.621 1.760 1.00 1.00 H new ATOM 0 HD3 ARG A 64 9.345 8.056 3.457 1.00 1.00 H new ATOM 0 HE ARG A 64 11.732 7.873 1.681 1.00 1.00 H new ATOM 0 HH11 ARG A 64 10.639 7.901 5.041 1.00 1.00 H new ATOM 0 HH12 ARG A 64 12.042 8.803 5.623 1.00 1.00 H new ATOM 0 HH21 ARG A 64 13.460 9.222 2.396 1.00 1.00 H new ATOM 0 HH22 ARG A 64 13.644 9.553 4.121 1.00 1.00 H new ATOM 1006 N CYS A 65 10.270 4.071 0.111 1.00 1.00 N ATOM 1007 CA CYS A 65 11.456 4.271 -0.703 1.00 1.00 C ATOM 1008 C CYS A 65 12.269 5.416 -0.093 1.00 1.00 C ATOM 1009 O CYS A 65 11.702 6.384 0.413 1.00 1.00 O ATOM 1010 CB CYS A 65 11.101 4.539 -2.166 1.00 1.00 C ATOM 1011 SG CYS A 65 12.453 4.217 -3.356 1.00 1.00 S ATOM 0 H CYS A 65 9.390 4.278 -0.360 1.00 1.00 H new ATOM 0 HA CYS A 65 12.056 3.361 -0.705 1.00 1.00 H new ATOM 0 HB2 CYS A 65 10.244 3.922 -2.436 1.00 1.00 H new ATOM 0 HB3 CYS A 65 10.789 5.579 -2.265 1.00 1.00 H new