USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 581 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 37 THR OG1 : rot 170:sc= 0 USER MOD Set 1.2: A 39 HIS : no HD1:sc= 0 X(o=0,f=0.11) USER MOD Set 2.1: A 29 ASN : amide:sc= 0.731 X(o=1.6,f=1.7) USER MOD Set 2.2: A 30 SER OG : rot 52:sc= 0.86 USER MOD Set 3.1: A 9 TYR OH : rot 180:sc= 0.94 USER MOD Set 3.2: A 19 LYS NZ :NH3+ 140:sc= 1.1 (180deg=0) USER MOD Set 4.1: A 13 ASN : amide:sc= 1.1 K(o=3.4,f=2.2) USER MOD Set 4.2: A 17 TYR OH : rot -151:sc= 2.27 USER MOD Set 5.1: A 14 ASN : amide:sc= -1.46! C(o=-0.48!,f=-10!) USER MOD Set 5.2: A 16 LYS NZ :NH3+ -172:sc= 0.98 (180deg=-0.0522) USER MOD Single : A 4 HIS : no HD1:sc= 0.428 K(o=0.43,f=-2.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.1) USER MOD Single : A 25 SER OG : rot 150:sc= -0.734! USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= 0.583 (180deg=0.411) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 41 SER OG : rot -170:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0.0386 K(o=0.039,f=-3.1!) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= 1.2 (180deg=1.08) USER MOD Single : A 53 MET CE :methyl -162:sc= -0.107 (180deg=-0.466) USER MOD Single : A 55 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.014) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 95:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 61 N HIS A 4 -2.741 13.890 -10.166 1.00 0.00 N ATOM 62 CA HIS A 4 -3.195 14.107 -8.776 1.00 0.00 C ATOM 63 C HIS A 4 -2.742 12.943 -7.915 1.00 0.00 C ATOM 64 O HIS A 4 -3.366 11.877 -7.911 1.00 0.00 O ATOM 65 CB HIS A 4 -4.727 14.291 -8.620 1.00 0.00 C ATOM 66 CG HIS A 4 -5.354 15.416 -9.386 1.00 0.00 C ATOM 67 ND1 HIS A 4 -5.679 16.627 -8.827 1.00 0.00 N ATOM 68 CD2 HIS A 4 -5.785 15.473 -10.667 1.00 0.00 C ATOM 69 CE1 HIS A 4 -6.280 17.375 -9.726 1.00 0.00 C ATOM 70 NE2 HIS A 4 -6.361 16.698 -10.855 1.00 0.00 N ATOM 0 HA HIS A 4 -2.744 15.046 -8.455 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.213 13.363 -8.921 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.946 14.437 -7.562 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.691 14.692 -11.407 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.647 18.378 -9.566 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.782 17.032 -11.722 1.00 0.00 H new ATOM 79 N GLY A 5 -1.652 13.128 -7.216 1.00 0.00 N ATOM 80 CA GLY A 5 -1.126 12.066 -6.422 1.00 0.00 C ATOM 81 C GLY A 5 -0.650 12.531 -5.075 1.00 0.00 C ATOM 82 O GLY A 5 0.299 13.310 -4.985 1.00 0.00 O ATOM 0 H GLY A 5 -1.121 13.998 -7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.893 11.303 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.298 11.596 -6.953 1.00 0.00 H new ATOM 86 N LYS A 6 -1.309 12.075 -4.044 1.00 0.00 N ATOM 87 CA LYS A 6 -0.925 12.387 -2.669 1.00 0.00 C ATOM 88 C LYS A 6 -0.095 11.243 -2.128 1.00 0.00 C ATOM 89 O LYS A 6 -0.157 10.142 -2.656 1.00 0.00 O ATOM 90 CB LYS A 6 -2.165 12.556 -1.782 1.00 0.00 C ATOM 91 CG LYS A 6 -3.050 13.753 -2.099 1.00 0.00 C ATOM 92 CD LYS A 6 -2.356 15.079 -1.801 1.00 0.00 C ATOM 93 CE LYS A 6 -3.328 16.229 -1.982 1.00 0.00 C ATOM 94 NZ LYS A 6 -2.743 17.547 -1.656 1.00 0.00 N ATOM 0 H LYS A 6 -2.130 11.475 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.359 13.318 -2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.769 11.652 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.838 12.634 -0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.336 13.723 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.969 13.687 -1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.971 15.075 -0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.501 15.208 -2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.678 16.240 -3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.201 16.061 -1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.457 18.289 -1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.433 17.553 -0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.927 17.727 -2.275 1.00 0.00 H new ATOM 108 N TYR A 7 0.684 11.488 -1.117 1.00 0.00 N ATOM 109 CA TYR A 7 1.450 10.431 -0.497 1.00 0.00 C ATOM 110 C TYR A 7 1.004 10.200 0.915 1.00 0.00 C ATOM 111 O TYR A 7 1.169 11.064 1.789 1.00 0.00 O ATOM 112 CB TYR A 7 2.957 10.695 -0.551 1.00 0.00 C ATOM 113 CG TYR A 7 3.574 10.459 -1.907 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.587 11.448 -2.872 1.00 0.00 C ATOM 115 CD2 TYR A 7 4.145 9.233 -2.218 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.149 11.225 -4.108 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.710 8.998 -3.452 1.00 0.00 C ATOM 118 CZ TYR A 7 4.710 9.998 -4.398 1.00 0.00 C ATOM 119 OH TYR A 7 5.258 9.772 -5.658 1.00 0.00 O ATOM 0 H TYR A 7 0.811 12.409 -0.698 1.00 0.00 H new ATOM 0 HA TYR A 7 1.261 9.526 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.146 11.726 -0.252 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.454 10.056 0.179 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.149 12.411 -2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.146 8.447 -1.477 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.151 12.009 -4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.149 8.037 -3.676 1.00 0.00 H new ATOM 0 HH TYR A 7 5.613 8.860 -5.702 1.00 0.00 H new ATOM 129 N VAL A 8 0.456 9.052 1.144 1.00 0.00 N ATOM 130 CA VAL A 8 -0.015 8.659 2.446 1.00 0.00 C ATOM 131 C VAL A 8 0.631 7.328 2.793 1.00 0.00 C ATOM 132 O VAL A 8 1.499 6.846 2.039 1.00 0.00 O ATOM 133 CB VAL A 8 -1.579 8.564 2.538 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.254 9.866 2.129 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.129 7.405 1.744 1.00 0.00 C ATOM 0 H VAL A 8 0.317 8.343 0.424 1.00 0.00 H new ATOM 0 HA VAL A 8 0.268 9.429 3.163 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.811 8.383 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.336 9.755 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.923 10.670 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.988 10.106 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.215 7.381 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.859 7.522 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.711 6.473 2.124 1.00 0.00 H new ATOM 145 N TYR A 9 0.270 6.755 3.905 1.00 0.00 N ATOM 146 CA TYR A 9 0.863 5.516 4.321 1.00 0.00 C ATOM 147 C TYR A 9 -0.188 4.497 4.620 1.00 0.00 C ATOM 148 O TYR A 9 -1.280 4.829 5.090 1.00 0.00 O ATOM 149 CB TYR A 9 1.759 5.714 5.541 1.00 0.00 C ATOM 150 CG TYR A 9 2.968 6.574 5.277 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.891 7.952 5.376 1.00 0.00 C ATOM 152 CD2 TYR A 9 4.183 6.010 4.924 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.984 8.747 5.136 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.285 6.801 4.680 1.00 0.00 C ATOM 155 CZ TYR A 9 5.174 8.171 4.788 1.00 0.00 C ATOM 156 OH TYR A 9 6.262 8.968 4.545 1.00 0.00 O ATOM 0 H TYR A 9 -0.434 7.127 4.542 1.00 0.00 H new ATOM 0 HA TYR A 9 1.478 5.155 3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.172 6.165 6.341 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.090 4.739 5.899 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.952 8.411 5.648 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.268 4.937 4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.904 9.821 5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.228 6.351 4.406 1.00 0.00 H new ATOM 0 HH TYR A 9 7.032 8.408 4.310 1.00 0.00 H new ATOM 166 N ILE A 10 0.115 3.271 4.325 1.00 0.00 N ATOM 167 CA ILE A 10 -0.790 2.199 4.627 1.00 0.00 C ATOM 168 C ILE A 10 -0.473 1.647 6.004 1.00 0.00 C ATOM 169 O ILE A 10 0.701 1.357 6.321 1.00 0.00 O ATOM 170 CB ILE A 10 -0.763 1.075 3.550 1.00 0.00 C ATOM 171 CG1 ILE A 10 -1.147 1.632 2.167 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.648 -0.113 3.924 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.441 2.429 2.153 1.00 0.00 C ATOM 0 H ILE A 10 0.984 2.984 3.874 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.804 2.600 4.620 1.00 0.00 H new ATOM 0 HB ILE A 10 0.261 0.704 3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.338 2.268 1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.237 0.802 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.594 -0.868 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.303 -0.541 4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.679 0.222 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.638 2.785 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.263 1.793 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.351 3.281 2.827 1.00 0.00 H new ATOM 185 N ASP A 11 -1.500 1.529 6.820 1.00 0.00 N ATOM 186 CA ASP A 11 -1.373 1.063 8.180 1.00 0.00 C ATOM 187 C ASP A 11 -1.150 -0.431 8.218 1.00 0.00 C ATOM 188 O ASP A 11 -2.091 -1.237 8.215 1.00 0.00 O ATOM 189 CB ASP A 11 -2.578 1.477 9.050 1.00 0.00 C ATOM 190 CG ASP A 11 -2.479 0.991 10.493 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.766 1.624 11.315 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.124 -0.015 10.840 1.00 0.00 O ATOM 0 H ASP A 11 -2.457 1.758 6.551 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.496 1.546 8.610 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.664 2.564 9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.491 1.083 8.604 1.00 0.00 H new ATOM 197 N LEU A 12 0.103 -0.783 8.112 1.00 0.00 N ATOM 198 CA LEU A 12 0.548 -2.145 8.258 1.00 0.00 C ATOM 199 C LEU A 12 0.536 -2.424 9.746 1.00 0.00 C ATOM 200 O LEU A 12 0.212 -3.514 10.201 1.00 0.00 O ATOM 201 CB LEU A 12 1.970 -2.270 7.714 1.00 0.00 C ATOM 202 CG LEU A 12 2.210 -1.706 6.305 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.664 -1.821 5.926 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.337 -2.396 5.277 1.00 0.00 C ATOM 0 H LEU A 12 0.856 -0.122 7.919 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.086 -2.847 7.716 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.646 -1.766 8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.244 -3.325 7.712 1.00 0.00 H new ATOM 0 HG LEU A 12 1.937 -0.651 6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.812 -1.416 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.271 -1.261 6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.962 -2.869 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.532 -1.973 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.562 -3.462 5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.288 -2.250 5.534 1.00 0.00 H new ATOM 216 N ASN A 13 0.952 -1.389 10.478 1.00 0.00 N ATOM 217 CA ASN A 13 0.880 -1.283 11.945 1.00 0.00 C ATOM 218 C ASN A 13 1.898 -2.177 12.677 1.00 0.00 C ATOM 219 O ASN A 13 2.017 -2.129 13.891 1.00 0.00 O ATOM 220 CB ASN A 13 -0.566 -1.514 12.442 1.00 0.00 C ATOM 221 CG ASN A 13 -0.843 -0.898 13.800 1.00 0.00 C ATOM 222 OD1 ASN A 13 -0.685 -1.533 14.841 1.00 0.00 O ATOM 223 ND2 ASN A 13 -1.274 0.342 13.794 1.00 0.00 N ATOM 0 H ASN A 13 1.368 -0.562 10.049 1.00 0.00 H new ATOM 0 HA ASN A 13 1.167 -0.262 12.199 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.263 -1.099 11.714 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.758 -2.586 12.492 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.490 0.811 14.674 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.393 0.836 12.910 1.00 0.00 H new ATOM 230 N ASN A 14 2.685 -2.943 11.930 1.00 0.00 N ATOM 231 CA ASN A 14 3.722 -3.816 12.539 1.00 0.00 C ATOM 232 C ASN A 14 5.028 -3.043 12.773 1.00 0.00 C ATOM 233 O ASN A 14 6.099 -3.620 12.949 1.00 0.00 O ATOM 234 CB ASN A 14 3.996 -5.090 11.695 1.00 0.00 C ATOM 235 CG ASN A 14 4.508 -4.803 10.294 1.00 0.00 C ATOM 236 OD1 ASN A 14 5.698 -4.611 10.083 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.632 -4.835 9.323 1.00 0.00 N ATOM 0 H ASN A 14 2.638 -2.988 10.912 1.00 0.00 H new ATOM 0 HA ASN A 14 3.327 -4.141 13.501 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.725 -5.710 12.217 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.076 -5.671 11.623 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.934 -4.698 8.359 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.647 -4.997 9.530 1.00 0.00 H new ATOM 244 N GLY A 15 4.916 -1.739 12.795 1.00 0.00 N ATOM 245 CA GLY A 15 6.051 -0.890 13.049 1.00 0.00 C ATOM 246 C GLY A 15 6.593 -0.274 11.792 1.00 0.00 C ATOM 247 O GLY A 15 7.346 0.685 11.843 1.00 0.00 O ATOM 0 H GLY A 15 4.041 -1.239 12.638 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.763 -0.101 13.743 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.835 -1.471 13.534 1.00 0.00 H new ATOM 251 N LYS A 16 6.195 -0.807 10.665 1.00 0.00 N ATOM 252 CA LYS A 16 6.593 -0.264 9.394 1.00 0.00 C ATOM 253 C LYS A 16 5.343 0.155 8.654 1.00 0.00 C ATOM 254 O LYS A 16 4.252 -0.389 8.910 1.00 0.00 O ATOM 255 CB LYS A 16 7.428 -1.270 8.549 1.00 0.00 C ATOM 256 CG LYS A 16 6.665 -2.498 8.046 1.00 0.00 C ATOM 257 CD LYS A 16 7.524 -3.389 7.137 1.00 0.00 C ATOM 258 CE LYS A 16 8.627 -4.122 7.897 1.00 0.00 C ATOM 259 NZ LYS A 16 8.084 -5.134 8.835 1.00 0.00 N ATOM 0 H LYS A 16 5.589 -1.625 10.604 1.00 0.00 H new ATOM 0 HA LYS A 16 7.244 0.593 9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.840 -0.742 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.273 -1.609 9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.318 -3.081 8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.779 -2.174 7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.884 -4.119 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.973 -2.776 6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.294 -4.609 7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.226 -3.399 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.854 -5.510 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.366 -4.693 9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.651 -5.910 8.295 1.00 0.00 H new ATOM 273 N TYR A 17 5.477 1.127 7.808 1.00 0.00 N ATOM 274 CA TYR A 17 4.390 1.653 7.015 1.00 0.00 C ATOM 275 C TYR A 17 4.843 1.762 5.591 1.00 0.00 C ATOM 276 O TYR A 17 6.002 2.035 5.343 1.00 0.00 O ATOM 277 CB TYR A 17 3.930 3.024 7.546 1.00 0.00 C ATOM 278 CG TYR A 17 3.022 2.953 8.761 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.483 2.495 9.982 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.691 3.331 8.671 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.653 2.409 11.066 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.855 3.254 9.760 1.00 0.00 C ATOM 283 CZ TYR A 17 1.343 2.788 10.954 1.00 0.00 C ATOM 284 OH TYR A 17 0.518 2.692 12.044 1.00 0.00 O ATOM 0 H TYR A 17 6.367 1.596 7.639 1.00 0.00 H new ATOM 0 HA TYR A 17 3.537 0.978 7.079 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.810 3.616 7.799 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.409 3.553 6.748 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.517 2.200 10.081 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.304 3.692 7.729 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.031 2.042 12.009 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.178 3.558 9.676 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.402 2.536 11.745 1.00 0.00 H new ATOM 294 N VAL A 18 3.966 1.528 4.667 1.00 0.00 N ATOM 295 CA VAL A 18 4.342 1.589 3.278 1.00 0.00 C ATOM 296 C VAL A 18 3.904 2.906 2.665 1.00 0.00 C ATOM 297 O VAL A 18 2.789 3.385 2.915 1.00 0.00 O ATOM 298 CB VAL A 18 3.830 0.352 2.456 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.341 0.185 2.567 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.249 0.435 0.996 1.00 0.00 C ATOM 0 H VAL A 18 2.989 1.294 4.841 1.00 0.00 H new ATOM 0 HA VAL A 18 5.430 1.541 3.232 1.00 0.00 H new ATOM 0 HB VAL A 18 4.300 -0.529 2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.028 -0.681 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.068 0.037 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.845 1.078 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.876 -0.438 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.835 1.339 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.337 0.464 0.931 1.00 0.00 H new ATOM 310 N LYS A 19 4.816 3.500 1.928 1.00 0.00 N ATOM 311 CA LYS A 19 4.616 4.769 1.267 1.00 0.00 C ATOM 312 C LYS A 19 3.738 4.527 0.052 1.00 0.00 C ATOM 313 O LYS A 19 4.108 3.754 -0.819 1.00 0.00 O ATOM 314 CB LYS A 19 5.990 5.275 0.806 1.00 0.00 C ATOM 315 CG LYS A 19 6.039 6.683 0.241 1.00 0.00 C ATOM 316 CD LYS A 19 5.793 7.713 1.316 1.00 0.00 C ATOM 317 CE LYS A 19 6.119 9.104 0.832 1.00 0.00 C ATOM 318 NZ LYS A 19 6.057 10.088 1.929 1.00 0.00 N ATOM 0 H LYS A 19 5.742 3.103 1.768 1.00 0.00 H new ATOM 0 HA LYS A 19 4.148 5.498 1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.674 5.223 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.369 4.590 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.011 6.859 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.291 6.788 -0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.750 7.671 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.399 7.479 2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.116 9.112 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.420 9.390 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.839 10.766 1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.151 10.596 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.138 9.596 2.842 1.00 0.00 H new ATOM 332 N VAL A 20 2.600 5.138 -0.007 1.00 0.00 N ATOM 333 CA VAL A 20 1.731 4.915 -1.128 1.00 0.00 C ATOM 334 C VAL A 20 1.282 6.235 -1.744 1.00 0.00 C ATOM 335 O VAL A 20 0.939 7.193 -1.037 1.00 0.00 O ATOM 336 CB VAL A 20 0.505 4.021 -0.740 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.343 4.673 0.326 1.00 0.00 C ATOM 338 CG2 VAL A 20 -0.342 3.653 -1.954 1.00 0.00 C ATOM 0 H VAL A 20 2.249 5.789 0.696 1.00 0.00 H new ATOM 0 HA VAL A 20 2.301 4.371 -1.882 1.00 0.00 H new ATOM 0 HB VAL A 20 0.911 3.096 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.184 4.024 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.259 4.838 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.717 5.629 -0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.181 3.033 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.719 4.562 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.268 3.101 -2.669 1.00 0.00 H new ATOM 348 N ARG A 21 1.360 6.310 -3.048 1.00 0.00 N ATOM 349 CA ARG A 21 0.870 7.450 -3.757 1.00 0.00 C ATOM 350 C ARG A 21 -0.556 7.171 -4.160 1.00 0.00 C ATOM 351 O ARG A 21 -0.847 6.147 -4.789 1.00 0.00 O ATOM 352 CB ARG A 21 1.728 7.774 -4.991 1.00 0.00 C ATOM 353 CG ARG A 21 1.255 9.002 -5.768 1.00 0.00 C ATOM 354 CD ARG A 21 2.190 9.324 -6.921 1.00 0.00 C ATOM 355 NE ARG A 21 1.780 10.537 -7.649 1.00 0.00 N ATOM 356 CZ ARG A 21 2.519 11.663 -7.767 1.00 0.00 C ATOM 357 NH1 ARG A 21 3.742 11.734 -7.238 1.00 0.00 N ATOM 358 NH2 ARG A 21 2.036 12.700 -8.439 1.00 0.00 N ATOM 0 H ARG A 21 1.764 5.584 -3.640 1.00 0.00 H new ATOM 0 HA ARG A 21 0.921 8.324 -3.108 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.759 7.932 -4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.728 6.912 -5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.250 8.827 -6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.195 9.858 -5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.202 9.456 -6.539 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.217 8.480 -7.611 1.00 0.00 H new ATOM 0 HE ARG A 21 0.865 10.527 -8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.129 10.933 -6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.290 12.589 -7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.110 12.646 -8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.590 13.551 -8.530 1.00 0.00 H new ATOM 372 N ILE A 22 -1.424 8.039 -3.766 1.00 0.00 N ATOM 373 CA ILE A 22 -2.819 7.921 -4.055 1.00 0.00 C ATOM 374 C ILE A 22 -3.093 8.693 -5.308 1.00 0.00 C ATOM 375 O ILE A 22 -3.014 9.928 -5.299 1.00 0.00 O ATOM 376 CB ILE A 22 -3.692 8.533 -2.924 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.263 8.014 -1.548 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.179 8.250 -3.167 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.324 6.514 -1.402 1.00 0.00 C ATOM 0 H ILE A 22 -1.183 8.868 -3.223 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.065 6.864 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.541 9.612 -2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.244 8.345 -1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.899 8.467 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.769 8.688 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.482 8.687 -4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.345 7.173 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.004 6.233 -0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.347 6.174 -1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.666 6.050 -2.136 1.00 0.00 H new ATOM 391 N LEU A 23 -3.340 8.002 -6.374 1.00 0.00 N ATOM 392 CA LEU A 23 -3.704 8.649 -7.592 1.00 0.00 C ATOM 393 C LEU A 23 -5.188 8.835 -7.548 1.00 0.00 C ATOM 394 O LEU A 23 -5.944 7.868 -7.627 1.00 0.00 O ATOM 395 CB LEU A 23 -3.282 7.808 -8.801 1.00 0.00 C ATOM 396 CG LEU A 23 -1.778 7.583 -8.955 1.00 0.00 C ATOM 397 CD1 LEU A 23 -1.489 6.681 -10.142 1.00 0.00 C ATOM 398 CD2 LEU A 23 -1.058 8.916 -9.111 1.00 0.00 C ATOM 0 H LEU A 23 -3.296 6.984 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.200 9.610 -7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.772 6.837 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.654 8.291 -9.705 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.409 7.091 -8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.413 6.534 -10.234 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.976 5.717 -9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.871 7.144 -11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.012 8.741 -9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.433 9.431 -9.995 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.237 9.532 -8.230 1.00 0.00 H new ATOM 410 N LYS A 24 -5.601 10.054 -7.406 1.00 0.00 N ATOM 411 CA LYS A 24 -6.986 10.354 -7.199 1.00 0.00 C ATOM 412 C LYS A 24 -7.475 11.288 -8.281 1.00 0.00 C ATOM 413 O LYS A 24 -7.148 12.469 -8.283 1.00 0.00 O ATOM 414 CB LYS A 24 -7.126 11.036 -5.817 1.00 0.00 C ATOM 415 CG LYS A 24 -8.547 11.412 -5.396 1.00 0.00 C ATOM 416 CD LYS A 24 -8.542 12.347 -4.174 1.00 0.00 C ATOM 417 CE LYS A 24 -7.896 11.724 -2.927 1.00 0.00 C ATOM 418 NZ LYS A 24 -8.692 10.616 -2.354 1.00 0.00 N ATOM 0 H LYS A 24 -4.990 10.871 -7.430 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.580 9.441 -7.234 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.709 10.370 -5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.517 11.940 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.057 11.899 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.110 10.508 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.010 13.263 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.568 12.630 -3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.903 11.355 -3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.762 12.497 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.215 10.248 -1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.637 10.965 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.785 9.855 -3.057 1.00 0.00 H new ATOM 432 N SER A 25 -8.236 10.787 -9.194 1.00 0.00 N ATOM 433 CA SER A 25 -8.777 11.617 -10.183 1.00 0.00 C ATOM 434 C SER A 25 -10.276 11.793 -10.027 1.00 0.00 C ATOM 435 O SER A 25 -11.101 10.969 -10.477 1.00 0.00 O ATOM 436 CB SER A 25 -8.358 11.155 -11.562 1.00 0.00 C ATOM 437 OG SER A 25 -8.580 9.777 -11.744 1.00 0.00 O ATOM 0 H SER A 25 -8.491 9.802 -9.265 1.00 0.00 H new ATOM 0 HA SER A 25 -8.362 12.617 -10.053 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.912 11.715 -12.316 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.301 11.376 -11.713 1.00 0.00 H new ATOM 0 HG SER A 25 -8.762 9.597 -12.690 1.00 0.00 H new ATOM 443 N ARG A 26 -10.629 12.857 -9.345 1.00 0.00 N ATOM 444 CA ARG A 26 -12.017 13.243 -9.167 1.00 0.00 C ATOM 445 C ARG A 26 -12.456 14.016 -10.402 1.00 0.00 C ATOM 446 O ARG A 26 -13.629 14.352 -10.577 1.00 0.00 O ATOM 447 CB ARG A 26 -12.171 14.092 -7.909 1.00 0.00 C ATOM 448 CG ARG A 26 -11.863 13.345 -6.625 1.00 0.00 C ATOM 449 CD ARG A 26 -11.903 14.269 -5.422 1.00 0.00 C ATOM 450 NE ARG A 26 -10.848 15.297 -5.487 1.00 0.00 N ATOM 451 CZ ARG A 26 -10.908 16.506 -4.906 1.00 0.00 C ATOM 452 NH1 ARG A 26 -11.944 16.839 -4.151 1.00 0.00 N ATOM 453 NH2 ARG A 26 -9.909 17.366 -5.059 1.00 0.00 N ATOM 0 H ARG A 26 -9.963 13.484 -8.895 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.644 12.360 -9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.511 14.957 -7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.191 14.472 -7.861 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.584 12.538 -6.490 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.878 12.884 -6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.879 14.752 -5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.785 13.684 -4.510 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.005 15.072 -6.016 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.705 16.175 -4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.981 17.760 -3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.096 17.109 -5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.955 18.284 -4.618 1.00 0.00 H new ATOM 467 N ASP A 27 -11.465 14.289 -11.238 1.00 0.00 N ATOM 468 CA ASP A 27 -11.597 14.947 -12.528 1.00 0.00 C ATOM 469 C ASP A 27 -12.423 14.048 -13.438 1.00 0.00 C ATOM 470 O ASP A 27 -13.283 14.511 -14.179 1.00 0.00 O ATOM 471 CB ASP A 27 -10.191 15.130 -13.158 1.00 0.00 C ATOM 472 CG ASP A 27 -9.158 15.720 -12.206 1.00 0.00 C ATOM 473 OD1 ASP A 27 -8.813 15.056 -11.212 1.00 0.00 O ATOM 474 OD2 ASP A 27 -8.635 16.837 -12.442 1.00 0.00 O ATOM 0 H ASP A 27 -10.498 14.045 -11.023 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.075 15.919 -12.406 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.834 14.163 -13.512 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.277 15.777 -14.031 1.00 0.00 H new ATOM 479 N ASP A 28 -12.143 12.745 -13.364 1.00 0.00 N ATOM 480 CA ASP A 28 -12.885 11.738 -14.139 1.00 0.00 C ATOM 481 C ASP A 28 -14.248 11.583 -13.520 1.00 0.00 C ATOM 482 O ASP A 28 -15.282 11.665 -14.190 1.00 0.00 O ATOM 483 CB ASP A 28 -12.199 10.354 -14.095 1.00 0.00 C ATOM 484 CG ASP A 28 -10.815 10.298 -14.689 1.00 0.00 C ATOM 485 OD1 ASP A 28 -10.629 10.705 -15.851 1.00 0.00 O ATOM 486 OD2 ASP A 28 -9.900 9.796 -14.024 1.00 0.00 O ATOM 0 H ASP A 28 -11.406 12.358 -12.774 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.931 12.075 -15.175 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.143 10.028 -13.056 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.831 9.638 -14.621 1.00 0.00 H new ATOM 491 N ASN A 29 -14.209 11.325 -12.229 1.00 0.00 N ATOM 492 CA ASN A 29 -15.361 11.177 -11.344 1.00 0.00 C ATOM 493 C ASN A 29 -14.801 10.774 -10.023 1.00 0.00 C ATOM 494 O ASN A 29 -14.816 11.533 -9.070 1.00 0.00 O ATOM 495 CB ASN A 29 -16.363 10.092 -11.819 1.00 0.00 C ATOM 496 CG ASN A 29 -17.638 10.032 -10.961 1.00 0.00 C ATOM 497 OD1 ASN A 29 -18.621 10.717 -11.247 1.00 0.00 O ATOM 498 ND2 ASN A 29 -17.639 9.232 -9.919 1.00 0.00 N ATOM 0 H ASN A 29 -13.325 11.205 -11.735 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.920 12.112 -11.316 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.638 10.289 -12.855 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.872 9.119 -11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.466 9.168 -9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.812 8.675 -9.703 1.00 0.00 H new ATOM 505 N SER A 30 -14.225 9.594 -10.008 1.00 0.00 N ATOM 506 CA SER A 30 -13.605 9.056 -8.841 1.00 0.00 C ATOM 507 C SER A 30 -12.747 7.861 -9.218 1.00 0.00 C ATOM 508 O SER A 30 -13.131 6.713 -9.013 1.00 0.00 O ATOM 509 CB SER A 30 -14.669 8.675 -7.802 1.00 0.00 C ATOM 510 OG SER A 30 -15.673 7.844 -8.393 1.00 0.00 O ATOM 0 H SER A 30 -14.179 8.981 -10.822 1.00 0.00 H new ATOM 0 HA SER A 30 -12.959 9.812 -8.394 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.200 8.152 -6.968 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.128 9.576 -7.396 1.00 0.00 H new ATOM 0 HG SER A 30 -15.246 7.089 -8.849 1.00 0.00 H new ATOM 516 N VAL A 31 -11.651 8.120 -9.866 1.00 0.00 N ATOM 517 CA VAL A 31 -10.744 7.056 -10.214 1.00 0.00 C ATOM 518 C VAL A 31 -9.570 7.122 -9.280 1.00 0.00 C ATOM 519 O VAL A 31 -8.713 7.997 -9.390 1.00 0.00 O ATOM 520 CB VAL A 31 -10.278 7.100 -11.698 1.00 0.00 C ATOM 521 CG1 VAL A 31 -9.304 5.958 -12.000 1.00 0.00 C ATOM 522 CG2 VAL A 31 -11.476 7.027 -12.636 1.00 0.00 C ATOM 0 H VAL A 31 -11.360 9.051 -10.165 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.272 6.108 -10.109 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.761 8.046 -11.860 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.993 6.011 -13.043 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.429 6.046 -11.356 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.795 5.003 -11.816 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.131 7.059 -13.670 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.018 6.097 -12.463 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.138 7.873 -12.448 1.00 0.00 H new ATOM 532 N GLU A 32 -9.583 6.267 -8.307 1.00 0.00 N ATOM 533 CA GLU A 32 -8.545 6.246 -7.335 1.00 0.00 C ATOM 534 C GLU A 32 -7.831 4.931 -7.336 1.00 0.00 C ATOM 535 O GLU A 32 -8.421 3.874 -7.045 1.00 0.00 O ATOM 536 CB GLU A 32 -9.082 6.567 -5.952 1.00 0.00 C ATOM 537 CG GLU A 32 -9.755 7.918 -5.876 1.00 0.00 C ATOM 538 CD GLU A 32 -10.162 8.271 -4.496 1.00 0.00 C ATOM 539 OE1 GLU A 32 -9.286 8.457 -3.649 1.00 0.00 O ATOM 540 OE2 GLU A 32 -11.368 8.409 -4.231 1.00 0.00 O ATOM 0 H GLU A 32 -10.312 5.568 -8.167 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.826 7.020 -7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.794 5.796 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.262 6.535 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.076 8.681 -6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.633 7.920 -6.522 1.00 0.00 H new ATOM 547 N LYS A 33 -6.590 4.990 -7.688 1.00 0.00 N ATOM 548 CA LYS A 33 -5.726 3.855 -7.673 1.00 0.00 C ATOM 549 C LYS A 33 -4.532 4.154 -6.840 1.00 0.00 C ATOM 550 O LYS A 33 -4.184 5.317 -6.614 1.00 0.00 O ATOM 551 CB LYS A 33 -5.320 3.365 -9.066 1.00 0.00 C ATOM 552 CG LYS A 33 -6.401 2.581 -9.783 1.00 0.00 C ATOM 553 CD LYS A 33 -5.869 1.954 -11.061 1.00 0.00 C ATOM 554 CE LYS A 33 -6.892 1.037 -11.716 1.00 0.00 C ATOM 555 NZ LYS A 33 -7.215 -0.157 -10.890 1.00 0.00 N ATOM 0 H LYS A 33 -6.137 5.848 -8.002 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.289 3.031 -7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.044 4.225 -9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.432 2.740 -8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.786 1.802 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.236 3.240 -10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.587 2.741 -11.761 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.965 1.387 -10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.807 1.599 -11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.512 0.710 -12.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.109 -0.575 -11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.452 -0.858 -10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.310 0.126 -9.894 1.00 0.00 H new ATOM 569 N TYR A 34 -3.919 3.137 -6.379 1.00 0.00 N ATOM 570 CA TYR A 34 -2.831 3.263 -5.487 1.00 0.00 C ATOM 571 C TYR A 34 -1.592 2.795 -6.203 1.00 0.00 C ATOM 572 O TYR A 34 -1.689 1.984 -7.135 1.00 0.00 O ATOM 573 CB TYR A 34 -3.131 2.436 -4.230 1.00 0.00 C ATOM 574 CG TYR A 34 -4.507 2.757 -3.630 1.00 0.00 C ATOM 575 CD1 TYR A 34 -5.657 2.087 -4.056 1.00 0.00 C ATOM 576 CD2 TYR A 34 -4.657 3.745 -2.684 1.00 0.00 C ATOM 577 CE1 TYR A 34 -6.904 2.408 -3.552 1.00 0.00 C ATOM 578 CE2 TYR A 34 -5.902 4.066 -2.167 1.00 0.00 C ATOM 579 CZ TYR A 34 -7.018 3.398 -2.607 1.00 0.00 C ATOM 580 OH TYR A 34 -8.263 3.733 -2.104 1.00 0.00 O ATOM 0 H TYR A 34 -4.161 2.174 -6.613 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.674 4.294 -5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.084 1.375 -4.477 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.360 2.623 -3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.570 1.303 -4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.786 4.281 -2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.782 1.884 -3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.994 4.840 -1.419 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.167 4.451 -1.444 1.00 0.00 H new ATOM 590 N VAL A 35 -0.458 3.330 -5.817 1.00 0.00 N ATOM 591 CA VAL A 35 0.798 3.020 -6.475 1.00 0.00 C ATOM 592 C VAL A 35 1.185 1.541 -6.246 1.00 0.00 C ATOM 593 O VAL A 35 0.881 0.958 -5.205 1.00 0.00 O ATOM 594 CB VAL A 35 1.929 3.984 -6.006 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.476 3.639 -4.628 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.028 4.109 -7.034 1.00 0.00 C ATOM 0 H VAL A 35 -0.375 3.989 -5.043 1.00 0.00 H new ATOM 0 HA VAL A 35 0.666 3.168 -7.547 1.00 0.00 H new ATOM 0 HB VAL A 35 1.464 4.965 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.260 4.347 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.672 3.692 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.888 2.630 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.795 4.790 -6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.470 3.129 -7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.614 4.498 -7.964 1.00 0.00 H new ATOM 606 N LEU A 36 1.834 0.956 -7.225 1.00 0.00 N ATOM 607 CA LEU A 36 2.187 -0.432 -7.206 1.00 0.00 C ATOM 608 C LEU A 36 3.543 -0.676 -6.547 1.00 0.00 C ATOM 609 O LEU A 36 3.973 -1.826 -6.398 1.00 0.00 O ATOM 610 CB LEU A 36 2.146 -1.043 -8.624 1.00 0.00 C ATOM 611 CG LEU A 36 0.766 -1.151 -9.335 1.00 0.00 C ATOM 612 CD1 LEU A 36 -0.269 -1.844 -8.459 1.00 0.00 C ATOM 613 CD2 LEU A 36 0.256 0.201 -9.835 1.00 0.00 C ATOM 0 H LEU A 36 2.134 1.445 -8.068 1.00 0.00 H new ATOM 0 HA LEU A 36 1.437 -0.936 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.804 -0.452 -9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.572 -2.045 -8.568 1.00 0.00 H new ATOM 0 HG LEU A 36 0.924 -1.774 -10.216 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.218 -1.899 -8.992 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.072 -2.851 -8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.403 -1.278 -7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.710 0.068 -10.323 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.146 0.883 -8.992 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.968 0.618 -10.548 1.00 0.00 H new ATOM 625 N THR A 37 4.232 0.377 -6.174 1.00 0.00 N ATOM 626 CA THR A 37 5.500 0.195 -5.537 1.00 0.00 C ATOM 627 C THR A 37 5.280 0.114 -4.021 1.00 0.00 C ATOM 628 O THR A 37 4.361 0.731 -3.481 1.00 0.00 O ATOM 629 CB THR A 37 6.547 1.291 -5.939 1.00 0.00 C ATOM 630 OG1 THR A 37 7.799 1.060 -5.284 1.00 0.00 O ATOM 631 CG2 THR A 37 6.060 2.701 -5.637 1.00 0.00 C ATOM 0 H THR A 37 3.938 1.346 -6.300 1.00 0.00 H new ATOM 0 HA THR A 37 5.938 -0.741 -5.884 1.00 0.00 H new ATOM 0 HB THR A 37 6.681 1.213 -7.018 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.482 1.651 -5.665 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.823 3.421 -5.934 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.142 2.895 -6.191 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.866 2.798 -4.569 1.00 0.00 H new ATOM 639 N SER A 38 6.126 -0.617 -3.347 1.00 0.00 N ATOM 640 CA SER A 38 5.896 -0.977 -1.967 1.00 0.00 C ATOM 641 C SER A 38 7.021 -0.537 -1.017 1.00 0.00 C ATOM 642 O SER A 38 7.243 -1.180 0.006 1.00 0.00 O ATOM 643 CB SER A 38 5.663 -2.476 -1.897 1.00 0.00 C ATOM 644 OG SER A 38 4.610 -2.852 -2.776 1.00 0.00 O ATOM 0 H SER A 38 6.996 -0.982 -3.736 1.00 0.00 H new ATOM 0 HA SER A 38 5.015 -0.438 -1.619 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.577 -3.006 -2.165 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.415 -2.765 -0.876 1.00 0.00 H new ATOM 0 HG SER A 38 4.470 -3.821 -2.723 1.00 0.00 H new ATOM 650 N HIS A 39 7.739 0.531 -1.370 1.00 0.00 N ATOM 651 CA HIS A 39 8.802 1.074 -0.503 1.00 0.00 C ATOM 652 C HIS A 39 8.275 1.358 0.911 1.00 0.00 C ATOM 653 O HIS A 39 7.411 2.223 1.116 1.00 0.00 O ATOM 654 CB HIS A 39 9.437 2.351 -1.086 1.00 0.00 C ATOM 655 CG HIS A 39 10.343 2.122 -2.258 1.00 0.00 C ATOM 656 ND1 HIS A 39 11.648 1.692 -2.132 1.00 0.00 N ATOM 657 CD2 HIS A 39 10.132 2.274 -3.583 1.00 0.00 C ATOM 658 CE1 HIS A 39 12.194 1.594 -3.319 1.00 0.00 C ATOM 659 NE2 HIS A 39 11.298 1.938 -4.217 1.00 0.00 N ATOM 0 H HIS A 39 7.609 1.039 -2.245 1.00 0.00 H new ATOM 0 HA HIS A 39 9.575 0.308 -0.449 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.640 3.031 -1.388 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.002 2.851 -0.299 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.216 2.599 -4.054 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.208 1.283 -3.525 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.448 1.952 -5.226 1.00 0.00 H new ATOM 668 N VAL A 40 8.779 0.612 1.865 1.00 0.00 N ATOM 669 CA VAL A 40 8.348 0.727 3.239 1.00 0.00 C ATOM 670 C VAL A 40 9.232 1.654 4.045 1.00 0.00 C ATOM 671 O VAL A 40 10.408 1.832 3.747 1.00 0.00 O ATOM 672 CB VAL A 40 8.245 -0.656 3.954 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.058 -1.430 3.433 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.520 -1.479 3.762 1.00 0.00 C ATOM 0 H VAL A 40 9.500 -0.093 1.711 1.00 0.00 H new ATOM 0 HA VAL A 40 7.349 1.160 3.190 1.00 0.00 H new ATOM 0 HB VAL A 40 8.115 -0.467 5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.000 -2.392 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.145 -0.865 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.171 -1.592 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.415 -2.436 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.685 -1.651 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.369 -0.937 4.178 1.00 0.00 H new ATOM 684 N SER A 41 8.645 2.270 5.008 1.00 0.00 N ATOM 685 CA SER A 41 9.316 3.103 5.947 1.00 0.00 C ATOM 686 C SER A 41 9.187 2.403 7.300 1.00 0.00 C ATOM 687 O SER A 41 8.124 1.873 7.613 1.00 0.00 O ATOM 688 CB SER A 41 8.640 4.476 5.961 1.00 0.00 C ATOM 689 OG SER A 41 8.561 4.993 4.633 1.00 0.00 O ATOM 0 H SER A 41 7.640 2.206 5.172 1.00 0.00 H new ATOM 0 HA SER A 41 10.366 3.257 5.700 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.641 4.394 6.389 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.203 5.162 6.594 1.00 0.00 H new ATOM 0 HG SER A 41 8.275 5.930 4.663 1.00 0.00 H new ATOM 695 N LYS A 42 10.238 2.383 8.078 1.00 0.00 N ATOM 696 CA LYS A 42 10.244 1.621 9.332 1.00 0.00 C ATOM 697 C LYS A 42 9.806 2.476 10.524 1.00 0.00 C ATOM 698 O LYS A 42 9.965 2.086 11.686 1.00 0.00 O ATOM 699 CB LYS A 42 11.633 1.032 9.578 1.00 0.00 C ATOM 700 CG LYS A 42 12.731 2.070 9.710 1.00 0.00 C ATOM 701 CD LYS A 42 14.065 1.423 9.996 1.00 0.00 C ATOM 702 CE LYS A 42 15.146 2.465 10.175 1.00 0.00 C ATOM 703 NZ LYS A 42 16.453 1.856 10.458 1.00 0.00 N ATOM 0 H LYS A 42 11.107 2.880 7.879 1.00 0.00 H new ATOM 0 HA LYS A 42 9.521 0.811 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.605 0.431 10.487 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.881 0.359 8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.796 2.652 8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.482 2.766 10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.991 0.812 10.896 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.332 0.754 9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.217 3.073 9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.873 3.135 10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.167 2.604 10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.393 1.296 11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.726 1.237 9.668 1.00 0.00 H new ATOM 717 N ASN A 43 9.231 3.607 10.224 1.00 0.00 N ATOM 718 CA ASN A 43 8.781 4.544 11.234 1.00 0.00 C ATOM 719 C ASN A 43 7.310 4.776 11.070 1.00 0.00 C ATOM 720 O ASN A 43 6.749 4.497 10.003 1.00 0.00 O ATOM 721 CB ASN A 43 9.524 5.887 11.121 1.00 0.00 C ATOM 722 CG ASN A 43 11.003 5.797 11.447 1.00 0.00 C ATOM 723 OD1 ASN A 43 11.416 5.971 12.596 1.00 0.00 O ATOM 724 ND2 ASN A 43 11.814 5.546 10.455 1.00 0.00 N ATOM 0 H ASN A 43 9.057 3.913 9.267 1.00 0.00 H new ATOM 0 HA ASN A 43 8.991 4.119 12.215 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.407 6.272 10.108 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.057 6.608 11.792 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.819 5.489 10.620 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.443 5.407 9.515 1.00 0.00 H new ATOM 731 N ARG A 44 6.681 5.270 12.102 1.00 0.00 N ATOM 732 CA ARG A 44 5.276 5.557 12.063 1.00 0.00 C ATOM 733 C ARG A 44 5.067 7.054 11.880 1.00 0.00 C ATOM 734 O ARG A 44 5.410 7.850 12.766 1.00 0.00 O ATOM 735 CB ARG A 44 4.575 5.083 13.336 1.00 0.00 C ATOM 736 CG ARG A 44 4.781 3.610 13.647 1.00 0.00 C ATOM 737 CD ARG A 44 3.850 3.151 14.750 1.00 0.00 C ATOM 738 NE ARG A 44 2.435 3.264 14.346 1.00 0.00 N ATOM 739 CZ ARG A 44 1.437 3.707 15.120 1.00 0.00 C ATOM 740 NH1 ARG A 44 1.665 4.077 16.385 1.00 0.00 N ATOM 741 NH2 ARG A 44 0.211 3.770 14.621 1.00 0.00 N ATOM 0 H ARG A 44 7.130 5.484 12.993 1.00 0.00 H new ATOM 0 HA ARG A 44 4.840 5.019 11.221 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.935 5.675 14.178 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.507 5.278 13.243 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.606 3.017 12.749 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.815 3.439 13.945 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.074 2.116 15.009 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.023 3.748 15.645 1.00 0.00 H new ATOM 0 HE ARG A 44 2.197 2.980 13.396 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.608 4.023 16.770 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.896 4.413 16.965 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.037 3.483 13.658 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.559 4.106 15.200 1.00 0.00 H new ATOM 755 N PRO A 45 4.565 7.472 10.715 1.00 0.00 N ATOM 756 CA PRO A 45 4.275 8.878 10.439 1.00 0.00 C ATOM 757 C PRO A 45 3.114 9.377 11.294 1.00 0.00 C ATOM 758 O PRO A 45 2.140 8.653 11.520 1.00 0.00 O ATOM 759 CB PRO A 45 3.886 8.883 8.958 1.00 0.00 C ATOM 760 CG PRO A 45 4.405 7.590 8.438 1.00 0.00 C ATOM 761 CD PRO A 45 4.270 6.626 9.559 1.00 0.00 C ATOM 0 HA PRO A 45 5.119 9.530 10.664 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.806 8.958 8.831 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.329 9.729 8.433 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.837 7.261 7.568 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.445 7.683 8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.270 6.196 9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.970 5.795 9.471 1.00 0.00 H new ATOM 769 N LYS A 46 3.222 10.588 11.755 1.00 0.00 N ATOM 770 CA LYS A 46 2.241 11.176 12.644 1.00 0.00 C ATOM 771 C LYS A 46 1.514 12.323 11.929 1.00 0.00 C ATOM 772 O LYS A 46 0.635 12.979 12.491 1.00 0.00 O ATOM 773 CB LYS A 46 2.984 11.698 13.881 1.00 0.00 C ATOM 774 CG LYS A 46 2.106 12.167 15.044 1.00 0.00 C ATOM 775 CD LYS A 46 2.945 12.755 16.172 1.00 0.00 C ATOM 776 CE LYS A 46 3.972 11.752 16.679 1.00 0.00 C ATOM 777 NZ LYS A 46 4.822 12.301 17.749 1.00 0.00 N ATOM 0 H LYS A 46 3.999 11.209 11.527 1.00 0.00 H new ATOM 0 HA LYS A 46 1.496 10.438 12.940 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.643 10.909 14.244 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.620 12.528 13.574 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.397 12.914 14.688 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.522 11.328 15.422 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.453 13.653 15.820 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.294 13.058 16.992 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.456 10.866 17.049 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.601 11.432 15.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.503 11.578 18.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.337 13.131 17.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.228 12.583 18.555 1.00 0.00 H new ATOM 791 N ASN A 47 1.880 12.552 10.694 1.00 0.00 N ATOM 792 CA ASN A 47 1.329 13.669 9.932 1.00 0.00 C ATOM 793 C ASN A 47 0.673 13.184 8.648 1.00 0.00 C ATOM 794 O ASN A 47 0.423 13.972 7.726 1.00 0.00 O ATOM 795 CB ASN A 47 2.456 14.665 9.582 1.00 0.00 C ATOM 796 CG ASN A 47 3.484 14.129 8.569 1.00 0.00 C ATOM 797 OD1 ASN A 47 3.730 12.916 8.464 1.00 0.00 O ATOM 798 ND2 ASN A 47 4.082 15.020 7.817 1.00 0.00 N ATOM 0 H ASN A 47 2.558 11.985 10.184 1.00 0.00 H new ATOM 0 HA ASN A 47 0.573 14.160 10.546 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.009 15.575 9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.977 14.942 10.498 1.00 0.00 H new ATOM 0 HD21 ASN A 47 4.769 14.724 7.124 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.860 16.010 7.925 1.00 0.00 H new ATOM 805 N ALA A 48 0.345 11.924 8.587 1.00 0.00 N ATOM 806 CA ALA A 48 -0.159 11.373 7.357 1.00 0.00 C ATOM 807 C ALA A 48 -1.457 10.632 7.548 1.00 0.00 C ATOM 808 O ALA A 48 -1.804 10.211 8.657 1.00 0.00 O ATOM 809 CB ALA A 48 0.878 10.470 6.721 1.00 0.00 C ATOM 0 H ALA A 48 0.415 11.265 9.362 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.365 12.210 6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.483 10.060 5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.780 11.044 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.118 9.655 7.403 1.00 0.00 H new ATOM 815 N ILE A 49 -2.165 10.480 6.465 1.00 0.00 N ATOM 816 CA ILE A 49 -3.398 9.747 6.443 1.00 0.00 C ATOM 817 C ILE A 49 -3.052 8.276 6.286 1.00 0.00 C ATOM 818 O ILE A 49 -2.243 7.916 5.427 1.00 0.00 O ATOM 819 CB ILE A 49 -4.299 10.221 5.258 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.648 11.717 5.396 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.568 9.381 5.129 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.404 12.071 6.668 1.00 0.00 C ATOM 0 H ILE A 49 -1.898 10.867 5.560 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.954 9.915 7.365 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.723 10.081 4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.726 12.297 5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.246 12.019 4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.163 9.747 4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.299 8.339 4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.149 9.456 6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.609 13.142 6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.345 11.521 6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.801 11.804 7.536 1.00 0.00 H new ATOM 834 N VAL A 50 -3.596 7.453 7.138 1.00 0.00 N ATOM 835 CA VAL A 50 -3.314 6.048 7.091 1.00 0.00 C ATOM 836 C VAL A 50 -4.543 5.238 6.690 1.00 0.00 C ATOM 837 O VAL A 50 -5.656 5.432 7.215 1.00 0.00 O ATOM 838 CB VAL A 50 -2.680 5.506 8.412 1.00 0.00 C ATOM 839 CG1 VAL A 50 -1.337 6.175 8.670 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.605 5.704 9.612 1.00 0.00 C ATOM 0 H VAL A 50 -4.241 7.734 7.877 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.561 5.919 6.314 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.529 4.434 8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.909 5.786 9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.661 5.966 7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.478 7.252 8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.125 5.313 10.509 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.809 6.767 9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.542 5.173 9.441 1.00 0.00 H new ATOM 850 N ILE A 51 -4.356 4.400 5.720 1.00 0.00 N ATOM 851 CA ILE A 51 -5.383 3.504 5.240 1.00 0.00 C ATOM 852 C ILE A 51 -4.915 2.105 5.589 1.00 0.00 C ATOM 853 O ILE A 51 -3.762 1.794 5.372 1.00 0.00 O ATOM 854 CB ILE A 51 -5.536 3.630 3.695 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.785 5.099 3.299 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.660 2.728 3.185 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.905 5.340 1.803 1.00 0.00 C ATOM 0 H ILE A 51 -3.470 4.311 5.223 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.348 3.736 5.690 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.607 3.302 3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.699 5.442 3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.970 5.709 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.748 2.833 2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.434 1.691 3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.600 3.017 3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.079 6.400 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.983 5.032 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.739 4.761 1.407 1.00 0.00 H new ATOM 869 N LYS A 52 -5.755 1.285 6.153 1.00 0.00 N ATOM 870 CA LYS A 52 -5.321 -0.035 6.560 1.00 0.00 C ATOM 871 C LYS A 52 -5.336 -1.002 5.370 1.00 0.00 C ATOM 872 O LYS A 52 -6.157 -0.862 4.463 1.00 0.00 O ATOM 873 CB LYS A 52 -6.165 -0.560 7.723 1.00 0.00 C ATOM 874 CG LYS A 52 -5.628 -1.852 8.341 1.00 0.00 C ATOM 875 CD LYS A 52 -6.526 -2.389 9.444 1.00 0.00 C ATOM 876 CE LYS A 52 -6.616 -1.453 10.643 1.00 0.00 C ATOM 877 NZ LYS A 52 -5.343 -1.344 11.396 1.00 0.00 N ATOM 0 H LYS A 52 -6.735 1.496 6.343 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.293 0.039 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.219 0.207 8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.183 -0.731 7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.524 -2.607 7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.632 -1.671 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.526 -2.555 9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.150 -3.358 9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.914 -0.462 10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.398 -1.807 11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.522 -0.895 12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.946 -2.293 11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.668 -0.767 10.855 1.00 0.00 H new ATOM 891 N MET A 53 -4.446 -2.005 5.434 1.00 0.00 N ATOM 892 CA MET A 53 -4.177 -2.998 4.366 1.00 0.00 C ATOM 893 C MET A 53 -5.432 -3.609 3.773 1.00 0.00 C ATOM 894 O MET A 53 -5.536 -3.779 2.564 1.00 0.00 O ATOM 895 CB MET A 53 -3.299 -4.129 4.914 1.00 0.00 C ATOM 896 CG MET A 53 -1.924 -3.689 5.375 1.00 0.00 C ATOM 897 SD MET A 53 -0.938 -5.038 6.067 1.00 0.00 S ATOM 898 CE MET A 53 -1.892 -5.469 7.521 1.00 0.00 C ATOM 0 H MET A 53 -3.868 -2.158 6.261 1.00 0.00 H new ATOM 0 HA MET A 53 -3.671 -2.452 3.570 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.815 -4.600 5.750 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.183 -4.889 4.142 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.388 -3.251 4.533 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.033 -2.906 6.125 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.270 -6.043 8.208 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.233 -4.559 8.015 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.754 -6.067 7.226 1.00 0.00 H new ATOM 908 N ASP A 54 -6.382 -3.889 4.624 1.00 0.00 N ATOM 909 CA ASP A 54 -7.615 -4.587 4.244 1.00 0.00 C ATOM 910 C ASP A 54 -8.503 -3.763 3.304 1.00 0.00 C ATOM 911 O ASP A 54 -9.331 -4.311 2.573 1.00 0.00 O ATOM 912 CB ASP A 54 -8.389 -4.986 5.502 1.00 0.00 C ATOM 913 CG ASP A 54 -9.651 -5.780 5.222 1.00 0.00 C ATOM 914 OD1 ASP A 54 -9.552 -6.989 4.856 1.00 0.00 O ATOM 915 OD2 ASP A 54 -10.761 -5.230 5.402 1.00 0.00 O ATOM 0 H ASP A 54 -6.337 -3.644 5.613 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.325 -5.479 3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.737 -5.575 6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.654 -4.085 6.055 1.00 0.00 H new ATOM 920 N ASN A 55 -8.296 -2.465 3.286 1.00 0.00 N ATOM 921 CA ASN A 55 -9.124 -1.578 2.480 1.00 0.00 C ATOM 922 C ASN A 55 -8.564 -1.436 1.057 1.00 0.00 C ATOM 923 O ASN A 55 -9.246 -0.952 0.143 1.00 0.00 O ATOM 924 CB ASN A 55 -9.253 -0.205 3.174 1.00 0.00 C ATOM 925 CG ASN A 55 -10.205 0.746 2.463 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.408 0.708 2.692 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.683 1.622 1.640 1.00 0.00 N ATOM 0 H ASN A 55 -7.564 -1.995 3.818 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.119 -2.015 2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.598 -0.355 4.197 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.268 0.257 3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.283 2.299 1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.677 1.627 1.471 1.00 0.00 H new ATOM 934 N LEU A 56 -7.349 -1.891 0.864 1.00 0.00 N ATOM 935 CA LEU A 56 -6.695 -1.790 -0.430 1.00 0.00 C ATOM 936 C LEU A 56 -7.228 -2.836 -1.392 1.00 0.00 C ATOM 937 O LEU A 56 -7.645 -3.919 -0.972 1.00 0.00 O ATOM 938 CB LEU A 56 -5.155 -1.922 -0.321 1.00 0.00 C ATOM 939 CG LEU A 56 -4.361 -0.731 0.246 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.578 0.521 -0.584 1.00 0.00 C ATOM 941 CD2 LEU A 56 -4.705 -0.474 1.689 1.00 0.00 C ATOM 0 H LEU A 56 -6.786 -2.338 1.588 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.922 -0.796 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.938 -2.792 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.768 -2.136 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.305 -0.995 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.004 1.344 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.249 0.341 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.637 0.779 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.126 0.373 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.768 -0.251 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.470 -1.358 2.282 1.00 0.00 H new ATOM 953 N PRO A 57 -7.248 -2.529 -2.698 1.00 0.00 N ATOM 954 CA PRO A 57 -7.657 -3.486 -3.694 1.00 0.00 C ATOM 955 C PRO A 57 -6.614 -4.595 -3.844 1.00 0.00 C ATOM 956 O PRO A 57 -5.455 -4.449 -3.393 1.00 0.00 O ATOM 957 CB PRO A 57 -7.766 -2.675 -4.990 1.00 0.00 C ATOM 958 CG PRO A 57 -6.966 -1.445 -4.771 1.00 0.00 C ATOM 959 CD PRO A 57 -6.886 -1.224 -3.285 1.00 0.00 C ATOM 0 HA PRO A 57 -8.594 -3.977 -3.430 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.385 -3.243 -5.839 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.805 -2.431 -5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.969 -1.554 -5.198 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.432 -0.591 -5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.885 -0.917 -2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.571 -0.440 -2.963 1.00 0.00 H new ATOM 967 N ILE A 58 -7.006 -5.678 -4.494 1.00 0.00 N ATOM 968 CA ILE A 58 -6.141 -6.831 -4.679 1.00 0.00 C ATOM 969 C ILE A 58 -4.852 -6.495 -5.413 1.00 0.00 C ATOM 970 O ILE A 58 -3.837 -7.108 -5.169 1.00 0.00 O ATOM 971 CB ILE A 58 -6.885 -8.071 -5.291 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.700 -7.742 -6.570 1.00 0.00 C ATOM 973 CG2 ILE A 58 -7.779 -8.715 -4.254 1.00 0.00 C ATOM 974 CD1 ILE A 58 -6.887 -7.492 -7.819 1.00 0.00 C ATOM 0 H ILE A 58 -7.932 -5.783 -4.908 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.843 -7.134 -3.675 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.106 -8.770 -5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.385 -8.567 -6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.310 -6.860 -6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.287 -9.573 -4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.176 -9.045 -3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.519 -7.991 -3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.556 -7.272 -8.651 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.220 -6.645 -7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.297 -8.378 -8.053 1.00 0.00 H new ATOM 986 N GLU A 59 -4.913 -5.464 -6.258 1.00 0.00 N ATOM 987 CA GLU A 59 -3.763 -4.974 -7.012 1.00 0.00 C ATOM 988 C GLU A 59 -2.638 -4.620 -6.047 1.00 0.00 C ATOM 989 O GLU A 59 -1.533 -5.162 -6.108 1.00 0.00 O ATOM 990 CB GLU A 59 -4.154 -3.689 -7.758 1.00 0.00 C ATOM 991 CG GLU A 59 -5.378 -3.805 -8.647 1.00 0.00 C ATOM 992 CD GLU A 59 -5.769 -2.475 -9.254 1.00 0.00 C ATOM 993 OE1 GLU A 59 -6.420 -1.665 -8.569 1.00 0.00 O ATOM 994 OE2 GLU A 59 -5.423 -2.202 -10.425 1.00 0.00 O ATOM 0 H GLU A 59 -5.771 -4.943 -6.438 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.443 -5.746 -7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.330 -2.902 -7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.309 -3.372 -8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.180 -4.522 -9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.212 -4.197 -8.065 1.00 0.00 H new ATOM 1001 N VAL A 60 -2.979 -3.773 -5.104 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.032 -3.210 -4.170 1.00 0.00 C ATOM 1003 C VAL A 60 -1.600 -4.253 -3.169 1.00 0.00 C ATOM 1004 O VAL A 60 -0.413 -4.430 -2.926 1.00 0.00 O ATOM 1005 CB VAL A 60 -2.655 -2.016 -3.422 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -1.630 -1.305 -2.545 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.295 -1.054 -4.395 1.00 0.00 C ATOM 0 H VAL A 60 -3.936 -3.451 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.164 -2.867 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.431 -2.406 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.106 -0.469 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.235 -2.004 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.815 -0.934 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.729 -0.218 -3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.540 -0.681 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.078 -1.568 -4.953 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.571 -4.976 -2.625 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.300 -5.993 -1.619 1.00 0.00 C ATOM 1019 C LYS A 61 -1.364 -7.049 -2.141 1.00 0.00 C ATOM 1020 O LYS A 61 -0.456 -7.490 -1.433 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.589 -6.622 -1.108 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.475 -5.631 -0.400 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.694 -6.286 0.245 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.632 -6.897 -0.786 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.836 -7.463 -0.156 1.00 0.00 N ATOM 0 H LYS A 61 -3.557 -4.875 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.810 -5.496 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.134 -7.057 -1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.346 -7.438 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.896 -5.116 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.808 -4.875 -1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.364 -7.060 0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.235 -5.544 0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.923 -6.136 -1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.108 -7.678 -1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.452 -7.870 -0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.559 -8.206 0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.349 -6.713 0.349 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.558 -7.414 -3.385 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.724 -8.412 -4.038 1.00 0.00 C ATOM 1041 C ASP A 62 0.722 -7.932 -4.103 1.00 0.00 C ATOM 1042 O ASP A 62 1.641 -8.680 -3.756 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.243 -8.737 -5.440 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.468 -9.836 -6.119 1.00 0.00 C ATOM 1045 OD1 ASP A 62 -0.796 -11.030 -5.928 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.466 -9.545 -6.880 1.00 0.00 O ATOM 0 H ASP A 62 -2.295 -7.033 -3.978 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.766 -9.326 -3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.291 -9.028 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.200 -7.838 -6.054 1.00 0.00 H new ATOM 1051 N LYS A 63 0.902 -6.670 -4.488 1.00 0.00 N ATOM 1052 CA LYS A 63 2.230 -6.049 -4.564 1.00 0.00 C ATOM 1053 C LYS A 63 2.882 -6.015 -3.186 1.00 0.00 C ATOM 1054 O LYS A 63 4.023 -6.470 -3.012 1.00 0.00 O ATOM 1055 CB LYS A 63 2.116 -4.623 -5.103 1.00 0.00 C ATOM 1056 CG LYS A 63 1.448 -4.524 -6.457 1.00 0.00 C ATOM 1057 CD LYS A 63 2.234 -5.237 -7.537 1.00 0.00 C ATOM 1058 CE LYS A 63 1.510 -5.198 -8.867 1.00 0.00 C ATOM 1059 NZ LYS A 63 2.264 -5.897 -9.915 1.00 0.00 N ATOM 0 H LYS A 63 0.138 -6.049 -4.755 1.00 0.00 H new ATOM 0 HA LYS A 63 2.847 -6.644 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.555 -4.020 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.114 -4.191 -5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.446 -4.950 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.333 -3.474 -6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.215 -4.773 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.402 -6.273 -7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.526 -5.655 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.349 -4.162 -9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.738 -5.850 -10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.193 -5.445 -10.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.396 -6.892 -9.643 1.00 0.00 H new ATOM 1073 N LEU A 64 2.121 -5.522 -2.201 1.00 0.00 N ATOM 1074 CA LEU A 64 2.586 -5.403 -0.819 1.00 0.00 C ATOM 1075 C LEU A 64 3.046 -6.756 -0.293 1.00 0.00 C ATOM 1076 O LEU A 64 4.075 -6.862 0.393 1.00 0.00 O ATOM 1077 CB LEU A 64 1.470 -4.859 0.091 1.00 0.00 C ATOM 1078 CG LEU A 64 0.838 -3.512 -0.302 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.204 -3.091 0.721 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.890 -2.425 -0.475 1.00 0.00 C ATOM 0 H LEU A 64 1.165 -5.195 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 64 3.424 -4.706 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.676 -5.605 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.873 -4.762 1.099 1.00 0.00 H new ATOM 0 HG LEU A 64 0.346 -3.649 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.639 -2.136 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.988 -3.846 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.267 -2.988 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.404 -1.489 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.431 -2.289 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.589 -2.717 -1.259 1.00 0.00 H new ATOM 1092 N THR A 65 2.299 -7.787 -0.646 1.00 0.00 N ATOM 1093 CA THR A 65 2.596 -9.139 -0.242 1.00 0.00 C ATOM 1094 C THR A 65 3.930 -9.601 -0.826 1.00 0.00 C ATOM 1095 O THR A 65 4.814 -10.005 -0.093 1.00 0.00 O ATOM 1096 CB THR A 65 1.455 -10.110 -0.653 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.205 -9.652 -0.102 1.00 0.00 O ATOM 1098 CG2 THR A 65 1.725 -11.526 -0.149 1.00 0.00 C ATOM 0 H THR A 65 1.464 -7.703 -1.226 1.00 0.00 H new ATOM 0 HA THR A 65 2.675 -9.151 0.845 1.00 0.00 H new ATOM 0 HB THR A 65 1.406 -10.127 -1.742 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.268 -9.111 -0.769 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.909 -12.182 -0.452 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.661 -11.891 -0.573 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.798 -11.517 0.938 1.00 0.00 H new ATOM 1106 N ARG A 66 4.103 -9.439 -2.121 1.00 0.00 N ATOM 1107 CA ARG A 66 5.292 -9.957 -2.793 1.00 0.00 C ATOM 1108 C ARG A 66 6.558 -9.195 -2.419 1.00 0.00 C ATOM 1109 O ARG A 66 7.665 -9.715 -2.573 1.00 0.00 O ATOM 1110 CB ARG A 66 5.093 -9.994 -4.304 1.00 0.00 C ATOM 1111 CG ARG A 66 3.857 -10.767 -4.693 1.00 0.00 C ATOM 1112 CD ARG A 66 3.699 -10.926 -6.186 1.00 0.00 C ATOM 1113 NE ARG A 66 2.368 -11.452 -6.490 1.00 0.00 N ATOM 1114 CZ ARG A 66 2.056 -12.732 -6.723 1.00 0.00 C ATOM 1115 NH1 ARG A 66 3.001 -13.637 -6.926 1.00 0.00 N ATOM 1116 NH2 ARG A 66 0.782 -13.079 -6.791 1.00 0.00 N ATOM 0 H ARG A 66 3.444 -8.957 -2.732 1.00 0.00 H new ATOM 0 HA ARG A 66 5.432 -10.979 -2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.018 -8.975 -4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.966 -10.447 -4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.893 -11.754 -4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.979 -10.260 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.842 -9.965 -6.680 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.463 -11.600 -6.572 1.00 0.00 H new ATOM 0 HE ARG A 66 1.604 -10.777 -6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.983 -13.362 -6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.747 -14.609 -7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.054 -12.375 -6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.527 -14.051 -6.968 1.00 0.00 H new ATOM 1130 N PHE A 67 6.400 -7.983 -1.923 1.00 0.00 N ATOM 1131 CA PHE A 67 7.542 -7.204 -1.512 1.00 0.00 C ATOM 1132 C PHE A 67 7.870 -7.485 -0.040 1.00 0.00 C ATOM 1133 O PHE A 67 8.974 -7.939 0.287 1.00 0.00 O ATOM 1134 CB PHE A 67 7.245 -5.702 -1.713 1.00 0.00 C ATOM 1135 CG PHE A 67 8.430 -4.754 -1.541 1.00 0.00 C ATOM 1136 CD1 PHE A 67 8.810 -4.274 -0.284 1.00 0.00 C ATOM 1137 CD2 PHE A 67 9.144 -4.323 -2.648 1.00 0.00 C ATOM 1138 CE1 PHE A 67 9.869 -3.401 -0.151 1.00 0.00 C ATOM 1139 CE2 PHE A 67 10.203 -3.444 -2.513 1.00 0.00 C ATOM 1140 CZ PHE A 67 10.564 -2.984 -1.262 1.00 0.00 C ATOM 0 H PHE A 67 5.498 -7.523 -1.797 1.00 0.00 H new ATOM 0 HA PHE A 67 8.403 -7.483 -2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.838 -5.564 -2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.466 -5.409 -1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.267 -4.591 0.594 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.869 -4.679 -3.630 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.153 -3.044 0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.748 -3.117 -3.386 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.391 -2.298 -1.156 1.00 0.00 H new ATOM 1150 N PHE A 68 6.927 -7.211 0.848 1.00 0.00 N ATOM 1151 CA PHE A 68 7.183 -7.367 2.276 1.00 0.00 C ATOM 1152 C PHE A 68 6.217 -8.321 3.012 1.00 0.00 C ATOM 1153 O PHE A 68 6.645 -9.155 3.805 1.00 0.00 O ATOM 1154 CB PHE A 68 7.250 -5.994 2.989 1.00 0.00 C ATOM 1155 CG PHE A 68 5.981 -5.178 2.914 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.729 -4.344 1.837 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.039 -5.260 3.920 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.568 -3.613 1.771 1.00 0.00 C ATOM 1159 CE2 PHE A 68 3.880 -4.537 3.853 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.642 -3.710 2.779 1.00 0.00 C ATOM 0 H PHE A 68 5.990 -6.884 0.613 1.00 0.00 H new ATOM 0 HA PHE A 68 8.158 -7.851 2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.499 -6.157 4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.064 -5.414 2.554 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.454 -4.268 1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.219 -5.902 4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.384 -2.964 0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.150 -4.615 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.727 -3.138 2.730 1.00 0.00 H new ATOM 1170 N LEU A 69 4.930 -8.216 2.718 1.00 0.00 N ATOM 1171 CA LEU A 69 3.868 -8.840 3.537 1.00 0.00 C ATOM 1172 C LEU A 69 3.690 -10.355 3.263 1.00 0.00 C ATOM 1173 O LEU A 69 2.724 -10.979 3.710 1.00 0.00 O ATOM 1174 CB LEU A 69 2.547 -8.055 3.337 1.00 0.00 C ATOM 1175 CG LEU A 69 1.381 -8.375 4.275 1.00 0.00 C ATOM 1176 CD1 LEU A 69 1.713 -7.972 5.709 1.00 0.00 C ATOM 1177 CD2 LEU A 69 0.116 -7.687 3.795 1.00 0.00 C ATOM 0 H LEU A 69 4.579 -7.701 1.911 1.00 0.00 H new ATOM 0 HA LEU A 69 4.171 -8.780 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.771 -6.992 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.210 -8.221 2.314 1.00 0.00 H new ATOM 0 HG LEU A 69 1.211 -9.452 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.870 -8.209 6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.594 -8.518 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.912 -6.901 5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.706 -7.923 4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.273 -6.608 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.129 -8.035 2.791 1.00 0.00 H new