USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 712 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 25 THR OG1 : rot 180:sc= 0.161 USER MOD Set 1.2: A 28 GLN : amide:sc= 0 X(o=0.16,f=-0.31) USER MOD Single : A 4 ASN : amide:sc= -0.362 K(o=-0.36,f=-3.1!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0771) USER MOD Single : A 22 ASN : amide:sc= -0.393 K(o=-0.39,f=-4.7!) USER MOD Single : A 23 TYR OH : rot -59:sc=-0.00312 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 46:sc= 1.22 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc=-0.00818 K(o=-0.0082,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0453 F(o=-1.5,f=-0.045) USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 90 SER OG : rot 120:sc= 2 USER MOD Single : A 91 SER OG : rot 51:sc= 0.00635 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 107:sc= 0.649 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0183 USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 3 7.728 -0.172 10.549 1.00 0.00 N ATOM 28 CA ILE A 3 6.291 -0.371 10.458 1.00 0.00 C ATOM 29 C ILE A 3 5.930 -0.802 9.035 1.00 0.00 C ATOM 30 O ILE A 3 6.080 -0.029 8.091 1.00 0.00 O ATOM 31 CB ILE A 3 5.546 0.879 10.929 1.00 0.00 C ATOM 32 CG1 ILE A 3 5.870 1.192 12.392 1.00 0.00 C ATOM 33 CG2 ILE A 3 4.040 0.742 10.692 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.368 2.584 12.779 1.00 0.00 C ATOM 0 HA ILE A 3 5.974 -1.173 11.125 1.00 0.00 H new ATOM 0 HB ILE A 3 5.890 1.726 10.335 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.411 0.443 13.038 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.947 1.133 12.550 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.534 1.644 11.036 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.850 0.603 9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.662 -0.119 11.244 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.611 2.781 13.823 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.847 3.332 12.147 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.288 2.632 12.643 1.00 0.00 H new ATOM 46 N ASN A 4 5.460 -2.036 8.926 1.00 0.00 N ATOM 47 CA ASN A 4 5.233 -2.639 7.624 1.00 0.00 C ATOM 48 C ASN A 4 4.243 -3.796 7.767 1.00 0.00 C ATOM 49 O ASN A 4 4.379 -4.821 7.101 1.00 0.00 O ATOM 50 CB ASN A 4 6.533 -3.199 7.042 1.00 0.00 C ATOM 51 CG ASN A 4 7.044 -4.377 7.874 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.918 -4.414 9.087 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.625 -5.334 7.157 1.00 0.00 N ATOM 0 H ASN A 4 5.230 -2.635 9.719 1.00 0.00 H new ATOM 0 HA ASN A 4 4.842 -1.868 6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.366 -3.521 6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.290 -2.415 7.012 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.998 -6.163 7.620 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.697 -5.240 6.144 1.00 0.00 H new ATOM 60 N THR A 5 3.268 -3.593 8.641 1.00 0.00 N ATOM 61 CA THR A 5 2.209 -4.572 8.821 1.00 0.00 C ATOM 62 C THR A 5 0.846 -3.943 8.526 1.00 0.00 C ATOM 63 O THR A 5 0.726 -2.721 8.442 1.00 0.00 O ATOM 64 CB THR A 5 2.323 -5.137 10.239 1.00 0.00 C ATOM 65 OG1 THR A 5 2.215 -3.991 11.079 1.00 0.00 O ATOM 66 CG2 THR A 5 3.718 -5.688 10.538 1.00 0.00 C ATOM 0 H THR A 5 3.189 -2.765 9.232 1.00 0.00 H new ATOM 0 HA THR A 5 2.310 -5.398 8.117 1.00 0.00 H new ATOM 0 HB THR A 5 1.584 -5.926 10.376 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.277 -4.266 12.017 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.745 -6.076 11.556 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.950 -6.490 9.837 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.454 -4.891 10.434 1.00 0.00 H new ATOM 74 N PHE A 6 -0.149 -4.806 8.376 1.00 0.00 N ATOM 75 CA PHE A 6 -1.487 -4.354 8.036 1.00 0.00 C ATOM 76 C PHE A 6 -2.045 -3.427 9.119 1.00 0.00 C ATOM 77 O PHE A 6 -2.580 -2.363 8.815 1.00 0.00 O ATOM 78 CB PHE A 6 -2.370 -5.600 7.944 1.00 0.00 C ATOM 79 CG PHE A 6 -2.104 -6.461 6.708 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.398 -5.982 5.469 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.573 -7.705 6.847 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.151 -6.781 4.322 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.326 -8.504 5.700 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.620 -8.026 4.461 1.00 0.00 C ATOM 0 H PHE A 6 -0.055 -5.816 8.484 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.465 -3.800 7.097 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.218 -6.207 8.837 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.416 -5.292 7.942 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.819 -4.994 5.358 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.339 -8.085 7.830 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.385 -6.401 3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.904 -9.492 5.811 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.432 -8.634 3.588 1.00 0.00 H new ATOM 94 N ASP A 7 -1.900 -3.866 10.361 1.00 0.00 N ATOM 95 CA ASP A 7 -2.430 -3.116 11.486 1.00 0.00 C ATOM 96 C ASP A 7 -1.551 -1.889 11.736 1.00 0.00 C ATOM 97 O ASP A 7 -2.056 -0.814 12.054 1.00 0.00 O ATOM 98 CB ASP A 7 -2.433 -3.963 12.760 1.00 0.00 C ATOM 99 CG ASP A 7 -3.196 -5.285 12.657 1.00 0.00 C ATOM 100 OD1 ASP A 7 -2.670 -6.193 11.978 1.00 0.00 O ATOM 101 OD2 ASP A 7 -4.290 -5.357 13.259 1.00 0.00 O ATOM 0 H ASP A 7 -1.423 -4.732 10.612 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.452 -2.824 11.245 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.401 -4.177 13.038 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.865 -3.374 13.569 1.00 0.00 H new ATOM 106 N GLY A 8 -0.251 -2.092 11.582 1.00 0.00 N ATOM 107 CA GLY A 8 0.715 -1.073 11.957 1.00 0.00 C ATOM 108 C GLY A 8 0.622 0.139 11.027 1.00 0.00 C ATOM 109 O GLY A 8 0.583 1.278 11.488 1.00 0.00 O ATOM 0 H GLY A 8 0.156 -2.947 11.203 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.538 -0.761 12.986 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.722 -1.489 11.918 1.00 0.00 H new ATOM 113 N VAL A 9 0.590 -0.149 9.734 1.00 0.00 N ATOM 114 CA VAL A 9 0.506 0.903 8.735 1.00 0.00 C ATOM 115 C VAL A 9 -0.856 1.592 8.839 1.00 0.00 C ATOM 116 O VAL A 9 -0.947 2.814 8.731 1.00 0.00 O ATOM 117 CB VAL A 9 0.779 0.326 7.344 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.514 1.370 6.257 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.205 -0.218 7.246 1.00 0.00 C ATOM 0 H VAL A 9 0.621 -1.096 9.355 1.00 0.00 H new ATOM 0 HA VAL A 9 1.268 1.661 8.914 1.00 0.00 H new ATOM 0 HB VAL A 9 0.092 -0.506 7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.715 0.935 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.527 1.689 6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.165 2.230 6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.372 -0.622 6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.915 0.587 7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.345 -1.007 7.985 1.00 0.00 H new ATOM 129 N ALA A 10 -1.881 0.779 9.049 1.00 0.00 N ATOM 130 CA ALA A 10 -3.231 1.297 9.185 1.00 0.00 C ATOM 131 C ALA A 10 -3.265 2.332 10.311 1.00 0.00 C ATOM 132 O ALA A 10 -3.898 3.378 10.179 1.00 0.00 O ATOM 133 CB ALA A 10 -4.201 0.139 9.428 1.00 0.00 C ATOM 0 H ALA A 10 -1.803 -0.235 9.128 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.544 1.797 8.268 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.214 0.528 9.530 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.161 -0.552 8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.920 -0.385 10.341 1.00 0.00 H new ATOM 139 N ASP A 11 -2.576 2.004 11.394 1.00 0.00 N ATOM 140 CA ASP A 11 -2.528 2.887 12.547 1.00 0.00 C ATOM 141 C ASP A 11 -1.833 4.192 12.156 1.00 0.00 C ATOM 142 O ASP A 11 -2.286 5.275 12.524 1.00 0.00 O ATOM 143 CB ASP A 11 -1.736 2.254 13.693 1.00 0.00 C ATOM 144 CG ASP A 11 -2.577 1.804 14.889 1.00 0.00 C ATOM 145 OD1 ASP A 11 -3.163 0.704 14.790 1.00 0.00 O ATOM 146 OD2 ASP A 11 -2.616 2.570 15.876 1.00 0.00 O ATOM 0 H ASP A 11 -2.046 1.139 11.497 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.551 3.070 12.874 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.192 1.393 13.306 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.992 2.971 14.040 1.00 0.00 H new ATOM 151 N TYR A 12 -0.744 4.047 11.415 1.00 0.00 N ATOM 152 CA TYR A 12 0.118 5.179 11.122 1.00 0.00 C ATOM 153 C TYR A 12 -0.576 6.168 10.183 1.00 0.00 C ATOM 154 O TYR A 12 -0.372 7.376 10.288 1.00 0.00 O ATOM 155 CB TYR A 12 1.347 4.602 10.417 1.00 0.00 C ATOM 156 CG TYR A 12 2.550 5.546 10.390 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.661 6.494 9.393 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.524 5.450 11.363 1.00 0.00 C ATOM 159 CE1 TYR A 12 3.794 7.383 9.369 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.657 6.338 11.338 1.00 0.00 C ATOM 161 CZ TYR A 12 4.736 7.261 10.342 1.00 0.00 C ATOM 162 OH TYR A 12 5.806 8.101 10.318 1.00 0.00 O ATOM 0 H TYR A 12 -0.439 3.162 11.009 1.00 0.00 H new ATOM 0 HA TYR A 12 0.373 5.714 12.037 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.636 3.676 10.913 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.078 4.344 9.393 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.899 6.569 8.631 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.436 4.709 12.143 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.893 8.130 8.595 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.427 6.273 12.093 1.00 0.00 H new ATOM 0 HH TYR A 12 6.397 7.900 11.074 1.00 0.00 H new ATOM 172 N LEU A 13 -1.383 5.618 9.287 1.00 0.00 N ATOM 173 CA LEU A 13 -2.227 6.440 8.436 1.00 0.00 C ATOM 174 C LEU A 13 -3.133 7.309 9.310 1.00 0.00 C ATOM 175 O LEU A 13 -3.102 8.535 9.216 1.00 0.00 O ATOM 176 CB LEU A 13 -2.989 5.568 7.436 1.00 0.00 C ATOM 177 CG LEU A 13 -2.198 5.105 6.211 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.539 3.657 5.853 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.414 6.053 5.029 1.00 0.00 C ATOM 0 H LEU A 13 -1.470 4.614 9.132 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.619 7.117 7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.358 4.686 7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.862 6.123 7.092 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.137 5.134 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.963 3.353 4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.294 3.007 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.603 3.578 5.632 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.841 5.701 4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.473 6.079 4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.082 7.055 5.301 1.00 0.00 H new ATOM 191 N ILE A 14 -3.918 6.640 10.141 1.00 0.00 N ATOM 192 CA ILE A 14 -4.893 7.330 10.969 1.00 0.00 C ATOM 193 C ILE A 14 -4.188 8.421 11.777 1.00 0.00 C ATOM 194 O ILE A 14 -4.712 9.524 11.927 1.00 0.00 O ATOM 195 CB ILE A 14 -5.668 6.331 11.830 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.661 5.532 10.983 1.00 0.00 C ATOM 197 CG2 ILE A 14 -6.352 7.034 13.004 1.00 0.00 C ATOM 198 CD1 ILE A 14 -7.951 6.323 10.758 1.00 0.00 C ATOM 0 H ILE A 14 -3.899 5.627 10.259 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.639 7.825 10.347 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.958 5.619 12.251 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.209 5.286 10.022 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.890 4.589 11.479 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.896 6.301 13.600 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.600 7.521 13.625 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.048 7.782 12.625 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.639 5.732 10.153 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.413 6.547 11.720 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.721 7.254 10.241 1.00 0.00 H new ATOM 210 N ARG A 15 -3.011 8.075 12.277 1.00 0.00 N ATOM 211 CA ARG A 15 -2.317 8.935 13.221 1.00 0.00 C ATOM 212 C ARG A 15 -1.778 10.178 12.511 1.00 0.00 C ATOM 213 O ARG A 15 -2.214 11.294 12.790 1.00 0.00 O ATOM 214 CB ARG A 15 -1.157 8.195 13.889 1.00 0.00 C ATOM 215 CG ARG A 15 -0.991 8.635 15.345 1.00 0.00 C ATOM 216 CD ARG A 15 0.015 7.744 16.077 1.00 0.00 C ATOM 217 NE ARG A 15 -0.535 6.379 16.229 1.00 0.00 N ATOM 218 CZ ARG A 15 0.185 5.318 16.618 1.00 0.00 C ATOM 219 NH1 ARG A 15 1.460 5.476 17.000 1.00 0.00 N ATOM 220 NH2 ARG A 15 -0.369 4.098 16.624 1.00 0.00 N ATOM 0 H ARG A 15 -2.520 7.211 12.046 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.033 9.232 13.987 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.335 7.120 13.848 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.235 8.386 13.340 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.656 9.672 15.379 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.955 8.595 15.853 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.952 7.708 15.522 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.241 8.165 17.057 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.524 6.237 16.025 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.883 6.404 16.995 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.008 4.668 17.296 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.339 3.977 16.332 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.179 3.290 16.920 1.00 0.00 H new ATOM 234 N TYR A 16 -0.839 9.944 11.607 1.00 0.00 N ATOM 235 CA TYR A 16 -0.046 11.028 11.052 1.00 0.00 C ATOM 236 C TYR A 16 -0.644 11.527 9.735 1.00 0.00 C ATOM 237 O TYR A 16 -0.169 12.508 9.165 1.00 0.00 O ATOM 238 CB TYR A 16 1.340 10.441 10.779 1.00 0.00 C ATOM 239 CG TYR A 16 2.084 9.991 12.038 1.00 0.00 C ATOM 240 CD1 TYR A 16 2.633 10.930 12.887 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.207 8.647 12.324 1.00 0.00 C ATOM 242 CE1 TYR A 16 3.334 10.507 14.072 1.00 0.00 C ATOM 243 CE2 TYR A 16 2.908 8.223 13.508 1.00 0.00 C ATOM 244 CZ TYR A 16 3.437 9.175 14.324 1.00 0.00 C ATOM 245 OH TYR A 16 4.099 8.775 15.443 1.00 0.00 O ATOM 0 H TYR A 16 -0.609 9.019 11.244 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.014 11.871 11.742 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.237 9.589 10.107 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.943 11.186 10.260 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.537 11.982 12.663 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.777 7.912 11.659 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.768 11.232 14.745 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.012 7.174 13.743 1.00 0.00 H new ATOM 0 HH TYR A 16 4.093 7.796 15.495 1.00 0.00 H new ATOM 255 N LYS A 17 -1.679 10.829 9.290 1.00 0.00 N ATOM 256 CA LYS A 17 -2.336 11.178 8.043 1.00 0.00 C ATOM 257 C LYS A 17 -1.325 11.098 6.898 1.00 0.00 C ATOM 258 O LYS A 17 -1.272 11.985 6.048 1.00 0.00 O ATOM 259 CB LYS A 17 -3.023 12.540 8.162 1.00 0.00 C ATOM 260 CG LYS A 17 -4.099 12.519 9.250 1.00 0.00 C ATOM 261 CD LYS A 17 -3.685 13.374 10.448 1.00 0.00 C ATOM 262 CE LYS A 17 -4.648 13.179 11.621 1.00 0.00 C ATOM 263 NZ LYS A 17 -5.998 13.674 11.269 1.00 0.00 N ATOM 0 H LYS A 17 -2.078 10.023 9.771 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.129 10.465 7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.282 13.306 8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.473 12.809 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.040 12.889 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.273 11.493 9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.673 13.109 10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.666 14.425 10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.699 12.123 11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.276 13.710 12.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.604 13.661 12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.928 14.647 10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.412 13.062 10.537 1.00 0.00 H new ATOM 277 N ARG A 18 -0.546 10.026 6.913 1.00 0.00 N ATOM 278 CA ARG A 18 0.282 9.686 5.768 1.00 0.00 C ATOM 279 C ARG A 18 0.787 8.247 5.887 1.00 0.00 C ATOM 280 O ARG A 18 0.577 7.594 6.907 1.00 0.00 O ATOM 281 CB ARG A 18 1.479 10.632 5.655 1.00 0.00 C ATOM 282 CG ARG A 18 2.142 10.843 7.017 1.00 0.00 C ATOM 283 CD ARG A 18 3.555 11.410 6.858 1.00 0.00 C ATOM 284 NE ARG A 18 3.490 12.778 6.298 1.00 0.00 N ATOM 285 CZ ARG A 18 4.563 13.484 5.913 1.00 0.00 C ATOM 286 NH1 ARG A 18 5.793 12.984 6.091 1.00 0.00 N ATOM 287 NH2 ARG A 18 4.405 14.689 5.349 1.00 0.00 N ATOM 0 H ARG A 18 -0.471 9.382 7.700 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.332 9.786 4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.205 10.223 4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.152 11.591 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.539 11.524 7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.185 9.896 7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.060 11.427 7.824 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.142 10.767 6.202 1.00 0.00 H new ATOM 0 HE ARG A 18 2.572 13.211 6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.913 12.066 6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.609 13.521 5.798 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.468 15.069 5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.221 15.226 5.056 1.00 0.00 H new ATOM 301 N LEU A 19 1.444 7.795 4.828 1.00 0.00 N ATOM 302 CA LEU A 19 2.196 6.553 4.889 1.00 0.00 C ATOM 303 C LEU A 19 3.426 6.750 5.778 1.00 0.00 C ATOM 304 O LEU A 19 3.828 7.881 6.046 1.00 0.00 O ATOM 305 CB LEU A 19 2.529 6.060 3.480 1.00 0.00 C ATOM 306 CG LEU A 19 1.377 5.420 2.703 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.796 5.095 1.268 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.838 4.190 3.435 1.00 0.00 C ATOM 0 H LEU A 19 1.471 8.266 3.924 1.00 0.00 H new ATOM 0 HA LEU A 19 1.596 5.765 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.907 6.903 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.339 5.334 3.553 1.00 0.00 H new ATOM 0 HG LEU A 19 0.563 6.142 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.958 4.641 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.093 6.012 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.636 4.400 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.020 3.754 2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.635 3.455 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.474 4.483 4.420 1.00 0.00 H new ATOM 320 N PRO A 20 4.003 5.602 6.223 1.00 0.00 N ATOM 321 CA PRO A 20 5.328 5.613 6.818 1.00 0.00 C ATOM 322 C PRO A 20 6.409 5.783 5.748 1.00 0.00 C ATOM 323 O PRO A 20 6.137 5.636 4.558 1.00 0.00 O ATOM 324 CB PRO A 20 5.435 4.293 7.565 1.00 0.00 C ATOM 325 CG PRO A 20 4.356 3.395 6.981 1.00 0.00 C ATOM 326 CD PRO A 20 3.412 4.268 6.170 1.00 0.00 C ATOM 0 HA PRO A 20 5.477 6.453 7.496 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.423 3.851 7.437 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.287 4.437 8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.800 2.625 6.350 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.814 2.883 7.776 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.328 3.913 5.143 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.407 4.263 6.592 1.00 0.00 H new ATOM 334 N ASP A 21 7.612 6.090 6.211 1.00 0.00 N ATOM 335 CA ASP A 21 8.665 6.539 5.317 1.00 0.00 C ATOM 336 C ASP A 21 9.459 5.328 4.823 1.00 0.00 C ATOM 337 O ASP A 21 10.445 5.479 4.104 1.00 0.00 O ATOM 338 CB ASP A 21 9.636 7.478 6.037 1.00 0.00 C ATOM 339 CG ASP A 21 10.636 8.194 5.128 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.169 8.986 4.281 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.847 7.933 5.300 1.00 0.00 O ATOM 0 H ASP A 21 7.880 6.037 7.194 1.00 0.00 H new ATOM 0 HA ASP A 21 8.199 7.069 4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.059 8.227 6.579 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.190 6.904 6.780 1.00 0.00 H new ATOM 346 N ASN A 22 8.998 4.153 5.228 1.00 0.00 N ATOM 347 CA ASN A 22 9.669 2.919 4.858 1.00 0.00 C ATOM 348 C ASN A 22 9.257 2.523 3.439 1.00 0.00 C ATOM 349 O ASN A 22 9.810 1.586 2.866 1.00 0.00 O ATOM 350 CB ASN A 22 9.279 1.777 5.799 1.00 0.00 C ATOM 351 CG ASN A 22 7.818 1.373 5.595 1.00 0.00 C ATOM 352 OD1 ASN A 22 6.944 2.195 5.375 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.602 0.063 5.679 1.00 0.00 N ATOM 0 H ASN A 22 8.168 4.030 5.808 1.00 0.00 H new ATOM 0 HA ASN A 22 10.744 3.089 4.921 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.926 0.918 5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.434 2.084 6.833 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.660 -0.307 5.557 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.379 -0.571 5.866 1.00 0.00 H new ATOM 360 N TYR A 23 8.287 3.257 2.913 1.00 0.00 N ATOM 361 CA TYR A 23 7.835 3.034 1.551 1.00 0.00 C ATOM 362 C TYR A 23 8.372 4.115 0.610 1.00 0.00 C ATOM 363 O TYR A 23 8.215 5.306 0.873 1.00 0.00 O ATOM 364 CB TYR A 23 6.308 3.125 1.593 1.00 0.00 C ATOM 365 CG TYR A 23 5.641 2.017 2.411 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.142 0.732 2.369 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.539 2.304 3.190 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.514 -0.310 3.139 1.00 0.00 C ATOM 369 CE2 TYR A 23 3.911 1.261 3.960 1.00 0.00 C ATOM 370 CZ TYR A 23 4.429 0.006 3.897 1.00 0.00 C ATOM 371 OH TYR A 23 3.836 -0.979 4.624 1.00 0.00 O ATOM 0 H TYR A 23 7.802 4.007 3.406 1.00 0.00 H new ATOM 0 HA TYR A 23 8.187 2.070 1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.023 4.091 2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.924 3.091 0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.005 0.508 1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.147 3.310 3.222 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.896 -1.320 3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.048 1.472 4.574 1.00 0.00 H new ATOM 0 HH TYR A 23 3.539 -1.695 4.024 1.00 0.00 H new ATOM 381 N ILE A 24 8.996 3.660 -0.467 1.00 0.00 N ATOM 382 CA ILE A 24 9.357 4.553 -1.555 1.00 0.00 C ATOM 383 C ILE A 24 8.344 4.398 -2.692 1.00 0.00 C ATOM 384 O ILE A 24 7.582 3.433 -2.723 1.00 0.00 O ATOM 385 CB ILE A 24 10.805 4.315 -1.986 1.00 0.00 C ATOM 386 CG1 ILE A 24 11.012 2.868 -2.439 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.780 4.712 -0.875 1.00 0.00 C ATOM 388 CD1 ILE A 24 12.334 2.714 -3.194 1.00 0.00 C ATOM 0 H ILE A 24 9.261 2.685 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 24 9.313 5.591 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 24 11.015 4.954 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.005 2.207 -1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.185 2.562 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.803 4.533 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.654 5.769 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.578 4.117 0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.457 1.676 -3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.328 3.358 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 24 13.160 2.998 -2.542 1.00 0.00 H new ATOM 400 N THR A 25 8.369 5.364 -3.598 1.00 0.00 N ATOM 401 CA THR A 25 7.470 5.342 -4.740 1.00 0.00 C ATOM 402 C THR A 25 8.073 4.518 -5.878 1.00 0.00 C ATOM 403 O THR A 25 9.269 4.228 -5.874 1.00 0.00 O ATOM 404 CB THR A 25 7.168 6.790 -5.132 1.00 0.00 C ATOM 405 OG1 THR A 25 8.368 7.492 -4.820 1.00 0.00 O ATOM 406 CG2 THR A 25 6.114 7.434 -4.228 1.00 0.00 C ATOM 0 H THR A 25 8.997 6.167 -3.565 1.00 0.00 H new ATOM 0 HA THR A 25 6.528 4.854 -4.492 1.00 0.00 H new ATOM 0 HB THR A 25 6.827 6.822 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.260 8.440 -5.045 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.937 8.460 -4.549 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.185 6.868 -4.293 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.469 7.433 -3.197 1.00 0.00 H new ATOM 414 N LYS A 26 7.219 4.163 -6.827 1.00 0.00 N ATOM 415 CA LYS A 26 7.668 3.450 -8.011 1.00 0.00 C ATOM 416 C LYS A 26 8.787 4.246 -8.685 1.00 0.00 C ATOM 417 O LYS A 26 9.828 3.688 -9.032 1.00 0.00 O ATOM 418 CB LYS A 26 6.487 3.147 -8.934 1.00 0.00 C ATOM 419 CG LYS A 26 5.621 2.021 -8.365 1.00 0.00 C ATOM 420 CD LYS A 26 4.389 1.781 -9.239 1.00 0.00 C ATOM 421 CE LYS A 26 4.786 1.216 -10.604 1.00 0.00 C ATOM 422 NZ LYS A 26 4.598 2.234 -11.662 1.00 0.00 N ATOM 0 H LYS A 26 6.218 4.356 -6.800 1.00 0.00 H new ATOM 0 HA LYS A 26 8.085 2.481 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.883 4.045 -9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.855 2.865 -9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.208 1.105 -8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.309 2.274 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.713 1.089 -8.738 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.846 2.717 -9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.827 0.894 -10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.185 0.335 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.872 1.834 -12.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.599 2.521 -11.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.190 3.063 -11.455 1.00 0.00 H new ATOM 436 N SER A 27 8.536 5.536 -8.852 1.00 0.00 N ATOM 437 CA SER A 27 9.454 6.388 -9.588 1.00 0.00 C ATOM 438 C SER A 27 10.832 6.371 -8.924 1.00 0.00 C ATOM 439 O SER A 27 11.853 6.479 -9.601 1.00 0.00 O ATOM 440 CB SER A 27 8.925 7.821 -9.675 1.00 0.00 C ATOM 441 OG SER A 27 7.618 7.875 -10.241 1.00 0.00 O ATOM 0 H SER A 27 7.710 6.012 -8.490 1.00 0.00 H new ATOM 0 HA SER A 27 9.542 5.999 -10.602 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.907 8.262 -8.678 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.606 8.423 -10.277 1.00 0.00 H new ATOM 0 HG SER A 27 7.316 8.806 -10.278 1.00 0.00 H new ATOM 447 N GLN A 28 10.816 6.233 -7.606 1.00 0.00 N ATOM 448 CA GLN A 28 12.053 6.180 -6.845 1.00 0.00 C ATOM 449 C GLN A 28 12.804 4.881 -7.143 1.00 0.00 C ATOM 450 O GLN A 28 13.942 4.911 -7.610 1.00 0.00 O ATOM 451 CB GLN A 28 11.781 6.324 -5.346 1.00 0.00 C ATOM 452 CG GLN A 28 12.740 7.331 -4.709 1.00 0.00 C ATOM 453 CD GLN A 28 12.396 7.561 -3.236 1.00 0.00 C ATOM 454 OE1 GLN A 28 11.242 7.618 -2.843 1.00 0.00 O ATOM 455 NE2 GLN A 28 13.458 7.687 -2.445 1.00 0.00 N ATOM 0 H GLN A 28 9.967 6.156 -7.046 1.00 0.00 H new ATOM 0 HA GLN A 28 12.680 7.018 -7.149 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.752 6.647 -5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.889 5.355 -4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.764 6.967 -4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.691 8.276 -5.249 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.397 7.629 -2.839 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.333 7.841 -1.445 1.00 0.00 H new ATOM 464 N ALA A 29 12.138 3.771 -6.861 1.00 0.00 N ATOM 465 CA ALA A 29 12.728 2.464 -7.096 1.00 0.00 C ATOM 466 C ALA A 29 13.283 2.408 -8.520 1.00 0.00 C ATOM 467 O ALA A 29 14.377 1.892 -8.744 1.00 0.00 O ATOM 468 CB ALA A 29 11.682 1.378 -6.835 1.00 0.00 C ATOM 0 H ALA A 29 11.195 3.750 -6.472 1.00 0.00 H new ATOM 0 HA ALA A 29 13.558 2.289 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.124 0.397 -7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.341 1.442 -5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.835 1.520 -7.506 1.00 0.00 H new ATOM 474 N SER A 30 12.504 2.947 -9.447 1.00 0.00 N ATOM 475 CA SER A 30 12.837 2.842 -10.857 1.00 0.00 C ATOM 476 C SER A 30 14.126 3.612 -11.150 1.00 0.00 C ATOM 477 O SER A 30 14.966 3.152 -11.922 1.00 0.00 O ATOM 478 CB SER A 30 11.696 3.366 -11.732 1.00 0.00 C ATOM 479 OG SER A 30 10.861 2.313 -12.207 1.00 0.00 O ATOM 0 H SER A 30 11.644 3.458 -9.249 1.00 0.00 H new ATOM 0 HA SER A 30 12.989 1.789 -11.095 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.096 4.074 -11.160 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.110 3.911 -12.580 1.00 0.00 H new ATOM 0 HG SER A 30 10.144 2.688 -12.760 1.00 0.00 H new ATOM 485 N ALA A 31 14.243 4.770 -10.517 1.00 0.00 N ATOM 486 CA ALA A 31 15.428 5.595 -10.679 1.00 0.00 C ATOM 487 C ALA A 31 16.656 4.816 -10.205 1.00 0.00 C ATOM 488 O ALA A 31 17.733 4.933 -10.788 1.00 0.00 O ATOM 489 CB ALA A 31 15.243 6.910 -9.918 1.00 0.00 C ATOM 0 H ALA A 31 13.537 5.156 -9.891 1.00 0.00 H new ATOM 0 HA ALA A 31 15.581 5.844 -11.729 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.132 7.529 -10.040 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.376 7.440 -10.312 1.00 0.00 H new ATOM 0 HB3 ALA A 31 15.089 6.699 -8.860 1.00 0.00 H new ATOM 495 N LEU A 32 16.453 4.037 -9.153 1.00 0.00 N ATOM 496 CA LEU A 32 17.539 3.265 -8.573 1.00 0.00 C ATOM 497 C LEU A 32 17.852 2.072 -9.480 1.00 0.00 C ATOM 498 O LEU A 32 18.923 1.476 -9.379 1.00 0.00 O ATOM 499 CB LEU A 32 17.207 2.871 -7.132 1.00 0.00 C ATOM 500 CG LEU A 32 17.018 4.028 -6.148 1.00 0.00 C ATOM 501 CD1 LEU A 32 16.393 3.538 -4.841 1.00 0.00 C ATOM 502 CD2 LEU A 32 18.336 4.767 -5.911 1.00 0.00 C ATOM 0 H LEU A 32 15.553 3.924 -8.687 1.00 0.00 H new ATOM 0 HA LEU A 32 18.445 3.868 -8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.295 2.274 -7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.005 2.229 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 32 16.323 4.743 -6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.269 4.379 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.420 3.092 -5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.044 2.793 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.174 5.584 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 32 19.072 4.076 -5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.703 5.168 -6.856 1.00 0.00 H new ATOM 514 N GLY A 33 16.898 1.761 -10.344 1.00 0.00 N ATOM 515 CA GLY A 33 17.148 0.830 -11.432 1.00 0.00 C ATOM 516 C GLY A 33 16.310 -0.440 -11.270 1.00 0.00 C ATOM 517 O GLY A 33 16.524 -1.423 -11.976 1.00 0.00 O ATOM 0 H GLY A 33 15.950 2.137 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.913 1.306 -12.384 1.00 0.00 H new ATOM 0 HA3 GLY A 33 18.206 0.571 -11.458 1.00 0.00 H new ATOM 521 N TRP A 34 15.373 -0.377 -10.335 1.00 0.00 N ATOM 522 CA TRP A 34 14.415 -1.455 -10.162 1.00 0.00 C ATOM 523 C TRP A 34 13.626 -1.600 -11.465 1.00 0.00 C ATOM 524 O TRP A 34 13.317 -0.607 -12.121 1.00 0.00 O ATOM 525 CB TRP A 34 13.521 -1.205 -8.946 1.00 0.00 C ATOM 526 CG TRP A 34 12.235 -2.034 -8.938 1.00 0.00 C ATOM 527 CD1 TRP A 34 12.106 -3.354 -8.742 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.893 -1.543 -9.143 1.00 0.00 C ATOM 529 NE1 TRP A 34 10.784 -3.747 -8.806 1.00 0.00 N ATOM 530 CE2 TRP A 34 10.024 -2.611 -9.057 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.430 -0.239 -9.392 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.638 -2.485 -9.208 1.00 0.00 C ATOM 533 CZ3 TRP A 34 9.042 -0.130 -9.541 1.00 0.00 C ATOM 534 CH2 TRP A 34 8.153 -1.196 -9.458 1.00 0.00 C ATOM 0 H TRP A 34 15.257 0.404 -9.689 1.00 0.00 H new ATOM 0 HA TRP A 34 14.926 -2.396 -9.958 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.087 -1.423 -8.041 1.00 0.00 H new ATOM 0 HB3 TRP A 34 13.260 -0.147 -8.911 1.00 0.00 H new ATOM 0 HD1 TRP A 34 12.932 -4.025 -8.557 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.430 -4.697 -8.690 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.092 0.611 -9.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.978 -3.337 -9.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.633 0.851 -9.734 1.00 0.00 H new ATOM 0 HH2 TRP A 34 7.093 -1.030 -9.586 1.00 0.00 H new ATOM 545 N VAL A 35 13.322 -2.845 -11.800 1.00 0.00 N ATOM 546 CA VAL A 35 12.411 -3.124 -12.898 1.00 0.00 C ATOM 547 C VAL A 35 11.323 -4.087 -12.420 1.00 0.00 C ATOM 548 O VAL A 35 11.598 -5.010 -11.655 1.00 0.00 O ATOM 549 CB VAL A 35 13.191 -3.654 -14.103 1.00 0.00 C ATOM 550 CG1 VAL A 35 12.277 -3.813 -15.320 1.00 0.00 C ATOM 551 CG2 VAL A 35 14.382 -2.750 -14.426 1.00 0.00 C ATOM 0 H VAL A 35 13.690 -3.672 -11.331 1.00 0.00 H new ATOM 0 HA VAL A 35 11.915 -2.210 -13.225 1.00 0.00 H new ATOM 0 HB VAL A 35 13.579 -4.639 -13.844 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.856 -4.191 -16.163 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.477 -4.515 -15.085 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.846 -2.846 -15.580 1.00 0.00 H new ATOM 0 HG21 VAL A 35 14.919 -3.149 -15.286 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.025 -1.746 -14.655 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.052 -2.710 -13.567 1.00 0.00 H new ATOM 561 N ALA A 36 10.109 -3.838 -12.890 1.00 0.00 N ATOM 562 CA ALA A 36 8.952 -4.563 -12.395 1.00 0.00 C ATOM 563 C ALA A 36 8.777 -5.850 -13.204 1.00 0.00 C ATOM 564 O ALA A 36 7.696 -6.116 -13.729 1.00 0.00 O ATOM 565 CB ALA A 36 7.718 -3.661 -12.460 1.00 0.00 C ATOM 0 H ALA A 36 9.902 -3.144 -13.608 1.00 0.00 H new ATOM 0 HA ALA A 36 9.094 -4.846 -11.352 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.850 -4.205 -12.089 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.882 -2.776 -11.846 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.542 -3.359 -13.492 1.00 0.00 H new ATOM 571 N SER A 37 9.856 -6.615 -13.280 1.00 0.00 N ATOM 572 CA SER A 37 9.877 -7.798 -14.124 1.00 0.00 C ATOM 573 C SER A 37 11.232 -8.500 -14.007 1.00 0.00 C ATOM 574 O SER A 37 11.296 -9.677 -13.655 1.00 0.00 O ATOM 575 CB SER A 37 9.590 -7.439 -15.583 1.00 0.00 C ATOM 576 OG SER A 37 8.205 -7.556 -15.899 1.00 0.00 O ATOM 0 H SER A 37 10.722 -6.439 -12.771 1.00 0.00 H new ATOM 0 HA SER A 37 9.093 -8.475 -13.784 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.921 -6.419 -15.777 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.168 -8.092 -16.237 1.00 0.00 H new ATOM 0 HG SER A 37 7.672 -7.127 -15.197 1.00 0.00 H new ATOM 582 N LYS A 38 12.280 -7.748 -14.308 1.00 0.00 N ATOM 583 CA LYS A 38 13.592 -8.339 -14.511 1.00 0.00 C ATOM 584 C LYS A 38 14.236 -8.621 -13.153 1.00 0.00 C ATOM 585 O LYS A 38 14.646 -9.747 -12.878 1.00 0.00 O ATOM 586 CB LYS A 38 14.443 -7.454 -15.424 1.00 0.00 C ATOM 587 CG LYS A 38 15.735 -8.166 -15.829 1.00 0.00 C ATOM 588 CD LYS A 38 15.754 -8.457 -17.330 1.00 0.00 C ATOM 589 CE LYS A 38 14.767 -9.570 -17.686 1.00 0.00 C ATOM 590 NZ LYS A 38 14.881 -9.927 -19.118 1.00 0.00 N ATOM 0 H LYS A 38 12.248 -6.734 -14.416 1.00 0.00 H new ATOM 0 HA LYS A 38 13.503 -9.296 -15.026 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.874 -7.191 -16.316 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.682 -6.522 -14.913 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.593 -7.548 -15.564 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.830 -9.099 -15.273 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.502 -7.552 -17.883 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.760 -8.747 -17.635 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.962 -10.448 -17.070 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.750 -9.246 -17.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.204 -10.684 -19.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.672 -9.092 -19.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.847 -10.256 -19.318 1.00 0.00 H new ATOM 604 N GLY A 39 14.304 -7.578 -12.339 1.00 0.00 N ATOM 605 CA GLY A 39 14.989 -7.669 -11.061 1.00 0.00 C ATOM 606 C GLY A 39 14.034 -7.369 -9.904 1.00 0.00 C ATOM 607 O GLY A 39 13.244 -6.429 -9.974 1.00 0.00 O ATOM 0 H GLY A 39 13.896 -6.665 -12.540 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.410 -8.667 -10.940 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.823 -6.967 -11.040 1.00 0.00 H new ATOM 611 N ASN A 40 14.138 -8.186 -8.865 1.00 0.00 N ATOM 612 CA ASN A 40 13.308 -8.007 -7.687 1.00 0.00 C ATOM 613 C ASN A 40 13.762 -6.756 -6.933 1.00 0.00 C ATOM 614 O ASN A 40 14.844 -6.230 -7.190 1.00 0.00 O ATOM 615 CB ASN A 40 13.432 -9.201 -6.739 1.00 0.00 C ATOM 616 CG ASN A 40 14.863 -9.339 -6.215 1.00 0.00 C ATOM 617 OD1 ASN A 40 15.772 -9.752 -6.917 1.00 0.00 O ATOM 618 ND2 ASN A 40 15.012 -8.971 -4.946 1.00 0.00 N ATOM 0 H ASN A 40 14.785 -8.973 -8.816 1.00 0.00 H new ATOM 0 HA ASN A 40 12.273 -7.913 -8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.745 -9.078 -5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.142 -10.114 -7.259 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.929 -9.025 -4.504 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.209 -8.634 -4.415 1.00 0.00 H new ATOM 625 N LEU A 41 12.913 -6.314 -6.017 1.00 0.00 N ATOM 626 CA LEU A 41 13.044 -4.981 -5.455 1.00 0.00 C ATOM 627 C LEU A 41 14.293 -4.924 -4.573 1.00 0.00 C ATOM 628 O LEU A 41 15.201 -4.134 -4.826 1.00 0.00 O ATOM 629 CB LEU A 41 11.759 -4.576 -4.729 1.00 0.00 C ATOM 630 CG LEU A 41 11.599 -3.084 -4.431 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.532 -2.270 -5.724 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.387 -2.832 -3.531 1.00 0.00 C ATOM 0 H LEU A 41 12.131 -6.856 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 41 13.180 -4.245 -6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.909 -4.900 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.710 -5.122 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 41 12.481 -2.748 -3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.418 -1.213 -5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.450 -2.416 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.680 -2.600 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.296 -1.764 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.485 -3.188 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.516 -3.365 -2.589 1.00 0.00 H new ATOM 644 N ALA A 42 14.298 -5.772 -3.555 1.00 0.00 N ATOM 645 CA ALA A 42 15.261 -5.639 -2.475 1.00 0.00 C ATOM 646 C ALA A 42 16.676 -5.630 -3.057 1.00 0.00 C ATOM 647 O ALA A 42 17.591 -5.060 -2.465 1.00 0.00 O ATOM 648 CB ALA A 42 15.054 -6.769 -1.464 1.00 0.00 C ATOM 0 H ALA A 42 13.650 -6.554 -3.455 1.00 0.00 H new ATOM 0 HA ALA A 42 15.116 -4.697 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 42 15.776 -6.669 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.044 -6.714 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.194 -7.730 -1.959 1.00 0.00 H new ATOM 654 N GLU A 43 16.811 -6.268 -4.211 1.00 0.00 N ATOM 655 CA GLU A 43 18.107 -6.376 -4.859 1.00 0.00 C ATOM 656 C GLU A 43 18.671 -4.984 -5.152 1.00 0.00 C ATOM 657 O GLU A 43 19.835 -4.709 -4.864 1.00 0.00 O ATOM 658 CB GLU A 43 18.012 -7.210 -6.138 1.00 0.00 C ATOM 659 CG GLU A 43 19.398 -7.448 -6.741 1.00 0.00 C ATOM 660 CD GLU A 43 19.700 -6.427 -7.840 1.00 0.00 C ATOM 661 OE1 GLU A 43 19.089 -6.560 -8.922 1.00 0.00 O ATOM 662 OE2 GLU A 43 20.536 -5.537 -7.573 1.00 0.00 O ATOM 0 H GLU A 43 16.044 -6.715 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 43 18.790 -6.888 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.538 -8.167 -5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.379 -6.699 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.155 -7.381 -5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.452 -8.456 -7.152 1.00 0.00 H new ATOM 669 N VAL A 44 17.820 -4.143 -5.721 1.00 0.00 N ATOM 670 CA VAL A 44 18.262 -2.849 -6.213 1.00 0.00 C ATOM 671 C VAL A 44 18.070 -1.799 -5.117 1.00 0.00 C ATOM 672 O VAL A 44 18.947 -0.968 -4.888 1.00 0.00 O ATOM 673 CB VAL A 44 17.527 -2.503 -7.509 1.00 0.00 C ATOM 674 CG1 VAL A 44 17.941 -1.122 -8.022 1.00 0.00 C ATOM 675 CG2 VAL A 44 17.758 -3.576 -8.574 1.00 0.00 C ATOM 0 H VAL A 44 16.826 -4.332 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 44 19.324 -2.875 -6.455 1.00 0.00 H new ATOM 0 HB VAL A 44 16.459 -2.473 -7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.404 -0.900 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.701 -0.368 -7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 44 19.014 -1.112 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 44 17.224 -3.305 -9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 44 18.824 -3.653 -8.787 1.00 0.00 H new ATOM 0 HG23 VAL A 44 17.390 -4.535 -8.210 1.00 0.00 H new ATOM 685 N ALA A 45 16.916 -1.871 -4.469 1.00 0.00 N ATOM 686 CA ALA A 45 16.567 -0.892 -3.453 1.00 0.00 C ATOM 687 C ALA A 45 16.106 -1.619 -2.188 1.00 0.00 C ATOM 688 O ALA A 45 14.913 -1.848 -1.999 1.00 0.00 O ATOM 689 CB ALA A 45 15.498 0.054 -4.003 1.00 0.00 C ATOM 0 H ALA A 45 16.211 -2.591 -4.628 1.00 0.00 H new ATOM 0 HA ALA A 45 17.434 -0.287 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.236 0.789 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.884 0.567 -4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.611 -0.518 -4.276 1.00 0.00 H new ATOM 695 N PRO A 46 17.103 -1.972 -1.333 1.00 0.00 N ATOM 696 CA PRO A 46 16.820 -2.720 -0.120 1.00 0.00 C ATOM 697 C PRO A 46 16.179 -1.823 0.941 1.00 0.00 C ATOM 698 O PRO A 46 16.362 -0.607 0.923 1.00 0.00 O ATOM 699 CB PRO A 46 18.160 -3.289 0.314 1.00 0.00 C ATOM 700 CG PRO A 46 19.216 -2.462 -0.402 1.00 0.00 C ATOM 701 CD PRO A 46 18.522 -1.668 -1.497 1.00 0.00 C ATOM 0 HA PRO A 46 16.096 -3.519 -0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.280 -3.224 1.395 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.242 -4.343 0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.715 -1.792 0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 46 19.984 -3.108 -0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.713 -0.600 -1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.878 -1.961 -2.485 1.00 0.00 H new ATOM 709 N GLY A 47 15.442 -2.458 1.840 1.00 0.00 N ATOM 710 CA GLY A 47 15.116 -1.838 3.113 1.00 0.00 C ATOM 711 C GLY A 47 13.758 -1.136 3.049 1.00 0.00 C ATOM 712 O GLY A 47 13.266 -0.634 4.058 1.00 0.00 O ATOM 0 H GLY A 47 15.061 -3.396 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.101 -2.595 3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.890 -1.118 3.380 1.00 0.00 H new ATOM 716 N LYS A 48 13.191 -1.123 1.851 1.00 0.00 N ATOM 717 CA LYS A 48 11.953 -0.399 1.618 1.00 0.00 C ATOM 718 C LYS A 48 11.022 -1.254 0.756 1.00 0.00 C ATOM 719 O LYS A 48 11.447 -2.256 0.183 1.00 0.00 O ATOM 720 CB LYS A 48 12.243 0.982 1.026 1.00 0.00 C ATOM 721 CG LYS A 48 12.835 1.918 2.082 1.00 0.00 C ATOM 722 CD LYS A 48 14.344 2.077 1.890 1.00 0.00 C ATOM 723 CE LYS A 48 14.952 2.933 3.003 1.00 0.00 C ATOM 724 NZ LYS A 48 16.413 3.069 2.813 1.00 0.00 N ATOM 0 H LYS A 48 13.566 -1.602 1.032 1.00 0.00 H new ATOM 0 HA LYS A 48 11.437 -0.215 2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.937 0.885 0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.323 1.412 0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.352 2.893 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.631 1.524 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.818 1.096 1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.544 2.537 0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.487 3.919 3.007 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.746 2.479 3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.810 3.653 3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.855 2.128 2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.603 3.522 1.897 1.00 0.00 H new ATOM 738 N SER A 49 9.769 -0.827 0.691 1.00 0.00 N ATOM 739 CA SER A 49 8.838 -1.384 -0.275 1.00 0.00 C ATOM 740 C SER A 49 8.333 -0.283 -1.211 1.00 0.00 C ATOM 741 O SER A 49 8.811 0.849 -1.158 1.00 0.00 O ATOM 742 CB SER A 49 7.661 -2.067 0.425 1.00 0.00 C ATOM 743 OG SER A 49 8.030 -2.597 1.695 1.00 0.00 O ATOM 0 H SER A 49 9.377 -0.102 1.292 1.00 0.00 H new ATOM 0 HA SER A 49 9.364 -2.137 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.850 -1.350 0.553 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.280 -2.870 -0.206 1.00 0.00 H new ATOM 0 HG SER A 49 7.251 -3.023 2.110 1.00 0.00 H new ATOM 749 N ILE A 50 7.373 -0.654 -2.045 1.00 0.00 N ATOM 750 CA ILE A 50 6.605 0.331 -2.788 1.00 0.00 C ATOM 751 C ILE A 50 5.417 0.790 -1.940 1.00 0.00 C ATOM 752 O ILE A 50 4.832 -0.002 -1.203 1.00 0.00 O ATOM 753 CB ILE A 50 6.205 -0.223 -4.157 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.424 -0.766 -4.905 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.452 0.828 -4.975 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.506 0.307 -5.045 1.00 0.00 C ATOM 0 H ILE A 50 7.109 -1.623 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 50 7.212 1.213 -2.992 1.00 0.00 H new ATOM 0 HB ILE A 50 5.523 -1.059 -4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.828 -1.627 -4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.123 -1.115 -5.893 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.179 0.409 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.549 1.126 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.090 1.699 -5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.361 -0.106 -5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.107 1.156 -5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.822 0.636 -4.055 1.00 0.00 H new ATOM 768 N GLY A 51 5.096 2.069 -2.072 1.00 0.00 N ATOM 769 CA GLY A 51 3.839 2.583 -1.554 1.00 0.00 C ATOM 770 C GLY A 51 3.652 4.054 -1.930 1.00 0.00 C ATOM 771 O GLY A 51 4.601 4.719 -2.340 1.00 0.00 O ATOM 0 H GLY A 51 5.685 2.765 -2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.011 1.995 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.817 2.475 -0.470 1.00 0.00 H new ATOM 775 N GLY A 52 2.420 4.518 -1.777 1.00 0.00 N ATOM 776 CA GLY A 52 2.072 5.866 -2.194 1.00 0.00 C ATOM 777 C GLY A 52 1.675 5.897 -3.672 1.00 0.00 C ATOM 778 O GLY A 52 1.583 6.967 -4.271 1.00 0.00 O ATOM 0 H GLY A 52 1.651 3.985 -1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.248 6.238 -1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.918 6.532 -2.027 1.00 0.00 H new ATOM 782 N ASP A 53 1.450 4.711 -4.216 1.00 0.00 N ATOM 783 CA ASP A 53 0.875 4.594 -5.545 1.00 0.00 C ATOM 784 C ASP A 53 -0.643 4.764 -5.456 1.00 0.00 C ATOM 785 O ASP A 53 -1.254 4.400 -4.453 1.00 0.00 O ATOM 786 CB ASP A 53 1.161 3.219 -6.151 1.00 0.00 C ATOM 787 CG ASP A 53 2.643 2.845 -6.236 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.469 3.777 -6.136 1.00 0.00 O ATOM 789 OD2 ASP A 53 2.915 1.636 -6.399 1.00 0.00 O ATOM 0 H ASP A 53 1.656 3.822 -3.761 1.00 0.00 H new ATOM 0 HA ASP A 53 1.321 5.365 -6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.644 2.463 -5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.735 3.185 -7.154 1.00 0.00 H new ATOM 794 N VAL A 54 -1.208 5.318 -6.519 1.00 0.00 N ATOM 795 CA VAL A 54 -2.646 5.518 -6.584 1.00 0.00 C ATOM 796 C VAL A 54 -3.322 4.205 -6.981 1.00 0.00 C ATOM 797 O VAL A 54 -2.815 3.473 -7.830 1.00 0.00 O ATOM 798 CB VAL A 54 -2.971 6.670 -7.536 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.484 6.838 -7.697 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.323 7.973 -7.063 1.00 0.00 C ATOM 0 H VAL A 54 -0.696 5.635 -7.342 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.037 5.802 -5.607 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.554 6.424 -8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.688 7.664 -8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.911 5.920 -8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.932 7.050 -6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.570 8.775 -7.758 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.696 8.225 -6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.241 7.848 -7.023 1.00 0.00 H new ATOM 810 N PHE A 55 -4.457 3.945 -6.348 1.00 0.00 N ATOM 811 CA PHE A 55 -5.093 2.643 -6.455 1.00 0.00 C ATOM 812 C PHE A 55 -6.090 2.614 -7.615 1.00 0.00 C ATOM 813 O PHE A 55 -6.350 1.557 -8.188 1.00 0.00 O ATOM 814 CB PHE A 55 -5.845 2.404 -5.144 1.00 0.00 C ATOM 815 CG PHE A 55 -6.743 1.165 -5.160 1.00 0.00 C ATOM 816 CD1 PHE A 55 -6.196 -0.073 -5.031 1.00 0.00 C ATOM 817 CD2 PHE A 55 -8.089 1.303 -5.302 1.00 0.00 C ATOM 818 CE1 PHE A 55 -7.030 -1.222 -5.045 1.00 0.00 C ATOM 819 CE2 PHE A 55 -8.922 0.154 -5.316 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.375 -1.085 -5.187 1.00 0.00 C ATOM 0 H PHE A 55 -4.952 4.614 -5.759 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.342 1.875 -6.638 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.122 2.306 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.455 3.280 -4.922 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.128 -0.182 -4.918 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.523 2.286 -5.404 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.596 -2.205 -4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.990 0.263 -5.429 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.009 -1.959 -5.197 1.00 0.00 H new ATOM 925 N LEU A 62 -14.008 -1.750 -3.836 1.00 0.00 N ATOM 926 CA LEU A 62 -14.246 -0.759 -2.801 1.00 0.00 C ATOM 927 C LEU A 62 -15.197 0.313 -3.337 1.00 0.00 C ATOM 928 O LEU A 62 -15.278 0.528 -4.545 1.00 0.00 O ATOM 929 CB LEU A 62 -12.920 -0.200 -2.280 1.00 0.00 C ATOM 930 CG LEU A 62 -11.880 -1.234 -1.847 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.461 -0.734 -2.124 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.074 -1.627 -0.381 1.00 0.00 C ATOM 0 HA LEU A 62 -14.733 -1.216 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.481 0.424 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.131 0.451 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.026 -2.135 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.741 -1.488 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.343 -0.546 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.286 0.189 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.321 -2.363 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.971 -0.744 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.068 -2.054 -0.247 1.00 0.00 H new ATOM 944 N PRO A 63 -15.912 0.974 -2.387 1.00 0.00 N ATOM 945 CA PRO A 63 -16.909 1.964 -2.755 1.00 0.00 C ATOM 946 C PRO A 63 -16.247 3.266 -3.212 1.00 0.00 C ATOM 947 O PRO A 63 -15.091 3.527 -2.882 1.00 0.00 O ATOM 948 CB PRO A 63 -17.767 2.139 -1.513 1.00 0.00 C ATOM 949 CG PRO A 63 -16.944 1.593 -0.357 1.00 0.00 C ATOM 950 CD PRO A 63 -15.790 0.796 -0.943 1.00 0.00 C ATOM 0 HA PRO A 63 -17.518 1.652 -3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -18.015 3.189 -1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.709 1.600 -1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.570 2.407 0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.558 0.961 0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.830 1.162 -0.579 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.855 -0.256 -0.667 1.00 0.00 H new ATOM 997 N ARG A 68 -14.653 9.663 -3.752 1.00 0.00 N ATOM 998 CA ARG A 68 -13.647 9.207 -2.808 1.00 0.00 C ATOM 999 C ARG A 68 -12.421 8.675 -3.553 1.00 0.00 C ATOM 1000 O ARG A 68 -12.547 7.827 -4.435 1.00 0.00 O ATOM 1001 CB ARG A 68 -14.201 8.107 -1.900 1.00 0.00 C ATOM 1002 CG ARG A 68 -13.268 7.853 -0.714 1.00 0.00 C ATOM 1003 CD ARG A 68 -13.509 8.874 0.401 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.758 8.548 1.124 1.00 0.00 N ATOM 1005 CZ ARG A 68 -15.292 9.314 2.085 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -14.697 10.463 2.433 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -16.420 8.932 2.698 1.00 0.00 N ATOM 0 HA ARG A 68 -13.360 10.060 -2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.188 8.394 -1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.327 7.188 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.428 6.845 -0.330 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.231 7.908 -1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.667 8.874 1.094 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.574 9.877 -0.021 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.243 7.686 0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.838 10.754 1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.103 11.046 3.164 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.873 8.057 2.433 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.826 9.516 3.429 1.00 0.00 H new ATOM 1021 N THR A 69 -11.264 9.194 -3.171 1.00 0.00 N ATOM 1022 CA THR A 69 -10.014 8.762 -3.775 1.00 0.00 C ATOM 1023 C THR A 69 -9.365 7.665 -2.929 1.00 0.00 C ATOM 1024 O THR A 69 -9.625 7.564 -1.731 1.00 0.00 O ATOM 1025 CB THR A 69 -9.126 9.995 -3.956 1.00 0.00 C ATOM 1026 OG1 THR A 69 -10.027 11.011 -4.387 1.00 0.00 O ATOM 1027 CG2 THR A 69 -8.148 9.845 -5.123 1.00 0.00 C ATOM 0 H THR A 69 -11.165 9.910 -2.451 1.00 0.00 H new ATOM 0 HA THR A 69 -10.181 8.317 -4.756 1.00 0.00 H new ATOM 0 HB THR A 69 -8.570 10.180 -3.037 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.535 11.847 -4.527 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.542 10.747 -5.208 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.499 8.987 -4.946 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.705 9.694 -6.048 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.534 6.870 -3.586 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.963 5.695 -2.951 1.00 0.00 C ATOM 1037 C TRP A 70 -6.468 5.660 -3.276 1.00 0.00 C ATOM 1038 O TRP A 70 -6.061 6.020 -4.379 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.698 4.425 -3.384 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.151 4.355 -2.911 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.226 4.938 -3.460 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.649 3.635 -1.764 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.375 4.648 -2.753 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -12.013 3.830 -1.689 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.969 2.845 -0.821 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.814 3.268 -0.687 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.783 2.290 0.174 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -12.157 2.477 0.263 1.00 0.00 C ATOM 0 H TRP A 70 -8.242 7.017 -4.552 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.083 5.746 -1.869 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.677 4.359 -4.472 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.160 3.558 -3.001 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.197 5.557 -4.345 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.317 4.974 -2.971 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.903 2.679 -0.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.880 3.436 -0.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.310 1.674 0.924 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.716 2.014 1.062 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.691 5.225 -2.295 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.274 4.988 -2.511 1.00 0.00 C ATOM 1061 C ARG A 71 -3.835 3.706 -1.801 1.00 0.00 C ATOM 1062 O ARG A 71 -4.422 3.320 -0.791 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.436 6.160 -1.997 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.760 7.444 -2.763 1.00 0.00 C ATOM 1065 CD ARG A 71 -2.945 8.623 -2.227 1.00 0.00 C ATOM 1066 NE ARG A 71 -1.542 8.519 -2.684 1.00 0.00 N ATOM 1067 CZ ARG A 71 -0.583 9.402 -2.373 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -0.853 10.422 -1.548 1.00 0.00 N ATOM 1069 NH2 ARG A 71 0.647 9.264 -2.888 1.00 0.00 N ATOM 0 H ARG A 71 -6.016 5.030 -1.348 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.115 4.885 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.626 6.309 -0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.376 5.927 -2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.548 7.303 -3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.824 7.664 -2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.379 9.562 -2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.981 8.635 -1.138 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.289 7.726 -3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.789 10.527 -1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.123 11.094 -1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.853 8.487 -3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.377 9.936 -2.652 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.808 3.082 -2.357 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.412 1.754 -1.918 1.00 0.00 C ATOM 1085 C GLU A 72 -0.943 1.752 -1.489 1.00 0.00 C ATOM 1086 O GLU A 72 -0.195 2.670 -1.823 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.665 0.716 -3.013 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.880 1.057 -4.282 1.00 0.00 C ATOM 1089 CD GLU A 72 -1.906 -0.110 -5.272 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -1.245 -1.127 -4.968 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -2.585 0.041 -6.310 1.00 0.00 O ATOM 0 H GLU A 72 -2.237 3.471 -3.108 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.022 1.481 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.375 -0.272 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.730 0.674 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.305 1.945 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.849 1.296 -4.023 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.575 0.712 -0.757 1.00 0.00 N ATOM 1099 CA ALA A 73 0.808 0.538 -0.346 1.00 0.00 C ATOM 1100 C ALA A 73 1.061 -0.939 -0.036 1.00 0.00 C ATOM 1101 O ALA A 73 0.129 -1.684 0.262 1.00 0.00 O ATOM 1102 CB ALA A 73 1.102 1.443 0.851 1.00 0.00 C ATOM 0 H ALA A 73 -1.210 -0.019 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 73 1.486 0.828 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.139 1.313 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.935 2.483 0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.442 1.179 1.677 1.00 0.00 H new ATOM 1108 N ASP A 74 2.328 -1.319 -0.118 1.00 0.00 N ATOM 1109 CA ASP A 74 2.705 -2.711 0.060 1.00 0.00 C ATOM 1110 C ASP A 74 2.739 -3.038 1.555 1.00 0.00 C ATOM 1111 O ASP A 74 3.020 -2.169 2.378 1.00 0.00 O ATOM 1112 CB ASP A 74 4.096 -2.983 -0.515 1.00 0.00 C ATOM 1113 CG ASP A 74 4.201 -2.864 -2.037 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.160 -2.553 -2.655 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.320 -3.086 -2.548 1.00 0.00 O ATOM 0 H ASP A 74 3.106 -0.687 -0.305 1.00 0.00 H new ATOM 0 HA ASP A 74 1.973 -3.328 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.802 -2.288 -0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.404 -3.987 -0.222 1.00 0.00 H new ATOM 1120 N ILE A 75 2.450 -4.295 1.859 1.00 0.00 N ATOM 1121 CA ILE A 75 2.624 -4.796 3.212 1.00 0.00 C ATOM 1122 C ILE A 75 3.591 -5.982 3.191 1.00 0.00 C ATOM 1123 O ILE A 75 3.407 -6.924 2.422 1.00 0.00 O ATOM 1124 CB ILE A 75 1.268 -5.120 3.842 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.323 -3.919 3.757 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.436 -5.616 5.279 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.715 -2.841 4.769 1.00 0.00 C ATOM 0 H ILE A 75 2.097 -4.981 1.192 1.00 0.00 H new ATOM 0 HA ILE A 75 3.070 -4.031 3.847 1.00 0.00 H new ATOM 0 HB ILE A 75 0.812 -5.930 3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.347 -3.503 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.701 -4.243 3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.457 -5.839 5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.048 -6.518 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.923 -4.845 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.028 -1.999 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.666 -3.253 5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.730 -2.502 4.564 1.00 0.00 H new ATOM 1139 N ASN A 76 4.600 -5.896 4.046 1.00 0.00 N ATOM 1140 CA ASN A 76 5.589 -6.956 4.145 1.00 0.00 C ATOM 1141 C ASN A 76 6.311 -7.102 2.804 1.00 0.00 C ATOM 1142 O ASN A 76 5.678 -7.344 1.777 1.00 0.00 O ATOM 1143 CB ASN A 76 4.928 -8.296 4.474 1.00 0.00 C ATOM 1144 CG ASN A 76 4.782 -8.479 5.986 1.00 0.00 C ATOM 1145 OD1 ASN A 76 4.121 -7.494 6.589 1.00 0.00 O flip ATOM 1146 ND2 ASN A 76 5.239 -9.449 6.567 1.00 0.00 N flip ATOM 0 H ASN A 76 4.754 -5.109 4.676 1.00 0.00 H new ATOM 0 HA ASN A 76 6.287 -6.693 4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.947 -8.347 4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.524 -9.110 4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.736 -10.170 6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.124 -9.540 7.576 1.00 0.00 H new ATOM 1266 N ALA A 84 1.633 -9.800 -3.320 1.00 0.00 N ATOM 1267 CA ALA A 84 0.226 -9.583 -3.611 1.00 0.00 C ATOM 1268 C ALA A 84 -0.489 -9.123 -2.339 1.00 0.00 C ATOM 1269 O ALA A 84 -1.715 -9.168 -2.261 1.00 0.00 O ATOM 1270 CB ALA A 84 -0.380 -10.863 -4.190 1.00 0.00 C ATOM 0 HA ALA A 84 0.106 -8.799 -4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.435 -10.700 -4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.143 -11.130 -5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.280 -11.672 -3.467 1.00 0.00 H new ATOM 1276 N ASP A 85 0.309 -8.691 -1.374 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.204 -8.429 -0.040 1.00 0.00 C ATOM 1278 C ASP A 85 -0.089 -6.933 0.262 1.00 0.00 C ATOM 1279 O ASP A 85 1.005 -6.429 0.509 1.00 0.00 O ATOM 1280 CB ASP A 85 0.599 -9.188 1.018 1.00 0.00 C ATOM 1281 CG ASP A 85 0.467 -10.711 0.961 1.00 0.00 C ATOM 1282 OD1 ASP A 85 1.016 -11.293 0.001 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.180 -11.259 1.880 1.00 0.00 O ATOM 0 H ASP A 85 1.307 -8.516 -1.489 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.243 -8.757 -0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.651 -8.925 0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.284 -8.848 2.005 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.234 -6.266 0.231 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.253 -4.818 0.120 1.00 0.00 C ATOM 1290 C ARG A 86 -2.354 -4.232 1.006 1.00 0.00 C ATOM 1291 O ARG A 86 -3.370 -4.880 1.250 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.485 -4.379 -1.327 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.384 -4.914 -2.246 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.329 -4.123 -3.554 1.00 0.00 C ATOM 1295 NE ARG A 86 0.711 -4.688 -4.443 1.00 0.00 N ATOM 1296 CZ ARG A 86 0.993 -4.214 -5.664 1.00 0.00 C ATOM 1297 NH1 ARG A 86 0.351 -3.133 -6.128 1.00 0.00 N ATOM 1298 NH2 ARG A 86 1.917 -4.821 -6.422 1.00 0.00 N ATOM 0 H ARG A 86 -2.155 -6.702 0.281 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.282 -4.448 0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.456 -4.739 -1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.512 -3.291 -1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.579 -4.853 -1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.565 -5.967 -2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.299 -4.155 -4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.112 -3.075 -3.346 1.00 0.00 H new ATOM 0 HE ARG A 86 1.246 -5.488 -4.105 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.352 -2.671 -5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.566 -2.772 -7.058 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.406 -5.644 -6.069 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.131 -4.460 -7.352 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.114 -3.011 1.464 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.149 -2.251 2.145 1.00 0.00 C ATOM 1314 C LEU A 87 -3.679 -1.165 1.207 1.00 0.00 C ATOM 1315 O LEU A 87 -2.908 -0.528 0.491 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.626 -1.711 3.478 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.676 -1.110 4.415 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -4.313 -2.192 5.290 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.079 0.024 5.250 1.00 0.00 C ATOM 0 H LEU A 87 -1.219 -2.530 1.377 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.992 -2.895 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.121 -2.522 4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.875 -0.949 3.269 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.471 -0.679 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.056 -1.739 5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.795 -2.936 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.542 -2.674 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.846 0.434 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.254 -0.361 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.711 0.808 4.588 1.00 0.00 H new ATOM 1331 N VAL A 88 -4.992 -0.988 1.241 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.633 0.017 0.410 1.00 0.00 C ATOM 1333 C VAL A 88 -6.552 0.879 1.278 1.00 0.00 C ATOM 1334 O VAL A 88 -7.468 0.365 1.919 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.366 -0.655 -0.752 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.883 0.385 -1.749 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.468 -1.681 -1.447 1.00 0.00 C ATOM 0 H VAL A 88 -5.629 -1.523 1.831 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.888 0.679 -0.032 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.227 -1.185 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.400 -0.119 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.573 1.061 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.044 0.955 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.013 -2.144 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.580 -1.183 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.170 -2.448 -0.732 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.275 2.174 1.272 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.949 3.088 2.179 1.00 0.00 C ATOM 1349 C TYR A 89 -7.502 4.300 1.426 1.00 0.00 C ATOM 1350 O TYR A 89 -6.952 4.702 0.402 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.884 3.561 3.170 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.679 4.237 2.513 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -4.700 5.594 2.264 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -3.571 3.490 2.169 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -3.566 6.231 1.646 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -2.437 4.126 1.550 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.490 5.465 1.319 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.419 6.066 0.735 1.00 0.00 O ATOM 0 H TYR A 89 -5.593 2.613 0.653 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.787 2.593 2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.340 4.258 3.873 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.537 2.706 3.750 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.567 6.179 2.533 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.554 2.428 2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.569 7.292 1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.564 3.552 1.275 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.357 6.994 1.043 1.00 0.00 H new ATOM 1368 N SER A 90 -8.582 4.848 1.962 1.00 0.00 N ATOM 1369 CA SER A 90 -9.293 5.919 1.285 1.00 0.00 C ATOM 1370 C SER A 90 -8.757 7.276 1.746 1.00 0.00 C ATOM 1371 O SER A 90 -7.892 7.342 2.618 1.00 0.00 O ATOM 1372 CB SER A 90 -10.799 5.829 1.542 1.00 0.00 C ATOM 1373 OG SER A 90 -11.140 6.230 2.866 1.00 0.00 O ATOM 0 H SER A 90 -8.982 4.570 2.858 1.00 0.00 H new ATOM 0 HA SER A 90 -9.127 5.815 0.213 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.327 6.458 0.825 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.135 4.805 1.376 1.00 0.00 H new ATOM 0 HG SER A 90 -11.752 6.995 2.829 1.00 0.00 H new ATOM 1379 N SER A 91 -9.291 8.325 1.138 1.00 0.00 N ATOM 1380 CA SER A 91 -8.897 9.677 1.495 1.00 0.00 C ATOM 1381 C SER A 91 -9.098 9.903 2.994 1.00 0.00 C ATOM 1382 O SER A 91 -8.206 10.407 3.675 1.00 0.00 O ATOM 1383 CB SER A 91 -9.688 10.711 0.691 1.00 0.00 C ATOM 1384 OG SER A 91 -9.362 10.673 -0.696 1.00 0.00 O ATOM 0 H SER A 91 -9.993 8.266 0.401 1.00 0.00 H new ATOM 0 HA SER A 91 -7.841 9.800 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.755 10.529 0.818 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.486 11.707 1.084 1.00 0.00 H new ATOM 0 HG SER A 91 -9.433 9.752 -1.024 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.276 9.520 3.465 1.00 0.00 N ATOM 1391 CA ASP A 92 -10.663 9.807 4.836 1.00 0.00 C ATOM 1392 C ASP A 92 -10.380 8.583 5.708 1.00 0.00 C ATOM 1393 O ASP A 92 -10.943 8.445 6.794 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.157 10.121 4.933 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.086 8.955 4.588 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -12.797 8.279 3.577 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.065 8.767 5.342 1.00 0.00 O ATOM 0 H ASP A 92 -10.975 9.013 2.922 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.090 10.671 5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.378 10.454 5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.382 10.954 4.267 1.00 0.00 H new ATOM 1402 N TRP A 93 -9.507 7.724 5.202 1.00 0.00 N ATOM 1403 CA TRP A 93 -8.914 6.685 6.026 1.00 0.00 C ATOM 1404 C TRP A 93 -10.013 5.682 6.386 1.00 0.00 C ATOM 1405 O TRP A 93 -10.208 5.364 7.558 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.227 7.285 7.255 1.00 0.00 C ATOM 1407 CG TRP A 93 -7.539 8.626 6.990 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -7.806 9.814 7.547 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.451 8.867 6.072 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -6.973 10.801 7.058 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.124 10.206 6.133 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -5.767 7.983 5.219 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.104 10.781 5.365 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.751 8.573 4.459 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.408 9.920 4.508 1.00 0.00 C ATOM 0 H TRP A 93 -9.196 7.727 4.231 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.129 6.161 5.480 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.967 7.418 8.044 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.488 6.576 7.628 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.576 9.980 8.286 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -6.980 11.785 7.326 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.007 6.932 5.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.867 11.833 5.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.194 7.937 3.787 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.609 10.300 3.888 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.701 5.212 5.356 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.411 3.948 5.445 1.00 0.00 C ATOM 1428 C LEU A 94 -10.537 2.835 4.864 1.00 0.00 C ATOM 1429 O LEU A 94 -10.144 2.893 3.700 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.787 4.058 4.784 1.00 0.00 C ATOM 1431 CG LEU A 94 -13.876 4.743 5.612 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -14.882 5.459 4.708 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.557 3.748 6.552 1.00 0.00 C ATOM 0 H LEU A 94 -10.782 5.684 4.455 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.603 3.692 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.675 4.602 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.128 3.054 4.531 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.405 5.503 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.646 5.938 5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.366 6.215 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.352 4.735 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.327 4.261 7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.013 2.949 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.817 3.324 7.231 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.259 1.847 5.702 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.061 1.040 5.536 1.00 0.00 C ATOM 1447 C ILE A 95 -9.463 -0.401 5.217 1.00 0.00 C ATOM 1448 O ILE A 95 -10.349 -0.960 5.862 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.154 1.169 6.761 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.241 2.574 7.362 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.714 0.779 6.421 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.301 2.716 8.561 1.00 0.00 C ATOM 0 H ILE A 95 -10.842 1.587 6.497 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.472 1.401 4.693 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.505 0.471 7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.984 3.314 6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.266 2.778 7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.090 0.880 7.309 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.689 -0.254 6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.335 1.434 5.636 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.382 3.723 8.970 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.576 1.991 9.327 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.275 2.535 8.242 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.792 -0.963 4.222 1.00 0.00 N ATOM 1465 CA TYR A 96 -8.998 -2.358 3.874 1.00 0.00 C ATOM 1466 C TYR A 96 -7.670 -3.042 3.540 1.00 0.00 C ATOM 1467 O TYR A 96 -6.733 -2.393 3.077 1.00 0.00 O ATOM 1468 CB TYR A 96 -9.884 -2.355 2.627 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.292 -1.805 2.866 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.499 -0.441 2.923 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.354 -2.671 3.024 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -12.824 0.077 3.147 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.679 -2.153 3.248 1.00 0.00 C ATOM 1474 CZ TYR A 96 -13.848 -0.804 3.299 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.099 -0.315 3.511 1.00 0.00 O ATOM 0 H TYR A 96 -8.105 -0.477 3.646 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.449 -2.898 4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.400 -1.762 1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -9.962 -3.374 2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -10.668 0.237 2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.192 -3.738 2.980 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.000 1.142 3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.519 -2.820 3.373 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.730 -1.059 3.600 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.632 -4.343 3.788 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.466 -5.137 3.442 1.00 0.00 C ATOM 1487 C LYS A 97 -6.853 -6.168 2.380 1.00 0.00 C ATOM 1488 O LYS A 97 -8.024 -6.517 2.247 1.00 0.00 O ATOM 1489 CB LYS A 97 -5.844 -5.750 4.698 1.00 0.00 C ATOM 1490 CG LYS A 97 -6.822 -6.707 5.383 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.114 -7.543 6.451 1.00 0.00 C ATOM 1492 CE LYS A 97 -7.105 -8.449 7.184 1.00 0.00 C ATOM 1493 NZ LYS A 97 -6.419 -9.210 8.252 1.00 0.00 N ATOM 0 H LYS A 97 -8.390 -4.867 4.225 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.691 -4.507 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.932 -6.285 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.559 -4.958 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.633 -6.139 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.273 -7.365 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.336 -8.149 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.621 -6.884 7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.906 -7.848 7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.568 -9.138 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.106 -9.820 8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.670 -9.798 7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.998 -8.548 8.935 1.00 0.00 H new ATOM 1507 N THR A 98 -5.845 -6.628 1.653 1.00 0.00 N ATOM 1508 CA THR A 98 -6.031 -7.739 0.735 1.00 0.00 C ATOM 1509 C THR A 98 -4.724 -8.517 0.569 1.00 0.00 C ATOM 1510 O THR A 98 -3.660 -7.923 0.398 1.00 0.00 O ATOM 1511 CB THR A 98 -6.576 -7.180 -0.580 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.667 -8.320 -1.431 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.574 -6.266 -1.289 1.00 0.00 C ATOM 0 H THR A 98 -4.897 -6.252 1.681 1.00 0.00 H new ATOM 0 HA THR A 98 -6.754 -8.457 1.124 1.00 0.00 H new ATOM 0 HB THR A 98 -7.496 -6.628 -0.385 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.608 -8.569 -1.545 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.011 -5.897 -2.217 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.330 -5.423 -0.642 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.666 -6.826 -1.514 1.00 0.00 H new ATOM 1521 N THR A 99 -4.846 -9.835 0.625 1.00 0.00 N ATOM 1522 CA THR A 99 -3.711 -10.704 0.364 1.00 0.00 C ATOM 1523 C THR A 99 -3.771 -11.243 -1.067 1.00 0.00 C ATOM 1524 O THR A 99 -2.819 -11.861 -1.542 1.00 0.00 O ATOM 1525 CB THR A 99 -3.702 -11.803 1.428 1.00 0.00 C ATOM 1526 OG1 THR A 99 -5.033 -12.311 1.414 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.529 -11.247 2.843 1.00 0.00 C ATOM 0 H THR A 99 -5.714 -10.323 0.847 1.00 0.00 H new ATOM 0 HA THR A 99 -2.770 -10.158 0.433 1.00 0.00 H new ATOM 0 HB THR A 99 -2.898 -12.508 1.215 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.116 -13.030 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.529 -12.069 3.559 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.584 -10.708 2.909 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.350 -10.567 3.070 1.00 0.00 H new ATOM 1535 N ASP A 100 -4.900 -10.991 -1.714 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.199 -11.639 -2.979 1.00 0.00 C ATOM 1537 C ASP A 100 -5.087 -10.616 -4.111 1.00 0.00 C ATOM 1538 O ASP A 100 -5.251 -10.958 -5.281 1.00 0.00 O ATOM 1539 CB ASP A 100 -6.622 -12.201 -2.988 1.00 0.00 C ATOM 1540 CG ASP A 100 -7.690 -11.264 -2.420 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -7.909 -10.206 -3.049 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.263 -11.626 -1.370 1.00 0.00 O ATOM 0 H ASP A 100 -5.619 -10.346 -1.385 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.489 -12.455 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -6.890 -12.454 -4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.634 -13.129 -2.417 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.809 -9.380 -3.722 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.696 -8.300 -4.688 1.00 0.00 C ATOM 1549 C HIS A 101 -6.006 -8.169 -5.467 1.00 0.00 C ATOM 1550 O HIS A 101 -6.144 -8.724 -6.555 1.00 0.00 O ATOM 1551 CB HIS A 101 -3.484 -8.509 -5.598 1.00 0.00 C ATOM 1552 CG HIS A 101 -3.132 -7.304 -6.438 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -3.848 -6.942 -7.566 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -2.135 -6.384 -6.303 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -3.297 -5.852 -8.079 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -2.235 -5.508 -7.295 1.00 0.00 N ATOM 0 H HIS A 101 -4.659 -9.103 -2.752 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.528 -7.358 -4.167 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.623 -8.775 -4.984 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.679 -9.355 -6.258 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -1.390 -6.370 -5.521 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -3.630 -5.328 -8.963 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -1.619 -4.709 -7.446 1.00 0.00 H new ATOM 1564 N TYR A 102 -6.936 -7.431 -4.878 1.00 0.00 N ATOM 1565 CA TYR A 102 -8.066 -6.910 -5.630 1.00 0.00 C ATOM 1566 C TYR A 102 -8.887 -8.047 -6.241 1.00 0.00 C ATOM 1567 O TYR A 102 -9.340 -7.947 -7.381 1.00 0.00 O ATOM 1568 CB TYR A 102 -7.469 -6.065 -6.757 1.00 0.00 C ATOM 1569 CG TYR A 102 -8.494 -5.207 -7.500 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -9.230 -4.262 -6.815 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -8.682 -5.377 -8.857 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -10.195 -3.454 -7.514 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -9.647 -4.569 -9.557 1.00 0.00 C ATOM 1574 CZ TYR A 102 -10.356 -3.647 -8.851 1.00 0.00 C ATOM 1575 OH TYR A 102 -11.267 -2.884 -9.512 1.00 0.00 O ATOM 0 H TYR A 102 -6.930 -7.181 -3.889 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.727 -6.335 -4.982 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.699 -5.415 -6.341 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.977 -6.725 -7.471 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.082 -4.128 -5.754 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.105 -6.116 -9.394 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.778 -2.712 -6.989 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.804 -4.692 -10.618 1.00 0.00 H new ATOM 0 HH TYR A 102 -11.274 -3.131 -10.460 1.00 0.00 H new ATOM 1585 N ALA A 103 -9.055 -9.101 -5.457 1.00 0.00 N ATOM 1586 CA ALA A 103 -10.229 -9.948 -5.583 1.00 0.00 C ATOM 1587 C ALA A 103 -11.235 -9.585 -4.488 1.00 0.00 C ATOM 1588 O ALA A 103 -12.378 -9.239 -4.780 1.00 0.00 O ATOM 1589 CB ALA A 103 -9.808 -11.418 -5.523 1.00 0.00 C ATOM 0 H ALA A 103 -8.398 -9.388 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.716 -9.787 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.689 -12.053 -5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.117 -11.632 -6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.318 -11.617 -4.570 1.00 0.00 H new ATOM 1595 N THR A 104 -10.771 -9.676 -3.250 1.00 0.00 N ATOM 1596 CA THR A 104 -11.603 -9.323 -2.112 1.00 0.00 C ATOM 1597 C THR A 104 -10.794 -8.526 -1.087 1.00 0.00 C ATOM 1598 O THR A 104 -9.576 -8.403 -1.211 1.00 0.00 O ATOM 1599 CB THR A 104 -12.200 -10.613 -1.545 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.072 -11.460 -1.345 1.00 0.00 O ATOM 1601 CG2 THR A 104 -13.053 -11.363 -2.570 1.00 0.00 C ATOM 0 H THR A 104 -9.830 -9.989 -3.010 1.00 0.00 H new ATOM 0 HA THR A 104 -12.424 -8.671 -2.409 1.00 0.00 H new ATOM 0 HB THR A 104 -12.807 -10.378 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.369 -12.319 -0.977 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.452 -12.270 -2.117 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.876 -10.726 -2.894 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.439 -11.628 -3.431 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.503 -8.005 -0.096 1.00 0.00 N ATOM 1610 CA PHE A 105 -10.870 -7.199 0.934 1.00 0.00 C ATOM 1611 C PHE A 105 -11.458 -7.510 2.312 1.00 0.00 C ATOM 1612 O PHE A 105 -12.475 -8.194 2.417 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.151 -5.735 0.591 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.307 -5.194 -0.564 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -10.736 -5.340 -1.846 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -9.128 -4.565 -0.309 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -9.953 -4.837 -2.919 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -8.345 -4.063 -1.382 1.00 0.00 C ATOM 1619 CZ PHE A 105 -8.774 -4.209 -2.664 1.00 0.00 C ATOM 0 H PHE A 105 -12.510 -8.125 0.015 1.00 0.00 H new ATOM 0 HA PHE A 105 -9.801 -7.411 0.969 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.206 -5.628 0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -10.972 -5.124 1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -11.672 -5.839 -2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -8.788 -4.447 0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -10.294 -4.953 -3.937 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.408 -3.565 -1.180 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.179 -3.826 -3.480 1.00 0.00 H new ATOM 1629 N THR A 106 -10.793 -6.993 3.334 1.00 0.00 N ATOM 1630 CA THR A 106 -11.355 -7.002 4.674 1.00 0.00 C ATOM 1631 C THR A 106 -11.116 -5.656 5.362 1.00 0.00 C ATOM 1632 O THR A 106 -10.003 -5.134 5.342 1.00 0.00 O ATOM 1633 CB THR A 106 -10.752 -8.187 5.432 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.270 -9.330 4.756 1.00 0.00 O ATOM 1635 CG2 THR A 106 -11.302 -8.314 6.854 1.00 0.00 C ATOM 0 H THR A 106 -9.870 -6.565 3.261 1.00 0.00 H new ATOM 0 HA THR A 106 -12.437 -7.131 4.648 1.00 0.00 H new ATOM 0 HB THR A 106 -9.668 -8.080 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.928 -10.144 5.181 1.00 0.00 H new ATOM 0 HG21 THR A 106 -10.841 -9.170 7.347 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.075 -7.407 7.414 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.382 -8.456 6.815 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.180 -5.134 5.954 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.116 -3.829 6.591 1.00 0.00 C ATOM 1645 C ARG A 107 -11.596 -3.963 8.024 1.00 0.00 C ATOM 1646 O ARG A 107 -12.202 -4.648 8.847 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.492 -3.161 6.616 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.368 -1.659 6.882 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.742 -0.986 6.880 1.00 0.00 C ATOM 1650 NE ARG A 107 -15.529 -1.438 8.049 1.00 0.00 N ATOM 1651 CZ ARG A 107 -16.764 -1.005 8.335 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -17.364 -0.113 7.535 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -17.400 -1.464 9.422 1.00 0.00 N ATOM 0 H ARG A 107 -13.091 -5.590 6.006 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.434 -3.209 6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -13.997 -3.325 5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.109 -3.621 7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.880 -1.495 7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.735 -1.203 6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -14.625 0.097 6.907 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.273 -1.227 5.959 1.00 0.00 H new ATOM 0 HE ARG A 107 -15.105 -2.122 8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.880 0.237 6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.304 0.216 7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.944 -2.143 10.031 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -18.340 -1.134 9.640 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.478 -3.299 8.278 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.792 -3.448 9.550 1.00 0.00 C ATOM 1669 C ILE A 108 -9.894 -2.140 10.336 1.00 0.00 C ATOM 1670 O ILE A 108 -9.781 -2.137 11.561 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.354 -3.923 9.330 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.353 -2.819 9.678 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -8.160 -4.443 7.905 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.299 -1.760 8.576 1.00 0.00 C ATOM 0 H ILE A 108 -10.030 -2.657 7.624 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.270 -4.220 10.153 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.163 -4.757 10.006 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.635 -2.352 10.622 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.363 -3.252 9.819 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.130 -4.774 7.776 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.835 -5.280 7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.377 -3.646 7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.580 -0.987 8.849 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -6.994 -2.225 7.639 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.285 -1.311 8.454 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.106 -1.059 9.599 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.178 0.259 10.207 1.00 0.00 C ATOM 1688 C ARG A 109 -9.349 0.296 11.493 1.00 0.00 C ATOM 1689 O ARG A 109 -9.913 0.734 12.519 1.00 0.00 O ATOM 1690 CB ARG A 109 -11.624 0.639 10.530 1.00 0.00 C ATOM 1691 CG ARG A 109 -12.248 -0.358 11.509 1.00 0.00 C ATOM 1692 CD ARG A 109 -13.110 -1.384 10.770 1.00 0.00 C ATOM 1693 NE ARG A 109 -13.967 -2.112 11.734 1.00 0.00 N ATOM 1694 CZ ARG A 109 -13.604 -3.240 12.359 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -12.323 -3.633 12.341 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -14.521 -3.974 13.003 1.00 0.00 N ATOM 0 H ARG A 109 -10.230 -1.069 8.587 1.00 0.00 H new ATOM 0 HA ARG A 109 -9.777 0.977 9.491 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.653 1.641 10.958 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.210 0.667 9.611 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.461 -0.870 12.063 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.857 0.176 12.239 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.729 -0.883 10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.473 -2.087 10.233 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.892 -1.731 11.935 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.625 -3.073 11.852 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.046 -4.492 12.817 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.496 -3.674 13.018 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.244 -4.833 13.479 1.00 0.00 H new