USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=19 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 140:sc= 0.00625 USER MOD Set 1.2: A 39 HIS : no HD1:sc= 0.00925 X(o=0.016,f=-0.32) USER MOD Set 2.1: A 4 HIS : no HE2:sc= 0.377 K(o=1.7,f=-3.1!) USER MOD Set 2.2: A 25 SER OG : rot -59:sc= 1.37 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.419 K(o=1.7,f=0.98) USER MOD Set 3.2: A 17 TYR OH : rot -145:sc= 1.28 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0.445 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -2.12 K(o=-2.1,f=-6.5!) USER MOD Single : A 16 LYS NZ :NH3+ -133:sc= 0.964 (180deg=-0.0348) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= 1.15 (180deg=0.299) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot -52:sc= 0.0443 USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.18) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc=-0.00825 (180deg=-0.153) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0.99) USER MOD Single : A 53 MET CE :methyl -165:sc= -0.0573 (180deg=-0.351) USER MOD Single : A 55 ASN : amide:sc= -0.0289 X(o=-0.029,f=-0.029) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 1.53 (180deg=1.23) USER MOD Single : A 65 THR OG1 : rot 80:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 61 N HIS A 4 -3.181 15.523 -7.715 1.00 0.00 N ATOM 62 CA HIS A 4 -3.690 14.287 -8.280 1.00 0.00 C ATOM 63 C HIS A 4 -3.015 13.093 -7.627 1.00 0.00 C ATOM 64 O HIS A 4 -3.478 11.981 -7.755 1.00 0.00 O ATOM 65 CB HIS A 4 -3.477 14.287 -9.820 1.00 0.00 C ATOM 66 CG HIS A 4 -3.975 13.060 -10.561 1.00 0.00 C ATOM 67 ND1 HIS A 4 -3.171 12.296 -11.374 1.00 0.00 N ATOM 68 CD2 HIS A 4 -5.201 12.492 -10.625 1.00 0.00 C ATOM 69 CE1 HIS A 4 -3.877 11.315 -11.896 1.00 0.00 C ATOM 70 NE2 HIS A 4 -5.106 11.409 -11.459 1.00 0.00 N ATOM 0 HA HIS A 4 -4.759 14.212 -8.083 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.973 15.164 -10.235 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.411 14.400 -10.019 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -2.180 12.464 -11.546 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.090 12.830 -10.113 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.504 10.560 -12.572 1.00 0.00 H new ATOM 79 N GLY A 5 -1.933 13.336 -6.936 1.00 0.00 N ATOM 80 CA GLY A 5 -1.255 12.283 -6.255 1.00 0.00 C ATOM 81 C GLY A 5 -0.720 12.749 -4.935 1.00 0.00 C ATOM 82 O GLY A 5 0.119 13.644 -4.883 1.00 0.00 O ATOM 0 H GLY A 5 -1.507 14.257 -6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.938 11.448 -6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.436 11.914 -6.873 1.00 0.00 H new ATOM 86 N LYS A 6 -1.223 12.179 -3.878 1.00 0.00 N ATOM 87 CA LYS A 6 -0.791 12.528 -2.540 1.00 0.00 C ATOM 88 C LYS A 6 -0.120 11.326 -1.901 1.00 0.00 C ATOM 89 O LYS A 6 -0.447 10.188 -2.231 1.00 0.00 O ATOM 90 CB LYS A 6 -1.991 12.985 -1.691 1.00 0.00 C ATOM 91 CG LYS A 6 -3.065 11.911 -1.494 1.00 0.00 C ATOM 92 CD LYS A 6 -4.223 12.399 -0.633 1.00 0.00 C ATOM 93 CE LYS A 6 -5.025 13.495 -1.320 1.00 0.00 C ATOM 94 NZ LYS A 6 -6.154 13.961 -0.486 1.00 0.00 N ATOM 0 H LYS A 6 -1.944 11.459 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.079 13.352 -2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.630 13.305 -0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.446 13.856 -2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.445 11.599 -2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.616 11.033 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.880 11.561 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.837 12.773 0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.370 14.336 -1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.406 13.123 -2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.674 14.707 -0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.794 13.164 -0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.790 14.340 0.411 1.00 0.00 H new ATOM 108 N TYR A 7 0.817 11.560 -1.031 1.00 0.00 N ATOM 109 CA TYR A 7 1.488 10.479 -0.357 1.00 0.00 C ATOM 110 C TYR A 7 0.954 10.270 1.035 1.00 0.00 C ATOM 111 O TYR A 7 0.960 11.186 1.865 1.00 0.00 O ATOM 112 CB TYR A 7 3.000 10.681 -0.329 1.00 0.00 C ATOM 113 CG TYR A 7 3.660 10.476 -1.666 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.093 9.216 -2.046 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.842 11.527 -2.553 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.689 9.004 -3.262 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.433 11.322 -3.779 1.00 0.00 C ATOM 118 CZ TYR A 7 4.856 10.056 -4.125 1.00 0.00 C ATOM 119 OH TYR A 7 5.425 9.837 -5.355 1.00 0.00 O ATOM 0 H TYR A 7 1.138 12.492 -0.768 1.00 0.00 H new ATOM 0 HA TYR A 7 1.282 9.577 -0.933 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.217 11.689 0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.437 9.991 0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.958 8.384 -1.371 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.516 12.519 -2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.025 8.015 -3.538 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.564 12.146 -4.465 1.00 0.00 H new ATOM 0 HH TYR A 7 5.472 10.682 -5.849 1.00 0.00 H new ATOM 129 N VAL A 8 0.472 9.084 1.274 1.00 0.00 N ATOM 130 CA VAL A 8 -0.013 8.670 2.572 1.00 0.00 C ATOM 131 C VAL A 8 0.622 7.326 2.880 1.00 0.00 C ATOM 132 O VAL A 8 1.461 6.854 2.101 1.00 0.00 O ATOM 133 CB VAL A 8 -1.579 8.570 2.655 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.248 9.896 2.315 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.124 7.451 1.789 1.00 0.00 C ATOM 0 H VAL A 8 0.401 8.358 0.561 1.00 0.00 H new ATOM 0 HA VAL A 8 0.265 9.427 3.305 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.821 8.330 3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.330 9.786 2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.916 10.661 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.977 10.191 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.210 7.419 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.849 7.629 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.705 6.500 2.117 1.00 0.00 H new ATOM 145 N TYR A 9 0.271 6.719 3.973 1.00 0.00 N ATOM 146 CA TYR A 9 0.865 5.459 4.331 1.00 0.00 C ATOM 147 C TYR A 9 -0.195 4.410 4.508 1.00 0.00 C ATOM 148 O TYR A 9 -1.335 4.712 4.864 1.00 0.00 O ATOM 149 CB TYR A 9 1.682 5.576 5.618 1.00 0.00 C ATOM 150 CG TYR A 9 2.891 6.486 5.543 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.753 7.862 5.644 1.00 0.00 C ATOM 152 CD2 TYR A 9 4.171 5.966 5.396 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.842 8.695 5.599 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.274 6.799 5.357 1.00 0.00 C ATOM 155 CZ TYR A 9 5.097 8.164 5.459 1.00 0.00 C ATOM 156 OH TYR A 9 6.182 9.003 5.432 1.00 0.00 O ATOM 0 H TYR A 9 -0.422 7.072 4.634 1.00 0.00 H new ATOM 0 HA TYR A 9 1.532 5.169 3.519 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.027 5.935 6.412 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.016 4.580 5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.767 8.287 5.761 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.306 4.898 5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.711 9.764 5.674 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.266 6.385 5.248 1.00 0.00 H new ATOM 0 HH TYR A 9 7.001 8.475 5.329 1.00 0.00 H new ATOM 166 N ILE A 10 0.160 3.194 4.242 1.00 0.00 N ATOM 167 CA ILE A 10 -0.735 2.094 4.479 1.00 0.00 C ATOM 168 C ILE A 10 -0.389 1.483 5.817 1.00 0.00 C ATOM 169 O ILE A 10 0.792 1.187 6.090 1.00 0.00 O ATOM 170 CB ILE A 10 -0.678 1.015 3.353 1.00 0.00 C ATOM 171 CG1 ILE A 10 -1.069 1.613 1.993 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.540 -0.207 3.675 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.412 2.316 1.986 1.00 0.00 C ATOM 0 H ILE A 10 1.068 2.931 3.858 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.756 2.474 4.480 1.00 0.00 H new ATOM 0 HB ILE A 10 0.356 0.674 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.299 2.321 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.085 0.816 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.467 -0.929 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.190 -0.666 4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.579 0.102 3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.612 2.709 0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.194 1.609 2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.397 3.137 2.703 1.00 0.00 H new ATOM 185 N ASP A 11 -1.395 1.328 6.659 1.00 0.00 N ATOM 186 CA ASP A 11 -1.218 0.776 7.982 1.00 0.00 C ATOM 187 C ASP A 11 -0.904 -0.685 7.903 1.00 0.00 C ATOM 188 O ASP A 11 -1.783 -1.523 7.670 1.00 0.00 O ATOM 189 CB ASP A 11 -2.431 1.030 8.909 1.00 0.00 C ATOM 190 CG ASP A 11 -2.282 0.379 10.296 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.538 0.925 11.156 1.00 0.00 O ATOM 192 OD2 ASP A 11 -2.923 -0.673 10.548 1.00 0.00 O ATOM 0 H ASP A 11 -2.358 1.583 6.440 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.373 1.298 8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.567 2.104 9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.332 0.647 8.430 1.00 0.00 H new ATOM 197 N LEU A 12 0.364 -0.973 7.972 1.00 0.00 N ATOM 198 CA LEU A 12 0.829 -2.330 8.050 1.00 0.00 C ATOM 199 C LEU A 12 0.816 -2.704 9.509 1.00 0.00 C ATOM 200 O LEU A 12 0.542 -3.831 9.872 1.00 0.00 O ATOM 201 CB LEU A 12 2.247 -2.433 7.510 1.00 0.00 C ATOM 202 CG LEU A 12 2.493 -1.855 6.120 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.944 -2.038 5.724 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.566 -2.489 5.099 1.00 0.00 C ATOM 0 H LEU A 12 1.106 -0.273 7.976 1.00 0.00 H new ATOM 0 HA LEU A 12 0.196 -2.993 7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.915 -1.932 8.210 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.531 -3.485 7.496 1.00 0.00 H new ATOM 0 HG LEU A 12 2.277 -0.787 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.105 -1.621 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.584 -1.525 6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.188 -3.100 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.760 -2.061 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.741 -3.564 5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.530 -2.298 5.380 1.00 0.00 H new ATOM 216 N ASN A 13 1.177 -1.710 10.329 1.00 0.00 N ATOM 217 CA ASN A 13 1.115 -1.745 11.803 1.00 0.00 C ATOM 218 C ASN A 13 2.093 -2.764 12.419 1.00 0.00 C ATOM 219 O ASN A 13 2.088 -3.005 13.614 1.00 0.00 O ATOM 220 CB ASN A 13 -0.333 -2.006 12.272 1.00 0.00 C ATOM 221 CG ASN A 13 -0.589 -1.561 13.697 1.00 0.00 C ATOM 222 OD1 ASN A 13 -0.427 -2.318 14.652 1.00 0.00 O ATOM 223 ND2 ASN A 13 -1.019 -0.340 13.852 1.00 0.00 N ATOM 0 H ASN A 13 1.535 -0.823 9.975 1.00 0.00 H new ATOM 0 HA ASN A 13 1.432 -0.766 12.162 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.023 -1.486 11.607 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.549 -3.071 12.187 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.231 0.011 14.786 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.143 0.264 13.039 1.00 0.00 H new ATOM 230 N ASN A 14 2.965 -3.322 11.612 1.00 0.00 N ATOM 231 CA ASN A 14 3.926 -4.308 12.120 1.00 0.00 C ATOM 232 C ASN A 14 5.288 -3.670 12.381 1.00 0.00 C ATOM 233 O ASN A 14 6.304 -4.350 12.460 1.00 0.00 O ATOM 234 CB ASN A 14 4.056 -5.553 11.205 1.00 0.00 C ATOM 235 CG ASN A 14 4.633 -5.274 9.828 1.00 0.00 C ATOM 236 OD1 ASN A 14 5.844 -5.262 9.643 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.781 -5.128 8.848 1.00 0.00 N ATOM 0 H ASN A 14 3.039 -3.123 10.614 1.00 0.00 H new ATOM 0 HA ASN A 14 3.527 -4.664 13.070 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.685 -6.290 11.705 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.071 -6.004 11.086 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.118 -4.999 7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.779 -5.143 9.037 1.00 0.00 H new ATOM 244 N GLY A 15 5.293 -2.360 12.537 1.00 0.00 N ATOM 245 CA GLY A 15 6.526 -1.637 12.815 1.00 0.00 C ATOM 246 C GLY A 15 7.069 -0.918 11.604 1.00 0.00 C ATOM 247 O GLY A 15 7.942 -0.062 11.720 1.00 0.00 O ATOM 0 H GLY A 15 4.461 -1.773 12.477 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.346 -0.914 13.611 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.277 -2.336 13.183 1.00 0.00 H new ATOM 251 N LYS A 16 6.544 -1.251 10.455 1.00 0.00 N ATOM 252 CA LYS A 16 6.926 -0.613 9.222 1.00 0.00 C ATOM 253 C LYS A 16 5.665 -0.229 8.480 1.00 0.00 C ATOM 254 O LYS A 16 4.615 -0.853 8.689 1.00 0.00 O ATOM 255 CB LYS A 16 7.857 -1.535 8.385 1.00 0.00 C ATOM 256 CG LYS A 16 7.264 -2.887 7.984 1.00 0.00 C ATOM 257 CD LYS A 16 8.337 -3.823 7.420 1.00 0.00 C ATOM 258 CE LYS A 16 7.749 -5.170 6.990 1.00 0.00 C ATOM 259 NZ LYS A 16 8.792 -6.162 6.633 1.00 0.00 N ATOM 0 H LYS A 16 5.835 -1.977 10.347 1.00 0.00 H new ATOM 0 HA LYS A 16 7.503 0.290 9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.146 -1.003 7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.769 -1.713 8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.793 -3.351 8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.482 -2.737 7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.821 -3.349 6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.108 -3.987 8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.136 -5.569 7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.090 -5.018 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.543 -6.619 5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.709 -5.681 6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.857 -6.882 7.381 1.00 0.00 H new ATOM 273 N TYR A 17 5.741 0.813 7.696 1.00 0.00 N ATOM 274 CA TYR A 17 4.616 1.340 6.937 1.00 0.00 C ATOM 275 C TYR A 17 5.048 1.604 5.516 1.00 0.00 C ATOM 276 O TYR A 17 6.187 1.949 5.276 1.00 0.00 O ATOM 277 CB TYR A 17 4.085 2.646 7.570 1.00 0.00 C ATOM 278 CG TYR A 17 3.212 2.460 8.798 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.731 2.016 10.008 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.855 2.722 8.733 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.920 1.840 11.107 1.00 0.00 C ATOM 282 CE2 TYR A 17 1.043 2.547 9.827 1.00 0.00 C ATOM 283 CZ TYR A 17 1.576 2.107 11.007 1.00 0.00 C ATOM 284 OH TYR A 17 0.760 1.918 12.084 1.00 0.00 O ATOM 0 H TYR A 17 6.604 1.339 7.557 1.00 0.00 H new ATOM 0 HA TYR A 17 3.814 0.602 6.949 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.935 3.272 7.840 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.515 3.190 6.817 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.787 1.806 10.088 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.426 3.071 7.805 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.338 1.494 12.041 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.014 2.756 9.755 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.115 1.598 11.779 1.00 0.00 H new ATOM 294 N VAL A 18 4.159 1.437 4.586 1.00 0.00 N ATOM 295 CA VAL A 18 4.484 1.674 3.195 1.00 0.00 C ATOM 296 C VAL A 18 3.950 3.031 2.771 1.00 0.00 C ATOM 297 O VAL A 18 2.832 3.410 3.146 1.00 0.00 O ATOM 298 CB VAL A 18 3.956 0.533 2.259 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.478 0.313 2.431 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.273 0.816 0.796 1.00 0.00 C ATOM 0 H VAL A 18 3.199 1.137 4.755 1.00 0.00 H new ATOM 0 HA VAL A 18 5.569 1.672 3.095 1.00 0.00 H new ATOM 0 HB VAL A 18 4.476 -0.378 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.149 -0.485 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.269 0.034 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.943 1.231 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.892 0.004 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.802 1.752 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.352 0.895 0.666 1.00 0.00 H new ATOM 310 N LYS A 19 4.755 3.763 2.041 1.00 0.00 N ATOM 311 CA LYS A 19 4.384 5.068 1.579 1.00 0.00 C ATOM 312 C LYS A 19 3.782 4.932 0.195 1.00 0.00 C ATOM 313 O LYS A 19 4.470 4.560 -0.763 1.00 0.00 O ATOM 314 CB LYS A 19 5.605 5.986 1.560 1.00 0.00 C ATOM 315 CG LYS A 19 5.292 7.425 1.209 1.00 0.00 C ATOM 316 CD LYS A 19 6.546 8.269 1.214 1.00 0.00 C ATOM 317 CE LYS A 19 6.237 9.717 0.914 1.00 0.00 C ATOM 318 NZ LYS A 19 7.447 10.556 0.910 1.00 0.00 N ATOM 0 H LYS A 19 5.687 3.466 1.752 1.00 0.00 H new ATOM 0 HA LYS A 19 3.649 5.512 2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.082 5.958 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.327 5.597 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.823 7.470 0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.574 7.829 1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.034 8.193 2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.248 7.884 0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.745 9.788 -0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.535 10.098 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.186 11.541 0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.904 10.511 1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.107 10.210 0.184 1.00 0.00 H new ATOM 332 N VAL A 20 2.523 5.216 0.093 1.00 0.00 N ATOM 333 CA VAL A 20 1.798 5.015 -1.126 1.00 0.00 C ATOM 334 C VAL A 20 1.322 6.352 -1.696 1.00 0.00 C ATOM 335 O VAL A 20 0.935 7.268 -0.952 1.00 0.00 O ATOM 336 CB VAL A 20 0.587 4.052 -0.885 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.386 4.623 0.129 1.00 0.00 C ATOM 338 CG2 VAL A 20 -0.134 3.685 -2.181 1.00 0.00 C ATOM 0 H VAL A 20 1.963 5.596 0.856 1.00 0.00 H new ATOM 0 HA VAL A 20 2.465 4.554 -1.855 1.00 0.00 H new ATOM 0 HB VAL A 20 1.004 3.132 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.213 3.928 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.126 4.776 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.771 5.576 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.965 3.016 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.514 4.590 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.562 3.187 -2.856 1.00 0.00 H new ATOM 348 N ARG A 21 1.413 6.484 -2.992 1.00 0.00 N ATOM 349 CA ARG A 21 0.897 7.638 -3.657 1.00 0.00 C ATOM 350 C ARG A 21 -0.498 7.319 -4.121 1.00 0.00 C ATOM 351 O ARG A 21 -0.711 6.366 -4.898 1.00 0.00 O ATOM 352 CB ARG A 21 1.772 8.059 -4.839 1.00 0.00 C ATOM 353 CG ARG A 21 1.314 9.349 -5.520 1.00 0.00 C ATOM 354 CD ARG A 21 2.276 9.772 -6.626 1.00 0.00 C ATOM 355 NE ARG A 21 2.342 8.796 -7.726 1.00 0.00 N ATOM 356 CZ ARG A 21 3.459 8.171 -8.149 1.00 0.00 C ATOM 357 NH1 ARG A 21 4.608 8.312 -7.489 1.00 0.00 N ATOM 358 NH2 ARG A 21 3.417 7.393 -9.231 1.00 0.00 N ATOM 0 H ARG A 21 1.845 5.796 -3.609 1.00 0.00 H new ATOM 0 HA ARG A 21 0.890 8.478 -2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.797 8.187 -4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.783 7.255 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.318 9.206 -5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.238 10.145 -4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.965 10.739 -7.022 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.272 9.906 -6.204 1.00 0.00 H new ATOM 0 HE ARG A 21 1.471 8.574 -8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.648 8.897 -6.655 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.447 7.834 -7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.540 7.271 -9.738 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.262 6.920 -9.552 1.00 0.00 H new ATOM 372 N ILE A 22 -1.427 8.064 -3.617 1.00 0.00 N ATOM 373 CA ILE A 22 -2.809 7.908 -3.944 1.00 0.00 C ATOM 374 C ILE A 22 -3.099 8.828 -5.086 1.00 0.00 C ATOM 375 O ILE A 22 -3.029 10.063 -4.926 1.00 0.00 O ATOM 376 CB ILE A 22 -3.727 8.332 -2.764 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.301 7.665 -1.455 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.193 8.030 -3.072 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.354 6.161 -1.472 1.00 0.00 C ATOM 0 H ILE A 22 -1.243 8.815 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.001 6.861 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.620 9.410 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.284 7.977 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.942 8.029 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.813 8.337 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.497 8.577 -3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.316 6.960 -3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.036 5.775 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.374 5.835 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.691 5.782 -2.250 1.00 0.00 H new ATOM 391 N LEU A 23 -3.356 8.277 -6.230 1.00 0.00 N ATOM 392 CA LEU A 23 -3.715 9.084 -7.337 1.00 0.00 C ATOM 393 C LEU A 23 -5.204 9.250 -7.296 1.00 0.00 C ATOM 394 O LEU A 23 -5.953 8.339 -7.634 1.00 0.00 O ATOM 395 CB LEU A 23 -3.297 8.422 -8.652 1.00 0.00 C ATOM 396 CG LEU A 23 -1.803 8.153 -8.838 1.00 0.00 C ATOM 397 CD1 LEU A 23 -1.560 7.407 -10.139 1.00 0.00 C ATOM 398 CD2 LEU A 23 -1.023 9.455 -8.828 1.00 0.00 C ATOM 0 H LEU A 23 -3.322 7.274 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.210 10.048 -7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.828 7.474 -8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.634 9.054 -9.474 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.458 7.535 -8.009 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.492 7.222 -10.259 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.093 6.456 -10.118 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.920 8.007 -10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.038 9.244 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.371 10.094 -9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.175 9.963 -7.876 1.00 0.00 H new ATOM 410 N LYS A 24 -5.637 10.406 -6.949 1.00 0.00 N ATOM 411 CA LYS A 24 -7.029 10.641 -6.800 1.00 0.00 C ATOM 412 C LYS A 24 -7.516 11.228 -8.086 1.00 0.00 C ATOM 413 O LYS A 24 -7.238 12.379 -8.403 1.00 0.00 O ATOM 414 CB LYS A 24 -7.260 11.564 -5.605 1.00 0.00 C ATOM 415 CG LYS A 24 -8.713 11.746 -5.203 1.00 0.00 C ATOM 416 CD LYS A 24 -8.812 12.533 -3.908 1.00 0.00 C ATOM 417 CE LYS A 24 -10.229 12.552 -3.362 1.00 0.00 C ATOM 418 NZ LYS A 24 -10.721 11.187 -3.070 1.00 0.00 N ATOM 0 H LYS A 24 -5.042 11.213 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.584 9.725 -6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.709 11.171 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.837 12.542 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.253 12.267 -5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.187 10.772 -5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.143 12.096 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.475 13.556 -4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.261 13.153 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.891 13.031 -4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.508 11.239 -2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.051 10.741 -3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.950 10.620 -2.662 1.00 0.00 H new ATOM 432 N SER A 25 -8.212 10.432 -8.833 1.00 0.00 N ATOM 433 CA SER A 25 -8.596 10.806 -10.147 1.00 0.00 C ATOM 434 C SER A 25 -10.064 11.184 -10.224 1.00 0.00 C ATOM 435 O SER A 25 -10.955 10.313 -10.313 1.00 0.00 O ATOM 436 CB SER A 25 -8.255 9.670 -11.088 1.00 0.00 C ATOM 437 OG SER A 25 -6.901 9.266 -10.880 1.00 0.00 O ATOM 0 H SER A 25 -8.528 9.506 -8.545 1.00 0.00 H new ATOM 0 HA SER A 25 -8.046 11.699 -10.443 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.927 8.829 -10.917 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.396 9.986 -12.122 1.00 0.00 H new ATOM 0 HG SER A 25 -6.304 10.027 -11.039 1.00 0.00 H new ATOM 443 N ARG A 26 -10.319 12.472 -10.171 1.00 0.00 N ATOM 444 CA ARG A 26 -11.667 12.991 -10.200 1.00 0.00 C ATOM 445 C ARG A 26 -12.159 13.092 -11.643 1.00 0.00 C ATOM 446 O ARG A 26 -13.362 13.040 -11.904 1.00 0.00 O ATOM 447 CB ARG A 26 -11.732 14.359 -9.497 1.00 0.00 C ATOM 448 CG ARG A 26 -13.145 14.904 -9.301 1.00 0.00 C ATOM 449 CD ARG A 26 -13.970 13.947 -8.464 1.00 0.00 C ATOM 450 NE ARG A 26 -15.329 14.417 -8.202 1.00 0.00 N ATOM 451 CZ ARG A 26 -15.958 14.266 -7.033 1.00 0.00 C ATOM 452 NH1 ARG A 26 -15.276 13.893 -5.952 1.00 0.00 N ATOM 453 NH2 ARG A 26 -17.251 14.544 -6.928 1.00 0.00 N ATOM 0 H ARG A 26 -9.597 13.189 -10.107 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.322 12.306 -9.662 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.250 14.276 -8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.156 15.079 -10.078 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.101 15.878 -8.814 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.622 15.053 -10.270 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.020 12.984 -8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.463 13.780 -7.514 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.827 14.889 -8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.272 13.722 -6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.757 13.778 -5.060 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.769 14.875 -7.742 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.727 14.427 -6.033 1.00 0.00 H new ATOM 467 N ASP A 27 -11.217 13.206 -12.571 1.00 0.00 N ATOM 468 CA ASP A 27 -11.524 13.295 -14.006 1.00 0.00 C ATOM 469 C ASP A 27 -12.178 12.014 -14.470 1.00 0.00 C ATOM 470 O ASP A 27 -13.149 12.028 -15.221 1.00 0.00 O ATOM 471 CB ASP A 27 -10.252 13.550 -14.824 1.00 0.00 C ATOM 472 CG ASP A 27 -10.517 13.632 -16.310 1.00 0.00 C ATOM 473 OD1 ASP A 27 -10.953 14.700 -16.785 1.00 0.00 O ATOM 474 OD2 ASP A 27 -10.303 12.619 -17.037 1.00 0.00 O ATOM 0 H ASP A 27 -10.220 13.240 -12.358 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.206 14.131 -14.159 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.791 14.480 -14.490 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.535 12.752 -14.631 1.00 0.00 H new ATOM 479 N ASP A 28 -11.623 10.909 -14.010 1.00 0.00 N ATOM 480 CA ASP A 28 -12.161 9.579 -14.270 1.00 0.00 C ATOM 481 C ASP A 28 -13.546 9.476 -13.662 1.00 0.00 C ATOM 482 O ASP A 28 -14.527 9.200 -14.346 1.00 0.00 O ATOM 483 CB ASP A 28 -11.255 8.509 -13.637 1.00 0.00 C ATOM 484 CG ASP A 28 -9.866 8.447 -14.235 1.00 0.00 C ATOM 485 OD1 ASP A 28 -9.116 9.435 -14.134 1.00 0.00 O ATOM 486 OD2 ASP A 28 -9.478 7.381 -14.765 1.00 0.00 O ATOM 0 H ASP A 28 -10.778 10.905 -13.439 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.209 9.417 -15.347 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.171 8.705 -12.568 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.730 7.534 -13.746 1.00 0.00 H new ATOM 491 N ASN A 29 -13.614 9.747 -12.376 1.00 0.00 N ATOM 492 CA ASN A 29 -14.862 9.723 -11.613 1.00 0.00 C ATOM 493 C ASN A 29 -14.570 10.241 -10.234 1.00 0.00 C ATOM 494 O ASN A 29 -15.043 11.296 -9.847 1.00 0.00 O ATOM 495 CB ASN A 29 -15.463 8.293 -11.540 1.00 0.00 C ATOM 496 CG ASN A 29 -16.768 8.214 -10.741 1.00 0.00 C ATOM 497 OD1 ASN A 29 -17.848 8.447 -11.272 1.00 0.00 O ATOM 498 ND2 ASN A 29 -16.683 7.825 -9.490 1.00 0.00 N ATOM 0 H ASN A 29 -12.798 9.994 -11.816 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.602 10.350 -12.110 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -15.645 7.933 -12.553 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.730 7.623 -11.090 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.530 7.709 -8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.770 7.638 -9.075 1.00 0.00 H new ATOM 505 N SER A 30 -13.750 9.489 -9.527 1.00 0.00 N ATOM 506 CA SER A 30 -13.259 9.797 -8.191 1.00 0.00 C ATOM 507 C SER A 30 -12.468 8.565 -7.767 1.00 0.00 C ATOM 508 O SER A 30 -12.474 8.144 -6.614 1.00 0.00 O ATOM 509 CB SER A 30 -14.433 10.063 -7.216 1.00 0.00 C ATOM 510 OG SER A 30 -13.974 10.612 -5.989 1.00 0.00 O ATOM 0 H SER A 30 -13.389 8.604 -9.882 1.00 0.00 H new ATOM 0 HA SER A 30 -12.647 10.699 -8.181 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.144 10.747 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.966 9.132 -7.023 1.00 0.00 H new ATOM 0 HG SER A 30 -13.262 10.046 -5.624 1.00 0.00 H new ATOM 516 N VAL A 31 -11.749 8.023 -8.726 1.00 0.00 N ATOM 517 CA VAL A 31 -11.049 6.775 -8.544 1.00 0.00 C ATOM 518 C VAL A 31 -9.692 7.040 -7.947 1.00 0.00 C ATOM 519 O VAL A 31 -8.888 7.779 -8.523 1.00 0.00 O ATOM 520 CB VAL A 31 -10.879 6.023 -9.890 1.00 0.00 C ATOM 521 CG1 VAL A 31 -10.209 4.666 -9.685 1.00 0.00 C ATOM 522 CG2 VAL A 31 -12.219 5.856 -10.589 1.00 0.00 C ATOM 0 H VAL A 31 -11.635 8.436 -9.652 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.639 6.150 -7.873 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.231 6.626 -10.526 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.104 4.163 -10.646 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.224 4.810 -9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.820 4.055 -9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.075 5.326 -11.531 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.894 5.285 -9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.651 6.837 -10.787 1.00 0.00 H new ATOM 532 N GLU A 32 -9.451 6.490 -6.796 1.00 0.00 N ATOM 533 CA GLU A 32 -8.176 6.628 -6.170 1.00 0.00 C ATOM 534 C GLU A 32 -7.314 5.450 -6.556 1.00 0.00 C ATOM 535 O GLU A 32 -7.469 4.349 -6.044 1.00 0.00 O ATOM 536 CB GLU A 32 -8.313 6.775 -4.664 1.00 0.00 C ATOM 537 CG GLU A 32 -9.203 7.942 -4.277 1.00 0.00 C ATOM 538 CD GLU A 32 -9.227 8.207 -2.807 1.00 0.00 C ATOM 539 OE1 GLU A 32 -9.623 7.318 -2.036 1.00 0.00 O ATOM 540 OE2 GLU A 32 -8.888 9.341 -2.397 1.00 0.00 O ATOM 0 H GLU A 32 -10.128 5.938 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.693 7.541 -6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.723 5.855 -4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.326 6.912 -4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.861 8.838 -4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.219 7.744 -4.620 1.00 0.00 H new ATOM 547 N LYS A 33 -6.463 5.695 -7.506 1.00 0.00 N ATOM 548 CA LYS A 33 -5.595 4.696 -8.066 1.00 0.00 C ATOM 549 C LYS A 33 -4.347 4.638 -7.228 1.00 0.00 C ATOM 550 O LYS A 33 -3.905 5.657 -6.689 1.00 0.00 O ATOM 551 CB LYS A 33 -5.252 5.062 -9.516 1.00 0.00 C ATOM 552 CG LYS A 33 -6.477 5.359 -10.362 1.00 0.00 C ATOM 553 CD LYS A 33 -6.117 5.753 -11.779 1.00 0.00 C ATOM 554 CE LYS A 33 -7.365 6.135 -12.548 1.00 0.00 C ATOM 555 NZ LYS A 33 -7.082 6.476 -13.951 1.00 0.00 N ATOM 0 H LYS A 33 -6.348 6.617 -7.926 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.084 3.722 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.596 5.933 -9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.695 4.242 -9.969 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.122 4.480 -10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.049 6.162 -9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.419 6.590 -11.765 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.613 4.925 -12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.075 5.309 -12.515 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.842 6.985 -12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.975 6.531 -14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.597 7.395 -13.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.474 5.744 -14.371 1.00 0.00 H new ATOM 569 N TYR A 34 -3.781 3.491 -7.108 1.00 0.00 N ATOM 570 CA TYR A 34 -2.654 3.337 -6.251 1.00 0.00 C ATOM 571 C TYR A 34 -1.387 3.156 -7.047 1.00 0.00 C ATOM 572 O TYR A 34 -1.399 2.601 -8.165 1.00 0.00 O ATOM 573 CB TYR A 34 -2.891 2.183 -5.271 1.00 0.00 C ATOM 574 CG TYR A 34 -4.149 2.386 -4.443 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.155 3.254 -3.365 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.337 1.739 -4.766 1.00 0.00 C ATOM 577 CE1 TYR A 34 -5.304 3.468 -2.626 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.487 1.954 -4.035 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.462 2.819 -2.964 1.00 0.00 C ATOM 580 OH TYR A 34 -7.605 3.036 -2.226 1.00 0.00 O ATOM 0 H TYR A 34 -4.077 2.643 -7.591 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.528 4.249 -5.667 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.969 1.248 -5.825 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.032 2.089 -4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.247 3.773 -3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.360 1.057 -5.603 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.288 4.145 -1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.402 1.446 -4.301 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.339 2.502 -2.595 1.00 0.00 H new ATOM 590 N VAL A 35 -0.307 3.666 -6.504 1.00 0.00 N ATOM 591 CA VAL A 35 0.995 3.548 -7.121 1.00 0.00 C ATOM 592 C VAL A 35 1.443 2.060 -7.130 1.00 0.00 C ATOM 593 O VAL A 35 0.970 1.251 -6.326 1.00 0.00 O ATOM 594 CB VAL A 35 2.034 4.443 -6.376 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.321 3.943 -4.974 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.309 4.640 -7.177 1.00 0.00 C ATOM 0 H VAL A 35 -0.305 4.176 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 35 0.934 3.895 -8.152 1.00 0.00 H new ATOM 0 HB VAL A 35 1.573 5.425 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.049 4.598 -4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.399 3.940 -4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.721 2.930 -5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.998 5.270 -6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.773 3.672 -7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.072 5.120 -8.126 1.00 0.00 H new ATOM 606 N LEU A 36 2.312 1.714 -8.052 1.00 0.00 N ATOM 607 CA LEU A 36 2.777 0.347 -8.200 1.00 0.00 C ATOM 608 C LEU A 36 4.009 0.081 -7.311 1.00 0.00 C ATOM 609 O LEU A 36 4.498 -1.049 -7.220 1.00 0.00 O ATOM 610 CB LEU A 36 3.085 0.048 -9.684 1.00 0.00 C ATOM 611 CG LEU A 36 3.392 -1.416 -10.047 1.00 0.00 C ATOM 612 CD1 LEU A 36 2.198 -2.310 -9.750 1.00 0.00 C ATOM 613 CD2 LEU A 36 3.786 -1.533 -11.507 1.00 0.00 C ATOM 0 H LEU A 36 2.718 2.368 -8.721 1.00 0.00 H new ATOM 0 HA LEU A 36 1.985 -0.326 -7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.233 0.375 -10.280 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.937 0.658 -9.984 1.00 0.00 H new ATOM 0 HG LEU A 36 4.230 -1.747 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.439 -3.339 -10.015 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.958 -2.255 -8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.340 -1.977 -10.334 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.999 -2.575 -11.744 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.968 -1.178 -12.134 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.674 -0.930 -11.694 1.00 0.00 H new ATOM 625 N THR A 37 4.496 1.109 -6.649 1.00 0.00 N ATOM 626 CA THR A 37 5.668 0.956 -5.826 1.00 0.00 C ATOM 627 C THR A 37 5.239 0.590 -4.397 1.00 0.00 C ATOM 628 O THR A 37 4.121 0.881 -3.973 1.00 0.00 O ATOM 629 CB THR A 37 6.581 2.237 -5.835 1.00 0.00 C ATOM 630 OG1 THR A 37 7.840 1.941 -5.239 1.00 0.00 O ATOM 631 CG2 THR A 37 5.961 3.390 -5.058 1.00 0.00 C ATOM 0 H THR A 37 4.101 2.049 -6.666 1.00 0.00 H new ATOM 0 HA THR A 37 6.273 0.151 -6.243 1.00 0.00 H new ATOM 0 HB THR A 37 6.697 2.532 -6.878 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.554 2.382 -5.746 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.627 4.252 -5.092 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.002 3.655 -5.503 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.809 3.090 -4.021 1.00 0.00 H new ATOM 639 N SER A 38 6.111 -0.066 -3.695 1.00 0.00 N ATOM 640 CA SER A 38 5.825 -0.579 -2.386 1.00 0.00 C ATOM 641 C SER A 38 6.891 -0.114 -1.375 1.00 0.00 C ATOM 642 O SER A 38 7.141 -0.786 -0.379 1.00 0.00 O ATOM 643 CB SER A 38 5.753 -2.100 -2.481 1.00 0.00 C ATOM 644 OG SER A 38 4.800 -2.491 -3.476 1.00 0.00 O ATOM 0 H SER A 38 7.058 -0.264 -4.019 1.00 0.00 H new ATOM 0 HA SER A 38 4.870 -0.197 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.735 -2.503 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.473 -2.519 -1.515 1.00 0.00 H new ATOM 0 HG SER A 38 4.764 -3.469 -3.528 1.00 0.00 H new ATOM 650 N HIS A 39 7.515 1.039 -1.671 1.00 0.00 N ATOM 651 CA HIS A 39 8.563 1.644 -0.801 1.00 0.00 C ATOM 652 C HIS A 39 8.125 1.719 0.670 1.00 0.00 C ATOM 653 O HIS A 39 7.181 2.445 1.021 1.00 0.00 O ATOM 654 CB HIS A 39 8.930 3.071 -1.252 1.00 0.00 C ATOM 655 CG HIS A 39 9.549 3.198 -2.608 1.00 0.00 C ATOM 656 ND1 HIS A 39 9.485 4.356 -3.341 1.00 0.00 N ATOM 657 CD2 HIS A 39 10.279 2.333 -3.347 1.00 0.00 C ATOM 658 CE1 HIS A 39 10.138 4.206 -4.466 1.00 0.00 C ATOM 659 NE2 HIS A 39 10.632 2.992 -4.498 1.00 0.00 N ATOM 0 H HIS A 39 7.316 1.582 -2.511 1.00 0.00 H new ATOM 0 HA HIS A 39 9.428 0.988 -0.894 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.026 3.680 -1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.618 3.495 -0.521 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.535 1.318 -3.082 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.250 4.955 -5.236 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.189 2.600 -5.257 1.00 0.00 H new ATOM 668 N VAL A 40 8.810 0.985 1.514 1.00 0.00 N ATOM 669 CA VAL A 40 8.500 0.972 2.925 1.00 0.00 C ATOM 670 C VAL A 40 9.377 1.876 3.742 1.00 0.00 C ATOM 671 O VAL A 40 10.560 2.098 3.438 1.00 0.00 O ATOM 672 CB VAL A 40 8.448 -0.441 3.557 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.131 -1.087 3.249 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.588 -1.320 3.051 1.00 0.00 C ATOM 0 H VAL A 40 9.591 0.385 1.247 1.00 0.00 H new ATOM 0 HA VAL A 40 7.486 1.371 2.957 1.00 0.00 H new ATOM 0 HB VAL A 40 8.560 -0.333 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.100 -2.081 3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.323 -0.480 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.011 -1.171 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.522 -2.304 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.515 -1.423 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.543 -0.861 3.308 1.00 0.00 H new ATOM 684 N SER A 41 8.784 2.398 4.762 1.00 0.00 N ATOM 685 CA SER A 41 9.397 3.268 5.698 1.00 0.00 C ATOM 686 C SER A 41 9.207 2.660 7.083 1.00 0.00 C ATOM 687 O SER A 41 8.225 1.955 7.324 1.00 0.00 O ATOM 688 CB SER A 41 8.706 4.636 5.622 1.00 0.00 C ATOM 689 OG SER A 41 8.728 5.136 4.287 1.00 0.00 O ATOM 0 H SER A 41 7.803 2.216 4.973 1.00 0.00 H new ATOM 0 HA SER A 41 10.459 3.396 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.676 4.549 5.966 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.206 5.339 6.288 1.00 0.00 H new ATOM 0 HG SER A 41 8.282 6.008 4.257 1.00 0.00 H new ATOM 695 N LYS A 42 10.118 2.908 7.977 1.00 0.00 N ATOM 696 CA LYS A 42 10.008 2.365 9.323 1.00 0.00 C ATOM 697 C LYS A 42 9.270 3.333 10.227 1.00 0.00 C ATOM 698 O LYS A 42 9.017 3.050 11.385 1.00 0.00 O ATOM 699 CB LYS A 42 11.390 2.055 9.898 1.00 0.00 C ATOM 700 CG LYS A 42 12.165 1.018 9.108 1.00 0.00 C ATOM 701 CD LYS A 42 13.469 0.662 9.789 1.00 0.00 C ATOM 702 CE LYS A 42 14.217 -0.393 9.000 1.00 0.00 C ATOM 703 NZ LYS A 42 15.433 -0.864 9.696 1.00 0.00 N ATOM 0 H LYS A 42 10.947 3.479 7.812 1.00 0.00 H new ATOM 0 HA LYS A 42 9.441 1.435 9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.971 2.976 9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.276 1.705 10.924 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.558 0.120 8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.368 1.399 8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.087 1.554 9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.270 0.297 10.797 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.557 -1.240 8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.493 0.013 8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.908 -1.584 9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.078 -0.062 9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.170 -1.277 10.613 1.00 0.00 H new ATOM 717 N ASN A 43 8.912 4.465 9.673 1.00 0.00 N ATOM 718 CA ASN A 43 8.255 5.526 10.417 1.00 0.00 C ATOM 719 C ASN A 43 6.798 5.227 10.635 1.00 0.00 C ATOM 720 O ASN A 43 6.078 4.898 9.685 1.00 0.00 O ATOM 721 CB ASN A 43 8.359 6.877 9.679 1.00 0.00 C ATOM 722 CG ASN A 43 9.739 7.527 9.679 1.00 0.00 C ATOM 723 OD1 ASN A 43 10.780 6.755 9.795 1.00 0.00 O flip ATOM 724 ND2 ASN A 43 9.848 8.749 9.606 1.00 0.00 N flip ATOM 0 H ASN A 43 9.066 4.683 8.689 1.00 0.00 H new ATOM 0 HA ASN A 43 8.766 5.587 11.378 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.047 6.730 8.645 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.651 7.572 10.130 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.015 9.331 9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.771 9.181 9.636 1.00 0.00 H new ATOM 731 N ARG A 44 6.365 5.309 11.874 1.00 0.00 N ATOM 732 CA ARG A 44 4.961 5.242 12.164 1.00 0.00 C ATOM 733 C ARG A 44 4.417 6.656 12.022 1.00 0.00 C ATOM 734 O ARG A 44 4.804 7.546 12.788 1.00 0.00 O ATOM 735 CB ARG A 44 4.677 4.712 13.568 1.00 0.00 C ATOM 736 CG ARG A 44 5.161 3.296 13.824 1.00 0.00 C ATOM 737 CD ARG A 44 4.617 2.793 15.142 1.00 0.00 C ATOM 738 NE ARG A 44 5.111 1.465 15.494 1.00 0.00 N ATOM 739 CZ ARG A 44 4.455 0.579 16.255 1.00 0.00 C ATOM 740 NH1 ARG A 44 3.219 0.832 16.657 1.00 0.00 N ATOM 741 NH2 ARG A 44 5.032 -0.559 16.600 1.00 0.00 N ATOM 0 H ARG A 44 6.967 5.422 12.690 1.00 0.00 H new ATOM 0 HA ARG A 44 4.481 4.547 11.475 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.144 5.377 14.294 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.602 4.751 13.745 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.839 2.641 13.015 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.251 3.273 13.838 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.885 3.495 15.931 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.528 2.769 15.094 1.00 0.00 H new ATOM 0 HE ARG A 44 6.025 1.191 15.133 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.763 1.704 16.387 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.723 0.155 17.236 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.980 -0.765 16.287 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.529 -1.231 17.180 1.00 0.00 H new ATOM 755 N PRO A 45 3.556 6.899 11.037 1.00 0.00 N ATOM 756 CA PRO A 45 3.053 8.241 10.731 1.00 0.00 C ATOM 757 C PRO A 45 2.273 8.878 11.870 1.00 0.00 C ATOM 758 O PRO A 45 1.463 8.219 12.551 1.00 0.00 O ATOM 759 CB PRO A 45 2.138 8.025 9.529 1.00 0.00 C ATOM 760 CG PRO A 45 2.532 6.706 8.982 1.00 0.00 C ATOM 761 CD PRO A 45 2.981 5.896 10.143 1.00 0.00 C ATOM 0 HA PRO A 45 3.880 8.927 10.548 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.089 8.033 9.825 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.266 8.814 8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.694 6.228 8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.331 6.811 8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.151 5.366 10.611 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.716 5.145 9.852 1.00 0.00 H new ATOM 769 N LYS A 46 2.535 10.137 12.085 1.00 0.00 N ATOM 770 CA LYS A 46 1.858 10.899 13.093 1.00 0.00 C ATOM 771 C LYS A 46 0.864 11.875 12.457 1.00 0.00 C ATOM 772 O LYS A 46 -0.252 12.030 12.939 1.00 0.00 O ATOM 773 CB LYS A 46 2.870 11.658 13.963 1.00 0.00 C ATOM 774 CG LYS A 46 2.237 12.472 15.078 1.00 0.00 C ATOM 775 CD LYS A 46 3.274 13.247 15.874 1.00 0.00 C ATOM 776 CE LYS A 46 2.615 14.101 16.951 1.00 0.00 C ATOM 777 NZ LYS A 46 1.904 13.282 17.955 1.00 0.00 N ATOM 0 H LYS A 46 3.231 10.666 11.560 1.00 0.00 H new ATOM 0 HA LYS A 46 1.303 10.208 13.728 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.567 10.943 14.400 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.453 12.324 13.327 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.512 13.166 14.654 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.689 11.808 15.746 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.976 12.552 16.336 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.850 13.884 15.203 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.374 14.705 17.449 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.913 14.792 16.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.632 13.880 18.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.051 12.871 17.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.528 12.518 18.285 1.00 0.00 H new ATOM 791 N ASN A 47 1.258 12.519 11.366 1.00 0.00 N ATOM 792 CA ASN A 47 0.390 13.530 10.745 1.00 0.00 C ATOM 793 C ASN A 47 -0.083 13.096 9.362 1.00 0.00 C ATOM 794 O ASN A 47 -0.801 13.834 8.667 1.00 0.00 O ATOM 795 CB ASN A 47 1.084 14.916 10.664 1.00 0.00 C ATOM 796 CG ASN A 47 2.169 15.042 9.585 1.00 0.00 C ATOM 797 OD1 ASN A 47 2.842 14.070 9.215 1.00 0.00 O ATOM 798 ND2 ASN A 47 2.352 16.239 9.083 1.00 0.00 N ATOM 0 H ASN A 47 2.151 12.370 10.896 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.484 13.625 11.390 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.323 15.675 10.482 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.531 15.138 11.633 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.064 16.389 8.368 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.782 17.021 9.407 1.00 0.00 H new ATOM 805 N ALA A 48 0.307 11.916 8.959 1.00 0.00 N ATOM 806 CA ALA A 48 -0.086 11.416 7.670 1.00 0.00 C ATOM 807 C ALA A 48 -1.272 10.492 7.802 1.00 0.00 C ATOM 808 O ALA A 48 -1.526 9.943 8.884 1.00 0.00 O ATOM 809 CB ALA A 48 1.064 10.718 6.979 1.00 0.00 C ATOM 0 H ALA A 48 0.895 11.285 9.503 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.376 12.266 7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.735 10.351 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.887 11.420 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.400 9.879 7.589 1.00 0.00 H new ATOM 815 N ILE A 49 -1.979 10.319 6.721 1.00 0.00 N ATOM 816 CA ILE A 49 -3.151 9.479 6.697 1.00 0.00 C ATOM 817 C ILE A 49 -2.725 8.038 6.493 1.00 0.00 C ATOM 818 O ILE A 49 -1.828 7.754 5.683 1.00 0.00 O ATOM 819 CB ILE A 49 -4.123 9.917 5.555 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.569 11.380 5.749 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.334 8.987 5.442 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.262 11.657 7.075 1.00 0.00 C ATOM 0 H ILE A 49 -1.761 10.757 5.826 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.678 9.577 7.646 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.574 9.844 4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.695 12.027 5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.243 11.652 4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.982 9.330 4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.995 7.973 5.229 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.888 8.995 6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.541 12.709 7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.157 11.040 7.154 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.585 11.421 7.896 1.00 0.00 H new ATOM 834 N VAL A 50 -3.312 7.153 7.257 1.00 0.00 N ATOM 835 CA VAL A 50 -3.031 5.755 7.145 1.00 0.00 C ATOM 836 C VAL A 50 -4.276 4.992 6.719 1.00 0.00 C ATOM 837 O VAL A 50 -5.357 5.161 7.288 1.00 0.00 O ATOM 838 CB VAL A 50 -2.414 5.144 8.450 1.00 0.00 C ATOM 839 CG1 VAL A 50 -1.088 5.803 8.765 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.354 5.268 9.645 1.00 0.00 C ATOM 0 H VAL A 50 -3.999 7.387 7.974 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.270 5.650 6.372 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.257 4.082 8.264 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.672 5.368 9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.397 5.644 7.937 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.239 6.873 8.911 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.883 4.831 10.525 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.567 6.320 9.832 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.284 4.741 9.432 1.00 0.00 H new ATOM 850 N ILE A 51 -4.137 4.228 5.682 1.00 0.00 N ATOM 851 CA ILE A 51 -5.208 3.393 5.191 1.00 0.00 C ATOM 852 C ILE A 51 -4.804 1.967 5.493 1.00 0.00 C ATOM 853 O ILE A 51 -3.679 1.596 5.227 1.00 0.00 O ATOM 854 CB ILE A 51 -5.393 3.573 3.661 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.592 5.060 3.319 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.579 2.747 3.159 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.671 5.349 1.835 1.00 0.00 C ATOM 0 H ILE A 51 -3.274 4.159 5.142 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.153 3.657 5.665 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.492 3.217 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.507 5.412 3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.769 5.633 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.691 2.888 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.403 1.692 3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.489 3.072 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.812 6.419 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.747 5.031 1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.512 4.806 1.403 1.00 0.00 H new ATOM 869 N LYS A 52 -5.671 1.187 6.066 1.00 0.00 N ATOM 870 CA LYS A 52 -5.302 -0.154 6.460 1.00 0.00 C ATOM 871 C LYS A 52 -5.357 -1.091 5.250 1.00 0.00 C ATOM 872 O LYS A 52 -6.170 -0.887 4.345 1.00 0.00 O ATOM 873 CB LYS A 52 -6.206 -0.647 7.584 1.00 0.00 C ATOM 874 CG LYS A 52 -5.562 -1.692 8.471 1.00 0.00 C ATOM 875 CD LYS A 52 -6.531 -2.188 9.514 1.00 0.00 C ATOM 876 CE LYS A 52 -5.836 -3.020 10.583 1.00 0.00 C ATOM 877 NZ LYS A 52 -4.933 -2.205 11.437 1.00 0.00 N ATOM 0 H LYS A 52 -6.635 1.447 6.273 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.279 -0.145 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.504 0.203 8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.116 -1.062 7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.218 -2.528 7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.683 -1.269 8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.028 -1.338 9.981 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.306 -2.786 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.587 -3.502 11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.262 -3.814 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.629 -2.768 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.099 -1.918 10.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.438 -1.358 11.766 1.00 0.00 H new ATOM 891 N MET A 53 -4.508 -2.134 5.269 1.00 0.00 N ATOM 892 CA MET A 53 -4.323 -3.083 4.141 1.00 0.00 C ATOM 893 C MET A 53 -5.629 -3.677 3.628 1.00 0.00 C ATOM 894 O MET A 53 -5.798 -3.878 2.430 1.00 0.00 O ATOM 895 CB MET A 53 -3.368 -4.225 4.531 1.00 0.00 C ATOM 896 CG MET A 53 -1.959 -3.770 4.885 1.00 0.00 C ATOM 897 SD MET A 53 -0.823 -5.137 5.228 1.00 0.00 S ATOM 898 CE MET A 53 -1.606 -5.919 6.638 1.00 0.00 C ATOM 0 H MET A 53 -3.921 -2.350 6.075 1.00 0.00 H new ATOM 0 HA MET A 53 -3.891 -2.493 3.332 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.789 -4.760 5.382 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.312 -4.934 3.705 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.561 -3.175 4.063 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.005 -3.118 5.758 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.899 -6.596 7.117 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.918 -5.156 7.351 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.478 -6.481 6.304 1.00 0.00 H new ATOM 908 N ASP A 54 -6.556 -3.905 4.536 1.00 0.00 N ATOM 909 CA ASP A 54 -7.857 -4.523 4.218 1.00 0.00 C ATOM 910 C ASP A 54 -8.686 -3.696 3.217 1.00 0.00 C ATOM 911 O ASP A 54 -9.497 -4.241 2.464 1.00 0.00 O ATOM 912 CB ASP A 54 -8.650 -4.759 5.514 1.00 0.00 C ATOM 913 CG ASP A 54 -10.015 -5.381 5.288 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.092 -6.510 4.767 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.043 -4.773 5.678 1.00 0.00 O ATOM 0 H ASP A 54 -6.442 -3.671 5.522 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.653 -5.477 3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.070 -5.406 6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.775 -3.808 6.032 1.00 0.00 H new ATOM 920 N ASN A 55 -8.429 -2.397 3.166 1.00 0.00 N ATOM 921 CA ASN A 55 -9.191 -1.487 2.299 1.00 0.00 C ATOM 922 C ASN A 55 -8.612 -1.463 0.874 1.00 0.00 C ATOM 923 O ASN A 55 -9.236 -0.959 -0.065 1.00 0.00 O ATOM 924 CB ASN A 55 -9.200 -0.064 2.913 1.00 0.00 C ATOM 925 CG ASN A 55 -10.050 0.954 2.148 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.255 1.079 2.388 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.440 1.707 1.260 1.00 0.00 N ATOM 0 H ASN A 55 -7.699 -1.941 3.713 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.216 -1.850 2.230 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.566 -0.127 3.938 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.175 0.303 2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.963 2.417 0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.443 1.581 1.083 1.00 0.00 H new ATOM 934 N LEU A 56 -7.444 -2.036 0.710 1.00 0.00 N ATOM 935 CA LEU A 56 -6.759 -2.010 -0.573 1.00 0.00 C ATOM 936 C LEU A 56 -7.253 -3.116 -1.497 1.00 0.00 C ATOM 937 O LEU A 56 -7.561 -4.220 -1.032 1.00 0.00 O ATOM 938 CB LEU A 56 -5.221 -2.095 -0.410 1.00 0.00 C ATOM 939 CG LEU A 56 -4.477 -0.828 0.074 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.671 0.317 -0.897 1.00 0.00 C ATOM 941 CD2 LEU A 56 -4.919 -0.411 1.456 1.00 0.00 C ATOM 0 H LEU A 56 -6.941 -2.529 1.448 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.997 -1.050 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.002 -2.900 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.798 -2.386 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.417 -1.079 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.138 1.196 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.281 0.035 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.733 0.546 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.373 0.482 1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.988 -0.197 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.716 -1.217 2.161 1.00 0.00 H new ATOM 953 N PRO A 57 -7.367 -2.825 -2.814 1.00 0.00 N ATOM 954 CA PRO A 57 -7.759 -3.818 -3.823 1.00 0.00 C ATOM 955 C PRO A 57 -6.763 -4.986 -3.873 1.00 0.00 C ATOM 956 O PRO A 57 -5.584 -4.845 -3.464 1.00 0.00 O ATOM 957 CB PRO A 57 -7.726 -3.028 -5.140 1.00 0.00 C ATOM 958 CG PRO A 57 -7.865 -1.610 -4.733 1.00 0.00 C ATOM 959 CD PRO A 57 -7.152 -1.500 -3.424 1.00 0.00 C ATOM 0 HA PRO A 57 -8.731 -4.264 -3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.793 -3.196 -5.679 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.536 -3.331 -5.803 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.427 -0.943 -5.476 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.914 -1.331 -4.633 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.092 -1.286 -3.559 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.563 -0.701 -2.807 1.00 0.00 H new ATOM 967 N ILE A 58 -7.205 -6.110 -4.411 1.00 0.00 N ATOM 968 CA ILE A 58 -6.418 -7.334 -4.394 1.00 0.00 C ATOM 969 C ILE A 58 -5.086 -7.237 -5.132 1.00 0.00 C ATOM 970 O ILE A 58 -4.108 -7.841 -4.710 1.00 0.00 O ATOM 971 CB ILE A 58 -7.240 -8.628 -4.760 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.977 -8.547 -6.126 1.00 0.00 C ATOM 973 CG2 ILE A 58 -8.225 -8.955 -3.653 1.00 0.00 C ATOM 974 CD1 ILE A 58 -7.101 -8.695 -7.357 1.00 0.00 C ATOM 0 H ILE A 58 -8.112 -6.201 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.145 -7.455 -3.346 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.507 -9.429 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.742 -9.323 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.493 -7.589 -6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.786 -9.851 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.683 -9.128 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.914 -8.121 -3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.717 -8.623 -8.253 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.351 -7.904 -7.367 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.604 -9.665 -7.336 1.00 0.00 H new ATOM 986 N GLU A 59 -5.030 -6.440 -6.186 1.00 0.00 N ATOM 987 CA GLU A 59 -3.795 -6.268 -6.929 1.00 0.00 C ATOM 988 C GLU A 59 -2.779 -5.460 -6.149 1.00 0.00 C ATOM 989 O GLU A 59 -1.565 -5.713 -6.237 1.00 0.00 O ATOM 990 CB GLU A 59 -4.016 -5.631 -8.285 1.00 0.00 C ATOM 991 CG GLU A 59 -4.803 -6.480 -9.245 1.00 0.00 C ATOM 992 CD GLU A 59 -4.717 -5.953 -10.638 1.00 0.00 C ATOM 993 OE1 GLU A 59 -3.628 -6.044 -11.241 1.00 0.00 O ATOM 994 OE2 GLU A 59 -5.721 -5.426 -11.150 1.00 0.00 O ATOM 0 H GLU A 59 -5.821 -5.905 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.403 -7.273 -7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.534 -4.682 -8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.047 -5.404 -8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.429 -7.503 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.846 -6.514 -8.931 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.263 -4.519 -5.373 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.390 -3.676 -4.594 1.00 0.00 C ATOM 1003 C VAL A 60 -1.801 -4.498 -3.460 1.00 0.00 C ATOM 1004 O VAL A 60 -0.590 -4.498 -3.245 1.00 0.00 O ATOM 1005 CB VAL A 60 -3.128 -2.431 -4.033 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -2.159 -1.510 -3.304 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.839 -1.680 -5.148 1.00 0.00 C ATOM 0 H VAL A 60 -4.257 -4.319 -5.265 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.597 -3.306 -5.244 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.876 -2.775 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.699 -0.645 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.699 -2.048 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.384 -1.177 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.350 -0.811 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.110 -1.353 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.568 -2.337 -5.622 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.665 -5.267 -2.786 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.237 -6.131 -1.680 1.00 0.00 C ATOM 1019 C LYS A 61 -1.268 -7.186 -2.177 1.00 0.00 C ATOM 1020 O LYS A 61 -0.338 -7.559 -1.482 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.426 -6.798 -0.997 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.425 -5.810 -0.444 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.468 -6.480 0.450 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.290 -7.522 -0.289 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.292 -8.145 0.594 1.00 0.00 N ATOM 0 H LYS A 61 -3.664 -5.308 -2.987 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.736 -5.500 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.928 -7.451 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.063 -7.431 -0.187 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.899 -5.045 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.927 -5.304 -1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.967 -6.951 1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.134 -5.719 0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.791 -7.057 -1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.629 -8.290 -0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.836 -8.851 0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.812 -8.610 1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.937 -7.414 0.957 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.506 -7.625 -3.393 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.657 -8.586 -4.124 1.00 0.00 C ATOM 1041 C ASP A 62 0.797 -8.106 -4.103 1.00 0.00 C ATOM 1042 O ASP A 62 1.719 -8.822 -3.625 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.191 -8.662 -5.577 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.334 -9.399 -6.575 1.00 0.00 C ATOM 1045 OD1 ASP A 62 0.561 -8.772 -7.184 1.00 0.00 O ATOM 1046 OD2 ASP A 62 -0.591 -10.588 -6.840 1.00 0.00 O ATOM 0 H ASP A 62 -2.318 -7.323 -3.932 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.689 -9.573 -3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.172 -9.137 -5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.337 -7.645 -5.940 1.00 0.00 H new ATOM 1051 N LYS A 63 0.974 -6.857 -4.519 1.00 0.00 N ATOM 1052 CA LYS A 63 2.292 -6.232 -4.585 1.00 0.00 C ATOM 1053 C LYS A 63 2.856 -6.053 -3.185 1.00 0.00 C ATOM 1054 O LYS A 63 3.956 -6.526 -2.884 1.00 0.00 O ATOM 1055 CB LYS A 63 2.196 -4.856 -5.256 1.00 0.00 C ATOM 1056 CG LYS A 63 1.461 -4.861 -6.576 1.00 0.00 C ATOM 1057 CD LYS A 63 2.136 -5.735 -7.612 1.00 0.00 C ATOM 1058 CE LYS A 63 1.261 -5.872 -8.839 1.00 0.00 C ATOM 1059 NZ LYS A 63 -0.046 -6.482 -8.502 1.00 0.00 N ATOM 0 H LYS A 63 0.211 -6.250 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 63 2.947 -6.879 -5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.695 -4.167 -4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.203 -4.471 -5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.441 -5.211 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.393 -3.841 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.098 -5.304 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.338 -6.720 -7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.102 -4.891 -9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.769 -6.484 -9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.533 -6.765 -9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.106 -7.319 -7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.630 -5.791 -7.989 1.00 0.00 H new ATOM 1073 N LEU A 64 2.057 -5.410 -2.333 1.00 0.00 N ATOM 1074 CA LEU A 64 2.438 -5.070 -0.962 1.00 0.00 C ATOM 1075 C LEU A 64 2.934 -6.295 -0.190 1.00 0.00 C ATOM 1076 O LEU A 64 4.037 -6.284 0.403 1.00 0.00 O ATOM 1077 CB LEU A 64 1.241 -4.456 -0.209 1.00 0.00 C ATOM 1078 CG LEU A 64 0.596 -3.187 -0.800 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.513 -2.684 0.108 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.623 -2.088 -1.052 1.00 0.00 C ATOM 0 H LEU A 64 1.115 -5.107 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 64 3.251 -4.346 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.467 -5.220 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.566 -4.225 0.806 1.00 0.00 H new ATOM 0 HG LEU A 64 0.168 -3.457 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.958 -1.788 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.277 -3.455 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.101 -2.448 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.124 -1.213 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.105 -1.818 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.374 -2.447 -1.756 1.00 0.00 H new ATOM 1092 N THR A 65 2.147 -7.347 -0.243 1.00 0.00 N ATOM 1093 CA THR A 65 2.413 -8.557 0.477 1.00 0.00 C ATOM 1094 C THR A 65 3.750 -9.181 0.066 1.00 0.00 C ATOM 1095 O THR A 65 4.640 -9.377 0.903 1.00 0.00 O ATOM 1096 CB THR A 65 1.252 -9.573 0.293 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.020 -8.975 0.738 1.00 0.00 O ATOM 1098 CG2 THR A 65 1.497 -10.851 1.076 1.00 0.00 C ATOM 0 H THR A 65 1.292 -7.379 -0.799 1.00 0.00 H new ATOM 0 HA THR A 65 2.484 -8.299 1.534 1.00 0.00 H new ATOM 0 HB THR A 65 1.193 -9.828 -0.765 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.330 -8.387 0.037 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.664 -11.537 0.923 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.420 -11.318 0.731 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.583 -10.617 2.137 1.00 0.00 H new ATOM 1106 N ARG A 66 3.936 -9.418 -1.204 1.00 0.00 N ATOM 1107 CA ARG A 66 5.125 -10.132 -1.619 1.00 0.00 C ATOM 1108 C ARG A 66 6.378 -9.263 -1.617 1.00 0.00 C ATOM 1109 O ARG A 66 7.491 -9.770 -1.440 1.00 0.00 O ATOM 1110 CB ARG A 66 4.880 -10.859 -2.926 1.00 0.00 C ATOM 1111 CG ARG A 66 3.743 -11.849 -2.772 1.00 0.00 C ATOM 1112 CD ARG A 66 3.362 -12.521 -4.057 1.00 0.00 C ATOM 1113 NE ARG A 66 2.107 -13.260 -3.883 1.00 0.00 N ATOM 1114 CZ ARG A 66 1.007 -13.036 -4.598 1.00 0.00 C ATOM 1115 NH1 ARG A 66 1.071 -12.261 -5.665 1.00 0.00 N ATOM 1116 NH2 ARG A 66 -0.135 -13.620 -4.259 1.00 0.00 N ATOM 0 H ARG A 66 3.304 -9.139 -1.954 1.00 0.00 H new ATOM 0 HA ARG A 66 5.336 -10.894 -0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.642 -10.141 -3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.786 -11.380 -3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.028 -12.608 -2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.872 -11.332 -2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.250 -11.778 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.154 -13.201 -4.370 1.00 0.00 H new ATOM 0 HE ARG A 66 2.075 -13.990 -3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.959 -11.839 -5.936 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.232 -12.085 -6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.170 -14.241 -3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.978 -13.448 -4.807 1.00 0.00 H new ATOM 1130 N PHE A 67 6.206 -7.959 -1.735 1.00 0.00 N ATOM 1131 CA PHE A 67 7.342 -7.074 -1.732 1.00 0.00 C ATOM 1132 C PHE A 67 7.913 -6.915 -0.327 1.00 0.00 C ATOM 1133 O PHE A 67 9.096 -7.198 -0.107 1.00 0.00 O ATOM 1134 CB PHE A 67 7.003 -5.698 -2.322 1.00 0.00 C ATOM 1135 CG PHE A 67 8.215 -4.807 -2.529 1.00 0.00 C ATOM 1136 CD1 PHE A 67 8.942 -4.891 -3.701 1.00 0.00 C ATOM 1137 CD2 PHE A 67 8.624 -3.887 -1.557 1.00 0.00 C ATOM 1138 CE1 PHE A 67 10.043 -4.091 -3.910 1.00 0.00 C ATOM 1139 CE2 PHE A 67 9.727 -3.086 -1.767 1.00 0.00 C ATOM 1140 CZ PHE A 67 10.435 -3.187 -2.945 1.00 0.00 C ATOM 0 H PHE A 67 5.301 -7.500 -1.833 1.00 0.00 H new ATOM 0 HA PHE A 67 8.098 -7.534 -2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.498 -5.837 -3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.300 -5.192 -1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.642 -5.594 -4.464 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.071 -3.803 -0.633 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.601 -4.172 -4.831 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.035 -2.381 -1.009 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.297 -2.558 -3.113 1.00 0.00 H new ATOM 1150 N PHE A 68 7.090 -6.494 0.622 1.00 0.00 N ATOM 1151 CA PHE A 68 7.611 -6.171 1.946 1.00 0.00 C ATOM 1152 C PHE A 68 7.037 -6.993 3.102 1.00 0.00 C ATOM 1153 O PHE A 68 7.637 -7.050 4.172 1.00 0.00 O ATOM 1154 CB PHE A 68 7.477 -4.677 2.239 1.00 0.00 C ATOM 1155 CG PHE A 68 6.077 -4.149 2.125 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.129 -4.446 3.081 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.718 -3.346 1.068 1.00 0.00 C ATOM 1158 CE1 PHE A 68 3.862 -3.961 2.983 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.448 -2.854 0.969 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.518 -3.163 1.930 1.00 0.00 C ATOM 0 H PHE A 68 6.084 -6.370 0.508 1.00 0.00 H new ATOM 0 HA PHE A 68 8.663 -6.452 1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.846 -4.482 3.246 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.118 -4.125 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.396 -5.072 3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.447 -3.102 0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.129 -4.207 3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.176 -2.223 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.513 -2.775 1.853 1.00 0.00 H new ATOM 1170 N LEU A 69 5.874 -7.585 2.933 1.00 0.00 N ATOM 1171 CA LEU A 69 5.290 -8.342 4.033 1.00 0.00 C ATOM 1172 C LEU A 69 6.095 -9.641 4.161 1.00 0.00 C ATOM 1173 O LEU A 69 6.385 -10.116 5.259 1.00 0.00 O ATOM 1174 CB LEU A 69 3.789 -8.594 3.765 1.00 0.00 C ATOM 1175 CG LEU A 69 2.828 -8.730 4.973 1.00 0.00 C ATOM 1176 CD1 LEU A 69 3.202 -9.869 5.900 1.00 0.00 C ATOM 1177 CD2 LEU A 69 2.720 -7.413 5.738 1.00 0.00 C ATOM 0 H LEU A 69 5.324 -7.563 2.074 1.00 0.00 H new ATOM 0 HA LEU A 69 5.341 -7.795 4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.423 -7.777 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.708 -9.506 3.174 1.00 0.00 H new ATOM 0 HG LEU A 69 1.848 -8.975 4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.493 -9.914 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.177 -10.809 5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.206 -9.704 6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.040 -7.536 6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.705 -7.124 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.339 -6.637 5.074 1.00 0.00 H new