USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 568 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 11 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN : amide:sc= -3.72! C(o=-3.7!,f=-9.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 16:sc= 0.311 USER MOD Single : A 15 HIS : no HD1:sc= -1.91 X(o=-1.9,f=-2.4!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -1.8 F(o=-2.9!,f=-1.8) USER MOD Single : A 70 ASN :FLIP amide:sc= 0.0819 F(o=-1.8!,f=0.082) USER MOD Single : A 75 SER OG : rot -160:sc= -0.434! USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -3.58 F(o=-5.4!,f=-3.6) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -89:sc= 1.07 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -13.354 -6.310 -0.337 1.00 0.00 N ATOM 67 CA LYS A 8 -13.394 -5.333 -1.411 1.00 0.00 C ATOM 68 C LYS A 8 -11.975 -4.837 -1.696 1.00 0.00 C ATOM 69 O LYS A 8 -11.113 -4.875 -0.820 1.00 0.00 O ATOM 70 CB LYS A 8 -14.383 -4.214 -1.081 1.00 0.00 C ATOM 71 CG LYS A 8 -15.755 -4.494 -1.698 1.00 0.00 C ATOM 72 CD LYS A 8 -16.783 -4.835 -0.617 1.00 0.00 C ATOM 73 CE LYS A 8 -18.080 -5.356 -1.239 1.00 0.00 C ATOM 74 NZ LYS A 8 -18.367 -6.729 -0.766 1.00 0.00 N ATOM 0 HA LYS A 8 -13.762 -5.791 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.480 -4.117 0.000 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.000 -3.264 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.089 -3.622 -2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.678 -5.320 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.371 -5.586 0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.993 -3.949 -0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.906 -4.695 -0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.997 -5.349 -2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.251 -7.067 -1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.586 -7.360 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.467 -6.726 0.269 1.00 0.00 H new ATOM 88 N SER A 9 -11.777 -4.382 -2.925 1.00 0.00 N ATOM 89 CA SER A 9 -10.478 -3.879 -3.336 1.00 0.00 C ATOM 90 C SER A 9 -10.586 -2.401 -3.718 1.00 0.00 C ATOM 91 O SER A 9 -11.409 -2.032 -4.554 1.00 0.00 O ATOM 92 CB SER A 9 -9.917 -4.690 -4.506 1.00 0.00 C ATOM 93 OG SER A 9 -10.663 -4.486 -5.703 1.00 0.00 O ATOM 0 H SER A 9 -12.495 -4.351 -3.649 1.00 0.00 H new ATOM 0 HA SER A 9 -9.791 -3.982 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.877 -4.411 -4.675 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.925 -5.749 -4.250 1.00 0.00 H new ATOM 0 HG SER A 9 -11.219 -3.685 -5.609 1.00 0.00 H new ATOM 99 N LEU A 10 -9.743 -1.596 -3.088 1.00 0.00 N ATOM 100 CA LEU A 10 -9.734 -0.168 -3.351 1.00 0.00 C ATOM 101 C LEU A 10 -8.359 0.239 -3.885 1.00 0.00 C ATOM 102 O LEU A 10 -7.368 -0.449 -3.648 1.00 0.00 O ATOM 103 CB LEU A 10 -10.164 0.610 -2.106 1.00 0.00 C ATOM 104 CG LEU A 10 -11.017 -0.160 -1.096 1.00 0.00 C ATOM 105 CD1 LEU A 10 -12.113 -0.962 -1.801 1.00 0.00 C ATOM 106 CD2 LEU A 10 -10.144 -1.045 -0.203 1.00 0.00 C ATOM 0 H LEU A 10 -9.061 -1.906 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.463 0.081 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.268 0.967 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.721 1.490 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.513 0.562 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.704 -1.500 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.759 -0.284 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.657 -1.675 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.775 -1.581 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.601 -1.761 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.433 -0.424 0.342 1.00 0.00 H new ATOM 118 N THR A 11 -8.343 1.356 -4.597 1.00 0.00 N ATOM 119 CA THR A 11 -7.107 1.863 -5.167 1.00 0.00 C ATOM 120 C THR A 11 -6.656 3.124 -4.428 1.00 0.00 C ATOM 121 O THR A 11 -7.480 3.958 -4.055 1.00 0.00 O ATOM 122 CB THR A 11 -7.332 2.085 -6.664 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.225 1.039 -7.040 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.074 1.814 -7.492 1.00 0.00 C ATOM 0 H THR A 11 -9.167 1.924 -4.792 1.00 0.00 H new ATOM 0 HA THR A 11 -6.295 1.146 -5.048 1.00 0.00 H new ATOM 0 HB THR A 11 -7.665 3.109 -6.832 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.426 1.108 -7.997 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.288 1.986 -8.547 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.276 2.483 -7.170 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.761 0.780 -7.350 1.00 0.00 H new ATOM 132 N LEU A 12 -5.349 3.224 -4.237 1.00 0.00 N ATOM 133 CA LEU A 12 -4.778 4.370 -3.549 1.00 0.00 C ATOM 134 C LEU A 12 -3.514 4.822 -4.282 1.00 0.00 C ATOM 135 O LEU A 12 -2.687 3.997 -4.668 1.00 0.00 O ATOM 136 CB LEU A 12 -4.550 4.047 -2.070 1.00 0.00 C ATOM 137 CG LEU A 12 -5.020 2.668 -1.605 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.863 1.667 -1.602 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.706 2.754 -0.240 1.00 0.00 C ATOM 0 H LEU A 12 -4.669 2.530 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.473 5.210 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.484 4.136 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.058 4.803 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.761 2.302 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.224 0.695 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.458 1.576 -2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.082 2.016 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.031 1.760 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.005 3.150 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.571 3.413 -0.309 1.00 0.00 H new ATOM 151 N VAL A 13 -3.403 6.132 -4.450 1.00 0.00 N ATOM 152 CA VAL A 13 -2.253 6.704 -5.130 1.00 0.00 C ATOM 153 C VAL A 13 -1.253 7.214 -4.091 1.00 0.00 C ATOM 154 O VAL A 13 -1.564 8.121 -3.319 1.00 0.00 O ATOM 155 CB VAL A 13 -2.709 7.791 -6.105 1.00 0.00 C ATOM 156 CG1 VAL A 13 -2.645 9.174 -5.454 1.00 0.00 C ATOM 157 CG2 VAL A 13 -1.885 7.753 -7.394 1.00 0.00 C ATOM 0 H VAL A 13 -4.090 6.813 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.745 5.945 -5.725 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.748 7.592 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.974 9.928 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.295 9.195 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.620 9.386 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.230 8.536 -8.069 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.833 7.914 -7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.004 6.782 -7.874 1.00 0.00 H new ATOM 167 N LEU A 14 -0.074 6.611 -4.104 1.00 0.00 N ATOM 168 CA LEU A 14 0.973 6.993 -3.172 1.00 0.00 C ATOM 169 C LEU A 14 2.071 7.745 -3.926 1.00 0.00 C ATOM 170 O LEU A 14 2.242 7.559 -5.129 1.00 0.00 O ATOM 171 CB LEU A 14 1.480 5.770 -2.405 1.00 0.00 C ATOM 172 CG LEU A 14 0.410 4.906 -1.736 1.00 0.00 C ATOM 173 CD1 LEU A 14 1.046 3.801 -0.890 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.559 5.765 -0.922 1.00 0.00 C ATOM 0 H LEU A 14 0.180 5.860 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 14 0.581 7.674 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.046 5.143 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.176 6.110 -1.638 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.172 4.418 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.263 3.202 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.661 3.164 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.668 4.249 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.309 5.126 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.009 6.300 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.050 6.482 -1.580 1.00 0.00 H new ATOM 186 N HIS A 15 2.787 8.580 -3.186 1.00 0.00 N ATOM 187 CA HIS A 15 3.864 9.361 -3.770 1.00 0.00 C ATOM 188 C HIS A 15 5.101 9.279 -2.874 1.00 0.00 C ATOM 189 O HIS A 15 5.078 8.620 -1.836 1.00 0.00 O ATOM 190 CB HIS A 15 3.413 10.801 -4.027 1.00 0.00 C ATOM 191 CG HIS A 15 2.372 10.933 -5.113 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.635 11.523 -6.337 1.00 0.00 N ATOM 193 CD2 HIS A 15 1.064 10.545 -5.146 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.529 11.487 -7.065 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.557 10.881 -6.325 1.00 0.00 N ATOM 0 H HIS A 15 2.642 8.732 -2.188 1.00 0.00 H new ATOM 0 HA HIS A 15 4.133 8.947 -4.742 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.013 11.216 -3.102 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.282 11.401 -4.296 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.532 10.049 -4.348 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.417 11.870 -8.068 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.402 10.714 -6.628 1.00 0.00 H new ATOM 268 N LEU A 21 7.925 6.799 1.499 1.00 0.00 N ATOM 269 CA LEU A 21 6.554 6.657 1.040 1.00 0.00 C ATOM 270 C LEU A 21 5.614 7.335 2.039 1.00 0.00 C ATOM 271 O LEU A 21 4.603 7.917 1.649 1.00 0.00 O ATOM 272 CB LEU A 21 6.223 5.184 0.788 1.00 0.00 C ATOM 273 CG LEU A 21 6.649 4.624 -0.571 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.966 5.379 -1.713 1.00 0.00 C ATOM 275 CD2 LEU A 21 8.172 4.627 -0.712 1.00 0.00 C ATOM 0 HA LEU A 21 6.419 7.159 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.695 4.587 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.146 5.051 0.892 1.00 0.00 H new ATOM 0 HG LEU A 21 6.322 3.586 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.286 4.961 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.885 5.281 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.240 6.433 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.448 4.224 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.544 5.648 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.611 4.011 0.073 1.00 0.00 H new ATOM 287 N GLY A 22 5.981 7.239 3.308 1.00 0.00 N ATOM 288 CA GLY A 22 5.184 7.836 4.366 1.00 0.00 C ATOM 289 C GLY A 22 4.424 6.765 5.151 1.00 0.00 C ATOM 290 O GLY A 22 3.328 7.017 5.650 1.00 0.00 O ATOM 0 H GLY A 22 6.821 6.756 3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.831 8.396 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.478 8.547 3.937 1.00 0.00 H new ATOM 294 N PHE A 23 5.035 5.593 5.235 1.00 0.00 N ATOM 295 CA PHE A 23 4.430 4.483 5.951 1.00 0.00 C ATOM 296 C PHE A 23 5.401 3.305 6.059 1.00 0.00 C ATOM 297 O PHE A 23 6.523 3.374 5.561 1.00 0.00 O ATOM 298 CB PHE A 23 3.204 4.046 5.146 1.00 0.00 C ATOM 299 CG PHE A 23 3.532 3.143 3.955 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.527 3.486 3.095 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.827 1.996 3.758 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.831 2.647 1.990 1.00 0.00 C ATOM 303 CE2 PHE A 23 3.131 1.158 2.653 1.00 0.00 C ATOM 304 CZ PHE A 23 4.126 1.501 1.792 1.00 0.00 C ATOM 0 H PHE A 23 5.943 5.388 4.819 1.00 0.00 H new ATOM 0 HA PHE A 23 4.164 4.793 6.961 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.515 3.521 5.808 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.684 4.933 4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.086 4.396 3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.037 1.723 4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.622 2.919 1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.572 0.248 2.496 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.356 0.864 0.951 1.00 0.00 H new ATOM 314 N ASN A 24 4.933 2.252 6.712 1.00 0.00 N ATOM 315 CA ASN A 24 5.746 1.061 6.892 1.00 0.00 C ATOM 316 C ASN A 24 4.909 -0.177 6.562 1.00 0.00 C ATOM 317 O ASN A 24 3.680 -0.129 6.603 1.00 0.00 O ATOM 318 CB ASN A 24 6.226 0.935 8.339 1.00 0.00 C ATOM 319 CG ASN A 24 7.577 1.627 8.530 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.633 1.033 8.389 1.00 0.00 O ATOM 321 ND2 ASN A 24 7.485 2.912 8.860 1.00 0.00 N ATOM 0 H ASN A 24 4.001 2.198 7.123 1.00 0.00 H new ATOM 0 HA ASN A 24 6.609 1.139 6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.489 1.376 9.010 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.311 -0.118 8.607 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.331 3.462 9.011 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.569 3.348 8.962 1.00 0.00 H new ATOM 328 N ILE A 25 5.607 -1.256 6.242 1.00 0.00 N ATOM 329 CA ILE A 25 4.944 -2.504 5.905 1.00 0.00 C ATOM 330 C ILE A 25 5.470 -3.617 6.813 1.00 0.00 C ATOM 331 O ILE A 25 6.545 -3.491 7.397 1.00 0.00 O ATOM 332 CB ILE A 25 5.096 -2.806 4.412 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.504 -2.461 3.924 1.00 0.00 C ATOM 334 CG2 ILE A 25 4.015 -2.093 3.597 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.952 -3.422 2.820 1.00 0.00 C ATOM 0 H ILE A 25 6.626 -1.292 6.209 1.00 0.00 H new ATOM 0 HA ILE A 25 3.872 -2.425 6.084 1.00 0.00 H new ATOM 0 HB ILE A 25 4.958 -3.877 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.523 -1.437 3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.204 -2.508 4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.145 -2.324 2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.031 -2.430 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.098 -1.016 3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.956 -3.155 2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.956 -4.442 3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.264 -3.354 1.977 1.00 0.00 H new ATOM 347 N ILE A 26 4.687 -4.683 6.904 1.00 0.00 N ATOM 348 CA ILE A 26 5.060 -5.817 7.732 1.00 0.00 C ATOM 349 C ILE A 26 4.879 -7.108 6.931 1.00 0.00 C ATOM 350 O ILE A 26 4.221 -7.111 5.892 1.00 0.00 O ATOM 351 CB ILE A 26 4.284 -5.797 9.050 1.00 0.00 C ATOM 352 CG1 ILE A 26 2.923 -6.479 8.896 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.152 -4.370 9.587 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.253 -6.679 10.256 1.00 0.00 C ATOM 0 H ILE A 26 3.796 -4.785 6.418 1.00 0.00 H new ATOM 0 HA ILE A 26 6.113 -5.757 8.009 1.00 0.00 H new ATOM 0 HB ILE A 26 4.849 -6.368 9.787 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.280 -5.875 8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.049 -7.443 8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.596 -4.384 10.525 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.144 -3.953 9.759 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.621 -3.755 8.860 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.287 -7.166 10.118 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.887 -7.303 10.886 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.106 -5.711 10.735 1.00 0.00 H new ATOM 555 N GLY A 42 2.894 -12.195 3.288 1.00 0.00 N ATOM 556 CA GLY A 42 1.949 -11.138 2.971 1.00 0.00 C ATOM 557 C GLY A 42 2.509 -9.768 3.359 1.00 0.00 C ATOM 558 O GLY A 42 3.342 -9.666 4.259 1.00 0.00 O ATOM 0 HA2 GLY A 42 1.724 -11.154 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.011 -11.314 3.497 1.00 0.00 H new ATOM 562 N ILE A 43 2.029 -8.749 2.662 1.00 0.00 N ATOM 563 CA ILE A 43 2.471 -7.389 2.923 1.00 0.00 C ATOM 564 C ILE A 43 1.304 -6.578 3.488 1.00 0.00 C ATOM 565 O ILE A 43 0.273 -6.427 2.833 1.00 0.00 O ATOM 566 CB ILE A 43 3.094 -6.778 1.666 1.00 0.00 C ATOM 567 CG1 ILE A 43 4.110 -7.733 1.038 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.705 -5.408 1.968 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.156 -8.174 2.064 1.00 0.00 C ATOM 0 H ILE A 43 1.338 -8.837 1.917 1.00 0.00 H new ATOM 0 HA ILE A 43 3.259 -7.382 3.677 1.00 0.00 H new ATOM 0 HB ILE A 43 2.302 -6.623 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.595 -8.607 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.603 -7.244 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.141 -4.996 1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.929 -4.736 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.481 -5.515 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.866 -8.852 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.686 -7.300 2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.662 -8.684 2.891 1.00 0.00 H new ATOM 581 N PHE A 44 1.504 -6.076 4.697 1.00 0.00 N ATOM 582 CA PHE A 44 0.481 -5.283 5.358 1.00 0.00 C ATOM 583 C PHE A 44 1.070 -3.990 5.926 1.00 0.00 C ATOM 584 O PHE A 44 2.285 -3.871 6.075 1.00 0.00 O ATOM 585 CB PHE A 44 -0.067 -6.129 6.509 1.00 0.00 C ATOM 586 CG PHE A 44 -0.875 -7.347 6.057 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.237 -8.432 5.539 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.230 -7.345 6.172 1.00 0.00 C ATOM 589 CE1 PHE A 44 -0.987 -9.562 5.119 1.00 0.00 C ATOM 590 CE2 PHE A 44 -2.979 -8.476 5.752 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.342 -9.560 5.235 1.00 0.00 C ATOM 0 H PHE A 44 2.360 -6.203 5.237 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.298 -5.013 4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.765 -6.467 7.126 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.697 -5.502 7.139 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.839 -8.433 5.448 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.736 -6.484 6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.481 -10.423 4.707 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.055 -8.475 5.843 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.912 -10.420 4.916 1.00 0.00 H new ATOM 601 N VAL A 45 0.181 -3.055 6.226 1.00 0.00 N ATOM 602 CA VAL A 45 0.598 -1.775 6.775 1.00 0.00 C ATOM 603 C VAL A 45 0.391 -1.783 8.291 1.00 0.00 C ATOM 604 O VAL A 45 -0.728 -1.967 8.767 1.00 0.00 O ATOM 605 CB VAL A 45 -0.149 -0.638 6.075 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.221 0.716 6.683 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.117 -0.653 4.568 1.00 0.00 C ATOM 0 H VAL A 45 -0.826 -3.158 6.100 1.00 0.00 H new ATOM 0 HA VAL A 45 1.660 -1.609 6.593 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.217 -0.794 6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.323 1.507 6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.042 0.724 7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.293 0.883 6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.426 0.165 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.185 -0.533 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.219 -1.602 4.149 1.00 0.00 H new ATOM 617 N SER A 46 1.487 -1.581 9.007 1.00 0.00 N ATOM 618 CA SER A 46 1.440 -1.562 10.459 1.00 0.00 C ATOM 619 C SER A 46 1.628 -0.133 10.970 1.00 0.00 C ATOM 620 O SER A 46 1.288 0.172 12.112 1.00 0.00 O ATOM 621 CB SER A 46 2.504 -2.484 11.056 1.00 0.00 C ATOM 622 OG SER A 46 2.643 -2.298 12.462 1.00 0.00 O ATOM 0 H SER A 46 2.414 -1.429 8.608 1.00 0.00 H new ATOM 0 HA SER A 46 0.463 -1.928 10.775 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.240 -3.522 10.852 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.461 -2.296 10.569 1.00 0.00 H new ATOM 0 HG SER A 46 3.331 -2.906 12.806 1.00 0.00 H new ATOM 628 N LYS A 47 2.169 0.707 10.100 1.00 0.00 N ATOM 629 CA LYS A 47 2.407 2.097 10.449 1.00 0.00 C ATOM 630 C LYS A 47 2.128 2.979 9.230 1.00 0.00 C ATOM 631 O LYS A 47 2.168 2.507 8.095 1.00 0.00 O ATOM 632 CB LYS A 47 3.813 2.272 11.026 1.00 0.00 C ATOM 633 CG LYS A 47 3.805 3.250 12.202 1.00 0.00 C ATOM 634 CD LYS A 47 3.866 4.698 11.711 1.00 0.00 C ATOM 635 CE LYS A 47 5.041 5.444 12.348 1.00 0.00 C ATOM 636 NZ LYS A 47 4.704 5.859 13.728 1.00 0.00 N ATOM 0 H LYS A 47 2.450 0.451 9.153 1.00 0.00 H new ATOM 0 HA LYS A 47 1.723 2.414 11.236 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.198 1.306 11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.486 2.637 10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.904 3.102 12.797 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.655 3.047 12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.966 4.714 10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.933 5.207 11.953 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.923 4.803 12.360 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.291 6.320 11.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.512 6.364 14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.875 6.487 13.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.488 5.018 14.300 1.00 0.00 H new ATOM 650 N ILE A 48 1.852 4.245 9.507 1.00 0.00 N ATOM 651 CA ILE A 48 1.567 5.198 8.448 1.00 0.00 C ATOM 652 C ILE A 48 1.939 6.605 8.919 1.00 0.00 C ATOM 653 O ILE A 48 1.415 7.086 9.923 1.00 0.00 O ATOM 654 CB ILE A 48 0.114 5.068 7.987 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.111 3.747 7.248 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.304 6.275 7.145 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.485 3.722 6.576 1.00 0.00 C ATOM 0 H ILE A 48 1.820 4.633 10.450 1.00 0.00 H new ATOM 0 HA ILE A 48 2.176 4.984 7.570 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.525 5.055 8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.667 3.609 6.498 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.030 2.916 7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.341 6.157 6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.206 7.184 7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.336 6.345 6.266 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.619 2.772 6.058 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.262 3.836 7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.554 4.540 5.859 1.00 0.00 H new ATOM 669 N VAL A 49 2.841 7.225 8.173 1.00 0.00 N ATOM 670 CA VAL A 49 3.290 8.568 8.502 1.00 0.00 C ATOM 671 C VAL A 49 2.212 9.575 8.095 1.00 0.00 C ATOM 672 O VAL A 49 1.875 9.686 6.917 1.00 0.00 O ATOM 673 CB VAL A 49 4.644 8.843 7.846 1.00 0.00 C ATOM 674 CG1 VAL A 49 5.236 10.163 8.342 1.00 0.00 C ATOM 675 CG2 VAL A 49 5.614 7.684 8.082 1.00 0.00 C ATOM 0 H VAL A 49 3.273 6.823 7.342 1.00 0.00 H new ATOM 0 HA VAL A 49 3.439 8.668 9.577 1.00 0.00 H new ATOM 0 HB VAL A 49 4.483 8.931 6.772 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.198 10.334 7.860 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.558 10.980 8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.375 10.117 9.422 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.569 7.906 7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.766 7.549 9.153 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.199 6.770 7.657 1.00 0.00 H new ATOM 685 N ASP A 50 1.702 10.283 9.092 1.00 0.00 N ATOM 686 CA ASP A 50 0.670 11.277 8.853 1.00 0.00 C ATOM 687 C ASP A 50 1.194 12.323 7.868 1.00 0.00 C ATOM 688 O ASP A 50 0.651 12.480 6.775 1.00 0.00 O ATOM 689 CB ASP A 50 0.287 11.996 10.147 1.00 0.00 C ATOM 690 CG ASP A 50 -0.793 11.300 10.979 1.00 0.00 C ATOM 691 OD1 ASP A 50 -1.874 11.044 10.405 1.00 0.00 O ATOM 692 OD2 ASP A 50 -0.514 11.041 12.169 1.00 0.00 O ATOM 0 H ASP A 50 1.985 10.188 10.067 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.205 10.765 8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.181 12.108 10.761 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.058 13.000 9.899 1.00 0.00 H new ATOM 697 N SER A 51 2.244 13.013 8.290 1.00 0.00 N ATOM 698 CA SER A 51 2.848 14.040 7.458 1.00 0.00 C ATOM 699 C SER A 51 3.263 13.446 6.111 1.00 0.00 C ATOM 700 O SER A 51 3.493 14.179 5.150 1.00 0.00 O ATOM 701 CB SER A 51 4.055 14.672 8.154 1.00 0.00 C ATOM 702 OG SER A 51 4.100 16.084 7.968 1.00 0.00 O ATOM 0 H SER A 51 2.692 12.881 9.197 1.00 0.00 H new ATOM 0 HA SER A 51 2.108 14.823 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.017 14.448 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.971 14.226 7.767 1.00 0.00 H new ATOM 0 HG SER A 51 4.884 16.450 8.429 1.00 0.00 H new ATOM 708 N GLY A 52 3.345 12.124 6.083 1.00 0.00 N ATOM 709 CA GLY A 52 3.728 11.423 4.870 1.00 0.00 C ATOM 710 C GLY A 52 2.646 11.554 3.796 1.00 0.00 C ATOM 711 O GLY A 52 1.479 11.785 4.111 1.00 0.00 O ATOM 0 H GLY A 52 3.152 11.520 6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.669 11.826 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.899 10.370 5.093 1.00 0.00 H new ATOM 715 N PRO A 53 3.082 11.397 2.518 1.00 0.00 N ATOM 716 CA PRO A 53 2.164 11.496 1.396 1.00 0.00 C ATOM 717 C PRO A 53 1.293 10.243 1.289 1.00 0.00 C ATOM 718 O PRO A 53 0.422 10.160 0.424 1.00 0.00 O ATOM 719 CB PRO A 53 3.050 11.709 0.180 1.00 0.00 C ATOM 720 CG PRO A 53 4.442 11.259 0.594 1.00 0.00 C ATOM 721 CD PRO A 53 4.457 11.123 2.108 1.00 0.00 C ATOM 0 HA PRO A 53 1.455 12.317 1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.690 11.131 -0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.052 12.756 -0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.692 10.308 0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.190 11.982 0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.770 10.124 2.413 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.154 11.828 2.562 1.00 0.00 H new ATOM 729 N ALA A 54 1.558 9.299 2.180 1.00 0.00 N ATOM 730 CA ALA A 54 0.810 8.054 2.196 1.00 0.00 C ATOM 731 C ALA A 54 -0.470 8.244 3.013 1.00 0.00 C ATOM 732 O ALA A 54 -1.506 7.662 2.694 1.00 0.00 O ATOM 733 CB ALA A 54 1.693 6.934 2.750 1.00 0.00 C ATOM 0 H ALA A 54 2.281 9.372 2.896 1.00 0.00 H new ATOM 0 HA ALA A 54 0.518 7.769 1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.131 6.000 2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.574 6.820 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.003 7.184 3.765 1.00 0.00 H new ATOM 739 N ALA A 55 -0.357 9.061 4.049 1.00 0.00 N ATOM 740 CA ALA A 55 -1.492 9.336 4.914 1.00 0.00 C ATOM 741 C ALA A 55 -2.226 10.579 4.406 1.00 0.00 C ATOM 742 O ALA A 55 -3.433 10.713 4.598 1.00 0.00 O ATOM 743 CB ALA A 55 -1.009 9.493 6.357 1.00 0.00 C ATOM 0 H ALA A 55 0.504 9.542 4.310 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.198 8.506 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.861 9.699 7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.522 8.573 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.300 10.319 6.416 1.00 0.00 H new ATOM 749 N LYS A 56 -1.465 11.456 3.767 1.00 0.00 N ATOM 750 CA LYS A 56 -2.028 12.683 3.230 1.00 0.00 C ATOM 751 C LYS A 56 -3.027 12.339 2.123 1.00 0.00 C ATOM 752 O LYS A 56 -4.230 12.269 2.368 1.00 0.00 O ATOM 753 CB LYS A 56 -0.914 13.631 2.781 1.00 0.00 C ATOM 754 CG LYS A 56 -0.188 14.234 3.985 1.00 0.00 C ATOM 755 CD LYS A 56 -1.071 15.258 4.701 1.00 0.00 C ATOM 756 CE LYS A 56 -0.224 16.233 5.522 1.00 0.00 C ATOM 757 NZ LYS A 56 -1.059 17.343 6.032 1.00 0.00 N ATOM 0 H LYS A 56 -0.464 11.341 3.609 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.580 13.219 4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.203 13.091 2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.335 14.429 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.093 13.442 4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.735 14.711 3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.661 15.810 3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.775 14.743 5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.241 15.707 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.583 16.630 4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.469 17.995 6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.482 17.855 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.814 16.960 6.636 1.00 0.00 H new ATOM 771 N GLU A 57 -2.490 12.135 0.929 1.00 0.00 N ATOM 772 CA GLU A 57 -3.320 11.801 -0.217 1.00 0.00 C ATOM 773 C GLU A 57 -3.231 10.303 -0.517 1.00 0.00 C ATOM 774 O GLU A 57 -4.108 9.745 -1.174 1.00 0.00 O ATOM 775 CB GLU A 57 -2.925 12.630 -1.440 1.00 0.00 C ATOM 776 CG GLU A 57 -1.441 12.452 -1.767 1.00 0.00 C ATOM 777 CD GLU A 57 -1.098 13.081 -3.119 1.00 0.00 C ATOM 778 OE1 GLU A 57 -0.888 14.313 -3.135 1.00 0.00 O ATOM 779 OE2 GLU A 57 -1.054 12.315 -4.107 1.00 0.00 O ATOM 0 H GLU A 57 -1.491 12.194 0.730 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.355 12.043 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.528 12.331 -2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.136 13.683 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.835 12.910 -0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.193 11.391 -1.782 1.00 0.00 H new ATOM 786 N GLY A 58 -2.164 9.695 -0.021 1.00 0.00 N ATOM 787 CA GLY A 58 -1.949 8.273 -0.228 1.00 0.00 C ATOM 788 C GLY A 58 -3.279 7.517 -0.265 1.00 0.00 C ATOM 789 O GLY A 58 -3.600 6.866 -1.258 1.00 0.00 O ATOM 0 H GLY A 58 -1.439 10.161 0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.411 8.115 -1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.323 7.876 0.571 1.00 0.00 H new ATOM 793 N GLY A 59 -4.017 7.629 0.829 1.00 0.00 N ATOM 794 CA GLY A 59 -5.305 6.965 0.934 1.00 0.00 C ATOM 795 C GLY A 59 -5.182 5.648 1.704 1.00 0.00 C ATOM 796 O GLY A 59 -6.187 5.059 2.098 1.00 0.00 O ATOM 0 H GLY A 59 -3.748 8.170 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.016 7.620 1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.701 6.772 -0.063 1.00 0.00 H new ATOM 800 N LEU A 60 -3.941 5.225 1.894 1.00 0.00 N ATOM 801 CA LEU A 60 -3.673 3.989 2.609 1.00 0.00 C ATOM 802 C LEU A 60 -4.450 3.988 3.927 1.00 0.00 C ATOM 803 O LEU A 60 -5.079 4.984 4.281 1.00 0.00 O ATOM 804 CB LEU A 60 -2.166 3.787 2.784 1.00 0.00 C ATOM 805 CG LEU A 60 -1.702 2.343 2.984 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.536 1.377 2.141 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.205 2.204 2.701 1.00 0.00 C ATOM 0 H LEU A 60 -3.110 5.716 1.565 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.022 3.132 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.661 4.192 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.838 4.375 3.641 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.859 2.076 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.185 0.358 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.584 1.451 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.434 1.633 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.099 1.168 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.001 2.497 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.355 2.848 3.379 1.00 0.00 H new ATOM 819 N GLN A 61 -4.382 2.859 4.617 1.00 0.00 N ATOM 820 CA GLN A 61 -5.072 2.715 5.887 1.00 0.00 C ATOM 821 C GLN A 61 -4.350 1.696 6.771 1.00 0.00 C ATOM 822 O GLN A 61 -4.229 0.528 6.405 1.00 0.00 O ATOM 823 CB GLN A 61 -6.534 2.319 5.676 1.00 0.00 C ATOM 824 CG GLN A 61 -7.478 3.388 6.230 1.00 0.00 C ATOM 825 CD GLN A 61 -8.907 3.173 5.727 1.00 0.00 C ATOM 826 OE1 GLN A 61 -9.338 3.744 4.739 1.00 0.00 O ATOM 827 NE2 GLN A 61 -9.615 2.318 6.460 1.00 0.00 N ATOM 0 H GLN A 61 -3.859 2.035 4.320 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.061 3.680 6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.726 2.176 4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.731 1.366 6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.464 3.361 7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.129 4.376 5.932 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.193 1.874 7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.580 2.106 6.206 1.00 0.00 H new ATOM 836 N ILE A 62 -3.890 2.175 7.917 1.00 0.00 N ATOM 837 CA ILE A 62 -3.183 1.321 8.856 1.00 0.00 C ATOM 838 C ILE A 62 -3.868 -0.047 8.909 1.00 0.00 C ATOM 839 O ILE A 62 -5.095 -0.129 8.943 1.00 0.00 O ATOM 840 CB ILE A 62 -3.067 2.004 10.220 1.00 0.00 C ATOM 841 CG1 ILE A 62 -2.005 3.105 10.193 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.802 0.979 11.326 1.00 0.00 C ATOM 843 CD1 ILE A 62 -0.643 2.564 10.630 1.00 0.00 C ATOM 0 H ILE A 62 -3.993 3.144 8.217 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.159 1.153 8.522 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.021 2.482 10.445 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.930 3.518 9.187 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.305 3.920 10.851 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.724 1.491 12.285 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.623 0.263 11.363 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.870 0.453 11.119 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.094 3.367 10.602 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.715 2.173 11.645 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.335 1.765 9.955 1.00 0.00 H new ATOM 855 N HIS A 63 -3.045 -1.085 8.916 1.00 0.00 N ATOM 856 CA HIS A 63 -3.556 -2.444 8.964 1.00 0.00 C ATOM 857 C HIS A 63 -4.293 -2.763 7.662 1.00 0.00 C ATOM 858 O HIS A 63 -5.449 -3.183 7.684 1.00 0.00 O ATOM 859 CB HIS A 63 -4.428 -2.653 10.204 1.00 0.00 C ATOM 860 CG HIS A 63 -3.721 -2.364 11.507 1.00 0.00 C ATOM 861 ND1 HIS A 63 -4.110 -1.629 12.588 1.00 0.00 N flip ATOM 862 CD2 HIS A 63 -2.462 -2.856 11.802 1.00 0.00 C flip ATOM 863 CE1 HIS A 63 -3.142 -1.671 13.495 1.00 0.00 C flip ATOM 864 NE2 HIS A 63 -2.118 -2.431 13.009 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.028 -1.012 8.889 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.726 -3.145 9.052 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.307 -2.013 10.130 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.784 -3.683 10.216 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.861 -3.481 11.158 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.161 -1.184 14.459 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.242 -2.636 13.490 1.00 0.00 H new ATOM 872 N ASP A 64 -3.594 -2.550 6.557 1.00 0.00 N ATOM 873 CA ASP A 64 -4.167 -2.809 5.247 1.00 0.00 C ATOM 874 C ASP A 64 -3.213 -3.696 4.444 1.00 0.00 C ATOM 875 O ASP A 64 -2.010 -3.443 4.403 1.00 0.00 O ATOM 876 CB ASP A 64 -4.371 -1.508 4.468 1.00 0.00 C ATOM 877 CG ASP A 64 -5.743 -0.855 4.648 1.00 0.00 C ATOM 878 OD1 ASP A 64 -6.550 -1.432 5.407 1.00 0.00 O ATOM 879 OD2 ASP A 64 -5.952 0.206 4.021 1.00 0.00 O ATOM 0 H ASP A 64 -2.636 -2.201 6.542 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.130 -3.298 5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.604 -0.796 4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.217 -1.709 3.408 1.00 0.00 H new ATOM 884 N ARG A 65 -3.786 -4.718 3.825 1.00 0.00 N ATOM 885 CA ARG A 65 -3.002 -5.644 3.026 1.00 0.00 C ATOM 886 C ARG A 65 -2.862 -5.123 1.594 1.00 0.00 C ATOM 887 O ARG A 65 -3.855 -4.981 0.882 1.00 0.00 O ATOM 888 CB ARG A 65 -3.649 -7.030 2.996 1.00 0.00 C ATOM 889 CG ARG A 65 -2.658 -8.088 2.506 1.00 0.00 C ATOM 890 CD ARG A 65 -3.362 -9.421 2.246 1.00 0.00 C ATOM 891 NE ARG A 65 -3.160 -9.834 0.839 1.00 0.00 N ATOM 892 CZ ARG A 65 -3.918 -10.739 0.206 1.00 0.00 C ATOM 893 NH1 ARG A 65 -4.932 -11.332 0.850 1.00 0.00 N ATOM 894 NH2 ARG A 65 -3.661 -11.052 -1.072 1.00 0.00 N ATOM 0 H ARG A 65 -4.784 -4.925 3.861 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.017 -5.725 3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.002 -7.292 3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.521 -7.014 2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.175 -7.743 1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.872 -8.227 3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.971 -10.185 2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.427 -9.326 2.457 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.396 -9.403 0.319 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.127 -11.094 1.823 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.509 -12.021 0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.888 -10.601 -1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.238 -11.741 -1.554 1.00 0.00 H new ATOM 908 N ILE A 66 -1.621 -4.852 1.216 1.00 0.00 N ATOM 909 CA ILE A 66 -1.339 -4.349 -0.118 1.00 0.00 C ATOM 910 C ILE A 66 -1.522 -5.479 -1.133 1.00 0.00 C ATOM 911 O ILE A 66 -1.027 -6.587 -0.930 1.00 0.00 O ATOM 912 CB ILE A 66 0.046 -3.700 -0.163 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.390 -3.049 1.178 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.148 -2.708 -1.324 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.449 -1.958 1.002 1.00 0.00 C ATOM 0 H ILE A 66 -0.800 -4.971 1.810 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.044 -3.562 -0.386 1.00 0.00 H new ATOM 0 HB ILE A 66 0.785 -4.482 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.510 -2.620 1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.755 -3.807 1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.142 -2.260 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.024 -3.230 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.601 -1.926 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.676 -1.511 1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.355 -2.395 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.071 -1.190 0.327 1.00 0.00 H new ATOM 927 N ILE A 67 -2.233 -5.160 -2.204 1.00 0.00 N ATOM 928 CA ILE A 67 -2.487 -6.134 -3.252 1.00 0.00 C ATOM 929 C ILE A 67 -1.517 -5.896 -4.410 1.00 0.00 C ATOM 930 O ILE A 67 -0.855 -6.825 -4.871 1.00 0.00 O ATOM 931 CB ILE A 67 -3.960 -6.103 -3.667 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.853 -5.705 -2.490 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.384 -7.438 -4.283 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.902 -6.816 -1.439 1.00 0.00 C ATOM 0 H ILE A 67 -2.642 -4.240 -2.369 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.304 -7.144 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.083 -5.340 -4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.477 -4.788 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.860 -5.494 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.435 -7.389 -4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.777 -7.641 -5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.243 -8.236 -3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.543 -6.508 -0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.301 -7.725 -1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.896 -7.008 -1.065 1.00 0.00 H new ATOM 946 N GLU A 68 -1.462 -4.647 -4.848 1.00 0.00 N ATOM 947 CA GLU A 68 -0.584 -4.275 -5.944 1.00 0.00 C ATOM 948 C GLU A 68 -0.030 -2.866 -5.725 1.00 0.00 C ATOM 949 O GLU A 68 -0.650 -2.050 -5.044 1.00 0.00 O ATOM 950 CB GLU A 68 -1.309 -4.377 -7.287 1.00 0.00 C ATOM 951 CG GLU A 68 -0.591 -5.350 -8.225 1.00 0.00 C ATOM 952 CD GLU A 68 -1.334 -6.685 -8.305 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.357 -7.384 -7.269 1.00 0.00 O ATOM 954 OE2 GLU A 68 -1.863 -6.975 -9.399 1.00 0.00 O ATOM 0 H GLU A 68 -2.012 -3.879 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 68 0.252 -4.974 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.334 -4.711 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.363 -3.392 -7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.515 -4.912 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.427 -5.517 -7.872 1.00 0.00 H new ATOM 961 N VAL A 69 1.130 -2.622 -6.317 1.00 0.00 N ATOM 962 CA VAL A 69 1.774 -1.325 -6.195 1.00 0.00 C ATOM 963 C VAL A 69 2.395 -0.941 -7.540 1.00 0.00 C ATOM 964 O VAL A 69 3.306 -1.614 -8.022 1.00 0.00 O ATOM 965 CB VAL A 69 2.791 -1.351 -5.052 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.204 -1.605 -5.581 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.734 -0.056 -4.239 1.00 0.00 C ATOM 0 H VAL A 69 1.641 -3.300 -6.882 1.00 0.00 H new ATOM 0 HA VAL A 69 1.043 -0.557 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 69 2.529 -2.175 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.907 -1.619 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.233 -2.565 -6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.480 -0.812 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.466 -0.100 -3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.958 0.791 -4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.736 0.065 -3.817 1.00 0.00 H new ATOM 977 N ASN A 70 1.879 0.139 -8.108 1.00 0.00 N ATOM 978 CA ASN A 70 2.371 0.620 -9.387 1.00 0.00 C ATOM 979 C ASN A 70 2.193 -0.474 -10.442 1.00 0.00 C ATOM 980 O ASN A 70 2.798 -0.415 -11.511 1.00 0.00 O ATOM 981 CB ASN A 70 3.860 0.964 -9.310 1.00 0.00 C ATOM 982 CG ASN A 70 4.201 2.135 -10.233 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.452 3.273 -9.593 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.233 2.014 -11.447 1.00 0.00 N flip ATOM 0 H ASN A 70 1.124 0.695 -7.705 1.00 0.00 H new ATOM 0 HA ASN A 70 1.807 1.515 -9.650 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.126 1.216 -8.283 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.453 0.093 -9.588 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.030 1.111 -11.875 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.463 2.816 -12.034 1.00 0.00 H new ATOM 991 N GLY A 71 1.359 -1.447 -10.104 1.00 0.00 N ATOM 992 CA GLY A 71 1.094 -2.553 -11.008 1.00 0.00 C ATOM 993 C GLY A 71 1.907 -3.788 -10.617 1.00 0.00 C ATOM 994 O GLY A 71 1.798 -4.835 -11.255 1.00 0.00 O ATOM 0 H GLY A 71 0.858 -1.492 -9.217 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.031 -2.793 -10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.340 -2.260 -12.029 1.00 0.00 H new ATOM 998 N ARG A 72 2.704 -3.626 -9.571 1.00 0.00 N ATOM 999 CA ARG A 72 3.535 -4.716 -9.088 1.00 0.00 C ATOM 1000 C ARG A 72 2.817 -5.476 -7.971 1.00 0.00 C ATOM 1001 O ARG A 72 2.384 -4.878 -6.987 1.00 0.00 O ATOM 1002 CB ARG A 72 4.874 -4.195 -8.562 1.00 0.00 C ATOM 1003 CG ARG A 72 6.040 -4.764 -9.373 1.00 0.00 C ATOM 1004 CD ARG A 72 7.321 -4.804 -8.537 1.00 0.00 C ATOM 1005 NE ARG A 72 8.506 -4.783 -9.425 1.00 0.00 N ATOM 1006 CZ ARG A 72 9.717 -5.235 -9.072 1.00 0.00 C ATOM 1007 NH1 ARG A 72 9.911 -5.746 -7.849 1.00 0.00 N ATOM 1008 NH2 ARG A 72 10.734 -5.176 -9.943 1.00 0.00 N ATOM 0 H ARG A 72 2.792 -2.757 -9.045 1.00 0.00 H new ATOM 0 HA ARG A 72 3.723 -5.387 -9.926 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.889 -3.106 -8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.988 -4.469 -7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.793 -5.769 -9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.201 -4.155 -10.262 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.349 -3.951 -7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.335 -5.702 -7.920 1.00 0.00 H new ATOM 0 HE ARG A 72 8.393 -4.401 -10.364 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.137 -5.791 -7.186 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.833 -6.090 -7.580 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.586 -4.787 -10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.656 -5.520 -9.675 1.00 0.00 H new ATOM 1022 N ASP A 73 2.713 -6.783 -8.161 1.00 0.00 N ATOM 1023 CA ASP A 73 2.055 -7.631 -7.181 1.00 0.00 C ATOM 1024 C ASP A 73 3.008 -7.887 -6.012 1.00 0.00 C ATOM 1025 O ASP A 73 4.153 -8.288 -6.217 1.00 0.00 O ATOM 1026 CB ASP A 73 1.678 -8.984 -7.789 1.00 0.00 C ATOM 1027 CG ASP A 73 1.495 -10.118 -6.779 1.00 0.00 C ATOM 1028 OD1 ASP A 73 0.640 -9.947 -5.883 1.00 0.00 O ATOM 1029 OD2 ASP A 73 2.213 -11.130 -6.925 1.00 0.00 O ATOM 0 H ASP A 73 3.073 -7.275 -8.978 1.00 0.00 H new ATOM 0 HA ASP A 73 1.152 -7.121 -6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.752 -8.867 -8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.451 -9.273 -8.501 1.00 0.00 H new ATOM 1034 N LEU A 74 2.501 -7.645 -4.813 1.00 0.00 N ATOM 1035 CA LEU A 74 3.293 -7.845 -3.611 1.00 0.00 C ATOM 1036 C LEU A 74 2.466 -8.620 -2.583 1.00 0.00 C ATOM 1037 O LEU A 74 2.861 -8.737 -1.424 1.00 0.00 O ATOM 1038 CB LEU A 74 3.824 -6.508 -3.091 1.00 0.00 C ATOM 1039 CG LEU A 74 4.250 -5.495 -4.156 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.444 -4.106 -3.546 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.499 -5.974 -4.899 1.00 0.00 C ATOM 0 H LEU A 74 1.551 -7.312 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 74 4.174 -8.448 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.054 -6.050 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.679 -6.706 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 74 3.449 -5.414 -4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.747 -3.406 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.508 -3.770 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.216 -4.150 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.781 -5.236 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.317 -6.101 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.290 -6.926 -5.386 1.00 0.00 H new ATOM 1053 N SER A 75 1.333 -9.128 -3.045 1.00 0.00 N ATOM 1054 CA SER A 75 0.447 -9.889 -2.180 1.00 0.00 C ATOM 1055 C SER A 75 1.206 -11.058 -1.550 1.00 0.00 C ATOM 1056 O SER A 75 1.024 -11.358 -0.371 1.00 0.00 O ATOM 1057 CB SER A 75 -0.771 -10.401 -2.952 1.00 0.00 C ATOM 1058 OG SER A 75 -1.476 -11.406 -2.230 1.00 0.00 O ATOM 0 H SER A 75 1.008 -9.028 -4.007 1.00 0.00 H new ATOM 0 HA SER A 75 0.091 -9.228 -1.390 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.442 -9.569 -3.164 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.449 -10.803 -3.912 1.00 0.00 H new ATOM 0 HG SER A 75 -2.032 -11.924 -2.849 1.00 0.00 H new ATOM 1064 N ARG A 76 2.042 -11.686 -2.364 1.00 0.00 N ATOM 1065 CA ARG A 76 2.829 -12.816 -1.902 1.00 0.00 C ATOM 1066 C ARG A 76 4.316 -12.453 -1.879 1.00 0.00 C ATOM 1067 O ARG A 76 5.174 -13.334 -1.906 1.00 0.00 O ATOM 1068 CB ARG A 76 2.623 -14.036 -2.801 1.00 0.00 C ATOM 1069 CG ARG A 76 3.076 -13.745 -4.234 1.00 0.00 C ATOM 1070 CD ARG A 76 3.529 -15.025 -4.937 1.00 0.00 C ATOM 1071 NE ARG A 76 3.190 -14.960 -6.376 1.00 0.00 N ATOM 1072 CZ ARG A 76 3.295 -15.994 -7.221 1.00 0.00 C ATOM 1073 NH1 ARG A 76 3.731 -17.181 -6.776 1.00 0.00 N ATOM 1074 NH2 ARG A 76 2.964 -15.843 -8.511 1.00 0.00 N ATOM 0 H ARG A 76 2.191 -11.433 -3.341 1.00 0.00 H new ATOM 0 HA ARG A 76 2.495 -13.062 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.182 -14.883 -2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.571 -14.320 -2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.258 -13.289 -4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.894 -13.024 -4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.604 -15.156 -4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.048 -15.890 -4.480 1.00 0.00 H new ATOM 0 HE ARG A 76 2.855 -14.071 -6.748 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.983 -17.297 -5.794 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.811 -17.969 -7.419 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.632 -14.940 -8.850 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.044 -16.631 -9.154 1.00 0.00 H new ATOM 1088 N ALA A 77 4.574 -11.155 -1.829 1.00 0.00 N ATOM 1089 CA ALA A 77 5.942 -10.664 -1.802 1.00 0.00 C ATOM 1090 C ALA A 77 6.378 -10.461 -0.350 1.00 0.00 C ATOM 1091 O ALA A 77 5.580 -10.629 0.571 1.00 0.00 O ATOM 1092 CB ALA A 77 6.039 -9.378 -2.626 1.00 0.00 C ATOM 0 H ALA A 77 3.859 -10.428 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 77 6.620 -11.390 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.065 -9.010 -2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.747 -9.583 -3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.374 -8.624 -2.204 1.00 0.00 H new ATOM 1098 N THR A 78 7.644 -10.103 -0.190 1.00 0.00 N ATOM 1099 CA THR A 78 8.195 -9.876 1.134 1.00 0.00 C ATOM 1100 C THR A 78 8.546 -8.398 1.319 1.00 0.00 C ATOM 1101 O THR A 78 8.559 -7.634 0.356 1.00 0.00 O ATOM 1102 CB THR A 78 9.392 -10.812 1.315 1.00 0.00 C ATOM 1103 OG1 THR A 78 9.883 -10.500 2.616 1.00 0.00 O ATOM 1104 CG2 THR A 78 10.555 -10.462 0.384 1.00 0.00 C ATOM 0 H THR A 78 8.303 -9.965 -0.956 1.00 0.00 H new ATOM 0 HA THR A 78 7.465 -10.104 1.911 1.00 0.00 H new ATOM 0 HB THR A 78 9.079 -11.840 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.660 -11.063 2.816 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.378 -11.156 0.553 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.226 -10.535 -0.653 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.891 -9.445 0.587 1.00 0.00 H new ATOM 1112 N HIS A 79 8.823 -8.040 2.565 1.00 0.00 N ATOM 1113 CA HIS A 79 9.173 -6.667 2.888 1.00 0.00 C ATOM 1114 C HIS A 79 10.265 -6.178 1.934 1.00 0.00 C ATOM 1115 O HIS A 79 10.220 -5.042 1.465 1.00 0.00 O ATOM 1116 CB HIS A 79 9.571 -6.541 4.360 1.00 0.00 C ATOM 1117 CG HIS A 79 9.743 -5.116 4.830 1.00 0.00 C ATOM 1118 ND1 HIS A 79 8.832 -4.217 5.301 1.00 0.00 N flip ATOM 1119 CD2 HIS A 79 10.969 -4.474 4.843 1.00 0.00 C flip ATOM 1120 CE1 HIS A 79 9.467 -3.087 5.588 1.00 0.00 C flip ATOM 1121 NE2 HIS A 79 10.792 -3.244 5.304 1.00 0.00 N flip ATOM 0 H HIS A 79 8.812 -8.677 3.362 1.00 0.00 H new ATOM 0 HA HIS A 79 8.304 -6.023 2.750 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.812 -7.026 4.974 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.504 -7.081 4.521 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.910 -4.902 4.531 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.010 -2.191 5.981 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.519 -2.539 5.425 1.00 0.00 H new ATOM 1129 N ASP A 80 11.219 -7.059 1.676 1.00 0.00 N ATOM 1130 CA ASP A 80 12.321 -6.731 0.787 1.00 0.00 C ATOM 1131 C ASP A 80 11.763 -6.305 -0.572 1.00 0.00 C ATOM 1132 O ASP A 80 12.109 -5.241 -1.084 1.00 0.00 O ATOM 1133 CB ASP A 80 13.230 -7.941 0.567 1.00 0.00 C ATOM 1134 CG ASP A 80 14.711 -7.700 0.864 1.00 0.00 C ATOM 1135 OD1 ASP A 80 15.054 -7.682 2.066 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.468 -7.538 -0.118 1.00 0.00 O ATOM 0 H ASP A 80 11.252 -8.001 2.067 1.00 0.00 H new ATOM 0 HA ASP A 80 12.897 -5.927 1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.878 -8.760 1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.131 -8.267 -0.468 1.00 0.00 H new ATOM 1141 N GLN A 81 10.908 -7.157 -1.119 1.00 0.00 N ATOM 1142 CA GLN A 81 10.299 -6.882 -2.409 1.00 0.00 C ATOM 1143 C GLN A 81 9.380 -5.663 -2.313 1.00 0.00 C ATOM 1144 O GLN A 81 9.495 -4.730 -3.106 1.00 0.00 O ATOM 1145 CB GLN A 81 9.538 -8.104 -2.928 1.00 0.00 C ATOM 1146 CG GLN A 81 10.488 -9.099 -3.595 1.00 0.00 C ATOM 1147 CD GLN A 81 10.024 -9.432 -5.015 1.00 0.00 C ATOM 1148 OE1 GLN A 81 10.459 -8.845 -5.992 1.00 0.00 O ATOM 1149 NE2 GLN A 81 9.120 -10.405 -5.074 1.00 0.00 N ATOM 0 H GLN A 81 10.623 -8.038 -0.692 1.00 0.00 H new ATOM 0 HA GLN A 81 11.092 -6.659 -3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.017 -8.590 -2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.778 -7.787 -3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.495 -8.682 -3.626 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.539 -10.012 -3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.798 -10.855 -4.217 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.748 -10.702 -5.976 1.00 0.00 H new ATOM 1158 N ALA A 82 8.487 -5.710 -1.335 1.00 0.00 N ATOM 1159 CA ALA A 82 7.549 -4.621 -1.125 1.00 0.00 C ATOM 1160 C ALA A 82 8.313 -3.297 -1.073 1.00 0.00 C ATOM 1161 O ALA A 82 7.970 -2.350 -1.778 1.00 0.00 O ATOM 1162 CB ALA A 82 6.744 -4.879 0.151 1.00 0.00 C ATOM 0 H ALA A 82 8.394 -6.486 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 82 6.841 -4.561 -1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.040 -4.062 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.196 -5.816 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.422 -4.943 1.002 1.00 0.00 H new ATOM 1168 N VAL A 83 9.336 -3.274 -0.232 1.00 0.00 N ATOM 1169 CA VAL A 83 10.153 -2.081 -0.079 1.00 0.00 C ATOM 1170 C VAL A 83 10.715 -1.675 -1.443 1.00 0.00 C ATOM 1171 O VAL A 83 10.519 -0.545 -1.888 1.00 0.00 O ATOM 1172 CB VAL A 83 11.242 -2.323 0.968 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.308 -1.227 0.913 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.639 -2.433 2.370 1.00 0.00 C ATOM 0 H VAL A 83 9.618 -4.062 0.351 1.00 0.00 H new ATOM 0 HA VAL A 83 9.550 -1.249 0.285 1.00 0.00 H new ATOM 0 HB VAL A 83 11.726 -3.272 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.070 -1.423 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.769 -1.217 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.845 -0.259 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.434 -2.605 3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.118 -1.508 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.935 -3.265 2.399 1.00 0.00 H new ATOM 1184 N GLU A 84 11.402 -2.619 -2.069 1.00 0.00 N ATOM 1185 CA GLU A 84 11.994 -2.374 -3.373 1.00 0.00 C ATOM 1186 C GLU A 84 10.930 -1.876 -4.354 1.00 0.00 C ATOM 1187 O GLU A 84 11.164 -0.929 -5.102 1.00 0.00 O ATOM 1188 CB GLU A 84 12.686 -3.630 -3.906 1.00 0.00 C ATOM 1189 CG GLU A 84 13.333 -3.363 -5.267 1.00 0.00 C ATOM 1190 CD GLU A 84 14.631 -4.160 -5.422 1.00 0.00 C ATOM 1191 OE1 GLU A 84 15.666 -3.658 -4.934 1.00 0.00 O ATOM 1192 OE2 GLU A 84 14.557 -5.252 -6.025 1.00 0.00 O ATOM 0 H GLU A 84 11.562 -3.555 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 84 12.753 -1.599 -3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.445 -3.960 -3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.961 -4.439 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.639 -3.633 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.541 -2.298 -5.373 1.00 0.00 H new ATOM 1199 N ALA A 85 9.782 -2.538 -4.318 1.00 0.00 N ATOM 1200 CA ALA A 85 8.681 -2.175 -5.194 1.00 0.00 C ATOM 1201 C ALA A 85 8.347 -0.694 -4.999 1.00 0.00 C ATOM 1202 O ALA A 85 8.345 0.077 -5.957 1.00 0.00 O ATOM 1203 CB ALA A 85 7.484 -3.084 -4.913 1.00 0.00 C ATOM 0 H ALA A 85 9.591 -3.323 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 85 8.959 -2.316 -6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.658 -2.812 -5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.765 -4.122 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.175 -2.968 -3.874 1.00 0.00 H new ATOM 1209 N PHE A 86 8.072 -0.342 -3.752 1.00 0.00 N ATOM 1210 CA PHE A 86 7.738 1.032 -3.419 1.00 0.00 C ATOM 1211 C PHE A 86 8.922 1.964 -3.681 1.00 0.00 C ATOM 1212 O PHE A 86 8.738 3.157 -3.920 1.00 0.00 O ATOM 1213 CB PHE A 86 7.401 1.062 -1.927 1.00 0.00 C ATOM 1214 CG PHE A 86 5.964 0.646 -1.604 1.00 0.00 C ATOM 1215 CD1 PHE A 86 4.925 1.428 -2.000 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.727 -0.506 -0.922 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.592 1.043 -1.701 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.393 -0.892 -0.622 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.354 -0.110 -1.019 1.00 0.00 C ATOM 0 H PHE A 86 8.074 -0.985 -2.960 1.00 0.00 H new ATOM 0 HA PHE A 86 6.902 1.370 -4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.087 0.402 -1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.571 2.069 -1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.114 2.343 -2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.553 -1.128 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.767 1.665 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.204 -1.806 -0.079 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.340 -0.404 -0.793 1.00 0.00 H new ATOM 1229 N LYS A 87 10.113 1.385 -3.627 1.00 0.00 N ATOM 1230 CA LYS A 87 11.327 2.149 -3.856 1.00 0.00 C ATOM 1231 C LYS A 87 11.484 2.414 -5.354 1.00 0.00 C ATOM 1232 O LYS A 87 11.700 3.552 -5.768 1.00 0.00 O ATOM 1233 CB LYS A 87 12.531 1.443 -3.227 1.00 0.00 C ATOM 1234 CG LYS A 87 13.844 2.004 -3.776 1.00 0.00 C ATOM 1235 CD LYS A 87 15.046 1.395 -3.052 1.00 0.00 C ATOM 1236 CE LYS A 87 15.445 2.244 -1.843 1.00 0.00 C ATOM 1237 NZ LYS A 87 16.898 2.126 -1.584 1.00 0.00 N ATOM 0 H LYS A 87 10.263 0.396 -3.428 1.00 0.00 H new ATOM 0 HA LYS A 87 11.263 3.120 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.504 1.565 -2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.476 0.373 -3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.914 1.796 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.857 3.088 -3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.805 0.383 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.888 1.317 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.185 3.287 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.886 1.922 -0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.152 2.708 -0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.137 1.132 -1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.427 2.455 -2.417 1.00 0.00 H new ATOM 1251 N THR A 88 11.369 1.343 -6.127 1.00 0.00 N ATOM 1252 CA THR A 88 11.495 1.446 -7.571 1.00 0.00 C ATOM 1253 C THR A 88 10.193 1.965 -8.184 1.00 0.00 C ATOM 1254 O THR A 88 10.126 2.214 -9.387 1.00 0.00 O ATOM 1255 CB THR A 88 11.915 0.076 -8.107 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.916 -0.812 -7.613 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.211 -0.431 -7.469 1.00 0.00 C ATOM 0 H THR A 88 11.190 0.401 -5.780 1.00 0.00 H new ATOM 0 HA THR A 88 12.260 2.170 -7.851 1.00 0.00 H new ATOM 0 HB THR A 88 12.040 0.133 -9.188 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.187 -1.153 -6.735 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.464 -1.406 -7.885 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.018 0.272 -7.676 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.075 -0.520 -6.391 1.00 0.00 H new ATOM 1265 N ALA A 89 9.192 2.113 -7.330 1.00 0.00 N ATOM 1266 CA ALA A 89 7.896 2.598 -7.773 1.00 0.00 C ATOM 1267 C ALA A 89 8.026 4.058 -8.212 1.00 0.00 C ATOM 1268 O ALA A 89 8.875 4.790 -7.705 1.00 0.00 O ATOM 1269 CB ALA A 89 6.872 2.416 -6.651 1.00 0.00 C ATOM 0 H ALA A 89 9.252 1.906 -6.333 1.00 0.00 H new ATOM 0 HA ALA A 89 7.545 2.025 -8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.900 2.780 -6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.796 1.359 -6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.190 2.979 -5.774 1.00 0.00 H new ATOM 1275 N LYS A 90 7.171 4.438 -9.151 1.00 0.00 N ATOM 1276 CA LYS A 90 7.180 5.798 -9.664 1.00 0.00 C ATOM 1277 C LYS A 90 5.819 6.446 -9.401 1.00 0.00 C ATOM 1278 O LYS A 90 4.801 5.759 -9.345 1.00 0.00 O ATOM 1279 CB LYS A 90 7.593 5.811 -11.138 1.00 0.00 C ATOM 1280 CG LYS A 90 9.113 5.914 -11.280 1.00 0.00 C ATOM 1281 CD LYS A 90 9.607 7.308 -10.890 1.00 0.00 C ATOM 1282 CE LYS A 90 11.102 7.461 -11.177 1.00 0.00 C ATOM 1283 NZ LYS A 90 11.452 8.887 -11.358 1.00 0.00 N ATOM 0 H LYS A 90 6.468 3.829 -9.569 1.00 0.00 H new ATOM 0 HA LYS A 90 7.926 6.398 -9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.239 4.903 -11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.119 6.651 -11.645 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.592 5.165 -10.650 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.401 5.697 -12.308 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.048 8.063 -11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.417 7.482 -9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.681 7.040 -10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.366 6.899 -12.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.470 8.973 -11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.913 9.278 -12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.219 9.414 -10.492 1.00 0.00 H new ATOM 1297 N GLU A 91 5.847 7.762 -9.247 1.00 0.00 N ATOM 1298 CA GLU A 91 4.628 8.511 -8.991 1.00 0.00 C ATOM 1299 C GLU A 91 3.985 8.944 -10.309 1.00 0.00 C ATOM 1300 O GLU A 91 4.682 9.310 -11.254 1.00 0.00 O ATOM 1301 CB GLU A 91 4.906 9.719 -8.093 1.00 0.00 C ATOM 1302 CG GLU A 91 5.912 9.367 -6.996 1.00 0.00 C ATOM 1303 CD GLU A 91 7.317 9.846 -7.367 1.00 0.00 C ATOM 1304 OE1 GLU A 91 7.456 11.064 -7.611 1.00 0.00 O ATOM 1305 OE2 GLU A 91 8.221 8.983 -7.399 1.00 0.00 O ATOM 0 H GLU A 91 6.694 8.328 -9.295 1.00 0.00 H new ATOM 0 HA GLU A 91 3.929 7.861 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.292 10.542 -8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.975 10.063 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.605 9.824 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.921 8.288 -6.838 1.00 0.00 H new ATOM 1312 N PRO A 92 2.626 8.886 -10.332 1.00 0.00 N ATOM 1313 CA PRO A 92 1.877 8.441 -9.170 1.00 0.00 C ATOM 1314 C PRO A 92 1.973 6.923 -9.004 1.00 0.00 C ATOM 1315 O PRO A 92 2.011 6.188 -9.990 1.00 0.00 O ATOM 1316 CB PRO A 92 0.455 8.923 -9.410 1.00 0.00 C ATOM 1317 CG PRO A 92 0.358 9.211 -10.899 1.00 0.00 C ATOM 1318 CD PRO A 92 1.771 9.242 -11.460 1.00 0.00 C ATOM 0 HA PRO A 92 2.269 8.846 -8.237 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.270 8.166 -9.111 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.242 9.817 -8.825 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.234 8.444 -11.398 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.143 10.164 -11.072 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.886 8.536 -12.282 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.021 10.229 -11.850 1.00 0.00 H new ATOM 1326 N ILE A 93 2.009 6.498 -7.750 1.00 0.00 N ATOM 1327 CA ILE A 93 2.100 5.081 -7.442 1.00 0.00 C ATOM 1328 C ILE A 93 0.699 4.531 -7.168 1.00 0.00 C ATOM 1329 O ILE A 93 0.081 4.872 -6.160 1.00 0.00 O ATOM 1330 CB ILE A 93 3.089 4.843 -6.299 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.462 5.430 -6.630 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.171 3.356 -5.945 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.236 5.769 -5.354 1.00 0.00 C ATOM 0 H ILE A 93 1.977 7.110 -6.935 1.00 0.00 H new ATOM 0 HA ILE A 93 2.497 4.531 -8.295 1.00 0.00 H new ATOM 0 HB ILE A 93 2.721 5.364 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.032 4.718 -7.227 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.341 6.328 -7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.881 3.215 -5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.188 3.001 -5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.503 2.792 -6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.208 6.185 -5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.675 6.500 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.377 4.864 -4.762 1.00 0.00 H new ATOM 1345 N VAL A 94 0.238 3.691 -8.082 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.079 3.091 -7.951 1.00 0.00 C ATOM 1347 C VAL A 94 -0.987 1.859 -7.050 1.00 0.00 C ATOM 1348 O VAL A 94 -0.407 0.845 -7.436 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.652 2.778 -9.335 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -3.076 2.228 -9.228 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.607 4.012 -10.239 1.00 0.00 C ATOM 0 H VAL A 94 0.753 3.411 -8.917 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.770 3.788 -7.478 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.029 2.007 -9.789 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.459 2.014 -10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.069 1.312 -8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.716 2.966 -8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.020 3.762 -11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.195 4.813 -9.791 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.574 4.341 -10.355 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.566 1.986 -5.865 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.556 0.895 -4.906 1.00 0.00 C ATOM 1363 C VAL A 95 -2.995 0.458 -4.622 1.00 0.00 C ATOM 1364 O VAL A 95 -3.921 1.261 -4.715 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.800 1.315 -3.644 1.00 0.00 C ATOM 1366 CG1 VAL A 95 -0.018 0.138 -3.056 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.125 2.500 -3.928 1.00 0.00 C ATOM 0 H VAL A 95 -2.045 2.828 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.028 0.033 -5.314 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.534 1.633 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.510 0.464 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.708 -0.665 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.702 -0.224 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.650 2.779 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.850 2.221 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.465 3.346 -4.279 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.136 -0.815 -4.283 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.446 -1.370 -3.986 1.00 0.00 C ATOM 1379 C GLN A 96 -4.399 -2.177 -2.687 1.00 0.00 C ATOM 1380 O GLN A 96 -3.440 -2.907 -2.441 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.955 -2.227 -5.147 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.248 -2.952 -4.767 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.364 -2.641 -5.767 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -8.285 -1.888 -5.495 1.00 0.00 O ATOM 1385 NE2 GLN A 96 -7.231 -3.261 -6.936 1.00 0.00 N ATOM 0 H GLN A 96 -2.365 -1.478 -4.207 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.146 -0.545 -3.853 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.130 -1.597 -6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.194 -2.955 -5.427 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.071 -4.027 -4.737 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.557 -2.651 -3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.435 -3.878 -7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.924 -3.119 -7.670 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.446 -2.019 -1.891 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.536 -2.724 -0.624 1.00 0.00 C ATOM 1396 C VAL A 97 -6.854 -3.498 -0.569 1.00 0.00 C ATOM 1397 O VAL A 97 -7.761 -3.245 -1.361 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.372 -1.739 0.536 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.928 -1.240 0.631 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.349 -0.569 0.404 1.00 0.00 C ATOM 0 H VAL A 97 -6.240 -1.413 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.728 -3.450 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.606 -2.267 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.838 -0.542 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.261 -2.086 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.655 -0.736 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.212 0.116 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.161 -0.042 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.372 -0.947 0.408 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.919 -4.426 0.375 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.111 -5.239 0.544 1.00 0.00 C ATOM 1412 C LEU A 98 -8.786 -4.878 1.869 1.00 0.00 C ATOM 1413 O LEU A 98 -8.281 -5.214 2.939 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.770 -6.725 0.413 1.00 0.00 C ATOM 1415 CG LEU A 98 -8.267 -7.418 -0.858 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -8.018 -6.546 -2.090 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -7.644 -8.808 -1.003 1.00 0.00 C ATOM 0 H LEU A 98 -6.165 -4.633 1.030 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.830 -5.030 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.687 -6.835 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.183 -7.250 1.274 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.345 -7.556 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.380 -7.061 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.547 -5.599 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.950 -6.355 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.013 -9.279 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.559 -8.717 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.915 -9.420 -0.143 1.00 0.00 H new