USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 409 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 41 GLN : amide:sc= -6.3! C(o=-10!,f=-12!) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0.0442 USER MOD Set 1.3: A 51 GLN : amide:sc= -3.87! C(o=-10!,f=-14!) USER MOD Set 1.4: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ -156:sc= -0.403! (180deg=-1.17!) USER MOD Single : A 3 ASN : amide:sc= -0.552 K(o=-0.55,f=0) USER MOD Single : A 4 GLN : amide:sc= -1.91 K(o=-1.9,f=-4.6!) USER MOD Single : A 5 HIS : no HD1:sc= -13.2! C(o=-13!,f=-16!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -130:sc= -2.35! USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0284 USER MOD Single : A 44 HIS : no HD1:sc= -6.75! C(o=-6.7!,f=-3!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0173 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.175 X(o=0.17,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.688 K(o=-0.69,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 11.181 0.441 -3.024 1.00 0.00 N ATOM 2 CA PHE A 1 11.139 1.628 -3.921 1.00 0.00 C ATOM 3 C PHE A 1 11.752 2.840 -3.203 1.00 0.00 C ATOM 4 O PHE A 1 12.813 2.746 -2.619 1.00 0.00 O ATOM 5 CB PHE A 1 9.686 1.910 -4.328 1.00 0.00 C ATOM 6 CG PHE A 1 8.838 2.272 -3.121 1.00 0.00 C ATOM 7 CD1 PHE A 1 9.368 2.225 -1.820 1.00 0.00 C ATOM 8 CD2 PHE A 1 7.507 2.668 -3.313 1.00 0.00 C ATOM 9 CE1 PHE A 1 8.568 2.572 -0.725 1.00 0.00 C ATOM 10 CE2 PHE A 1 6.709 3.014 -2.214 1.00 0.00 C ATOM 11 CZ PHE A 1 7.240 2.966 -0.922 1.00 0.00 C ATOM 0 H1 PHE A 1 11.162 -0.427 -3.596 1.00 0.00 H new ATOM 0 H2 PHE A 1 12.054 0.464 -2.459 1.00 0.00 H new ATOM 0 H3 PHE A 1 10.357 0.456 -2.389 1.00 0.00 H new ATOM 0 HA PHE A 1 11.720 1.432 -4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 1 9.660 2.725 -5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 1 9.267 1.033 -4.820 1.00 0.00 H new ATOM 0 HD1 PHE A 1 10.393 1.921 -1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 1 7.095 2.707 -4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 1 8.977 2.536 0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 1 5.684 3.318 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 1 6.625 3.233 -0.075 1.00 0.00 H new ATOM 23 N VAL A 2 11.104 3.975 -3.231 1.00 0.00 N ATOM 24 CA VAL A 2 11.670 5.165 -2.541 1.00 0.00 C ATOM 25 C VAL A 2 10.536 6.059 -2.051 1.00 0.00 C ATOM 26 O VAL A 2 9.381 5.681 -2.061 1.00 0.00 O ATOM 27 CB VAL A 2 12.545 5.954 -3.512 1.00 0.00 C ATOM 28 CG1 VAL A 2 13.830 5.177 -3.785 1.00 0.00 C ATOM 29 CG2 VAL A 2 11.787 6.166 -4.823 1.00 0.00 C ATOM 0 H VAL A 2 10.211 4.126 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 2 12.270 4.835 -1.693 1.00 0.00 H new ATOM 0 HB VAL A 2 12.792 6.922 -3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.455 5.740 -4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 2 14.370 5.026 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.584 4.209 -4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.411 6.729 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.539 5.199 -5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.870 6.721 -4.627 1.00 0.00 H new ATOM 39 N ASN A 3 10.858 7.246 -1.630 1.00 0.00 N ATOM 40 CA ASN A 3 9.806 8.176 -1.146 1.00 0.00 C ATOM 41 C ASN A 3 9.088 8.776 -2.345 1.00 0.00 C ATOM 42 O ASN A 3 9.451 9.828 -2.836 1.00 0.00 O ATOM 43 CB ASN A 3 10.444 9.289 -0.315 1.00 0.00 C ATOM 44 CG ASN A 3 10.565 8.836 1.141 1.00 0.00 C ATOM 45 OD1 ASN A 3 10.288 9.593 2.050 1.00 0.00 O ATOM 46 ND2 ASN A 3 10.970 7.624 1.401 1.00 0.00 N ATOM 0 H ASN A 3 11.809 7.614 -1.600 1.00 0.00 H new ATOM 0 HA ASN A 3 9.093 7.635 -0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.428 9.535 -0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.840 10.194 -0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.054 7.311 2.368 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.202 6.989 0.637 1.00 0.00 H new ATOM 53 N GLN A 4 8.075 8.117 -2.828 1.00 0.00 N ATOM 54 CA GLN A 4 7.350 8.658 -4.002 1.00 0.00 C ATOM 55 C GLN A 4 5.857 8.776 -3.694 1.00 0.00 C ATOM 56 O GLN A 4 5.383 8.386 -2.636 1.00 0.00 O ATOM 57 CB GLN A 4 7.553 7.736 -5.205 1.00 0.00 C ATOM 58 CG GLN A 4 7.063 6.329 -4.865 1.00 0.00 C ATOM 59 CD GLN A 4 7.904 5.301 -5.625 1.00 0.00 C ATOM 60 OE1 GLN A 4 9.048 5.552 -5.947 1.00 0.00 O ATOM 61 NE2 GLN A 4 7.381 4.146 -5.927 1.00 0.00 N ATOM 0 H GLN A 4 7.721 7.233 -2.462 1.00 0.00 H new ATOM 0 HA GLN A 4 7.744 9.648 -4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.009 8.122 -6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.607 7.708 -5.480 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.139 6.155 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.011 6.224 -5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 4 6.420 3.935 -5.657 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.932 3.453 -6.434 1.00 0.00 H new ATOM 70 N HIS A 5 5.121 9.324 -4.625 1.00 0.00 N ATOM 71 CA HIS A 5 3.657 9.500 -4.438 1.00 0.00 C ATOM 72 C HIS A 5 2.946 8.273 -5.011 1.00 0.00 C ATOM 73 O HIS A 5 2.960 8.036 -6.203 1.00 0.00 O ATOM 74 CB HIS A 5 3.209 10.751 -5.195 1.00 0.00 C ATOM 75 CG HIS A 5 3.599 11.975 -4.412 1.00 0.00 C ATOM 76 ND1 HIS A 5 2.690 12.666 -3.639 1.00 0.00 N ATOM 77 CD2 HIS A 5 4.802 12.617 -4.301 1.00 0.00 C ATOM 78 CE1 HIS A 5 3.358 13.694 -3.090 1.00 0.00 C ATOM 79 NE2 HIS A 5 4.652 13.704 -3.469 1.00 0.00 N ATOM 0 H HIS A 5 5.481 9.661 -5.518 1.00 0.00 H new ATOM 0 HA HIS A 5 3.416 9.609 -3.381 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.669 10.776 -6.183 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.130 10.731 -5.346 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.720 12.320 -4.787 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.914 14.422 -2.427 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.369 14.376 -3.197 1.00 0.00 H new ATOM 87 N LEU A 6 2.350 7.481 -4.172 1.00 0.00 N ATOM 88 CA LEU A 6 1.664 6.255 -4.660 1.00 0.00 C ATOM 89 C LEU A 6 0.148 6.352 -4.469 1.00 0.00 C ATOM 90 O LEU A 6 -0.342 6.630 -3.395 1.00 0.00 O ATOM 91 CB LEU A 6 2.201 5.068 -3.871 1.00 0.00 C ATOM 92 CG LEU A 6 2.828 4.071 -4.823 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.811 4.800 -5.739 1.00 0.00 C ATOM 94 CD2 LEU A 6 3.574 3.019 -4.014 1.00 0.00 C ATOM 0 H LEU A 6 2.307 7.629 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 6 1.858 6.136 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.939 5.405 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.394 4.595 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 6 2.055 3.594 -5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.265 4.087 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.281 5.564 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.589 5.270 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.030 2.296 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.351 3.500 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.876 2.507 -3.352 1.00 0.00 H new ATOM 106 N CYS A 7 -0.596 6.093 -5.507 1.00 0.00 N ATOM 107 CA CYS A 7 -2.078 6.135 -5.393 1.00 0.00 C ATOM 108 C CYS A 7 -2.609 4.714 -5.526 1.00 0.00 C ATOM 109 O CYS A 7 -1.871 3.809 -5.854 1.00 0.00 O ATOM 110 CB CYS A 7 -2.666 7.006 -6.505 1.00 0.00 C ATOM 111 SG CYS A 7 -2.170 8.728 -6.257 1.00 0.00 S ATOM 0 H CYS A 7 -0.239 5.853 -6.432 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.363 6.559 -4.430 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.320 6.654 -7.477 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.753 6.927 -6.506 1.00 0.00 H new ATOM 116 N GLY A 8 -3.875 4.515 -5.264 1.00 0.00 N ATOM 117 CA GLY A 8 -4.475 3.148 -5.356 1.00 0.00 C ATOM 118 C GLY A 8 -3.755 2.303 -6.410 1.00 0.00 C ATOM 119 O GLY A 8 -3.402 1.169 -6.164 1.00 0.00 O ATOM 0 H GLY A 8 -4.527 5.249 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.415 2.655 -4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.532 3.227 -5.608 1.00 0.00 H new ATOM 123 N SER A 9 -3.535 2.840 -7.577 1.00 0.00 N ATOM 124 CA SER A 9 -2.843 2.052 -8.635 1.00 0.00 C ATOM 125 C SER A 9 -1.436 1.661 -8.174 1.00 0.00 C ATOM 126 O SER A 9 -1.149 0.501 -7.945 1.00 0.00 O ATOM 127 CB SER A 9 -2.747 2.886 -9.914 1.00 0.00 C ATOM 128 OG SER A 9 -4.027 2.943 -10.532 1.00 0.00 O ATOM 0 H SER A 9 -3.803 3.787 -7.844 1.00 0.00 H new ATOM 0 HA SER A 9 -3.416 1.145 -8.829 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.397 3.892 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.020 2.445 -10.596 1.00 0.00 H new ATOM 0 HG SER A 9 -3.971 3.478 -11.351 1.00 0.00 H new ATOM 134 N ASP A 10 -0.551 2.609 -8.035 1.00 0.00 N ATOM 135 CA ASP A 10 0.823 2.260 -7.592 1.00 0.00 C ATOM 136 C ASP A 10 0.756 1.771 -6.151 1.00 0.00 C ATOM 137 O ASP A 10 1.683 1.175 -5.640 1.00 0.00 O ATOM 138 CB ASP A 10 1.735 3.484 -7.705 1.00 0.00 C ATOM 139 CG ASP A 10 2.159 3.669 -9.163 1.00 0.00 C ATOM 140 OD1 ASP A 10 2.994 2.904 -9.617 1.00 0.00 O ATOM 141 OD2 ASP A 10 1.642 4.573 -9.801 1.00 0.00 O ATOM 0 H ASP A 10 -0.719 3.600 -8.208 1.00 0.00 H new ATOM 0 HA ASP A 10 1.234 1.473 -8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.214 4.373 -7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.614 3.356 -7.073 1.00 0.00 H new ATOM 146 N LEU A 11 -0.355 1.983 -5.497 1.00 0.00 N ATOM 147 CA LEU A 11 -0.494 1.490 -4.107 1.00 0.00 C ATOM 148 C LEU A 11 -0.541 -0.023 -4.135 1.00 0.00 C ATOM 149 O LEU A 11 0.161 -0.687 -3.401 1.00 0.00 O ATOM 150 CB LEU A 11 -1.788 2.003 -3.479 1.00 0.00 C ATOM 151 CG LEU A 11 -1.471 2.734 -2.177 1.00 0.00 C ATOM 152 CD1 LEU A 11 -1.589 4.233 -2.384 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.468 2.307 -1.106 1.00 0.00 C ATOM 0 H LEU A 11 -1.167 2.475 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 11 0.352 1.846 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.298 2.674 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.465 1.171 -3.285 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.456 2.487 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.361 4.748 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.886 4.550 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.604 4.478 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.246 2.827 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.478 2.558 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.394 1.231 -0.948 1.00 0.00 H new ATOM 165 N VAL A 12 -1.366 -0.581 -4.978 1.00 0.00 N ATOM 166 CA VAL A 12 -1.449 -2.058 -5.034 1.00 0.00 C ATOM 167 C VAL A 12 -0.115 -2.597 -5.508 1.00 0.00 C ATOM 168 O VAL A 12 0.269 -3.682 -5.164 1.00 0.00 O ATOM 169 CB VAL A 12 -2.554 -2.501 -5.992 1.00 0.00 C ATOM 170 CG1 VAL A 12 -3.910 -2.374 -5.304 1.00 0.00 C ATOM 171 CG2 VAL A 12 -2.525 -1.633 -7.250 1.00 0.00 C ATOM 0 H VAL A 12 -1.978 -0.080 -5.622 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.684 -2.445 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.392 -3.541 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.697 -2.690 -5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.928 -3.005 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.076 -1.336 -5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.314 -1.952 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.682 -0.590 -6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.558 -1.737 -7.742 1.00 0.00 H new ATOM 181 N GLU A 13 0.605 -1.836 -6.278 1.00 0.00 N ATOM 182 CA GLU A 13 1.938 -2.310 -6.745 1.00 0.00 C ATOM 183 C GLU A 13 2.888 -2.291 -5.551 1.00 0.00 C ATOM 184 O GLU A 13 3.461 -3.296 -5.181 1.00 0.00 O ATOM 185 CB GLU A 13 2.467 -1.378 -7.832 1.00 0.00 C ATOM 186 CG GLU A 13 3.104 -2.207 -8.949 1.00 0.00 C ATOM 187 CD GLU A 13 2.162 -2.252 -10.152 1.00 0.00 C ATOM 188 OE1 GLU A 13 1.941 -1.210 -10.746 1.00 0.00 O ATOM 189 OE2 GLU A 13 1.678 -3.328 -10.460 1.00 0.00 O ATOM 0 H GLU A 13 0.332 -0.909 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 13 1.858 -3.317 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.655 -0.771 -8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.201 -0.691 -7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.060 -1.772 -9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.308 -3.218 -8.595 1.00 0.00 H new ATOM 196 N ALA A 14 3.037 -1.153 -4.922 1.00 0.00 N ATOM 197 CA ALA A 14 3.926 -1.085 -3.731 1.00 0.00 C ATOM 198 C ALA A 14 3.448 -2.133 -2.739 1.00 0.00 C ATOM 199 O ALA A 14 4.218 -2.897 -2.193 1.00 0.00 O ATOM 200 CB ALA A 14 3.835 0.305 -3.096 1.00 0.00 C ATOM 0 H ALA A 14 2.584 -0.277 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 14 4.962 -1.269 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.488 0.350 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.145 1.057 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.807 0.499 -2.790 1.00 0.00 H new ATOM 206 N LEU A 15 2.167 -2.184 -2.529 1.00 0.00 N ATOM 207 CA LEU A 15 1.593 -3.188 -1.605 1.00 0.00 C ATOM 208 C LEU A 15 1.807 -4.571 -2.203 1.00 0.00 C ATOM 209 O LEU A 15 2.153 -5.516 -1.529 1.00 0.00 O ATOM 210 CB LEU A 15 0.103 -2.924 -1.474 1.00 0.00 C ATOM 211 CG LEU A 15 -0.148 -2.104 -0.215 1.00 0.00 C ATOM 212 CD1 LEU A 15 -1.455 -1.349 -0.352 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.249 -3.040 0.984 1.00 0.00 C ATOM 0 H LEU A 15 1.485 -1.563 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 15 2.069 -3.128 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.263 -2.389 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.443 -3.866 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 15 0.673 -1.401 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.633 -0.763 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.402 -0.683 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.272 -2.057 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.429 -2.457 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.073 -3.737 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.682 -3.596 1.091 1.00 0.00 H new ATOM 225 N TYR A 16 1.622 -4.670 -3.483 1.00 0.00 N ATOM 226 CA TYR A 16 1.819 -5.962 -4.191 1.00 0.00 C ATOM 227 C TYR A 16 3.258 -6.403 -3.965 1.00 0.00 C ATOM 228 O TYR A 16 3.610 -7.559 -4.103 1.00 0.00 O ATOM 229 CB TYR A 16 1.558 -5.721 -5.679 1.00 0.00 C ATOM 230 CG TYR A 16 2.253 -6.747 -6.525 1.00 0.00 C ATOM 231 CD1 TYR A 16 1.634 -7.970 -6.791 1.00 0.00 C ATOM 232 CD2 TYR A 16 3.513 -6.460 -7.055 1.00 0.00 C ATOM 233 CE1 TYR A 16 2.282 -8.918 -7.591 1.00 0.00 C ATOM 234 CE2 TYR A 16 4.163 -7.402 -7.858 1.00 0.00 C ATOM 235 CZ TYR A 16 3.549 -8.635 -8.126 1.00 0.00 C ATOM 236 OH TYR A 16 4.188 -9.568 -8.919 1.00 0.00 O ATOM 0 H TYR A 16 1.337 -3.896 -4.083 1.00 0.00 H new ATOM 0 HA TYR A 16 1.144 -6.736 -3.826 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.486 -5.752 -5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.903 -4.724 -5.955 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.658 -8.184 -6.381 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.985 -5.511 -6.845 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.808 -9.866 -7.797 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.136 -7.181 -8.271 1.00 0.00 H new ATOM 0 HH TYR A 16 5.055 -9.213 -9.208 1.00 0.00 H new ATOM 246 N LEU A 17 4.085 -5.470 -3.611 1.00 0.00 N ATOM 247 CA LEU A 17 5.511 -5.764 -3.354 1.00 0.00 C ATOM 248 C LEU A 17 5.681 -6.120 -1.884 1.00 0.00 C ATOM 249 O LEU A 17 6.045 -7.221 -1.526 1.00 0.00 O ATOM 250 CB LEU A 17 6.301 -4.497 -3.664 1.00 0.00 C ATOM 251 CG LEU A 17 7.253 -4.726 -4.837 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.575 -5.579 -5.916 1.00 0.00 C ATOM 253 CD2 LEU A 17 7.628 -3.371 -5.435 1.00 0.00 C ATOM 0 H LEU A 17 3.825 -4.492 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 17 5.860 -6.594 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.615 -3.684 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.867 -4.191 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 17 8.142 -5.247 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.266 -5.733 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.294 -6.544 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.683 -5.067 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.308 -3.519 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.727 -2.865 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.117 -2.761 -4.675 1.00 0.00 H new ATOM 265 N VAL A 18 5.415 -5.175 -1.039 1.00 0.00 N ATOM 266 CA VAL A 18 5.548 -5.416 0.432 1.00 0.00 C ATOM 267 C VAL A 18 4.839 -6.711 0.795 1.00 0.00 C ATOM 268 O VAL A 18 5.197 -7.389 1.738 1.00 0.00 O ATOM 269 CB VAL A 18 4.913 -4.278 1.248 1.00 0.00 C ATOM 270 CG1 VAL A 18 6.006 -3.509 1.974 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.143 -3.319 0.343 1.00 0.00 C ATOM 0 H VAL A 18 5.109 -4.237 -1.297 1.00 0.00 H new ATOM 0 HA VAL A 18 6.611 -5.470 0.666 1.00 0.00 H new ATOM 0 HB VAL A 18 4.217 -4.714 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.559 -2.701 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.542 -4.182 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.702 -3.091 1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.704 -2.524 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.823 -2.886 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.351 -3.862 -0.173 1.00 0.00 H new ATOM 281 N CYS A 19 3.827 -7.054 0.061 1.00 0.00 N ATOM 282 CA CYS A 19 3.082 -8.301 0.370 1.00 0.00 C ATOM 283 C CYS A 19 3.702 -9.469 -0.385 1.00 0.00 C ATOM 284 O CYS A 19 4.331 -10.336 0.188 1.00 0.00 O ATOM 285 CB CYS A 19 1.618 -8.142 -0.045 1.00 0.00 C ATOM 286 SG CYS A 19 0.577 -8.192 1.428 1.00 0.00 S ATOM 0 H CYS A 19 3.481 -6.526 -0.741 1.00 0.00 H new ATOM 0 HA CYS A 19 3.135 -8.495 1.441 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.477 -7.199 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.334 -8.938 -0.733 1.00 0.00 H new ATOM 291 N GLY A 20 3.523 -9.493 -1.666 1.00 0.00 N ATOM 292 CA GLY A 20 4.094 -10.601 -2.478 1.00 0.00 C ATOM 293 C GLY A 20 3.380 -11.911 -2.133 1.00 0.00 C ATOM 294 O GLY A 20 2.749 -12.522 -2.972 1.00 0.00 O ATOM 0 H GLY A 20 3.004 -8.792 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.982 -10.383 -3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.162 -10.695 -2.283 1.00 0.00 H new ATOM 298 N GLU A 21 3.480 -12.354 -0.907 1.00 0.00 N ATOM 299 CA GLU A 21 2.810 -13.630 -0.523 1.00 0.00 C ATOM 300 C GLU A 21 2.033 -13.460 0.789 1.00 0.00 C ATOM 301 O GLU A 21 1.262 -14.318 1.172 1.00 0.00 O ATOM 302 CB GLU A 21 3.867 -14.723 -0.346 1.00 0.00 C ATOM 303 CG GLU A 21 4.472 -15.074 -1.707 1.00 0.00 C ATOM 304 CD GLU A 21 5.730 -14.236 -1.939 1.00 0.00 C ATOM 305 OE1 GLU A 21 6.318 -13.802 -0.962 1.00 0.00 O ATOM 306 OE2 GLU A 21 6.085 -14.043 -3.091 1.00 0.00 O ATOM 0 H GLU A 21 3.994 -11.889 -0.159 1.00 0.00 H new ATOM 0 HA GLU A 21 2.110 -13.909 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.648 -14.382 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.418 -15.609 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.717 -16.135 -1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.746 -14.886 -2.498 1.00 0.00 H new ATOM 313 N ARG A 22 2.224 -12.371 1.484 1.00 0.00 N ATOM 314 CA ARG A 22 1.485 -12.174 2.766 1.00 0.00 C ATOM 315 C ARG A 22 -0.002 -11.987 2.477 1.00 0.00 C ATOM 316 O ARG A 22 -0.817 -11.939 3.379 1.00 0.00 O ATOM 317 CB ARG A 22 2.017 -10.932 3.484 1.00 0.00 C ATOM 318 CG ARG A 22 3.108 -11.343 4.476 1.00 0.00 C ATOM 319 CD ARG A 22 2.661 -10.999 5.899 1.00 0.00 C ATOM 320 NE ARG A 22 2.455 -12.256 6.673 1.00 0.00 N ATOM 321 CZ ARG A 22 1.358 -12.428 7.360 1.00 0.00 C ATOM 322 NH1 ARG A 22 0.242 -12.710 6.746 1.00 0.00 N ATOM 323 NH2 ARG A 22 1.378 -12.319 8.660 1.00 0.00 N ATOM 0 H ARG A 22 2.855 -11.614 1.223 1.00 0.00 H new ATOM 0 HA ARG A 22 1.629 -13.050 3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.418 -10.224 2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.206 -10.427 4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.305 -12.412 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.040 -10.828 4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.412 -10.378 6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.737 -10.421 5.872 1.00 0.00 H new ATOM 0 HE ARG A 22 3.171 -12.982 6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.227 -12.796 5.730 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.615 -12.844 7.282 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.251 -12.099 9.140 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.521 -12.453 9.196 1.00 0.00 H new ATOM 337 N GLY A 23 -0.368 -11.873 1.231 1.00 0.00 N ATOM 338 CA GLY A 23 -1.804 -11.682 0.897 1.00 0.00 C ATOM 339 C GLY A 23 -2.251 -10.306 1.389 1.00 0.00 C ATOM 340 O GLY A 23 -2.648 -10.138 2.525 1.00 0.00 O ATOM 0 H GLY A 23 0.265 -11.904 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.954 -11.764 -0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.406 -12.462 1.363 1.00 0.00 H new ATOM 344 N PHE A 24 -2.181 -9.314 0.546 1.00 0.00 N ATOM 345 CA PHE A 24 -2.597 -7.949 0.969 1.00 0.00 C ATOM 346 C PHE A 24 -4.102 -7.787 0.763 1.00 0.00 C ATOM 347 O PHE A 24 -4.791 -8.686 0.324 1.00 0.00 O ATOM 348 CB PHE A 24 -1.840 -6.896 0.139 1.00 0.00 C ATOM 349 CG PHE A 24 -2.739 -6.311 -0.929 1.00 0.00 C ATOM 350 CD1 PHE A 24 -2.971 -7.011 -2.120 1.00 0.00 C ATOM 351 CD2 PHE A 24 -3.348 -5.069 -0.716 1.00 0.00 C ATOM 352 CE1 PHE A 24 -3.813 -6.465 -3.098 1.00 0.00 C ATOM 353 CE2 PHE A 24 -4.187 -4.522 -1.692 1.00 0.00 C ATOM 354 CZ PHE A 24 -4.420 -5.220 -2.884 1.00 0.00 C ATOM 0 H PHE A 24 -1.854 -9.390 -0.417 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.361 -7.809 2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.478 -6.102 0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.965 -7.351 -0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.502 -7.970 -2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.170 -4.532 0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.994 -7.003 -4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.655 -3.563 -1.527 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.068 -4.799 -3.638 1.00 0.00 H new ATOM 364 N PHE A 25 -4.601 -6.623 1.055 1.00 0.00 N ATOM 365 CA PHE A 25 -6.043 -6.356 0.858 1.00 0.00 C ATOM 366 C PHE A 25 -6.256 -4.854 0.848 1.00 0.00 C ATOM 367 O PHE A 25 -5.387 -4.090 1.215 1.00 0.00 O ATOM 368 CB PHE A 25 -6.847 -6.963 1.999 1.00 0.00 C ATOM 369 CG PHE A 25 -6.433 -6.302 3.287 1.00 0.00 C ATOM 370 CD1 PHE A 25 -6.849 -4.996 3.572 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.621 -6.994 4.189 1.00 0.00 C ATOM 372 CE1 PHE A 25 -6.450 -4.382 4.767 1.00 0.00 C ATOM 373 CE2 PHE A 25 -5.219 -6.384 5.383 1.00 0.00 C ATOM 374 CZ PHE A 25 -5.635 -5.075 5.674 1.00 0.00 C ATOM 0 H PHE A 25 -4.064 -5.839 1.425 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.372 -6.797 -0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.914 -6.820 1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.674 -8.038 2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.476 -4.463 2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.303 -8.001 3.965 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.770 -3.375 4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.590 -6.919 6.079 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.328 -4.602 6.595 1.00 0.00 H new ATOM 384 N TYR A 26 -7.409 -4.425 0.460 1.00 0.00 N ATOM 385 CA TYR A 26 -7.683 -2.974 0.463 1.00 0.00 C ATOM 386 C TYR A 26 -8.678 -2.701 1.590 1.00 0.00 C ATOM 387 O TYR A 26 -9.718 -3.323 1.672 1.00 0.00 O ATOM 388 CB TYR A 26 -8.286 -2.575 -0.880 1.00 0.00 C ATOM 389 CG TYR A 26 -7.600 -1.339 -1.425 1.00 0.00 C ATOM 390 CD1 TYR A 26 -6.932 -0.451 -0.565 1.00 0.00 C ATOM 391 CD2 TYR A 26 -7.643 -1.072 -2.802 1.00 0.00 C ATOM 392 CE1 TYR A 26 -6.312 0.694 -1.083 1.00 0.00 C ATOM 393 CE2 TYR A 26 -7.023 0.076 -3.317 1.00 0.00 C ATOM 394 CZ TYR A 26 -6.359 0.957 -2.457 1.00 0.00 C ATOM 395 OH TYR A 26 -5.754 2.087 -2.960 1.00 0.00 O ATOM 0 H TYR A 26 -8.177 -5.015 0.140 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.770 -2.399 0.617 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.184 -3.397 -1.589 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.353 -2.384 -0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.896 -0.651 0.496 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.155 -1.752 -3.467 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.797 1.375 -0.421 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.058 0.280 -4.377 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.384 2.566 -3.538 1.00 0.00 H new ATOM 405 N THR A 27 -8.361 -1.805 2.476 1.00 0.00 N ATOM 406 CA THR A 27 -9.296 -1.539 3.611 1.00 0.00 C ATOM 407 C THR A 27 -10.458 -0.672 3.150 1.00 0.00 C ATOM 408 O THR A 27 -10.364 0.054 2.182 1.00 0.00 O ATOM 409 CB THR A 27 -8.571 -0.827 4.756 1.00 0.00 C ATOM 410 OG1 THR A 27 -9.503 -0.026 5.469 1.00 0.00 O ATOM 411 CG2 THR A 27 -7.454 0.061 4.206 1.00 0.00 C ATOM 0 H THR A 27 -7.506 -1.248 2.470 1.00 0.00 H new ATOM 0 HA THR A 27 -9.672 -2.499 3.964 1.00 0.00 H new ATOM 0 HB THR A 27 -8.133 -1.572 5.420 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.045 0.432 6.205 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.947 0.561 5.031 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.738 -0.552 3.658 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.880 0.808 3.536 1.00 0.00 H new ATOM 419 N ASP A 28 -11.555 -0.756 3.856 1.00 0.00 N ATOM 420 CA ASP A 28 -12.771 0.042 3.508 1.00 0.00 C ATOM 421 C ASP A 28 -12.849 0.257 1.993 1.00 0.00 C ATOM 422 O ASP A 28 -12.711 1.364 1.518 1.00 0.00 O ATOM 423 CB ASP A 28 -12.714 1.396 4.219 1.00 0.00 C ATOM 424 CG ASP A 28 -12.804 1.183 5.731 1.00 0.00 C ATOM 425 OD1 ASP A 28 -12.757 0.039 6.152 1.00 0.00 O ATOM 426 OD2 ASP A 28 -12.920 2.169 6.441 1.00 0.00 O ATOM 0 H ASP A 28 -11.662 -1.355 4.675 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.658 -0.503 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.787 1.912 3.968 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.533 2.031 3.881 1.00 0.00 H new ATOM 431 N PRO A 29 -13.063 -0.819 1.286 1.00 0.00 N ATOM 432 CA PRO A 29 -13.162 -0.800 -0.184 1.00 0.00 C ATOM 433 C PRO A 29 -14.543 -0.304 -0.629 1.00 0.00 C ATOM 434 O PRO A 29 -15.400 -1.083 -0.996 1.00 0.00 O ATOM 435 CB PRO A 29 -12.966 -2.270 -0.571 1.00 0.00 C ATOM 436 CG PRO A 29 -13.337 -3.103 0.682 1.00 0.00 C ATOM 437 CD PRO A 29 -13.226 -2.157 1.888 1.00 0.00 C ATOM 0 HA PRO A 29 -12.437 -0.134 -0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.599 -2.537 -1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.936 -2.459 -0.872 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.347 -3.503 0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.665 -3.954 0.794 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -14.116 -2.206 2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.376 -2.415 2.520 1.00 0.00 H new ATOM 445 N THR A 30 -14.769 0.983 -0.601 1.00 0.00 N ATOM 446 CA THR A 30 -16.097 1.508 -1.025 1.00 0.00 C ATOM 447 C THR A 30 -15.965 2.966 -1.462 1.00 0.00 C ATOM 448 O THR A 30 -15.976 3.283 -2.634 1.00 0.00 O ATOM 449 CB THR A 30 -17.078 1.420 0.145 1.00 0.00 C ATOM 450 OG1 THR A 30 -16.384 1.006 1.314 1.00 0.00 O ATOM 451 CG2 THR A 30 -18.178 0.410 -0.184 1.00 0.00 C ATOM 0 H THR A 30 -14.095 1.689 -0.304 1.00 0.00 H new ATOM 0 HA THR A 30 -16.465 0.912 -1.860 1.00 0.00 H new ATOM 0 HB THR A 30 -17.527 2.398 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 30 -17.012 0.951 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 30 -18.877 0.348 0.650 1.00 0.00 H new ATOM 0 HG22 THR A 30 -18.710 0.730 -1.080 1.00 0.00 H new ATOM 0 HG23 THR A 30 -17.732 -0.570 -0.358 1.00 0.00 H new ATOM 459 N GLY A 31 -15.849 3.850 -0.519 1.00 0.00 N ATOM 460 CA GLY A 31 -15.725 5.298 -0.853 1.00 0.00 C ATOM 461 C GLY A 31 -14.497 5.529 -1.737 1.00 0.00 C ATOM 462 O GLY A 31 -13.728 4.625 -1.997 1.00 0.00 O ATOM 0 H GLY A 31 -15.834 3.635 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.623 5.639 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.640 5.885 0.062 1.00 0.00 H new ATOM 466 N GLY A 32 -14.309 6.737 -2.199 1.00 0.00 N ATOM 467 CA GLY A 32 -13.130 7.031 -3.063 1.00 0.00 C ATOM 468 C GLY A 32 -11.870 7.071 -2.201 1.00 0.00 C ATOM 469 O GLY A 32 -10.814 6.621 -2.603 1.00 0.00 O ATOM 0 H GLY A 32 -14.921 7.532 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.032 6.269 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.267 7.985 -3.572 1.00 0.00 H new ATOM 473 N GLY A 33 -11.972 7.598 -1.011 1.00 0.00 N ATOM 474 CA GLY A 33 -10.784 7.660 -0.116 1.00 0.00 C ATOM 475 C GLY A 33 -11.168 7.148 1.277 1.00 0.00 C ATOM 476 O GLY A 33 -11.022 7.852 2.256 1.00 0.00 O ATOM 0 H GLY A 33 -12.829 7.989 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.974 7.057 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.417 8.684 -0.051 1.00 0.00 H new ATOM 480 N PRO A 34 -11.643 5.929 1.321 1.00 0.00 N ATOM 481 CA PRO A 34 -12.063 5.288 2.581 1.00 0.00 C ATOM 482 C PRO A 34 -10.830 4.915 3.395 1.00 0.00 C ATOM 483 O PRO A 34 -10.749 5.162 4.581 1.00 0.00 O ATOM 484 CB PRO A 34 -12.838 4.052 2.117 1.00 0.00 C ATOM 485 CG PRO A 34 -12.360 3.754 0.677 1.00 0.00 C ATOM 486 CD PRO A 34 -11.785 5.073 0.127 1.00 0.00 C ATOM 0 HA PRO A 34 -12.670 5.925 3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -12.646 3.204 2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.912 4.236 2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.603 2.969 0.674 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.186 3.403 0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.826 4.915 -0.366 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -12.452 5.522 -0.609 1.00 0.00 H new ATOM 494 N ARG A 35 -9.858 4.358 2.746 1.00 0.00 N ATOM 495 CA ARG A 35 -8.597 3.999 3.443 1.00 0.00 C ATOM 496 C ARG A 35 -7.602 5.114 3.168 1.00 0.00 C ATOM 497 O ARG A 35 -6.409 4.904 3.067 1.00 0.00 O ATOM 498 CB ARG A 35 -8.059 2.680 2.897 1.00 0.00 C ATOM 499 CG ARG A 35 -7.889 2.795 1.382 1.00 0.00 C ATOM 500 CD ARG A 35 -8.687 1.686 0.707 1.00 0.00 C ATOM 501 NE ARG A 35 -8.714 1.920 -0.765 1.00 0.00 N ATOM 502 CZ ARG A 35 -9.758 1.564 -1.463 1.00 0.00 C ATOM 503 NH1 ARG A 35 -10.223 0.347 -1.371 1.00 0.00 N ATOM 504 NH2 ARG A 35 -10.338 2.425 -2.255 1.00 0.00 N ATOM 0 H ARG A 35 -9.880 4.132 1.752 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.765 3.881 4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.104 2.441 3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.744 1.867 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.234 3.770 1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.835 2.717 1.114 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.238 0.717 0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.703 1.662 1.101 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.917 2.358 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.770 -0.327 -0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.039 0.070 -1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.975 3.376 -2.328 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.154 2.147 -2.801 1.00 0.00 H new ATOM 518 N ARG A 36 -8.109 6.304 3.020 1.00 0.00 N ATOM 519 CA ARG A 36 -7.236 7.465 2.717 1.00 0.00 C ATOM 520 C ARG A 36 -5.932 7.411 3.511 1.00 0.00 C ATOM 521 O ARG A 36 -4.944 7.980 3.095 1.00 0.00 O ATOM 522 CB ARG A 36 -7.976 8.763 3.020 1.00 0.00 C ATOM 523 CG ARG A 36 -8.746 8.638 4.339 1.00 0.00 C ATOM 524 CD ARG A 36 -7.813 8.965 5.507 1.00 0.00 C ATOM 525 NE ARG A 36 -7.947 10.406 5.861 1.00 0.00 N ATOM 526 CZ ARG A 36 -6.983 11.012 6.501 1.00 0.00 C ATOM 527 NH1 ARG A 36 -6.896 10.906 7.799 1.00 0.00 N ATOM 528 NH2 ARG A 36 -6.107 11.722 5.843 1.00 0.00 N ATOM 0 H ARG A 36 -9.102 6.522 3.097 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.983 7.426 1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.267 9.589 3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.666 8.995 2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.599 9.316 4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.142 7.628 4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.059 8.344 6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.781 8.740 5.236 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.790 10.919 5.604 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.580 10.350 8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.144 11.379 8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.175 11.804 4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.354 12.195 6.343 1.00 0.00 H new ATOM 542 N GLY A 37 -5.882 6.723 4.618 1.00 0.00 N ATOM 543 CA GLY A 37 -4.591 6.647 5.362 1.00 0.00 C ATOM 544 C GLY A 37 -3.517 6.346 4.327 1.00 0.00 C ATOM 545 O GLY A 37 -2.471 6.964 4.282 1.00 0.00 O ATOM 0 H GLY A 37 -6.664 6.218 5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.383 7.585 5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.626 5.868 6.123 1.00 0.00 H new ATOM 549 N ILE A 38 -3.816 5.425 3.456 1.00 0.00 N ATOM 550 CA ILE A 38 -2.886 5.085 2.359 1.00 0.00 C ATOM 551 C ILE A 38 -3.264 5.908 1.135 1.00 0.00 C ATOM 552 O ILE A 38 -2.489 6.673 0.597 1.00 0.00 O ATOM 553 CB ILE A 38 -3.018 3.611 1.982 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.554 2.772 3.147 1.00 0.00 C ATOM 555 CG2 ILE A 38 -1.652 3.093 1.575 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.781 1.997 2.674 1.00 0.00 C ATOM 0 H ILE A 38 -4.683 4.887 3.463 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.867 5.291 2.685 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.728 3.526 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.786 2.084 3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.815 3.416 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.728 2.040 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.286 3.663 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.958 3.202 2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.171 1.396 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.547 2.697 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.502 1.344 1.847 1.00 0.00 H new ATOM 568 N VAL A 39 -4.468 5.706 0.688 1.00 0.00 N ATOM 569 CA VAL A 39 -4.986 6.402 -0.518 1.00 0.00 C ATOM 570 C VAL A 39 -4.789 7.909 -0.427 1.00 0.00 C ATOM 571 O VAL A 39 -4.576 8.567 -1.420 1.00 0.00 O ATOM 572 CB VAL A 39 -6.471 6.077 -0.666 1.00 0.00 C ATOM 573 CG1 VAL A 39 -7.116 7.046 -1.658 1.00 0.00 C ATOM 574 CG2 VAL A 39 -6.605 4.652 -1.193 1.00 0.00 C ATOM 0 H VAL A 39 -5.135 5.068 1.122 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.430 6.055 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.969 6.172 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.175 6.810 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.005 8.067 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.628 6.952 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.660 4.403 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.109 4.574 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.141 3.959 -0.491 1.00 0.00 H new ATOM 584 N GLU A 40 -4.862 8.467 0.735 1.00 0.00 N ATOM 585 CA GLU A 40 -4.672 9.935 0.840 1.00 0.00 C ATOM 586 C GLU A 40 -3.214 10.235 1.143 1.00 0.00 C ATOM 587 O GLU A 40 -2.761 11.357 1.031 1.00 0.00 O ATOM 588 CB GLU A 40 -5.558 10.521 1.939 1.00 0.00 C ATOM 589 CG GLU A 40 -5.152 11.971 2.199 1.00 0.00 C ATOM 590 CD GLU A 40 -6.404 12.820 2.415 1.00 0.00 C ATOM 591 OE1 GLU A 40 -7.055 12.633 3.430 1.00 0.00 O ATOM 592 OE2 GLU A 40 -6.693 13.642 1.564 1.00 0.00 O ATOM 0 H GLU A 40 -5.043 7.980 1.613 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.954 10.392 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.605 10.473 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.459 9.935 2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.506 12.027 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.579 12.356 1.355 1.00 0.00 H new ATOM 599 N GLN A 41 -2.480 9.244 1.546 1.00 0.00 N ATOM 600 CA GLN A 41 -1.058 9.475 1.877 1.00 0.00 C ATOM 601 C GLN A 41 -0.197 9.308 0.626 1.00 0.00 C ATOM 602 O GLN A 41 -0.059 10.223 -0.160 1.00 0.00 O ATOM 603 CB GLN A 41 -0.635 8.480 2.961 1.00 0.00 C ATOM 604 CG GLN A 41 0.857 8.649 3.257 1.00 0.00 C ATOM 605 CD GLN A 41 1.291 7.625 4.306 1.00 0.00 C ATOM 606 OE1 GLN A 41 1.668 6.519 3.972 1.00 0.00 O ATOM 607 NE2 GLN A 41 1.254 7.949 5.569 1.00 0.00 N ATOM 0 H GLN A 41 -2.805 8.284 1.660 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.922 10.491 2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.217 8.645 3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.838 7.461 2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.437 8.517 2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.055 9.659 3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.937 8.878 5.848 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.542 7.274 6.277 1.00 0.00 H new ATOM 616 N CYS A 42 0.385 8.159 0.436 1.00 0.00 N ATOM 617 CA CYS A 42 1.239 7.938 -0.764 1.00 0.00 C ATOM 618 C CYS A 42 0.600 8.602 -1.989 1.00 0.00 C ATOM 619 O CYS A 42 1.290 9.111 -2.845 1.00 0.00 O ATOM 620 CB CYS A 42 1.413 6.436 -0.997 1.00 0.00 C ATOM 621 SG CYS A 42 3.167 6.019 -0.811 1.00 0.00 S ATOM 0 H CYS A 42 0.306 7.358 1.063 1.00 0.00 H new ATOM 0 HA CYS A 42 2.219 8.386 -0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.813 5.871 -0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.064 6.165 -1.993 1.00 0.00 H new ATOM 626 N CYS A 43 -0.707 8.626 -2.090 1.00 0.00 N ATOM 627 CA CYS A 43 -1.317 9.275 -3.285 1.00 0.00 C ATOM 628 C CYS A 43 -1.052 10.785 -3.257 1.00 0.00 C ATOM 629 O CYS A 43 -0.529 11.347 -4.199 1.00 0.00 O ATOM 630 CB CYS A 43 -2.825 9.030 -3.297 1.00 0.00 C ATOM 631 SG CYS A 43 -3.509 9.448 -4.924 1.00 0.00 S ATOM 0 H CYS A 43 -1.362 8.234 -1.413 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.870 8.846 -4.182 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.034 7.986 -3.063 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.306 9.632 -2.526 1.00 0.00 H new ATOM 636 N HIS A 44 -1.417 11.446 -2.192 1.00 0.00 N ATOM 637 CA HIS A 44 -1.194 12.919 -2.119 1.00 0.00 C ATOM 638 C HIS A 44 0.226 13.201 -1.633 1.00 0.00 C ATOM 639 O HIS A 44 0.895 14.086 -2.123 1.00 0.00 O ATOM 640 CB HIS A 44 -2.201 13.534 -1.149 1.00 0.00 C ATOM 641 CG HIS A 44 -3.582 13.104 -1.549 1.00 0.00 C ATOM 642 ND1 HIS A 44 -4.518 14.012 -1.993 1.00 0.00 N ATOM 643 CD2 HIS A 44 -4.160 11.868 -1.579 1.00 0.00 C ATOM 644 CE1 HIS A 44 -5.625 13.310 -2.278 1.00 0.00 C ATOM 645 NE2 HIS A 44 -5.453 11.994 -2.040 1.00 0.00 N ATOM 0 H HIS A 44 -1.859 11.032 -1.371 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.326 13.357 -3.108 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.987 13.214 -0.129 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.125 14.621 -1.165 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.683 10.943 -1.289 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.540 13.745 -2.652 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.136 11.248 -2.173 1.00 0.00 H new ATOM 653 N SER A 45 0.692 12.450 -0.674 1.00 0.00 N ATOM 654 CA SER A 45 2.072 12.666 -0.156 1.00 0.00 C ATOM 655 C SER A 45 2.950 11.480 -0.578 1.00 0.00 C ATOM 656 O SER A 45 2.996 11.124 -1.738 1.00 0.00 O ATOM 657 CB SER A 45 2.024 12.779 1.369 1.00 0.00 C ATOM 658 OG SER A 45 3.269 13.276 1.842 1.00 0.00 O ATOM 0 H SER A 45 0.175 11.694 -0.225 1.00 0.00 H new ATOM 0 HA SER A 45 2.492 13.585 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.215 13.445 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.817 11.805 1.811 1.00 0.00 H new ATOM 0 HG SER A 45 3.241 13.351 2.819 1.00 0.00 H new ATOM 664 N ILE A 46 3.647 10.861 0.339 1.00 0.00 N ATOM 665 CA ILE A 46 4.508 9.707 -0.044 1.00 0.00 C ATOM 666 C ILE A 46 4.551 8.712 1.116 1.00 0.00 C ATOM 667 O ILE A 46 4.229 9.040 2.241 1.00 0.00 O ATOM 668 CB ILE A 46 5.936 10.208 -0.341 1.00 0.00 C ATOM 669 CG1 ILE A 46 6.011 10.839 -1.740 1.00 0.00 C ATOM 670 CG2 ILE A 46 6.930 9.045 -0.264 1.00 0.00 C ATOM 671 CD1 ILE A 46 6.001 12.360 -1.605 1.00 0.00 C ATOM 0 H ILE A 46 3.657 11.104 1.330 1.00 0.00 H new ATOM 0 HA ILE A 46 4.102 9.223 -0.932 1.00 0.00 H new ATOM 0 HB ILE A 46 6.191 10.961 0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.917 10.513 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.167 10.510 -2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.935 9.411 -0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.905 8.610 0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.659 8.285 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.054 12.813 -2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.082 12.675 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.859 12.678 -1.014 1.00 0.00 H new ATOM 683 N CYS A 47 4.954 7.503 0.850 1.00 0.00 N ATOM 684 CA CYS A 47 5.024 6.493 1.950 1.00 0.00 C ATOM 685 C CYS A 47 6.052 5.413 1.602 1.00 0.00 C ATOM 686 O CYS A 47 6.420 5.240 0.459 1.00 0.00 O ATOM 687 CB CYS A 47 3.646 5.857 2.166 1.00 0.00 C ATOM 688 SG CYS A 47 3.240 4.774 0.776 1.00 0.00 S ATOM 0 H CYS A 47 5.236 7.168 -0.071 1.00 0.00 H new ATOM 0 HA CYS A 47 5.331 6.991 2.870 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.641 5.287 3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.889 6.635 2.265 1.00 0.00 H new ATOM 693 N SER A 48 6.524 4.694 2.588 1.00 0.00 N ATOM 694 CA SER A 48 7.536 3.631 2.322 1.00 0.00 C ATOM 695 C SER A 48 6.943 2.256 2.634 1.00 0.00 C ATOM 696 O SER A 48 5.983 2.129 3.366 1.00 0.00 O ATOM 697 CB SER A 48 8.768 3.866 3.195 1.00 0.00 C ATOM 698 OG SER A 48 9.582 4.868 2.598 1.00 0.00 O ATOM 0 H SER A 48 6.252 4.798 3.565 1.00 0.00 H new ATOM 0 HA SER A 48 7.823 3.667 1.271 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.466 4.175 4.196 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.332 2.940 3.305 1.00 0.00 H new ATOM 0 HG SER A 48 10.373 5.023 3.156 1.00 0.00 H new ATOM 704 N LEU A 49 7.518 1.227 2.076 1.00 0.00 N ATOM 705 CA LEU A 49 7.008 -0.152 2.315 1.00 0.00 C ATOM 706 C LEU A 49 6.594 -0.318 3.767 1.00 0.00 C ATOM 707 O LEU A 49 5.640 -0.998 4.080 1.00 0.00 O ATOM 708 CB LEU A 49 8.117 -1.161 2.022 1.00 0.00 C ATOM 709 CG LEU A 49 8.398 -1.290 0.517 1.00 0.00 C ATOM 710 CD1 LEU A 49 7.205 -0.822 -0.326 1.00 0.00 C ATOM 711 CD2 LEU A 49 9.633 -0.460 0.155 1.00 0.00 C ATOM 0 H LEU A 49 8.328 1.284 1.458 1.00 0.00 H new ATOM 0 HA LEU A 49 6.150 -0.320 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.029 -0.856 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.836 -2.135 2.423 1.00 0.00 H new ATOM 0 HG LEU A 49 8.572 -2.343 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.443 -0.929 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.331 -1.428 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.992 0.224 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.833 -0.551 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.454 0.586 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.493 -0.823 0.717 1.00 0.00 H new ATOM 723 N TYR A 50 7.314 0.282 4.654 1.00 0.00 N ATOM 724 CA TYR A 50 6.974 0.143 6.095 1.00 0.00 C ATOM 725 C TYR A 50 5.506 0.512 6.293 1.00 0.00 C ATOM 726 O TYR A 50 4.784 -0.125 7.034 1.00 0.00 O ATOM 727 CB TYR A 50 7.909 1.030 6.941 1.00 0.00 C ATOM 728 CG TYR A 50 7.283 2.372 7.247 1.00 0.00 C ATOM 729 CD1 TYR A 50 7.113 3.318 6.229 1.00 0.00 C ATOM 730 CD2 TYR A 50 6.886 2.674 8.558 1.00 0.00 C ATOM 731 CE1 TYR A 50 6.546 4.566 6.520 1.00 0.00 C ATOM 732 CE2 TYR A 50 6.319 3.921 8.847 1.00 0.00 C ATOM 733 CZ TYR A 50 6.147 4.868 7.829 1.00 0.00 C ATOM 734 OH TYR A 50 5.590 6.096 8.116 1.00 0.00 O ATOM 0 H TYR A 50 8.126 0.865 4.451 1.00 0.00 H new ATOM 0 HA TYR A 50 7.117 -0.886 6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.149 0.520 7.874 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.848 1.180 6.409 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.419 3.086 5.220 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.018 1.945 9.344 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.416 5.296 5.735 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.014 4.153 9.857 1.00 0.00 H new ATOM 0 HH TYR A 50 5.369 6.140 9.070 1.00 0.00 H new ATOM 744 N GLN A 51 5.056 1.513 5.606 1.00 0.00 N ATOM 745 CA GLN A 51 3.627 1.911 5.723 1.00 0.00 C ATOM 746 C GLN A 51 2.773 0.873 5.004 1.00 0.00 C ATOM 747 O GLN A 51 1.861 0.299 5.566 1.00 0.00 O ATOM 748 CB GLN A 51 3.421 3.270 5.061 1.00 0.00 C ATOM 749 CG GLN A 51 3.759 4.371 6.057 1.00 0.00 C ATOM 750 CD GLN A 51 2.478 5.102 6.466 1.00 0.00 C ATOM 751 OE1 GLN A 51 1.473 5.014 5.791 1.00 0.00 O ATOM 752 NE2 GLN A 51 2.473 5.823 7.554 1.00 0.00 N ATOM 0 H GLN A 51 5.614 2.078 4.965 1.00 0.00 H new ATOM 0 HA GLN A 51 3.344 1.973 6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.053 3.357 4.177 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.389 3.371 4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.243 3.945 6.936 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.465 5.073 5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.318 5.897 8.121 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.624 6.313 7.837 1.00 0.00 H new ATOM 761 N LEU A 52 3.075 0.626 3.763 1.00 0.00 N ATOM 762 CA LEU A 52 2.297 -0.381 2.989 1.00 0.00 C ATOM 763 C LEU A 52 2.498 -1.759 3.618 1.00 0.00 C ATOM 764 O LEU A 52 1.797 -2.702 3.307 1.00 0.00 O ATOM 765 CB LEU A 52 2.791 -0.403 1.541 1.00 0.00 C ATOM 766 CG LEU A 52 2.722 1.007 0.955 1.00 0.00 C ATOM 767 CD1 LEU A 52 4.119 1.445 0.508 1.00 0.00 C ATOM 768 CD2 LEU A 52 1.780 1.011 -0.251 1.00 0.00 C ATOM 0 H LEU A 52 3.830 1.079 3.248 1.00 0.00 H new ATOM 0 HA LEU A 52 1.239 -0.121 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.815 -0.775 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.181 -1.085 0.948 1.00 0.00 H new ATOM 0 HG LEU A 52 2.350 1.696 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.069 2.451 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.793 1.441 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.491 0.756 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.730 2.016 -0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.154 0.321 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.784 0.699 0.064 1.00 0.00 H new ATOM 780 N GLU A 53 3.446 -1.883 4.505 1.00 0.00 N ATOM 781 CA GLU A 53 3.682 -3.200 5.154 1.00 0.00 C ATOM 782 C GLU A 53 2.571 -3.449 6.168 1.00 0.00 C ATOM 783 O GLU A 53 2.210 -4.573 6.456 1.00 0.00 O ATOM 784 CB GLU A 53 5.040 -3.187 5.863 1.00 0.00 C ATOM 785 CG GLU A 53 5.433 -4.615 6.245 1.00 0.00 C ATOM 786 CD GLU A 53 6.953 -4.765 6.172 1.00 0.00 C ATOM 787 OE1 GLU A 53 7.575 -3.970 5.486 1.00 0.00 O ATOM 788 OE2 GLU A 53 7.471 -5.673 6.802 1.00 0.00 O ATOM 0 H GLU A 53 4.065 -1.131 4.807 1.00 0.00 H new ATOM 0 HA GLU A 53 3.683 -3.992 4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.798 -2.753 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.990 -2.562 6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.083 -4.842 7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.954 -5.327 5.573 1.00 0.00 H new ATOM 795 N ASN A 54 2.021 -2.397 6.699 1.00 0.00 N ATOM 796 CA ASN A 54 0.919 -2.545 7.687 1.00 0.00 C ATOM 797 C ASN A 54 -0.422 -2.536 6.951 1.00 0.00 C ATOM 798 O ASN A 54 -1.456 -2.816 7.525 1.00 0.00 O ATOM 799 CB ASN A 54 0.964 -1.381 8.680 1.00 0.00 C ATOM 800 CG ASN A 54 2.082 -1.621 9.698 1.00 0.00 C ATOM 801 OD1 ASN A 54 1.887 -2.307 10.681 1.00 0.00 O ATOM 802 ND2 ASN A 54 3.252 -1.079 9.503 1.00 0.00 N ATOM 0 H ASN A 54 2.288 -1.435 6.491 1.00 0.00 H new ATOM 0 HA ASN A 54 1.034 -3.485 8.226 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.135 -0.444 8.150 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.006 -1.288 9.191 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.003 -1.231 10.176 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.416 -0.503 8.677 1.00 0.00 H new ATOM 809 N TYR A 55 -0.416 -2.214 5.685 1.00 0.00 N ATOM 810 CA TYR A 55 -1.692 -2.186 4.922 1.00 0.00 C ATOM 811 C TYR A 55 -1.931 -3.576 4.323 1.00 0.00 C ATOM 812 O TYR A 55 -2.892 -3.808 3.619 1.00 0.00 O ATOM 813 CB TYR A 55 -1.572 -1.153 3.801 1.00 0.00 C ATOM 814 CG TYR A 55 -1.667 0.227 4.405 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.648 0.505 5.363 1.00 0.00 C ATOM 816 CD2 TYR A 55 -0.756 1.223 4.024 1.00 0.00 C ATOM 817 CE1 TYR A 55 -2.721 1.780 5.940 1.00 0.00 C ATOM 818 CE2 TYR A 55 -0.831 2.498 4.596 1.00 0.00 C ATOM 819 CZ TYR A 55 -1.811 2.777 5.557 1.00 0.00 C ATOM 820 OH TYR A 55 -1.884 4.032 6.127 1.00 0.00 O ATOM 0 H TYR A 55 0.417 -1.970 5.149 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.524 -1.919 5.573 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.624 -1.272 3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.363 -1.299 3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.348 -0.262 5.658 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.004 1.006 3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.478 1.995 6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.134 3.266 4.297 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.181 4.603 5.752 1.00 0.00 H new ATOM 830 N CYS A 56 -1.044 -4.498 4.598 1.00 0.00 N ATOM 831 CA CYS A 56 -1.184 -5.875 4.054 1.00 0.00 C ATOM 832 C CYS A 56 -1.979 -6.748 5.027 1.00 0.00 C ATOM 833 O CYS A 56 -2.612 -6.258 5.938 1.00 0.00 O ATOM 834 CB CYS A 56 0.208 -6.470 3.867 1.00 0.00 C ATOM 835 SG CYS A 56 0.694 -6.309 2.139 1.00 0.00 S ATOM 0 H CYS A 56 -0.221 -4.350 5.183 1.00 0.00 H new ATOM 0 HA CYS A 56 -1.712 -5.837 3.101 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.925 -5.957 4.508 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.211 -7.519 4.162 1.00 0.00 H new ATOM 840 N ASN A 57 -1.943 -8.043 4.831 1.00 0.00 N ATOM 841 CA ASN A 57 -2.686 -8.969 5.734 1.00 0.00 C ATOM 842 C ASN A 57 -2.584 -8.480 7.181 1.00 0.00 C ATOM 843 O ASN A 57 -1.564 -7.903 7.521 1.00 0.00 O ATOM 844 CB ASN A 57 -2.082 -10.371 5.630 1.00 0.00 C ATOM 845 CG ASN A 57 -3.046 -11.389 6.241 1.00 0.00 C ATOM 846 OD1 ASN A 57 -4.077 -11.024 6.773 1.00 0.00 O ATOM 847 ND2 ASN A 57 -2.756 -12.660 6.186 1.00 0.00 N ATOM 848 OXT ASN A 57 -3.528 -8.691 7.925 1.00 0.00 O ATOM 0 H ASN A 57 -1.427 -8.499 4.079 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.734 -8.995 5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.889 -10.619 4.586 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.124 -10.405 6.149 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.394 -13.347 6.589 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.892 -12.967 5.740 1.00 0.00 H new TER 855 ASN A 57