USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=11 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 48 SER OG : rot 180:sc= 0.0597 USER MOD Set 1.2: A 51 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.5) USER MOD Set 2.1: A 1 PHE N :NH3+ -159:sc= -7.12! (180deg=-0.282) USER MOD Set 2.2: A 4 GLN : amide:sc= -6.2! C(o=-13!,f=-4.2!) USER MOD Single : A 3 ASN : amide:sc= -0.969 K(o=-0.97,f=-3.8!) USER MOD Single : A 5 HIS : no HD1:sc= -0.201 K(o=-0.2,f=-1.3!) 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 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 175:sc= -5.93! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0496 USER MOD Single : A 41 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.81) USER MOD Single : A 44 HIS : no HE2:sc= 0.112 K(o=0.11,f=-4.9!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.682 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.35) USER MOD Single : A 55 TYR OH : rot 102:sc= 0.532 USER MOD Single : A 57 ASN : amide:sc= -0.642 X(o=-0.64,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -5.545 -12.353 2.885 1.00 0.00 N ATOM 2 CA PHE A 1 -5.357 -11.564 1.635 1.00 0.00 C ATOM 3 C PHE A 1 -6.283 -12.128 0.555 1.00 0.00 C ATOM 4 O PHE A 1 -5.980 -12.087 -0.621 1.00 0.00 O ATOM 5 CB PHE A 1 -3.894 -11.696 1.184 1.00 0.00 C ATOM 6 CG PHE A 1 -3.460 -10.604 0.234 1.00 0.00 C ATOM 7 CD1 PHE A 1 -4.368 -9.741 -0.393 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.094 -10.467 -0.016 1.00 0.00 C ATOM 9 CE1 PHE A 1 -3.898 -8.760 -1.258 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.629 -9.483 -0.877 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.527 -8.628 -1.499 1.00 0.00 C ATOM 0 H1 PHE A 1 -5.218 -11.795 3.700 1.00 0.00 H new ATOM 0 H2 PHE A 1 -6.553 -12.581 3.003 1.00 0.00 H new ATOM 0 H3 PHE A 1 -4.995 -13.234 2.826 1.00 0.00 H new ATOM 0 HA PHE A 1 -5.593 -10.514 1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.248 -11.682 2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -3.756 -12.664 0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.427 -9.837 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.392 -11.133 0.465 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -4.596 -8.096 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.570 -9.383 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.167 -7.861 -2.169 1.00 0.00 H new ATOM 23 N VAL A 2 -7.400 -12.680 0.952 1.00 0.00 N ATOM 24 CA VAL A 2 -8.348 -13.282 -0.036 1.00 0.00 C ATOM 25 C VAL A 2 -9.539 -12.344 -0.284 1.00 0.00 C ATOM 26 O VAL A 2 -9.501 -11.494 -1.152 1.00 0.00 O ATOM 27 CB VAL A 2 -8.850 -14.616 0.545 1.00 0.00 C ATOM 28 CG1 VAL A 2 -7.846 -15.731 0.229 1.00 0.00 C ATOM 29 CG2 VAL A 2 -8.998 -14.488 2.073 1.00 0.00 C ATOM 0 H VAL A 2 -7.699 -12.741 1.925 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.840 -13.441 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.815 -14.859 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.206 -16.673 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.737 -15.827 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.880 -15.487 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.354 -15.433 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.032 -14.241 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.714 -13.699 2.304 1.00 0.00 H new ATOM 39 N ASN A 3 -10.600 -12.505 0.465 1.00 0.00 N ATOM 40 CA ASN A 3 -11.812 -11.645 0.279 1.00 0.00 C ATOM 41 C ASN A 3 -11.847 -10.553 1.346 1.00 0.00 C ATOM 42 O ASN A 3 -12.895 -10.051 1.699 1.00 0.00 O ATOM 43 CB ASN A 3 -13.073 -12.505 0.397 1.00 0.00 C ATOM 44 CG ASN A 3 -12.925 -13.755 -0.467 1.00 0.00 C ATOM 45 OD1 ASN A 3 -12.122 -14.619 -0.177 1.00 0.00 O ATOM 46 ND2 ASN A 3 -13.675 -13.890 -1.522 1.00 0.00 N ATOM 0 H ASN A 3 -10.681 -13.202 1.205 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.771 -11.184 -0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.237 -12.787 1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -13.946 -11.934 0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -13.589 -14.722 -2.106 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -14.349 -13.164 -1.765 1.00 0.00 H new ATOM 53 N GLN A 4 -10.712 -10.188 1.867 1.00 0.00 N ATOM 54 CA GLN A 4 -10.668 -9.132 2.923 1.00 0.00 C ATOM 55 C GLN A 4 -10.362 -7.776 2.282 1.00 0.00 C ATOM 56 O GLN A 4 -9.838 -7.691 1.189 1.00 0.00 O ATOM 57 CB GLN A 4 -9.584 -9.491 3.958 1.00 0.00 C ATOM 58 CG GLN A 4 -8.466 -10.305 3.292 1.00 0.00 C ATOM 59 CD GLN A 4 -7.378 -10.620 4.318 1.00 0.00 C ATOM 60 OE1 GLN A 4 -6.706 -9.732 4.805 1.00 0.00 O ATOM 61 NE2 GLN A 4 -7.176 -11.861 4.668 1.00 0.00 N ATOM 0 H GLN A 4 -9.805 -10.576 1.608 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.634 -9.072 3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.171 -8.581 4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.025 -10.064 4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.871 -11.230 2.882 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.042 -9.745 2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.741 -12.605 4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.453 -12.087 5.351 1.00 0.00 H new ATOM 70 N HIS A 5 -10.706 -6.715 2.961 1.00 0.00 N ATOM 71 CA HIS A 5 -10.467 -5.347 2.416 1.00 0.00 C ATOM 72 C HIS A 5 -9.109 -4.819 2.886 1.00 0.00 C ATOM 73 O HIS A 5 -8.747 -4.938 4.040 1.00 0.00 O ATOM 74 CB HIS A 5 -11.573 -4.412 2.915 1.00 0.00 C ATOM 75 CG HIS A 5 -11.834 -4.669 4.374 1.00 0.00 C ATOM 76 ND1 HIS A 5 -12.816 -5.551 4.808 1.00 0.00 N ATOM 77 CD2 HIS A 5 -11.255 -4.164 5.513 1.00 0.00 C ATOM 78 CE1 HIS A 5 -12.799 -5.549 6.154 1.00 0.00 C ATOM 79 NE2 HIS A 5 -11.868 -4.722 6.629 1.00 0.00 N ATOM 0 H HIS A 5 -11.147 -6.738 3.880 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.472 -5.389 1.327 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.279 -3.373 2.766 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.485 -4.571 2.339 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -10.449 -3.445 5.538 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -13.457 -6.143 6.771 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.650 -4.537 7.608 1.00 0.00 H new ATOM 87 N LEU A 6 -8.361 -4.226 1.994 1.00 0.00 N ATOM 88 CA LEU A 6 -7.026 -3.668 2.364 1.00 0.00 C ATOM 89 C LEU A 6 -7.183 -2.168 2.639 1.00 0.00 C ATOM 90 O LEU A 6 -7.691 -1.428 1.819 1.00 0.00 O ATOM 91 CB LEU A 6 -6.043 -3.875 1.191 1.00 0.00 C ATOM 92 CG LEU A 6 -5.265 -5.213 1.307 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.110 -6.331 1.938 1.00 0.00 C ATOM 94 CD2 LEU A 6 -4.832 -5.656 -0.094 1.00 0.00 C ATOM 0 H LEU A 6 -8.620 -4.103 1.015 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.641 -4.172 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.594 -3.857 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.335 -3.047 1.162 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.405 -5.040 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.519 -7.245 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.417 -6.033 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.994 -6.509 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.284 -6.596 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.713 -5.795 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.190 -4.893 -0.535 1.00 0.00 H new ATOM 106 N CYS A 7 -6.743 -1.714 3.782 1.00 0.00 N ATOM 107 CA CYS A 7 -6.855 -0.262 4.111 1.00 0.00 C ATOM 108 C CYS A 7 -5.605 0.180 4.872 1.00 0.00 C ATOM 109 O CYS A 7 -5.252 -0.383 5.889 1.00 0.00 O ATOM 110 CB CYS A 7 -8.091 -0.030 4.982 1.00 0.00 C ATOM 111 SG CYS A 7 -9.574 -0.531 4.073 1.00 0.00 S ATOM 0 H CYS A 7 -6.309 -2.288 4.505 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.947 0.316 3.191 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.009 -0.600 5.907 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.160 1.022 5.261 1.00 0.00 H new ATOM 116 N GLY A 8 -4.938 1.191 4.389 1.00 0.00 N ATOM 117 CA GLY A 8 -3.711 1.682 5.085 1.00 0.00 C ATOM 118 C GLY A 8 -2.568 0.673 4.926 1.00 0.00 C ATOM 119 O GLY A 8 -2.466 -0.018 3.932 1.00 0.00 O ATOM 0 H GLY A 8 -5.188 1.700 3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.413 2.647 4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.923 1.838 6.143 1.00 0.00 H new ATOM 123 N SER A 9 -1.702 0.593 5.903 1.00 0.00 N ATOM 124 CA SER A 9 -0.552 -0.358 5.827 1.00 0.00 C ATOM 125 C SER A 9 -1.023 -1.723 5.322 1.00 0.00 C ATOM 126 O SER A 9 -0.287 -2.436 4.669 1.00 0.00 O ATOM 127 CB SER A 9 0.063 -0.520 7.217 1.00 0.00 C ATOM 128 OG SER A 9 0.698 0.695 7.594 1.00 0.00 O ATOM 0 H SER A 9 -1.742 1.150 6.757 1.00 0.00 H new ATOM 0 HA SER A 9 0.190 0.040 5.135 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.709 -0.780 7.941 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.786 -1.336 7.215 1.00 0.00 H new ATOM 0 HG SER A 9 1.092 0.595 8.486 1.00 0.00 H new ATOM 134 N ASP A 10 -2.241 -2.100 5.612 1.00 0.00 N ATOM 135 CA ASP A 10 -2.737 -3.422 5.136 1.00 0.00 C ATOM 136 C ASP A 10 -2.427 -3.558 3.645 1.00 0.00 C ATOM 137 O ASP A 10 -1.863 -4.538 3.202 1.00 0.00 O ATOM 138 CB ASP A 10 -4.251 -3.509 5.363 1.00 0.00 C ATOM 139 CG ASP A 10 -4.536 -3.859 6.826 1.00 0.00 C ATOM 140 OD1 ASP A 10 -4.371 -2.991 7.666 1.00 0.00 O ATOM 141 OD2 ASP A 10 -4.915 -4.991 7.080 1.00 0.00 O ATOM 0 H ASP A 10 -2.909 -1.552 6.155 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.247 -4.226 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.721 -2.559 5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.684 -4.265 4.708 1.00 0.00 H new ATOM 146 N LEU A 11 -2.790 -2.575 2.870 1.00 0.00 N ATOM 147 CA LEU A 11 -2.515 -2.639 1.410 1.00 0.00 C ATOM 148 C LEU A 11 -1.017 -2.866 1.187 1.00 0.00 C ATOM 149 O LEU A 11 -0.613 -3.781 0.497 1.00 0.00 O ATOM 150 CB LEU A 11 -2.939 -1.317 0.747 1.00 0.00 C ATOM 151 CG LEU A 11 -2.483 -1.286 -0.719 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.921 -2.553 -1.437 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.109 -0.086 -1.433 1.00 0.00 C ATOM 0 H LEU A 11 -3.266 -1.730 3.186 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.079 -3.461 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.022 -1.206 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.506 -0.476 1.288 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.396 -1.210 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.590 -2.516 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.479 -3.420 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.008 -2.632 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.782 -0.070 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.195 -0.167 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.797 0.834 -0.940 1.00 0.00 H new ATOM 165 N VAL A 12 -0.192 -2.033 1.758 1.00 0.00 N ATOM 166 CA VAL A 12 1.280 -2.189 1.574 1.00 0.00 C ATOM 167 C VAL A 12 1.684 -3.646 1.800 1.00 0.00 C ATOM 168 O VAL A 12 2.124 -4.325 0.893 1.00 0.00 O ATOM 169 CB VAL A 12 2.018 -1.304 2.581 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.512 -1.267 2.241 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.451 0.117 2.526 1.00 0.00 C ATOM 0 H VAL A 12 -0.474 -1.248 2.346 1.00 0.00 H new ATOM 0 HA VAL A 12 1.543 -1.894 0.558 1.00 0.00 H new ATOM 0 HB VAL A 12 1.884 -1.713 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.033 -0.636 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.920 -2.277 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.647 -0.862 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.977 0.747 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.582 0.522 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.389 0.095 2.773 1.00 0.00 H new ATOM 181 N GLU A 13 1.548 -4.134 3.004 1.00 0.00 N ATOM 182 CA GLU A 13 1.935 -5.547 3.281 1.00 0.00 C ATOM 183 C GLU A 13 1.339 -6.454 2.208 1.00 0.00 C ATOM 184 O GLU A 13 1.862 -7.507 1.913 1.00 0.00 O ATOM 185 CB GLU A 13 1.404 -5.967 4.651 1.00 0.00 C ATOM 186 CG GLU A 13 2.068 -5.121 5.739 1.00 0.00 C ATOM 187 CD GLU A 13 1.707 -5.683 7.116 1.00 0.00 C ATOM 188 OE1 GLU A 13 0.526 -5.759 7.413 1.00 0.00 O ATOM 189 OE2 GLU A 13 2.619 -6.029 7.849 1.00 0.00 O ATOM 0 H GLU A 13 1.187 -3.617 3.805 1.00 0.00 H new ATOM 0 HA GLU A 13 3.022 -5.633 3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.322 -5.841 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.607 -7.024 4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.150 -5.123 5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.739 -4.085 5.660 1.00 0.00 H new ATOM 196 N ALA A 14 0.248 -6.048 1.621 1.00 0.00 N ATOM 197 CA ALA A 14 -0.381 -6.884 0.564 1.00 0.00 C ATOM 198 C ALA A 14 0.356 -6.658 -0.763 1.00 0.00 C ATOM 199 O ALA A 14 0.831 -7.591 -1.376 1.00 0.00 O ATOM 200 CB ALA A 14 -1.874 -6.516 0.451 1.00 0.00 C ATOM 0 H ALA A 14 -0.234 -5.173 1.828 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.308 -7.942 0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.341 -7.125 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.367 -6.700 1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.970 -5.462 0.190 1.00 0.00 H new ATOM 206 N LEU A 15 0.477 -5.438 -1.217 1.00 0.00 N ATOM 207 CA LEU A 15 1.204 -5.225 -2.501 1.00 0.00 C ATOM 208 C LEU A 15 2.562 -5.928 -2.416 1.00 0.00 C ATOM 209 O LEU A 15 3.074 -6.433 -3.394 1.00 0.00 O ATOM 210 CB LEU A 15 1.438 -3.730 -2.762 1.00 0.00 C ATOM 211 CG LEU A 15 0.142 -3.047 -3.259 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.196 -1.540 -2.964 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.006 -3.229 -4.775 1.00 0.00 C ATOM 0 H LEU A 15 0.113 -4.598 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 15 0.603 -5.630 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.781 -3.246 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.227 -3.605 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.702 -3.504 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.720 -1.067 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.295 -1.383 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.052 -1.100 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.922 -2.744 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.849 -2.781 -5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.051 -4.292 -5.011 1.00 0.00 H new ATOM 225 N TYR A 16 3.151 -5.954 -1.250 1.00 0.00 N ATOM 226 CA TYR A 16 4.477 -6.614 -1.101 1.00 0.00 C ATOM 227 C TYR A 16 4.440 -8.024 -1.705 1.00 0.00 C ATOM 228 O TYR A 16 5.281 -8.373 -2.507 1.00 0.00 O ATOM 229 CB TYR A 16 4.853 -6.672 0.379 1.00 0.00 C ATOM 230 CG TYR A 16 6.166 -7.405 0.540 1.00 0.00 C ATOM 231 CD1 TYR A 16 7.335 -6.882 -0.028 1.00 0.00 C ATOM 232 CD2 TYR A 16 6.215 -8.604 1.256 1.00 0.00 C ATOM 233 CE1 TYR A 16 8.550 -7.561 0.121 1.00 0.00 C ATOM 234 CE2 TYR A 16 7.429 -9.284 1.406 1.00 0.00 C ATOM 235 CZ TYR A 16 8.598 -8.762 0.838 1.00 0.00 C ATOM 236 OH TYR A 16 9.796 -9.431 0.985 1.00 0.00 O ATOM 0 H TYR A 16 2.770 -5.547 -0.396 1.00 0.00 H new ATOM 0 HA TYR A 16 5.230 -6.036 -1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.936 -5.663 0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.070 -7.178 0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.299 -5.955 -0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.314 -9.007 1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.451 -7.158 -0.318 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.464 -10.211 1.959 1.00 0.00 H new ATOM 0 HH TYR A 16 9.653 -10.246 1.510 1.00 0.00 H new ATOM 246 N LEU A 17 3.478 -8.839 -1.353 1.00 0.00 N ATOM 247 CA LEU A 17 3.430 -10.208 -1.950 1.00 0.00 C ATOM 248 C LEU A 17 3.118 -10.081 -3.437 1.00 0.00 C ATOM 249 O LEU A 17 3.788 -10.644 -4.281 1.00 0.00 O ATOM 250 CB LEU A 17 2.318 -11.049 -1.317 1.00 0.00 C ATOM 251 CG LEU A 17 2.532 -11.211 0.196 1.00 0.00 C ATOM 252 CD1 LEU A 17 2.229 -9.891 0.927 1.00 0.00 C ATOM 253 CD2 LEU A 17 1.600 -12.321 0.712 1.00 0.00 C ATOM 0 H LEU A 17 2.735 -8.621 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 17 4.392 -10.690 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.353 -10.577 -1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.288 -12.031 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 17 3.571 -11.478 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.386 -10.024 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.893 -9.110 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.194 -9.604 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.742 -12.446 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.564 -12.048 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.833 -13.257 0.204 1.00 0.00 H new ATOM 265 N VAL A 18 2.090 -9.348 -3.755 1.00 0.00 N ATOM 266 CA VAL A 18 1.697 -9.173 -5.179 1.00 0.00 C ATOM 267 C VAL A 18 2.915 -8.758 -6.001 1.00 0.00 C ATOM 268 O VAL A 18 3.294 -9.413 -6.952 1.00 0.00 O ATOM 269 CB VAL A 18 0.634 -8.072 -5.266 1.00 0.00 C ATOM 270 CG1 VAL A 18 0.126 -7.939 -6.693 1.00 0.00 C ATOM 271 CG2 VAL A 18 -0.544 -8.410 -4.356 1.00 0.00 C ATOM 0 H VAL A 18 1.500 -8.858 -3.083 1.00 0.00 H new ATOM 0 HA VAL A 18 1.301 -10.111 -5.568 1.00 0.00 H new ATOM 0 HB VAL A 18 1.089 -7.133 -4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.628 -7.153 -6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.956 -7.684 -7.352 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.314 -8.884 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.294 -7.622 -4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.984 -9.358 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.196 -8.492 -3.326 1.00 0.00 H new ATOM 281 N CYS A 19 3.513 -7.660 -5.651 1.00 0.00 N ATOM 282 CA CYS A 19 4.691 -7.171 -6.414 1.00 0.00 C ATOM 283 C CYS A 19 5.928 -7.989 -6.043 1.00 0.00 C ATOM 284 O CYS A 19 6.877 -8.077 -6.795 1.00 0.00 O ATOM 285 CB CYS A 19 4.919 -5.703 -6.064 1.00 0.00 C ATOM 286 SG CYS A 19 3.323 -4.856 -5.946 1.00 0.00 S ATOM 0 H CYS A 19 3.235 -7.075 -4.863 1.00 0.00 H new ATOM 0 HA CYS A 19 4.511 -7.277 -7.484 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.456 -5.623 -5.119 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.539 -5.229 -6.825 1.00 0.00 H new ATOM 291 N GLY A 20 5.920 -8.588 -4.893 1.00 0.00 N ATOM 292 CA GLY A 20 7.092 -9.406 -4.472 1.00 0.00 C ATOM 293 C GLY A 20 8.385 -8.613 -4.676 1.00 0.00 C ATOM 294 O GLY A 20 8.555 -7.534 -4.145 1.00 0.00 O ATOM 0 H GLY A 20 5.153 -8.549 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.991 -9.689 -3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.127 -10.330 -5.050 1.00 0.00 H new ATOM 298 N GLU A 21 9.303 -9.148 -5.434 1.00 0.00 N ATOM 299 CA GLU A 21 10.593 -8.437 -5.666 1.00 0.00 C ATOM 300 C GLU A 21 10.410 -7.350 -6.723 1.00 0.00 C ATOM 301 O GLU A 21 11.243 -6.480 -6.880 1.00 0.00 O ATOM 302 CB GLU A 21 11.639 -9.437 -6.155 1.00 0.00 C ATOM 303 CG GLU A 21 11.999 -10.391 -5.017 1.00 0.00 C ATOM 304 CD GLU A 21 13.119 -11.331 -5.469 1.00 0.00 C ATOM 305 OE1 GLU A 21 14.260 -10.900 -5.475 1.00 0.00 O ATOM 306 OE2 GLU A 21 12.815 -12.465 -5.802 1.00 0.00 O ATOM 0 H GLU A 21 9.215 -10.049 -5.904 1.00 0.00 H new ATOM 0 HA GLU A 21 10.920 -7.980 -4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.252 -9.998 -7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.529 -8.910 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.317 -9.825 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.123 -10.968 -4.722 1.00 0.00 H new ATOM 313 N ARG A 22 9.335 -7.392 -7.454 1.00 0.00 N ATOM 314 CA ARG A 22 9.119 -6.358 -8.501 1.00 0.00 C ATOM 315 C ARG A 22 9.198 -4.971 -7.866 1.00 0.00 C ATOM 316 O ARG A 22 9.554 -4.003 -8.507 1.00 0.00 O ATOM 317 CB ARG A 22 7.738 -6.537 -9.138 1.00 0.00 C ATOM 318 CG ARG A 22 7.595 -7.961 -9.683 1.00 0.00 C ATOM 319 CD ARG A 22 6.186 -8.149 -10.257 1.00 0.00 C ATOM 320 NE ARG A 22 6.110 -7.518 -11.604 1.00 0.00 N ATOM 321 CZ ARG A 22 5.120 -7.808 -12.403 1.00 0.00 C ATOM 322 NH1 ARG A 22 4.198 -8.649 -12.022 1.00 0.00 N ATOM 323 NH2 ARG A 22 5.051 -7.256 -13.583 1.00 0.00 N ATOM 0 H ARG A 22 8.599 -8.094 -7.373 1.00 0.00 H new ATOM 0 HA ARG A 22 9.887 -6.462 -9.268 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.960 -6.341 -8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.603 -5.815 -9.943 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.342 -8.143 -10.456 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.776 -8.686 -8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.949 -9.211 -10.327 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.448 -7.701 -9.592 1.00 0.00 H new ATOM 0 HE ARG A 22 6.831 -6.860 -11.901 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.251 -9.080 -11.099 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.424 -8.875 -12.647 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.771 -6.598 -13.881 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.277 -7.483 -14.208 1.00 0.00 H new ATOM 337 N GLY A 23 8.855 -4.862 -6.612 1.00 0.00 N ATOM 338 CA GLY A 23 8.897 -3.533 -5.947 1.00 0.00 C ATOM 339 C GLY A 23 7.699 -2.717 -6.424 1.00 0.00 C ATOM 340 O GLY A 23 7.172 -2.951 -7.494 1.00 0.00 O ATOM 0 H GLY A 23 8.548 -5.635 -6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.869 -3.650 -4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.827 -3.018 -6.188 1.00 0.00 H new ATOM 344 N PHE A 24 7.248 -1.771 -5.648 1.00 0.00 N ATOM 345 CA PHE A 24 6.075 -0.969 -6.080 1.00 0.00 C ATOM 346 C PHE A 24 6.066 0.382 -5.376 1.00 0.00 C ATOM 347 O PHE A 24 6.855 0.649 -4.491 1.00 0.00 O ATOM 348 CB PHE A 24 4.799 -1.732 -5.740 1.00 0.00 C ATOM 349 CG PHE A 24 4.614 -1.790 -4.239 1.00 0.00 C ATOM 350 CD1 PHE A 24 5.168 -2.846 -3.508 1.00 0.00 C ATOM 351 CD2 PHE A 24 3.881 -0.792 -3.581 1.00 0.00 C ATOM 352 CE1 PHE A 24 4.989 -2.907 -2.122 1.00 0.00 C ATOM 353 CE2 PHE A 24 3.704 -0.856 -2.194 1.00 0.00 C ATOM 354 CZ PHE A 24 4.256 -1.913 -1.466 1.00 0.00 C ATOM 0 H PHE A 24 7.639 -1.521 -4.740 1.00 0.00 H new ATOM 0 HA PHE A 24 6.133 -0.800 -7.155 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.940 -1.245 -6.202 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.850 -2.742 -6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.734 -3.614 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.454 0.025 -4.144 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.417 -3.722 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.140 -0.088 -1.686 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.117 -1.962 -0.396 1.00 0.00 H new ATOM 364 N PHE A 25 5.165 1.232 -5.779 1.00 0.00 N ATOM 365 CA PHE A 25 5.049 2.590 -5.172 1.00 0.00 C ATOM 366 C PHE A 25 3.677 2.737 -4.519 1.00 0.00 C ATOM 367 O PHE A 25 2.673 2.333 -5.070 1.00 0.00 O ATOM 368 CB PHE A 25 5.181 3.640 -6.278 1.00 0.00 C ATOM 369 CG PHE A 25 4.186 3.333 -7.377 1.00 0.00 C ATOM 370 CD1 PHE A 25 2.851 3.745 -7.255 1.00 0.00 C ATOM 371 CD2 PHE A 25 4.597 2.630 -8.516 1.00 0.00 C ATOM 372 CE1 PHE A 25 1.929 3.453 -8.271 1.00 0.00 C ATOM 373 CE2 PHE A 25 3.677 2.339 -9.531 1.00 0.00 C ATOM 374 CZ PHE A 25 2.344 2.750 -9.409 1.00 0.00 C ATOM 0 H PHE A 25 4.489 1.040 -6.519 1.00 0.00 H new ATOM 0 HA PHE A 25 5.831 2.726 -4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.999 4.636 -5.874 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.195 3.639 -6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.532 4.288 -6.377 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.625 2.312 -8.612 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.901 3.770 -8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.996 1.797 -10.409 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.636 2.525 -10.193 1.00 0.00 H new ATOM 384 N TYR A 26 3.615 3.326 -3.358 1.00 0.00 N ATOM 385 CA TYR A 26 2.293 3.508 -2.703 1.00 0.00 C ATOM 386 C TYR A 26 1.590 4.682 -3.381 1.00 0.00 C ATOM 387 O TYR A 26 2.176 5.384 -4.181 1.00 0.00 O ATOM 388 CB TYR A 26 2.467 3.791 -1.203 1.00 0.00 C ATOM 389 CG TYR A 26 1.189 3.427 -0.474 1.00 0.00 C ATOM 390 CD1 TYR A 26 0.792 2.087 -0.399 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.398 4.423 0.116 1.00 0.00 C ATOM 392 CE1 TYR A 26 -0.391 1.746 0.267 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.784 4.078 0.781 1.00 0.00 C ATOM 394 CZ TYR A 26 -1.177 2.740 0.857 1.00 0.00 C ATOM 395 OH TYR A 26 -2.343 2.399 1.512 1.00 0.00 O ATOM 0 H TYR A 26 4.416 3.686 -2.839 1.00 0.00 H new ATOM 0 HA TYR A 26 1.700 2.599 -2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.302 3.214 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.703 4.843 -1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.397 1.317 -0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.701 5.458 0.057 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.697 0.712 0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.392 4.846 1.235 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.768 3.208 1.865 1.00 0.00 H new ATOM 405 N THR A 27 0.343 4.898 -3.089 1.00 0.00 N ATOM 406 CA THR A 27 -0.373 6.022 -3.745 1.00 0.00 C ATOM 407 C THR A 27 0.247 7.358 -3.325 1.00 0.00 C ATOM 408 O THR A 27 1.146 7.411 -2.509 1.00 0.00 O ATOM 409 CB THR A 27 -1.850 5.986 -3.364 1.00 0.00 C ATOM 410 OG1 THR A 27 -2.518 7.033 -4.037 1.00 0.00 O ATOM 411 CG2 THR A 27 -2.013 6.151 -1.850 1.00 0.00 C ATOM 0 H THR A 27 -0.209 4.350 -2.429 1.00 0.00 H new ATOM 0 HA THR A 27 -0.282 5.919 -4.826 1.00 0.00 H new ATOM 0 HB THR A 27 -2.278 5.026 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.481 6.971 -3.865 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.072 6.123 -1.593 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.494 5.341 -1.338 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.589 7.106 -1.540 1.00 0.00 H new ATOM 419 N ASP A 28 -0.214 8.436 -3.901 1.00 0.00 N ATOM 420 CA ASP A 28 0.355 9.775 -3.571 1.00 0.00 C ATOM 421 C ASP A 28 0.518 9.920 -2.029 1.00 0.00 C ATOM 422 O ASP A 28 -0.265 9.361 -1.289 1.00 0.00 O ATOM 423 CB ASP A 28 -0.599 10.867 -4.121 1.00 0.00 C ATOM 424 CG ASP A 28 0.145 11.798 -5.091 1.00 0.00 C ATOM 425 OD1 ASP A 28 0.371 11.389 -6.218 1.00 0.00 O ATOM 426 OD2 ASP A 28 0.476 12.901 -4.687 1.00 0.00 O ATOM 0 H ASP A 28 -0.965 8.446 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 28 1.338 9.886 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.440 10.399 -4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.010 11.447 -3.295 1.00 0.00 H new ATOM 431 N PRO A 29 1.522 10.669 -1.582 1.00 0.00 N ATOM 432 CA PRO A 29 1.762 10.884 -0.133 1.00 0.00 C ATOM 433 C PRO A 29 0.774 11.922 0.431 1.00 0.00 C ATOM 434 O PRO A 29 0.761 12.198 1.614 1.00 0.00 O ATOM 435 CB PRO A 29 3.191 11.458 -0.077 1.00 0.00 C ATOM 436 CG PRO A 29 3.477 12.048 -1.478 1.00 0.00 C ATOM 437 CD PRO A 29 2.509 11.354 -2.455 1.00 0.00 C ATOM 0 HA PRO A 29 1.636 9.970 0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.272 12.226 0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.913 10.680 0.172 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.324 13.127 -1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.513 11.872 -1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.023 12.076 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.033 10.644 -3.094 1.00 0.00 H new ATOM 445 N THR A 30 -0.008 12.535 -0.411 1.00 0.00 N ATOM 446 CA THR A 30 -0.943 13.596 0.072 1.00 0.00 C ATOM 447 C THR A 30 -1.825 13.080 1.213 1.00 0.00 C ATOM 448 O THR A 30 -2.060 13.776 2.181 1.00 0.00 O ATOM 449 CB THR A 30 -1.818 14.055 -1.094 1.00 0.00 C ATOM 450 OG1 THR A 30 -2.686 12.998 -1.479 1.00 0.00 O ATOM 451 CG2 THR A 30 -0.922 14.443 -2.272 1.00 0.00 C ATOM 0 H THR A 30 -0.043 12.350 -1.413 1.00 0.00 H new ATOM 0 HA THR A 30 -0.358 14.432 0.454 1.00 0.00 H new ATOM 0 HB THR A 30 -2.414 14.916 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.249 13.292 -2.226 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.541 14.771 -3.107 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.257 15.253 -1.972 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.329 13.581 -2.577 1.00 0.00 H new ATOM 459 N GLY A 31 -2.309 11.878 1.124 1.00 0.00 N ATOM 460 CA GLY A 31 -3.165 11.344 2.225 1.00 0.00 C ATOM 461 C GLY A 31 -4.497 12.106 2.285 1.00 0.00 C ATOM 462 O GLY A 31 -5.445 11.660 2.902 1.00 0.00 O ATOM 0 H GLY A 31 -2.153 11.241 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.353 10.282 2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.643 11.436 3.177 1.00 0.00 H new ATOM 466 N GLY A 32 -4.583 13.249 1.649 1.00 0.00 N ATOM 467 CA GLY A 32 -5.860 14.034 1.671 1.00 0.00 C ATOM 468 C GLY A 32 -6.653 13.730 0.402 1.00 0.00 C ATOM 469 O GLY A 32 -7.842 13.964 0.320 1.00 0.00 O ATOM 0 H GLY A 32 -3.825 13.674 1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.446 13.774 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.645 15.101 1.734 1.00 0.00 H new ATOM 473 N GLY A 33 -5.994 13.193 -0.580 1.00 0.00 N ATOM 474 CA GLY A 33 -6.672 12.840 -1.852 1.00 0.00 C ATOM 475 C GLY A 33 -5.670 12.109 -2.750 1.00 0.00 C ATOM 476 O GLY A 33 -5.445 12.515 -3.873 1.00 0.00 O ATOM 0 H GLY A 33 -4.997 12.980 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.538 12.207 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.039 13.739 -2.348 1.00 0.00 H new ATOM 480 N PRO A 34 -5.083 11.050 -2.228 1.00 0.00 N ATOM 481 CA PRO A 34 -4.089 10.263 -2.978 1.00 0.00 C ATOM 482 C PRO A 34 -4.779 9.502 -4.112 1.00 0.00 C ATOM 483 O PRO A 34 -5.960 9.646 -4.344 1.00 0.00 O ATOM 484 CB PRO A 34 -3.529 9.276 -1.937 1.00 0.00 C ATOM 485 CG PRO A 34 -4.556 9.224 -0.788 1.00 0.00 C ATOM 486 CD PRO A 34 -5.354 10.536 -0.862 1.00 0.00 C ATOM 0 HA PRO A 34 -3.312 10.879 -3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.387 8.288 -2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.556 9.606 -1.573 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.215 8.362 -0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.056 9.127 0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.419 10.364 -0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.030 11.243 -0.099 1.00 0.00 H new ATOM 494 N ARG A 35 -4.048 8.676 -4.799 1.00 0.00 N ATOM 495 CA ARG A 35 -4.654 7.880 -5.897 1.00 0.00 C ATOM 496 C ARG A 35 -5.765 7.001 -5.308 1.00 0.00 C ATOM 497 O ARG A 35 -5.532 5.878 -4.908 1.00 0.00 O ATOM 498 CB ARG A 35 -3.571 6.991 -6.535 1.00 0.00 C ATOM 499 CG ARG A 35 -3.976 6.606 -7.960 1.00 0.00 C ATOM 500 CD ARG A 35 -2.944 5.632 -8.537 1.00 0.00 C ATOM 501 NE ARG A 35 -3.165 5.487 -10.003 1.00 0.00 N ATOM 502 CZ ARG A 35 -2.243 4.945 -10.753 1.00 0.00 C ATOM 503 NH1 ARG A 35 -1.131 4.521 -10.217 1.00 0.00 N ATOM 504 NH2 ARG A 35 -2.434 4.827 -12.039 1.00 0.00 N ATOM 0 H ARG A 35 -3.052 8.517 -4.647 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.070 8.540 -6.658 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.618 7.520 -6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.427 6.093 -5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.964 6.146 -7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.041 7.497 -8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.935 5.998 -8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.030 4.662 -8.048 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.037 5.811 -10.421 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.982 4.613 -9.212 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.411 4.098 -10.803 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.303 5.158 -12.458 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.714 4.404 -12.625 1.00 0.00 H new ATOM 518 N ARG A 36 -6.969 7.498 -5.246 1.00 0.00 N ATOM 519 CA ARG A 36 -8.077 6.678 -4.676 1.00 0.00 C ATOM 520 C ARG A 36 -8.185 5.398 -5.500 1.00 0.00 C ATOM 521 O ARG A 36 -8.795 4.426 -5.102 1.00 0.00 O ATOM 522 CB ARG A 36 -9.409 7.464 -4.741 1.00 0.00 C ATOM 523 CG ARG A 36 -9.131 8.978 -4.799 1.00 0.00 C ATOM 524 CD ARG A 36 -8.942 9.437 -6.261 1.00 0.00 C ATOM 525 NE ARG A 36 -8.474 8.294 -7.098 1.00 0.00 N ATOM 526 CZ ARG A 36 -8.523 8.377 -8.399 1.00 0.00 C ATOM 527 NH1 ARG A 36 -8.982 9.458 -8.967 1.00 0.00 N ATOM 528 NH2 ARG A 36 -8.115 7.378 -9.132 1.00 0.00 N ATOM 0 H ARG A 36 -7.234 8.431 -5.563 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.873 6.441 -3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.978 7.157 -5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.019 7.232 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.958 9.523 -4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.238 9.212 -4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.882 9.825 -6.653 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.218 10.251 -6.305 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.116 7.449 -6.653 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.303 10.238 -8.394 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.020 9.523 -9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.758 6.532 -8.688 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.153 7.443 -10.149 1.00 0.00 H new ATOM 542 N GLY A 37 -7.596 5.413 -6.655 1.00 0.00 N ATOM 543 CA GLY A 37 -7.648 4.223 -7.544 1.00 0.00 C ATOM 544 C GLY A 37 -7.108 2.984 -6.824 1.00 0.00 C ATOM 545 O GLY A 37 -7.495 1.879 -7.136 1.00 0.00 O ATOM 0 H GLY A 37 -7.074 6.206 -7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.675 4.046 -7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.063 4.410 -8.445 1.00 0.00 H new ATOM 549 N ILE A 38 -6.202 3.143 -5.880 1.00 0.00 N ATOM 550 CA ILE A 38 -5.640 1.942 -5.165 1.00 0.00 C ATOM 551 C ILE A 38 -6.294 1.778 -3.777 1.00 0.00 C ATOM 552 O ILE A 38 -6.803 0.725 -3.448 1.00 0.00 O ATOM 553 CB ILE A 38 -4.083 2.081 -5.056 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.369 0.736 -5.362 1.00 0.00 C ATOM 555 CG2 ILE A 38 -3.625 2.579 -3.671 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.098 -0.469 -4.736 1.00 0.00 C ATOM 0 H ILE A 38 -5.830 4.043 -5.576 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.867 1.042 -5.736 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.804 2.826 -5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.305 0.598 -6.441 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.347 0.776 -4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.538 2.656 -3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.062 3.558 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.951 1.875 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.560 -1.386 -4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.139 -0.347 -3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.112 -0.527 -5.133 1.00 0.00 H new ATOM 568 N VAL A 39 -6.235 2.784 -2.945 1.00 0.00 N ATOM 569 CA VAL A 39 -6.798 2.642 -1.570 1.00 0.00 C ATOM 570 C VAL A 39 -8.307 2.395 -1.607 1.00 0.00 C ATOM 571 O VAL A 39 -8.773 1.360 -1.189 1.00 0.00 O ATOM 572 CB VAL A 39 -6.507 3.907 -0.753 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.702 3.603 0.735 1.00 0.00 C ATOM 574 CG2 VAL A 39 -5.060 4.367 -0.998 1.00 0.00 C ATOM 0 H VAL A 39 -5.824 3.693 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.322 1.781 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.190 4.700 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.496 4.500 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.730 3.284 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.019 2.809 1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.860 5.266 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.371 3.578 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.922 4.584 -2.057 1.00 0.00 H new ATOM 584 N GLU A 40 -9.079 3.329 -2.082 1.00 0.00 N ATOM 585 CA GLU A 40 -10.557 3.119 -2.106 1.00 0.00 C ATOM 586 C GLU A 40 -10.897 1.817 -2.838 1.00 0.00 C ATOM 587 O GLU A 40 -11.682 1.018 -2.367 1.00 0.00 O ATOM 588 CB GLU A 40 -11.235 4.291 -2.821 1.00 0.00 C ATOM 589 CG GLU A 40 -11.207 5.537 -1.929 1.00 0.00 C ATOM 590 CD GLU A 40 -12.132 6.604 -2.516 1.00 0.00 C ATOM 591 OE1 GLU A 40 -13.161 6.234 -3.058 1.00 0.00 O ATOM 592 OE2 GLU A 40 -11.796 7.772 -2.415 1.00 0.00 O ATOM 0 H GLU A 40 -8.757 4.223 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.917 3.057 -1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.726 4.497 -3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.265 4.032 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.525 5.281 -0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.190 5.922 -1.856 1.00 0.00 H new ATOM 599 N GLN A 41 -10.327 1.601 -3.989 1.00 0.00 N ATOM 600 CA GLN A 41 -10.636 0.357 -4.752 1.00 0.00 C ATOM 601 C GLN A 41 -10.565 -0.865 -3.834 1.00 0.00 C ATOM 602 O GLN A 41 -11.520 -1.601 -3.693 1.00 0.00 O ATOM 603 CB GLN A 41 -9.627 0.193 -5.893 1.00 0.00 C ATOM 604 CG GLN A 41 -10.129 -0.877 -6.866 1.00 0.00 C ATOM 605 CD GLN A 41 -11.275 -0.316 -7.696 1.00 0.00 C ATOM 606 OE1 GLN A 41 -11.215 0.802 -8.168 1.00 0.00 O ATOM 607 NE2 GLN A 41 -12.325 -1.055 -7.895 1.00 0.00 N ATOM 0 H GLN A 41 -9.660 2.231 -4.436 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.645 0.436 -5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.494 1.141 -6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.653 -0.091 -5.494 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.317 -1.199 -7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.462 -1.756 -6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.371 -1.993 -7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.103 -0.697 -8.449 1.00 0.00 H new ATOM 616 N CYS A 42 -9.434 -1.102 -3.228 1.00 0.00 N ATOM 617 CA CYS A 42 -9.295 -2.295 -2.342 1.00 0.00 C ATOM 618 C CYS A 42 -9.805 -2.000 -0.926 1.00 0.00 C ATOM 619 O CYS A 42 -10.205 -2.895 -0.209 1.00 0.00 O ATOM 620 CB CYS A 42 -7.823 -2.698 -2.282 1.00 0.00 C ATOM 621 SG CYS A 42 -7.209 -2.972 -3.959 1.00 0.00 S ATOM 0 H CYS A 42 -8.599 -0.521 -3.307 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.895 -3.107 -2.753 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.240 -1.918 -1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.706 -3.604 -1.687 1.00 0.00 H new ATOM 626 N CYS A 43 -9.797 -0.764 -0.506 1.00 0.00 N ATOM 627 CA CYS A 43 -10.288 -0.447 0.871 1.00 0.00 C ATOM 628 C CYS A 43 -11.807 -0.304 0.842 1.00 0.00 C ATOM 629 O CYS A 43 -12.516 -0.926 1.608 1.00 0.00 O ATOM 630 CB CYS A 43 -9.656 0.856 1.375 1.00 0.00 C ATOM 631 SG CYS A 43 -10.150 1.142 3.095 1.00 0.00 S ATOM 0 H CYS A 43 -9.475 0.036 -1.050 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.006 -1.255 1.546 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.570 0.798 1.302 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.973 1.692 0.751 1.00 0.00 H new ATOM 636 N HIS A 44 -12.314 0.512 -0.040 1.00 0.00 N ATOM 637 CA HIS A 44 -13.787 0.696 -0.120 1.00 0.00 C ATOM 638 C HIS A 44 -14.431 -0.601 -0.612 1.00 0.00 C ATOM 639 O HIS A 44 -15.562 -0.904 -0.286 1.00 0.00 O ATOM 640 CB HIS A 44 -14.106 1.832 -1.096 1.00 0.00 C ATOM 641 CG HIS A 44 -15.524 2.285 -0.895 1.00 0.00 C ATOM 642 ND1 HIS A 44 -16.592 1.398 -0.851 1.00 0.00 N ATOM 643 CD2 HIS A 44 -16.063 3.531 -0.723 1.00 0.00 C ATOM 644 CE1 HIS A 44 -17.711 2.121 -0.659 1.00 0.00 C ATOM 645 NE2 HIS A 44 -17.440 3.424 -0.575 1.00 0.00 N ATOM 0 H HIS A 44 -11.771 1.059 -0.708 1.00 0.00 H new ATOM 0 HA HIS A 44 -14.180 0.946 0.865 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.421 2.665 -0.937 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.963 1.494 -2.122 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -16.538 0.384 -0.947 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -15.504 4.455 -0.705 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -18.702 1.699 -0.583 1.00 0.00 H new ATOM 653 N SER A 45 -13.716 -1.373 -1.394 1.00 0.00 N ATOM 654 CA SER A 45 -14.279 -2.662 -1.914 1.00 0.00 C ATOM 655 C SER A 45 -13.223 -3.761 -1.818 1.00 0.00 C ATOM 656 O SER A 45 -12.081 -3.517 -1.489 1.00 0.00 O ATOM 657 CB SER A 45 -14.693 -2.494 -3.374 1.00 0.00 C ATOM 658 OG SER A 45 -14.936 -3.774 -3.942 1.00 0.00 O ATOM 0 H SER A 45 -12.764 -1.167 -1.696 1.00 0.00 H new ATOM 0 HA SER A 45 -15.149 -2.935 -1.317 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.589 -1.877 -3.441 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.909 -1.979 -3.930 1.00 0.00 H new ATOM 0 HG SER A 45 -15.204 -3.671 -4.879 1.00 0.00 H new ATOM 664 N ILE A 46 -13.603 -4.976 -2.107 1.00 0.00 N ATOM 665 CA ILE A 46 -12.641 -6.112 -2.040 1.00 0.00 C ATOM 666 C ILE A 46 -12.012 -6.311 -3.427 1.00 0.00 C ATOM 667 O ILE A 46 -12.603 -6.911 -4.302 1.00 0.00 O ATOM 668 CB ILE A 46 -13.390 -7.402 -1.622 1.00 0.00 C ATOM 669 CG1 ILE A 46 -14.525 -7.090 -0.624 1.00 0.00 C ATOM 670 CG2 ILE A 46 -12.418 -8.388 -0.970 1.00 0.00 C ATOM 671 CD1 ILE A 46 -13.945 -6.666 0.728 1.00 0.00 C ATOM 0 H ILE A 46 -14.549 -5.232 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.864 -5.896 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 46 -13.820 -7.840 -2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.158 -6.296 -1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -15.157 -7.969 -0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.955 -9.291 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.631 -8.646 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.974 -7.930 -0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.758 -6.449 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.331 -7.472 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.332 -5.774 0.597 1.00 0.00 H new ATOM 683 N CYS A 47 -10.820 -5.814 -3.636 1.00 0.00 N ATOM 684 CA CYS A 47 -10.162 -5.979 -4.969 1.00 0.00 C ATOM 685 C CYS A 47 -9.308 -7.248 -4.967 1.00 0.00 C ATOM 686 O CYS A 47 -8.809 -7.671 -3.944 1.00 0.00 O ATOM 687 CB CYS A 47 -9.275 -4.760 -5.260 1.00 0.00 C ATOM 688 SG CYS A 47 -7.715 -4.887 -4.346 1.00 0.00 S ATOM 0 H CYS A 47 -10.274 -5.302 -2.943 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.927 -6.061 -5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.074 -4.695 -6.329 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.797 -3.846 -4.977 1.00 0.00 H new ATOM 693 N SER A 48 -9.130 -7.856 -6.109 1.00 0.00 N ATOM 694 CA SER A 48 -8.302 -9.093 -6.176 1.00 0.00 C ATOM 695 C SER A 48 -6.829 -8.706 -6.316 1.00 0.00 C ATOM 696 O SER A 48 -6.496 -7.575 -6.612 1.00 0.00 O ATOM 697 CB SER A 48 -8.733 -9.931 -7.386 1.00 0.00 C ATOM 698 OG SER A 48 -9.061 -9.065 -8.464 1.00 0.00 O ATOM 0 H SER A 48 -9.523 -7.549 -6.999 1.00 0.00 H new ATOM 0 HA SER A 48 -8.440 -9.677 -5.266 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.930 -10.607 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.592 -10.550 -7.127 1.00 0.00 H new ATOM 0 HG SER A 48 -9.335 -9.598 -9.240 1.00 0.00 H new ATOM 704 N LEU A 49 -5.946 -9.641 -6.116 1.00 0.00 N ATOM 705 CA LEU A 49 -4.496 -9.337 -6.247 1.00 0.00 C ATOM 706 C LEU A 49 -4.247 -8.791 -7.646 1.00 0.00 C ATOM 707 O LEU A 49 -3.415 -7.933 -7.860 1.00 0.00 O ATOM 708 CB LEU A 49 -3.680 -10.618 -6.043 1.00 0.00 C ATOM 709 CG LEU A 49 -4.113 -11.333 -4.751 1.00 0.00 C ATOM 710 CD1 LEU A 49 -3.065 -12.381 -4.366 1.00 0.00 C ATOM 711 CD2 LEU A 49 -4.225 -10.335 -3.601 1.00 0.00 C ATOM 0 H LEU A 49 -6.166 -10.605 -5.867 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.196 -8.605 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.816 -11.282 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.618 -10.376 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.080 -11.803 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.374 -12.886 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.969 -13.112 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.104 -11.892 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.532 -10.857 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.258 -9.860 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.965 -9.574 -3.850 1.00 0.00 H new ATOM 723 N TYR A 50 -4.983 -9.286 -8.595 1.00 0.00 N ATOM 724 CA TYR A 50 -4.847 -8.830 -9.992 1.00 0.00 C ATOM 725 C TYR A 50 -4.746 -7.311 -10.037 1.00 0.00 C ATOM 726 O TYR A 50 -3.800 -6.745 -10.548 1.00 0.00 O ATOM 727 CB TYR A 50 -6.105 -9.281 -10.734 1.00 0.00 C ATOM 728 CG TYR A 50 -5.809 -9.404 -12.188 1.00 0.00 C ATOM 729 CD1 TYR A 50 -5.216 -10.566 -12.651 1.00 0.00 C ATOM 730 CD2 TYR A 50 -6.122 -8.365 -13.058 1.00 0.00 C ATOM 731 CE1 TYR A 50 -4.926 -10.707 -14.010 1.00 0.00 C ATOM 732 CE2 TYR A 50 -5.838 -8.494 -14.420 1.00 0.00 C ATOM 733 CZ TYR A 50 -5.239 -9.669 -14.900 1.00 0.00 C ATOM 734 OH TYR A 50 -4.955 -9.802 -16.244 1.00 0.00 O ATOM 0 H TYR A 50 -5.691 -10.007 -8.452 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.949 -9.246 -10.449 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.449 -10.238 -10.340 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.910 -8.563 -10.576 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.978 -11.363 -11.962 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.582 -7.463 -12.683 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.462 -11.612 -14.374 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.079 -7.692 -15.102 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.237 -8.993 -16.720 1.00 0.00 H new ATOM 744 N GLN A 51 -5.728 -6.657 -9.505 1.00 0.00 N ATOM 745 CA GLN A 51 -5.719 -5.170 -9.507 1.00 0.00 C ATOM 746 C GLN A 51 -4.490 -4.684 -8.758 1.00 0.00 C ATOM 747 O GLN A 51 -3.809 -3.772 -9.185 1.00 0.00 O ATOM 748 CB GLN A 51 -6.983 -4.652 -8.826 1.00 0.00 C ATOM 749 CG GLN A 51 -8.177 -5.493 -9.290 1.00 0.00 C ATOM 750 CD GLN A 51 -9.478 -4.813 -8.876 1.00 0.00 C ATOM 751 OE1 GLN A 51 -10.309 -5.408 -8.220 1.00 0.00 O ATOM 752 NE2 GLN A 51 -9.688 -3.582 -9.235 1.00 0.00 N ATOM 0 H GLN A 51 -6.543 -7.086 -9.066 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.692 -4.799 -10.532 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.879 -4.711 -7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.142 -3.603 -9.074 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -8.148 -5.616 -10.373 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.122 -6.491 -8.854 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.988 -3.085 -9.786 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.553 -3.113 -8.966 1.00 0.00 H new ATOM 761 N LEU A 52 -4.186 -5.294 -7.652 1.00 0.00 N ATOM 762 CA LEU A 52 -2.987 -4.870 -6.900 1.00 0.00 C ATOM 763 C LEU A 52 -1.773 -5.098 -7.786 1.00 0.00 C ATOM 764 O LEU A 52 -0.801 -4.372 -7.741 1.00 0.00 O ATOM 765 CB LEU A 52 -2.861 -5.692 -5.623 1.00 0.00 C ATOM 766 CG LEU A 52 -4.047 -5.394 -4.695 1.00 0.00 C ATOM 767 CD1 LEU A 52 -3.879 -6.202 -3.421 1.00 0.00 C ATOM 768 CD2 LEU A 52 -4.094 -3.898 -4.339 1.00 0.00 C ATOM 0 H LEU A 52 -4.714 -6.063 -7.240 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.062 -3.818 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.834 -6.755 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.924 -5.456 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.974 -5.661 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.714 -6.001 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.856 -7.264 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.946 -5.921 -2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.941 -3.707 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.171 -3.615 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.203 -3.310 -5.251 1.00 0.00 H new ATOM 780 N GLU A 53 -1.839 -6.107 -8.604 1.00 0.00 N ATOM 781 CA GLU A 53 -0.715 -6.409 -9.522 1.00 0.00 C ATOM 782 C GLU A 53 -0.662 -5.300 -10.577 1.00 0.00 C ATOM 783 O GLU A 53 0.266 -5.200 -11.355 1.00 0.00 O ATOM 784 CB GLU A 53 -0.965 -7.796 -10.173 1.00 0.00 C ATOM 785 CG GLU A 53 0.281 -8.703 -10.059 1.00 0.00 C ATOM 786 CD GLU A 53 0.276 -9.742 -11.186 1.00 0.00 C ATOM 787 OE1 GLU A 53 0.252 -9.339 -12.337 1.00 0.00 O ATOM 788 OE2 GLU A 53 0.296 -10.923 -10.878 1.00 0.00 O ATOM 0 H GLU A 53 -2.634 -6.742 -8.675 1.00 0.00 H new ATOM 0 HA GLU A 53 0.238 -6.446 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.814 -8.279 -9.690 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.227 -7.665 -11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.187 -8.099 -10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.289 -9.204 -9.091 1.00 0.00 H new ATOM 795 N ASN A 54 -1.668 -4.471 -10.598 1.00 0.00 N ATOM 796 CA ASN A 54 -1.717 -3.361 -11.586 1.00 0.00 C ATOM 797 C ASN A 54 -0.754 -2.250 -11.158 1.00 0.00 C ATOM 798 O ASN A 54 -0.246 -1.508 -11.975 1.00 0.00 O ATOM 799 CB ASN A 54 -3.155 -2.818 -11.641 1.00 0.00 C ATOM 800 CG ASN A 54 -3.404 -2.114 -12.976 1.00 0.00 C ATOM 801 OD1 ASN A 54 -2.486 -1.617 -13.598 1.00 0.00 O ATOM 802 ND2 ASN A 54 -4.621 -2.052 -13.443 1.00 0.00 N ATOM 0 H ASN A 54 -2.466 -4.517 -9.965 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.421 -3.721 -12.571 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.865 -3.635 -11.515 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.320 -2.122 -10.818 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.803 -1.586 -14.332 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.390 -2.470 -12.919 1.00 0.00 H new ATOM 809 N TYR A 55 -0.507 -2.126 -9.878 1.00 0.00 N ATOM 810 CA TYR A 55 0.415 -1.059 -9.381 1.00 0.00 C ATOM 811 C TYR A 55 1.784 -1.659 -9.054 1.00 0.00 C ATOM 812 O TYR A 55 2.656 -0.984 -8.543 1.00 0.00 O ATOM 813 CB TYR A 55 -0.185 -0.440 -8.118 1.00 0.00 C ATOM 814 CG TYR A 55 -1.651 -0.192 -8.344 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.562 -1.220 -8.125 1.00 0.00 C ATOM 816 CD2 TYR A 55 -2.092 1.056 -8.781 1.00 0.00 C ATOM 817 CE1 TYR A 55 -3.932 -1.006 -8.339 1.00 0.00 C ATOM 818 CE2 TYR A 55 -3.457 1.277 -9.000 1.00 0.00 C ATOM 819 CZ TYR A 55 -4.378 0.246 -8.778 1.00 0.00 C ATOM 820 OH TYR A 55 -5.724 0.463 -8.993 1.00 0.00 O ATOM 0 H TYR A 55 -0.906 -2.721 -9.152 1.00 0.00 H new ATOM 0 HA TYR A 55 0.539 -0.297 -10.150 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.043 -1.107 -7.268 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.323 0.494 -7.879 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.214 -2.186 -7.789 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.382 1.852 -8.950 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.639 -1.804 -8.166 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.800 2.243 -9.340 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.101 0.955 -8.234 1.00 0.00 H new ATOM 830 N CYS A 56 1.991 -2.917 -9.342 1.00 0.00 N ATOM 831 CA CYS A 56 3.316 -3.531 -9.038 1.00 0.00 C ATOM 832 C CYS A 56 4.317 -3.149 -10.130 1.00 0.00 C ATOM 833 O CYS A 56 4.212 -3.584 -11.260 1.00 0.00 O ATOM 834 CB CYS A 56 3.186 -5.053 -8.986 1.00 0.00 C ATOM 835 SG CYS A 56 2.252 -5.545 -7.514 1.00 0.00 S ATOM 0 H CYS A 56 1.307 -3.541 -9.770 1.00 0.00 H new ATOM 0 HA CYS A 56 3.665 -3.165 -8.072 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.683 -5.414 -9.883 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.175 -5.510 -8.969 1.00 0.00 H new ATOM 840 N ASN A 57 5.287 -2.339 -9.804 1.00 0.00 N ATOM 841 CA ASN A 57 6.294 -1.934 -10.826 1.00 0.00 C ATOM 842 C ASN A 57 5.574 -1.440 -12.083 1.00 0.00 C ATOM 843 O ASN A 57 5.040 -0.343 -12.043 1.00 0.00 O ATOM 844 CB ASN A 57 7.172 -3.137 -11.179 1.00 0.00 C ATOM 845 CG ASN A 57 8.135 -2.755 -12.303 1.00 0.00 C ATOM 846 OD1 ASN A 57 8.303 -3.494 -13.253 1.00 0.00 O ATOM 847 ND2 ASN A 57 8.777 -1.625 -12.233 1.00 0.00 N ATOM 848 OXT ASN A 57 5.568 -2.166 -13.063 1.00 0.00 O ATOM 0 H ASN A 57 5.426 -1.940 -8.875 1.00 0.00 H new ATOM 0 HA ASN A 57 6.917 -1.134 -10.427 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.731 -3.462 -10.302 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.549 -3.976 -11.489 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.423 -1.358 -12.976 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.635 -1.006 -11.435 1.00 0.00 H new TER 855 ASN A 57