USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 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= -0.138 X(o=-0.65,f=-0.32) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.51 X(o=-0.65,f=-1) USER MOD Single : A 1 PHE N :NH3+ 163:sc= 0.00569 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.0482 X(o=-0.048,f=-0.048) USER MOD Single : A 4 GLN :FLIP amide:sc= -6.2! C(o=-7.5!,f=-6.2!) USER MOD Single : A 5 HIS : no HE2:sc= -10.7! C(o=-11!,f=-12!) 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 -80:sc= -2.05! USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 30 THR OG1 : rot -110:sc= 0.735 USER MOD Single : A 44 HIS :FLIP no HD1:sc= -6.74! C(o=-13!,f=-6.7!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0382 USER MOD Single : A 48 SER OG : rot 7:sc= 1.21 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.426 F(o=-1.5,f=-0.43) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.131 USER MOD Single : A 57 ASN : amide:sc= -1.72! C(o=-1.7!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 12.658 0.779 -2.167 1.00 0.00 N ATOM 2 CA PHE A 1 11.604 1.821 -2.329 1.00 0.00 C ATOM 3 C PHE A 1 11.959 3.040 -1.489 1.00 0.00 C ATOM 4 O PHE A 1 12.629 2.944 -0.481 1.00 0.00 O ATOM 5 CB PHE A 1 10.254 1.264 -1.874 1.00 0.00 C ATOM 6 CG PHE A 1 9.190 1.616 -2.887 1.00 0.00 C ATOM 7 CD1 PHE A 1 9.373 1.292 -4.237 1.00 0.00 C ATOM 8 CD2 PHE A 1 8.018 2.265 -2.476 1.00 0.00 C ATOM 9 CE1 PHE A 1 8.385 1.618 -5.176 1.00 0.00 C ATOM 10 CE2 PHE A 1 7.031 2.592 -3.414 1.00 0.00 C ATOM 11 CZ PHE A 1 7.214 2.268 -4.764 1.00 0.00 C ATOM 0 H1 PHE A 1 12.292 -0.138 -2.493 1.00 0.00 H new ATOM 0 H2 PHE A 1 13.493 1.039 -2.731 1.00 0.00 H new ATOM 0 H3 PHE A 1 12.926 0.709 -1.164 1.00 0.00 H new ATOM 0 HA PHE A 1 11.541 2.108 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 1 10.316 0.182 -1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 1 9.991 1.674 -0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 1 10.275 0.791 -4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 1 7.876 2.513 -1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 1 8.526 1.368 -6.217 1.00 0.00 H new ATOM 0 HE2 PHE A 1 6.129 3.094 -3.096 1.00 0.00 H new ATOM 0 HZ PHE A 1 6.453 2.519 -5.488 1.00 0.00 H new ATOM 23 N VAL A 2 11.529 4.191 -1.916 1.00 0.00 N ATOM 24 CA VAL A 2 11.850 5.422 -1.172 1.00 0.00 C ATOM 25 C VAL A 2 10.580 6.199 -0.860 1.00 0.00 C ATOM 26 O VAL A 2 9.494 5.662 -0.768 1.00 0.00 O ATOM 27 CB VAL A 2 12.794 6.268 -2.032 1.00 0.00 C ATOM 28 CG1 VAL A 2 12.026 7.204 -2.977 1.00 0.00 C ATOM 29 CG2 VAL A 2 13.715 7.067 -1.128 1.00 0.00 C ATOM 0 H VAL A 2 10.965 4.326 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 2 12.330 5.172 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 2 13.382 5.595 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.734 7.785 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.397 6.613 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.401 7.879 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 2 14.388 7.670 -1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 2 13.121 7.720 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 2 14.298 6.385 -0.509 1.00 0.00 H new ATOM 39 N ASN A 3 10.739 7.467 -0.713 1.00 0.00 N ATOM 40 CA ASN A 3 9.581 8.355 -0.416 1.00 0.00 C ATOM 41 C ASN A 3 8.978 8.838 -1.728 1.00 0.00 C ATOM 42 O ASN A 3 9.474 9.753 -2.353 1.00 0.00 O ATOM 43 CB ASN A 3 10.053 9.557 0.406 1.00 0.00 C ATOM 44 CG ASN A 3 11.160 9.114 1.365 1.00 0.00 C ATOM 45 OD1 ASN A 3 12.265 9.618 1.310 1.00 0.00 O ATOM 46 ND2 ASN A 3 10.910 8.185 2.248 1.00 0.00 N ATOM 0 H ASN A 3 11.637 7.946 -0.786 1.00 0.00 H new ATOM 0 HA ASN A 3 8.832 7.805 0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.422 10.341 -0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.218 9.979 0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.642 7.883 2.891 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.983 7.762 2.295 1.00 0.00 H new ATOM 53 N GLN A 4 7.911 8.226 -2.153 1.00 0.00 N ATOM 54 CA GLN A 4 7.286 8.652 -3.427 1.00 0.00 C ATOM 55 C GLN A 4 5.774 8.807 -3.247 1.00 0.00 C ATOM 56 O GLN A 4 5.210 8.456 -2.221 1.00 0.00 O ATOM 57 CB GLN A 4 7.573 7.612 -4.514 1.00 0.00 C ATOM 58 CG GLN A 4 6.723 6.362 -4.272 1.00 0.00 C ATOM 59 CD GLN A 4 7.238 5.624 -3.037 1.00 0.00 C ATOM 60 OE1 GLN A 4 6.385 5.124 -2.187 1.00 0.00 O flip ATOM 61 NE2 GLN A 4 8.431 5.500 -2.842 1.00 0.00 N flip ATOM 0 H GLN A 4 7.448 7.453 -1.674 1.00 0.00 H new ATOM 0 HA GLN A 4 7.706 9.613 -3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.352 8.029 -5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.631 7.350 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 4 5.679 6.641 -4.132 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.764 5.708 -5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.100 5.891 -3.506 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.764 5.005 -2.014 1.00 0.00 H new ATOM 70 N HIS A 5 5.124 9.335 -4.250 1.00 0.00 N ATOM 71 CA HIS A 5 3.652 9.535 -4.185 1.00 0.00 C ATOM 72 C HIS A 5 2.973 8.284 -4.746 1.00 0.00 C ATOM 73 O HIS A 5 3.047 8.007 -5.927 1.00 0.00 O ATOM 74 CB HIS A 5 3.283 10.743 -5.048 1.00 0.00 C ATOM 75 CG HIS A 5 3.645 12.010 -4.326 1.00 0.00 C ATOM 76 ND1 HIS A 5 2.685 12.843 -3.791 1.00 0.00 N ATOM 77 CD2 HIS A 5 4.865 12.576 -4.072 1.00 0.00 C ATOM 78 CE1 HIS A 5 3.343 13.877 -3.239 1.00 0.00 C ATOM 79 NE2 HIS A 5 4.677 13.754 -3.386 1.00 0.00 N ATOM 0 H HIS A 5 5.559 9.639 -5.121 1.00 0.00 H new ATOM 0 HA HIS A 5 3.331 9.706 -3.158 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.807 10.694 -6.002 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.216 10.731 -5.270 1.00 0.00 H new ATOM 0 HD1 HIS A 5 1.675 12.702 -3.810 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.820 12.165 -4.363 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.862 14.705 -2.739 1.00 0.00 H new ATOM 87 N LEU A 6 2.333 7.516 -3.914 1.00 0.00 N ATOM 88 CA LEU A 6 1.677 6.273 -4.409 1.00 0.00 C ATOM 89 C LEU A 6 0.154 6.376 -4.312 1.00 0.00 C ATOM 90 O LEU A 6 -0.398 6.775 -3.308 1.00 0.00 O ATOM 91 CB LEU A 6 2.167 5.093 -3.576 1.00 0.00 C ATOM 92 CG LEU A 6 2.833 4.081 -4.496 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.893 4.789 -5.341 1.00 0.00 C ATOM 94 CD2 LEU A 6 3.493 2.994 -3.654 1.00 0.00 C ATOM 0 H LEU A 6 2.234 7.692 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 6 1.938 6.131 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.872 5.434 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.332 4.631 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 6 2.087 3.631 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.373 4.067 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.421 5.570 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.642 5.235 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.972 2.266 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.242 3.443 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.737 2.494 -3.048 1.00 0.00 H new ATOM 106 N CYS A 7 -0.527 5.992 -5.356 1.00 0.00 N ATOM 107 CA CYS A 7 -2.015 6.034 -5.342 1.00 0.00 C ATOM 108 C CYS A 7 -2.536 4.616 -5.541 1.00 0.00 C ATOM 109 O CYS A 7 -1.786 3.730 -5.882 1.00 0.00 O ATOM 110 CB CYS A 7 -2.524 6.924 -6.478 1.00 0.00 C ATOM 111 SG CYS A 7 -1.680 8.524 -6.428 1.00 0.00 S ATOM 0 H CYS A 7 -0.113 5.649 -6.223 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.365 6.440 -4.393 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.348 6.440 -7.438 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.601 7.067 -6.386 1.00 0.00 H new ATOM 116 N GLY A 8 -3.811 4.403 -5.322 1.00 0.00 N ATOM 117 CA GLY A 8 -4.403 3.039 -5.485 1.00 0.00 C ATOM 118 C GLY A 8 -3.632 2.233 -6.535 1.00 0.00 C ATOM 119 O GLY A 8 -3.314 1.081 -6.329 1.00 0.00 O ATOM 0 H GLY A 8 -4.473 5.124 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.384 2.513 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.448 3.124 -5.781 1.00 0.00 H new ATOM 123 N SER A 9 -3.324 2.828 -7.653 1.00 0.00 N ATOM 124 CA SER A 9 -2.573 2.086 -8.705 1.00 0.00 C ATOM 125 C SER A 9 -1.191 1.691 -8.181 1.00 0.00 C ATOM 126 O SER A 9 -0.910 0.526 -7.966 1.00 0.00 O ATOM 127 CB SER A 9 -2.421 2.970 -9.942 1.00 0.00 C ATOM 128 OG SER A 9 -3.702 3.436 -10.346 1.00 0.00 O ATOM 0 H SER A 9 -3.559 3.793 -7.884 1.00 0.00 H new ATOM 0 HA SER A 9 -3.124 1.183 -8.969 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.767 3.814 -9.722 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.954 2.407 -10.750 1.00 0.00 H new ATOM 0 HG SER A 9 -3.608 4.005 -11.138 1.00 0.00 H new ATOM 134 N ASP A 10 -0.320 2.640 -7.968 1.00 0.00 N ATOM 135 CA ASP A 10 1.027 2.281 -7.456 1.00 0.00 C ATOM 136 C ASP A 10 0.882 1.762 -6.031 1.00 0.00 C ATOM 137 O ASP A 10 1.803 1.210 -5.461 1.00 0.00 O ATOM 138 CB ASP A 10 1.941 3.508 -7.481 1.00 0.00 C ATOM 139 CG ASP A 10 2.459 3.728 -8.903 1.00 0.00 C ATOM 140 OD1 ASP A 10 2.591 2.750 -9.622 1.00 0.00 O ATOM 141 OD2 ASP A 10 2.711 4.869 -9.252 1.00 0.00 O ATOM 0 H ASP A 10 -0.482 3.635 -8.125 1.00 0.00 H new ATOM 0 HA ASP A 10 1.471 1.510 -8.086 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.395 4.388 -7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.777 3.366 -6.796 1.00 0.00 H new ATOM 146 N LEU A 11 -0.282 1.907 -5.459 1.00 0.00 N ATOM 147 CA LEU A 11 -0.496 1.393 -4.087 1.00 0.00 C ATOM 148 C LEU A 11 -0.566 -0.120 -4.131 1.00 0.00 C ATOM 149 O LEU A 11 0.070 -0.795 -3.353 1.00 0.00 O ATOM 150 CB LEU A 11 -1.809 1.915 -3.514 1.00 0.00 C ATOM 151 CG LEU A 11 -1.545 2.611 -2.186 1.00 0.00 C ATOM 152 CD1 LEU A 11 -1.671 4.115 -2.355 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.576 2.143 -1.170 1.00 0.00 C ATOM 0 H LEU A 11 -1.090 2.359 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 11 0.330 1.728 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.273 2.610 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.509 1.091 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.538 2.368 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.481 4.606 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.946 4.460 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.677 4.360 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.395 2.636 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.576 2.394 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.497 1.063 -1.042 1.00 0.00 H new ATOM 165 N VAL A 12 -1.341 -0.662 -5.030 1.00 0.00 N ATOM 166 CA VAL A 12 -1.448 -2.141 -5.091 1.00 0.00 C ATOM 167 C VAL A 12 -0.119 -2.706 -5.543 1.00 0.00 C ATOM 168 O VAL A 12 0.242 -3.792 -5.176 1.00 0.00 O ATOM 169 CB VAL A 12 -2.549 -2.565 -6.063 1.00 0.00 C ATOM 170 CG1 VAL A 12 -3.911 -2.413 -5.392 1.00 0.00 C ATOM 171 CG2 VAL A 12 -2.491 -1.701 -7.323 1.00 0.00 C ATOM 0 H VAL A 12 -1.897 -0.150 -5.715 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.703 -2.524 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.400 -3.608 -6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.695 -2.716 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.951 -3.043 -4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.062 -1.372 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.278 -2.008 -8.011 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.633 -0.654 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.520 -1.823 -7.804 1.00 0.00 H new ATOM 181 N GLU A 13 0.625 -1.969 -6.311 1.00 0.00 N ATOM 182 CA GLU A 13 1.955 -2.477 -6.749 1.00 0.00 C ATOM 183 C GLU A 13 2.876 -2.471 -5.534 1.00 0.00 C ATOM 184 O GLU A 13 3.427 -3.483 -5.151 1.00 0.00 O ATOM 185 CB GLU A 13 2.528 -1.557 -7.820 1.00 0.00 C ATOM 186 CG GLU A 13 3.158 -2.396 -8.931 1.00 0.00 C ATOM 187 CD GLU A 13 2.533 -2.013 -10.275 1.00 0.00 C ATOM 188 OE1 GLU A 13 1.432 -1.487 -10.266 1.00 0.00 O ATOM 189 OE2 GLU A 13 3.169 -2.250 -11.289 1.00 0.00 O ATOM 0 H GLU A 13 0.375 -1.042 -6.655 1.00 0.00 H new ATOM 0 HA GLU A 13 1.863 -3.482 -7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.741 -0.924 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.275 -0.894 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.235 -2.232 -8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.002 -3.457 -8.734 1.00 0.00 H new ATOM 196 N ALA A 14 3.022 -1.334 -4.905 1.00 0.00 N ATOM 197 CA ALA A 14 3.878 -1.270 -3.695 1.00 0.00 C ATOM 198 C ALA A 14 3.373 -2.323 -2.729 1.00 0.00 C ATOM 199 O ALA A 14 4.114 -3.152 -2.243 1.00 0.00 O ATOM 200 CB ALA A 14 3.763 0.111 -3.049 1.00 0.00 C ATOM 0 H ALA A 14 2.586 -0.454 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 14 4.922 -1.445 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.394 0.151 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.086 0.873 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.727 0.295 -2.766 1.00 0.00 H new ATOM 206 N LEU A 15 2.098 -2.308 -2.482 1.00 0.00 N ATOM 207 CA LEU A 15 1.499 -3.315 -1.580 1.00 0.00 C ATOM 208 C LEU A 15 1.744 -4.690 -2.185 1.00 0.00 C ATOM 209 O LEU A 15 2.164 -5.614 -1.524 1.00 0.00 O ATOM 210 CB LEU A 15 0.004 -3.053 -1.489 1.00 0.00 C ATOM 211 CG LEU A 15 -0.292 -2.249 -0.227 1.00 0.00 C ATOM 212 CD1 LEU A 15 -1.577 -1.465 -0.407 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.469 -3.203 0.947 1.00 0.00 C ATOM 0 H LEU A 15 1.440 -1.633 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 15 1.938 -3.262 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.335 -2.507 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.541 -3.996 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 15 0.535 -1.565 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.784 -0.893 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.472 -0.784 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.400 -2.154 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.681 -2.632 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.298 -3.881 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.445 -3.780 1.088 1.00 0.00 H new ATOM 225 N TYR A 16 1.515 -4.805 -3.458 1.00 0.00 N ATOM 226 CA TYR A 16 1.752 -6.093 -4.164 1.00 0.00 C ATOM 227 C TYR A 16 3.211 -6.479 -3.945 1.00 0.00 C ATOM 228 O TYR A 16 3.601 -7.624 -4.060 1.00 0.00 O ATOM 229 CB TYR A 16 1.480 -5.875 -5.654 1.00 0.00 C ATOM 230 CG TYR A 16 2.158 -6.926 -6.483 1.00 0.00 C ATOM 231 CD1 TYR A 16 1.591 -8.198 -6.600 1.00 0.00 C ATOM 232 CD2 TYR A 16 3.350 -6.619 -7.143 1.00 0.00 C ATOM 233 CE1 TYR A 16 2.222 -9.171 -7.383 1.00 0.00 C ATOM 234 CE2 TYR A 16 3.984 -7.589 -7.927 1.00 0.00 C ATOM 235 CZ TYR A 16 3.420 -8.869 -8.048 1.00 0.00 C ATOM 236 OH TYR A 16 4.045 -9.828 -8.821 1.00 0.00 O ATOM 0 H TYR A 16 1.168 -4.051 -4.050 1.00 0.00 H new ATOM 0 HA TYR A 16 1.102 -6.885 -3.791 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.406 -5.898 -5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.834 -4.888 -5.951 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.669 -8.429 -6.088 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.782 -5.634 -7.048 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.787 -10.155 -7.476 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.906 -7.354 -8.438 1.00 0.00 H new ATOM 0 HH TYR A 16 4.862 -9.452 -9.211 1.00 0.00 H new ATOM 246 N LEU A 17 4.005 -5.506 -3.625 1.00 0.00 N ATOM 247 CA LEU A 17 5.445 -5.734 -3.380 1.00 0.00 C ATOM 248 C LEU A 17 5.650 -6.075 -1.911 1.00 0.00 C ATOM 249 O LEU A 17 6.046 -7.165 -1.550 1.00 0.00 O ATOM 250 CB LEU A 17 6.172 -4.432 -3.697 1.00 0.00 C ATOM 251 CG LEU A 17 7.089 -4.605 -4.907 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.405 -5.469 -5.974 1.00 0.00 C ATOM 253 CD2 LEU A 17 7.394 -3.228 -5.499 1.00 0.00 C ATOM 0 H LEU A 17 3.707 -4.536 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 17 5.822 -6.550 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.446 -3.643 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.757 -4.117 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 17 8.010 -5.095 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.070 -5.584 -6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.178 -6.450 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.481 -4.988 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.048 -3.340 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.464 -2.750 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.888 -2.611 -4.749 1.00 0.00 H new ATOM 265 N VAL A 18 5.381 -5.129 -1.069 1.00 0.00 N ATOM 266 CA VAL A 18 5.549 -5.347 0.400 1.00 0.00 C ATOM 267 C VAL A 18 4.848 -6.631 0.808 1.00 0.00 C ATOM 268 O VAL A 18 5.224 -7.282 1.763 1.00 0.00 O ATOM 269 CB VAL A 18 4.943 -4.187 1.202 1.00 0.00 C ATOM 270 CG1 VAL A 18 6.066 -3.329 1.758 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.047 -3.326 0.318 1.00 0.00 C ATOM 0 H VAL A 18 5.048 -4.201 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 18 6.617 -5.409 0.611 1.00 0.00 H new ATOM 0 HB VAL A 18 4.341 -4.599 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.644 -2.502 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.698 -3.934 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.663 -2.934 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.629 -2.511 0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.633 -2.915 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.237 -3.936 -0.083 1.00 0.00 H new ATOM 281 N CYS A 19 3.826 -6.997 0.101 1.00 0.00 N ATOM 282 CA CYS A 19 3.097 -8.240 0.465 1.00 0.00 C ATOM 283 C CYS A 19 3.767 -9.433 -0.203 1.00 0.00 C ATOM 284 O CYS A 19 4.314 -10.303 0.447 1.00 0.00 O ATOM 285 CB CYS A 19 1.638 -8.150 0.009 1.00 0.00 C ATOM 286 SG CYS A 19 0.559 -8.224 1.451 1.00 0.00 S ATOM 0 H CYS A 19 3.462 -6.495 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 19 3.122 -8.363 1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.472 -7.221 -0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.407 -8.967 -0.675 1.00 0.00 H new ATOM 291 N GLY A 20 3.724 -9.476 -1.498 1.00 0.00 N ATOM 292 CA GLY A 20 4.352 -10.609 -2.228 1.00 0.00 C ATOM 293 C GLY A 20 3.506 -11.867 -2.037 1.00 0.00 C ATOM 294 O GLY A 20 2.855 -12.334 -2.951 1.00 0.00 O ATOM 0 H GLY A 20 3.279 -8.773 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.436 -10.371 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.363 -10.778 -1.859 1.00 0.00 H new ATOM 298 N GLU A 21 3.510 -12.422 -0.855 1.00 0.00 N ATOM 299 CA GLU A 21 2.707 -13.653 -0.607 1.00 0.00 C ATOM 300 C GLU A 21 1.911 -13.504 0.693 1.00 0.00 C ATOM 301 O GLU A 21 1.169 -14.386 1.079 1.00 0.00 O ATOM 302 CB GLU A 21 3.646 -14.852 -0.491 1.00 0.00 C ATOM 303 CG GLU A 21 3.931 -15.413 -1.886 1.00 0.00 C ATOM 304 CD GLU A 21 2.858 -16.441 -2.251 1.00 0.00 C ATOM 305 OE1 GLU A 21 2.341 -17.076 -1.346 1.00 0.00 O ATOM 306 OE2 GLU A 21 2.573 -16.577 -3.430 1.00 0.00 O ATOM 0 H GLU A 21 4.034 -12.076 -0.051 1.00 0.00 H new ATOM 0 HA GLU A 21 2.015 -13.804 -1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.577 -14.553 -0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.196 -15.621 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.941 -14.606 -2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.917 -15.877 -1.909 1.00 0.00 H new ATOM 313 N ARG A 22 2.056 -12.400 1.374 1.00 0.00 N ATOM 314 CA ARG A 22 1.307 -12.204 2.647 1.00 0.00 C ATOM 315 C ARG A 22 -0.184 -12.042 2.347 1.00 0.00 C ATOM 316 O ARG A 22 -1.012 -12.077 3.233 1.00 0.00 O ATOM 317 CB ARG A 22 1.820 -10.948 3.354 1.00 0.00 C ATOM 318 CG ARG A 22 3.326 -11.076 3.595 1.00 0.00 C ATOM 319 CD ARG A 22 3.579 -11.973 4.807 1.00 0.00 C ATOM 320 NE ARG A 22 2.985 -11.347 6.022 1.00 0.00 N ATOM 321 CZ ARG A 22 3.762 -10.823 6.930 1.00 0.00 C ATOM 322 NH1 ARG A 22 4.817 -11.472 7.341 1.00 0.00 N ATOM 323 NH2 ARG A 22 3.483 -9.649 7.430 1.00 0.00 N ATOM 0 H ARG A 22 2.661 -11.625 1.103 1.00 0.00 H new ATOM 0 HA ARG A 22 1.456 -13.072 3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.612 -10.066 2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.299 -10.813 4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.811 -11.494 2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.762 -10.091 3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.142 -12.958 4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.650 -12.119 4.947 1.00 0.00 H new ATOM 0 HE ARG A 22 1.972 -11.328 6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.035 -12.390 6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.424 -11.062 8.051 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.658 -9.142 7.111 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.090 -9.240 8.140 1.00 0.00 H new ATOM 337 N GLY A 23 -0.534 -11.858 1.103 1.00 0.00 N ATOM 338 CA GLY A 23 -1.973 -11.686 0.754 1.00 0.00 C ATOM 339 C GLY A 23 -2.468 -10.342 1.291 1.00 0.00 C ATOM 340 O GLY A 23 -2.945 -10.243 2.402 1.00 0.00 O ATOM 0 H GLY A 23 0.113 -11.819 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.104 -11.729 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.562 -12.499 1.179 1.00 0.00 H new ATOM 344 N PHE A 24 -2.349 -9.304 0.510 1.00 0.00 N ATOM 345 CA PHE A 24 -2.805 -7.963 0.974 1.00 0.00 C ATOM 346 C PHE A 24 -4.303 -7.803 0.705 1.00 0.00 C ATOM 347 O PHE A 24 -4.966 -8.703 0.225 1.00 0.00 O ATOM 348 CB PHE A 24 -2.035 -6.869 0.215 1.00 0.00 C ATOM 349 CG PHE A 24 -2.864 -6.366 -0.949 1.00 0.00 C ATOM 350 CD1 PHE A 24 -2.961 -7.123 -2.125 1.00 0.00 C ATOM 351 CD2 PHE A 24 -3.554 -5.155 -0.836 1.00 0.00 C ATOM 352 CE1 PHE A 24 -3.747 -6.661 -3.189 1.00 0.00 C ATOM 353 CE2 PHE A 24 -4.342 -4.695 -1.896 1.00 0.00 C ATOM 354 CZ PHE A 24 -4.437 -5.446 -3.074 1.00 0.00 C ATOM 0 H PHE A 24 -1.955 -9.326 -0.431 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.617 -7.871 2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.800 -6.044 0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.086 -7.265 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.431 -8.060 -2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.478 -4.574 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.821 -7.241 -4.097 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.877 -3.761 -1.806 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.042 -5.089 -3.894 1.00 0.00 H new ATOM 364 N PHE A 25 -4.820 -6.641 0.982 1.00 0.00 N ATOM 365 CA PHE A 25 -6.256 -6.378 0.715 1.00 0.00 C ATOM 366 C PHE A 25 -6.493 -4.878 0.718 1.00 0.00 C ATOM 367 O PHE A 25 -5.690 -4.111 1.211 1.00 0.00 O ATOM 368 CB PHE A 25 -7.115 -7.008 1.801 1.00 0.00 C ATOM 369 CG PHE A 25 -6.812 -6.322 3.105 1.00 0.00 C ATOM 370 CD1 PHE A 25 -7.356 -5.060 3.379 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.971 -6.939 4.030 1.00 0.00 C ATOM 372 CE1 PHE A 25 -7.055 -4.418 4.588 1.00 0.00 C ATOM 373 CE2 PHE A 25 -5.670 -6.303 5.240 1.00 0.00 C ATOM 374 CZ PHE A 25 -6.211 -5.040 5.520 1.00 0.00 C ATOM 0 H PHE A 25 -4.305 -5.858 1.384 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.522 -6.806 -0.252 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.172 -6.905 1.555 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.907 -8.075 1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.006 -4.583 2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.551 -7.910 3.812 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.473 -3.445 4.802 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.022 -6.785 5.957 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.978 -4.547 6.452 1.00 0.00 H new ATOM 384 N TYR A 26 -7.604 -4.456 0.208 1.00 0.00 N ATOM 385 CA TYR A 26 -7.912 -3.012 0.220 1.00 0.00 C ATOM 386 C TYR A 26 -8.940 -2.776 1.324 1.00 0.00 C ATOM 387 O TYR A 26 -9.953 -3.446 1.392 1.00 0.00 O ATOM 388 CB TYR A 26 -8.489 -2.604 -1.131 1.00 0.00 C ATOM 389 CG TYR A 26 -7.765 -1.382 -1.648 1.00 0.00 C ATOM 390 CD1 TYR A 26 -7.969 -0.137 -1.035 1.00 0.00 C ATOM 391 CD2 TYR A 26 -6.895 -1.489 -2.742 1.00 0.00 C ATOM 392 CE1 TYR A 26 -7.303 0.999 -1.518 1.00 0.00 C ATOM 393 CE2 TYR A 26 -6.229 -0.353 -3.224 1.00 0.00 C ATOM 394 CZ TYR A 26 -6.434 0.890 -2.610 1.00 0.00 C ATOM 395 OH TYR A 26 -5.781 2.009 -3.083 1.00 0.00 O ATOM 0 H TYR A 26 -8.315 -5.051 -0.218 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.015 -2.421 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.390 -3.424 -1.842 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.554 -2.393 -1.033 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.638 -0.053 -0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.737 -2.447 -3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.461 1.958 -1.047 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.559 -0.436 -4.067 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.389 2.527 -3.650 1.00 0.00 H new ATOM 405 N THR A 27 -8.682 -1.861 2.207 1.00 0.00 N ATOM 406 CA THR A 27 -9.643 -1.625 3.327 1.00 0.00 C ATOM 407 C THR A 27 -10.839 -0.802 2.852 1.00 0.00 C ATOM 408 O THR A 27 -10.788 -0.132 1.841 1.00 0.00 O ATOM 409 CB THR A 27 -8.956 -0.877 4.469 1.00 0.00 C ATOM 410 OG1 THR A 27 -9.929 -0.145 5.201 1.00 0.00 O ATOM 411 CG2 THR A 27 -7.915 0.086 3.904 1.00 0.00 C ATOM 0 H THR A 27 -7.854 -1.266 2.208 1.00 0.00 H new ATOM 0 HA THR A 27 -9.989 -2.598 3.677 1.00 0.00 H new ATOM 0 HB THR A 27 -8.462 -1.593 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.493 0.335 5.936 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.428 0.617 4.722 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.169 -0.474 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.403 0.804 3.245 1.00 0.00 H new ATOM 419 N ASP A 28 -11.908 -0.862 3.602 1.00 0.00 N ATOM 420 CA ASP A 28 -13.149 -0.106 3.254 1.00 0.00 C ATOM 421 C ASP A 28 -13.301 -0.005 1.735 1.00 0.00 C ATOM 422 O ASP A 28 -13.258 1.070 1.176 1.00 0.00 O ATOM 423 CB ASP A 28 -13.087 1.298 3.865 1.00 0.00 C ATOM 424 CG ASP A 28 -14.360 2.070 3.511 1.00 0.00 C ATOM 425 OD1 ASP A 28 -15.431 1.499 3.636 1.00 0.00 O ATOM 426 OD2 ASP A 28 -14.242 3.220 3.121 1.00 0.00 O ATOM 0 H ASP A 28 -11.975 -1.414 4.457 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.011 -0.638 3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.980 1.230 4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.212 1.830 3.491 1.00 0.00 H new ATOM 431 N PRO A 29 -13.480 -1.140 1.118 1.00 0.00 N ATOM 432 CA PRO A 29 -13.650 -1.233 -0.340 1.00 0.00 C ATOM 433 C PRO A 29 -15.083 -0.856 -0.732 1.00 0.00 C ATOM 434 O PRO A 29 -15.840 -1.680 -1.209 1.00 0.00 O ATOM 435 CB PRO A 29 -13.381 -2.710 -0.636 1.00 0.00 C ATOM 436 CG PRO A 29 -13.638 -3.472 0.688 1.00 0.00 C ATOM 437 CD PRO A 29 -13.528 -2.438 1.819 1.00 0.00 C ATOM 0 HA PRO A 29 -12.993 -0.563 -0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.036 -3.074 -1.427 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.356 -2.858 -0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.624 -3.936 0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.910 -4.272 0.822 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -14.381 -2.494 2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.634 -2.599 2.421 1.00 0.00 H new ATOM 445 N THR A 30 -15.467 0.377 -0.534 1.00 0.00 N ATOM 446 CA THR A 30 -16.853 0.788 -0.892 1.00 0.00 C ATOM 447 C THR A 30 -16.808 1.915 -1.921 1.00 0.00 C ATOM 448 O THR A 30 -16.996 1.705 -3.103 1.00 0.00 O ATOM 449 CB THR A 30 -17.578 1.281 0.363 1.00 0.00 C ATOM 450 OG1 THR A 30 -16.644 1.901 1.234 1.00 0.00 O ATOM 451 CG2 THR A 30 -18.235 0.098 1.076 1.00 0.00 C ATOM 0 H THR A 30 -14.882 1.114 -0.141 1.00 0.00 H new ATOM 0 HA THR A 30 -17.383 -0.066 -1.313 1.00 0.00 H new ATOM 0 HB THR A 30 -18.345 2.001 0.079 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.518 1.343 2.030 1.00 0.00 H new ATOM 0 HG21 THR A 30 -18.750 0.452 1.969 1.00 0.00 H new ATOM 0 HG22 THR A 30 -18.953 -0.377 0.407 1.00 0.00 H new ATOM 0 HG23 THR A 30 -17.471 -0.625 1.361 1.00 0.00 H new ATOM 459 N GLY A 31 -16.570 3.108 -1.471 1.00 0.00 N ATOM 460 CA GLY A 31 -16.518 4.268 -2.409 1.00 0.00 C ATOM 461 C GLY A 31 -15.072 4.520 -2.840 1.00 0.00 C ATOM 462 O GLY A 31 -14.240 3.636 -2.805 1.00 0.00 O ATOM 0 H GLY A 31 -16.408 3.337 -0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.138 4.069 -3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.924 5.157 -1.926 1.00 0.00 H new ATOM 466 N GLY A 32 -14.768 5.723 -3.248 1.00 0.00 N ATOM 467 CA GLY A 32 -13.376 6.033 -3.684 1.00 0.00 C ATOM 468 C GLY A 32 -12.580 6.587 -2.501 1.00 0.00 C ATOM 469 O GLY A 32 -13.129 7.184 -1.596 1.00 0.00 O ATOM 0 H GLY A 32 -15.423 6.504 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.896 5.133 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.392 6.759 -4.497 1.00 0.00 H new ATOM 473 N GLY A 33 -11.290 6.391 -2.500 1.00 0.00 N ATOM 474 CA GLY A 33 -10.453 6.902 -1.375 1.00 0.00 C ATOM 475 C GLY A 33 -11.160 6.639 -0.041 1.00 0.00 C ATOM 476 O GLY A 33 -11.370 7.549 0.735 1.00 0.00 O ATOM 0 H GLY A 33 -10.777 5.898 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.479 6.413 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.275 7.970 -1.498 1.00 0.00 H new ATOM 480 N PRO A 34 -11.493 5.395 0.193 1.00 0.00 N ATOM 481 CA PRO A 34 -12.174 4.976 1.432 1.00 0.00 C ATOM 482 C PRO A 34 -11.183 5.027 2.586 1.00 0.00 C ATOM 483 O PRO A 34 -11.420 5.642 3.606 1.00 0.00 O ATOM 484 CB PRO A 34 -12.627 3.546 1.131 1.00 0.00 C ATOM 485 CG PRO A 34 -11.726 3.037 -0.020 1.00 0.00 C ATOM 486 CD PRO A 34 -11.195 4.290 -0.741 1.00 0.00 C ATOM 0 HA PRO A 34 -13.013 5.610 1.718 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -12.526 2.913 2.012 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.677 3.524 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.905 2.434 0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.291 2.404 -0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.126 4.213 -0.940 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.688 4.436 -1.702 1.00 0.00 H new ATOM 494 N ARG A 35 -10.052 4.428 2.397 1.00 0.00 N ATOM 495 CA ARG A 35 -8.997 4.475 3.436 1.00 0.00 C ATOM 496 C ARG A 35 -8.030 5.569 3.017 1.00 0.00 C ATOM 497 O ARG A 35 -6.833 5.482 3.204 1.00 0.00 O ATOM 498 CB ARG A 35 -8.267 3.131 3.509 1.00 0.00 C ATOM 499 CG ARG A 35 -7.326 3.132 4.714 1.00 0.00 C ATOM 500 CD ARG A 35 -8.116 2.800 5.983 1.00 0.00 C ATOM 501 NE ARG A 35 -8.168 4.002 6.863 1.00 0.00 N ATOM 502 CZ ARG A 35 -8.982 4.029 7.885 1.00 0.00 C ATOM 503 NH1 ARG A 35 -8.796 3.218 8.890 1.00 0.00 N ATOM 504 NH2 ARG A 35 -9.980 4.870 7.900 1.00 0.00 N ATOM 0 H ARG A 35 -9.808 3.901 1.558 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.422 4.675 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.987 2.317 3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.702 2.960 2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.530 2.402 4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.849 4.107 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.126 2.482 5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.646 1.970 6.510 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.568 4.804 6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.015 2.562 8.878 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.432 3.240 9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.124 5.505 7.115 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.616 4.892 8.697 1.00 0.00 H new ATOM 518 N ARG A 36 -8.564 6.595 2.407 1.00 0.00 N ATOM 519 CA ARG A 36 -7.719 7.708 1.912 1.00 0.00 C ATOM 520 C ARG A 36 -6.598 8.041 2.897 1.00 0.00 C ATOM 521 O ARG A 36 -5.573 8.565 2.515 1.00 0.00 O ATOM 522 CB ARG A 36 -8.579 8.943 1.669 1.00 0.00 C ATOM 523 CG ARG A 36 -9.326 9.312 2.951 1.00 0.00 C ATOM 524 CD ARG A 36 -8.709 10.575 3.556 1.00 0.00 C ATOM 525 NE ARG A 36 -9.728 11.661 3.581 1.00 0.00 N ATOM 526 CZ ARG A 36 -10.749 11.577 4.389 1.00 0.00 C ATOM 527 NH1 ARG A 36 -10.563 11.300 5.650 1.00 0.00 N ATOM 528 NH2 ARG A 36 -11.957 11.768 3.934 1.00 0.00 N ATOM 0 H ARG A 36 -9.563 6.705 2.231 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.260 7.391 0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.953 9.776 1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.290 8.751 0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.381 9.478 2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.272 8.490 3.665 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.354 10.371 4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.844 10.887 2.971 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.628 12.469 2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.619 11.149 6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.362 11.235 6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.102 11.983 2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.756 11.703 4.565 1.00 0.00 H new ATOM 542 N GLY A 37 -6.752 7.740 4.151 1.00 0.00 N ATOM 543 CA GLY A 37 -5.650 8.044 5.100 1.00 0.00 C ATOM 544 C GLY A 37 -4.367 7.482 4.496 1.00 0.00 C ATOM 545 O GLY A 37 -3.341 8.131 4.446 1.00 0.00 O ATOM 0 H GLY A 37 -7.579 7.303 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.563 9.119 5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.846 7.595 6.074 1.00 0.00 H new ATOM 549 N ILE A 38 -4.444 6.276 4.007 1.00 0.00 N ATOM 550 CA ILE A 38 -3.260 5.640 3.360 1.00 0.00 C ATOM 551 C ILE A 38 -3.320 5.899 1.848 1.00 0.00 C ATOM 552 O ILE A 38 -2.311 5.924 1.170 1.00 0.00 O ATOM 553 CB ILE A 38 -3.236 4.131 3.681 1.00 0.00 C ATOM 554 CG1 ILE A 38 -2.579 3.328 2.528 1.00 0.00 C ATOM 555 CG2 ILE A 38 -4.657 3.630 3.960 1.00 0.00 C ATOM 556 CD1 ILE A 38 -3.631 2.618 1.662 1.00 0.00 C ATOM 0 H ILE A 38 -5.284 5.698 4.028 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.337 6.072 3.747 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.632 3.976 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.989 4.001 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.891 2.591 2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.629 2.564 4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.073 4.170 4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.281 3.799 3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.133 2.066 0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.204 1.926 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.303 3.358 1.226 1.00 0.00 H new ATOM 568 N VAL A 39 -4.496 6.097 1.320 1.00 0.00 N ATOM 569 CA VAL A 39 -4.631 6.361 -0.144 1.00 0.00 C ATOM 570 C VAL A 39 -4.370 7.849 -0.412 1.00 0.00 C ATOM 571 O VAL A 39 -3.456 8.210 -1.127 1.00 0.00 O ATOM 572 CB VAL A 39 -6.043 5.935 -0.603 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.643 6.960 -1.572 1.00 0.00 C ATOM 574 CG2 VAL A 39 -5.943 4.585 -1.315 1.00 0.00 C ATOM 0 H VAL A 39 -5.374 6.088 1.840 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.901 5.783 -0.711 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.687 5.867 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.637 6.633 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.716 7.929 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.004 7.048 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.934 4.273 -1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.286 4.678 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.538 3.841 -0.629 1.00 0.00 H new ATOM 584 N GLU A 40 -5.150 8.710 0.172 1.00 0.00 N ATOM 585 CA GLU A 40 -4.944 10.165 -0.021 1.00 0.00 C ATOM 586 C GLU A 40 -3.534 10.518 0.445 1.00 0.00 C ATOM 587 O GLU A 40 -3.004 11.565 0.134 1.00 0.00 O ATOM 588 CB GLU A 40 -5.975 10.940 0.811 1.00 0.00 C ATOM 589 CG GLU A 40 -5.537 12.401 0.954 1.00 0.00 C ATOM 590 CD GLU A 40 -6.766 13.311 0.894 1.00 0.00 C ATOM 591 OE1 GLU A 40 -7.864 12.802 1.037 1.00 0.00 O ATOM 592 OE2 GLU A 40 -6.586 14.503 0.707 1.00 0.00 O ATOM 0 H GLU A 40 -5.930 8.463 0.781 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.065 10.429 -1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.953 10.890 0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.078 10.484 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.012 12.543 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.839 12.662 0.159 1.00 0.00 H new ATOM 599 N GLN A 41 -2.924 9.646 1.197 1.00 0.00 N ATOM 600 CA GLN A 41 -1.551 9.916 1.691 1.00 0.00 C ATOM 601 C GLN A 41 -0.542 9.596 0.587 1.00 0.00 C ATOM 602 O GLN A 41 -0.104 10.467 -0.131 1.00 0.00 O ATOM 603 CB GLN A 41 -1.290 9.048 2.923 1.00 0.00 C ATOM 604 CG GLN A 41 0.202 9.066 3.259 1.00 0.00 C ATOM 605 CD GLN A 41 0.399 9.554 4.695 1.00 0.00 C ATOM 606 OE1 GLN A 41 1.054 8.903 5.486 1.00 0.00 O ATOM 607 NE2 GLN A 41 -0.141 10.681 5.068 1.00 0.00 N ATOM 0 H GLN A 41 -3.322 8.754 1.491 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.447 10.966 1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.868 9.418 3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.618 8.026 2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.623 8.067 3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.733 9.719 2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.691 11.227 4.405 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.014 11.016 6.023 1.00 0.00 H new ATOM 616 N CYS A 42 -0.184 8.353 0.440 1.00 0.00 N ATOM 617 CA CYS A 42 0.784 7.961 -0.628 1.00 0.00 C ATOM 618 C CYS A 42 0.478 8.763 -1.895 1.00 0.00 C ATOM 619 O CYS A 42 1.362 9.241 -2.575 1.00 0.00 O ATOM 620 CB CYS A 42 0.607 6.473 -0.947 1.00 0.00 C ATOM 621 SG CYS A 42 1.420 5.433 0.296 1.00 0.00 S ATOM 0 H CYS A 42 -0.522 7.583 1.017 1.00 0.00 H new ATOM 0 HA CYS A 42 1.801 8.156 -0.289 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.455 6.231 -0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.021 6.258 -1.932 1.00 0.00 H new ATOM 626 N CYS A 43 -0.778 8.901 -2.219 1.00 0.00 N ATOM 627 CA CYS A 43 -1.161 9.647 -3.450 1.00 0.00 C ATOM 628 C CYS A 43 -0.877 11.147 -3.296 1.00 0.00 C ATOM 629 O CYS A 43 -0.223 11.746 -4.128 1.00 0.00 O ATOM 630 CB CYS A 43 -2.651 9.431 -3.723 1.00 0.00 C ATOM 631 SG CYS A 43 -2.984 9.734 -5.474 1.00 0.00 S ATOM 0 H CYS A 43 -1.559 8.527 -1.681 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.568 9.273 -4.285 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.938 8.414 -3.457 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.247 10.103 -3.105 1.00 0.00 H new ATOM 636 N HIS A 44 -1.367 11.766 -2.257 1.00 0.00 N ATOM 637 CA HIS A 44 -1.124 13.228 -2.085 1.00 0.00 C ATOM 638 C HIS A 44 0.238 13.449 -1.432 1.00 0.00 C ATOM 639 O HIS A 44 1.037 14.234 -1.895 1.00 0.00 O ATOM 640 CB HIS A 44 -2.226 13.827 -1.212 1.00 0.00 C ATOM 641 CG HIS A 44 -3.562 13.488 -1.807 1.00 0.00 C ATOM 642 ND1 HIS A 44 -4.156 12.281 -2.043 1.00 0.00 N flip ATOM 643 CD2 HIS A 44 -4.429 14.468 -2.239 1.00 0.00 C flip ATOM 644 CE1 HIS A 44 -5.388 12.498 -2.624 1.00 0.00 C flip ATOM 645 NE2 HIS A 44 -5.510 13.838 -2.722 1.00 0.00 N flip ATOM 0 H HIS A 44 -1.922 11.326 -1.523 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.133 13.717 -3.059 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.156 13.436 -0.197 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.107 14.908 -1.146 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.269 15.535 -2.197 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.104 11.752 -2.935 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.323 14.313 -3.114 1.00 0.00 H new ATOM 653 N SER A 45 0.514 12.753 -0.368 1.00 0.00 N ATOM 654 CA SER A 45 1.831 12.906 0.306 1.00 0.00 C ATOM 655 C SER A 45 2.736 11.743 -0.124 1.00 0.00 C ATOM 656 O SER A 45 2.944 11.522 -1.301 1.00 0.00 O ATOM 657 CB SER A 45 1.628 12.894 1.822 1.00 0.00 C ATOM 658 OG SER A 45 2.891 13.009 2.465 1.00 0.00 O ATOM 0 H SER A 45 -0.119 12.081 0.066 1.00 0.00 H new ATOM 0 HA SER A 45 2.297 13.850 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.979 13.717 2.120 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.134 11.972 2.127 1.00 0.00 H new ATOM 0 HG SER A 45 2.765 13.003 3.437 1.00 0.00 H new ATOM 664 N ILE A 46 3.269 10.989 0.801 1.00 0.00 N ATOM 665 CA ILE A 46 4.142 9.846 0.406 1.00 0.00 C ATOM 666 C ILE A 46 4.217 8.850 1.559 1.00 0.00 C ATOM 667 O ILE A 46 3.855 9.147 2.681 1.00 0.00 O ATOM 668 CB ILE A 46 5.560 10.362 0.076 1.00 0.00 C ATOM 669 CG1 ILE A 46 5.616 10.927 -1.354 1.00 0.00 C ATOM 670 CG2 ILE A 46 6.584 9.229 0.204 1.00 0.00 C ATOM 671 CD1 ILE A 46 5.676 12.451 -1.289 1.00 0.00 C ATOM 0 H ILE A 46 3.139 11.114 1.805 1.00 0.00 H new ATOM 0 HA ILE A 46 3.725 9.358 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 46 5.799 11.154 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.490 10.539 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.739 10.609 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.578 9.609 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.575 8.844 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.328 8.427 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.716 12.857 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.789 12.829 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.566 12.757 -0.740 1.00 0.00 H new ATOM 683 N CYS A 47 4.687 7.667 1.285 1.00 0.00 N ATOM 684 CA CYS A 47 4.789 6.644 2.368 1.00 0.00 C ATOM 685 C CYS A 47 5.987 5.734 2.098 1.00 0.00 C ATOM 686 O CYS A 47 6.917 6.110 1.412 1.00 0.00 O ATOM 687 CB CYS A 47 3.511 5.795 2.426 1.00 0.00 C ATOM 688 SG CYS A 47 2.117 6.700 1.703 1.00 0.00 S ATOM 0 H CYS A 47 5.004 7.362 0.365 1.00 0.00 H new ATOM 0 HA CYS A 47 4.918 7.155 3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.664 4.860 1.888 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.286 5.535 3.460 1.00 0.00 H new ATOM 693 N SER A 48 5.980 4.541 2.631 1.00 0.00 N ATOM 694 CA SER A 48 7.134 3.628 2.392 1.00 0.00 C ATOM 695 C SER A 48 6.730 2.177 2.660 1.00 0.00 C ATOM 696 O SER A 48 5.829 1.897 3.423 1.00 0.00 O ATOM 697 CB SER A 48 8.291 4.022 3.309 1.00 0.00 C ATOM 698 OG SER A 48 8.975 5.134 2.748 1.00 0.00 O ATOM 0 H SER A 48 5.234 4.163 3.215 1.00 0.00 H new ATOM 0 HA SER A 48 7.446 3.715 1.351 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.915 4.274 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.976 3.183 3.431 1.00 0.00 H new ATOM 0 HG SER A 48 8.484 5.459 1.965 1.00 0.00 H new ATOM 704 N LEU A 49 7.402 1.259 2.029 1.00 0.00 N ATOM 705 CA LEU A 49 7.083 -0.186 2.210 1.00 0.00 C ATOM 706 C LEU A 49 6.745 -0.476 3.662 1.00 0.00 C ATOM 707 O LEU A 49 5.866 -1.256 3.968 1.00 0.00 O ATOM 708 CB LEU A 49 8.308 -1.009 1.826 1.00 0.00 C ATOM 709 CG LEU A 49 8.387 -1.192 0.309 1.00 0.00 C ATOM 710 CD1 LEU A 49 7.828 0.032 -0.428 1.00 0.00 C ATOM 711 CD2 LEU A 49 9.851 -1.382 -0.075 1.00 0.00 C ATOM 0 H LEU A 49 8.170 1.449 1.386 1.00 0.00 H new ATOM 0 HA LEU A 49 6.229 -0.443 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.211 -0.514 2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.264 -1.983 2.312 1.00 0.00 H new ATOM 0 HG LEU A 49 7.792 -2.060 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.898 -0.128 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.784 0.179 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.404 0.916 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.930 -1.514 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.423 -0.504 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.248 -2.263 0.429 1.00 0.00 H new ATOM 723 N TYR A 50 7.445 0.142 4.553 1.00 0.00 N ATOM 724 CA TYR A 50 7.180 -0.100 5.996 1.00 0.00 C ATOM 725 C TYR A 50 5.722 0.238 6.286 1.00 0.00 C ATOM 726 O TYR A 50 5.007 -0.506 6.928 1.00 0.00 O ATOM 727 CB TYR A 50 8.121 0.768 6.849 1.00 0.00 C ATOM 728 CG TYR A 50 7.530 2.145 7.063 1.00 0.00 C ATOM 729 CD1 TYR A 50 6.487 2.320 7.980 1.00 0.00 C ATOM 730 CD2 TYR A 50 8.029 3.244 6.351 1.00 0.00 C ATOM 731 CE1 TYR A 50 5.940 3.592 8.187 1.00 0.00 C ATOM 732 CE2 TYR A 50 7.483 4.519 6.559 1.00 0.00 C ATOM 733 CZ TYR A 50 6.438 4.693 7.478 1.00 0.00 C ATOM 734 OH TYR A 50 5.900 5.947 7.683 1.00 0.00 O ATOM 0 H TYR A 50 8.192 0.807 4.352 1.00 0.00 H new ATOM 0 HA TYR A 50 7.363 -1.145 6.245 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.294 0.287 7.812 1.00 0.00 H new ATOM 0 HB3 TYR A 50 9.090 0.855 6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.104 1.472 8.529 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.833 3.109 5.643 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.134 3.725 8.893 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.867 5.367 6.011 1.00 0.00 H new ATOM 0 HH TYR A 50 6.361 6.598 7.113 1.00 0.00 H new ATOM 744 N GLN A 51 5.286 1.357 5.800 1.00 0.00 N ATOM 745 CA GLN A 51 3.875 1.778 6.015 1.00 0.00 C ATOM 746 C GLN A 51 2.960 0.890 5.166 1.00 0.00 C ATOM 747 O GLN A 51 1.879 0.523 5.583 1.00 0.00 O ATOM 748 CB GLN A 51 3.737 3.256 5.610 1.00 0.00 C ATOM 749 CG GLN A 51 2.311 3.564 5.145 1.00 0.00 C ATOM 750 CD GLN A 51 1.853 4.893 5.748 1.00 0.00 C ATOM 751 OE1 GLN A 51 1.475 5.799 5.033 1.00 0.00 O ATOM 752 NE2 GLN A 51 1.874 5.049 7.042 1.00 0.00 N ATOM 0 H GLN A 51 5.851 2.009 5.256 1.00 0.00 H new ATOM 0 HA GLN A 51 3.591 1.671 7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.994 3.894 6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.442 3.486 4.811 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.275 3.615 4.057 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.637 2.763 5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.191 4.288 7.642 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.573 5.932 7.454 1.00 0.00 H new ATOM 761 N LEU A 52 3.383 0.540 3.984 1.00 0.00 N ATOM 762 CA LEU A 52 2.529 -0.323 3.122 1.00 0.00 C ATOM 763 C LEU A 52 2.603 -1.764 3.625 1.00 0.00 C ATOM 764 O LEU A 52 1.741 -2.575 3.347 1.00 0.00 O ATOM 765 CB LEU A 52 3.022 -0.258 1.675 1.00 0.00 C ATOM 766 CG LEU A 52 2.683 1.110 1.079 1.00 0.00 C ATOM 767 CD1 LEU A 52 3.976 1.868 0.768 1.00 0.00 C ATOM 768 CD2 LEU A 52 1.885 0.921 -0.213 1.00 0.00 C ATOM 0 H LEU A 52 4.279 0.812 3.579 1.00 0.00 H new ATOM 0 HA LEU A 52 1.498 0.028 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.099 -0.425 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.557 -1.048 1.086 1.00 0.00 H new ATOM 0 HG LEU A 52 2.090 1.679 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.734 2.842 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.548 2.004 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.569 1.298 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.644 1.896 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.479 0.351 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.963 0.382 0.004 1.00 0.00 H new ATOM 780 N GLU A 53 3.620 -2.086 4.373 1.00 0.00 N ATOM 781 CA GLU A 53 3.744 -3.471 4.905 1.00 0.00 C ATOM 782 C GLU A 53 2.639 -3.707 5.927 1.00 0.00 C ATOM 783 O GLU A 53 2.262 -4.827 6.211 1.00 0.00 O ATOM 784 CB GLU A 53 5.104 -3.641 5.584 1.00 0.00 C ATOM 785 CG GLU A 53 5.391 -5.130 5.780 1.00 0.00 C ATOM 786 CD GLU A 53 6.511 -5.303 6.807 1.00 0.00 C ATOM 787 OE1 GLU A 53 7.424 -4.494 6.801 1.00 0.00 O ATOM 788 OE2 GLU A 53 6.436 -6.241 7.584 1.00 0.00 O ATOM 0 H GLU A 53 4.371 -1.450 4.639 1.00 0.00 H new ATOM 0 HA GLU A 53 3.657 -4.187 4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.886 -3.186 4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.109 -3.129 6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.491 -5.643 6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.679 -5.584 4.832 1.00 0.00 H new ATOM 795 N ASN A 54 2.122 -2.652 6.487 1.00 0.00 N ATOM 796 CA ASN A 54 1.041 -2.793 7.498 1.00 0.00 C ATOM 797 C ASN A 54 -0.323 -2.773 6.805 1.00 0.00 C ATOM 798 O ASN A 54 -1.335 -3.072 7.406 1.00 0.00 O ATOM 799 CB ASN A 54 1.126 -1.631 8.491 1.00 0.00 C ATOM 800 CG ASN A 54 2.521 -1.592 9.117 1.00 0.00 C ATOM 801 OD1 ASN A 54 3.303 -0.573 8.879 1.00 0.00 O flip ATOM 802 ND2 ASN A 54 2.906 -2.498 9.832 1.00 0.00 N flip ATOM 0 H ASN A 54 2.404 -1.692 6.287 1.00 0.00 H new ATOM 0 HA ASN A 54 1.160 -3.739 8.026 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.918 -0.689 7.983 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.371 -1.748 9.268 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.297 -3.294 10.019 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.838 -2.461 10.245 1.00 0.00 H new ATOM 809 N TYR A 55 -0.364 -2.416 5.548 1.00 0.00 N ATOM 810 CA TYR A 55 -1.672 -2.375 4.838 1.00 0.00 C ATOM 811 C TYR A 55 -1.913 -3.739 4.184 1.00 0.00 C ATOM 812 O TYR A 55 -2.850 -3.933 3.435 1.00 0.00 O ATOM 813 CB TYR A 55 -1.619 -1.272 3.785 1.00 0.00 C ATOM 814 CG TYR A 55 -1.671 0.046 4.518 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.611 0.245 5.537 1.00 0.00 C ATOM 816 CD2 TYR A 55 -0.740 1.049 4.219 1.00 0.00 C ATOM 817 CE1 TYR A 55 -2.619 1.447 6.257 1.00 0.00 C ATOM 818 CE2 TYR A 55 -0.752 2.254 4.933 1.00 0.00 C ATOM 819 CZ TYR A 55 -1.690 2.450 5.954 1.00 0.00 C ATOM 820 OH TYR A 55 -1.697 3.633 6.666 1.00 0.00 O ATOM 0 H TYR A 55 0.447 -2.153 4.987 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.488 -2.164 5.529 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.706 -1.348 3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.456 -1.361 3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.329 -0.528 5.768 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.012 0.893 3.437 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.341 1.600 7.045 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.039 3.030 4.697 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.988 4.221 6.331 1.00 0.00 H new ATOM 830 N CYS A 56 -1.056 -4.683 4.471 1.00 0.00 N ATOM 831 CA CYS A 56 -1.188 -6.050 3.896 1.00 0.00 C ATOM 832 C CYS A 56 -2.271 -6.829 4.646 1.00 0.00 C ATOM 833 O CYS A 56 -3.067 -6.265 5.370 1.00 0.00 O ATOM 834 CB CYS A 56 0.151 -6.770 4.051 1.00 0.00 C ATOM 835 SG CYS A 56 1.100 -6.607 2.525 1.00 0.00 S ATOM 0 H CYS A 56 -0.256 -4.560 5.092 1.00 0.00 H new ATOM 0 HA CYS A 56 -1.465 -5.983 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.709 -6.347 4.886 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.014 -7.823 4.279 1.00 0.00 H new ATOM 840 N ASN A 57 -2.299 -8.128 4.478 1.00 0.00 N ATOM 841 CA ASN A 57 -3.320 -8.959 5.178 1.00 0.00 C ATOM 842 C ASN A 57 -3.505 -8.453 6.609 1.00 0.00 C ATOM 843 O ASN A 57 -2.576 -7.858 7.131 1.00 0.00 O ATOM 844 CB ASN A 57 -2.855 -10.415 5.209 1.00 0.00 C ATOM 845 CG ASN A 57 -3.915 -11.305 4.557 1.00 0.00 C ATOM 846 OD1 ASN A 57 -5.091 -11.004 4.605 1.00 0.00 O ATOM 847 ND2 ASN A 57 -3.545 -12.396 3.944 1.00 0.00 N ATOM 848 OXT ASN A 57 -4.573 -8.666 7.160 1.00 0.00 O ATOM 0 H ASN A 57 -1.655 -8.648 3.883 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.269 -8.889 4.646 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.906 -10.516 4.682 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.683 -10.731 6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.243 -12.996 3.505 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.558 -12.649 3.904 1.00 0.00 H new TER 855 ASN A 57