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 1 PHE N :NH3+ -158:sc= -6.9! (180deg=-0.287) USER MOD Set 1.2: A 4 GLN : amide:sc= -5.8! C(o=-13!,f=-2.8!) USER MOD Single : A 3 ASN : amide:sc= -0.972 K(o=-0.97,f=-3.8!) USER MOD Single : A 5 HIS : no HD1:sc= -0.222! C(o=-0.22!,f=-5.6!) 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= -6.39! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0593 USER MOD Single : A 41 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.63) USER MOD Single : A 44 HIS : no HE2:sc= -0.921! C(o=-0.92!,f=-6.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0462 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.597 K(o=-0.6,f=-2.3!) USER MOD Single : A 54 ASN : amide:sc= -0.0208 X(o=-0.021,f=0.15) USER MOD Single : A 55 TYR OH : rot 101:sc= 0.25 USER MOD Single : A 57 ASN : amide:sc= -1.17! C(o=-1.2!,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -5.887 -12.308 2.640 1.00 0.00 N ATOM 2 CA PHE A 1 -5.673 -11.561 1.369 1.00 0.00 C ATOM 3 C PHE A 1 -6.608 -12.134 0.300 1.00 0.00 C ATOM 4 O PHE A 1 -6.315 -12.103 -0.879 1.00 0.00 O ATOM 5 CB PHE A 1 -4.210 -11.741 0.929 1.00 0.00 C ATOM 6 CG PHE A 1 -3.727 -10.648 0.008 1.00 0.00 C ATOM 7 CD1 PHE A 1 -4.600 -9.770 -0.644 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.352 -10.525 -0.185 1.00 0.00 C ATOM 9 CE1 PHE A 1 -4.085 -8.784 -1.480 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.841 -9.538 -1.015 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.703 -8.666 -1.664 1.00 0.00 C ATOM 0 H1 PHE A 1 -5.566 -11.728 3.442 1.00 0.00 H new ATOM 0 H2 PHE A 1 -6.899 -12.523 2.750 1.00 0.00 H new ATOM 0 H3 PHE A 1 -5.345 -13.196 2.616 1.00 0.00 H new ATOM 0 HA PHE A 1 -5.883 -10.501 1.509 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.573 -11.770 1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -4.104 -12.703 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.667 -9.857 -0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.678 -11.204 0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -4.755 -8.107 -1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.774 -9.449 -1.156 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.308 -7.897 -2.311 1.00 0.00 H new ATOM 23 N VAL A 2 -7.719 -12.688 0.711 1.00 0.00 N ATOM 24 CA VAL A 2 -8.668 -13.303 -0.267 1.00 0.00 C ATOM 25 C VAL A 2 -9.815 -12.336 -0.596 1.00 0.00 C ATOM 26 O VAL A 2 -9.723 -11.538 -1.507 1.00 0.00 O ATOM 27 CB VAL A 2 -9.235 -14.587 0.367 1.00 0.00 C ATOM 28 CG1 VAL A 2 -8.274 -15.756 0.123 1.00 0.00 C ATOM 29 CG2 VAL A 2 -9.403 -14.383 1.883 1.00 0.00 C ATOM 0 H VAL A 2 -8.012 -12.742 1.687 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.144 -13.529 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.202 -14.809 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.680 -16.661 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.151 -15.908 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.306 -15.531 0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.804 -15.292 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.435 -14.156 2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.089 -13.556 2.065 1.00 0.00 H new ATOM 39 N ASN A 3 -10.900 -12.418 0.132 1.00 0.00 N ATOM 40 CA ASN A 3 -12.077 -11.527 -0.132 1.00 0.00 C ATOM 41 C ASN A 3 -12.142 -10.423 0.920 1.00 0.00 C ATOM 42 O ASN A 3 -13.195 -9.893 1.213 1.00 0.00 O ATOM 43 CB ASN A 3 -13.367 -12.349 -0.078 1.00 0.00 C ATOM 44 CG ASN A 3 -13.211 -13.611 -0.925 1.00 0.00 C ATOM 45 OD1 ASN A 3 -12.446 -14.492 -0.592 1.00 0.00 O ATOM 46 ND2 ASN A 3 -13.917 -13.738 -2.012 1.00 0.00 N ATOM 0 H ASN A 3 -11.024 -13.070 0.906 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.967 -11.080 -1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.595 -12.618 0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -14.204 -11.755 -0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -13.827 -14.578 -2.583 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -14.560 -12.997 -2.292 1.00 0.00 H new ATOM 53 N GLN A 4 -11.028 -10.077 1.498 1.00 0.00 N ATOM 54 CA GLN A 4 -11.017 -9.012 2.544 1.00 0.00 C ATOM 55 C GLN A 4 -10.651 -7.669 1.908 1.00 0.00 C ATOM 56 O GLN A 4 -10.060 -7.605 0.849 1.00 0.00 O ATOM 57 CB GLN A 4 -9.995 -9.381 3.634 1.00 0.00 C ATOM 58 CG GLN A 4 -8.848 -10.195 3.023 1.00 0.00 C ATOM 59 CD GLN A 4 -7.801 -10.494 4.095 1.00 0.00 C ATOM 60 OE1 GLN A 4 -7.222 -9.592 4.667 1.00 0.00 O ATOM 61 NE2 GLN A 4 -7.534 -11.736 4.392 1.00 0.00 N ATOM 0 H GLN A 4 -10.117 -10.487 1.291 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.006 -8.929 2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.603 -8.476 4.098 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.482 -9.957 4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.232 -11.126 2.606 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.394 -9.641 2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.021 -12.492 3.910 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.838 -11.951 5.106 1.00 0.00 H new ATOM 70 N HIS A 5 -11.019 -6.597 2.554 1.00 0.00 N ATOM 71 CA HIS A 5 -10.725 -5.241 2.014 1.00 0.00 C ATOM 72 C HIS A 5 -9.382 -4.741 2.549 1.00 0.00 C ATOM 73 O HIS A 5 -9.100 -4.823 3.728 1.00 0.00 O ATOM 74 CB HIS A 5 -11.831 -4.284 2.458 1.00 0.00 C ATOM 75 CG HIS A 5 -11.822 -4.164 3.958 1.00 0.00 C ATOM 76 ND1 HIS A 5 -11.645 -5.264 4.787 1.00 0.00 N ATOM 77 CD2 HIS A 5 -11.967 -3.084 4.793 1.00 0.00 C ATOM 78 CE1 HIS A 5 -11.687 -4.825 6.059 1.00 0.00 C ATOM 79 NE2 HIS A 5 -11.881 -3.507 6.114 1.00 0.00 N ATOM 0 H HIS A 5 -11.517 -6.604 3.444 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.678 -5.287 0.926 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.682 -3.304 2.004 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.800 -4.649 2.118 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -12.124 -2.064 4.473 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -11.577 -5.460 6.926 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.952 -2.929 6.952 1.00 0.00 H new ATOM 87 N LEU A 6 -8.554 -4.213 1.687 1.00 0.00 N ATOM 88 CA LEU A 6 -7.227 -3.691 2.129 1.00 0.00 C ATOM 89 C LEU A 6 -7.369 -2.197 2.436 1.00 0.00 C ATOM 90 O LEU A 6 -7.806 -1.423 1.608 1.00 0.00 O ATOM 91 CB LEU A 6 -6.195 -3.887 0.996 1.00 0.00 C ATOM 92 CG LEU A 6 -5.450 -5.247 1.101 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.330 -6.361 1.693 1.00 0.00 C ATOM 94 CD2 LEU A 6 -4.993 -5.673 -0.299 1.00 0.00 C ATOM 0 H LEU A 6 -8.741 -4.120 0.689 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.891 -4.226 3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.701 -3.827 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.469 -3.075 1.026 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.602 -5.104 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.759 -7.288 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.650 -6.078 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.205 -6.508 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.469 -6.627 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.862 -5.778 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.323 -4.917 -0.709 1.00 0.00 H new ATOM 106 N CYS A 7 -6.996 -1.785 3.619 1.00 0.00 N ATOM 107 CA CYS A 7 -7.099 -0.340 3.985 1.00 0.00 C ATOM 108 C CYS A 7 -5.873 0.061 4.807 1.00 0.00 C ATOM 109 O CYS A 7 -5.563 -0.541 5.816 1.00 0.00 O ATOM 110 CB CYS A 7 -8.366 -0.115 4.811 1.00 0.00 C ATOM 111 SG CYS A 7 -9.812 -0.598 3.836 1.00 0.00 S ATOM 0 H CYS A 7 -6.623 -2.389 4.351 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.145 0.266 3.080 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.322 -0.698 5.731 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.443 0.933 5.101 1.00 0.00 H new ATOM 116 N GLY A 8 -5.177 1.078 4.382 1.00 0.00 N ATOM 117 CA GLY A 8 -3.969 1.528 5.136 1.00 0.00 C ATOM 118 C GLY A 8 -2.832 0.513 4.968 1.00 0.00 C ATOM 119 O GLY A 8 -2.729 -0.160 3.962 1.00 0.00 O ATOM 0 H GLY A 8 -5.391 1.619 3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.650 2.506 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.212 1.641 6.192 1.00 0.00 H new ATOM 123 N SER A 9 -1.972 0.409 5.949 1.00 0.00 N ATOM 124 CA SER A 9 -0.828 -0.550 5.861 1.00 0.00 C ATOM 125 C SER A 9 -1.307 -1.898 5.317 1.00 0.00 C ATOM 126 O SER A 9 -0.563 -2.614 4.678 1.00 0.00 O ATOM 127 CB SER A 9 -0.228 -0.752 7.252 1.00 0.00 C ATOM 128 OG SER A 9 0.327 0.476 7.707 1.00 0.00 O ATOM 0 H SER A 9 -2.013 0.950 6.813 1.00 0.00 H new ATOM 0 HA SER A 9 -0.075 -0.142 5.187 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.995 -1.097 7.945 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.542 -1.523 7.220 1.00 0.00 H new ATOM 0 HG SER A 9 0.711 0.350 8.600 1.00 0.00 H new ATOM 134 N ASP A 10 -2.542 -2.254 5.557 1.00 0.00 N ATOM 135 CA ASP A 10 -3.050 -3.556 5.042 1.00 0.00 C ATOM 136 C ASP A 10 -2.686 -3.678 3.562 1.00 0.00 C ATOM 137 O ASP A 10 -2.131 -4.667 3.126 1.00 0.00 O ATOM 138 CB ASP A 10 -4.572 -3.607 5.205 1.00 0.00 C ATOM 139 CG ASP A 10 -4.923 -3.922 6.661 1.00 0.00 C ATOM 140 OD1 ASP A 10 -4.224 -3.438 7.536 1.00 0.00 O ATOM 141 OD2 ASP A 10 -5.885 -4.641 6.876 1.00 0.00 O ATOM 0 H ASP A 10 -3.217 -1.701 6.085 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.602 -4.379 5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.011 -2.653 4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.993 -4.367 4.546 1.00 0.00 H new ATOM 146 N LEU A 11 -2.992 -2.675 2.790 1.00 0.00 N ATOM 147 CA LEU A 11 -2.661 -2.726 1.342 1.00 0.00 C ATOM 148 C LEU A 11 -1.160 -2.980 1.177 1.00 0.00 C ATOM 149 O LEU A 11 -0.747 -3.899 0.499 1.00 0.00 O ATOM 150 CB LEU A 11 -3.033 -1.388 0.680 1.00 0.00 C ATOM 151 CG LEU A 11 -2.521 -1.350 -0.767 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.971 -2.593 -1.520 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.082 -0.120 -1.484 1.00 0.00 C ATOM 0 H LEU A 11 -3.457 -1.822 3.100 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.223 -3.530 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.115 -1.256 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.604 -0.562 1.247 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.432 -1.308 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.601 -2.552 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.575 -3.481 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.060 -2.638 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.715 -0.098 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.171 -0.167 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.760 0.782 -0.964 1.00 0.00 H new ATOM 165 N VAL A 12 -0.343 -2.164 1.785 1.00 0.00 N ATOM 166 CA VAL A 12 1.133 -2.347 1.658 1.00 0.00 C ATOM 167 C VAL A 12 1.496 -3.817 1.875 1.00 0.00 C ATOM 168 O VAL A 12 1.956 -4.491 0.975 1.00 0.00 O ATOM 169 CB VAL A 12 1.848 -1.496 2.711 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.356 -1.491 2.433 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.320 -0.060 2.657 1.00 0.00 C ATOM 0 H VAL A 12 -0.633 -1.377 2.365 1.00 0.00 H new ATOM 0 HA VAL A 12 1.444 -2.039 0.660 1.00 0.00 H new ATOM 0 HB VAL A 12 1.661 -1.917 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.862 -0.885 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.737 -2.511 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.542 -1.073 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.830 0.544 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.505 0.359 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.249 -0.059 2.858 1.00 0.00 H new ATOM 181 N GLU A 13 1.300 -4.320 3.064 1.00 0.00 N ATOM 182 CA GLU A 13 1.642 -5.746 3.335 1.00 0.00 C ATOM 183 C GLU A 13 1.071 -6.621 2.224 1.00 0.00 C ATOM 184 O GLU A 13 1.592 -7.673 1.922 1.00 0.00 O ATOM 185 CB GLU A 13 1.043 -6.171 4.676 1.00 0.00 C ATOM 186 CG GLU A 13 1.558 -5.250 5.783 1.00 0.00 C ATOM 187 CD GLU A 13 0.966 -5.683 7.126 1.00 0.00 C ATOM 188 OE1 GLU A 13 -0.066 -6.334 7.113 1.00 0.00 O ATOM 189 OE2 GLU A 13 1.555 -5.356 8.143 1.00 0.00 O ATOM 0 H GLU A 13 0.918 -3.806 3.858 1.00 0.00 H new ATOM 0 HA GLU A 13 2.725 -5.860 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.045 -6.127 4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.312 -7.205 4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.647 -5.288 5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.283 -4.217 5.569 1.00 0.00 H new ATOM 196 N ALA A 14 0.003 -6.192 1.611 1.00 0.00 N ATOM 197 CA ALA A 14 -0.598 -6.998 0.516 1.00 0.00 C ATOM 198 C ALA A 14 0.200 -6.770 -0.774 1.00 0.00 C ATOM 199 O ALA A 14 0.688 -7.703 -1.377 1.00 0.00 O ATOM 200 CB ALA A 14 -2.077 -6.598 0.343 1.00 0.00 C ATOM 0 H ALA A 14 -0.478 -5.318 1.822 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.559 -8.060 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.522 -7.187 -0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.616 -6.785 1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.141 -5.539 0.094 1.00 0.00 H new ATOM 206 N LEU A 15 0.361 -5.547 -1.208 1.00 0.00 N ATOM 207 CA LEU A 15 1.146 -5.331 -2.456 1.00 0.00 C ATOM 208 C LEU A 15 2.488 -6.059 -2.323 1.00 0.00 C ATOM 209 O LEU A 15 3.031 -6.561 -3.286 1.00 0.00 O ATOM 210 CB LEU A 15 1.411 -3.837 -2.691 1.00 0.00 C ATOM 211 CG LEU A 15 0.145 -3.130 -3.229 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.204 -1.626 -2.913 1.00 0.00 C ATOM 213 CD2 LEU A 15 0.053 -3.294 -4.752 1.00 0.00 C ATOM 0 H LEU A 15 -0.008 -4.707 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 15 0.575 -5.717 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.726 -3.368 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.229 -3.716 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.724 -3.581 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.692 -1.138 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.262 -1.483 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.084 -1.189 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.842 -2.792 -5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.933 -2.853 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.003 -4.354 -5.001 1.00 0.00 H new ATOM 225 N TYR A 16 3.028 -6.111 -1.134 1.00 0.00 N ATOM 226 CA TYR A 16 4.336 -6.798 -0.940 1.00 0.00 C ATOM 227 C TYR A 16 4.296 -8.198 -1.566 1.00 0.00 C ATOM 228 O TYR A 16 5.177 -8.563 -2.316 1.00 0.00 O ATOM 229 CB TYR A 16 4.649 -6.887 0.554 1.00 0.00 C ATOM 230 CG TYR A 16 5.940 -7.651 0.755 1.00 0.00 C ATOM 231 CD1 TYR A 16 7.142 -7.146 0.242 1.00 0.00 C ATOM 232 CD2 TYR A 16 5.935 -8.861 1.455 1.00 0.00 C ATOM 233 CE1 TYR A 16 8.335 -7.853 0.429 1.00 0.00 C ATOM 234 CE2 TYR A 16 7.129 -9.569 1.643 1.00 0.00 C ATOM 235 CZ TYR A 16 8.329 -9.064 1.130 1.00 0.00 C ATOM 236 OH TYR A 16 9.506 -9.761 1.315 1.00 0.00 O ATOM 0 H TYR A 16 2.620 -5.708 -0.291 1.00 0.00 H new ATOM 0 HA TYR A 16 5.121 -6.225 -1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.736 -5.887 0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.834 -7.386 1.078 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.148 -6.211 -0.298 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.009 -9.251 1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.261 -7.464 0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.123 -10.504 2.184 1.00 0.00 H new ATOM 0 HH TYR A 16 9.325 -10.579 1.823 1.00 0.00 H new ATOM 246 N LEU A 17 3.289 -8.988 -1.288 1.00 0.00 N ATOM 247 CA LEU A 17 3.239 -10.348 -1.907 1.00 0.00 C ATOM 248 C LEU A 17 2.991 -10.193 -3.403 1.00 0.00 C ATOM 249 O LEU A 17 3.686 -10.752 -4.228 1.00 0.00 O ATOM 250 CB LEU A 17 2.086 -11.174 -1.332 1.00 0.00 C ATOM 251 CG LEU A 17 2.240 -11.368 0.183 1.00 0.00 C ATOM 252 CD1 LEU A 17 1.945 -10.053 0.926 1.00 0.00 C ATOM 253 CD2 LEU A 17 1.263 -12.464 0.646 1.00 0.00 C ATOM 0 H LEU A 17 2.512 -8.756 -0.670 1.00 0.00 H new ATOM 0 HA LEU A 17 4.183 -10.853 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.139 -10.677 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.052 -12.146 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 17 3.264 -11.665 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.059 -10.208 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.642 -9.284 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.925 -9.735 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.364 -12.611 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.241 -12.162 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.491 -13.397 0.130 1.00 0.00 H new ATOM 265 N VAL A 18 1.987 -9.438 -3.751 1.00 0.00 N ATOM 266 CA VAL A 18 1.657 -9.235 -5.186 1.00 0.00 C ATOM 267 C VAL A 18 2.915 -8.827 -5.951 1.00 0.00 C ATOM 268 O VAL A 18 3.319 -9.471 -6.899 1.00 0.00 O ATOM 269 CB VAL A 18 0.615 -8.118 -5.303 1.00 0.00 C ATOM 270 CG1 VAL A 18 0.165 -7.968 -6.746 1.00 0.00 C ATOM 271 CG2 VAL A 18 -0.603 -8.446 -4.442 1.00 0.00 C ATOM 0 H VAL A 18 1.377 -8.949 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 18 1.263 -10.161 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 18 1.070 -7.188 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.575 -7.171 -6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.023 -7.721 -7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.276 -8.904 -7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.338 -7.646 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.045 -9.384 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.297 -8.542 -3.400 1.00 0.00 H new ATOM 281 N CYS A 19 3.522 -7.749 -5.555 1.00 0.00 N ATOM 282 CA CYS A 19 4.741 -7.274 -6.261 1.00 0.00 C ATOM 283 C CYS A 19 5.936 -8.136 -5.861 1.00 0.00 C ATOM 284 O CYS A 19 6.909 -8.245 -6.579 1.00 0.00 O ATOM 285 CB CYS A 19 4.999 -5.822 -5.866 1.00 0.00 C ATOM 286 SG CYS A 19 3.425 -4.932 -5.775 1.00 0.00 S ATOM 0 H CYS A 19 3.226 -7.172 -4.768 1.00 0.00 H new ATOM 0 HA CYS A 19 4.598 -7.347 -7.339 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.508 -5.781 -4.903 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.656 -5.347 -6.595 1.00 0.00 H new ATOM 291 N GLY A 20 5.864 -8.751 -4.720 1.00 0.00 N ATOM 292 CA GLY A 20 6.989 -9.612 -4.267 1.00 0.00 C ATOM 293 C GLY A 20 8.296 -8.819 -4.284 1.00 0.00 C ATOM 294 O GLY A 20 8.374 -7.716 -3.780 1.00 0.00 O ATOM 0 H GLY A 20 5.073 -8.696 -4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.792 -9.982 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.075 -10.484 -4.916 1.00 0.00 H new ATOM 298 N GLU A 21 9.327 -9.380 -4.853 1.00 0.00 N ATOM 299 CA GLU A 21 10.638 -8.672 -4.896 1.00 0.00 C ATOM 300 C GLU A 21 10.612 -7.583 -5.966 1.00 0.00 C ATOM 301 O GLU A 21 11.499 -6.757 -6.043 1.00 0.00 O ATOM 302 CB GLU A 21 11.739 -9.675 -5.234 1.00 0.00 C ATOM 303 CG GLU A 21 11.916 -10.645 -4.067 1.00 0.00 C ATOM 304 CD GLU A 21 13.160 -11.504 -4.298 1.00 0.00 C ATOM 305 OE1 GLU A 21 13.222 -12.159 -5.325 1.00 0.00 O ATOM 306 OE2 GLU A 21 14.030 -11.492 -3.443 1.00 0.00 O ATOM 0 H GLU A 21 9.318 -10.301 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 21 10.829 -8.217 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.482 -10.222 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.675 -9.152 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.012 -10.092 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.035 -11.280 -3.972 1.00 0.00 H new ATOM 313 N ARG A 22 9.612 -7.574 -6.798 1.00 0.00 N ATOM 314 CA ARG A 22 9.552 -6.538 -7.860 1.00 0.00 C ATOM 315 C ARG A 22 9.573 -5.152 -7.217 1.00 0.00 C ATOM 316 O ARG A 22 9.996 -4.185 -7.818 1.00 0.00 O ATOM 317 CB ARG A 22 8.260 -6.693 -8.666 1.00 0.00 C ATOM 318 CG ARG A 22 8.134 -8.134 -9.192 1.00 0.00 C ATOM 319 CD ARG A 22 6.694 -8.401 -9.700 1.00 0.00 C ATOM 320 NE ARG A 22 6.727 -9.022 -11.070 1.00 0.00 N ATOM 321 CZ ARG A 22 7.360 -8.459 -12.067 1.00 0.00 C ATOM 322 NH1 ARG A 22 7.909 -7.284 -11.921 1.00 0.00 N ATOM 323 NH2 ARG A 22 7.419 -9.063 -13.222 1.00 0.00 N ATOM 0 H ARG A 22 8.837 -8.237 -6.789 1.00 0.00 H new ATOM 0 HA ARG A 22 10.410 -6.655 -8.522 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.401 -6.449 -8.041 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.256 -5.991 -9.500 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.847 -8.296 -10.000 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.384 -8.840 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.174 -9.062 -9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.133 -7.467 -9.731 1.00 0.00 H new ATOM 0 HE ARG A 22 6.243 -9.906 -11.226 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.846 -6.799 -11.026 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.401 -6.850 -12.702 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.972 -9.972 -13.346 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.912 -8.627 -14.001 1.00 0.00 H new ATOM 337 N GLY A 23 9.106 -5.043 -6.003 1.00 0.00 N ATOM 338 CA GLY A 23 9.088 -3.713 -5.337 1.00 0.00 C ATOM 339 C GLY A 23 7.942 -2.894 -5.924 1.00 0.00 C ATOM 340 O GLY A 23 7.503 -3.137 -7.031 1.00 0.00 O ATOM 0 H GLY A 23 8.738 -5.815 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.958 -3.830 -4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.037 -3.200 -5.490 1.00 0.00 H new ATOM 344 N PHE A 24 7.438 -1.934 -5.199 1.00 0.00 N ATOM 345 CA PHE A 24 6.311 -1.125 -5.732 1.00 0.00 C ATOM 346 C PHE A 24 6.262 0.231 -5.039 1.00 0.00 C ATOM 347 O PHE A 24 6.979 0.491 -4.093 1.00 0.00 O ATOM 348 CB PHE A 24 5.001 -1.865 -5.484 1.00 0.00 C ATOM 349 CG PHE A 24 4.733 -1.943 -3.998 1.00 0.00 C ATOM 350 CD1 PHE A 24 5.233 -3.018 -3.255 1.00 0.00 C ATOM 351 CD2 PHE A 24 3.983 -0.942 -3.364 1.00 0.00 C ATOM 352 CE1 PHE A 24 4.981 -3.096 -1.881 1.00 0.00 C ATOM 353 CE2 PHE A 24 3.734 -1.022 -1.988 1.00 0.00 C ATOM 354 CZ PHE A 24 4.232 -2.100 -1.249 1.00 0.00 C ATOM 0 H PHE A 24 7.757 -1.677 -4.265 1.00 0.00 H new ATOM 0 HA PHE A 24 6.457 -0.972 -6.801 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.181 -1.350 -5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.053 -2.868 -5.907 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.813 -3.788 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.598 -0.111 -3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.366 -3.927 -1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.158 -0.251 -1.498 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.037 -2.163 -0.189 1.00 0.00 H new ATOM 364 N PHE A 25 5.406 1.091 -5.514 1.00 0.00 N ATOM 365 CA PHE A 25 5.260 2.451 -4.917 1.00 0.00 C ATOM 366 C PHE A 25 3.866 2.592 -4.312 1.00 0.00 C ATOM 367 O PHE A 25 2.880 2.198 -4.901 1.00 0.00 O ATOM 368 CB PHE A 25 5.431 3.505 -6.016 1.00 0.00 C ATOM 369 CG PHE A 25 4.432 3.246 -7.125 1.00 0.00 C ATOM 370 CD1 PHE A 25 3.110 3.703 -7.006 1.00 0.00 C ATOM 371 CD2 PHE A 25 4.827 2.545 -8.271 1.00 0.00 C ATOM 372 CE1 PHE A 25 2.186 3.458 -8.033 1.00 0.00 C ATOM 373 CE2 PHE A 25 3.904 2.301 -9.296 1.00 0.00 C ATOM 374 CZ PHE A 25 2.585 2.757 -9.177 1.00 0.00 C ATOM 0 H PHE A 25 4.789 0.907 -6.305 1.00 0.00 H new ATOM 0 HA PHE A 25 6.015 2.592 -4.144 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.282 4.503 -5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.446 3.472 -6.412 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.804 4.244 -6.123 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.844 2.192 -8.365 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.169 3.810 -7.941 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.210 1.760 -10.179 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.875 2.568 -9.969 1.00 0.00 H new ATOM 384 N TYR A 26 3.768 3.168 -3.147 1.00 0.00 N ATOM 385 CA TYR A 26 2.427 3.352 -2.532 1.00 0.00 C ATOM 386 C TYR A 26 1.766 4.547 -3.216 1.00 0.00 C ATOM 387 O TYR A 26 2.390 5.245 -3.990 1.00 0.00 O ATOM 388 CB TYR A 26 2.558 3.609 -1.022 1.00 0.00 C ATOM 389 CG TYR A 26 1.252 3.260 -0.337 1.00 0.00 C ATOM 390 CD1 TYR A 26 0.827 1.927 -0.290 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.463 4.264 0.244 1.00 0.00 C ATOM 392 CE1 TYR A 26 -0.381 1.600 0.338 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.745 3.933 0.870 1.00 0.00 C ATOM 394 CZ TYR A 26 -1.166 2.602 0.918 1.00 0.00 C ATOM 395 OH TYR A 26 -2.356 2.276 1.535 1.00 0.00 O ATOM 0 H TYR A 26 4.554 3.517 -2.598 1.00 0.00 H new ATOM 0 HA TYR A 26 1.824 2.454 -2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.369 3.010 -0.609 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.809 4.654 -0.840 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.430 1.151 -0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.788 5.293 0.208 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.708 0.571 0.375 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.352 4.707 1.316 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.776 3.089 1.886 1.00 0.00 H new ATOM 405 N THR A 27 0.516 4.786 -2.964 1.00 0.00 N ATOM 406 CA THR A 27 -0.150 5.931 -3.635 1.00 0.00 C ATOM 407 C THR A 27 0.497 7.247 -3.190 1.00 0.00 C ATOM 408 O THR A 27 1.380 7.266 -2.356 1.00 0.00 O ATOM 409 CB THR A 27 -1.636 5.937 -3.297 1.00 0.00 C ATOM 410 OG1 THR A 27 -2.234 7.054 -3.920 1.00 0.00 O ATOM 411 CG2 THR A 27 -1.830 6.020 -1.782 1.00 0.00 C ATOM 0 H THR A 27 -0.071 4.245 -2.329 1.00 0.00 H new ATOM 0 HA THR A 27 -0.033 5.829 -4.714 1.00 0.00 H new ATOM 0 HB THR A 27 -2.100 5.018 -3.655 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.204 7.027 -3.780 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.895 6.024 -1.551 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.359 5.159 -1.307 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.374 6.936 -1.406 1.00 0.00 H new ATOM 419 N ASP A 28 0.082 8.343 -3.772 1.00 0.00 N ATOM 420 CA ASP A 28 0.686 9.667 -3.427 1.00 0.00 C ATOM 421 C ASP A 28 0.888 9.784 -1.887 1.00 0.00 C ATOM 422 O ASP A 28 0.104 9.239 -1.136 1.00 0.00 O ATOM 423 CB ASP A 28 -0.255 10.790 -3.934 1.00 0.00 C ATOM 424 CG ASP A 28 0.484 11.718 -4.911 1.00 0.00 C ATOM 425 OD1 ASP A 28 0.651 11.329 -6.055 1.00 0.00 O ATOM 426 OD2 ASP A 28 0.868 12.799 -4.495 1.00 0.00 O ATOM 0 H ASP A 28 -0.655 8.378 -4.477 1.00 0.00 H new ATOM 0 HA ASP A 28 1.661 9.762 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.122 10.350 -4.428 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.629 11.367 -3.088 1.00 0.00 H new ATOM 431 N PRO A 29 1.925 10.495 -1.454 1.00 0.00 N ATOM 432 CA PRO A 29 2.207 10.682 -0.009 1.00 0.00 C ATOM 433 C PRO A 29 1.257 11.733 0.594 1.00 0.00 C ATOM 434 O PRO A 29 1.275 11.985 1.783 1.00 0.00 O ATOM 435 CB PRO A 29 3.650 11.220 0.020 1.00 0.00 C ATOM 436 CG PRO A 29 3.917 11.822 -1.379 1.00 0.00 C ATOM 437 CD PRO A 29 2.911 11.163 -2.342 1.00 0.00 C ATOM 0 HA PRO A 29 2.075 9.763 0.562 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.768 11.975 0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.358 10.422 0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.789 12.904 -1.366 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.941 11.626 -1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.431 11.904 -2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.403 10.446 -2.999 1.00 0.00 H new ATOM 445 N THR A 30 0.471 12.378 -0.219 1.00 0.00 N ATOM 446 CA THR A 30 -0.429 13.448 0.306 1.00 0.00 C ATOM 447 C THR A 30 -1.295 12.921 1.454 1.00 0.00 C ATOM 448 O THR A 30 -1.494 13.595 2.445 1.00 0.00 O ATOM 449 CB THR A 30 -1.319 13.949 -0.831 1.00 0.00 C ATOM 450 OG1 THR A 30 -2.217 12.918 -1.218 1.00 0.00 O ATOM 451 CG2 THR A 30 -0.440 14.342 -2.021 1.00 0.00 C ATOM 0 H THR A 30 0.410 12.213 -1.224 1.00 0.00 H new ATOM 0 HA THR A 30 0.179 14.266 0.692 1.00 0.00 H new ATOM 0 HB THR A 30 -1.890 14.816 -0.498 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.789 13.239 -1.946 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.069 14.700 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.248 15.132 -1.720 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.128 13.474 -2.356 1.00 0.00 H new ATOM 459 N GLY A 31 -1.802 11.730 1.344 1.00 0.00 N ATOM 460 CA GLY A 31 -2.642 11.178 2.449 1.00 0.00 C ATOM 461 C GLY A 31 -3.959 11.959 2.561 1.00 0.00 C ATOM 462 O GLY A 31 -4.898 11.512 3.188 1.00 0.00 O ATOM 0 H GLY A 31 -1.675 11.113 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.851 10.124 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.097 11.234 3.391 1.00 0.00 H new ATOM 466 N GLY A 32 -4.040 13.122 1.961 1.00 0.00 N ATOM 467 CA GLY A 32 -5.303 13.926 2.038 1.00 0.00 C ATOM 468 C GLY A 32 -6.143 13.662 0.791 1.00 0.00 C ATOM 469 O GLY A 32 -7.332 13.908 0.758 1.00 0.00 O ATOM 0 H GLY A 32 -3.288 13.550 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.865 13.658 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.068 14.988 2.115 1.00 0.00 H new ATOM 473 N GLY A 33 -5.525 13.147 -0.229 1.00 0.00 N ATOM 474 CA GLY A 33 -6.253 12.835 -1.486 1.00 0.00 C ATOM 475 C GLY A 33 -5.292 12.109 -2.432 1.00 0.00 C ATOM 476 O GLY A 33 -5.086 12.545 -3.548 1.00 0.00 O ATOM 0 H GLY A 33 -4.530 12.925 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.122 12.212 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.621 13.751 -1.949 1.00 0.00 H new ATOM 480 N PRO A 34 -4.712 11.025 -1.956 1.00 0.00 N ATOM 481 CA PRO A 34 -3.751 10.242 -2.754 1.00 0.00 C ATOM 482 C PRO A 34 -4.468 9.532 -3.910 1.00 0.00 C ATOM 483 O PRO A 34 -5.652 9.699 -4.125 1.00 0.00 O ATOM 484 CB PRO A 34 -3.190 9.210 -1.757 1.00 0.00 C ATOM 485 CG PRO A 34 -4.178 9.154 -0.573 1.00 0.00 C ATOM 486 CD PRO A 34 -4.960 10.478 -0.597 1.00 0.00 C ATOM 0 HA PRO A 34 -2.974 10.861 -3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.093 8.231 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.196 9.501 -1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.852 8.303 -0.670 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.646 9.034 0.371 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.023 10.315 -0.421 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.610 11.161 0.177 1.00 0.00 H new ATOM 494 N ARG A 35 -3.749 8.723 -4.637 1.00 0.00 N ATOM 495 CA ARG A 35 -4.364 7.972 -5.765 1.00 0.00 C ATOM 496 C ARG A 35 -5.532 7.144 -5.227 1.00 0.00 C ATOM 497 O ARG A 35 -5.381 5.986 -4.890 1.00 0.00 O ATOM 498 CB ARG A 35 -3.311 7.036 -6.381 1.00 0.00 C ATOM 499 CG ARG A 35 -3.720 6.644 -7.808 1.00 0.00 C ATOM 500 CD ARG A 35 -2.629 5.761 -8.441 1.00 0.00 C ATOM 501 NE ARG A 35 -2.623 5.957 -9.927 1.00 0.00 N ATOM 502 CZ ARG A 35 -3.724 5.881 -10.627 1.00 0.00 C ATOM 503 NH1 ARG A 35 -4.826 5.438 -10.087 1.00 0.00 N ATOM 504 NH2 ARG A 35 -3.707 6.195 -11.894 1.00 0.00 N ATOM 0 H ARG A 35 -2.754 8.549 -4.496 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.723 8.665 -6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.339 7.530 -6.396 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.205 6.142 -5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.669 6.108 -7.790 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.871 7.539 -8.411 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.654 6.017 -8.026 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.812 4.713 -8.203 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.742 6.154 -10.402 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.834 5.147 -9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.680 5.383 -10.642 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.837 6.498 -12.333 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.563 6.138 -12.445 1.00 0.00 H new ATOM 518 N ARG A 36 -6.696 7.719 -5.147 1.00 0.00 N ATOM 519 CA ARG A 36 -7.859 6.947 -4.636 1.00 0.00 C ATOM 520 C ARG A 36 -8.077 5.734 -5.544 1.00 0.00 C ATOM 521 O ARG A 36 -8.956 4.928 -5.323 1.00 0.00 O ATOM 522 CB ARG A 36 -9.106 7.840 -4.648 1.00 0.00 C ATOM 523 CG ARG A 36 -9.073 8.744 -5.885 1.00 0.00 C ATOM 524 CD ARG A 36 -10.483 9.255 -6.192 1.00 0.00 C ATOM 525 NE ARG A 36 -11.299 8.145 -6.760 1.00 0.00 N ATOM 526 CZ ARG A 36 -12.598 8.255 -6.822 1.00 0.00 C ATOM 527 NH1 ARG A 36 -13.183 9.337 -6.386 1.00 0.00 N ATOM 528 NH2 ARG A 36 -13.312 7.283 -7.320 1.00 0.00 N ATOM 0 H ARG A 36 -6.893 8.684 -5.411 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.672 6.613 -3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.006 7.226 -4.657 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.142 8.445 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.401 9.585 -5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.682 8.192 -6.740 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.949 9.636 -5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.436 10.084 -6.898 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.842 7.299 -7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.625 10.097 -5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.198 9.423 -6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.855 6.437 -7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.327 7.369 -7.368 1.00 0.00 H new ATOM 542 N GLY A 37 -7.281 5.607 -6.570 1.00 0.00 N ATOM 543 CA GLY A 37 -7.438 4.458 -7.499 1.00 0.00 C ATOM 544 C GLY A 37 -6.923 3.174 -6.846 1.00 0.00 C ATOM 545 O GLY A 37 -7.326 2.093 -7.218 1.00 0.00 O ATOM 0 H GLY A 37 -6.527 6.253 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.487 4.341 -7.770 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.890 4.650 -8.422 1.00 0.00 H new ATOM 549 N ILE A 38 -6.026 3.270 -5.887 1.00 0.00 N ATOM 550 CA ILE A 38 -5.493 2.029 -5.225 1.00 0.00 C ATOM 551 C ILE A 38 -6.177 1.823 -3.861 1.00 0.00 C ATOM 552 O ILE A 38 -6.720 0.771 -3.584 1.00 0.00 O ATOM 553 CB ILE A 38 -3.936 2.140 -5.079 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.233 0.794 -5.413 1.00 0.00 C ATOM 555 CG2 ILE A 38 -3.501 2.591 -3.671 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.005 -0.424 -4.870 1.00 0.00 C ATOM 0 H ILE A 38 -5.642 4.147 -5.536 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.715 1.158 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.630 2.902 -5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.127 0.701 -6.494 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.227 0.799 -4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.413 2.650 -3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.927 3.571 -3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.855 1.871 -2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.472 -1.338 -5.130 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.088 -0.348 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.002 -0.448 -5.309 1.00 0.00 H new ATOM 568 N VAL A 39 -6.112 2.796 -2.992 1.00 0.00 N ATOM 569 CA VAL A 39 -6.708 2.623 -1.637 1.00 0.00 C ATOM 570 C VAL A 39 -8.217 2.390 -1.719 1.00 0.00 C ATOM 571 O VAL A 39 -8.704 1.350 -1.338 1.00 0.00 O ATOM 572 CB VAL A 39 -6.431 3.869 -0.786 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.669 3.533 0.689 1.00 0.00 C ATOM 574 CG2 VAL A 39 -4.975 4.326 -0.983 1.00 0.00 C ATOM 0 H VAL A 39 -5.673 3.701 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.250 1.748 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.099 4.673 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.474 4.415 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.703 3.217 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.000 2.727 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.786 5.211 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.299 3.527 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.807 4.564 -2.033 1.00 0.00 H new ATOM 584 N GLU A 40 -8.965 3.348 -2.187 1.00 0.00 N ATOM 585 CA GLU A 40 -10.446 3.164 -2.254 1.00 0.00 C ATOM 586 C GLU A 40 -10.797 1.901 -3.045 1.00 0.00 C ATOM 587 O GLU A 40 -11.613 1.106 -2.624 1.00 0.00 O ATOM 588 CB GLU A 40 -11.085 4.380 -2.926 1.00 0.00 C ATOM 589 CG GLU A 40 -10.612 5.660 -2.230 1.00 0.00 C ATOM 590 CD GLU A 40 -11.536 6.821 -2.605 1.00 0.00 C ATOM 591 OE1 GLU A 40 -12.323 6.653 -3.522 1.00 0.00 O ATOM 592 OE2 GLU A 40 -11.441 7.858 -1.969 1.00 0.00 O ATOM 0 H GLU A 40 -8.621 4.247 -2.525 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.829 3.060 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.816 4.408 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.171 4.307 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.610 5.519 -1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.587 5.888 -2.524 1.00 0.00 H new ATOM 599 N GLN A 41 -10.204 1.713 -4.191 1.00 0.00 N ATOM 600 CA GLN A 41 -10.526 0.504 -5.004 1.00 0.00 C ATOM 601 C GLN A 41 -10.501 -0.748 -4.126 1.00 0.00 C ATOM 602 O GLN A 41 -11.468 -1.477 -4.042 1.00 0.00 O ATOM 603 CB GLN A 41 -9.499 0.352 -6.131 1.00 0.00 C ATOM 604 CG GLN A 41 -9.989 -0.697 -7.133 1.00 0.00 C ATOM 605 CD GLN A 41 -11.098 -0.110 -7.994 1.00 0.00 C ATOM 606 OE1 GLN A 41 -10.990 0.999 -8.481 1.00 0.00 O ATOM 607 NE2 GLN A 41 -12.170 -0.816 -8.205 1.00 0.00 N ATOM 0 H GLN A 41 -9.512 2.341 -4.600 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.523 0.623 -5.428 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.351 1.308 -6.633 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.534 0.055 -5.720 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.162 -1.025 -7.763 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.355 -1.576 -6.603 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.257 -1.746 -7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.923 -0.440 -8.781 1.00 0.00 H new ATOM 616 N CYS A 42 -9.396 -1.016 -3.489 1.00 0.00 N ATOM 617 CA CYS A 42 -9.299 -2.238 -2.639 1.00 0.00 C ATOM 618 C CYS A 42 -9.852 -1.979 -1.230 1.00 0.00 C ATOM 619 O CYS A 42 -10.295 -2.890 -0.560 1.00 0.00 O ATOM 620 CB CYS A 42 -7.834 -2.658 -2.549 1.00 0.00 C ATOM 621 SG CYS A 42 -7.201 -2.969 -4.214 1.00 0.00 S ATOM 0 H CYS A 42 -8.554 -0.442 -3.519 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.894 -3.031 -3.092 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.248 -1.877 -2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.737 -3.555 -1.937 1.00 0.00 H new ATOM 626 N CYS A 43 -9.835 -0.757 -0.768 1.00 0.00 N ATOM 627 CA CYS A 43 -10.368 -0.475 0.601 1.00 0.00 C ATOM 628 C CYS A 43 -11.886 -0.320 0.533 1.00 0.00 C ATOM 629 O CYS A 43 -12.619 -0.958 1.262 1.00 0.00 O ATOM 630 CB CYS A 43 -9.748 0.815 1.154 1.00 0.00 C ATOM 631 SG CYS A 43 -10.331 1.086 2.848 1.00 0.00 S ATOM 0 H CYS A 43 -9.478 0.054 -1.273 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.111 -1.304 1.260 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.660 0.744 1.139 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.021 1.662 0.524 1.00 0.00 H new ATOM 636 N HIS A 44 -12.363 0.523 -0.339 1.00 0.00 N ATOM 637 CA HIS A 44 -13.833 0.720 -0.456 1.00 0.00 C ATOM 638 C HIS A 44 -14.463 -0.522 -1.088 1.00 0.00 C ATOM 639 O HIS A 44 -15.623 -0.815 -0.875 1.00 0.00 O ATOM 640 CB HIS A 44 -14.117 1.939 -1.332 1.00 0.00 C ATOM 641 CG HIS A 44 -15.570 2.299 -1.231 1.00 0.00 C ATOM 642 ND1 HIS A 44 -16.584 1.367 -1.412 1.00 0.00 N ATOM 643 CD2 HIS A 44 -16.195 3.488 -0.968 1.00 0.00 C ATOM 644 CE1 HIS A 44 -17.757 2.009 -1.255 1.00 0.00 C ATOM 645 NE2 HIS A 44 -17.571 3.301 -0.984 1.00 0.00 N ATOM 0 H HIS A 44 -11.798 1.084 -0.976 1.00 0.00 H new ATOM 0 HA HIS A 44 -14.259 0.880 0.535 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.500 2.780 -1.015 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.856 1.725 -2.368 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -16.462 0.377 -1.625 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -15.695 4.426 -0.778 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -18.725 1.537 -1.338 1.00 0.00 H new ATOM 653 N SER A 45 -13.705 -1.254 -1.867 1.00 0.00 N ATOM 654 CA SER A 45 -14.253 -2.486 -2.521 1.00 0.00 C ATOM 655 C SER A 45 -13.228 -3.618 -2.425 1.00 0.00 C ATOM 656 O SER A 45 -12.046 -3.390 -2.261 1.00 0.00 O ATOM 657 CB SER A 45 -14.553 -2.189 -3.993 1.00 0.00 C ATOM 658 OG SER A 45 -15.145 -0.901 -4.100 1.00 0.00 O ATOM 0 H SER A 45 -12.728 -1.052 -2.079 1.00 0.00 H new ATOM 0 HA SER A 45 -15.171 -2.788 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.635 -2.230 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.224 -2.946 -4.399 1.00 0.00 H new ATOM 0 HG SER A 45 -15.337 -0.706 -5.041 1.00 0.00 H new ATOM 664 N ILE A 46 -13.676 -4.839 -2.528 1.00 0.00 N ATOM 665 CA ILE A 46 -12.742 -5.994 -2.448 1.00 0.00 C ATOM 666 C ILE A 46 -12.091 -6.199 -3.822 1.00 0.00 C ATOM 667 O ILE A 46 -12.678 -6.779 -4.714 1.00 0.00 O ATOM 668 CB ILE A 46 -13.527 -7.263 -2.052 1.00 0.00 C ATOM 669 CG1 ILE A 46 -14.644 -6.929 -1.046 1.00 0.00 C ATOM 670 CG2 ILE A 46 -12.586 -8.287 -1.422 1.00 0.00 C ATOM 671 CD1 ILE A 46 -14.046 -6.428 0.274 1.00 0.00 C ATOM 0 H ILE A 46 -14.656 -5.086 -2.665 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.973 -5.801 -1.700 1.00 0.00 H new ATOM 0 HB ILE A 46 -13.974 -7.675 -2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.303 -6.169 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -15.253 -7.814 -0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.150 -9.178 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.809 -8.556 -2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.126 -7.859 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.850 -6.197 0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.406 -7.201 0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.457 -5.530 0.089 1.00 0.00 H new ATOM 683 N CYS A 47 -10.886 -5.725 -4.003 1.00 0.00 N ATOM 684 CA CYS A 47 -10.206 -5.893 -5.324 1.00 0.00 C ATOM 685 C CYS A 47 -9.390 -7.185 -5.325 1.00 0.00 C ATOM 686 O CYS A 47 -9.021 -7.702 -4.289 1.00 0.00 O ATOM 687 CB CYS A 47 -9.274 -4.702 -5.579 1.00 0.00 C ATOM 688 SG CYS A 47 -7.764 -4.871 -4.592 1.00 0.00 S ATOM 0 H CYS A 47 -10.343 -5.230 -3.296 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.960 -5.941 -6.110 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.021 -4.648 -6.638 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.782 -3.772 -5.325 1.00 0.00 H new ATOM 693 N SER A 48 -9.095 -7.705 -6.485 1.00 0.00 N ATOM 694 CA SER A 48 -8.291 -8.958 -6.566 1.00 0.00 C ATOM 695 C SER A 48 -6.807 -8.593 -6.630 1.00 0.00 C ATOM 696 O SER A 48 -6.444 -7.457 -6.861 1.00 0.00 O ATOM 697 CB SER A 48 -8.684 -9.738 -7.825 1.00 0.00 C ATOM 698 OG SER A 48 -8.928 -8.824 -8.886 1.00 0.00 O ATOM 0 H SER A 48 -9.377 -7.314 -7.384 1.00 0.00 H new ATOM 0 HA SER A 48 -8.480 -9.576 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.888 -10.430 -8.101 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.575 -10.336 -7.633 1.00 0.00 H new ATOM 0 HG SER A 48 -9.178 -9.320 -9.694 1.00 0.00 H new ATOM 704 N LEU A 49 -5.949 -9.552 -6.436 1.00 0.00 N ATOM 705 CA LEU A 49 -4.491 -9.270 -6.496 1.00 0.00 C ATOM 706 C LEU A 49 -4.169 -8.706 -7.873 1.00 0.00 C ATOM 707 O LEU A 49 -3.300 -7.873 -8.040 1.00 0.00 O ATOM 708 CB LEU A 49 -3.708 -10.570 -6.283 1.00 0.00 C ATOM 709 CG LEU A 49 -4.199 -11.298 -5.018 1.00 0.00 C ATOM 710 CD1 LEU A 49 -3.181 -12.367 -4.610 1.00 0.00 C ATOM 711 CD2 LEU A 49 -4.341 -10.316 -3.858 1.00 0.00 C ATOM 0 H LEU A 49 -6.195 -10.522 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.214 -8.556 -5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.826 -11.218 -7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.644 -10.349 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.165 -11.751 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.531 -12.880 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.066 -13.088 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.220 -11.895 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.689 -10.847 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.375 -9.857 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.061 -9.542 -4.123 1.00 0.00 H new ATOM 723 N TYR A 50 -4.882 -9.162 -8.858 1.00 0.00 N ATOM 724 CA TYR A 50 -4.677 -8.691 -10.240 1.00 0.00 C ATOM 725 C TYR A 50 -4.533 -7.176 -10.264 1.00 0.00 C ATOM 726 O TYR A 50 -3.549 -6.635 -10.729 1.00 0.00 O ATOM 727 CB TYR A 50 -5.912 -9.100 -11.043 1.00 0.00 C ATOM 728 CG TYR A 50 -5.552 -9.210 -12.484 1.00 0.00 C ATOM 729 CD1 TYR A 50 -4.955 -10.374 -12.934 1.00 0.00 C ATOM 730 CD2 TYR A 50 -5.813 -8.157 -13.354 1.00 0.00 C ATOM 731 CE1 TYR A 50 -4.606 -10.503 -14.282 1.00 0.00 C ATOM 732 CE2 TYR A 50 -5.470 -8.273 -14.704 1.00 0.00 C ATOM 733 CZ TYR A 50 -4.865 -9.449 -15.172 1.00 0.00 C ATOM 734 OH TYR A 50 -4.524 -9.570 -16.503 1.00 0.00 O ATOM 0 H TYR A 50 -5.618 -9.861 -8.754 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.771 -9.125 -10.662 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.297 -10.053 -10.679 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.705 -8.365 -10.910 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.759 -11.182 -12.245 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.279 -7.254 -12.988 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.139 -11.410 -14.637 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.670 -7.459 -15.385 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.773 -8.751 -16.980 1.00 0.00 H new ATOM 744 N GLN A 51 -5.515 -6.494 -9.769 1.00 0.00 N ATOM 745 CA GLN A 51 -5.451 -5.008 -9.765 1.00 0.00 C ATOM 746 C GLN A 51 -4.255 -4.569 -8.939 1.00 0.00 C ATOM 747 O GLN A 51 -3.525 -3.673 -9.313 1.00 0.00 O ATOM 748 CB GLN A 51 -6.732 -4.430 -9.168 1.00 0.00 C ATOM 749 CG GLN A 51 -7.948 -5.145 -9.776 1.00 0.00 C ATOM 750 CD GLN A 51 -9.198 -4.278 -9.603 1.00 0.00 C ATOM 751 OE1 GLN A 51 -9.316 -3.541 -8.646 1.00 0.00 O ATOM 752 NE2 GLN A 51 -10.139 -4.332 -10.504 1.00 0.00 N ATOM 0 H GLN A 51 -6.361 -6.896 -9.366 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.348 -4.645 -10.787 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.729 -4.552 -8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.788 -3.360 -9.368 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.774 -5.342 -10.834 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.094 -6.110 -9.292 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -10.040 -4.951 -11.308 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.974 -3.755 -10.404 1.00 0.00 H new ATOM 761 N LEU A 52 -4.032 -5.202 -7.826 1.00 0.00 N ATOM 762 CA LEU A 52 -2.865 -4.819 -7.005 1.00 0.00 C ATOM 763 C LEU A 52 -1.615 -5.054 -7.835 1.00 0.00 C ATOM 764 O LEU A 52 -0.621 -4.368 -7.705 1.00 0.00 O ATOM 765 CB LEU A 52 -2.821 -5.668 -5.740 1.00 0.00 C ATOM 766 CG LEU A 52 -4.040 -5.355 -4.859 1.00 0.00 C ATOM 767 CD1 LEU A 52 -3.948 -6.189 -3.594 1.00 0.00 C ATOM 768 CD2 LEU A 52 -4.065 -3.864 -4.479 1.00 0.00 C ATOM 0 H LEU A 52 -4.604 -5.961 -7.455 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.932 -3.771 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.812 -6.726 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.902 -5.468 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.951 -5.590 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.807 -5.979 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.941 -7.247 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.031 -5.941 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.936 -3.662 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.158 -3.614 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.119 -3.259 -5.384 1.00 0.00 H new ATOM 780 N GLU A 53 -1.671 -6.023 -8.701 1.00 0.00 N ATOM 781 CA GLU A 53 -0.508 -6.324 -9.569 1.00 0.00 C ATOM 782 C GLU A 53 -0.384 -5.196 -10.599 1.00 0.00 C ATOM 783 O GLU A 53 0.585 -5.097 -11.325 1.00 0.00 O ATOM 784 CB GLU A 53 -0.743 -7.695 -10.258 1.00 0.00 C ATOM 785 CG GLU A 53 0.489 -8.619 -10.113 1.00 0.00 C ATOM 786 CD GLU A 53 0.543 -9.610 -11.283 1.00 0.00 C ATOM 787 OE1 GLU A 53 0.575 -9.158 -12.415 1.00 0.00 O ATOM 788 OE2 GLU A 53 0.551 -10.802 -11.024 1.00 0.00 O ATOM 0 H GLU A 53 -2.482 -6.624 -8.844 1.00 0.00 H new ATOM 0 HA GLU A 53 0.417 -6.384 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.616 -8.179 -9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.961 -7.540 -11.315 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.401 -8.022 -10.089 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.438 -9.161 -9.169 1.00 0.00 H new ATOM 795 N ASN A 54 -1.373 -4.348 -10.655 1.00 0.00 N ATOM 796 CA ASN A 54 -1.350 -3.218 -11.621 1.00 0.00 C ATOM 797 C ASN A 54 -0.396 -2.133 -11.115 1.00 0.00 C ATOM 798 O ASN A 54 0.175 -1.387 -11.887 1.00 0.00 O ATOM 799 CB ASN A 54 -2.774 -2.650 -11.749 1.00 0.00 C ATOM 800 CG ASN A 54 -2.936 -1.928 -13.087 1.00 0.00 C ATOM 801 OD1 ASN A 54 -1.987 -1.391 -13.623 1.00 0.00 O ATOM 802 ND2 ASN A 54 -4.111 -1.895 -13.652 1.00 0.00 N ATOM 0 H ASN A 54 -2.204 -4.392 -10.066 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.005 -3.563 -12.595 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.503 -3.456 -11.672 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.973 -1.960 -10.929 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.234 -1.418 -14.545 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.907 -2.346 -13.201 1.00 0.00 H new ATOM 809 N TYR A 55 -0.225 -2.035 -9.821 1.00 0.00 N ATOM 810 CA TYR A 55 0.685 -0.996 -9.249 1.00 0.00 C ATOM 811 C TYR A 55 2.022 -1.629 -8.857 1.00 0.00 C ATOM 812 O TYR A 55 2.871 -0.986 -8.272 1.00 0.00 O ATOM 813 CB TYR A 55 0.025 -0.388 -8.010 1.00 0.00 C ATOM 814 CG TYR A 55 -1.424 -0.114 -8.307 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.363 -1.129 -8.150 1.00 0.00 C ATOM 816 CD2 TYR A 55 -1.824 1.149 -8.743 1.00 0.00 C ATOM 817 CE1 TYR A 55 -3.717 -0.888 -8.427 1.00 0.00 C ATOM 818 CE2 TYR A 55 -3.173 1.397 -9.024 1.00 0.00 C ATOM 819 CZ TYR A 55 -4.121 0.378 -8.865 1.00 0.00 C ATOM 820 OH TYR A 55 -5.451 0.622 -9.143 1.00 0.00 O ATOM 0 H TYR A 55 -0.680 -2.634 -9.132 1.00 0.00 H new ATOM 0 HA TYR A 55 0.866 -0.221 -9.994 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.113 -1.070 -7.164 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.532 0.535 -7.729 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.048 -2.106 -7.814 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.094 1.935 -8.864 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.445 -1.676 -8.303 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.483 2.374 -9.363 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.859 1.102 -8.393 1.00 0.00 H new ATOM 830 N CYS A 56 2.227 -2.882 -9.171 1.00 0.00 N ATOM 831 CA CYS A 56 3.520 -3.529 -8.807 1.00 0.00 C ATOM 832 C CYS A 56 4.591 -3.128 -9.823 1.00 0.00 C ATOM 833 O CYS A 56 4.586 -3.573 -10.953 1.00 0.00 O ATOM 834 CB CYS A 56 3.360 -5.050 -8.814 1.00 0.00 C ATOM 835 SG CYS A 56 2.381 -5.570 -7.381 1.00 0.00 S ATOM 0 H CYS A 56 1.561 -3.480 -9.660 1.00 0.00 H new ATOM 0 HA CYS A 56 3.817 -3.203 -7.810 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.872 -5.369 -9.735 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.339 -5.528 -8.790 1.00 0.00 H new ATOM 840 N ASN A 57 5.510 -2.288 -9.431 1.00 0.00 N ATOM 841 CA ASN A 57 6.579 -1.859 -10.375 1.00 0.00 C ATOM 842 C ASN A 57 5.942 -1.369 -11.678 1.00 0.00 C ATOM 843 O ASN A 57 6.681 -1.024 -12.584 1.00 0.00 O ATOM 844 CB ASN A 57 7.504 -3.042 -10.669 1.00 0.00 C ATOM 845 CG ASN A 57 8.552 -2.630 -11.703 1.00 0.00 C ATOM 846 OD1 ASN A 57 8.378 -2.850 -12.885 1.00 0.00 O ATOM 847 ND2 ASN A 57 9.641 -2.038 -11.304 1.00 0.00 N ATOM 848 OXT ASN A 57 4.724 -1.346 -11.745 1.00 0.00 O ATOM 0 H ASN A 57 5.566 -1.881 -8.498 1.00 0.00 H new ATOM 0 HA ASN A 57 7.157 -1.050 -9.928 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.993 -3.371 -9.752 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.924 -3.886 -11.041 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.348 -1.759 -11.984 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.787 -1.853 -10.311 1.00 0.00 H new TER 855 ASN A 57