USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 725 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 14 HIS : no HD1:sc= -0.101 K(o=-0.24,f=0.34) USER MOD Set 1.2: A 92 THR OG1 : rot 160:sc= -0.139 USER MOD Set 2.1: A 66 ASN : amide:sc= -10.5! C(o=-14!,f=-8.4!) USER MOD Set 2.2: A 88 GLN : amide:sc= -3.96 K(o=-14,f=-8.4!) USER MOD Set 3.1: A 17 LYS NZ :NH3+ -170:sc= -5.26! (180deg=-5.37!) USER MOD Set 3.2: A 85 THR OG1 : rot -88:sc= -1.02! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 1.25 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -130:sc= -0.915 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.43) USER MOD Single : A 46 HIS : no HE2:sc= -0.701 K(o=-0.7,f=-4.1!) USER MOD Single : A 53 SER OG : rot -59:sc= -0.654 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot -140:sc= -2.6! USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.024) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.523 9.250 -11.735 1.00 0.00 N ATOM 2 CA GLY A 1 -15.322 10.162 -12.845 1.00 0.00 C ATOM 3 C GLY A 1 -15.051 9.438 -14.149 1.00 0.00 C ATOM 4 O GLY A 1 -15.944 8.804 -14.712 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.705 9.794 -10.867 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.337 8.634 -11.935 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.672 8.667 -11.606 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.205 10.791 -12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.486 10.824 -12.620 1.00 0.00 H new ATOM 8 N SER A 2 -13.816 9.532 -14.631 1.00 0.00 N ATOM 9 CA SER A 2 -13.431 8.885 -15.879 1.00 0.00 C ATOM 10 C SER A 2 -11.919 8.938 -16.076 1.00 0.00 C ATOM 11 O SER A 2 -11.328 10.016 -16.136 1.00 0.00 O ATOM 12 CB SER A 2 -14.134 9.553 -17.063 1.00 0.00 C ATOM 13 OG SER A 2 -15.431 9.015 -17.255 1.00 0.00 O ATOM 0 H SER A 2 -13.065 10.050 -14.176 1.00 0.00 H new ATOM 0 HA SER A 2 -13.736 7.840 -15.826 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.204 10.627 -16.890 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.542 9.414 -17.967 1.00 0.00 H new ATOM 0 HG SER A 2 -15.724 8.567 -16.434 1.00 0.00 H new ATOM 19 N SER A 3 -11.300 7.766 -16.174 1.00 0.00 N ATOM 20 CA SER A 3 -9.856 7.678 -16.359 1.00 0.00 C ATOM 21 C SER A 3 -9.478 7.936 -17.815 1.00 0.00 C ATOM 22 O SER A 3 -10.234 7.614 -18.731 1.00 0.00 O ATOM 23 CB SER A 3 -9.348 6.302 -15.925 1.00 0.00 C ATOM 24 OG SER A 3 -7.996 6.367 -15.504 1.00 0.00 O ATOM 0 H SER A 3 -11.775 6.865 -16.128 1.00 0.00 H new ATOM 0 HA SER A 3 -9.388 8.443 -15.739 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.967 5.922 -15.113 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.441 5.599 -16.753 1.00 0.00 H new ATOM 0 HG SER A 3 -7.695 5.475 -15.230 1.00 0.00 H new ATOM 30 N GLY A 4 -8.302 8.521 -18.020 1.00 0.00 N ATOM 31 CA GLY A 4 -7.843 8.813 -19.366 1.00 0.00 C ATOM 32 C GLY A 4 -6.348 8.623 -19.522 1.00 0.00 C ATOM 33 O GLY A 4 -5.900 7.695 -20.195 1.00 0.00 O ATOM 0 H GLY A 4 -7.659 8.798 -17.278 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.364 8.167 -20.072 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.104 9.840 -19.621 1.00 0.00 H new ATOM 37 N SER A 5 -5.572 9.506 -18.901 1.00 0.00 N ATOM 38 CA SER A 5 -4.118 9.434 -18.979 1.00 0.00 C ATOM 39 C SER A 5 -3.514 9.134 -17.610 1.00 0.00 C ATOM 40 O SER A 5 -4.150 9.350 -16.578 1.00 0.00 O ATOM 41 CB SER A 5 -3.550 10.747 -19.522 1.00 0.00 C ATOM 42 OG SER A 5 -2.338 10.526 -20.224 1.00 0.00 O ATOM 0 H SER A 5 -5.926 10.280 -18.338 1.00 0.00 H new ATOM 0 HA SER A 5 -3.855 8.623 -19.658 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.278 11.215 -20.185 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.376 11.440 -18.699 1.00 0.00 H new ATOM 0 HG SER A 5 -1.996 11.380 -20.563 1.00 0.00 H new ATOM 48 N SER A 6 -2.283 8.634 -17.610 1.00 0.00 N ATOM 49 CA SER A 6 -1.593 8.300 -16.369 1.00 0.00 C ATOM 50 C SER A 6 -0.740 9.471 -15.890 1.00 0.00 C ATOM 51 O SER A 6 -0.382 10.353 -16.669 1.00 0.00 O ATOM 52 CB SER A 6 -0.716 7.062 -16.566 1.00 0.00 C ATOM 53 OG SER A 6 0.374 7.341 -17.428 1.00 0.00 O ATOM 0 H SER A 6 -1.742 8.451 -18.455 1.00 0.00 H new ATOM 0 HA SER A 6 -2.345 8.086 -15.610 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.342 6.720 -15.601 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.314 6.251 -16.982 1.00 0.00 H new ATOM 0 HG SER A 6 0.920 6.535 -17.536 1.00 0.00 H new ATOM 59 N GLY A 7 -0.419 9.471 -14.599 1.00 0.00 N ATOM 60 CA GLY A 7 0.389 10.537 -14.037 1.00 0.00 C ATOM 61 C GLY A 7 1.803 10.543 -14.582 1.00 0.00 C ATOM 62 O GLY A 7 2.037 10.962 -15.716 1.00 0.00 O ATOM 0 H GLY A 7 -0.704 8.752 -13.934 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.083 11.496 -14.249 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.422 10.431 -12.953 1.00 0.00 H new ATOM 66 N ASP A 8 2.749 10.078 -13.773 1.00 0.00 N ATOM 67 CA ASP A 8 4.149 10.031 -14.181 1.00 0.00 C ATOM 68 C ASP A 8 4.605 8.591 -14.393 1.00 0.00 C ATOM 69 O ASP A 8 5.014 8.215 -15.491 1.00 0.00 O ATOM 70 CB ASP A 8 5.031 10.710 -13.132 1.00 0.00 C ATOM 71 CG ASP A 8 4.901 12.220 -13.155 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.908 12.739 -12.602 1.00 0.00 O ATOM 73 OD2 ASP A 8 5.791 12.883 -13.726 1.00 0.00 O ATOM 0 H ASP A 8 2.572 9.728 -12.831 1.00 0.00 H new ATOM 0 HA ASP A 8 4.245 10.566 -15.126 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.763 10.340 -12.142 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.072 10.435 -13.304 1.00 0.00 H new ATOM 78 N ASN A 9 4.533 7.791 -13.335 1.00 0.00 N ATOM 79 CA ASN A 9 4.941 6.393 -13.405 1.00 0.00 C ATOM 80 C ASN A 9 4.476 5.628 -12.169 1.00 0.00 C ATOM 81 O ASN A 9 4.740 6.037 -11.038 1.00 0.00 O ATOM 82 CB ASN A 9 6.461 6.289 -13.540 1.00 0.00 C ATOM 83 CG ASN A 9 6.893 5.023 -14.255 1.00 0.00 C ATOM 84 OD1 ASN A 9 6.993 4.993 -15.482 1.00 0.00 O ATOM 85 ND2 ASN A 9 7.152 3.970 -13.489 1.00 0.00 N ATOM 0 H ASN A 9 4.196 8.087 -12.419 1.00 0.00 H new ATOM 0 HA ASN A 9 4.474 5.948 -14.284 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.835 7.156 -14.085 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.914 6.316 -12.549 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.447 3.091 -13.914 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.056 4.040 -12.476 1.00 0.00 H new ATOM 92 N CYS A 10 3.783 4.517 -12.393 1.00 0.00 N ATOM 93 CA CYS A 10 3.281 3.695 -11.298 1.00 0.00 C ATOM 94 C CYS A 10 3.930 2.314 -11.313 1.00 0.00 C ATOM 95 O CYS A 10 4.827 2.048 -12.114 1.00 0.00 O ATOM 96 CB CYS A 10 1.761 3.558 -11.392 1.00 0.00 C ATOM 97 SG CYS A 10 0.850 4.973 -10.730 1.00 0.00 S ATOM 0 H CYS A 10 3.556 4.165 -13.323 1.00 0.00 H new ATOM 0 HA CYS A 10 3.537 4.187 -10.360 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.484 3.417 -12.437 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.454 2.659 -10.857 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.427 4.765 -10.856 1.00 0.00 H new ATOM 103 N ARG A 11 3.472 1.441 -10.422 1.00 0.00 N ATOM 104 CA ARG A 11 4.010 0.089 -10.330 1.00 0.00 C ATOM 105 C ARG A 11 2.913 -0.909 -9.971 1.00 0.00 C ATOM 106 O ARG A 11 2.289 -0.806 -8.915 1.00 0.00 O ATOM 107 CB ARG A 11 5.128 0.032 -9.288 1.00 0.00 C ATOM 108 CG ARG A 11 5.795 -1.330 -9.184 1.00 0.00 C ATOM 109 CD ARG A 11 6.835 -1.526 -10.276 1.00 0.00 C ATOM 110 NE ARG A 11 6.261 -2.126 -11.477 1.00 0.00 N ATOM 111 CZ ARG A 11 6.941 -2.310 -12.604 1.00 0.00 C ATOM 112 NH1 ARG A 11 8.213 -1.943 -12.682 1.00 0.00 N ATOM 113 NH2 ARG A 11 6.349 -2.862 -13.655 1.00 0.00 N ATOM 0 H ARG A 11 2.729 1.646 -9.753 1.00 0.00 H new ATOM 0 HA ARG A 11 4.417 -0.180 -11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.882 0.779 -9.536 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.720 0.302 -8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.268 -1.431 -8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.040 -2.113 -9.255 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.281 -0.564 -10.529 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.638 -2.161 -9.902 1.00 0.00 H new ATOM 0 HE ARG A 11 5.285 -2.420 -11.450 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.672 -1.518 -11.876 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.733 -2.085 -13.548 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.371 -3.146 -13.599 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.872 -3.003 -14.519 1.00 0.00 H new ATOM 127 N GLU A 12 2.685 -1.874 -10.856 1.00 0.00 N ATOM 128 CA GLU A 12 1.663 -2.889 -10.632 1.00 0.00 C ATOM 129 C GLU A 12 2.287 -4.186 -10.124 1.00 0.00 C ATOM 130 O GLU A 12 2.837 -4.968 -10.899 1.00 0.00 O ATOM 131 CB GLU A 12 0.885 -3.155 -11.922 1.00 0.00 C ATOM 132 CG GLU A 12 -0.346 -2.280 -12.082 1.00 0.00 C ATOM 133 CD GLU A 12 -0.716 -2.052 -13.535 1.00 0.00 C ATOM 134 OE1 GLU A 12 -0.087 -1.186 -14.178 1.00 0.00 O ATOM 135 OE2 GLU A 12 -1.633 -2.740 -14.030 1.00 0.00 O ATOM 0 H GLU A 12 3.194 -1.974 -11.734 1.00 0.00 H new ATOM 0 HA GLU A 12 0.976 -2.515 -9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.546 -2.997 -12.774 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.582 -4.202 -11.944 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.186 -2.744 -11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.168 -1.318 -11.601 1.00 0.00 H new ATOM 142 N VAL A 13 2.197 -4.407 -8.817 1.00 0.00 N ATOM 143 CA VAL A 13 2.751 -5.609 -8.205 1.00 0.00 C ATOM 144 C VAL A 13 1.652 -6.472 -7.595 1.00 0.00 C ATOM 145 O VAL A 13 1.148 -6.181 -6.510 1.00 0.00 O ATOM 146 CB VAL A 13 3.779 -5.259 -7.112 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.341 -6.524 -6.483 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.894 -4.398 -7.686 1.00 0.00 C ATOM 0 H VAL A 13 1.746 -3.769 -8.161 1.00 0.00 H new ATOM 0 HA VAL A 13 3.249 -6.167 -8.998 1.00 0.00 H new ATOM 0 HB VAL A 13 3.275 -4.688 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.065 -6.257 -5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.530 -7.099 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.831 -7.125 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.611 -4.160 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.398 -4.941 -8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.473 -3.475 -8.084 1.00 0.00 H new ATOM 158 N HIS A 14 1.284 -7.537 -8.301 1.00 0.00 N ATOM 159 CA HIS A 14 0.245 -8.445 -7.829 1.00 0.00 C ATOM 160 C HIS A 14 0.810 -9.441 -6.821 1.00 0.00 C ATOM 161 O HIS A 14 1.936 -9.919 -6.969 1.00 0.00 O ATOM 162 CB HIS A 14 -0.381 -9.193 -9.007 1.00 0.00 C ATOM 163 CG HIS A 14 -0.733 -8.306 -10.161 1.00 0.00 C ATOM 164 ND1 HIS A 14 0.204 -7.818 -11.048 1.00 0.00 N ATOM 165 CD2 HIS A 14 -1.927 -7.820 -10.573 1.00 0.00 C ATOM 166 CE1 HIS A 14 -0.399 -7.069 -11.954 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.693 -7.055 -11.688 1.00 0.00 N ATOM 0 H HIS A 14 1.690 -7.792 -9.201 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.524 -7.852 -7.334 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.312 -9.962 -9.348 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.281 -9.705 -8.665 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.886 -8.001 -10.110 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.084 -6.556 -12.773 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.403 -6.556 -12.224 1.00 0.00 H new ATOM 175 N LEU A 15 0.023 -9.750 -5.797 1.00 0.00 N ATOM 176 CA LEU A 15 0.445 -10.689 -4.764 1.00 0.00 C ATOM 177 C LEU A 15 -0.571 -11.816 -4.604 1.00 0.00 C ATOM 178 O LEU A 15 -1.714 -11.701 -5.046 1.00 0.00 O ATOM 179 CB LEU A 15 0.630 -9.962 -3.431 1.00 0.00 C ATOM 180 CG LEU A 15 1.724 -8.894 -3.396 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.522 -7.961 -2.212 1.00 0.00 C ATOM 182 CD2 LEU A 15 3.100 -9.541 -3.339 1.00 0.00 C ATOM 0 H LEU A 15 -0.911 -9.364 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 15 1.397 -11.123 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.316 -9.493 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.849 -10.704 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 15 1.659 -8.305 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.310 -7.208 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.552 -7.471 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.559 -8.535 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.866 -8.766 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.176 -10.155 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.245 -10.166 -4.220 1.00 0.00 H new ATOM 194 N GLU A 16 -0.147 -12.902 -3.966 1.00 0.00 N ATOM 195 CA GLU A 16 -1.021 -14.049 -3.747 1.00 0.00 C ATOM 196 C GLU A 16 -1.022 -14.459 -2.277 1.00 0.00 C ATOM 197 O GLU A 16 -0.057 -15.041 -1.782 1.00 0.00 O ATOM 198 CB GLU A 16 -0.581 -15.228 -4.616 1.00 0.00 C ATOM 199 CG GLU A 16 -0.772 -14.991 -6.105 1.00 0.00 C ATOM 200 CD GLU A 16 -0.208 -16.116 -6.952 1.00 0.00 C ATOM 201 OE1 GLU A 16 1.011 -16.373 -6.858 1.00 0.00 O ATOM 202 OE2 GLU A 16 -0.983 -16.737 -7.708 1.00 0.00 O ATOM 0 H GLU A 16 0.796 -13.012 -3.592 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.034 -13.760 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.471 -15.439 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.143 -16.115 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.835 -14.879 -6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.290 -14.054 -6.385 1.00 0.00 H new ATOM 209 N LYS A 17 -2.112 -14.150 -1.583 1.00 0.00 N ATOM 210 CA LYS A 17 -2.242 -14.486 -0.170 1.00 0.00 C ATOM 211 C LYS A 17 -3.261 -15.602 0.033 1.00 0.00 C ATOM 212 O LYS A 17 -3.902 -16.051 -0.918 1.00 0.00 O ATOM 213 CB LYS A 17 -2.655 -13.251 0.633 1.00 0.00 C ATOM 214 CG LYS A 17 -4.152 -12.992 0.624 1.00 0.00 C ATOM 215 CD LYS A 17 -4.553 -12.003 1.705 1.00 0.00 C ATOM 216 CE LYS A 17 -4.379 -10.566 1.238 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.450 -9.602 2.371 1.00 0.00 N ATOM 0 H LYS A 17 -2.919 -13.667 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.272 -14.835 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.322 -13.370 1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.141 -12.378 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.450 -12.607 -0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.686 -13.931 0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.592 -12.172 1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.950 -12.173 2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.419 -10.462 0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.151 -10.325 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.497 -8.632 1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.299 -9.797 2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.603 -9.703 2.967 1.00 0.00 H new ATOM 231 N ARG A 18 -3.408 -16.044 1.277 1.00 0.00 N ATOM 232 CA ARG A 18 -4.351 -17.107 1.604 1.00 0.00 C ATOM 233 C ARG A 18 -5.648 -16.531 2.164 1.00 0.00 C ATOM 234 O ARG A 18 -5.627 -15.655 3.028 1.00 0.00 O ATOM 235 CB ARG A 18 -3.731 -18.074 2.616 1.00 0.00 C ATOM 236 CG ARG A 18 -2.519 -18.819 2.082 1.00 0.00 C ATOM 237 CD ARG A 18 -1.242 -18.016 2.274 1.00 0.00 C ATOM 238 NE ARG A 18 -0.145 -18.529 1.457 1.00 0.00 N ATOM 239 CZ ARG A 18 0.619 -19.555 1.814 1.00 0.00 C ATOM 240 NH1 ARG A 18 0.407 -20.175 2.966 1.00 0.00 N ATOM 241 NH2 ARG A 18 1.598 -19.963 1.016 1.00 0.00 N ATOM 0 H ARG A 18 -2.886 -15.683 2.076 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.581 -17.649 0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.441 -17.517 3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.486 -18.798 2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.427 -19.778 2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.660 -19.033 1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.428 -16.973 2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.953 -18.040 3.325 1.00 0.00 H new ATOM 0 HE ARG A 18 0.044 -18.074 0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.345 -19.865 3.581 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.996 -20.963 3.237 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.764 -19.489 0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.185 -20.751 1.290 1.00 0.00 H new ATOM 255 N ARG A 19 -6.774 -17.028 1.664 1.00 0.00 N ATOM 256 CA ARG A 19 -8.081 -16.562 2.112 1.00 0.00 C ATOM 257 C ARG A 19 -8.155 -16.536 3.636 1.00 0.00 C ATOM 258 O ARG A 19 -7.977 -17.560 4.294 1.00 0.00 O ATOM 259 CB ARG A 19 -9.186 -17.458 1.552 1.00 0.00 C ATOM 260 CG ARG A 19 -10.589 -16.969 1.873 1.00 0.00 C ATOM 261 CD ARG A 19 -11.593 -17.431 0.829 1.00 0.00 C ATOM 262 NE ARG A 19 -12.928 -17.608 1.393 1.00 0.00 N ATOM 263 CZ ARG A 19 -14.009 -17.854 0.661 1.00 0.00 C ATOM 264 NH1 ARG A 19 -13.912 -17.952 -0.657 1.00 0.00 N ATOM 265 NH2 ARG A 19 -15.189 -18.002 1.249 1.00 0.00 N ATOM 0 H ARG A 19 -6.808 -17.754 0.948 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.224 -15.547 1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.073 -17.526 0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.062 -18.465 1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.888 -17.337 2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.593 -15.880 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.635 -16.702 0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.256 -18.372 0.394 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.037 -17.539 2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.006 -17.839 -1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.743 -18.141 -1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.266 -17.927 2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.019 -18.191 0.687 1.00 0.00 H new ATOM 279 N GLY A 20 -8.419 -15.356 4.191 1.00 0.00 N ATOM 280 CA GLY A 20 -8.511 -15.219 5.633 1.00 0.00 C ATOM 281 C GLY A 20 -7.151 -15.106 6.293 1.00 0.00 C ATOM 282 O GLY A 20 -6.980 -15.501 7.446 1.00 0.00 O ATOM 0 H GLY A 20 -8.571 -14.494 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.103 -14.336 5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.040 -16.079 6.043 1.00 0.00 H new ATOM 286 N GLU A 21 -6.182 -14.567 5.560 1.00 0.00 N ATOM 287 CA GLU A 21 -4.830 -14.407 6.081 1.00 0.00 C ATOM 288 C GLU A 21 -4.464 -12.930 6.199 1.00 0.00 C ATOM 289 O GLU A 21 -4.581 -12.172 5.237 1.00 0.00 O ATOM 290 CB GLU A 21 -3.823 -15.123 5.178 1.00 0.00 C ATOM 291 CG GLU A 21 -2.375 -14.881 5.570 1.00 0.00 C ATOM 292 CD GLU A 21 -1.886 -15.854 6.625 1.00 0.00 C ATOM 293 OE1 GLU A 21 -2.091 -17.073 6.450 1.00 0.00 O ATOM 294 OE2 GLU A 21 -1.297 -15.396 7.627 1.00 0.00 O ATOM 0 H GLU A 21 -6.308 -14.234 4.604 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.796 -14.853 7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.023 -16.194 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.972 -14.794 4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.744 -14.963 4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.269 -13.862 5.943 1.00 0.00 H new ATOM 301 N GLY A 22 -4.020 -12.529 7.387 1.00 0.00 N ATOM 302 CA GLY A 22 -3.645 -11.145 7.610 1.00 0.00 C ATOM 303 C GLY A 22 -2.574 -10.673 6.647 1.00 0.00 C ATOM 304 O GLY A 22 -1.425 -11.110 6.721 1.00 0.00 O ATOM 0 H GLY A 22 -3.914 -13.138 8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.526 -10.512 7.507 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.286 -11.029 8.633 1.00 0.00 H new ATOM 308 N LEU A 23 -2.950 -9.779 5.739 1.00 0.00 N ATOM 309 CA LEU A 23 -2.013 -9.247 4.755 1.00 0.00 C ATOM 310 C LEU A 23 -0.612 -9.127 5.346 1.00 0.00 C ATOM 311 O LEU A 23 0.385 -9.305 4.648 1.00 0.00 O ATOM 312 CB LEU A 23 -2.487 -7.881 4.256 1.00 0.00 C ATOM 313 CG LEU A 23 -2.076 -7.507 2.831 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.583 -6.118 2.477 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.565 -7.581 2.676 1.00 0.00 C ATOM 0 H LEU A 23 -3.897 -9.407 5.664 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.975 -9.940 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.575 -7.851 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.108 -7.117 4.935 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.527 -8.222 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.281 -5.869 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.671 -6.099 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.161 -5.389 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.290 -7.312 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.093 -6.889 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.227 -8.595 2.887 1.00 0.00 H new ATOM 327 N GLY A 24 -0.545 -8.824 6.639 1.00 0.00 N ATOM 328 CA GLY A 24 0.738 -8.687 7.303 1.00 0.00 C ATOM 329 C GLY A 24 1.508 -7.469 6.832 1.00 0.00 C ATOM 330 O GLY A 24 2.636 -7.585 6.354 1.00 0.00 O ATOM 0 H GLY A 24 -1.356 -8.671 7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.581 -8.620 8.380 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.334 -9.582 7.123 1.00 0.00 H new ATOM 334 N VAL A 25 0.896 -6.297 6.966 1.00 0.00 N ATOM 335 CA VAL A 25 1.531 -5.052 6.550 1.00 0.00 C ATOM 336 C VAL A 25 1.242 -3.930 7.541 1.00 0.00 C ATOM 337 O VAL A 25 0.129 -3.811 8.053 1.00 0.00 O ATOM 338 CB VAL A 25 1.056 -4.620 5.150 1.00 0.00 C ATOM 339 CG1 VAL A 25 1.706 -5.481 4.077 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.460 -4.692 5.056 1.00 0.00 C ATOM 0 H VAL A 25 -0.038 -6.183 7.359 1.00 0.00 H new ATOM 0 HA VAL A 25 2.604 -5.239 6.520 1.00 0.00 H new ATOM 0 HB VAL A 25 1.358 -3.586 4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.359 -5.162 3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.789 -5.374 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.436 -6.525 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.778 -4.383 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.788 -5.715 5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.903 -4.029 5.800 1.00 0.00 H new ATOM 350 N ALA A 26 2.251 -3.107 7.807 1.00 0.00 N ATOM 351 CA ALA A 26 2.105 -1.993 8.734 1.00 0.00 C ATOM 352 C ALA A 26 2.325 -0.659 8.029 1.00 0.00 C ATOM 353 O ALA A 26 3.418 -0.379 7.535 1.00 0.00 O ATOM 354 CB ALA A 26 3.074 -2.143 9.897 1.00 0.00 C ATOM 0 H ALA A 26 3.179 -3.192 7.393 1.00 0.00 H new ATOM 0 HA ALA A 26 1.086 -2.006 9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.954 -1.303 10.582 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.868 -3.074 10.425 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.096 -2.159 9.519 1.00 0.00 H new ATOM 360 N LEU A 27 1.281 0.161 7.984 1.00 0.00 N ATOM 361 CA LEU A 27 1.360 1.466 7.338 1.00 0.00 C ATOM 362 C LEU A 27 1.173 2.589 8.354 1.00 0.00 C ATOM 363 O LEU A 27 0.747 2.353 9.485 1.00 0.00 O ATOM 364 CB LEU A 27 0.303 1.578 6.238 1.00 0.00 C ATOM 365 CG LEU A 27 0.139 0.352 5.338 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.288 0.256 4.822 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.125 0.405 4.180 1.00 0.00 C ATOM 0 H LEU A 27 0.369 -0.055 8.387 1.00 0.00 H new ATOM 0 HA LEU A 27 2.350 1.564 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.658 1.792 6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.550 2.434 5.610 1.00 0.00 H new ATOM 0 HG LEU A 27 0.351 -0.540 5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.386 -0.622 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.975 0.170 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.528 1.151 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.994 -0.475 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.945 1.304 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.143 0.424 4.569 1.00 0.00 H new ATOM 379 N VAL A 28 1.492 3.812 7.942 1.00 0.00 N ATOM 380 CA VAL A 28 1.356 4.972 8.814 1.00 0.00 C ATOM 381 C VAL A 28 0.956 6.212 8.022 1.00 0.00 C ATOM 382 O VAL A 28 0.743 6.144 6.812 1.00 0.00 O ATOM 383 CB VAL A 28 2.665 5.261 9.572 1.00 0.00 C ATOM 384 CG1 VAL A 28 2.897 4.217 10.654 1.00 0.00 C ATOM 385 CG2 VAL A 28 3.839 5.310 8.607 1.00 0.00 C ATOM 0 H VAL A 28 1.846 4.025 7.010 1.00 0.00 H new ATOM 0 HA VAL A 28 0.572 4.736 9.534 1.00 0.00 H new ATOM 0 HB VAL A 28 2.579 6.235 10.053 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.826 4.437 11.179 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.068 4.235 11.361 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.963 3.229 10.198 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.756 5.515 9.160 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.930 4.352 8.096 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.674 6.098 7.873 1.00 0.00 H new ATOM 395 N GLU A 29 0.858 7.343 8.713 1.00 0.00 N ATOM 396 CA GLU A 29 0.483 8.599 8.073 1.00 0.00 C ATOM 397 C GLU A 29 1.688 9.527 7.951 1.00 0.00 C ATOM 398 O GLU A 29 2.306 9.894 8.950 1.00 0.00 O ATOM 399 CB GLU A 29 -0.629 9.289 8.865 1.00 0.00 C ATOM 400 CG GLU A 29 -1.343 10.381 8.087 1.00 0.00 C ATOM 401 CD GLU A 29 -1.672 9.965 6.666 1.00 0.00 C ATOM 402 OE1 GLU A 29 -2.550 9.095 6.491 1.00 0.00 O ATOM 403 OE2 GLU A 29 -1.050 10.509 5.730 1.00 0.00 O ATOM 0 H GLU A 29 1.033 7.416 9.715 1.00 0.00 H new ATOM 0 HA GLU A 29 0.117 8.372 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.358 8.542 9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.204 9.719 9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.264 10.649 8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.718 11.274 8.065 1.00 0.00 H new ATOM 410 N SER A 30 2.015 9.904 6.719 1.00 0.00 N ATOM 411 CA SER A 30 3.148 10.786 6.464 1.00 0.00 C ATOM 412 C SER A 30 2.672 12.185 6.085 1.00 0.00 C ATOM 413 O SER A 30 1.533 12.372 5.659 1.00 0.00 O ATOM 414 CB SER A 30 4.026 10.214 5.350 1.00 0.00 C ATOM 415 OG SER A 30 4.894 9.210 5.849 1.00 0.00 O ATOM 0 H SER A 30 1.511 9.612 5.881 1.00 0.00 H new ATOM 0 HA SER A 30 3.736 10.857 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.396 9.797 4.564 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.612 11.014 4.898 1.00 0.00 H new ATOM 0 HG SER A 30 5.810 9.393 5.553 1.00 0.00 H new ATOM 421 N GLY A 31 3.555 13.167 6.244 1.00 0.00 N ATOM 422 CA GLY A 31 3.208 14.537 5.914 1.00 0.00 C ATOM 423 C GLY A 31 4.389 15.479 6.035 1.00 0.00 C ATOM 424 O GLY A 31 4.284 16.542 6.646 1.00 0.00 O ATOM 0 H GLY A 31 4.504 13.038 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.820 14.575 4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.408 14.875 6.573 1.00 0.00 H new ATOM 428 N TRP A 32 5.517 15.089 5.452 1.00 0.00 N ATOM 429 CA TRP A 32 6.724 15.906 5.498 1.00 0.00 C ATOM 430 C TRP A 32 6.378 17.390 5.443 1.00 0.00 C ATOM 431 O TRP A 32 6.771 18.161 6.317 1.00 0.00 O ATOM 432 CB TRP A 32 7.655 15.543 4.340 1.00 0.00 C ATOM 433 CG TRP A 32 8.298 14.198 4.495 1.00 0.00 C ATOM 434 CD1 TRP A 32 7.855 13.014 3.979 1.00 0.00 C ATOM 435 CD2 TRP A 32 9.500 13.901 5.214 1.00 0.00 C ATOM 436 NE1 TRP A 32 8.709 11.997 4.335 1.00 0.00 N ATOM 437 CE2 TRP A 32 9.726 12.516 5.092 1.00 0.00 C ATOM 438 CE3 TRP A 32 10.407 14.669 5.948 1.00 0.00 C ATOM 439 CZ2 TRP A 32 10.821 11.886 5.678 1.00 0.00 C ATOM 440 CZ3 TRP A 32 11.494 14.043 6.529 1.00 0.00 C ATOM 441 CH2 TRP A 32 11.694 12.663 6.391 1.00 0.00 C ATOM 0 H TRP A 32 5.621 14.212 4.942 1.00 0.00 H new ATOM 0 HA TRP A 32 7.234 15.705 6.440 1.00 0.00 H new ATOM 0 HB2 TRP A 32 7.089 15.562 3.408 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.433 16.302 4.256 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.965 12.894 3.379 1.00 0.00 H new ATOM 0 HE1 TRP A 32 8.603 11.016 4.077 1.00 0.00 H new ATOM 0 HE3 TRP A 32 10.262 15.733 6.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.976 10.822 5.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 12.201 14.627 7.099 1.00 0.00 H new ATOM 0 HH2 TRP A 32 12.554 12.203 6.856 1.00 0.00 H new ATOM 452 N GLY A 33 5.641 17.784 4.409 1.00 0.00 N ATOM 453 CA GLY A 33 5.255 19.175 4.260 1.00 0.00 C ATOM 454 C GLY A 33 3.790 19.407 4.571 1.00 0.00 C ATOM 455 O GLY A 33 3.260 18.863 5.539 1.00 0.00 O ATOM 0 H GLY A 33 5.304 17.165 3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.865 19.791 4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.462 19.499 3.240 1.00 0.00 H new ATOM 459 N SER A 34 3.133 20.219 3.748 1.00 0.00 N ATOM 460 CA SER A 34 1.722 20.527 3.944 1.00 0.00 C ATOM 461 C SER A 34 0.914 20.189 2.694 1.00 0.00 C ATOM 462 O SER A 34 0.013 20.932 2.303 1.00 0.00 O ATOM 463 CB SER A 34 1.544 22.005 4.295 1.00 0.00 C ATOM 464 OG SER A 34 2.159 22.837 3.327 1.00 0.00 O ATOM 0 H SER A 34 3.556 20.675 2.940 1.00 0.00 H new ATOM 0 HA SER A 34 1.354 19.918 4.770 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.482 22.241 4.360 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.975 22.203 5.276 1.00 0.00 H new ATOM 0 HG SER A 34 2.029 23.777 3.573 1.00 0.00 H new ATOM 470 N LEU A 35 1.243 19.063 2.071 1.00 0.00 N ATOM 471 CA LEU A 35 0.550 18.625 0.865 1.00 0.00 C ATOM 472 C LEU A 35 -0.344 17.423 1.157 1.00 0.00 C ATOM 473 O LEU A 35 -0.368 16.912 2.277 1.00 0.00 O ATOM 474 CB LEU A 35 1.560 18.270 -0.227 1.00 0.00 C ATOM 475 CG LEU A 35 2.030 19.428 -1.108 1.00 0.00 C ATOM 476 CD1 LEU A 35 0.855 20.045 -1.850 1.00 0.00 C ATOM 477 CD2 LEU A 35 2.746 20.478 -0.272 1.00 0.00 C ATOM 0 H LEU A 35 1.986 18.437 2.381 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.078 19.446 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.434 17.822 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.118 17.508 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 35 2.733 19.037 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.209 20.867 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.385 19.290 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.127 20.421 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.073 21.294 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.066 20.865 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.613 20.028 0.213 1.00 0.00 H new ATOM 489 N LEU A 36 -1.075 16.976 0.142 1.00 0.00 N ATOM 490 CA LEU A 36 -1.969 15.833 0.289 1.00 0.00 C ATOM 491 C LEU A 36 -1.263 14.676 0.989 1.00 0.00 C ATOM 492 O LEU A 36 -0.078 14.419 0.775 1.00 0.00 O ATOM 493 CB LEU A 36 -2.479 15.380 -1.081 1.00 0.00 C ATOM 494 CG LEU A 36 -1.420 14.855 -2.051 1.00 0.00 C ATOM 495 CD1 LEU A 36 -1.241 13.354 -1.884 1.00 0.00 C ATOM 496 CD2 LEU A 36 -1.798 15.192 -3.486 1.00 0.00 C ATOM 0 H LEU A 36 -1.066 17.387 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.816 16.142 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.223 14.598 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.990 16.220 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.472 15.341 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.484 12.998 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.925 13.137 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.186 12.850 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.033 14.811 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.757 14.733 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.875 16.274 -3.598 1.00 0.00 H new ATOM 508 N PRO A 37 -2.007 13.958 1.843 1.00 0.00 N ATOM 509 CA PRO A 37 -1.474 12.815 2.590 1.00 0.00 C ATOM 510 C PRO A 37 -1.181 11.620 1.689 1.00 0.00 C ATOM 511 O PRO A 37 -1.793 11.460 0.633 1.00 0.00 O ATOM 512 CB PRO A 37 -2.597 12.479 3.574 1.00 0.00 C ATOM 513 CG PRO A 37 -3.837 12.987 2.922 1.00 0.00 C ATOM 514 CD PRO A 37 -3.426 14.207 2.146 1.00 0.00 C ATOM 0 HA PRO A 37 -0.524 13.049 3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.656 11.406 3.755 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.433 12.957 4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.269 12.233 2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.595 13.234 3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.016 14.323 1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.558 15.118 2.730 1.00 0.00 H new ATOM 522 N THR A 38 -0.240 10.782 2.113 1.00 0.00 N ATOM 523 CA THR A 38 0.135 9.602 1.344 1.00 0.00 C ATOM 524 C THR A 38 0.339 8.395 2.253 1.00 0.00 C ATOM 525 O THR A 38 0.595 8.542 3.448 1.00 0.00 O ATOM 526 CB THR A 38 1.423 9.844 0.535 1.00 0.00 C ATOM 527 OG1 THR A 38 2.555 9.870 1.412 1.00 0.00 O ATOM 528 CG2 THR A 38 1.341 11.154 -0.233 1.00 0.00 C ATOM 0 H THR A 38 0.276 10.899 2.985 1.00 0.00 H new ATOM 0 HA THR A 38 -0.685 9.400 0.655 1.00 0.00 H new ATOM 0 HB THR A 38 1.536 9.028 -0.179 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.370 10.023 0.890 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.262 11.303 -0.797 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.496 11.120 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.206 11.978 0.467 1.00 0.00 H new ATOM 536 N ALA A 39 0.224 7.202 1.680 1.00 0.00 N ATOM 537 CA ALA A 39 0.398 5.970 2.438 1.00 0.00 C ATOM 538 C ALA A 39 1.855 5.519 2.427 1.00 0.00 C ATOM 539 O ALA A 39 2.492 5.470 1.374 1.00 0.00 O ATOM 540 CB ALA A 39 -0.499 4.875 1.881 1.00 0.00 C ATOM 0 H ALA A 39 0.011 7.063 0.692 1.00 0.00 H new ATOM 0 HA ALA A 39 0.113 6.167 3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.358 3.961 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.541 5.189 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.242 4.690 0.838 1.00 0.00 H new ATOM 546 N VAL A 40 2.378 5.191 3.604 1.00 0.00 N ATOM 547 CA VAL A 40 3.760 4.745 3.729 1.00 0.00 C ATOM 548 C VAL A 40 3.862 3.519 4.630 1.00 0.00 C ATOM 549 O VAL A 40 3.263 3.475 5.705 1.00 0.00 O ATOM 550 CB VAL A 40 4.661 5.859 4.292 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.128 5.475 4.167 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.385 7.177 3.584 1.00 0.00 C ATOM 0 H VAL A 40 1.865 5.226 4.485 1.00 0.00 H new ATOM 0 HA VAL A 40 4.101 4.485 2.727 1.00 0.00 H new ATOM 0 HB VAL A 40 4.432 5.986 5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.749 6.275 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.312 4.556 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.375 5.318 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.031 7.953 3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.584 7.066 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.342 7.458 3.731 1.00 0.00 H new ATOM 562 N ILE A 41 4.625 2.526 4.186 1.00 0.00 N ATOM 563 CA ILE A 41 4.807 1.301 4.953 1.00 0.00 C ATOM 564 C ILE A 41 5.719 1.534 6.153 1.00 0.00 C ATOM 565 O ILE A 41 6.915 1.777 5.998 1.00 0.00 O ATOM 566 CB ILE A 41 5.398 0.175 4.084 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.517 -0.068 2.857 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.543 -1.102 4.899 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.085 -1.090 1.898 1.00 0.00 C ATOM 0 H ILE A 41 5.127 2.546 3.298 1.00 0.00 H new ATOM 0 HA ILE A 41 3.820 0.998 5.303 1.00 0.00 H new ATOM 0 HB ILE A 41 6.387 0.480 3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.532 -0.399 3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.376 0.875 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.962 -1.889 4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.206 -0.921 5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.565 -1.413 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.408 -1.211 1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.057 -0.751 1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.200 -2.045 2.410 1.00 0.00 H new ATOM 581 N ALA A 42 5.145 1.455 7.349 1.00 0.00 N ATOM 582 CA ALA A 42 5.907 1.654 8.576 1.00 0.00 C ATOM 583 C ALA A 42 6.703 0.404 8.936 1.00 0.00 C ATOM 584 O ALA A 42 7.844 0.492 9.387 1.00 0.00 O ATOM 585 CB ALA A 42 4.978 2.037 9.718 1.00 0.00 C ATOM 0 H ALA A 42 4.155 1.255 7.494 1.00 0.00 H new ATOM 0 HA ALA A 42 6.613 2.467 8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.561 2.182 10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.457 2.962 9.469 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.250 1.242 9.877 1.00 0.00 H new ATOM 591 N ASN A 43 6.092 -0.759 8.734 1.00 0.00 N ATOM 592 CA ASN A 43 6.745 -2.028 9.039 1.00 0.00 C ATOM 593 C ASN A 43 6.081 -3.176 8.285 1.00 0.00 C ATOM 594 O ASN A 43 4.915 -3.087 7.897 1.00 0.00 O ATOM 595 CB ASN A 43 6.701 -2.298 10.545 1.00 0.00 C ATOM 596 CG ASN A 43 7.371 -3.607 10.916 1.00 0.00 C ATOM 597 OD1 ASN A 43 8.591 -3.672 11.066 1.00 0.00 O ATOM 598 ND2 ASN A 43 6.573 -4.658 11.066 1.00 0.00 N ATOM 0 H ASN A 43 5.147 -0.849 8.361 1.00 0.00 H new ATOM 0 HA ASN A 43 7.785 -1.960 8.719 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.191 -1.480 11.073 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.663 -2.317 10.878 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.966 -5.565 11.316 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.567 -4.558 10.932 1.00 0.00 H new ATOM 605 N LEU A 44 6.830 -4.254 8.081 1.00 0.00 N ATOM 606 CA LEU A 44 6.315 -5.421 7.374 1.00 0.00 C ATOM 607 C LEU A 44 6.778 -6.711 8.043 1.00 0.00 C ATOM 608 O LEU A 44 7.944 -6.844 8.418 1.00 0.00 O ATOM 609 CB LEU A 44 6.769 -5.398 5.914 1.00 0.00 C ATOM 610 CG LEU A 44 6.288 -4.210 5.080 1.00 0.00 C ATOM 611 CD1 LEU A 44 6.813 -4.310 3.656 1.00 0.00 C ATOM 612 CD2 LEU A 44 4.768 -4.135 5.085 1.00 0.00 C ATOM 0 H LEU A 44 7.796 -4.344 8.395 1.00 0.00 H new ATOM 0 HA LEU A 44 5.226 -5.386 7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.859 -5.413 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.428 -6.315 5.434 1.00 0.00 H new ATOM 0 HG LEU A 44 6.679 -3.296 5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.460 -3.456 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.903 -4.314 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.452 -5.232 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.444 -3.284 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.357 -5.052 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.413 -4.015 6.109 1.00 0.00 H new ATOM 624 N LEU A 45 5.860 -7.660 8.187 1.00 0.00 N ATOM 625 CA LEU A 45 6.174 -8.942 8.808 1.00 0.00 C ATOM 626 C LEU A 45 6.955 -9.835 7.849 1.00 0.00 C ATOM 627 O LEU A 45 6.386 -10.415 6.923 1.00 0.00 O ATOM 628 CB LEU A 45 4.890 -9.646 9.249 1.00 0.00 C ATOM 629 CG LEU A 45 5.062 -10.798 10.239 1.00 0.00 C ATOM 630 CD1 LEU A 45 3.739 -11.125 10.914 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.622 -12.027 9.536 1.00 0.00 C ATOM 0 H LEU A 45 4.891 -7.566 7.882 1.00 0.00 H new ATOM 0 HA LEU A 45 6.795 -8.751 9.684 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.228 -8.904 9.697 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.386 -10.028 8.361 1.00 0.00 H new ATOM 0 HG LEU A 45 5.771 -10.488 11.007 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.882 -11.947 11.615 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.378 -10.248 11.452 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.007 -11.414 10.160 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.738 -12.837 10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.938 -12.338 8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.592 -11.787 9.101 1.00 0.00 H new ATOM 643 N HIS A 46 8.259 -9.943 8.078 1.00 0.00 N ATOM 644 CA HIS A 46 9.118 -10.768 7.235 1.00 0.00 C ATOM 645 C HIS A 46 8.542 -12.173 7.085 1.00 0.00 C ATOM 646 O HIS A 46 8.739 -13.031 7.944 1.00 0.00 O ATOM 647 CB HIS A 46 10.527 -10.842 7.824 1.00 0.00 C ATOM 648 CG HIS A 46 11.382 -9.661 7.482 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.189 -8.895 6.352 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.437 -9.115 8.130 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.090 -7.930 6.318 1.00 0.00 C ATOM 652 NE2 HIS A 46 12.860 -8.040 7.386 1.00 0.00 N ATOM 0 H HIS A 46 8.745 -9.470 8.840 1.00 0.00 H new ATOM 0 HA HIS A 46 9.169 -10.307 6.248 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.455 -10.926 8.908 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.014 -11.749 7.466 1.00 0.00 H new ATOM 0 HD1 HIS A 46 10.464 -9.049 5.652 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.867 -9.460 9.059 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.182 -7.178 5.548 1.00 0.00 H new ATOM 660 N GLY A 47 7.829 -12.401 5.986 1.00 0.00 N ATOM 661 CA GLY A 47 7.235 -13.703 5.743 1.00 0.00 C ATOM 662 C GLY A 47 5.818 -13.604 5.215 1.00 0.00 C ATOM 663 O GLY A 47 5.248 -14.594 4.757 1.00 0.00 O ATOM 0 H GLY A 47 7.652 -11.707 5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.848 -14.251 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.235 -14.278 6.669 1.00 0.00 H new ATOM 667 N GLY A 48 5.246 -12.405 5.279 1.00 0.00 N ATOM 668 CA GLY A 48 3.890 -12.204 4.802 1.00 0.00 C ATOM 669 C GLY A 48 3.789 -12.287 3.292 1.00 0.00 C ATOM 670 O GLY A 48 4.790 -12.418 2.588 1.00 0.00 O ATOM 0 H GLY A 48 5.697 -11.570 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.236 -12.953 5.249 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.532 -11.230 5.134 1.00 0.00 H new ATOM 674 N PRO A 49 2.555 -12.211 2.772 1.00 0.00 N ATOM 675 CA PRO A 49 2.297 -12.277 1.331 1.00 0.00 C ATOM 676 C PRO A 49 2.789 -11.035 0.596 1.00 0.00 C ATOM 677 O PRO A 49 3.124 -11.093 -0.586 1.00 0.00 O ATOM 678 CB PRO A 49 0.772 -12.379 1.247 1.00 0.00 C ATOM 679 CG PRO A 49 0.281 -11.749 2.505 1.00 0.00 C ATOM 680 CD PRO A 49 1.316 -12.053 3.552 1.00 0.00 C ATOM 0 HA PRO A 49 2.820 -13.110 0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.388 -11.860 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.448 -13.417 1.171 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.157 -10.673 2.380 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.691 -12.151 2.789 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.400 -11.246 4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.072 -12.959 4.107 1.00 0.00 H new ATOM 688 N ALA A 50 2.830 -9.911 1.305 1.00 0.00 N ATOM 689 CA ALA A 50 3.284 -8.655 0.721 1.00 0.00 C ATOM 690 C ALA A 50 4.787 -8.477 0.902 1.00 0.00 C ATOM 691 O ALA A 50 5.418 -7.695 0.191 1.00 0.00 O ATOM 692 CB ALA A 50 2.533 -7.484 1.338 1.00 0.00 C ATOM 0 H ALA A 50 2.554 -9.845 2.285 1.00 0.00 H new ATOM 0 HA ALA A 50 3.075 -8.683 -0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.882 -6.552 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.465 -7.598 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.713 -7.462 2.413 1.00 0.00 H new ATOM 698 N GLU A 51 5.354 -9.206 1.858 1.00 0.00 N ATOM 699 CA GLU A 51 6.784 -9.126 2.132 1.00 0.00 C ATOM 700 C GLU A 51 7.553 -10.164 1.320 1.00 0.00 C ATOM 701 O GLU A 51 8.636 -9.887 0.805 1.00 0.00 O ATOM 702 CB GLU A 51 7.052 -9.329 3.625 1.00 0.00 C ATOM 703 CG GLU A 51 8.513 -9.168 4.009 1.00 0.00 C ATOM 704 CD GLU A 51 9.287 -10.469 3.918 1.00 0.00 C ATOM 705 OE1 GLU A 51 8.729 -11.455 3.392 1.00 0.00 O ATOM 706 OE2 GLU A 51 10.450 -10.501 4.371 1.00 0.00 O ATOM 0 H GLU A 51 4.846 -9.858 2.455 1.00 0.00 H new ATOM 0 HA GLU A 51 7.129 -8.134 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.455 -8.615 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.717 -10.325 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.977 -8.427 3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.577 -8.782 5.026 1.00 0.00 H new ATOM 713 N ARG A 52 6.985 -11.361 1.212 1.00 0.00 N ATOM 714 CA ARG A 52 7.617 -12.442 0.465 1.00 0.00 C ATOM 715 C ARG A 52 8.007 -11.979 -0.936 1.00 0.00 C ATOM 716 O ARG A 52 8.931 -12.520 -1.544 1.00 0.00 O ATOM 717 CB ARG A 52 6.677 -13.645 0.373 1.00 0.00 C ATOM 718 CG ARG A 52 5.448 -13.393 -0.486 1.00 0.00 C ATOM 719 CD ARG A 52 4.765 -14.694 -0.876 1.00 0.00 C ATOM 720 NE ARG A 52 5.436 -15.351 -1.995 1.00 0.00 N ATOM 721 CZ ARG A 52 5.398 -14.899 -3.243 1.00 0.00 C ATOM 722 NH1 ARG A 52 4.724 -13.793 -3.531 1.00 0.00 N ATOM 723 NH2 ARG A 52 6.034 -15.552 -4.207 1.00 0.00 N ATOM 0 H ARG A 52 6.089 -11.606 1.632 1.00 0.00 H new ATOM 0 HA ARG A 52 8.522 -12.737 0.997 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.226 -14.494 -0.034 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.357 -13.923 1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.746 -12.761 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.737 -12.848 -1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.749 -15.366 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.728 -14.493 -1.143 1.00 0.00 H new ATOM 0 HE ARG A 52 5.963 -16.204 -1.807 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.234 -13.288 -2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.696 -13.448 -4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.553 -16.403 -3.990 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.004 -15.203 -5.165 1.00 0.00 H new ATOM 737 N SER A 53 7.297 -10.976 -1.441 1.00 0.00 N ATOM 738 CA SER A 53 7.565 -10.443 -2.772 1.00 0.00 C ATOM 739 C SER A 53 9.032 -10.047 -2.912 1.00 0.00 C ATOM 740 O SER A 53 9.669 -10.331 -3.926 1.00 0.00 O ATOM 741 CB SER A 53 6.670 -9.234 -3.051 1.00 0.00 C ATOM 742 OG SER A 53 7.093 -8.104 -2.307 1.00 0.00 O ATOM 0 H SER A 53 6.531 -10.516 -0.949 1.00 0.00 H new ATOM 0 HA SER A 53 7.345 -11.224 -3.500 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.690 -9.001 -4.116 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.638 -9.475 -2.797 1.00 0.00 H new ATOM 0 HG SER A 53 7.067 -8.314 -1.350 1.00 0.00 H new ATOM 748 N GLY A 54 9.562 -9.389 -1.886 1.00 0.00 N ATOM 749 CA GLY A 54 10.949 -8.964 -1.914 1.00 0.00 C ATOM 750 C GLY A 54 11.121 -7.586 -2.521 1.00 0.00 C ATOM 751 O GLY A 54 12.066 -6.869 -2.191 1.00 0.00 O ATOM 0 H GLY A 54 9.055 -9.143 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.346 -8.963 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.535 -9.685 -2.484 1.00 0.00 H new ATOM 755 N ALA A 55 10.207 -7.214 -3.410 1.00 0.00 N ATOM 756 CA ALA A 55 10.262 -5.912 -4.064 1.00 0.00 C ATOM 757 C ALA A 55 9.649 -4.829 -3.183 1.00 0.00 C ATOM 758 O ALA A 55 10.026 -3.660 -3.266 1.00 0.00 O ATOM 759 CB ALA A 55 9.551 -5.967 -5.409 1.00 0.00 C ATOM 0 H ALA A 55 9.419 -7.796 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 55 11.309 -5.659 -4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.600 -4.988 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.036 -6.706 -6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.508 -6.246 -5.258 1.00 0.00 H new ATOM 765 N LEU A 56 8.701 -5.225 -2.340 1.00 0.00 N ATOM 766 CA LEU A 56 8.035 -4.287 -1.443 1.00 0.00 C ATOM 767 C LEU A 56 8.706 -4.273 -0.073 1.00 0.00 C ATOM 768 O LEU A 56 8.822 -5.308 0.583 1.00 0.00 O ATOM 769 CB LEU A 56 6.557 -4.655 -1.296 1.00 0.00 C ATOM 770 CG LEU A 56 5.899 -5.292 -2.520 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.728 -6.168 -2.101 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.442 -4.220 -3.498 1.00 0.00 C ATOM 0 H LEU A 56 8.377 -6.189 -2.259 1.00 0.00 H new ATOM 0 HA LEU A 56 8.114 -3.290 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.456 -5.342 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.002 -3.753 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 56 6.636 -5.921 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.272 -6.613 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.083 -6.958 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.989 -5.561 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.976 -4.692 -4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.721 -3.565 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.302 -3.634 -3.823 1.00 0.00 H new ATOM 784 N SER A 57 9.146 -3.093 0.352 1.00 0.00 N ATOM 785 CA SER A 57 9.807 -2.944 1.644 1.00 0.00 C ATOM 786 C SER A 57 9.408 -1.631 2.310 1.00 0.00 C ATOM 787 O SER A 57 8.850 -0.741 1.667 1.00 0.00 O ATOM 788 CB SER A 57 11.326 -3.001 1.472 1.00 0.00 C ATOM 789 OG SER A 57 11.764 -2.072 0.496 1.00 0.00 O ATOM 0 H SER A 57 9.057 -2.227 -0.179 1.00 0.00 H new ATOM 0 HA SER A 57 9.490 -3.767 2.284 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.811 -2.788 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.625 -4.008 1.180 1.00 0.00 H new ATOM 0 HG SER A 57 12.738 -2.127 0.406 1.00 0.00 H new ATOM 795 N ILE A 58 9.698 -1.519 3.602 1.00 0.00 N ATOM 796 CA ILE A 58 9.371 -0.314 4.355 1.00 0.00 C ATOM 797 C ILE A 58 9.843 0.937 3.624 1.00 0.00 C ATOM 798 O ILE A 58 11.009 1.048 3.250 1.00 0.00 O ATOM 799 CB ILE A 58 10.000 -0.342 5.761 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.493 -1.553 6.547 1.00 0.00 C ATOM 801 CG2 ILE A 58 9.688 0.947 6.506 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.276 -1.823 7.812 1.00 0.00 C ATOM 0 H ILE A 58 10.158 -2.247 4.149 1.00 0.00 H new ATOM 0 HA ILE A 58 8.286 -0.287 4.451 1.00 0.00 H new ATOM 0 HB ILE A 58 11.082 -0.427 5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.445 -1.396 6.804 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.536 -2.435 5.908 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.139 0.912 7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.093 1.794 5.953 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.608 1.059 6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.861 -2.695 8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.320 -2.012 7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.212 -0.957 8.471 1.00 0.00 H new ATOM 814 N GLY A 59 8.927 1.880 3.424 1.00 0.00 N ATOM 815 CA GLY A 59 9.268 3.113 2.739 1.00 0.00 C ATOM 816 C GLY A 59 8.387 3.370 1.533 1.00 0.00 C ATOM 817 O GLY A 59 7.852 4.467 1.369 1.00 0.00 O ATOM 0 H GLY A 59 7.955 1.812 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.179 3.948 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.310 3.072 2.422 1.00 0.00 H new ATOM 821 N ASP A 60 8.235 2.358 0.686 1.00 0.00 N ATOM 822 CA ASP A 60 7.413 2.480 -0.512 1.00 0.00 C ATOM 823 C ASP A 60 6.098 3.187 -0.199 1.00 0.00 C ATOM 824 O ASP A 60 5.469 2.923 0.826 1.00 0.00 O ATOM 825 CB ASP A 60 7.134 1.099 -1.107 1.00 0.00 C ATOM 826 CG ASP A 60 8.379 0.457 -1.688 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.318 0.176 -0.914 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.413 0.234 -2.916 1.00 0.00 O ATOM 0 H ASP A 60 8.671 1.444 0.807 1.00 0.00 H new ATOM 0 HA ASP A 60 7.962 3.077 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.721 0.450 -0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.377 1.188 -1.886 1.00 0.00 H new ATOM 833 N ARG A 61 5.690 4.087 -1.087 1.00 0.00 N ATOM 834 CA ARG A 61 4.451 4.834 -0.905 1.00 0.00 C ATOM 835 C ARG A 61 3.314 4.206 -1.705 1.00 0.00 C ATOM 836 O ARG A 61 3.372 4.131 -2.933 1.00 0.00 O ATOM 837 CB ARG A 61 4.643 6.292 -1.328 1.00 0.00 C ATOM 838 CG ARG A 61 3.379 7.129 -1.216 1.00 0.00 C ATOM 839 CD ARG A 61 2.451 6.898 -2.398 1.00 0.00 C ATOM 840 NE ARG A 61 1.652 8.081 -2.706 1.00 0.00 N ATOM 841 CZ ARG A 61 2.154 9.187 -3.245 1.00 0.00 C ATOM 842 NH1 ARG A 61 3.446 9.260 -3.534 1.00 0.00 N ATOM 843 NH2 ARG A 61 1.363 10.222 -3.496 1.00 0.00 N ATOM 0 H ARG A 61 6.199 4.317 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 61 4.188 4.801 0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.422 6.741 -0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.997 6.319 -2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.859 6.882 -0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.644 8.185 -1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.040 6.621 -3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.789 6.060 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 61 0.654 8.057 -2.496 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.057 8.466 -3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.829 10.110 -3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.369 10.169 -3.275 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.749 11.071 -3.910 1.00 0.00 H new ATOM 857 N LEU A 62 2.282 3.755 -1.001 1.00 0.00 N ATOM 858 CA LEU A 62 1.130 3.132 -1.646 1.00 0.00 C ATOM 859 C LEU A 62 0.133 4.186 -2.115 1.00 0.00 C ATOM 860 O LEU A 62 -0.130 5.165 -1.415 1.00 0.00 O ATOM 861 CB LEU A 62 0.447 2.160 -0.683 1.00 0.00 C ATOM 862 CG LEU A 62 -0.824 1.484 -1.201 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.090 0.194 -0.442 1.00 0.00 C ATOM 864 CD2 LEU A 62 -2.013 2.427 -1.088 1.00 0.00 C ATOM 0 H LEU A 62 2.219 3.809 0.016 1.00 0.00 H new ATOM 0 HA LEU A 62 1.485 2.582 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.163 1.384 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.201 2.699 0.232 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.679 1.238 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.998 -0.273 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.249 -0.486 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.214 0.415 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.908 1.930 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.160 2.704 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.824 3.324 -1.678 1.00 0.00 H new ATOM 876 N THR A 63 -0.422 3.980 -3.306 1.00 0.00 N ATOM 877 CA THR A 63 -1.391 4.911 -3.869 1.00 0.00 C ATOM 878 C THR A 63 -2.767 4.266 -3.992 1.00 0.00 C ATOM 879 O THR A 63 -3.786 4.955 -4.025 1.00 0.00 O ATOM 880 CB THR A 63 -0.947 5.415 -5.255 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.190 4.407 -6.243 1.00 0.00 O ATOM 882 CG2 THR A 63 0.530 5.781 -5.250 1.00 0.00 C ATOM 0 H THR A 63 -0.216 3.176 -3.899 1.00 0.00 H new ATOM 0 HA THR A 63 -1.450 5.757 -3.185 1.00 0.00 H new ATOM 0 HB THR A 63 -1.525 6.307 -5.496 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.907 4.735 -7.122 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.821 6.134 -6.239 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.707 6.568 -4.517 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.121 4.903 -4.990 1.00 0.00 H new ATOM 890 N ALA A 64 -2.788 2.938 -4.060 1.00 0.00 N ATOM 891 CA ALA A 64 -4.039 2.200 -4.177 1.00 0.00 C ATOM 892 C ALA A 64 -3.804 0.698 -4.051 1.00 0.00 C ATOM 893 O ALA A 64 -2.686 0.218 -4.237 1.00 0.00 O ATOM 894 CB ALA A 64 -4.720 2.521 -5.499 1.00 0.00 C ATOM 0 H ALA A 64 -1.953 2.353 -4.036 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.692 2.509 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.653 1.963 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.931 3.589 -5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.064 2.242 -6.323 1.00 0.00 H new ATOM 900 N ILE A 65 -4.864 -0.037 -3.734 1.00 0.00 N ATOM 901 CA ILE A 65 -4.772 -1.484 -3.585 1.00 0.00 C ATOM 902 C ILE A 65 -5.685 -2.199 -4.575 1.00 0.00 C ATOM 903 O ILE A 65 -6.894 -2.291 -4.365 1.00 0.00 O ATOM 904 CB ILE A 65 -5.138 -1.927 -2.155 1.00 0.00 C ATOM 905 CG1 ILE A 65 -4.141 -1.349 -1.149 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.172 -3.445 -2.063 1.00 0.00 C ATOM 907 CD1 ILE A 65 -4.548 -1.558 0.293 1.00 0.00 C ATOM 0 H ILE A 65 -5.796 0.345 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.736 -1.756 -3.788 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.131 -1.546 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.165 -1.807 -1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.027 -0.281 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.432 -3.742 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.917 -3.835 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.192 -3.847 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.795 -1.123 0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.509 -1.076 0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.634 -2.626 0.496 1.00 0.00 H new ATOM 919 N ASN A 66 -5.098 -2.704 -5.655 1.00 0.00 N ATOM 920 CA ASN A 66 -5.859 -3.412 -6.678 1.00 0.00 C ATOM 921 C ASN A 66 -7.121 -2.640 -7.050 1.00 0.00 C ATOM 922 O ASN A 66 -8.179 -3.227 -7.269 1.00 0.00 O ATOM 923 CB ASN A 66 -6.230 -4.813 -6.189 1.00 0.00 C ATOM 924 CG ASN A 66 -7.007 -4.784 -4.886 1.00 0.00 C ATOM 925 OD1 ASN A 66 -8.140 -4.303 -4.837 1.00 0.00 O ATOM 926 ND2 ASN A 66 -6.400 -5.298 -3.824 1.00 0.00 N ATOM 0 H ASN A 66 -4.098 -2.636 -5.844 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.233 -3.498 -7.566 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.824 -5.316 -6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.322 -5.400 -6.054 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.873 -5.305 -2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.461 -5.686 -3.911 1.00 0.00 H new ATOM 933 N GLY A 67 -7.000 -1.317 -7.119 1.00 0.00 N ATOM 934 CA GLY A 67 -8.138 -0.485 -7.465 1.00 0.00 C ATOM 935 C GLY A 67 -8.596 0.380 -6.308 1.00 0.00 C ATOM 936 O GLY A 67 -9.135 1.468 -6.511 1.00 0.00 O ATOM 0 H GLY A 67 -6.135 -0.807 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.875 0.152 -8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.963 -1.119 -7.789 1.00 0.00 H new ATOM 940 N THR A 68 -8.385 -0.106 -5.088 1.00 0.00 N ATOM 941 CA THR A 68 -8.783 0.629 -3.894 1.00 0.00 C ATOM 942 C THR A 68 -7.961 1.902 -3.732 1.00 0.00 C ATOM 943 O THR A 68 -7.016 1.946 -2.945 1.00 0.00 O ATOM 944 CB THR A 68 -8.629 -0.233 -2.627 1.00 0.00 C ATOM 945 OG1 THR A 68 -8.995 -1.589 -2.909 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.494 0.306 -1.497 1.00 0.00 C ATOM 0 H THR A 68 -7.941 -1.005 -4.902 1.00 0.00 H new ATOM 0 HA THR A 68 -9.833 0.892 -4.020 1.00 0.00 H new ATOM 0 HB THR A 68 -7.585 -0.196 -2.314 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.198 -2.096 -3.169 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.369 -0.319 -0.613 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.194 1.328 -1.265 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.540 0.296 -1.803 1.00 0.00 H new ATOM 954 N SER A 69 -8.327 2.937 -4.481 1.00 0.00 N ATOM 955 CA SER A 69 -7.621 4.211 -4.422 1.00 0.00 C ATOM 956 C SER A 69 -7.492 4.695 -2.981 1.00 0.00 C ATOM 957 O SER A 69 -8.492 4.945 -2.306 1.00 0.00 O ATOM 958 CB SER A 69 -8.349 5.262 -5.262 1.00 0.00 C ATOM 959 OG SER A 69 -7.443 6.221 -5.778 1.00 0.00 O ATOM 0 H SER A 69 -9.109 2.918 -5.136 1.00 0.00 H new ATOM 0 HA SER A 69 -6.620 4.062 -4.828 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.874 4.775 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.103 5.761 -4.653 1.00 0.00 H new ATOM 0 HG SER A 69 -7.933 6.880 -6.312 1.00 0.00 H new ATOM 965 N LEU A 70 -6.255 4.825 -2.515 1.00 0.00 N ATOM 966 CA LEU A 70 -5.994 5.279 -1.153 1.00 0.00 C ATOM 967 C LEU A 70 -5.275 6.624 -1.157 1.00 0.00 C ATOM 968 O LEU A 70 -4.791 7.084 -0.122 1.00 0.00 O ATOM 969 CB LEU A 70 -5.157 4.243 -0.401 1.00 0.00 C ATOM 970 CG LEU A 70 -5.878 2.951 -0.014 1.00 0.00 C ATOM 971 CD1 LEU A 70 -4.966 2.058 0.812 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.157 3.263 0.750 1.00 0.00 C ATOM 0 H LEU A 70 -5.417 4.623 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.951 5.401 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.296 3.984 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.772 4.706 0.507 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.144 2.418 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.496 1.143 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.079 1.807 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.669 2.582 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.657 2.332 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.913 3.817 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.818 3.863 0.124 1.00 0.00 H new ATOM 984 N VAL A 71 -5.211 7.253 -2.327 1.00 0.00 N ATOM 985 CA VAL A 71 -4.554 8.547 -2.464 1.00 0.00 C ATOM 986 C VAL A 71 -5.464 9.677 -1.996 1.00 0.00 C ATOM 987 O VAL A 71 -6.575 9.841 -2.497 1.00 0.00 O ATOM 988 CB VAL A 71 -4.134 8.811 -3.922 1.00 0.00 C ATOM 989 CG1 VAL A 71 -5.325 9.276 -4.746 1.00 0.00 C ATOM 990 CG2 VAL A 71 -3.008 9.833 -3.975 1.00 0.00 C ATOM 0 H VAL A 71 -5.606 6.887 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.663 8.518 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.768 7.878 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.008 9.457 -5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.098 8.507 -4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.724 10.197 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.724 10.008 -5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.345 10.769 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.148 9.456 -3.422 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.983 10.456 -1.031 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.766 11.562 -0.512 1.00 0.00 C ATOM 1002 C GLY A 72 -6.660 11.148 0.641 1.00 0.00 C ATOM 1003 O GLY A 72 -7.463 11.944 1.130 1.00 0.00 O ATOM 0 H GLY A 72 -4.066 10.341 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.095 12.355 -0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.379 11.977 -1.312 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.524 9.900 1.075 1.00 0.00 N ATOM 1008 CA LEU A 73 -7.327 9.381 2.177 1.00 0.00 C ATOM 1009 C LEU A 73 -6.510 9.316 3.463 1.00 0.00 C ATOM 1010 O LEU A 73 -5.289 9.156 3.444 1.00 0.00 O ATOM 1011 CB LEU A 73 -7.866 7.992 1.830 1.00 0.00 C ATOM 1012 CG LEU A 73 -8.917 7.937 0.721 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -9.449 6.522 0.559 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -10.053 8.906 1.015 1.00 0.00 C ATOM 0 H LEU A 73 -5.865 9.228 0.681 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.165 10.060 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.026 7.361 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.295 7.555 2.732 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.445 8.235 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.196 6.503 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.629 5.852 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.905 6.195 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.792 8.854 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.523 8.639 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.659 9.920 1.079 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.197 9.440 4.608 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.556 9.396 5.925 1.00 0.00 C ATOM 1028 C PRO A 74 -6.039 8.004 6.272 1.00 0.00 C ATOM 1029 O PRO A 74 -6.669 6.997 5.943 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.680 9.803 6.881 1.00 0.00 C ATOM 1031 CG PRO A 74 -8.935 9.434 6.168 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.654 9.633 4.705 1.00 0.00 C ATOM 0 HA PRO A 74 -5.681 10.044 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.598 9.281 7.834 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.648 10.871 7.099 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.212 8.400 6.375 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.767 10.058 6.494 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.196 8.915 4.090 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.951 10.627 4.370 1.00 0.00 H new ATOM 1040 N LEU A 75 -4.891 7.952 6.938 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.290 6.682 7.330 1.00 0.00 C ATOM 1042 C LEU A 75 -5.358 5.691 7.781 1.00 0.00 C ATOM 1043 O LEU A 75 -5.361 4.534 7.363 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.275 6.901 8.453 1.00 0.00 C ATOM 1045 CG LEU A 75 -2.944 5.677 9.307 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -1.979 4.759 8.572 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.362 6.103 10.647 1.00 0.00 C ATOM 0 H LEU A 75 -4.357 8.775 7.218 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.778 6.267 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.350 7.272 8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.653 7.685 9.109 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.867 5.127 9.493 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.755 3.893 9.195 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.433 4.427 7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.057 5.299 8.355 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.132 5.219 11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.450 6.676 10.482 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.087 6.720 11.179 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.265 6.154 8.636 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.340 5.309 9.140 1.00 0.00 C ATOM 1061 C ALA A 76 -7.943 4.463 8.024 1.00 0.00 C ATOM 1062 O ALA A 76 -7.969 3.235 8.108 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.415 6.161 9.799 1.00 0.00 C ATOM 0 H ALA A 76 -6.276 7.109 8.994 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.919 4.633 9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.212 5.517 10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.980 6.717 10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.824 6.860 9.069 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.427 5.127 6.979 1.00 0.00 N ATOM 1070 CA ALA A 77 -9.028 4.435 5.846 1.00 0.00 C ATOM 1071 C ALA A 77 -8.158 3.268 5.391 1.00 0.00 C ATOM 1072 O ALA A 77 -8.620 2.128 5.320 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.256 5.405 4.696 1.00 0.00 C ATOM 0 H ALA A 77 -8.414 6.143 6.894 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.990 4.034 6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.705 4.875 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.924 6.203 5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.302 5.833 4.386 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.899 3.559 5.084 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.965 2.533 4.634 1.00 0.00 C ATOM 1081 C CYS A 78 -5.800 1.446 5.691 1.00 0.00 C ATOM 1082 O CYS A 78 -5.595 0.277 5.366 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.607 3.157 4.311 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.697 4.599 3.224 1.00 0.00 S ATOM 0 H CYS A 78 -6.501 4.497 5.138 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.372 2.077 3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.122 3.448 5.243 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.974 2.402 3.844 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.717 4.561 2.371 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.891 1.841 6.957 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.749 0.900 8.062 1.00 0.00 C ATOM 1092 C GLN A 79 -6.933 -0.059 8.116 1.00 0.00 C ATOM 1093 O GLN A 79 -6.774 -1.241 8.418 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.627 1.653 9.388 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.208 2.093 9.711 1.00 0.00 C ATOM 1096 CD GLN A 79 -3.994 2.335 11.192 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -4.485 3.317 11.749 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -3.259 1.438 11.839 1.00 0.00 N ATOM 0 H GLN A 79 -6.062 2.805 7.243 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.842 0.319 7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.273 2.531 9.358 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.993 1.016 10.193 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.508 1.331 9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.981 3.006 9.161 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.871 0.639 11.337 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.082 1.548 12.837 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.121 0.458 7.820 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.332 -0.353 7.833 1.00 0.00 C ATOM 1109 C ALA A 80 -9.509 -1.096 6.513 1.00 0.00 C ATOM 1110 O ALA A 80 -10.170 -2.133 6.457 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.548 0.517 8.117 1.00 0.00 C ATOM 0 H ALA A 80 -8.270 1.435 7.568 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.235 -1.093 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.445 -0.102 8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.432 0.998 9.088 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.639 1.279 7.343 1.00 0.00 H new ATOM 1117 N ALA A 81 -8.915 -0.559 5.452 1.00 0.00 N ATOM 1118 CA ALA A 81 -9.006 -1.172 4.133 1.00 0.00 C ATOM 1119 C ALA A 81 -8.053 -2.357 4.012 1.00 0.00 C ATOM 1120 O ALA A 81 -8.439 -3.432 3.553 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.712 -0.144 3.052 1.00 0.00 C ATOM 0 H ALA A 81 -8.365 0.300 5.481 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.023 -1.541 4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.784 -0.616 2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.435 0.669 3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.706 0.253 3.191 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.807 -2.153 4.426 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.799 -3.205 4.364 1.00 0.00 C ATOM 1129 C VAL A 82 -6.318 -4.501 4.975 1.00 0.00 C ATOM 1130 O VAL A 82 -6.029 -5.591 4.482 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.507 -2.788 5.092 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.811 -2.379 6.525 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.487 -3.916 5.055 1.00 0.00 C ATOM 0 H VAL A 82 -6.471 -1.269 4.808 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.577 -3.368 3.309 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.081 -1.927 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.887 -2.088 7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.504 -1.537 6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.261 -3.218 7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.581 -3.604 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.901 -4.797 5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.248 -4.156 4.019 1.00 0.00 H new ATOM 1143 N ARG A 83 -7.088 -4.374 6.051 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.648 -5.536 6.731 1.00 0.00 C ATOM 1145 C ARG A 83 -8.611 -6.288 5.817 1.00 0.00 C ATOM 1146 O ARG A 83 -8.750 -7.507 5.915 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.371 -5.106 8.008 1.00 0.00 C ATOM 1148 CG ARG A 83 -7.469 -5.056 9.231 1.00 0.00 C ATOM 1149 CD ARG A 83 -6.749 -3.721 9.337 1.00 0.00 C ATOM 1150 NE ARG A 83 -5.607 -3.786 10.246 1.00 0.00 N ATOM 1151 CZ ARG A 83 -4.466 -4.397 9.949 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -4.314 -4.993 8.774 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -3.473 -4.413 10.829 1.00 0.00 N ATOM 0 H ARG A 83 -7.338 -3.479 6.470 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.827 -6.203 6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.812 -4.122 7.852 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.192 -5.796 8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.063 -5.223 10.130 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.737 -5.862 9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.408 -3.413 8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.447 -2.959 9.685 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.691 -3.338 11.158 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.075 -4.983 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.436 -5.461 8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.586 -3.956 11.734 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.597 -4.882 10.601 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.274 -5.553 4.930 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.225 -6.151 4.000 1.00 0.00 C ATOM 1169 C GLU A 84 -9.543 -7.197 3.123 1.00 0.00 C ATOM 1170 O GLU A 84 -10.090 -8.274 2.881 1.00 0.00 O ATOM 1171 CB GLU A 84 -10.863 -5.072 3.123 1.00 0.00 C ATOM 1172 CG GLU A 84 -11.684 -4.060 3.904 1.00 0.00 C ATOM 1173 CD GLU A 84 -11.975 -2.804 3.106 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -11.267 -2.560 2.106 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -12.908 -2.065 3.481 1.00 0.00 O ATOM 0 H GLU A 84 -9.170 -4.543 4.836 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.004 -6.642 4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.078 -4.548 2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.502 -5.550 2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.625 -4.519 4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.151 -3.791 4.816 1.00 0.00 H new ATOM 1182 N THR A 85 -8.344 -6.873 2.648 1.00 0.00 N ATOM 1183 CA THR A 85 -7.587 -7.782 1.797 1.00 0.00 C ATOM 1184 C THR A 85 -7.459 -9.159 2.440 1.00 0.00 C ATOM 1185 O THR A 85 -7.120 -10.137 1.774 1.00 0.00 O ATOM 1186 CB THR A 85 -6.179 -7.234 1.501 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.414 -7.169 2.709 1.00 0.00 O ATOM 1188 CG2 THR A 85 -6.258 -5.851 0.871 1.00 0.00 C ATOM 0 H THR A 85 -7.876 -5.987 2.839 1.00 0.00 H new ATOM 0 HA THR A 85 -8.138 -7.870 0.861 1.00 0.00 H new ATOM 0 HB THR A 85 -5.691 -7.910 0.798 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.563 -6.304 3.145 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.251 -5.484 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.816 -5.908 -0.064 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.764 -5.168 1.554 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.733 -9.228 3.738 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.651 -10.485 4.472 1.00 0.00 C ATOM 1198 C LYS A 86 -8.655 -11.498 3.930 1.00 0.00 C ATOM 1199 O LYS A 86 -8.592 -12.683 4.257 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.903 -10.247 5.962 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.734 -11.493 6.814 1.00 0.00 C ATOM 1202 CD LYS A 86 -8.167 -11.250 8.250 1.00 0.00 C ATOM 1203 CE LYS A 86 -7.674 -12.351 9.176 1.00 0.00 C ATOM 1204 NZ LYS A 86 -8.423 -12.372 10.463 1.00 0.00 N ATOM 0 H LYS A 86 -8.014 -8.427 4.304 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.647 -10.889 4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.219 -9.477 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.914 -9.861 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.321 -12.308 6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.691 -11.808 6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.782 -10.288 8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.254 -11.193 8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.778 -13.316 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.612 -12.208 9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.057 -13.136 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.303 -11.460 10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.433 -12.534 10.274 1.00 0.00 H new ATOM 1218 N SER A 87 -9.578 -11.024 3.100 1.00 0.00 N ATOM 1219 CA SER A 87 -10.597 -11.888 2.515 1.00 0.00 C ATOM 1220 C SER A 87 -10.377 -12.047 1.014 1.00 0.00 C ATOM 1221 O SER A 87 -11.270 -12.485 0.289 1.00 0.00 O ATOM 1222 CB SER A 87 -11.992 -11.319 2.781 1.00 0.00 C ATOM 1223 OG SER A 87 -12.394 -11.558 4.118 1.00 0.00 O ATOM 0 H SER A 87 -9.641 -10.046 2.817 1.00 0.00 H new ATOM 0 HA SER A 87 -10.518 -12.870 2.982 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.995 -10.247 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.709 -11.771 2.096 1.00 0.00 H new ATOM 0 HG SER A 87 -13.288 -11.183 4.263 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.182 -11.688 0.556 1.00 0.00 N ATOM 1230 CA GLN A 88 -8.845 -11.790 -0.859 1.00 0.00 C ATOM 1231 C GLN A 88 -7.443 -12.361 -1.045 1.00 0.00 C ATOM 1232 O GLN A 88 -6.464 -11.812 -0.537 1.00 0.00 O ATOM 1233 CB GLN A 88 -8.943 -10.419 -1.529 1.00 0.00 C ATOM 1234 CG GLN A 88 -7.697 -9.565 -1.351 1.00 0.00 C ATOM 1235 CD GLN A 88 -7.889 -8.144 -1.843 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -7.067 -7.619 -2.594 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -8.979 -7.513 -1.422 1.00 0.00 N ATOM 0 H GLN A 88 -8.432 -11.324 1.144 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.559 -12.467 -1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.130 -10.557 -2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.801 -9.885 -1.121 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.421 -9.546 -0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.867 -10.023 -1.889 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.634 -7.986 -0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.161 -6.555 -1.721 1.00 0.00 H new ATOM 1246 N THR A 89 -7.352 -13.468 -1.776 1.00 0.00 N ATOM 1247 CA THR A 89 -6.070 -14.115 -2.027 1.00 0.00 C ATOM 1248 C THR A 89 -5.296 -13.393 -3.123 1.00 0.00 C ATOM 1249 O THR A 89 -4.281 -13.891 -3.611 1.00 0.00 O ATOM 1250 CB THR A 89 -6.255 -15.590 -2.431 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.052 -15.677 -3.617 1.00 0.00 O ATOM 1252 CG2 THR A 89 -6.916 -16.379 -1.311 1.00 0.00 C ATOM 0 H THR A 89 -8.151 -13.935 -2.205 1.00 0.00 H new ATOM 0 HA THR A 89 -5.505 -14.069 -1.096 1.00 0.00 H new ATOM 0 HB THR A 89 -5.271 -16.017 -2.623 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.163 -16.618 -3.868 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.036 -17.418 -1.619 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.292 -16.335 -0.418 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.894 -15.950 -1.092 1.00 0.00 H new ATOM 1260 N SER A 90 -5.780 -12.216 -3.507 1.00 0.00 N ATOM 1261 CA SER A 90 -5.135 -11.426 -4.549 1.00 0.00 C ATOM 1262 C SER A 90 -5.040 -9.959 -4.139 1.00 0.00 C ATOM 1263 O SER A 90 -6.054 -9.274 -4.003 1.00 0.00 O ATOM 1264 CB SER A 90 -5.905 -11.551 -5.864 1.00 0.00 C ATOM 1265 OG SER A 90 -7.303 -11.583 -5.636 1.00 0.00 O ATOM 0 H SER A 90 -6.617 -11.788 -3.112 1.00 0.00 H new ATOM 0 HA SER A 90 -4.125 -11.812 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.659 -10.712 -6.514 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.597 -12.458 -6.384 1.00 0.00 H new ATOM 0 HG SER A 90 -7.772 -11.662 -6.493 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.815 -9.484 -3.943 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.586 -8.098 -3.549 1.00 0.00 C ATOM 1273 C VAL A 91 -2.518 -7.448 -4.422 1.00 0.00 C ATOM 1274 O VAL A 91 -1.366 -7.883 -4.440 1.00 0.00 O ATOM 1275 CB VAL A 91 -3.159 -7.997 -2.073 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.612 -6.611 -1.769 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -4.326 -8.332 -1.157 1.00 0.00 C ATOM 0 H VAL A 91 -2.965 -10.038 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.531 -7.571 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.365 -8.722 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.315 -6.559 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.746 -6.415 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.382 -5.865 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.006 -8.256 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.143 -7.633 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.666 -9.348 -1.358 1.00 0.00 H new ATOM 1287 N THR A 92 -2.908 -6.403 -5.145 1.00 0.00 N ATOM 1288 CA THR A 92 -1.984 -5.693 -6.021 1.00 0.00 C ATOM 1289 C THR A 92 -1.596 -4.342 -5.430 1.00 0.00 C ATOM 1290 O THR A 92 -2.433 -3.450 -5.291 1.00 0.00 O ATOM 1291 CB THR A 92 -2.593 -5.473 -7.419 1.00 0.00 C ATOM 1292 OG1 THR A 92 -2.971 -6.730 -7.991 1.00 0.00 O ATOM 1293 CG2 THR A 92 -1.603 -4.770 -8.335 1.00 0.00 C ATOM 0 H THR A 92 -3.857 -6.030 -5.141 1.00 0.00 H new ATOM 0 HA THR A 92 -1.094 -6.315 -6.114 1.00 0.00 H new ATOM 0 HB THR A 92 -3.476 -4.843 -7.313 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.627 -6.581 -8.704 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.055 -4.625 -9.316 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.339 -3.801 -7.911 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.705 -5.379 -8.435 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.321 -4.198 -5.085 1.00 0.00 N ATOM 1302 CA LEU A 93 0.180 -2.955 -4.509 1.00 0.00 C ATOM 1303 C LEU A 93 0.590 -1.974 -5.604 1.00 0.00 C ATOM 1304 O LEU A 93 1.287 -2.341 -6.550 1.00 0.00 O ATOM 1305 CB LEU A 93 1.370 -3.237 -3.590 1.00 0.00 C ATOM 1306 CG LEU A 93 1.082 -4.111 -2.369 1.00 0.00 C ATOM 1307 CD1 LEU A 93 2.317 -4.224 -1.490 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.090 -3.550 -1.576 1.00 0.00 C ATOM 0 H LEU A 93 0.384 -4.927 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.623 -2.505 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.152 -3.716 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.770 -2.284 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 93 0.816 -5.110 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.093 -4.850 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.130 -4.672 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.615 -3.232 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.281 -4.185 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.148 -2.541 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.977 -3.522 -2.208 1.00 0.00 H new ATOM 1320 N SER A 94 0.153 -0.726 -5.467 1.00 0.00 N ATOM 1321 CA SER A 94 0.473 0.307 -6.445 1.00 0.00 C ATOM 1322 C SER A 94 1.365 1.381 -5.828 1.00 0.00 C ATOM 1323 O SER A 94 0.916 2.178 -5.005 1.00 0.00 O ATOM 1324 CB SER A 94 -0.809 0.942 -6.986 1.00 0.00 C ATOM 1325 OG SER A 94 -0.624 1.418 -8.308 1.00 0.00 O ATOM 0 H SER A 94 -0.423 -0.406 -4.689 1.00 0.00 H new ATOM 0 HA SER A 94 1.013 -0.161 -7.268 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.616 0.210 -6.969 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.112 1.765 -6.339 1.00 0.00 H new ATOM 0 HG SER A 94 -1.458 1.818 -8.632 1.00 0.00 H new ATOM 1331 N ILE A 95 2.631 1.394 -6.234 1.00 0.00 N ATOM 1332 CA ILE A 95 3.586 2.369 -5.723 1.00 0.00 C ATOM 1333 C ILE A 95 4.361 3.027 -6.859 1.00 0.00 C ATOM 1334 O ILE A 95 4.518 2.448 -7.935 1.00 0.00 O ATOM 1335 CB ILE A 95 4.582 1.722 -4.743 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.519 0.770 -5.490 1.00 0.00 C ATOM 1337 CG2 ILE A 95 3.838 0.984 -3.641 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.782 1.435 -5.991 1.00 0.00 C ATOM 0 H ILE A 95 3.018 0.741 -6.915 1.00 0.00 H new ATOM 0 HA ILE A 95 3.010 3.127 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 95 5.182 2.509 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.789 -0.054 -4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.985 0.338 -6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.556 0.532 -2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.208 1.686 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.216 0.204 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.398 0.701 -6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.521 2.241 -6.677 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.338 1.843 -5.147 1.00 0.00 H new ATOM 1350 N VAL A 96 4.847 4.239 -6.613 1.00 0.00 N ATOM 1351 CA VAL A 96 5.610 4.975 -7.615 1.00 0.00 C ATOM 1352 C VAL A 96 7.081 4.577 -7.587 1.00 0.00 C ATOM 1353 O VAL A 96 7.665 4.391 -6.519 1.00 0.00 O ATOM 1354 CB VAL A 96 5.497 6.496 -7.401 1.00 0.00 C ATOM 1355 CG1 VAL A 96 6.274 7.245 -8.472 1.00 0.00 C ATOM 1356 CG2 VAL A 96 4.037 6.925 -7.391 1.00 0.00 C ATOM 0 H VAL A 96 4.726 4.733 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 96 5.186 4.720 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 96 5.931 6.743 -6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.182 8.318 -8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.325 6.959 -8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.872 6.996 -9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.975 8.003 -7.239 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.575 6.666 -8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.513 6.414 -6.583 1.00 0.00 H new ATOM 1366 N HIS A 97 7.676 4.448 -8.768 1.00 0.00 N ATOM 1367 CA HIS A 97 9.081 4.072 -8.880 1.00 0.00 C ATOM 1368 C HIS A 97 9.967 5.310 -8.988 1.00 0.00 C ATOM 1369 O HIS A 97 9.944 6.016 -9.997 1.00 0.00 O ATOM 1370 CB HIS A 97 9.295 3.170 -10.095 1.00 0.00 C ATOM 1371 CG HIS A 97 10.728 2.792 -10.316 1.00 0.00 C ATOM 1372 ND1 HIS A 97 11.225 2.413 -11.545 1.00 0.00 N ATOM 1373 CD2 HIS A 97 11.772 2.737 -9.456 1.00 0.00 C ATOM 1374 CE1 HIS A 97 12.513 2.140 -11.431 1.00 0.00 C ATOM 1375 NE2 HIS A 97 12.869 2.330 -10.173 1.00 0.00 N ATOM 0 H HIS A 97 7.207 4.598 -9.661 1.00 0.00 H new ATOM 0 HA HIS A 97 9.358 3.525 -7.979 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.703 2.263 -9.972 1.00 0.00 H new ATOM 0 HB3 HIS A 97 8.920 3.677 -10.984 1.00 0.00 H new ATOM 0 HD2 HIS A 97 11.746 2.970 -8.402 1.00 0.00 H new ATOM 0 HE1 HIS A 97 13.164 1.817 -12.230 1.00 0.00 H new ATOM 0 HE2 HIS A 97 13.807 2.196 -9.796 1.00 0.00 H new ATOM 1383 N CYS A 98 10.746 5.567 -7.943 1.00 0.00 N ATOM 1384 CA CYS A 98 11.638 6.721 -7.920 1.00 0.00 C ATOM 1385 C CYS A 98 13.034 6.319 -7.455 1.00 0.00 C ATOM 1386 O CYS A 98 13.205 5.441 -6.608 1.00 0.00 O ATOM 1387 CB CYS A 98 11.076 7.809 -7.005 1.00 0.00 C ATOM 1388 SG CYS A 98 9.870 8.894 -7.803 1.00 0.00 S ATOM 0 H CYS A 98 10.778 4.992 -7.101 1.00 0.00 H new ATOM 0 HA CYS A 98 11.711 7.113 -8.934 1.00 0.00 H new ATOM 0 HB2 CYS A 98 10.608 7.336 -6.141 1.00 0.00 H new ATOM 0 HB3 CYS A 98 11.901 8.414 -6.629 1.00 0.00 H new ATOM 0 HG CYS A 98 9.451 9.780 -6.949 1.00 0.00 H new ATOM 1394 N PRO A 99 14.058 6.975 -8.021 1.00 0.00 N ATOM 1395 CA PRO A 99 15.458 6.703 -7.680 1.00 0.00 C ATOM 1396 C PRO A 99 15.812 7.166 -6.271 1.00 0.00 C ATOM 1397 O PRO A 99 15.317 8.182 -5.782 1.00 0.00 O ATOM 1398 CB PRO A 99 16.240 7.509 -8.720 1.00 0.00 C ATOM 1399 CG PRO A 99 15.317 8.607 -9.120 1.00 0.00 C ATOM 1400 CD PRO A 99 13.929 8.033 -9.036 1.00 0.00 C ATOM 0 HA PRO A 99 15.680 5.636 -7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 99 17.166 7.903 -8.301 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.514 6.891 -9.575 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.424 9.467 -8.459 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.536 8.952 -10.130 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.200 8.787 -8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.601 7.632 -9.995 1.00 0.00 H new ATOM 1408 N PRO A 100 16.690 6.405 -5.600 1.00 0.00 N ATOM 1409 CA PRO A 100 17.130 6.719 -4.237 1.00 0.00 C ATOM 1410 C PRO A 100 18.017 7.959 -4.186 1.00 0.00 C ATOM 1411 O PRO A 100 18.812 8.204 -5.093 1.00 0.00 O ATOM 1412 CB PRO A 100 17.925 5.477 -3.826 1.00 0.00 C ATOM 1413 CG PRO A 100 18.395 4.886 -5.110 1.00 0.00 C ATOM 1414 CD PRO A 100 17.320 5.180 -6.120 1.00 0.00 C ATOM 0 HA PRO A 100 16.290 6.942 -3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 100 18.763 5.739 -3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 100 17.303 4.775 -3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 100 19.346 5.322 -5.415 1.00 0.00 H new ATOM 0 HG3 PRO A 100 18.554 3.812 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 100 17.735 5.333 -7.116 1.00 0.00 H new ATOM 0 HD3 PRO A 100 16.605 4.361 -6.196 1.00 0.00 H new ATOM 1422 N VAL A 101 17.875 8.738 -3.119 1.00 0.00 N ATOM 1423 CA VAL A 101 18.663 9.952 -2.948 1.00 0.00 C ATOM 1424 C VAL A 101 20.022 9.643 -2.330 1.00 0.00 C ATOM 1425 O VAL A 101 20.365 8.481 -2.109 1.00 0.00 O ATOM 1426 CB VAL A 101 17.931 10.978 -2.063 1.00 0.00 C ATOM 1427 CG1 VAL A 101 18.865 12.115 -1.677 1.00 0.00 C ATOM 1428 CG2 VAL A 101 16.697 11.511 -2.776 1.00 0.00 C ATOM 0 H VAL A 101 17.221 8.550 -2.359 1.00 0.00 H new ATOM 0 HA VAL A 101 18.806 10.377 -3.941 1.00 0.00 H new ATOM 0 HB VAL A 101 17.609 10.479 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 101 18.329 12.830 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.715 11.716 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 101 19.220 12.616 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.192 12.235 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 101 16.995 11.994 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 101 16.019 10.686 -2.996 1.00 0.00 H new TER 1438 VAL A 101