USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 757 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 12 LYS NZ :NH3+ -154:sc= 2.36 (180deg=0.49) USER MOD Set 1.2: A 30 ASN : amide:sc= 1.03 K(o=3.4,f=-7.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 160:sc= -0.162 (180deg=-0.714) USER MOD Single : A 9 ASN :FLIP amide:sc=-0.00518 F(o=-1.3,f=-0.0052) USER MOD Single : A 15 LYS NZ :NH3+ -174:sc=-0.00081 (180deg=-0.0384) USER MOD Single : A 18 THR OG1 : rot 77:sc= 1.15 USER MOD Single : A 20 SER OG : rot 172:sc= -0.884 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 41 HIS : no HD1:sc= -0.0944 X(o=-0.094,f=0.012) USER MOD Single : A 51 HIS : no HE2:sc= -0.511 X(o=-0.51,f=-0.66) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 72:sc= 1.06 USER MOD Single : A 61 SER OG : rot 89:sc= 0.139 USER MOD Single : A 63 MET CE :methyl 159:sc= -0.163 (180deg=-0.712) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 74:sc= 1.27 USER MOD Single : A 81 GLN : amide:sc= -2.77! C(o=-2.8!,f=-7.4!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot -86:sc= 0.652 USER MOD Single : A 86 MET CE :methyl -159:sc= -0.248 (180deg=-0.992) USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= -0.0324 (180deg=-0.305) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0738 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.257 24.445 8.301 1.00 0.00 N ATOM 2 CA MET A 1 -6.227 25.027 9.254 1.00 0.00 C ATOM 3 C MET A 1 -7.044 23.924 9.908 1.00 0.00 C ATOM 4 O MET A 1 -7.821 23.238 9.243 1.00 0.00 O ATOM 5 CB MET A 1 -7.158 26.011 8.542 1.00 0.00 C ATOM 6 CG MET A 1 -8.056 26.788 9.491 1.00 0.00 C ATOM 7 SD MET A 1 -9.123 27.965 8.640 1.00 0.00 S ATOM 8 CE MET A 1 -9.822 28.846 10.035 1.00 0.00 C ATOM 0 H1 MET A 1 -4.704 25.207 7.860 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.616 23.801 8.807 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.768 23.917 7.565 1.00 0.00 H new ATOM 0 HA MET A 1 -5.673 25.565 10.023 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.558 26.714 7.964 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.779 25.464 7.833 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.673 26.088 10.055 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.438 27.322 10.213 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.508 29.613 9.675 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.363 28.147 10.673 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.022 29.315 10.607 1.00 0.00 H new ATOM 20 N GLU A 2 -6.862 23.750 11.212 1.00 0.00 N ATOM 21 CA GLU A 2 -7.551 22.695 11.939 1.00 0.00 C ATOM 22 C GLU A 2 -9.022 23.026 12.126 1.00 0.00 C ATOM 23 O GLU A 2 -9.378 23.945 12.865 1.00 0.00 O ATOM 24 CB GLU A 2 -6.906 22.460 13.305 1.00 0.00 C ATOM 25 CG GLU A 2 -5.435 22.101 13.233 1.00 0.00 C ATOM 26 CD GLU A 2 -4.891 21.628 14.564 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.780 22.455 15.494 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.566 20.429 14.682 1.00 0.00 O ATOM 0 H GLU A 2 -6.244 24.325 11.785 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.467 21.786 11.344 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.022 23.359 13.911 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.441 21.660 13.816 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.290 21.320 12.486 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.868 22.970 12.900 1.00 0.00 H new ATOM 35 N VAL A 3 -9.869 22.285 11.435 1.00 0.00 N ATOM 36 CA VAL A 3 -11.302 22.385 11.631 1.00 0.00 C ATOM 37 C VAL A 3 -11.745 21.354 12.663 1.00 0.00 C ATOM 38 O VAL A 3 -11.181 20.261 12.730 1.00 0.00 O ATOM 39 CB VAL A 3 -12.084 22.184 10.313 1.00 0.00 C ATOM 40 CG1 VAL A 3 -11.829 23.341 9.360 1.00 0.00 C ATOM 41 CG2 VAL A 3 -11.709 20.863 9.654 1.00 0.00 C ATOM 0 H VAL A 3 -9.586 21.604 10.730 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.523 23.391 11.988 1.00 0.00 H new ATOM 0 HB VAL A 3 -13.147 22.157 10.552 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.388 23.182 8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -12.152 24.273 9.824 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.764 23.398 9.134 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.273 20.745 8.729 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.642 20.857 9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.944 20.040 10.329 1.00 0.00 H new ATOM 51 N GLN A 4 -12.735 21.709 13.471 1.00 0.00 N ATOM 52 CA GLN A 4 -13.195 20.837 14.548 1.00 0.00 C ATOM 53 C GLN A 4 -13.735 19.520 13.996 1.00 0.00 C ATOM 54 O GLN A 4 -13.449 18.447 14.526 1.00 0.00 O ATOM 55 CB GLN A 4 -14.263 21.543 15.380 1.00 0.00 C ATOM 56 CG GLN A 4 -13.783 22.852 15.988 1.00 0.00 C ATOM 57 CD GLN A 4 -14.771 23.447 16.969 1.00 0.00 C ATOM 58 OE1 GLN A 4 -15.979 23.256 16.853 1.00 0.00 O ATOM 59 NE2 GLN A 4 -14.261 24.185 17.942 1.00 0.00 N ATOM 0 H GLN A 4 -13.236 22.595 13.403 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.343 20.610 15.188 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -15.132 21.739 14.752 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -14.590 20.878 16.179 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.833 22.684 16.495 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -13.595 23.570 15.189 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.252 24.320 18.004 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.877 24.619 18.630 1.00 0.00 H new ATOM 68 N SER A 5 -14.504 19.609 12.924 1.00 0.00 N ATOM 69 CA SER A 5 -15.010 18.430 12.254 1.00 0.00 C ATOM 70 C SER A 5 -14.587 18.466 10.789 1.00 0.00 C ATOM 71 O SER A 5 -14.807 19.461 10.097 1.00 0.00 O ATOM 72 CB SER A 5 -16.534 18.362 12.384 1.00 0.00 C ATOM 73 OG SER A 5 -17.033 17.113 11.938 1.00 0.00 O ATOM 0 H SER A 5 -14.791 20.491 12.500 1.00 0.00 H new ATOM 0 HA SER A 5 -14.595 17.536 12.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.820 18.520 13.424 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.987 19.165 11.803 1.00 0.00 H new ATOM 0 HG SER A 5 -18.008 17.097 12.034 1.00 0.00 H new ATOM 79 N MET A 6 -13.955 17.396 10.331 1.00 0.00 N ATOM 80 CA MET A 6 -13.436 17.346 8.972 1.00 0.00 C ATOM 81 C MET A 6 -14.411 16.635 8.046 1.00 0.00 C ATOM 82 O MET A 6 -15.099 15.699 8.454 1.00 0.00 O ATOM 83 CB MET A 6 -12.085 16.624 8.938 1.00 0.00 C ATOM 84 CG MET A 6 -11.001 17.300 9.764 1.00 0.00 C ATOM 85 SD MET A 6 -9.426 16.422 9.693 1.00 0.00 S ATOM 86 CE MET A 6 -9.044 16.544 7.946 1.00 0.00 C ATOM 0 H MET A 6 -13.789 16.552 10.879 1.00 0.00 H new ATOM 0 HA MET A 6 -13.305 18.372 8.629 1.00 0.00 H new ATOM 0 HB2 MET A 6 -12.220 15.605 9.300 1.00 0.00 H new ATOM 0 HB3 MET A 6 -11.748 16.553 7.904 1.00 0.00 H new ATOM 0 HG2 MET A 6 -10.860 18.320 9.407 1.00 0.00 H new ATOM 0 HG3 MET A 6 -11.329 17.368 10.801 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.977 16.379 7.794 1.00 0.00 H new ATOM 0 HE2 MET A 6 -9.609 15.791 7.397 1.00 0.00 H new ATOM 0 HE3 MET A 6 -9.313 17.536 7.583 1.00 0.00 H new ATOM 96 N LEU A 7 -14.471 17.087 6.799 1.00 0.00 N ATOM 97 CA LEU A 7 -15.276 16.420 5.786 1.00 0.00 C ATOM 98 C LEU A 7 -14.612 15.104 5.393 1.00 0.00 C ATOM 99 O LEU A 7 -15.281 14.105 5.132 1.00 0.00 O ATOM 100 CB LEU A 7 -15.451 17.315 4.556 1.00 0.00 C ATOM 101 CG LEU A 7 -16.333 16.732 3.449 1.00 0.00 C ATOM 102 CD1 LEU A 7 -17.754 16.516 3.950 1.00 0.00 C ATOM 103 CD2 LEU A 7 -16.327 17.641 2.232 1.00 0.00 C ATOM 0 H LEU A 7 -13.972 17.912 6.466 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.264 16.216 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.877 18.266 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.467 17.530 4.140 1.00 0.00 H new ATOM 0 HG LEU A 7 -15.924 15.764 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.364 16.101 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -17.742 15.823 4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.176 17.469 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -16.959 17.212 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.710 18.623 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -15.308 17.741 1.858 1.00 0.00 H new ATOM 115 N LEU A 8 -13.286 15.117 5.351 1.00 0.00 N ATOM 116 CA LEU A 8 -12.520 13.907 5.109 1.00 0.00 C ATOM 117 C LEU A 8 -12.302 13.182 6.428 1.00 0.00 C ATOM 118 O LEU A 8 -11.723 13.736 7.364 1.00 0.00 O ATOM 119 CB LEU A 8 -11.177 14.232 4.448 1.00 0.00 C ATOM 120 CG LEU A 8 -11.276 14.954 3.101 1.00 0.00 C ATOM 121 CD1 LEU A 8 -9.894 15.168 2.509 1.00 0.00 C ATOM 122 CD2 LEU A 8 -12.158 14.173 2.137 1.00 0.00 C ATOM 0 H LEU A 8 -12.720 15.955 5.482 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.077 13.264 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.593 14.848 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.625 13.303 4.305 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.733 15.930 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.984 15.682 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.296 15.772 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.409 14.203 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.216 14.703 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.733 13.183 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.158 14.074 2.558 1.00 0.00 H new ATOM 134 N ASN A 9 -12.782 11.957 6.504 1.00 0.00 N ATOM 135 CA ASN A 9 -12.767 11.212 7.750 1.00 0.00 C ATOM 136 C ASN A 9 -11.644 10.190 7.757 1.00 0.00 C ATOM 137 O ASN A 9 -11.070 9.873 6.714 1.00 0.00 O ATOM 138 CB ASN A 9 -14.111 10.509 7.963 1.00 0.00 C ATOM 139 CG ASN A 9 -15.270 11.480 8.115 1.00 0.00 C ATOM 140 OD1 ASN A 9 -14.994 12.659 8.653 1.00 0.00 O flip ATOM 141 ND2 ASN A 9 -16.406 11.172 7.755 1.00 0.00 N flip ATOM 0 H ASN A 9 -13.189 11.454 5.716 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.598 11.917 8.564 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.307 9.847 7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -14.050 9.882 8.853 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.580 10.254 7.345 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.174 11.834 7.867 1.00 0.00 H new ATOM 148 N ASP A 10 -11.324 9.692 8.943 1.00 0.00 N ATOM 149 CA ASP A 10 -10.335 8.639 9.092 1.00 0.00 C ATOM 150 C ASP A 10 -10.879 7.348 8.517 1.00 0.00 C ATOM 151 O ASP A 10 -11.691 6.667 9.147 1.00 0.00 O ATOM 152 CB ASP A 10 -9.966 8.439 10.565 1.00 0.00 C ATOM 153 CG ASP A 10 -9.136 9.577 11.122 1.00 0.00 C ATOM 154 OD1 ASP A 10 -9.724 10.580 11.590 1.00 0.00 O ATOM 155 OD2 ASP A 10 -7.893 9.468 11.101 1.00 0.00 O ATOM 0 H ASP A 10 -11.739 10.004 9.821 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.434 8.930 8.552 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.878 8.339 11.153 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.413 7.506 10.673 1.00 0.00 H new ATOM 160 N VAL A 11 -10.449 7.022 7.312 1.00 0.00 N ATOM 161 CA VAL A 11 -10.968 5.869 6.615 1.00 0.00 C ATOM 162 C VAL A 11 -10.146 4.644 6.958 1.00 0.00 C ATOM 163 O VAL A 11 -9.011 4.488 6.505 1.00 0.00 O ATOM 164 CB VAL A 11 -10.981 6.076 5.087 1.00 0.00 C ATOM 165 CG1 VAL A 11 -11.620 4.887 4.386 1.00 0.00 C ATOM 166 CG2 VAL A 11 -11.715 7.359 4.730 1.00 0.00 C ATOM 0 H VAL A 11 -9.739 7.544 6.798 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.999 5.726 6.940 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.949 6.159 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.618 5.055 3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.054 3.984 4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.647 4.769 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.715 7.489 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.743 7.302 5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.214 8.207 5.198 1.00 0.00 H new ATOM 176 N LYS A 12 -10.712 3.801 7.796 1.00 0.00 N ATOM 177 CA LYS A 12 -10.080 2.554 8.151 1.00 0.00 C ATOM 178 C LYS A 12 -10.506 1.478 7.169 1.00 0.00 C ATOM 179 O LYS A 12 -11.546 1.602 6.516 1.00 0.00 O ATOM 180 CB LYS A 12 -10.456 2.145 9.580 1.00 0.00 C ATOM 181 CG LYS A 12 -9.737 2.931 10.665 1.00 0.00 C ATOM 182 CD LYS A 12 -8.271 2.543 10.742 1.00 0.00 C ATOM 183 CE LYS A 12 -7.564 3.216 11.907 1.00 0.00 C ATOM 184 NZ LYS A 12 -6.160 2.747 12.047 1.00 0.00 N ATOM 0 H LYS A 12 -11.614 3.961 8.245 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.998 2.679 8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.531 2.269 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.239 1.085 9.711 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.823 3.999 10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.215 2.749 11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.187 1.461 10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.775 2.815 9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.574 4.296 11.763 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.109 3.013 12.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.855 2.854 13.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.099 1.746 11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.542 3.313 11.431 1.00 0.00 H new ATOM 198 N TRP A 13 -9.709 0.433 7.057 1.00 0.00 N ATOM 199 CA TRP A 13 -10.026 -0.669 6.173 1.00 0.00 C ATOM 200 C TRP A 13 -10.872 -1.699 6.901 1.00 0.00 C ATOM 201 O TRP A 13 -11.368 -1.442 7.999 1.00 0.00 O ATOM 202 CB TRP A 13 -8.748 -1.323 5.643 1.00 0.00 C ATOM 203 CG TRP A 13 -8.471 -0.995 4.212 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.334 -1.133 3.167 1.00 0.00 C ATOM 205 CD2 TRP A 13 -7.247 -0.495 3.662 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.728 -0.741 2.002 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.446 -0.345 2.276 1.00 0.00 C ATOM 208 CE3 TRP A 13 -6.007 -0.154 4.203 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -6.450 0.128 1.427 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -5.017 0.316 3.360 1.00 0.00 C ATOM 211 CH2 TRP A 13 -5.245 0.454 1.985 1.00 0.00 C ATOM 0 H TRP A 13 -8.834 0.325 7.570 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.591 -0.277 5.327 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.903 -1.003 6.253 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.828 -2.405 5.753 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.347 -1.498 3.245 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.162 -0.744 1.079 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.824 -0.255 5.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.622 0.234 0.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -4.053 0.581 3.768 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.453 0.826 1.352 1.00 0.00 H new ATOM 222 N GLU A 14 -11.048 -2.853 6.274 1.00 0.00 N ATOM 223 CA GLU A 14 -11.743 -3.958 6.911 1.00 0.00 C ATOM 224 C GLU A 14 -10.967 -4.412 8.141 1.00 0.00 C ATOM 225 O GLU A 14 -11.496 -4.411 9.254 1.00 0.00 O ATOM 226 CB GLU A 14 -11.919 -5.115 5.926 1.00 0.00 C ATOM 227 CG GLU A 14 -12.595 -6.334 6.529 1.00 0.00 C ATOM 228 CD GLU A 14 -12.965 -7.360 5.484 1.00 0.00 C ATOM 229 OE1 GLU A 14 -12.067 -8.081 5.011 1.00 0.00 O ATOM 230 OE2 GLU A 14 -14.161 -7.440 5.128 1.00 0.00 O ATOM 0 H GLU A 14 -10.720 -3.047 5.328 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.733 -3.625 7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.505 -4.769 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.941 -5.406 5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.930 -6.790 7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.493 -6.022 7.063 1.00 0.00 H new ATOM 237 N LYS A 15 -9.708 -4.787 7.929 1.00 0.00 N ATOM 238 CA LYS A 15 -8.811 -5.154 9.020 1.00 0.00 C ATOM 239 C LYS A 15 -7.417 -5.507 8.486 1.00 0.00 C ATOM 240 O LYS A 15 -6.441 -4.871 8.865 1.00 0.00 O ATOM 241 CB LYS A 15 -9.364 -6.334 9.841 1.00 0.00 C ATOM 242 CG LYS A 15 -9.219 -6.171 11.353 1.00 0.00 C ATOM 243 CD LYS A 15 -7.787 -5.858 11.776 1.00 0.00 C ATOM 244 CE LYS A 15 -6.810 -6.952 11.367 1.00 0.00 C ATOM 245 NZ LYS A 15 -7.100 -8.250 12.028 1.00 0.00 N ATOM 0 H LYS A 15 -9.284 -4.845 7.003 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.735 -4.286 9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.419 -6.465 9.601 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.852 -7.246 9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.877 -5.371 11.693 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.548 -7.086 11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.478 -4.913 11.330 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.751 -5.727 12.858 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.848 -7.082 10.285 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.796 -6.640 11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.350 -8.932 11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.139 -8.114 13.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.015 -8.614 11.692 1.00 0.00 H new ATOM 259 N PRO A 16 -7.291 -6.526 7.610 1.00 0.00 N ATOM 260 CA PRO A 16 -5.988 -7.033 7.202 1.00 0.00 C ATOM 261 C PRO A 16 -5.416 -6.359 5.953 1.00 0.00 C ATOM 262 O PRO A 16 -6.097 -6.212 4.938 1.00 0.00 O ATOM 263 CB PRO A 16 -6.289 -8.502 6.925 1.00 0.00 C ATOM 264 CG PRO A 16 -7.705 -8.530 6.438 1.00 0.00 C ATOM 265 CD PRO A 16 -8.378 -7.276 6.948 1.00 0.00 C ATOM 0 HA PRO A 16 -5.228 -6.848 7.961 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.608 -8.909 6.178 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.171 -9.104 7.826 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.737 -8.568 5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.220 -9.419 6.803 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.820 -6.702 6.134 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.182 -7.511 7.645 1.00 0.00 H new ATOM 273 N VAL A 17 -4.171 -5.918 6.064 1.00 0.00 N ATOM 274 CA VAL A 17 -3.365 -5.515 4.917 1.00 0.00 C ATOM 275 C VAL A 17 -1.936 -5.990 5.155 1.00 0.00 C ATOM 276 O VAL A 17 -1.132 -5.284 5.760 1.00 0.00 O ATOM 277 CB VAL A 17 -3.362 -3.982 4.677 1.00 0.00 C ATOM 278 CG1 VAL A 17 -2.529 -3.629 3.453 1.00 0.00 C ATOM 279 CG2 VAL A 17 -4.775 -3.444 4.517 1.00 0.00 C ATOM 0 H VAL A 17 -3.687 -5.829 6.958 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.802 -5.967 4.027 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.916 -3.514 5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.541 -2.549 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.502 -3.963 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.946 -4.121 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.738 -2.367 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.254 -3.927 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.348 -3.652 5.421 1.00 0.00 H new ATOM 289 N THR A 18 -1.647 -7.209 4.721 1.00 0.00 N ATOM 290 CA THR A 18 -0.384 -7.864 5.039 1.00 0.00 C ATOM 291 C THR A 18 0.722 -7.510 4.045 1.00 0.00 C ATOM 292 O THR A 18 0.721 -7.971 2.905 1.00 0.00 O ATOM 293 CB THR A 18 -0.571 -9.393 5.069 1.00 0.00 C ATOM 294 OG1 THR A 18 -1.767 -9.721 5.792 1.00 0.00 O ATOM 295 CG2 THR A 18 0.623 -10.075 5.726 1.00 0.00 C ATOM 0 H THR A 18 -2.275 -7.768 4.144 1.00 0.00 H new ATOM 0 HA THR A 18 -0.078 -7.504 6.021 1.00 0.00 H new ATOM 0 HB THR A 18 -0.652 -9.748 4.042 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.549 -9.542 5.229 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.466 -11.154 5.735 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.528 -9.844 5.164 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.730 -9.716 6.749 1.00 0.00 H new ATOM 303 N ILE A 19 1.661 -6.682 4.486 1.00 0.00 N ATOM 304 CA ILE A 19 2.838 -6.362 3.689 1.00 0.00 C ATOM 305 C ILE A 19 4.094 -6.930 4.353 1.00 0.00 C ATOM 306 O ILE A 19 4.567 -6.402 5.363 1.00 0.00 O ATOM 307 CB ILE A 19 3.010 -4.832 3.510 1.00 0.00 C ATOM 308 CG1 ILE A 19 1.817 -4.227 2.761 1.00 0.00 C ATOM 309 CG2 ILE A 19 4.306 -4.516 2.776 1.00 0.00 C ATOM 310 CD1 ILE A 19 1.704 -4.676 1.324 1.00 0.00 C ATOM 0 H ILE A 19 1.630 -6.219 5.394 1.00 0.00 H new ATOM 0 HA ILE A 19 2.697 -6.812 2.706 1.00 0.00 H new ATOM 0 HB ILE A 19 3.054 -4.385 4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.899 -4.491 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.898 -3.140 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.406 -3.437 2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.151 -4.900 3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.291 -4.985 1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.836 -4.205 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.604 -4.388 0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.590 -5.759 1.289 1.00 0.00 H new ATOM 322 N SER A 20 4.618 -8.016 3.803 1.00 0.00 N ATOM 323 CA SER A 20 5.823 -8.632 4.342 1.00 0.00 C ATOM 324 C SER A 20 7.069 -7.894 3.862 1.00 0.00 C ATOM 325 O SER A 20 7.513 -8.070 2.729 1.00 0.00 O ATOM 326 CB SER A 20 5.895 -10.108 3.948 1.00 0.00 C ATOM 327 OG SER A 20 4.779 -10.823 4.452 1.00 0.00 O ATOM 0 H SER A 20 4.230 -8.488 2.986 1.00 0.00 H new ATOM 0 HA SER A 20 5.781 -8.565 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.928 -10.197 2.862 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.816 -10.546 4.332 1.00 0.00 H new ATOM 0 HG SER A 20 4.778 -11.730 4.082 1.00 0.00 H new ATOM 333 N LEU A 21 7.618 -7.054 4.728 1.00 0.00 N ATOM 334 CA LEU A 21 8.799 -6.275 4.392 1.00 0.00 C ATOM 335 C LEU A 21 10.032 -7.163 4.320 1.00 0.00 C ATOM 336 O LEU A 21 10.166 -8.110 5.097 1.00 0.00 O ATOM 337 CB LEU A 21 9.031 -5.177 5.433 1.00 0.00 C ATOM 338 CG LEU A 21 7.871 -4.200 5.624 1.00 0.00 C ATOM 339 CD1 LEU A 21 8.220 -3.164 6.679 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.526 -3.524 4.309 1.00 0.00 C ATOM 0 H LEU A 21 7.263 -6.895 5.671 1.00 0.00 H new ATOM 0 HA LEU A 21 8.630 -5.821 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.248 -5.648 6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.918 -4.611 5.148 1.00 0.00 H new ATOM 0 HG LEU A 21 6.999 -4.759 5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.384 -2.476 6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.423 -3.663 7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.104 -2.609 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.698 -2.832 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.394 -2.976 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.237 -4.278 3.577 1.00 0.00 H new ATOM 352 N GLN A 22 10.938 -6.834 3.401 1.00 0.00 N ATOM 353 CA GLN A 22 12.217 -7.533 3.277 1.00 0.00 C ATOM 354 C GLN A 22 13.021 -7.414 4.573 1.00 0.00 C ATOM 355 O GLN A 22 13.938 -8.196 4.832 1.00 0.00 O ATOM 356 CB GLN A 22 13.010 -6.952 2.101 1.00 0.00 C ATOM 357 CG GLN A 22 14.394 -7.556 1.919 1.00 0.00 C ATOM 358 CD GLN A 22 15.147 -6.947 0.752 1.00 0.00 C ATOM 359 OE1 GLN A 22 14.550 -6.539 -0.240 1.00 0.00 O ATOM 360 NE2 GLN A 22 16.461 -6.865 0.873 1.00 0.00 N ATOM 0 H GLN A 22 10.808 -6.081 2.725 1.00 0.00 H new ATOM 0 HA GLN A 22 12.026 -8.590 3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.439 -7.100 1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.112 -5.876 2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.971 -7.414 2.833 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.300 -8.631 1.765 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.919 -7.216 1.714 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.017 -6.451 0.125 1.00 0.00 H new ATOM 369 N ASN A 23 12.645 -6.437 5.393 1.00 0.00 N ATOM 370 CA ASN A 23 13.270 -6.225 6.694 1.00 0.00 C ATOM 371 C ASN A 23 12.954 -7.386 7.639 1.00 0.00 C ATOM 372 O ASN A 23 13.569 -7.522 8.696 1.00 0.00 O ATOM 373 CB ASN A 23 12.782 -4.909 7.316 1.00 0.00 C ATOM 374 CG ASN A 23 13.069 -3.697 6.448 1.00 0.00 C ATOM 375 OD1 ASN A 23 14.025 -3.680 5.671 1.00 0.00 O ATOM 376 ND2 ASN A 23 12.245 -2.668 6.576 1.00 0.00 N ATOM 0 H ASN A 23 11.902 -5.773 5.176 1.00 0.00 H new ATOM 0 HA ASN A 23 14.349 -6.172 6.546 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.709 -4.975 7.494 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.259 -4.774 8.287 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.392 -1.825 6.021 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.464 -2.718 7.230 1.00 0.00 H new ATOM 383 N GLY A 24 11.993 -8.217 7.249 1.00 0.00 N ATOM 384 CA GLY A 24 11.615 -9.355 8.059 1.00 0.00 C ATOM 385 C GLY A 24 10.444 -9.048 8.966 1.00 0.00 C ATOM 386 O GLY A 24 10.449 -9.407 10.146 1.00 0.00 O ATOM 0 H GLY A 24 11.468 -8.119 6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.359 -10.192 7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.467 -9.668 8.662 1.00 0.00 H new ATOM 390 N ALA A 25 9.438 -8.382 8.418 1.00 0.00 N ATOM 391 CA ALA A 25 8.272 -7.992 9.197 1.00 0.00 C ATOM 392 C ALA A 25 7.042 -7.828 8.310 1.00 0.00 C ATOM 393 O ALA A 25 6.976 -6.912 7.489 1.00 0.00 O ATOM 394 CB ALA A 25 8.551 -6.701 9.955 1.00 0.00 C ATOM 0 H ALA A 25 9.406 -8.101 7.438 1.00 0.00 H new ATOM 0 HA ALA A 25 8.066 -8.787 9.913 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.670 -6.421 10.533 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.395 -6.850 10.628 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.787 -5.907 9.247 1.00 0.00 H new ATOM 400 N PRO A 26 6.065 -8.737 8.444 1.00 0.00 N ATOM 401 CA PRO A 26 4.766 -8.611 7.791 1.00 0.00 C ATOM 402 C PRO A 26 3.877 -7.616 8.527 1.00 0.00 C ATOM 403 O PRO A 26 3.245 -7.952 9.530 1.00 0.00 O ATOM 404 CB PRO A 26 4.168 -10.027 7.867 1.00 0.00 C ATOM 405 CG PRO A 26 5.232 -10.891 8.473 1.00 0.00 C ATOM 406 CD PRO A 26 6.147 -9.969 9.229 1.00 0.00 C ATOM 0 HA PRO A 26 4.851 -8.242 6.769 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.264 -10.037 8.475 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.890 -10.387 6.877 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.795 -11.636 9.138 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.778 -11.433 7.701 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.816 -9.819 10.257 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.165 -10.355 9.276 1.00 0.00 H new ATOM 414 N ARG A 27 3.867 -6.383 8.048 1.00 0.00 N ATOM 415 CA ARG A 27 3.082 -5.335 8.673 1.00 0.00 C ATOM 416 C ARG A 27 1.649 -5.382 8.185 1.00 0.00 C ATOM 417 O ARG A 27 1.385 -5.233 6.994 1.00 0.00 O ATOM 418 CB ARG A 27 3.691 -3.957 8.407 1.00 0.00 C ATOM 419 CG ARG A 27 4.910 -3.667 9.261 1.00 0.00 C ATOM 420 CD ARG A 27 5.393 -2.235 9.094 1.00 0.00 C ATOM 421 NE ARG A 27 6.334 -1.863 10.147 1.00 0.00 N ATOM 422 CZ ARG A 27 7.207 -0.862 10.060 1.00 0.00 C ATOM 423 NH1 ARG A 27 7.258 -0.109 8.971 1.00 0.00 N ATOM 424 NH2 ARG A 27 8.019 -0.600 11.076 1.00 0.00 N ATOM 0 H ARG A 27 4.395 -6.085 7.228 1.00 0.00 H new ATOM 0 HA ARG A 27 3.090 -5.506 9.749 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.967 -3.886 7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.937 -3.192 8.591 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.671 -3.849 10.309 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.713 -4.354 8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.871 -2.122 8.121 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.539 -1.557 9.111 1.00 0.00 H new ATOM 0 HE ARG A 27 6.321 -2.408 11.009 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.626 -0.295 8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.930 0.656 8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.974 -1.166 11.924 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.688 0.167 11.009 1.00 0.00 H new ATOM 438 N ILE A 28 0.736 -5.619 9.112 1.00 0.00 N ATOM 439 CA ILE A 28 -0.680 -5.655 8.802 1.00 0.00 C ATOM 440 C ILE A 28 -1.322 -4.312 9.131 1.00 0.00 C ATOM 441 O ILE A 28 -1.502 -3.968 10.301 1.00 0.00 O ATOM 442 CB ILE A 28 -1.400 -6.778 9.582 1.00 0.00 C ATOM 443 CG1 ILE A 28 -0.754 -8.133 9.273 1.00 0.00 C ATOM 444 CG2 ILE A 28 -2.884 -6.802 9.235 1.00 0.00 C ATOM 445 CD1 ILE A 28 -1.349 -9.287 10.056 1.00 0.00 C ATOM 0 H ILE A 28 0.955 -5.791 10.093 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.782 -5.859 7.736 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.302 -6.580 10.649 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.855 -8.339 8.207 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.313 -8.073 9.486 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.375 -7.599 9.793 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.334 -5.845 9.497 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.005 -6.980 8.166 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.841 -10.212 9.784 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.224 -9.105 11.123 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.411 -9.375 9.825 1.00 0.00 H new ATOM 457 N PHE A 29 -1.632 -3.544 8.099 1.00 0.00 N ATOM 458 CA PHE A 29 -2.264 -2.244 8.275 1.00 0.00 C ATOM 459 C PHE A 29 -3.771 -2.428 8.397 1.00 0.00 C ATOM 460 O PHE A 29 -4.339 -3.316 7.768 1.00 0.00 O ATOM 461 CB PHE A 29 -1.944 -1.326 7.091 1.00 0.00 C ATOM 462 CG PHE A 29 -0.490 -1.318 6.705 1.00 0.00 C ATOM 463 CD1 PHE A 29 0.413 -0.474 7.334 1.00 0.00 C ATOM 464 CD2 PHE A 29 -0.029 -2.162 5.709 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.749 -0.477 6.971 1.00 0.00 C ATOM 466 CE2 PHE A 29 1.301 -2.166 5.346 1.00 0.00 C ATOM 467 CZ PHE A 29 2.190 -1.327 5.975 1.00 0.00 C ATOM 0 H PHE A 29 -1.456 -3.798 7.127 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.877 -1.782 9.183 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.537 -1.638 6.231 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.250 -0.310 7.338 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.071 0.191 8.113 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.720 -2.826 5.210 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.445 0.184 7.466 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.645 -2.829 4.566 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.232 -1.332 5.691 1.00 0.00 H new ATOM 477 N ASN A 30 -4.414 -1.597 9.205 1.00 0.00 N ATOM 478 CA ASN A 30 -5.852 -1.719 9.422 1.00 0.00 C ATOM 479 C ASN A 30 -6.582 -0.469 8.950 1.00 0.00 C ATOM 480 O ASN A 30 -7.811 -0.416 8.943 1.00 0.00 O ATOM 481 CB ASN A 30 -6.163 -1.998 10.900 1.00 0.00 C ATOM 482 CG ASN A 30 -5.601 -0.945 11.841 1.00 0.00 C ATOM 483 OD1 ASN A 30 -6.261 0.046 12.154 1.00 0.00 O ATOM 484 ND2 ASN A 30 -4.378 -1.161 12.305 1.00 0.00 N ATOM 0 H ASN A 30 -3.969 -0.836 9.718 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.207 -2.565 8.833 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.243 -2.054 11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.757 -2.972 11.172 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.950 -0.493 12.946 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.865 -1.995 12.021 1.00 0.00 H new ATOM 491 N GLY A 31 -5.822 0.532 8.548 1.00 0.00 N ATOM 492 CA GLY A 31 -6.409 1.753 8.052 1.00 0.00 C ATOM 493 C GLY A 31 -5.726 2.237 6.796 1.00 0.00 C ATOM 494 O GLY A 31 -4.567 1.900 6.543 1.00 0.00 O ATOM 0 H GLY A 31 -4.802 0.520 8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.468 1.591 7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.346 2.524 8.820 1.00 0.00 H new ATOM 498 N VAL A 32 -6.436 3.037 6.019 1.00 0.00 N ATOM 499 CA VAL A 32 -5.928 3.505 4.740 1.00 0.00 C ATOM 500 C VAL A 32 -4.828 4.548 4.935 1.00 0.00 C ATOM 501 O VAL A 32 -3.885 4.631 4.145 1.00 0.00 O ATOM 502 CB VAL A 32 -7.059 4.101 3.876 1.00 0.00 C ATOM 503 CG1 VAL A 32 -6.534 4.514 2.515 1.00 0.00 C ATOM 504 CG2 VAL A 32 -8.205 3.111 3.725 1.00 0.00 C ATOM 0 H VAL A 32 -7.369 3.377 6.252 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.509 2.642 4.223 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.438 4.988 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.348 4.931 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.753 5.264 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.123 3.643 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.990 3.554 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.840 2.202 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.607 2.867 4.708 1.00 0.00 H new ATOM 514 N TYR A 33 -4.939 5.326 6.007 1.00 0.00 N ATOM 515 CA TYR A 33 -3.973 6.383 6.277 1.00 0.00 C ATOM 516 C TYR A 33 -2.607 5.788 6.605 1.00 0.00 C ATOM 517 O TYR A 33 -1.575 6.340 6.220 1.00 0.00 O ATOM 518 CB TYR A 33 -4.452 7.278 7.423 1.00 0.00 C ATOM 519 CG TYR A 33 -3.532 8.447 7.701 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.593 9.598 6.926 1.00 0.00 C ATOM 521 CD2 TYR A 33 -2.598 8.393 8.728 1.00 0.00 C ATOM 522 CE1 TYR A 33 -2.749 10.664 7.166 1.00 0.00 C ATOM 523 CE2 TYR A 33 -1.749 9.455 8.972 1.00 0.00 C ATOM 524 CZ TYR A 33 -1.827 10.587 8.189 1.00 0.00 C ATOM 525 OH TYR A 33 -0.980 11.644 8.427 1.00 0.00 O ATOM 0 H TYR A 33 -5.684 5.245 6.699 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.880 6.995 5.380 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.446 7.657 7.186 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.547 6.677 8.328 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.312 9.660 6.123 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.535 7.508 9.344 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.810 11.553 6.556 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.027 9.399 9.773 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.394 11.430 9.182 1.00 0.00 H new ATOM 535 N GLU A 34 -2.607 4.655 7.305 1.00 0.00 N ATOM 536 CA GLU A 34 -1.364 3.982 7.661 1.00 0.00 C ATOM 537 C GLU A 34 -0.612 3.546 6.410 1.00 0.00 C ATOM 538 O GLU A 34 0.608 3.676 6.333 1.00 0.00 O ATOM 539 CB GLU A 34 -1.629 2.763 8.545 1.00 0.00 C ATOM 540 CG GLU A 34 -2.221 3.102 9.901 1.00 0.00 C ATOM 541 CD GLU A 34 -3.626 2.573 10.065 1.00 0.00 C ATOM 542 OE1 GLU A 34 -3.783 1.349 10.252 1.00 0.00 O ATOM 543 OE2 GLU A 34 -4.581 3.380 10.013 1.00 0.00 O ATOM 0 H GLU A 34 -3.451 4.187 7.635 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.755 4.693 8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.307 2.088 8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.693 2.224 8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.586 2.689 10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.226 4.184 10.032 1.00 0.00 H new ATOM 550 N ALA A 35 -1.352 3.039 5.430 1.00 0.00 N ATOM 551 CA ALA A 35 -0.755 2.571 4.187 1.00 0.00 C ATOM 552 C ALA A 35 -0.139 3.728 3.408 1.00 0.00 C ATOM 553 O ALA A 35 0.972 3.616 2.892 1.00 0.00 O ATOM 554 CB ALA A 35 -1.792 1.847 3.344 1.00 0.00 C ATOM 0 H ALA A 35 -2.366 2.942 5.473 1.00 0.00 H new ATOM 0 HA ALA A 35 0.043 1.871 4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.332 1.503 2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.178 0.991 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.611 2.527 3.111 1.00 0.00 H new ATOM 560 N PHE A 36 -0.862 4.842 3.344 1.00 0.00 N ATOM 561 CA PHE A 36 -0.385 6.032 2.646 1.00 0.00 C ATOM 562 C PHE A 36 0.894 6.557 3.291 1.00 0.00 C ATOM 563 O PHE A 36 1.855 6.900 2.601 1.00 0.00 O ATOM 564 CB PHE A 36 -1.467 7.121 2.658 1.00 0.00 C ATOM 565 CG PHE A 36 -1.093 8.361 1.890 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.274 8.421 0.518 1.00 0.00 C ATOM 567 CD2 PHE A 36 -0.565 9.465 2.543 1.00 0.00 C ATOM 568 CE1 PHE A 36 -0.931 9.556 -0.190 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.219 10.603 1.838 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.402 10.648 0.471 1.00 0.00 C ATOM 0 H PHE A 36 -1.784 4.946 3.769 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.165 5.761 1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.386 6.710 2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.681 7.396 3.691 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.688 7.571 -0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.423 9.435 3.613 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.076 9.590 -1.260 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.194 11.456 2.357 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.132 11.536 -0.082 1.00 0.00 H new ATOM 580 N ASP A 37 0.897 6.602 4.617 1.00 0.00 N ATOM 581 CA ASP A 37 2.044 7.101 5.367 1.00 0.00 C ATOM 582 C ASP A 37 3.231 6.150 5.216 1.00 0.00 C ATOM 583 O ASP A 37 4.369 6.583 5.030 1.00 0.00 O ATOM 584 CB ASP A 37 1.670 7.262 6.844 1.00 0.00 C ATOM 585 CG ASP A 37 2.717 8.016 7.640 1.00 0.00 C ATOM 586 OD1 ASP A 37 2.637 9.263 7.705 1.00 0.00 O ATOM 587 OD2 ASP A 37 3.608 7.371 8.223 1.00 0.00 O ATOM 0 H ASP A 37 0.115 6.298 5.198 1.00 0.00 H new ATOM 0 HA ASP A 37 2.332 8.074 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.718 7.787 6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.525 6.276 7.286 1.00 0.00 H new ATOM 592 N PHE A 38 2.944 4.852 5.270 1.00 0.00 N ATOM 593 CA PHE A 38 3.964 3.816 5.116 1.00 0.00 C ATOM 594 C PHE A 38 4.692 3.936 3.781 1.00 0.00 C ATOM 595 O PHE A 38 5.910 3.755 3.710 1.00 0.00 O ATOM 596 CB PHE A 38 3.324 2.425 5.234 1.00 0.00 C ATOM 597 CG PHE A 38 4.171 1.312 4.678 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.327 0.907 5.326 1.00 0.00 C ATOM 599 CD2 PHE A 38 3.813 0.678 3.495 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.107 -0.107 4.809 1.00 0.00 C ATOM 601 CE2 PHE A 38 4.591 -0.335 2.975 1.00 0.00 C ATOM 602 CZ PHE A 38 5.738 -0.728 3.632 1.00 0.00 C ATOM 0 H PHE A 38 2.003 4.489 5.421 1.00 0.00 H new ATOM 0 HA PHE A 38 4.696 3.952 5.912 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.116 2.220 6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.365 2.432 4.715 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.621 1.390 6.246 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.915 0.982 2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.005 -0.415 5.324 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.302 -0.820 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.348 -1.522 3.226 1.00 0.00 H new ATOM 612 N LEU A 39 3.943 4.248 2.729 1.00 0.00 N ATOM 613 CA LEU A 39 4.498 4.318 1.381 1.00 0.00 C ATOM 614 C LEU A 39 5.599 5.367 1.272 1.00 0.00 C ATOM 615 O LEU A 39 6.500 5.243 0.446 1.00 0.00 O ATOM 616 CB LEU A 39 3.393 4.610 0.367 1.00 0.00 C ATOM 617 CG LEU A 39 2.356 3.500 0.207 1.00 0.00 C ATOM 618 CD1 LEU A 39 1.257 3.925 -0.750 1.00 0.00 C ATOM 619 CD2 LEU A 39 3.017 2.220 -0.278 1.00 0.00 C ATOM 0 H LEU A 39 2.946 4.457 2.784 1.00 0.00 H new ATOM 0 HA LEU A 39 4.943 3.348 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.881 5.525 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.852 4.801 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 39 1.906 3.310 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.529 3.120 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.762 4.816 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.690 4.145 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.263 1.440 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.495 2.400 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.768 1.901 0.445 1.00 0.00 H new ATOM 631 N GLN A 40 5.534 6.395 2.107 1.00 0.00 N ATOM 632 CA GLN A 40 6.551 7.437 2.091 1.00 0.00 C ATOM 633 C GLN A 40 7.661 7.126 3.085 1.00 0.00 C ATOM 634 O GLN A 40 8.689 7.804 3.116 1.00 0.00 O ATOM 635 CB GLN A 40 5.943 8.804 2.415 1.00 0.00 C ATOM 636 CG GLN A 40 4.928 9.290 1.396 1.00 0.00 C ATOM 637 CD GLN A 40 4.367 10.654 1.748 1.00 0.00 C ATOM 638 OE1 GLN A 40 4.254 11.009 2.924 1.00 0.00 O ATOM 639 NE2 GLN A 40 4.028 11.437 0.737 1.00 0.00 N ATOM 0 H GLN A 40 4.795 6.529 2.798 1.00 0.00 H new ATOM 0 HA GLN A 40 6.972 7.468 1.086 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.464 8.754 3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.746 9.538 2.490 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.396 9.335 0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.112 8.571 1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.136 11.107 -0.222 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.658 12.371 0.917 1.00 0.00 H new ATOM 648 N HIS A 41 7.455 6.097 3.891 1.00 0.00 N ATOM 649 CA HIS A 41 8.408 5.748 4.930 1.00 0.00 C ATOM 650 C HIS A 41 9.322 4.610 4.502 1.00 0.00 C ATOM 651 O HIS A 41 10.418 4.842 3.988 1.00 0.00 O ATOM 652 CB HIS A 41 7.690 5.376 6.229 1.00 0.00 C ATOM 653 CG HIS A 41 7.348 6.550 7.090 1.00 0.00 C ATOM 654 ND1 HIS A 41 7.806 6.685 8.381 1.00 0.00 N ATOM 655 CD2 HIS A 41 6.589 7.642 6.847 1.00 0.00 C ATOM 656 CE1 HIS A 41 7.343 7.807 8.895 1.00 0.00 C ATOM 657 NE2 HIS A 41 6.601 8.409 7.983 1.00 0.00 N ATOM 0 H HIS A 41 6.637 5.490 3.845 1.00 0.00 H new ATOM 0 HA HIS A 41 9.024 6.630 5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.774 4.838 5.985 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.320 4.692 6.798 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.069 7.868 5.928 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.537 8.172 9.893 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.117 9.298 8.104 1.00 0.00 H new ATOM 666 N GLU A 42 8.856 3.384 4.679 1.00 0.00 N ATOM 667 CA GLU A 42 9.722 2.222 4.549 1.00 0.00 C ATOM 668 C GLU A 42 9.289 1.302 3.416 1.00 0.00 C ATOM 669 O GLU A 42 9.381 0.081 3.537 1.00 0.00 O ATOM 670 CB GLU A 42 9.742 1.453 5.870 1.00 0.00 C ATOM 671 CG GLU A 42 10.306 2.261 7.025 1.00 0.00 C ATOM 672 CD GLU A 42 10.089 1.595 8.361 1.00 0.00 C ATOM 673 OE1 GLU A 42 9.044 1.857 8.992 1.00 0.00 O ATOM 674 OE2 GLU A 42 10.957 0.815 8.793 1.00 0.00 O ATOM 0 H GLU A 42 7.887 3.168 4.912 1.00 0.00 H new ATOM 0 HA GLU A 42 10.723 2.579 4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.727 1.140 6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.334 0.546 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.374 2.414 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.841 3.247 7.035 1.00 0.00 H new ATOM 681 N TRP A 43 8.826 1.879 2.312 1.00 0.00 N ATOM 682 CA TRP A 43 8.553 1.088 1.121 1.00 0.00 C ATOM 683 C TRP A 43 9.878 0.543 0.575 1.00 0.00 C ATOM 684 O TRP A 43 10.711 1.304 0.078 1.00 0.00 O ATOM 685 CB TRP A 43 7.826 1.935 0.071 1.00 0.00 C ATOM 686 CG TRP A 43 7.446 1.176 -1.167 1.00 0.00 C ATOM 687 CD1 TRP A 43 8.008 1.302 -2.402 1.00 0.00 C ATOM 688 CD2 TRP A 43 6.426 0.173 -1.291 1.00 0.00 C ATOM 689 NE1 TRP A 43 7.400 0.448 -3.289 1.00 0.00 N ATOM 690 CE2 TRP A 43 6.427 -0.255 -2.631 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.510 -0.402 -0.401 1.00 0.00 C ATOM 692 CZ2 TRP A 43 5.553 -1.233 -3.102 1.00 0.00 C ATOM 693 CZ3 TRP A 43 4.643 -1.370 -0.872 1.00 0.00 C ATOM 694 CH2 TRP A 43 4.670 -1.776 -2.211 1.00 0.00 C ATOM 0 H TRP A 43 8.635 2.877 2.218 1.00 0.00 H new ATOM 0 HA TRP A 43 7.901 0.252 1.373 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.925 2.356 0.518 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.464 2.773 -0.210 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.815 1.976 -2.648 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.635 0.353 -4.277 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.482 -0.095 0.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.573 -1.551 -4.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.932 -1.821 -0.195 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.979 -2.534 -2.547 1.00 0.00 H new ATOM 705 N PRO A 44 10.089 -0.782 0.670 1.00 0.00 N ATOM 706 CA PRO A 44 11.392 -1.409 0.421 1.00 0.00 C ATOM 707 C PRO A 44 11.655 -1.722 -1.050 1.00 0.00 C ATOM 708 O PRO A 44 12.385 -2.660 -1.373 1.00 0.00 O ATOM 709 CB PRO A 44 11.285 -2.699 1.230 1.00 0.00 C ATOM 710 CG PRO A 44 9.843 -3.073 1.149 1.00 0.00 C ATOM 711 CD PRO A 44 9.065 -1.784 1.027 1.00 0.00 C ATOM 0 HA PRO A 44 12.218 -0.754 0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.922 -3.481 0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.598 -2.547 2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.659 -3.719 0.290 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.537 -3.627 2.036 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.292 -1.855 0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.566 -1.529 1.962 1.00 0.00 H new ATOM 719 N ALA A 45 11.080 -0.926 -1.933 1.00 0.00 N ATOM 720 CA ALA A 45 11.263 -1.108 -3.361 1.00 0.00 C ATOM 721 C ALA A 45 10.973 0.189 -4.090 1.00 0.00 C ATOM 722 O ALA A 45 10.743 1.220 -3.462 1.00 0.00 O ATOM 723 CB ALA A 45 10.361 -2.219 -3.877 1.00 0.00 C ATOM 0 H ALA A 45 10.478 -0.141 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 45 12.298 -1.393 -3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.512 -2.341 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.604 -3.151 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.320 -1.961 -3.684 1.00 0.00 H new ATOM 729 N ARG A 46 10.997 0.139 -5.409 1.00 0.00 N ATOM 730 CA ARG A 46 10.636 1.289 -6.217 1.00 0.00 C ATOM 731 C ARG A 46 9.148 1.257 -6.530 1.00 0.00 C ATOM 732 O ARG A 46 8.389 0.497 -5.921 1.00 0.00 O ATOM 733 CB ARG A 46 11.438 1.303 -7.519 1.00 0.00 C ATOM 734 CG ARG A 46 12.941 1.351 -7.313 1.00 0.00 C ATOM 735 CD ARG A 46 13.679 1.343 -8.639 1.00 0.00 C ATOM 736 NE ARG A 46 15.123 1.229 -8.460 1.00 0.00 N ATOM 737 CZ ARG A 46 15.992 1.102 -9.461 1.00 0.00 C ATOM 738 NH1 ARG A 46 15.576 1.138 -10.722 1.00 0.00 N ATOM 739 NH2 ARG A 46 17.280 0.939 -9.201 1.00 0.00 N ATOM 0 H ARG A 46 11.263 -0.687 -5.944 1.00 0.00 H new ATOM 0 HA ARG A 46 10.867 2.194 -5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.188 0.414 -8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.134 2.165 -8.112 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.205 2.248 -6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 46 13.256 0.497 -6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.322 0.512 -9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.453 2.258 -9.186 1.00 0.00 H new ATOM 0 HE ARG A 46 15.490 1.248 -7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.585 1.264 -10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.247 1.040 -11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.606 0.911 -8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.947 0.842 -9.967 1.00 0.00 H new ATOM 753 N GLY A 47 8.731 2.099 -7.457 1.00 0.00 N ATOM 754 CA GLY A 47 7.354 2.102 -7.890 1.00 0.00 C ATOM 755 C GLY A 47 7.066 3.258 -8.815 1.00 0.00 C ATOM 756 O GLY A 47 6.466 3.078 -9.872 1.00 0.00 O ATOM 0 H GLY A 47 9.326 2.785 -7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.130 1.164 -8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.699 2.159 -7.021 1.00 0.00 H new ATOM 760 N ASP A 48 7.509 4.444 -8.404 1.00 0.00 N ATOM 761 CA ASP A 48 7.326 5.682 -9.165 1.00 0.00 C ATOM 762 C ASP A 48 5.851 5.939 -9.471 1.00 0.00 C ATOM 763 O ASP A 48 5.140 6.549 -8.675 1.00 0.00 O ATOM 764 CB ASP A 48 8.138 5.646 -10.462 1.00 0.00 C ATOM 765 CG ASP A 48 8.331 7.021 -11.071 1.00 0.00 C ATOM 766 OD1 ASP A 48 7.410 7.514 -11.754 1.00 0.00 O ATOM 767 OD2 ASP A 48 9.417 7.609 -10.876 1.00 0.00 O ATOM 0 H ASP A 48 8.010 4.576 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 48 7.689 6.503 -8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.113 5.201 -10.263 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.635 5.001 -11.183 1.00 0.00 H new ATOM 772 N ARG A 49 5.388 5.438 -10.608 1.00 0.00 N ATOM 773 CA ARG A 49 4.009 5.638 -11.026 1.00 0.00 C ATOM 774 C ARG A 49 3.108 4.552 -10.459 1.00 0.00 C ATOM 775 O ARG A 49 1.936 4.795 -10.181 1.00 0.00 O ATOM 776 CB ARG A 49 3.925 5.689 -12.547 1.00 0.00 C ATOM 777 CG ARG A 49 4.605 6.919 -13.114 1.00 0.00 C ATOM 778 CD ARG A 49 4.620 6.936 -14.628 1.00 0.00 C ATOM 779 NE ARG A 49 5.206 8.178 -15.132 1.00 0.00 N ATOM 780 CZ ARG A 49 5.462 8.420 -16.415 1.00 0.00 C ATOM 781 NH1 ARG A 49 5.262 7.480 -17.328 1.00 0.00 N ATOM 782 NH2 ARG A 49 5.939 9.601 -16.784 1.00 0.00 N ATOM 0 H ARG A 49 5.950 4.889 -11.258 1.00 0.00 H new ATOM 0 HA ARG A 49 3.659 6.592 -10.632 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.387 4.795 -12.965 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.879 5.680 -12.852 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.095 7.811 -12.750 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.629 6.965 -12.745 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.190 6.084 -14.999 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.603 6.829 -15.007 1.00 0.00 H new ATOM 0 HE ARG A 49 5.433 8.906 -14.455 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.910 6.564 -17.049 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.460 7.672 -18.310 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.109 10.323 -16.084 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.135 9.787 -17.767 1.00 0.00 H new ATOM 796 N ALA A 50 3.661 3.361 -10.264 1.00 0.00 N ATOM 797 CA ALA A 50 2.936 2.299 -9.580 1.00 0.00 C ATOM 798 C ALA A 50 2.844 2.635 -8.100 1.00 0.00 C ATOM 799 O ALA A 50 1.892 2.268 -7.411 1.00 0.00 O ATOM 800 CB ALA A 50 3.617 0.955 -9.789 1.00 0.00 C ATOM 0 H ALA A 50 4.601 3.108 -10.567 1.00 0.00 H new ATOM 0 HA ALA A 50 1.931 2.223 -9.996 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.057 0.178 -9.268 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.651 0.726 -10.854 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.632 0.996 -9.394 1.00 0.00 H new ATOM 806 N HIS A 51 3.845 3.367 -7.628 1.00 0.00 N ATOM 807 CA HIS A 51 3.861 3.862 -6.261 1.00 0.00 C ATOM 808 C HIS A 51 2.820 4.972 -6.115 1.00 0.00 C ATOM 809 O HIS A 51 2.109 5.043 -5.113 1.00 0.00 O ATOM 810 CB HIS A 51 5.261 4.378 -5.908 1.00 0.00 C ATOM 811 CG HIS A 51 5.453 4.702 -4.459 1.00 0.00 C ATOM 812 ND1 HIS A 51 6.058 3.843 -3.572 1.00 0.00 N ATOM 813 CD2 HIS A 51 5.135 5.808 -3.748 1.00 0.00 C ATOM 814 CE1 HIS A 51 6.105 4.407 -2.381 1.00 0.00 C ATOM 815 NE2 HIS A 51 5.553 5.602 -2.458 1.00 0.00 N ATOM 0 H HIS A 51 4.662 3.632 -8.178 1.00 0.00 H new ATOM 0 HA HIS A 51 3.613 3.054 -5.573 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.996 3.628 -6.201 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.465 5.272 -6.498 1.00 0.00 H new ATOM 0 HD1 HIS A 51 6.415 2.915 -3.800 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.642 6.691 -4.127 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.526 3.964 -1.490 1.00 0.00 H new ATOM 824 N GLU A 52 2.745 5.830 -7.131 1.00 0.00 N ATOM 825 CA GLU A 52 1.723 6.870 -7.204 1.00 0.00 C ATOM 826 C GLU A 52 0.329 6.248 -7.240 1.00 0.00 C ATOM 827 O GLU A 52 -0.591 6.743 -6.593 1.00 0.00 O ATOM 828 CB GLU A 52 1.967 7.751 -8.439 1.00 0.00 C ATOM 829 CG GLU A 52 0.788 8.624 -8.856 1.00 0.00 C ATOM 830 CD GLU A 52 0.266 9.527 -7.754 1.00 0.00 C ATOM 831 OE1 GLU A 52 1.066 9.989 -6.918 1.00 0.00 O ATOM 832 OE2 GLU A 52 -0.959 9.782 -7.728 1.00 0.00 O ATOM 0 H GLU A 52 3.388 5.823 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 52 1.785 7.496 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.824 8.395 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.237 7.108 -9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.088 9.240 -9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.023 7.981 -9.199 1.00 0.00 H new ATOM 839 N GLN A 53 0.187 5.157 -7.986 1.00 0.00 N ATOM 840 CA GLN A 53 -1.070 4.423 -8.040 1.00 0.00 C ATOM 841 C GLN A 53 -1.520 4.048 -6.630 1.00 0.00 C ATOM 842 O GLN A 53 -2.660 4.304 -6.245 1.00 0.00 O ATOM 843 CB GLN A 53 -0.913 3.165 -8.901 1.00 0.00 C ATOM 844 CG GLN A 53 -2.201 2.373 -9.081 1.00 0.00 C ATOM 845 CD GLN A 53 -2.010 1.130 -9.931 1.00 0.00 C ATOM 846 OE1 GLN A 53 -1.714 0.048 -9.421 1.00 0.00 O ATOM 847 NE2 GLN A 53 -2.182 1.272 -11.236 1.00 0.00 N ATOM 0 H GLN A 53 0.930 4.762 -8.563 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.830 5.060 -8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.536 3.453 -9.882 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.161 2.519 -8.448 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.585 2.084 -8.103 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.954 3.012 -9.543 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.427 2.184 -11.622 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.070 0.469 -11.856 1.00 0.00 H new ATOM 856 N ALA A 54 -0.602 3.477 -5.857 1.00 0.00 N ATOM 857 CA ALA A 54 -0.887 3.080 -4.482 1.00 0.00 C ATOM 858 C ALA A 54 -1.206 4.295 -3.609 1.00 0.00 C ATOM 859 O ALA A 54 -2.137 4.263 -2.802 1.00 0.00 O ATOM 860 CB ALA A 54 0.287 2.304 -3.906 1.00 0.00 C ATOM 0 H ALA A 54 0.351 3.278 -6.161 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.766 2.436 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.063 2.013 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.462 1.411 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.179 2.931 -3.919 1.00 0.00 H new ATOM 866 N LEU A 55 -0.427 5.364 -3.775 1.00 0.00 N ATOM 867 CA LEU A 55 -0.659 6.608 -3.044 1.00 0.00 C ATOM 868 C LEU A 55 -2.039 7.167 -3.363 1.00 0.00 C ATOM 869 O LEU A 55 -2.758 7.628 -2.478 1.00 0.00 O ATOM 870 CB LEU A 55 0.396 7.659 -3.406 1.00 0.00 C ATOM 871 CG LEU A 55 1.817 7.379 -2.915 1.00 0.00 C ATOM 872 CD1 LEU A 55 2.778 8.412 -3.478 1.00 0.00 C ATOM 873 CD2 LEU A 55 1.870 7.385 -1.395 1.00 0.00 C ATOM 0 H LEU A 55 0.371 5.393 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.592 6.381 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.421 7.761 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.076 8.620 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 55 2.115 6.391 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.787 8.203 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.761 8.369 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.476 9.407 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.889 7.184 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.554 8.360 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.204 6.615 -1.005 1.00 0.00 H new ATOM 885 N ARG A 56 -2.391 7.124 -4.638 1.00 0.00 N ATOM 886 CA ARG A 56 -3.654 7.663 -5.115 1.00 0.00 C ATOM 887 C ARG A 56 -4.826 6.861 -4.564 1.00 0.00 C ATOM 888 O ARG A 56 -5.850 7.429 -4.191 1.00 0.00 O ATOM 889 CB ARG A 56 -3.676 7.653 -6.641 1.00 0.00 C ATOM 890 CG ARG A 56 -4.809 8.458 -7.248 1.00 0.00 C ATOM 891 CD ARG A 56 -4.688 8.498 -8.759 1.00 0.00 C ATOM 892 NE ARG A 56 -3.365 8.958 -9.181 1.00 0.00 N ATOM 893 CZ ARG A 56 -2.981 9.066 -10.451 1.00 0.00 C ATOM 894 NH1 ARG A 56 -3.819 8.756 -11.432 1.00 0.00 N ATOM 895 NH2 ARG A 56 -1.753 9.486 -10.733 1.00 0.00 N ATOM 0 H ARG A 56 -1.810 6.715 -5.370 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.751 8.690 -4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.728 8.044 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.751 6.622 -6.986 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.766 8.018 -6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.795 9.473 -6.850 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.875 7.504 -9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.452 9.159 -9.168 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.694 9.212 -8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.762 8.433 -11.214 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.520 8.840 -12.404 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.109 9.724 -9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.453 9.571 -11.704 1.00 0.00 H new ATOM 909 N LEU A 57 -4.663 5.542 -4.511 1.00 0.00 N ATOM 910 CA LEU A 57 -5.676 4.661 -3.936 1.00 0.00 C ATOM 911 C LEU A 57 -5.992 5.075 -2.506 1.00 0.00 C ATOM 912 O LEU A 57 -7.150 5.292 -2.150 1.00 0.00 O ATOM 913 CB LEU A 57 -5.190 3.212 -3.948 1.00 0.00 C ATOM 914 CG LEU A 57 -4.938 2.622 -5.332 1.00 0.00 C ATOM 915 CD1 LEU A 57 -4.220 1.290 -5.206 1.00 0.00 C ATOM 916 CD2 LEU A 57 -6.249 2.459 -6.088 1.00 0.00 C ATOM 0 H LEU A 57 -3.836 5.058 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.579 4.743 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.267 3.150 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.928 2.594 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.304 3.306 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.044 0.876 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.266 1.437 -4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.834 0.599 -4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.051 2.037 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.908 1.791 -5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.728 3.432 -6.200 1.00 0.00 H new ATOM 928 N CYS A 58 -4.946 5.198 -1.701 1.00 0.00 N ATOM 929 CA CYS A 58 -5.088 5.588 -0.307 1.00 0.00 C ATOM 930 C CYS A 58 -5.655 7.002 -0.200 1.00 0.00 C ATOM 931 O CYS A 58 -6.511 7.285 0.641 1.00 0.00 O ATOM 932 CB CYS A 58 -3.728 5.510 0.389 1.00 0.00 C ATOM 933 SG CYS A 58 -2.882 3.924 0.174 1.00 0.00 S ATOM 0 H CYS A 58 -3.983 5.032 -1.993 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.782 4.904 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.089 6.306 0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.865 5.696 1.454 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.459 3.821 -1.051 1.00 0.00 H new ATOM 939 N ARG A 59 -5.186 7.874 -1.081 1.00 0.00 N ATOM 940 CA ARG A 59 -5.600 9.269 -1.097 1.00 0.00 C ATOM 941 C ARG A 59 -7.091 9.387 -1.406 1.00 0.00 C ATOM 942 O ARG A 59 -7.838 10.038 -0.677 1.00 0.00 O ATOM 943 CB ARG A 59 -4.789 10.022 -2.150 1.00 0.00 C ATOM 944 CG ARG A 59 -4.626 11.508 -1.881 1.00 0.00 C ATOM 945 CD ARG A 59 -3.853 12.175 -3.007 1.00 0.00 C ATOM 946 NE ARG A 59 -2.693 11.380 -3.419 1.00 0.00 N ATOM 947 CZ ARG A 59 -2.195 11.369 -4.657 1.00 0.00 C ATOM 948 NH1 ARG A 59 -2.692 12.182 -5.583 1.00 0.00 N ATOM 949 NH2 ARG A 59 -1.187 10.559 -4.964 1.00 0.00 N ATOM 0 H ARG A 59 -4.508 7.634 -1.804 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.420 9.703 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.800 9.569 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.269 9.892 -3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.606 11.974 -1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.103 11.657 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.513 12.324 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.521 13.162 -2.685 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.238 10.799 -2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.456 12.816 -5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.310 12.172 -6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.792 9.944 -4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.808 10.553 -5.911 1.00 0.00 H new ATOM 963 N ALA A 60 -7.517 8.732 -2.483 1.00 0.00 N ATOM 964 CA ALA A 60 -8.902 8.800 -2.932 1.00 0.00 C ATOM 965 C ALA A 60 -9.843 8.125 -1.939 1.00 0.00 C ATOM 966 O ALA A 60 -10.992 8.538 -1.786 1.00 0.00 O ATOM 967 CB ALA A 60 -9.045 8.175 -4.313 1.00 0.00 C ATOM 0 H ALA A 60 -6.917 8.145 -3.063 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.182 9.852 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.085 8.234 -4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.416 8.712 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.736 7.130 -4.273 1.00 0.00 H new ATOM 973 N SER A 61 -9.360 7.090 -1.265 1.00 0.00 N ATOM 974 CA SER A 61 -10.154 6.419 -0.243 1.00 0.00 C ATOM 975 C SER A 61 -10.391 7.354 0.939 1.00 0.00 C ATOM 976 O SER A 61 -11.499 7.434 1.462 1.00 0.00 O ATOM 977 CB SER A 61 -9.468 5.132 0.215 1.00 0.00 C ATOM 978 OG SER A 61 -9.265 4.248 -0.875 1.00 0.00 O ATOM 0 H SER A 61 -8.429 6.698 -1.405 1.00 0.00 H new ATOM 0 HA SER A 61 -11.119 6.153 -0.673 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.510 5.371 0.677 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.076 4.643 0.976 1.00 0.00 H new ATOM 0 HG SER A 61 -8.399 4.437 -1.293 1.00 0.00 H new ATOM 984 N LEU A 62 -9.352 8.089 1.332 1.00 0.00 N ATOM 985 CA LEU A 62 -9.477 9.081 2.397 1.00 0.00 C ATOM 986 C LEU A 62 -10.366 10.238 1.953 1.00 0.00 C ATOM 987 O LEU A 62 -10.993 10.903 2.774 1.00 0.00 O ATOM 988 CB LEU A 62 -8.098 9.600 2.816 1.00 0.00 C ATOM 989 CG LEU A 62 -7.254 8.620 3.634 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.851 9.168 3.838 1.00 0.00 C ATOM 991 CD2 LEU A 62 -7.916 8.341 4.978 1.00 0.00 C ATOM 0 H LEU A 62 -8.417 8.016 0.930 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.941 8.599 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.542 9.872 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.232 10.512 3.397 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.182 7.683 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.265 8.458 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.376 9.321 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.905 10.118 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.303 7.642 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.016 9.273 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.903 7.908 4.815 1.00 0.00 H new ATOM 1003 N MET A 63 -10.423 10.468 0.645 1.00 0.00 N ATOM 1004 CA MET A 63 -11.308 11.481 0.081 1.00 0.00 C ATOM 1005 C MET A 63 -12.743 10.961 0.003 1.00 0.00 C ATOM 1006 O MET A 63 -13.669 11.712 -0.304 1.00 0.00 O ATOM 1007 CB MET A 63 -10.831 11.911 -1.310 1.00 0.00 C ATOM 1008 CG MET A 63 -9.524 12.691 -1.300 1.00 0.00 C ATOM 1009 SD MET A 63 -8.984 13.163 -2.955 1.00 0.00 S ATOM 1010 CE MET A 63 -10.359 14.187 -3.479 1.00 0.00 C ATOM 0 H MET A 63 -9.865 9.965 -0.045 1.00 0.00 H new ATOM 0 HA MET A 63 -11.284 12.349 0.740 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.709 11.024 -1.932 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.604 12.522 -1.776 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.645 13.588 -0.692 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.749 12.088 -0.827 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.037 14.842 -4.288 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.173 13.552 -3.828 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.704 14.790 -2.639 1.00 0.00 H new ATOM 1020 N GLY A 64 -12.917 9.674 0.276 1.00 0.00 N ATOM 1021 CA GLY A 64 -14.240 9.082 0.271 1.00 0.00 C ATOM 1022 C GLY A 64 -14.695 8.684 -1.119 1.00 0.00 C ATOM 1023 O GLY A 64 -15.891 8.537 -1.365 1.00 0.00 O ATOM 0 H GLY A 64 -12.161 9.027 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.243 8.203 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.953 9.790 0.694 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.747 8.515 -2.029 1.00 0.00 N ATOM 1028 CA ASP A 65 -14.069 8.143 -3.401 1.00 0.00 C ATOM 1029 C ASP A 65 -14.010 6.630 -3.571 1.00 0.00 C ATOM 1030 O ASP A 65 -14.966 6.009 -4.030 1.00 0.00 O ATOM 1031 CB ASP A 65 -13.114 8.816 -4.387 1.00 0.00 C ATOM 1032 CG ASP A 65 -13.517 8.579 -5.829 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -14.355 9.352 -6.348 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -13.009 7.623 -6.448 1.00 0.00 O ATOM 0 H ASP A 65 -12.750 8.629 -1.844 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.082 8.484 -3.613 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.088 9.888 -4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.104 8.438 -4.227 1.00 0.00 H new ATOM 1039 N VAL A 66 -12.887 6.042 -3.187 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.711 4.601 -3.288 1.00 0.00 C ATOM 1041 C VAL A 66 -13.313 3.910 -2.068 1.00 0.00 C ATOM 1042 O VAL A 66 -13.072 4.321 -0.933 1.00 0.00 O ATOM 1043 CB VAL A 66 -11.222 4.219 -3.418 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -11.051 2.713 -3.543 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -10.591 4.926 -4.605 1.00 0.00 C ATOM 0 H VAL A 66 -12.084 6.540 -2.803 1.00 0.00 H new ATOM 0 HA VAL A 66 -13.227 4.268 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.713 4.542 -2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.991 2.473 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -11.459 2.226 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.580 2.359 -4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.541 4.644 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.111 4.637 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.668 6.005 -4.469 1.00 0.00 H new ATOM 1055 N ALA A 67 -14.086 2.857 -2.310 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.811 2.162 -1.247 1.00 0.00 C ATOM 1057 C ALA A 67 -13.929 1.154 -0.504 1.00 0.00 C ATOM 1058 O ALA A 67 -14.426 0.170 0.047 1.00 0.00 O ATOM 1059 CB ALA A 67 -16.035 1.469 -1.828 1.00 0.00 C ATOM 0 H ALA A 67 -14.229 2.462 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 67 -15.124 2.909 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.572 0.952 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.690 2.210 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -15.721 0.747 -2.582 1.00 0.00 H new ATOM 1065 N GLY A 68 -12.624 1.397 -0.484 1.00 0.00 N ATOM 1066 CA GLY A 68 -11.719 0.570 0.295 1.00 0.00 C ATOM 1067 C GLY A 68 -11.302 -0.712 -0.409 1.00 0.00 C ATOM 1068 O GLY A 68 -10.108 -0.982 -0.546 1.00 0.00 O ATOM 0 H GLY A 68 -12.174 2.156 -0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.827 1.149 0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.197 0.315 1.241 1.00 0.00 H new ATOM 1072 N GLU A 69 -12.281 -1.499 -0.848 1.00 0.00 N ATOM 1073 CA GLU A 69 -12.017 -2.795 -1.476 1.00 0.00 C ATOM 1074 C GLU A 69 -11.130 -2.640 -2.706 1.00 0.00 C ATOM 1075 O GLU A 69 -10.097 -3.300 -2.826 1.00 0.00 O ATOM 1076 CB GLU A 69 -13.328 -3.465 -1.880 1.00 0.00 C ATOM 1077 CG GLU A 69 -14.322 -3.613 -0.742 1.00 0.00 C ATOM 1078 CD GLU A 69 -15.665 -4.115 -1.225 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -16.414 -3.320 -1.830 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -15.973 -5.306 -1.009 1.00 0.00 O ATOM 0 H GLU A 69 -13.271 -1.262 -0.781 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.498 -3.417 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.790 -2.885 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.109 -4.452 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.923 -4.303 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.451 -2.651 -0.246 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.542 -1.752 -3.610 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.798 -1.491 -4.840 1.00 0.00 C ATOM 1089 C ILE A 70 -9.355 -1.095 -4.530 1.00 0.00 C ATOM 1090 O ILE A 70 -8.426 -1.469 -5.249 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.465 -0.369 -5.668 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -12.936 -0.708 -5.934 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -10.720 -0.155 -6.979 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -13.690 0.381 -6.667 1.00 0.00 C ATOM 0 H ILE A 70 -12.393 -1.198 -3.512 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.802 -2.413 -5.422 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.420 0.557 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -12.988 -1.628 -6.516 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.432 -0.904 -4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.205 0.639 -7.548 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.688 0.127 -6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.733 -1.077 -7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.723 0.069 -6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.671 1.297 -6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -13.220 0.562 -7.634 1.00 0.00 H new ATOM 1106 N ALA A 71 -9.175 -0.360 -3.439 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.858 0.106 -3.043 1.00 0.00 C ATOM 1108 C ALA A 71 -6.964 -1.061 -2.643 1.00 0.00 C ATOM 1109 O ALA A 71 -5.772 -1.053 -2.928 1.00 0.00 O ATOM 1110 CB ALA A 71 -7.969 1.107 -1.905 1.00 0.00 C ATOM 0 H ALA A 71 -9.929 -0.075 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.402 0.603 -3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.973 1.446 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.565 1.961 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.449 0.633 -1.049 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.550 -2.072 -2.002 1.00 0.00 N ATOM 1117 CA ARG A 72 -6.783 -3.232 -1.551 1.00 0.00 C ATOM 1118 C ARG A 72 -6.221 -3.998 -2.737 1.00 0.00 C ATOM 1119 O ARG A 72 -5.015 -4.231 -2.823 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.636 -4.186 -0.708 1.00 0.00 C ATOM 1121 CG ARG A 72 -8.209 -3.569 0.552 1.00 0.00 C ATOM 1122 CD ARG A 72 -8.692 -4.640 1.518 1.00 0.00 C ATOM 1123 NE ARG A 72 -7.573 -5.362 2.126 1.00 0.00 N ATOM 1124 CZ ARG A 72 -7.264 -6.637 1.870 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -8.010 -7.367 1.049 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -6.217 -7.183 2.466 1.00 0.00 N ATOM 0 H ARG A 72 -8.546 -2.111 -1.785 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.969 -2.851 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.457 -4.557 -1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.029 -5.048 -0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.451 -2.954 1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.037 -2.909 0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.296 -4.180 2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.336 -5.344 0.990 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.988 -4.857 2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.831 -6.956 0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.762 -8.339 0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.654 -6.632 3.114 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.973 -8.155 2.278 1.00 0.00 H new ATOM 1140 N THR A 73 -7.104 -4.375 -3.653 1.00 0.00 N ATOM 1141 CA THR A 73 -6.729 -5.178 -4.807 1.00 0.00 C ATOM 1142 C THR A 73 -5.620 -4.513 -5.623 1.00 0.00 C ATOM 1143 O THR A 73 -4.622 -5.151 -5.970 1.00 0.00 O ATOM 1144 CB THR A 73 -7.952 -5.430 -5.705 1.00 0.00 C ATOM 1145 OG1 THR A 73 -9.019 -5.972 -4.913 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.616 -6.387 -6.841 1.00 0.00 C ATOM 0 H THR A 73 -8.094 -4.134 -3.617 1.00 0.00 H new ATOM 0 HA THR A 73 -6.350 -6.129 -4.432 1.00 0.00 H new ATOM 0 HB THR A 73 -8.259 -4.481 -6.144 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.800 -6.132 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.501 -6.545 -7.458 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.819 -5.962 -7.451 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.287 -7.341 -6.428 1.00 0.00 H new ATOM 1154 N ALA A 74 -5.784 -3.226 -5.904 1.00 0.00 N ATOM 1155 CA ALA A 74 -4.817 -2.497 -6.713 1.00 0.00 C ATOM 1156 C ALA A 74 -3.523 -2.249 -5.936 1.00 0.00 C ATOM 1157 O ALA A 74 -2.440 -2.200 -6.520 1.00 0.00 O ATOM 1158 CB ALA A 74 -5.417 -1.187 -7.206 1.00 0.00 C ATOM 0 H ALA A 74 -6.575 -2.668 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.568 -3.109 -7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.682 -0.654 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.300 -1.396 -7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.700 -0.572 -6.352 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.638 -2.108 -4.619 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.469 -1.910 -3.764 1.00 0.00 C ATOM 1166 C PHE A 75 -1.590 -3.155 -3.788 1.00 0.00 C ATOM 1167 O PHE A 75 -0.366 -3.066 -3.899 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.902 -1.596 -2.329 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.770 -1.245 -1.403 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -1.184 0.010 -1.451 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.301 -2.164 -0.480 1.00 0.00 C ATOM 1172 CE1 PHE A 75 -0.152 0.340 -0.596 1.00 0.00 C ATOM 1173 CE2 PHE A 75 -0.267 -1.840 0.378 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.309 -0.586 0.319 1.00 0.00 C ATOM 0 H PHE A 75 -4.527 -2.127 -4.120 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.897 -1.064 -4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.610 -0.767 -2.349 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.432 -2.458 -1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.539 0.738 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.748 -3.146 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.295 1.322 -0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.090 -2.566 1.093 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.118 -0.330 0.987 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.227 -4.316 -3.704 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.519 -5.589 -3.764 1.00 0.00 C ATOM 1186 C VAL A 76 -0.916 -5.793 -5.155 1.00 0.00 C ATOM 1187 O VAL A 76 0.122 -6.438 -5.308 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.452 -6.771 -3.415 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -1.701 -8.094 -3.457 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -3.082 -6.568 -2.044 1.00 0.00 C ATOM 0 H VAL A 76 -3.237 -4.403 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.719 -5.560 -3.024 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.243 -6.804 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.382 -8.907 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.298 -8.252 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.884 -8.071 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.735 -7.410 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.298 -6.502 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.664 -5.646 -2.044 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.565 -5.226 -6.167 1.00 0.00 N ATOM 1201 CA ALA A 77 -1.061 -5.292 -7.530 1.00 0.00 C ATOM 1202 C ALA A 77 0.203 -4.448 -7.679 1.00 0.00 C ATOM 1203 O ALA A 77 1.138 -4.824 -8.384 1.00 0.00 O ATOM 1204 CB ALA A 77 -2.129 -4.840 -8.517 1.00 0.00 C ATOM 0 H ALA A 77 -2.442 -4.715 -6.066 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.806 -6.328 -7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.734 -4.896 -9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.001 -5.488 -8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.417 -3.812 -8.296 1.00 0.00 H new ATOM 1210 N ALA A 78 0.232 -3.311 -6.995 1.00 0.00 N ATOM 1211 CA ALA A 78 1.404 -2.441 -7.007 1.00 0.00 C ATOM 1212 C ALA A 78 2.528 -3.037 -6.161 1.00 0.00 C ATOM 1213 O ALA A 78 3.710 -2.839 -6.448 1.00 0.00 O ATOM 1214 CB ALA A 78 1.038 -1.054 -6.501 1.00 0.00 C ATOM 0 H ALA A 78 -0.542 -2.969 -6.425 1.00 0.00 H new ATOM 0 HA ALA A 78 1.758 -2.356 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.922 -0.416 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.269 -0.624 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.660 -1.127 -5.481 1.00 0.00 H new ATOM 1220 N SER A 79 2.149 -3.794 -5.139 1.00 0.00 N ATOM 1221 CA SER A 79 3.115 -4.398 -4.225 1.00 0.00 C ATOM 1222 C SER A 79 3.897 -5.533 -4.891 1.00 0.00 C ATOM 1223 O SER A 79 4.801 -6.113 -4.288 1.00 0.00 O ATOM 1224 CB SER A 79 2.396 -4.917 -2.979 1.00 0.00 C ATOM 1225 OG SER A 79 1.722 -3.867 -2.307 1.00 0.00 O ATOM 0 H SER A 79 1.176 -4.006 -4.920 1.00 0.00 H new ATOM 0 HA SER A 79 3.832 -3.627 -3.941 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.681 -5.690 -3.263 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.117 -5.381 -2.306 1.00 0.00 H new ATOM 0 HG SER A 79 0.924 -3.612 -2.816 1.00 0.00 H new ATOM 1231 N ARG A 80 3.558 -5.839 -6.140 1.00 0.00 N ATOM 1232 CA ARG A 80 4.254 -6.880 -6.884 1.00 0.00 C ATOM 1233 C ARG A 80 5.704 -6.479 -7.140 1.00 0.00 C ATOM 1234 O ARG A 80 6.592 -7.328 -7.170 1.00 0.00 O ATOM 1235 CB ARG A 80 3.548 -7.165 -8.212 1.00 0.00 C ATOM 1236 CG ARG A 80 2.166 -7.773 -8.050 1.00 0.00 C ATOM 1237 CD ARG A 80 1.541 -8.101 -9.394 1.00 0.00 C ATOM 1238 NE ARG A 80 0.211 -8.692 -9.252 1.00 0.00 N ATOM 1239 CZ ARG A 80 -0.442 -9.300 -10.240 1.00 0.00 C ATOM 1240 NH1 ARG A 80 0.128 -9.426 -11.433 1.00 0.00 N ATOM 1241 NH2 ARG A 80 -1.661 -9.780 -10.031 1.00 0.00 N ATOM 0 H ARG A 80 2.807 -5.381 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 80 4.241 -7.788 -6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.463 -6.235 -8.775 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.165 -7.841 -8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.234 -8.679 -7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.523 -7.079 -7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.472 -7.193 -9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.188 -8.791 -9.936 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.244 -8.635 -8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.066 -9.057 -11.592 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.372 -9.892 -12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.097 -9.683 -9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.162 -10.246 -10.787 1.00 0.00 H new ATOM 1255 N GLN A 81 5.938 -5.180 -7.297 1.00 0.00 N ATOM 1256 CA GLN A 81 7.283 -4.671 -7.548 1.00 0.00 C ATOM 1257 C GLN A 81 8.162 -4.837 -6.312 1.00 0.00 C ATOM 1258 O GLN A 81 9.373 -5.022 -6.417 1.00 0.00 O ATOM 1259 CB GLN A 81 7.223 -3.204 -7.971 1.00 0.00 C ATOM 1260 CG GLN A 81 6.454 -2.983 -9.263 1.00 0.00 C ATOM 1261 CD GLN A 81 6.367 -1.522 -9.653 1.00 0.00 C ATOM 1262 OE1 GLN A 81 6.357 -0.639 -8.798 1.00 0.00 O ATOM 1263 NE2 GLN A 81 6.302 -1.258 -10.949 1.00 0.00 N ATOM 0 H GLN A 81 5.216 -4.461 -7.255 1.00 0.00 H new ATOM 0 HA GLN A 81 7.725 -5.249 -8.359 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.758 -2.622 -7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.238 -2.826 -8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.935 -3.541 -10.067 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.447 -3.386 -9.154 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.313 -2.021 -11.626 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.241 -0.292 -11.270 1.00 0.00 H new ATOM 1272 N ALA A 82 7.542 -4.784 -5.142 1.00 0.00 N ATOM 1273 CA ALA A 82 8.256 -4.992 -3.889 1.00 0.00 C ATOM 1274 C ALA A 82 8.391 -6.481 -3.594 1.00 0.00 C ATOM 1275 O ALA A 82 9.217 -6.888 -2.782 1.00 0.00 O ATOM 1276 CB ALA A 82 7.539 -4.291 -2.747 1.00 0.00 C ATOM 0 H ALA A 82 6.545 -4.599 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 82 9.254 -4.565 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.085 -4.456 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.487 -3.222 -2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.530 -4.692 -2.651 1.00 0.00 H new ATOM 1282 N HIS A 83 7.559 -7.277 -4.270 1.00 0.00 N ATOM 1283 CA HIS A 83 7.528 -8.733 -4.098 1.00 0.00 C ATOM 1284 C HIS A 83 7.031 -9.112 -2.707 1.00 0.00 C ATOM 1285 O HIS A 83 7.174 -10.252 -2.273 1.00 0.00 O ATOM 1286 CB HIS A 83 8.900 -9.363 -4.374 1.00 0.00 C ATOM 1287 CG HIS A 83 9.262 -9.390 -5.827 1.00 0.00 C ATOM 1288 ND1 HIS A 83 9.055 -10.488 -6.631 1.00 0.00 N ATOM 1289 CD2 HIS A 83 9.803 -8.439 -6.624 1.00 0.00 C ATOM 1290 CE1 HIS A 83 9.450 -10.212 -7.860 1.00 0.00 C ATOM 1291 NE2 HIS A 83 9.908 -8.974 -7.883 1.00 0.00 N ATOM 0 H HIS A 83 6.886 -6.930 -4.954 1.00 0.00 H new ATOM 0 HA HIS A 83 6.826 -9.131 -4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.663 -8.808 -3.828 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.908 -10.382 -3.986 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.097 -7.444 -6.324 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.406 -10.885 -8.704 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.279 -8.494 -8.703 1.00 0.00 H new ATOM 1300 N CYS A 84 6.401 -8.157 -2.035 1.00 0.00 N ATOM 1301 CA CYS A 84 5.835 -8.385 -0.711 1.00 0.00 C ATOM 1302 C CYS A 84 4.429 -8.965 -0.827 1.00 0.00 C ATOM 1303 O CYS A 84 3.559 -8.687 -0.001 1.00 0.00 O ATOM 1304 CB CYS A 84 5.797 -7.068 0.066 1.00 0.00 C ATOM 1305 SG CYS A 84 7.422 -6.319 0.316 1.00 0.00 S ATOM 0 H CYS A 84 6.268 -7.209 -2.389 1.00 0.00 H new ATOM 0 HA CYS A 84 6.461 -9.100 -0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 84 5.160 -6.362 -0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.335 -7.244 1.038 1.00 0.00 H new ATOM 0 HG CYS A 84 7.973 -6.824 1.380 1.00 0.00 H new ATOM 1311 N LEU A 85 4.225 -9.791 -1.844 1.00 0.00 N ATOM 1312 CA LEU A 85 2.912 -10.341 -2.133 1.00 0.00 C ATOM 1313 C LEU A 85 2.491 -11.363 -1.099 1.00 0.00 C ATOM 1314 O LEU A 85 3.124 -12.404 -0.933 1.00 0.00 O ATOM 1315 CB LEU A 85 2.877 -10.974 -3.517 1.00 0.00 C ATOM 1316 CG LEU A 85 2.995 -9.989 -4.670 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.900 -10.719 -5.997 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.919 -8.921 -4.568 1.00 0.00 C ATOM 0 H LEU A 85 4.958 -10.095 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 85 2.208 -9.509 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.689 -11.698 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.945 -11.528 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 85 3.968 -9.501 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.986 -10.002 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.706 -11.449 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.940 -11.231 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.018 -8.224 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.936 -9.391 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.030 -8.381 -3.628 1.00 0.00 H new ATOM 1330 N MET A 86 1.416 -11.044 -0.413 1.00 0.00 N ATOM 1331 CA MET A 86 0.841 -11.931 0.582 1.00 0.00 C ATOM 1332 C MET A 86 -0.669 -11.963 0.450 1.00 0.00 C ATOM 1333 O MET A 86 -1.299 -10.932 0.220 1.00 0.00 O ATOM 1334 CB MET A 86 1.211 -11.473 1.996 1.00 0.00 C ATOM 1335 CG MET A 86 2.662 -11.717 2.368 1.00 0.00 C ATOM 1336 SD MET A 86 3.063 -13.472 2.501 1.00 0.00 S ATOM 1337 CE MET A 86 1.905 -13.993 3.766 1.00 0.00 C ATOM 0 H MET A 86 0.914 -10.164 -0.527 1.00 0.00 H new ATOM 0 HA MET A 86 1.244 -12.930 0.413 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.998 -10.408 2.089 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.572 -11.989 2.712 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.307 -11.257 1.619 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.876 -11.227 3.318 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.257 -14.918 4.223 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.827 -13.218 4.529 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.926 -14.160 3.317 1.00 0.00 H new ATOM 1347 N GLU A 87 -1.244 -13.148 0.569 1.00 0.00 N ATOM 1348 CA GLU A 87 -2.686 -13.275 0.667 1.00 0.00 C ATOM 1349 C GLU A 87 -3.056 -13.344 2.140 1.00 0.00 C ATOM 1350 O GLU A 87 -2.445 -14.099 2.899 1.00 0.00 O ATOM 1351 CB GLU A 87 -3.183 -14.509 -0.095 1.00 0.00 C ATOM 1352 CG GLU A 87 -2.868 -14.457 -1.583 1.00 0.00 C ATOM 1353 CD GLU A 87 -3.547 -15.556 -2.377 1.00 0.00 C ATOM 1354 OE1 GLU A 87 -3.013 -16.686 -2.423 1.00 0.00 O ATOM 1355 OE2 GLU A 87 -4.611 -15.292 -2.972 1.00 0.00 O ATOM 0 H GLU A 87 -0.736 -14.032 0.600 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.169 -12.411 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.730 -15.402 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.261 -14.602 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.175 -13.489 -1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.789 -14.531 -1.722 1.00 0.00 H new ATOM 1362 N ASP A 88 -4.026 -12.533 2.544 1.00 0.00 N ATOM 1363 CA ASP A 88 -4.347 -12.354 3.958 1.00 0.00 C ATOM 1364 C ASP A 88 -4.878 -13.633 4.593 1.00 0.00 C ATOM 1365 O ASP A 88 -5.165 -14.618 3.913 1.00 0.00 O ATOM 1366 CB ASP A 88 -5.357 -11.224 4.142 1.00 0.00 C ATOM 1367 CG ASP A 88 -4.844 -9.904 3.607 1.00 0.00 C ATOM 1368 OD1 ASP A 88 -4.073 -9.222 4.321 1.00 0.00 O ATOM 1369 OD2 ASP A 88 -5.214 -9.546 2.469 1.00 0.00 O ATOM 0 H ASP A 88 -4.608 -11.985 1.910 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.418 -12.093 4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.286 -11.483 3.634 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.592 -11.118 5.201 1.00 0.00 H new ATOM 1374 N LYS A 89 -5.042 -13.585 5.906 1.00 0.00 N ATOM 1375 CA LYS A 89 -5.379 -14.762 6.692 1.00 0.00 C ATOM 1376 C LYS A 89 -6.895 -14.977 6.760 1.00 0.00 C ATOM 1377 O LYS A 89 -7.395 -15.689 7.633 1.00 0.00 O ATOM 1378 CB LYS A 89 -4.795 -14.609 8.100 1.00 0.00 C ATOM 1379 CG LYS A 89 -4.701 -15.911 8.874 1.00 0.00 C ATOM 1380 CD LYS A 89 -4.129 -15.693 10.264 1.00 0.00 C ATOM 1381 CE LYS A 89 -3.962 -17.008 11.003 1.00 0.00 C ATOM 1382 NZ LYS A 89 -3.005 -17.914 10.316 1.00 0.00 N ATOM 0 H LYS A 89 -4.946 -12.731 6.456 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.949 -15.640 6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.800 -14.171 8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.410 -13.907 8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.691 -16.360 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.074 -16.616 8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.165 -15.191 10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.787 -15.035 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.612 -16.813 12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.930 -17.501 11.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.724 -18.678 10.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.458 -18.323 9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.162 -17.376 10.029 1.00 0.00 H new ATOM 1396 N ALA A 90 -7.627 -14.371 5.835 1.00 0.00 N ATOM 1397 CA ALA A 90 -9.070 -14.555 5.774 1.00 0.00 C ATOM 1398 C ALA A 90 -9.390 -15.925 5.188 1.00 0.00 C ATOM 1399 O ALA A 90 -10.384 -16.556 5.548 1.00 0.00 O ATOM 1400 CB ALA A 90 -9.719 -13.453 4.949 1.00 0.00 C ATOM 0 H ALA A 90 -7.247 -13.751 5.120 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.475 -14.500 6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.797 -13.610 4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.507 -12.485 5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.319 -13.474 3.935 1.00 0.00 H new ATOM 1406 N GLU A 91 -8.532 -16.367 4.281 1.00 0.00 N ATOM 1407 CA GLU A 91 -8.626 -17.694 3.690 1.00 0.00 C ATOM 1408 C GLU A 91 -7.260 -18.376 3.771 1.00 0.00 C ATOM 1409 O GLU A 91 -6.457 -18.031 4.639 1.00 0.00 O ATOM 1410 CB GLU A 91 -9.100 -17.600 2.236 1.00 0.00 C ATOM 1411 CG GLU A 91 -10.496 -17.023 2.080 1.00 0.00 C ATOM 1412 CD GLU A 91 -10.989 -17.094 0.654 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -11.238 -18.213 0.164 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -11.126 -16.033 0.008 1.00 0.00 O ATOM 0 H GLU A 91 -7.749 -15.814 3.933 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.356 -18.287 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.398 -16.984 1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.077 -18.595 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.185 -17.565 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.497 -15.985 2.411 1.00 0.00 H new ATOM 1421 N ALA A 92 -7.015 -19.344 2.881 1.00 0.00 N ATOM 1422 CA ALA A 92 -5.733 -20.046 2.799 1.00 0.00 C ATOM 1423 C ALA A 92 -5.526 -20.970 3.996 1.00 0.00 C ATOM 1424 O ALA A 92 -5.051 -20.551 5.054 1.00 0.00 O ATOM 1425 CB ALA A 92 -4.566 -19.072 2.651 1.00 0.00 C ATOM 0 H ALA A 92 -7.702 -19.662 2.197 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.762 -20.664 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.631 -19.630 2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.695 -18.485 1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.538 -18.405 3.512 1.00 0.00 H new ATOM 1431 N PRO A 93 -5.912 -22.246 3.844 1.00 0.00 N ATOM 1432 CA PRO A 93 -5.759 -23.246 4.898 1.00 0.00 C ATOM 1433 C PRO A 93 -4.323 -23.758 5.010 1.00 0.00 C ATOM 1434 O PRO A 93 -3.827 -24.021 6.105 1.00 0.00 O ATOM 1435 CB PRO A 93 -6.705 -24.364 4.456 1.00 0.00 C ATOM 1436 CG PRO A 93 -6.771 -24.254 2.971 1.00 0.00 C ATOM 1437 CD PRO A 93 -6.545 -22.804 2.633 1.00 0.00 C ATOM 0 HA PRO A 93 -5.987 -22.844 5.885 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.331 -25.341 4.762 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.692 -24.246 4.904 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.014 -24.883 2.503 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.739 -24.591 2.601 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.901 -22.694 1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.482 -22.297 2.404 1.00 0.00 H new ATOM 1445 N ASN A 94 -3.654 -23.891 3.872 1.00 0.00 N ATOM 1446 CA ASN A 94 -2.277 -24.365 3.843 1.00 0.00 C ATOM 1447 C ASN A 94 -1.448 -23.472 2.938 1.00 0.00 C ATOM 1448 O ASN A 94 -1.975 -22.895 1.990 1.00 0.00 O ATOM 1449 CB ASN A 94 -2.193 -25.813 3.334 1.00 0.00 C ATOM 1450 CG ASN A 94 -3.021 -26.790 4.150 1.00 0.00 C ATOM 1451 OD1 ASN A 94 -2.569 -27.304 5.172 1.00 0.00 O ATOM 1452 ND2 ASN A 94 -4.222 -27.086 3.682 1.00 0.00 N ATOM 0 H ASN A 94 -4.044 -23.676 2.954 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.890 -24.333 4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.526 -25.845 2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -1.151 -26.134 3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -4.808 -27.762 4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -4.562 -26.639 2.831 1.00 0.00 H new ATOM 1459 N THR A 95 -0.156 -23.371 3.220 1.00 0.00 N ATOM 1460 CA THR A 95 0.750 -22.598 2.381 1.00 0.00 C ATOM 1461 C THR A 95 0.932 -23.292 1.031 1.00 0.00 C ATOM 1462 O THR A 95 1.364 -22.687 0.048 1.00 0.00 O ATOM 1463 CB THR A 95 2.119 -22.420 3.065 1.00 0.00 C ATOM 1464 OG1 THR A 95 1.927 -22.020 4.428 1.00 0.00 O ATOM 1465 CG2 THR A 95 2.965 -21.376 2.345 1.00 0.00 C ATOM 0 H THR A 95 0.288 -23.815 4.024 1.00 0.00 H new ATOM 0 HA THR A 95 0.312 -21.612 2.226 1.00 0.00 H new ATOM 0 HB THR A 95 2.645 -23.374 3.026 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.799 -21.909 4.862 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.925 -21.273 2.851 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.130 -21.690 1.314 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.446 -20.418 2.354 1.00 0.00 H new ATOM 1473 N ILE A 96 0.583 -24.576 1.001 1.00 0.00 N ATOM 1474 CA ILE A 96 0.600 -25.359 -0.225 1.00 0.00 C ATOM 1475 C ILE A 96 -0.486 -24.859 -1.177 1.00 0.00 C ATOM 1476 O ILE A 96 -0.391 -25.021 -2.392 1.00 0.00 O ATOM 1477 CB ILE A 96 0.371 -26.858 0.076 1.00 0.00 C ATOM 1478 CG1 ILE A 96 1.315 -27.326 1.189 1.00 0.00 C ATOM 1479 CG2 ILE A 96 0.576 -27.696 -1.180 1.00 0.00 C ATOM 1480 CD1 ILE A 96 1.104 -28.765 1.609 1.00 0.00 C ATOM 0 H ILE A 96 0.282 -25.098 1.824 1.00 0.00 H new ATOM 0 HA ILE A 96 1.578 -25.242 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.658 -26.989 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.345 -27.203 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 96 1.184 -26.681 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.410 -28.748 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.130 -27.379 -1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.594 -27.561 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.809 -29.020 2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.086 -28.891 1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.265 -29.421 0.754 1.00 0.00 H new ATOM 1492 N ALA A 97 -1.500 -24.225 -0.606 1.00 0.00 N ATOM 1493 CA ALA A 97 -2.613 -23.699 -1.379 1.00 0.00 C ATOM 1494 C ALA A 97 -2.504 -22.186 -1.508 1.00 0.00 C ATOM 1495 O ALA A 97 -1.642 -21.560 -0.888 1.00 0.00 O ATOM 1496 CB ALA A 97 -3.932 -24.079 -0.725 1.00 0.00 C ATOM 0 H ALA A 97 -1.574 -24.062 0.398 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.579 -24.134 -2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.758 -23.679 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.014 -25.165 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.971 -23.666 0.283 1.00 0.00 H new ATOM 1502 N SER A 98 -3.369 -21.606 -2.325 1.00 0.00 N ATOM 1503 CA SER A 98 -3.414 -20.162 -2.506 1.00 0.00 C ATOM 1504 C SER A 98 -4.831 -19.728 -2.880 1.00 0.00 C ATOM 1505 O SER A 98 -5.723 -20.569 -3.031 1.00 0.00 O ATOM 1506 CB SER A 98 -2.420 -19.734 -3.595 1.00 0.00 C ATOM 1507 OG SER A 98 -1.112 -20.209 -3.310 1.00 0.00 O ATOM 0 H SER A 98 -4.056 -22.118 -2.878 1.00 0.00 H new ATOM 0 HA SER A 98 -3.133 -19.678 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.747 -20.118 -4.561 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.406 -18.647 -3.672 1.00 0.00 H new ATOM 0 HG SER A 98 -0.499 -19.924 -4.019 1.00 0.00 H new ATOM 1513 N GLY A 99 -5.040 -18.424 -3.018 1.00 0.00 N ATOM 1514 CA GLY A 99 -6.340 -17.915 -3.416 1.00 0.00 C ATOM 1515 C GLY A 99 -6.697 -18.312 -4.835 1.00 0.00 C ATOM 1516 O GLY A 99 -7.873 -18.418 -5.186 1.00 0.00 O ATOM 0 H GLY A 99 -4.331 -17.708 -2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.101 -18.291 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.345 -16.828 -3.332 1.00 0.00 H new ATOM 1520 N SER A 100 -5.679 -18.532 -5.649 1.00 0.00 N ATOM 1521 CA SER A 100 -5.878 -18.969 -7.016 1.00 0.00 C ATOM 1522 C SER A 100 -5.804 -20.494 -7.080 1.00 0.00 C ATOM 1523 O SER A 100 -6.867 -21.145 -7.031 1.00 0.00 O ATOM 1524 CB SER A 100 -4.827 -18.329 -7.932 1.00 0.00 C ATOM 1525 OG SER A 100 -5.123 -18.553 -9.303 1.00 0.00 O ATOM 1526 OXT SER A 100 -4.684 -21.037 -7.154 1.00 0.00 O ATOM 0 H SER A 100 -4.701 -18.414 -5.383 1.00 0.00 H new ATOM 0 HA SER A 100 -6.863 -18.653 -7.360 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.780 -17.257 -7.740 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.844 -18.738 -7.700 1.00 0.00 H new ATOM 0 HG SER A 100 -4.435 -18.131 -9.859 1.00 0.00 H new TER 1532 SER A 100