USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 750 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 23 HIS : no HE2:sc= -0.694 K(o=-1.4,f=-4.7) USER MOD Set 1.2: A 24 HIS : no HD1:sc= -0.74 X(o=-1.4,f=-1.5) USER MOD Set 2.1: A 9 LYS NZ :NH3+ -144:sc= 0.286 (180deg=-2.16!) USER MOD Set 2.2: A 14 CYS SG : rot -50:sc= -2.48! USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : A 11 SER OG : rot -90:sc= -1.09! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -126:sc= -2.59! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.0034) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -6.69! C(o=-6.7!,f=-5.4!) USER MOD Single : A 36 SER OG : rot 180:sc= -1.55! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -10.6! C(o=-11!,f=-14!) USER MOD Single : A 48 ASN : amide:sc= -3.74 K(o=-3.7,f=-8.8!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.73 USER MOD Single : A 55 MET CE :methyl -154:sc= -19! (180deg=-21!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0299 USER MOD Single : A 58 SER OG : rot -140:sc= -0.0884 USER MOD Single : A 67 TYR OH : rot 93:sc= -3.9! USER MOD Single : A 68 LYS NZ :NH3+ 146:sc= -0.19 (180deg=-0.774) USER MOD Single : A 69 GLN : amide:sc= -8.43! C(o=-8.4!,f=-5.4!) USER MOD Single : A 77 MET CE :methyl 172:sc= -4.7 (180deg=-4.9!) USER MOD Single : A 80 CYS SG : rot 180:sc= -5.53! USER MOD Single : A 83 SER OG : rot -130:sc= -0.314 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -6.56! C(o=-6.6!,f=-11!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.373 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.722 -13.972 0.309 1.00 0.00 N ATOM 12 CA LEU A 2 -7.739 -12.924 0.093 1.00 0.00 C ATOM 13 C LEU A 2 -6.336 -13.535 0.106 1.00 0.00 C ATOM 14 O LEU A 2 -6.047 -14.418 0.911 1.00 0.00 O ATOM 15 CB LEU A 2 -7.926 -11.795 1.110 1.00 0.00 C ATOM 16 CG LEU A 2 -6.713 -10.892 1.340 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.861 -9.571 0.581 1.00 0.00 C ATOM 18 CD2 LEU A 2 -6.471 -10.670 2.834 1.00 0.00 C ATOM 0 HA LEU A 2 -7.880 -12.467 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.760 -11.174 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.212 -12.236 2.065 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.832 -11.395 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.985 -8.948 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.949 -9.773 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.754 -9.051 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.603 -10.025 2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.347 -10.198 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.290 -11.629 3.320 1.00 0.00 H new ATOM 29 N GLY A 3 -5.502 -13.042 -0.797 1.00 0.00 N ATOM 30 CA GLY A 3 -4.137 -13.529 -0.901 1.00 0.00 C ATOM 31 C GLY A 3 -3.149 -12.521 -0.308 1.00 0.00 C ATOM 32 O GLY A 3 -3.533 -11.663 0.485 1.00 0.00 O ATOM 0 H GLY A 3 -5.745 -12.310 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.046 -14.482 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.891 -13.713 -1.947 1.00 0.00 H new ATOM 36 N ILE A 4 -1.896 -12.659 -0.716 1.00 0.00 N ATOM 37 CA ILE A 4 -0.851 -11.771 -0.235 1.00 0.00 C ATOM 38 C ILE A 4 0.492 -12.203 -0.829 1.00 0.00 C ATOM 39 O ILE A 4 0.813 -13.391 -0.848 1.00 0.00 O ATOM 40 CB ILE A 4 -0.858 -11.715 1.294 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.592 -10.293 1.791 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.132 -12.722 1.884 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.454 -9.593 0.920 1.00 0.00 C ATOM 0 H ILE A 4 -1.581 -13.372 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.034 -10.750 -0.569 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.852 -11.998 1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.520 -9.721 1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.248 -10.324 2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.107 -12.662 2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.143 -13.729 1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.138 -12.493 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.624 -8.584 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.388 -10.154 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.096 -9.542 -0.108 1.00 0.00 H new ATOM 54 N ASP A 5 1.240 -11.217 -1.299 1.00 0.00 N ATOM 55 CA ASP A 5 2.539 -11.480 -1.892 1.00 0.00 C ATOM 56 C ASP A 5 3.565 -10.498 -1.320 1.00 0.00 C ATOM 57 O ASP A 5 3.196 -9.482 -0.733 1.00 0.00 O ATOM 58 CB ASP A 5 2.501 -11.291 -3.410 1.00 0.00 C ATOM 59 CG ASP A 5 2.972 -12.499 -4.223 1.00 0.00 C ATOM 60 OD1 ASP A 5 4.166 -12.637 -4.528 1.00 0.00 O ATOM 61 OD2 ASP A 5 2.042 -13.331 -4.552 1.00 0.00 O ATOM 0 H ASP A 5 0.971 -10.233 -1.281 1.00 0.00 H new ATOM 0 HA ASP A 5 2.811 -12.511 -1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.480 -11.048 -3.706 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.121 -10.433 -3.670 1.00 0.00 H new ATOM 66 N MET A 6 4.831 -10.837 -1.510 1.00 0.00 N ATOM 67 CA MET A 6 5.911 -9.999 -1.020 1.00 0.00 C ATOM 68 C MET A 6 7.167 -10.163 -1.880 1.00 0.00 C ATOM 69 O MET A 6 7.504 -11.273 -2.286 1.00 0.00 O ATOM 70 CB MET A 6 6.232 -10.373 0.429 1.00 0.00 C ATOM 71 CG MET A 6 5.369 -9.573 1.406 1.00 0.00 C ATOM 72 SD MET A 6 5.883 -9.900 3.084 1.00 0.00 S ATOM 73 CE MET A 6 4.715 -11.176 3.523 1.00 0.00 C ATOM 0 H MET A 6 5.133 -11.681 -1.997 1.00 0.00 H new ATOM 0 HA MET A 6 5.590 -8.959 -1.073 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.064 -11.439 0.579 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.286 -10.185 0.632 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.455 -8.508 1.192 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.320 -9.840 1.280 1.00 0.00 H new ATOM 0 HE1 MET A 6 4.896 -11.498 4.549 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.701 -10.786 3.439 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.834 -12.025 2.850 1.00 0.00 H new ATOM 81 N ASN A 7 7.824 -9.040 -2.131 1.00 0.00 N ATOM 82 CA ASN A 7 9.034 -9.045 -2.935 1.00 0.00 C ATOM 83 C ASN A 7 10.030 -8.039 -2.356 1.00 0.00 C ATOM 84 O ASN A 7 9.716 -7.325 -1.406 1.00 0.00 O ATOM 85 CB ASN A 7 8.738 -8.639 -4.380 1.00 0.00 C ATOM 86 CG ASN A 7 9.058 -9.780 -5.348 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.246 -10.653 -5.611 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.283 -9.725 -5.862 1.00 0.00 N ATOM 0 H ASN A 7 7.541 -8.121 -1.792 1.00 0.00 H new ATOM 0 HA ASN A 7 9.443 -10.055 -2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.689 -8.360 -4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.326 -7.760 -4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.593 -10.441 -6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.913 -8.967 -5.599 1.00 0.00 H new ATOM 94 N VAL A 8 11.213 -8.015 -2.953 1.00 0.00 N ATOM 95 CA VAL A 8 12.258 -7.109 -2.509 1.00 0.00 C ATOM 96 C VAL A 8 13.066 -6.637 -3.719 1.00 0.00 C ATOM 97 O VAL A 8 13.369 -7.425 -4.614 1.00 0.00 O ATOM 98 CB VAL A 8 13.120 -7.786 -1.442 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.608 -7.627 -1.757 1.00 0.00 C ATOM 100 CG2 VAL A 8 12.793 -7.246 -0.048 1.00 0.00 C ATOM 0 H VAL A 8 11.471 -8.609 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 8 11.823 -6.225 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 8 12.888 -8.851 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.198 -8.117 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.826 -8.083 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.862 -6.567 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.420 -7.744 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.982 -6.173 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.744 -7.436 0.179 1.00 0.00 H new ATOM 110 N LYS A 9 13.393 -5.353 -3.707 1.00 0.00 N ATOM 111 CA LYS A 9 14.161 -4.766 -4.793 1.00 0.00 C ATOM 112 C LYS A 9 15.052 -3.652 -4.238 1.00 0.00 C ATOM 113 O LYS A 9 14.570 -2.562 -3.933 1.00 0.00 O ATOM 114 CB LYS A 9 13.232 -4.308 -5.919 1.00 0.00 C ATOM 115 CG LYS A 9 11.878 -5.014 -5.834 1.00 0.00 C ATOM 116 CD LYS A 9 11.936 -6.393 -6.495 1.00 0.00 C ATOM 117 CE LYS A 9 11.263 -6.372 -7.868 1.00 0.00 C ATOM 118 NZ LYS A 9 9.953 -5.687 -7.794 1.00 0.00 N ATOM 0 H LYS A 9 13.140 -4.703 -2.963 1.00 0.00 H new ATOM 0 HA LYS A 9 14.821 -5.510 -5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.088 -3.229 -5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.694 -4.516 -6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.584 -5.119 -4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.115 -4.406 -6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.975 -6.706 -6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.445 -7.127 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.906 -5.863 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.127 -7.392 -8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.280 -6.155 -8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.592 -5.732 -6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.065 -4.692 -8.076 1.00 0.00 H new ATOM 127 N GLU A 10 16.334 -3.964 -4.124 1.00 0.00 N ATOM 128 CA GLU A 10 17.296 -3.004 -3.612 1.00 0.00 C ATOM 129 C GLU A 10 16.969 -2.649 -2.160 1.00 0.00 C ATOM 130 O GLU A 10 17.862 -2.317 -1.382 1.00 0.00 O ATOM 131 CB GLU A 10 17.337 -1.749 -4.487 1.00 0.00 C ATOM 132 CG GLU A 10 18.007 -0.589 -3.750 1.00 0.00 C ATOM 133 CD GLU A 10 18.877 0.236 -4.701 1.00 0.00 C ATOM 134 OE1 GLU A 10 19.378 -0.298 -5.703 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.025 1.474 -4.371 1.00 0.00 O ATOM 0 H GLU A 10 16.729 -4.869 -4.378 1.00 0.00 H new ATOM 0 HA GLU A 10 18.286 -3.460 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.880 -1.961 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.323 -1.467 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.246 0.050 -3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.619 -0.976 -2.935 1.00 0.00 H new ATOM 141 N SER A 11 15.686 -2.730 -1.839 1.00 0.00 N ATOM 142 CA SER A 11 15.231 -2.421 -0.494 1.00 0.00 C ATOM 143 C SER A 11 13.714 -2.218 -0.489 1.00 0.00 C ATOM 144 O SER A 11 13.114 -2.024 0.567 1.00 0.00 O ATOM 145 CB SER A 11 15.935 -1.178 0.055 1.00 0.00 C ATOM 146 OG SER A 11 16.646 -0.476 -0.961 1.00 0.00 O ATOM 0 H SER A 11 14.948 -3.005 -2.487 1.00 0.00 H new ATOM 0 HA SER A 11 15.481 -3.262 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.198 -0.514 0.507 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.626 -1.472 0.845 1.00 0.00 H new ATOM 0 HG SER A 11 17.560 -0.824 -1.021 1.00 0.00 H new ATOM 151 N VAL A 12 13.138 -2.270 -1.681 1.00 0.00 N ATOM 152 CA VAL A 12 11.704 -2.095 -1.827 1.00 0.00 C ATOM 153 C VAL A 12 11.027 -3.466 -1.866 1.00 0.00 C ATOM 154 O VAL A 12 11.331 -4.288 -2.730 1.00 0.00 O ATOM 155 CB VAL A 12 11.403 -1.245 -3.064 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.720 -2.015 -4.348 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.952 -0.761 -3.059 1.00 0.00 C ATOM 0 H VAL A 12 13.639 -2.431 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 12 11.297 -1.556 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 12 12.048 -0.367 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.497 -1.389 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.776 -2.286 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.113 -2.919 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.766 -0.160 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.282 -1.621 -3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.773 -0.157 -2.169 1.00 0.00 H new ATOM 167 N LEU A 13 10.123 -3.672 -0.920 1.00 0.00 N ATOM 168 CA LEU A 13 9.401 -4.930 -0.835 1.00 0.00 C ATOM 169 C LEU A 13 8.028 -4.772 -1.492 1.00 0.00 C ATOM 170 O LEU A 13 7.182 -4.029 -0.997 1.00 0.00 O ATOM 171 CB LEU A 13 9.338 -5.415 0.615 1.00 0.00 C ATOM 172 CG LEU A 13 9.963 -4.489 1.659 1.00 0.00 C ATOM 173 CD1 LEU A 13 11.367 -4.052 1.234 1.00 0.00 C ATOM 174 CD2 LEU A 13 9.053 -3.293 1.949 1.00 0.00 C ATOM 0 H LEU A 13 9.874 -2.988 -0.205 1.00 0.00 H new ATOM 0 HA LEU A 13 9.929 -5.710 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.292 -5.574 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.833 -6.384 0.675 1.00 0.00 H new ATOM 0 HG LEU A 13 10.067 -5.046 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.789 -3.394 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.003 -4.930 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.311 -3.520 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.522 -2.651 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.893 -2.726 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.095 -3.648 2.327 1.00 0.00 H new ATOM 185 N CYS A 14 7.850 -5.482 -2.596 1.00 0.00 N ATOM 186 CA CYS A 14 6.595 -5.428 -3.325 1.00 0.00 C ATOM 187 C CYS A 14 5.586 -6.333 -2.613 1.00 0.00 C ATOM 188 O CYS A 14 5.852 -7.515 -2.398 1.00 0.00 O ATOM 189 CB CYS A 14 6.776 -5.820 -4.793 1.00 0.00 C ATOM 190 SG CYS A 14 8.501 -5.504 -5.316 1.00 0.00 S ATOM 0 H CYS A 14 8.554 -6.098 -3.003 1.00 0.00 H new ATOM 0 HA CYS A 14 6.221 -4.404 -3.334 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.533 -6.874 -4.929 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.088 -5.251 -5.418 1.00 0.00 H new ATOM 0 HG CYS A 14 8.841 -4.295 -4.981 1.00 0.00 H new ATOM 195 N ILE A 15 4.452 -5.744 -2.268 1.00 0.00 N ATOM 196 CA ILE A 15 3.404 -6.483 -1.584 1.00 0.00 C ATOM 197 C ILE A 15 2.181 -6.588 -2.499 1.00 0.00 C ATOM 198 O ILE A 15 1.409 -5.637 -2.621 1.00 0.00 O ATOM 199 CB ILE A 15 3.101 -5.850 -0.224 1.00 0.00 C ATOM 200 CG1 ILE A 15 4.094 -6.331 0.836 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.651 -6.106 0.189 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.529 -6.283 0.308 1.00 0.00 C ATOM 0 H ILE A 15 4.235 -4.764 -2.449 1.00 0.00 H new ATOM 0 HA ILE A 15 3.733 -7.500 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 15 3.223 -4.771 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.010 -5.708 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.847 -7.350 1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.462 -5.646 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.980 -5.675 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.476 -7.180 0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.213 -6.630 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.616 -6.926 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.782 -5.259 0.033 1.00 0.00 H new ATOM 213 N ARG A 16 2.042 -7.751 -3.117 1.00 0.00 N ATOM 214 CA ARG A 16 0.927 -7.992 -4.017 1.00 0.00 C ATOM 215 C ARG A 16 -0.251 -8.600 -3.251 1.00 0.00 C ATOM 216 O ARG A 16 -0.140 -9.698 -2.706 1.00 0.00 O ATOM 217 CB ARG A 16 1.329 -8.935 -5.152 1.00 0.00 C ATOM 218 CG ARG A 16 1.249 -8.227 -6.507 1.00 0.00 C ATOM 219 CD ARG A 16 2.549 -8.402 -7.294 1.00 0.00 C ATOM 220 NE ARG A 16 2.276 -8.317 -8.747 1.00 0.00 N ATOM 221 CZ ARG A 16 3.102 -8.795 -9.701 1.00 0.00 C ATOM 222 NH1 ARG A 16 4.263 -9.397 -9.364 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.758 -8.666 -10.969 1.00 0.00 N ATOM 0 H ARG A 16 2.683 -8.537 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 16 0.632 -7.033 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.343 -9.298 -4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.675 -9.807 -5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.415 -8.628 -7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.051 -7.166 -6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.265 -7.633 -7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.001 -9.365 -7.056 1.00 0.00 H new ATOM 0 HE ARG A 16 1.409 -7.869 -9.045 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.521 -9.493 -8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.882 -9.756 -10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.879 -8.210 -11.215 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.371 -9.022 -11.702 1.00 0.00 H new ATOM 233 N LEU A 17 -1.350 -7.861 -3.234 1.00 0.00 N ATOM 234 CA LEU A 17 -2.546 -8.314 -2.545 1.00 0.00 C ATOM 235 C LEU A 17 -3.549 -8.848 -3.570 1.00 0.00 C ATOM 236 O LEU A 17 -3.882 -8.162 -4.534 1.00 0.00 O ATOM 237 CB LEU A 17 -3.107 -7.201 -1.659 1.00 0.00 C ATOM 238 CG LEU A 17 -2.122 -6.565 -0.675 1.00 0.00 C ATOM 239 CD1 LEU A 17 -1.604 -7.599 0.326 1.00 0.00 C ATOM 240 CD2 LEU A 17 -0.983 -5.863 -1.417 1.00 0.00 C ATOM 0 H LEU A 17 -1.437 -6.951 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.309 -9.138 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.504 -6.416 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.947 -7.603 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.652 -5.802 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.906 -7.122 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.441 -8.013 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.095 -8.400 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.297 -5.420 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.446 -6.588 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.393 -5.081 -2.056 1.00 0.00 H new ATOM 251 N THR A 18 -4.000 -10.069 -3.326 1.00 0.00 N ATOM 252 CA THR A 18 -4.958 -10.705 -4.215 1.00 0.00 C ATOM 253 C THR A 18 -6.149 -11.245 -3.419 1.00 0.00 C ATOM 254 O THR A 18 -5.992 -12.145 -2.596 1.00 0.00 O ATOM 255 CB THR A 18 -4.221 -11.782 -5.012 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.209 -12.242 -4.120 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.441 -11.206 -6.195 1.00 0.00 C ATOM 0 H THR A 18 -3.720 -10.635 -2.525 1.00 0.00 H new ATOM 0 HA THR A 18 -5.378 -9.989 -4.921 1.00 0.00 H new ATOM 0 HB THR A 18 -4.938 -12.518 -5.375 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.683 -12.945 -4.556 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.937 -12.013 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.129 -10.700 -6.872 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.701 -10.494 -5.831 1.00 0.00 H new ATOM 265 N GLY A 19 -7.311 -10.672 -3.693 1.00 0.00 N ATOM 266 CA GLY A 19 -8.528 -11.084 -3.013 1.00 0.00 C ATOM 267 C GLY A 19 -9.456 -9.891 -2.777 1.00 0.00 C ATOM 268 O GLY A 19 -9.869 -9.225 -3.726 1.00 0.00 O ATOM 0 H GLY A 19 -7.436 -9.926 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.044 -11.838 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.276 -11.548 -2.059 1.00 0.00 H new ATOM 272 N GLU A 20 -9.757 -9.658 -1.509 1.00 0.00 N ATOM 273 CA GLU A 20 -10.628 -8.557 -1.137 1.00 0.00 C ATOM 274 C GLU A 20 -9.945 -7.666 -0.097 1.00 0.00 C ATOM 275 O GLU A 20 -9.037 -8.110 0.605 1.00 0.00 O ATOM 276 CB GLU A 20 -11.973 -9.072 -0.620 1.00 0.00 C ATOM 277 CG GLU A 20 -13.063 -8.928 -1.685 1.00 0.00 C ATOM 278 CD GLU A 20 -14.158 -9.978 -1.493 1.00 0.00 C ATOM 279 OE1 GLU A 20 -13.897 -11.182 -1.641 1.00 0.00 O ATOM 280 OE2 GLU A 20 -15.317 -9.507 -1.179 1.00 0.00 O ATOM 0 H GLU A 20 -9.413 -10.213 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.823 -7.958 -2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.879 -10.119 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.259 -8.519 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.498 -7.930 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.624 -9.033 -2.677 1.00 0.00 H new ATOM 286 N LEU A 21 -10.409 -6.427 -0.029 1.00 0.00 N ATOM 287 CA LEU A 21 -9.854 -5.471 0.914 1.00 0.00 C ATOM 288 C LEU A 21 -10.964 -4.975 1.843 1.00 0.00 C ATOM 289 O LEU A 21 -11.746 -4.102 1.470 1.00 0.00 O ATOM 290 CB LEU A 21 -9.125 -4.349 0.172 1.00 0.00 C ATOM 291 CG LEU A 21 -7.674 -4.635 -0.217 1.00 0.00 C ATOM 292 CD1 LEU A 21 -6.947 -5.396 0.893 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.601 -5.370 -1.558 1.00 0.00 C ATOM 0 H LEU A 21 -11.163 -6.063 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.102 -5.948 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.684 -4.116 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.144 -3.456 0.796 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.160 -3.682 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.917 -5.586 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.952 -4.801 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.452 -6.344 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.558 -5.561 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.136 -6.317 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.057 -4.756 -2.335 1.00 0.00 H new ATOM 304 N ASP A 22 -10.997 -5.553 3.035 1.00 0.00 N ATOM 305 CA ASP A 22 -11.997 -5.179 4.020 1.00 0.00 C ATOM 306 C ASP A 22 -11.414 -5.354 5.424 1.00 0.00 C ATOM 307 O ASP A 22 -10.382 -5.998 5.596 1.00 0.00 O ATOM 308 CB ASP A 22 -13.237 -6.070 3.910 1.00 0.00 C ATOM 309 CG ASP A 22 -12.995 -7.439 3.272 1.00 0.00 C ATOM 310 OD1 ASP A 22 -13.384 -8.479 3.826 1.00 0.00 O ATOM 311 OD2 ASP A 22 -12.369 -7.414 2.144 1.00 0.00 O ATOM 0 H ASP A 22 -10.347 -6.277 3.341 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.279 -4.142 3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.649 -6.219 4.908 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.994 -5.544 3.328 1.00 0.00 H new ATOM 316 N HIS A 23 -12.101 -4.765 6.392 1.00 0.00 N ATOM 317 CA HIS A 23 -11.664 -4.846 7.775 1.00 0.00 C ATOM 318 C HIS A 23 -11.183 -6.267 8.079 1.00 0.00 C ATOM 319 O HIS A 23 -10.370 -6.471 8.980 1.00 0.00 O ATOM 320 CB HIS A 23 -12.771 -4.380 8.723 1.00 0.00 C ATOM 321 CG HIS A 23 -13.678 -5.489 9.201 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.533 -6.095 10.437 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.741 -6.094 8.598 1.00 0.00 C ATOM 324 CE1 HIS A 23 -14.472 -7.022 10.560 1.00 0.00 C ATOM 325 NE2 HIS A 23 -15.219 -7.020 9.419 1.00 0.00 N ATOM 0 H HIS A 23 -12.957 -4.230 6.246 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.822 -4.172 7.934 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.315 -3.899 9.588 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.373 -3.624 8.218 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -12.824 -5.867 11.134 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -15.128 -5.859 7.618 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.620 -7.666 11.414 1.00 0.00 H new ATOM 332 N HIS A 24 -11.705 -7.210 7.311 1.00 0.00 N ATOM 333 CA HIS A 24 -11.339 -8.606 7.487 1.00 0.00 C ATOM 334 C HIS A 24 -10.014 -8.882 6.773 1.00 0.00 C ATOM 335 O HIS A 24 -9.058 -9.349 7.392 1.00 0.00 O ATOM 336 CB HIS A 24 -12.468 -9.527 7.018 1.00 0.00 C ATOM 337 CG HIS A 24 -13.473 -9.862 8.092 1.00 0.00 C ATOM 338 ND1 HIS A 24 -14.827 -9.610 7.957 1.00 0.00 N ATOM 339 CD2 HIS A 24 -13.309 -10.431 9.322 1.00 0.00 C ATOM 340 CE1 HIS A 24 -15.440 -10.013 9.061 1.00 0.00 C ATOM 341 NE2 HIS A 24 -14.498 -10.521 9.905 1.00 0.00 N ATOM 0 H HIS A 24 -12.379 -7.036 6.565 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.193 -8.817 8.546 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.987 -9.053 6.184 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -12.034 -10.452 6.639 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.371 -10.753 9.749 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -16.500 -9.950 9.257 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -14.677 -10.907 10.832 1.00 0.00 H new ATOM 348 N THR A 25 -9.999 -8.583 5.483 1.00 0.00 N ATOM 349 CA THR A 25 -8.807 -8.793 4.679 1.00 0.00 C ATOM 350 C THR A 25 -7.810 -7.652 4.895 1.00 0.00 C ATOM 351 O THR A 25 -6.672 -7.723 4.436 1.00 0.00 O ATOM 352 CB THR A 25 -9.241 -8.952 3.222 1.00 0.00 C ATOM 353 OG1 THR A 25 -9.644 -7.641 2.834 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.514 -9.791 3.078 1.00 0.00 C ATOM 0 H THR A 25 -10.794 -8.197 4.974 1.00 0.00 H new ATOM 0 HA THR A 25 -8.284 -9.701 4.978 1.00 0.00 H new ATOM 0 HB THR A 25 -8.435 -9.414 2.652 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.555 -7.672 2.474 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.778 -9.873 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.342 -10.786 3.487 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.329 -9.312 3.620 1.00 0.00 H new ATOM 362 N ALA A 26 -8.276 -6.627 5.594 1.00 0.00 N ATOM 363 CA ALA A 26 -7.439 -5.473 5.876 1.00 0.00 C ATOM 364 C ALA A 26 -6.480 -5.811 7.018 1.00 0.00 C ATOM 365 O ALA A 26 -5.503 -5.097 7.245 1.00 0.00 O ATOM 366 CB ALA A 26 -8.325 -4.266 6.195 1.00 0.00 C ATOM 0 H ALA A 26 -9.221 -6.572 5.973 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.836 -5.214 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.698 -3.400 6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.966 -4.049 5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.943 -4.488 7.065 1.00 0.00 H new ATOM 372 N GLU A 27 -6.793 -6.897 7.710 1.00 0.00 N ATOM 373 CA GLU A 27 -5.971 -7.337 8.824 1.00 0.00 C ATOM 374 C GLU A 27 -4.588 -7.764 8.328 1.00 0.00 C ATOM 375 O GLU A 27 -3.571 -7.391 8.911 1.00 0.00 O ATOM 376 CB GLU A 27 -6.651 -8.472 9.593 1.00 0.00 C ATOM 377 CG GLU A 27 -6.785 -8.124 11.077 1.00 0.00 C ATOM 378 CD GLU A 27 -8.178 -7.573 11.387 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.172 -8.041 10.813 1.00 0.00 O ATOM 380 OE2 GLU A 27 -8.206 -6.624 12.260 1.00 0.00 O ATOM 0 H GLU A 27 -7.605 -7.485 7.520 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.847 -6.500 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.637 -8.663 9.170 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.073 -9.389 9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.599 -9.012 11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.029 -7.388 11.351 1.00 0.00 H new ATOM 386 N THR A 28 -4.594 -8.541 7.254 1.00 0.00 N ATOM 387 CA THR A 28 -3.353 -9.023 6.671 1.00 0.00 C ATOM 388 C THR A 28 -2.321 -7.895 6.605 1.00 0.00 C ATOM 389 O THR A 28 -1.172 -8.075 7.006 1.00 0.00 O ATOM 390 CB THR A 28 -3.676 -9.632 5.306 1.00 0.00 C ATOM 391 OG1 THR A 28 -2.919 -10.838 5.276 1.00 0.00 O ATOM 392 CG2 THR A 28 -3.110 -8.807 4.149 1.00 0.00 C ATOM 0 H THR A 28 -5.439 -8.849 6.772 1.00 0.00 H new ATOM 0 HA THR A 28 -2.901 -9.799 7.289 1.00 0.00 H new ATOM 0 HB THR A 28 -4.757 -9.720 5.194 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.071 -11.299 4.424 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.367 -9.283 3.203 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.533 -7.803 4.177 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.026 -8.747 4.241 1.00 0.00 H new ATOM 400 N LEU A 29 -2.769 -6.756 6.097 1.00 0.00 N ATOM 401 CA LEU A 29 -1.899 -5.599 5.973 1.00 0.00 C ATOM 402 C LEU A 29 -1.673 -4.987 7.357 1.00 0.00 C ATOM 403 O LEU A 29 -0.650 -4.346 7.596 1.00 0.00 O ATOM 404 CB LEU A 29 -2.464 -4.612 4.949 1.00 0.00 C ATOM 405 CG LEU A 29 -1.448 -3.983 3.993 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.020 -4.180 4.504 1.00 0.00 C ATOM 407 CD2 LEU A 29 -1.628 -4.519 2.572 1.00 0.00 C ATOM 0 H LEU A 29 -3.723 -6.610 5.767 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.922 -5.895 5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.220 -5.127 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.971 -3.811 5.487 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.631 -2.909 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.682 -3.724 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.084 -3.711 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.193 -5.246 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.894 -4.056 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.487 -5.600 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.632 -4.284 2.219 1.00 0.00 H new ATOM 418 N LYS A 30 -2.643 -5.206 8.232 1.00 0.00 N ATOM 419 CA LYS A 30 -2.561 -4.683 9.585 1.00 0.00 C ATOM 420 C LYS A 30 -1.279 -5.191 10.247 1.00 0.00 C ATOM 421 O LYS A 30 -0.573 -4.430 10.908 1.00 0.00 O ATOM 422 CB LYS A 30 -3.832 -5.022 10.368 1.00 0.00 C ATOM 423 CG LYS A 30 -3.923 -4.193 11.651 1.00 0.00 C ATOM 424 CD LYS A 30 -4.282 -2.739 11.339 1.00 0.00 C ATOM 425 CE LYS A 30 -3.606 -1.784 12.326 1.00 0.00 C ATOM 426 NZ LYS A 30 -4.604 -0.877 12.936 1.00 0.00 N ATOM 0 H LYS A 30 -3.489 -5.738 8.031 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.503 -3.595 9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.707 -4.834 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.839 -6.084 10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.674 -4.623 12.314 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.971 -4.231 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.974 -2.495 10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.363 -2.610 11.385 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.100 -2.355 13.105 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.842 -1.201 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.129 -0.236 13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.068 -0.319 12.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.318 -1.437 13.444 1.00 0.00 H new ATOM 435 N GLN A 31 -1.015 -6.474 10.047 1.00 0.00 N ATOM 436 CA GLN A 31 0.170 -7.093 10.617 1.00 0.00 C ATOM 437 C GLN A 31 1.418 -6.653 9.848 1.00 0.00 C ATOM 438 O GLN A 31 2.483 -6.474 10.438 1.00 0.00 O ATOM 439 CB GLN A 31 0.042 -8.617 10.627 1.00 0.00 C ATOM 440 CG GLN A 31 -0.311 -9.148 9.236 1.00 0.00 C ATOM 441 CD GLN A 31 -0.089 -10.660 9.154 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.015 -11.159 9.289 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.199 -11.357 8.925 1.00 0.00 N ATOM 0 H GLN A 31 -1.602 -7.102 9.498 1.00 0.00 H new ATOM 0 HA GLN A 31 0.267 -6.763 11.651 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.979 -9.062 10.963 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.726 -8.916 11.340 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.351 -8.917 9.008 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.299 -8.646 8.485 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.092 -10.875 8.822 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.157 -12.374 8.853 1.00 0.00 H new ATOM 450 N LYS A 32 1.246 -6.492 8.545 1.00 0.00 N ATOM 451 CA LYS A 32 2.345 -6.076 7.691 1.00 0.00 C ATOM 452 C LYS A 32 2.829 -4.691 8.126 1.00 0.00 C ATOM 453 O LYS A 32 3.899 -4.246 7.714 1.00 0.00 O ATOM 454 CB LYS A 32 1.938 -6.151 6.218 1.00 0.00 C ATOM 455 CG LYS A 32 2.975 -5.465 5.326 1.00 0.00 C ATOM 456 CD LYS A 32 4.349 -6.122 5.478 1.00 0.00 C ATOM 457 CE LYS A 32 5.348 -5.540 4.476 1.00 0.00 C ATOM 458 NZ LYS A 32 6.580 -5.101 5.169 1.00 0.00 N ATOM 0 H LYS A 32 0.362 -6.642 8.059 1.00 0.00 H new ATOM 0 HA LYS A 32 3.189 -6.757 7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.830 -7.194 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.966 -5.678 6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.656 -5.517 4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.042 -4.409 5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.717 -5.973 6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.261 -7.198 5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.594 -6.288 3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.898 -4.697 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.248 -4.709 4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.342 -4.372 5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.017 -5.914 5.648 1.00 0.00 H new ATOM 467 N VAL A 33 2.016 -4.049 8.952 1.00 0.00 N ATOM 468 CA VAL A 33 2.348 -2.724 9.447 1.00 0.00 C ATOM 469 C VAL A 33 3.439 -2.840 10.514 1.00 0.00 C ATOM 470 O VAL A 33 4.489 -2.208 10.404 1.00 0.00 O ATOM 471 CB VAL A 33 1.085 -2.026 9.957 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.354 -0.546 10.239 1.00 0.00 C ATOM 473 CG2 VAL A 33 -0.072 -2.196 8.972 1.00 0.00 C ATOM 0 H VAL A 33 1.129 -4.421 9.291 1.00 0.00 H new ATOM 0 HA VAL A 33 2.745 -2.104 8.643 1.00 0.00 H new ATOM 0 HB VAL A 33 0.796 -2.499 10.896 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.441 -0.073 10.600 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.133 -0.456 10.996 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.679 -0.054 9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.957 -1.690 9.359 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.202 -1.762 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.287 -3.257 8.843 1.00 0.00 H new ATOM 483 N THR A 34 3.154 -3.653 11.520 1.00 0.00 N ATOM 484 CA THR A 34 4.098 -3.860 12.605 1.00 0.00 C ATOM 485 C THR A 34 5.464 -4.269 12.051 1.00 0.00 C ATOM 486 O THR A 34 6.498 -3.840 12.562 1.00 0.00 O ATOM 487 CB THR A 34 3.498 -4.891 13.563 1.00 0.00 C ATOM 488 OG1 THR A 34 4.619 -5.377 14.297 1.00 0.00 O ATOM 489 CG2 THR A 34 2.965 -6.127 12.836 1.00 0.00 C ATOM 0 H THR A 34 2.283 -4.176 11.607 1.00 0.00 H new ATOM 0 HA THR A 34 4.270 -2.939 13.162 1.00 0.00 H new ATOM 0 HB THR A 34 2.691 -4.430 14.133 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.320 -6.050 14.943 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.551 -6.826 13.563 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.186 -5.829 12.134 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.778 -6.608 12.292 1.00 0.00 H new ATOM 497 N GLN A 35 5.426 -5.094 11.015 1.00 0.00 N ATOM 498 CA GLN A 35 6.648 -5.565 10.387 1.00 0.00 C ATOM 499 C GLN A 35 7.441 -4.387 9.819 1.00 0.00 C ATOM 500 O GLN A 35 8.655 -4.303 10.005 1.00 0.00 O ATOM 501 CB GLN A 35 6.342 -6.595 9.298 1.00 0.00 C ATOM 502 CG GLN A 35 5.654 -7.828 9.887 1.00 0.00 C ATOM 503 CD GLN A 35 4.617 -8.394 8.915 1.00 0.00 C ATOM 504 OE1 GLN A 35 4.924 -8.807 7.809 1.00 0.00 O ATOM 505 NE2 GLN A 35 3.373 -8.388 9.388 1.00 0.00 N ATOM 0 H GLN A 35 4.567 -5.448 10.595 1.00 0.00 H new ATOM 0 HA GLN A 35 7.257 -6.056 11.146 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.703 -6.146 8.537 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.267 -6.892 8.803 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.399 -8.591 10.114 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.170 -7.564 10.828 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.185 -8.028 10.324 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.608 -8.744 8.815 1.00 0.00 H new ATOM 512 N SER A 36 6.725 -3.504 9.139 1.00 0.00 N ATOM 513 CA SER A 36 7.347 -2.334 8.544 1.00 0.00 C ATOM 514 C SER A 36 7.636 -1.288 9.623 1.00 0.00 C ATOM 515 O SER A 36 8.507 -0.438 9.449 1.00 0.00 O ATOM 516 CB SER A 36 6.461 -1.736 7.448 1.00 0.00 C ATOM 517 OG SER A 36 7.207 -1.402 6.281 1.00 0.00 O ATOM 0 H SER A 36 5.719 -3.576 8.987 1.00 0.00 H new ATOM 0 HA SER A 36 8.287 -2.643 8.086 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.678 -2.448 7.186 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.966 -0.843 7.829 1.00 0.00 H new ATOM 0 HG SER A 36 6.606 -1.025 5.605 1.00 0.00 H new ATOM 522 N LEU A 37 6.889 -1.387 10.712 1.00 0.00 N ATOM 523 CA LEU A 37 7.053 -0.460 11.819 1.00 0.00 C ATOM 524 C LEU A 37 8.539 -0.347 12.167 1.00 0.00 C ATOM 525 O LEU A 37 9.005 0.714 12.577 1.00 0.00 O ATOM 526 CB LEU A 37 6.175 -0.875 13.000 1.00 0.00 C ATOM 527 CG LEU A 37 5.100 0.128 13.422 1.00 0.00 C ATOM 528 CD1 LEU A 37 5.638 1.559 13.377 1.00 0.00 C ATOM 529 CD2 LEU A 37 3.835 -0.035 12.576 1.00 0.00 C ATOM 0 H LEU A 37 6.168 -2.095 10.852 1.00 0.00 H new ATOM 0 HA LEU A 37 6.714 0.536 11.535 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.687 -1.817 12.751 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.821 -1.068 13.857 1.00 0.00 H new ATOM 0 HG LEU A 37 4.825 -0.081 14.456 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.854 2.252 13.681 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.486 1.650 14.055 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.958 1.796 12.362 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.087 0.690 12.897 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.075 0.132 11.526 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.440 -1.043 12.702 1.00 0.00 H new ATOM 540 N GLU A 38 9.241 -1.457 11.991 1.00 0.00 N ATOM 541 CA GLU A 38 10.664 -1.497 12.281 1.00 0.00 C ATOM 542 C GLU A 38 11.318 -2.685 11.573 1.00 0.00 C ATOM 543 O GLU A 38 11.616 -3.699 12.201 1.00 0.00 O ATOM 544 CB GLU A 38 10.915 -1.552 13.790 1.00 0.00 C ATOM 545 CG GLU A 38 10.438 -0.269 14.472 1.00 0.00 C ATOM 546 CD GLU A 38 11.019 -0.149 15.882 1.00 0.00 C ATOM 547 OE1 GLU A 38 12.218 -0.396 16.081 1.00 0.00 O ATOM 548 OE2 GLU A 38 10.179 0.217 16.790 1.00 0.00 O ATOM 0 H GLU A 38 8.850 -2.336 11.651 1.00 0.00 H new ATOM 0 HA GLU A 38 11.117 -0.580 11.903 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.396 -2.410 14.218 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.979 -1.695 13.980 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.735 0.595 13.878 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.349 -0.263 14.522 1.00 0.00 H new ATOM 554 N LYS A 39 11.521 -2.520 10.274 1.00 0.00 N ATOM 555 CA LYS A 39 12.134 -3.566 9.473 1.00 0.00 C ATOM 556 C LYS A 39 13.610 -3.694 9.854 1.00 0.00 C ATOM 557 O LYS A 39 14.098 -4.795 10.103 1.00 0.00 O ATOM 558 CB LYS A 39 11.902 -3.305 7.983 1.00 0.00 C ATOM 559 CG LYS A 39 12.419 -4.470 7.137 1.00 0.00 C ATOM 560 CD LYS A 39 11.322 -5.513 6.912 1.00 0.00 C ATOM 561 CE LYS A 39 11.483 -6.694 7.872 1.00 0.00 C ATOM 562 NZ LYS A 39 10.487 -7.746 7.570 1.00 0.00 N ATOM 0 H LYS A 39 11.272 -1.677 9.756 1.00 0.00 H new ATOM 0 HA LYS A 39 11.667 -4.529 9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.838 -3.159 7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.406 -2.385 7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.774 -4.097 6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.271 -4.934 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.344 -5.054 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.359 -5.869 5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.490 -7.103 7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.361 -6.354 8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.610 -8.540 8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.528 -7.356 7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.622 -8.082 6.595 1.00 0.00 H new ATOM 571 N ASP A 40 14.281 -2.552 9.886 1.00 0.00 N ATOM 572 CA ASP A 40 15.692 -2.523 10.232 1.00 0.00 C ATOM 573 C ASP A 40 16.288 -1.176 9.813 1.00 0.00 C ATOM 574 O ASP A 40 16.233 -0.208 10.570 1.00 0.00 O ATOM 575 CB ASP A 40 16.461 -3.626 9.503 1.00 0.00 C ATOM 576 CG ASP A 40 16.586 -4.943 10.270 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.402 -6.032 9.705 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.890 -4.820 11.518 1.00 0.00 O ATOM 0 H ASP A 40 13.874 -1.640 9.678 1.00 0.00 H new ATOM 0 HA ASP A 40 15.778 -2.674 11.308 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.968 -3.823 8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.462 -3.260 9.274 1.00 0.00 H new ATOM 583 N ASP A 41 16.842 -1.159 8.610 1.00 0.00 N ATOM 584 CA ASP A 41 17.447 0.052 8.083 1.00 0.00 C ATOM 585 C ASP A 41 16.348 0.978 7.555 1.00 0.00 C ATOM 586 O ASP A 41 15.557 1.513 8.330 1.00 0.00 O ATOM 587 CB ASP A 41 18.394 -0.265 6.923 1.00 0.00 C ATOM 588 CG ASP A 41 19.054 0.954 6.275 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.629 1.811 6.964 1.00 0.00 O ATOM 590 OD2 ASP A 41 18.959 1.007 4.990 1.00 0.00 O ATOM 0 H ASP A 41 16.885 -1.964 7.985 1.00 0.00 H new ATOM 0 HA ASP A 41 18.008 0.526 8.888 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.176 -0.933 7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.839 -0.808 6.158 1.00 0.00 H new ATOM 595 N ILE A 42 16.334 1.138 6.240 1.00 0.00 N ATOM 596 CA ILE A 42 15.346 1.989 5.600 1.00 0.00 C ATOM 597 C ILE A 42 15.023 1.434 4.211 1.00 0.00 C ATOM 598 O ILE A 42 15.545 1.918 3.209 1.00 0.00 O ATOM 599 CB ILE A 42 15.819 3.444 5.585 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.425 4.162 6.877 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.308 4.175 4.344 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.915 4.076 7.112 1.00 0.00 C ATOM 0 H ILE A 42 16.992 0.692 5.600 1.00 0.00 H new ATOM 0 HA ILE A 42 14.417 1.986 6.170 1.00 0.00 H new ATOM 0 HB ILE A 42 16.908 3.448 5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.954 3.718 7.720 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.730 5.207 6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.659 5.207 4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.682 3.678 3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.218 4.163 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.661 4.594 8.037 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.390 4.542 6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.618 3.030 7.188 1.00 0.00 H new ATOM 613 N ARG A 43 14.163 0.426 4.198 1.00 0.00 N ATOM 614 CA ARG A 43 13.764 -0.201 2.949 1.00 0.00 C ATOM 615 C ARG A 43 12.659 0.615 2.275 1.00 0.00 C ATOM 616 O ARG A 43 12.350 1.725 2.708 1.00 0.00 O ATOM 617 CB ARG A 43 13.265 -1.628 3.183 1.00 0.00 C ATOM 618 CG ARG A 43 11.736 -1.683 3.164 1.00 0.00 C ATOM 619 CD ARG A 43 11.135 -0.514 3.948 1.00 0.00 C ATOM 620 NE ARG A 43 10.322 -1.025 5.075 1.00 0.00 N ATOM 621 CZ ARG A 43 10.227 -0.416 6.276 1.00 0.00 C ATOM 622 NH1 ARG A 43 10.896 0.732 6.517 1.00 0.00 N ATOM 623 NH2 ARG A 43 9.472 -0.962 7.211 1.00 0.00 N ATOM 0 H ARG A 43 13.731 0.028 5.032 1.00 0.00 H new ATOM 0 HA ARG A 43 14.640 -0.237 2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.666 -2.288 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.634 -1.994 4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.380 -1.656 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.397 -2.626 3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.930 0.129 4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.516 0.096 3.290 1.00 0.00 H new ATOM 0 HE ARG A 43 9.801 -1.891 4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.478 1.145 5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.819 1.186 7.427 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.972 -1.830 7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.389 -0.516 8.124 1.00 0.00 H new ATOM 633 N HIS A 44 12.093 0.034 1.227 1.00 0.00 N ATOM 634 CA HIS A 44 11.030 0.694 0.489 1.00 0.00 C ATOM 635 C HIS A 44 9.838 -0.255 0.351 1.00 0.00 C ATOM 636 O HIS A 44 9.988 -1.470 0.474 1.00 0.00 O ATOM 637 CB HIS A 44 11.540 1.205 -0.859 1.00 0.00 C ATOM 638 CG HIS A 44 12.534 2.336 -0.752 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.335 3.434 0.066 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.738 2.526 -1.365 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.377 4.243 -0.058 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.245 3.678 -0.946 1.00 0.00 N ATOM 0 H HIS A 44 12.351 -0.887 0.872 1.00 0.00 H new ATOM 0 HA HIS A 44 10.691 1.572 1.039 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.003 0.378 -1.398 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.690 1.537 -1.455 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.200 1.853 -2.072 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.515 5.184 0.454 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.137 4.076 -1.239 1.00 0.00 H new ATOM 649 N ILE A 45 8.679 0.336 0.098 1.00 0.00 N ATOM 650 CA ILE A 45 7.460 -0.441 -0.058 1.00 0.00 C ATOM 651 C ILE A 45 7.042 -0.435 -1.530 1.00 0.00 C ATOM 652 O ILE A 45 7.477 0.420 -2.299 1.00 0.00 O ATOM 653 CB ILE A 45 6.375 0.068 0.892 1.00 0.00 C ATOM 654 CG1 ILE A 45 6.093 1.553 0.658 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.741 -0.223 2.349 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.506 1.974 -0.755 1.00 0.00 C ATOM 0 H ILE A 45 8.558 1.344 -0.003 1.00 0.00 H new ATOM 0 HA ILE A 45 7.632 -1.481 0.221 1.00 0.00 H new ATOM 0 HB ILE A 45 5.453 -0.472 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.032 1.753 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.635 2.150 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.953 0.149 3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.851 -1.298 2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.680 0.273 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.295 3.034 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.573 1.795 -0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.945 1.393 -1.487 1.00 0.00 H new ATOM 667 N VAL A 46 6.202 -1.399 -1.877 1.00 0.00 N ATOM 668 CA VAL A 46 5.720 -1.516 -3.242 1.00 0.00 C ATOM 669 C VAL A 46 4.404 -2.297 -3.249 1.00 0.00 C ATOM 670 O VAL A 46 4.396 -3.504 -3.486 1.00 0.00 O ATOM 671 CB VAL A 46 6.796 -2.150 -4.125 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.168 -2.998 -5.233 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.725 -1.084 -4.710 1.00 0.00 C ATOM 0 H VAL A 46 5.843 -2.106 -1.236 1.00 0.00 H new ATOM 0 HA VAL A 46 5.515 -0.530 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 46 7.396 -2.810 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.955 -3.437 -5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.569 -3.793 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.531 -2.369 -5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.480 -1.562 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.144 -0.387 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.213 -0.542 -3.900 1.00 0.00 H new ATOM 683 N LEU A 47 3.324 -1.577 -2.986 1.00 0.00 N ATOM 684 CA LEU A 47 2.005 -2.187 -2.959 1.00 0.00 C ATOM 685 C LEU A 47 1.455 -2.265 -4.384 1.00 0.00 C ATOM 686 O LEU A 47 1.827 -1.466 -5.242 1.00 0.00 O ATOM 687 CB LEU A 47 1.090 -1.442 -1.986 1.00 0.00 C ATOM 688 CG LEU A 47 1.485 -1.509 -0.509 1.00 0.00 C ATOM 689 CD1 LEU A 47 1.101 -2.858 0.101 1.00 0.00 C ATOM 690 CD2 LEU A 47 2.970 -1.196 -0.324 1.00 0.00 C ATOM 0 H LEU A 47 3.335 -0.576 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 47 2.065 -3.209 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.052 -0.394 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.081 -1.840 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 47 0.926 -0.743 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.393 -2.879 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.023 -3.000 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.613 -3.658 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.224 -1.250 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.566 -1.921 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.180 -0.193 -0.696 1.00 0.00 H new ATOM 701 N ASN A 48 0.578 -3.236 -4.593 1.00 0.00 N ATOM 702 CA ASN A 48 -0.028 -3.429 -5.900 1.00 0.00 C ATOM 703 C ASN A 48 -0.956 -4.645 -5.852 1.00 0.00 C ATOM 704 O ASN A 48 -0.495 -5.776 -5.708 1.00 0.00 O ATOM 705 CB ASN A 48 1.037 -3.688 -6.968 1.00 0.00 C ATOM 706 CG ASN A 48 2.022 -4.766 -6.510 1.00 0.00 C ATOM 707 OD1 ASN A 48 1.929 -5.305 -5.420 1.00 0.00 O ATOM 708 ND2 ASN A 48 2.967 -5.048 -7.402 1.00 0.00 N ATOM 0 H ASN A 48 0.272 -3.898 -3.879 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.580 -2.524 -6.153 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.558 -3.999 -7.896 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.576 -2.765 -7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.672 -5.754 -7.192 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.986 -4.558 -8.297 1.00 0.00 H new ATOM 714 N LEU A 49 -2.246 -4.370 -5.977 1.00 0.00 N ATOM 715 CA LEU A 49 -3.243 -5.427 -5.950 1.00 0.00 C ATOM 716 C LEU A 49 -3.850 -5.584 -7.345 1.00 0.00 C ATOM 717 O LEU A 49 -4.360 -4.620 -7.915 1.00 0.00 O ATOM 718 CB LEU A 49 -4.276 -5.162 -4.854 1.00 0.00 C ATOM 719 CG LEU A 49 -5.654 -4.696 -5.331 1.00 0.00 C ATOM 720 CD1 LEU A 49 -6.769 -5.397 -4.553 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.773 -3.172 -5.257 1.00 0.00 C ATOM 0 H LEU A 49 -2.624 -3.430 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.781 -6.381 -5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.404 -6.076 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.873 -4.408 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.767 -4.977 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.738 -5.048 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.694 -6.474 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.671 -5.169 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.761 -2.867 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.631 -2.846 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.012 -2.716 -5.890 1.00 0.00 H new ATOM 732 N GLU A 50 -3.778 -6.805 -7.854 1.00 0.00 N ATOM 733 CA GLU A 50 -4.314 -7.101 -9.171 1.00 0.00 C ATOM 734 C GLU A 50 -5.731 -7.666 -9.053 1.00 0.00 C ATOM 735 O GLU A 50 -6.510 -7.603 -10.002 1.00 0.00 O ATOM 736 CB GLU A 50 -3.401 -8.064 -9.933 1.00 0.00 C ATOM 737 CG GLU A 50 -2.970 -7.466 -11.274 1.00 0.00 C ATOM 738 CD GLU A 50 -1.534 -6.945 -11.205 1.00 0.00 C ATOM 739 OE1 GLU A 50 -1.083 -6.508 -10.137 1.00 0.00 O ATOM 740 OE2 GLU A 50 -0.879 -7.006 -12.315 1.00 0.00 O ATOM 0 H GLU A 50 -3.356 -7.602 -7.377 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.360 -6.172 -9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.520 -8.289 -9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.921 -9.007 -10.102 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.049 -8.222 -12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.643 -6.653 -11.547 1.00 0.00 H new ATOM 746 N ASP A 51 -6.021 -8.206 -7.878 1.00 0.00 N ATOM 747 CA ASP A 51 -7.331 -8.782 -7.622 1.00 0.00 C ATOM 748 C ASP A 51 -8.147 -7.819 -6.758 1.00 0.00 C ATOM 749 O ASP A 51 -8.525 -8.154 -5.636 1.00 0.00 O ATOM 750 CB ASP A 51 -7.211 -10.108 -6.869 1.00 0.00 C ATOM 751 CG ASP A 51 -8.540 -10.715 -6.414 1.00 0.00 C ATOM 752 OD1 ASP A 51 -8.569 -11.762 -5.749 1.00 0.00 O ATOM 753 OD2 ASP A 51 -9.590 -10.059 -6.773 1.00 0.00 O ATOM 0 H ASP A 51 -5.372 -8.257 -7.093 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.817 -8.955 -8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.700 -10.827 -7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.580 -9.956 -5.994 1.00 0.00 H new ATOM 758 N LEU A 52 -8.396 -6.642 -7.314 1.00 0.00 N ATOM 759 CA LEU A 52 -9.162 -5.628 -6.608 1.00 0.00 C ATOM 760 C LEU A 52 -10.655 -5.903 -6.793 1.00 0.00 C ATOM 761 O LEU A 52 -11.198 -5.704 -7.879 1.00 0.00 O ATOM 762 CB LEU A 52 -8.734 -4.228 -7.054 1.00 0.00 C ATOM 763 CG LEU A 52 -9.478 -3.061 -6.402 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.985 -3.167 -6.645 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.144 -2.960 -4.912 1.00 0.00 C ATOM 0 H LEU A 52 -8.081 -6.368 -8.245 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.960 -5.673 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.669 -4.113 -6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.862 -4.157 -8.134 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.140 -2.137 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.490 -2.325 -6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.183 -3.152 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.357 -4.099 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.686 -2.122 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.435 -3.883 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.072 -2.803 -4.789 1.00 0.00 H new ATOM 776 N SER A 53 -11.278 -6.355 -5.715 1.00 0.00 N ATOM 777 CA SER A 53 -12.700 -6.659 -5.744 1.00 0.00 C ATOM 778 C SER A 53 -13.473 -5.625 -4.922 1.00 0.00 C ATOM 779 O SER A 53 -13.916 -4.610 -5.455 1.00 0.00 O ATOM 780 CB SER A 53 -12.973 -8.068 -5.216 1.00 0.00 C ATOM 781 OG SER A 53 -14.253 -8.169 -4.599 1.00 0.00 O ATOM 0 H SER A 53 -10.825 -6.518 -4.816 1.00 0.00 H new ATOM 0 HA SER A 53 -13.038 -6.617 -6.780 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.910 -8.781 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.201 -8.341 -4.496 1.00 0.00 H new ATOM 0 HG SER A 53 -14.389 -9.084 -4.277 1.00 0.00 H new ATOM 786 N PHE A 54 -13.610 -5.921 -3.638 1.00 0.00 N ATOM 787 CA PHE A 54 -14.322 -5.030 -2.738 1.00 0.00 C ATOM 788 C PHE A 54 -13.523 -3.750 -2.487 1.00 0.00 C ATOM 789 O PHE A 54 -13.804 -2.711 -3.083 1.00 0.00 O ATOM 790 CB PHE A 54 -14.495 -5.777 -1.413 1.00 0.00 C ATOM 791 CG PHE A 54 -15.200 -4.963 -0.327 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.446 -4.467 -0.550 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.579 -4.734 0.862 1.00 0.00 C ATOM 794 CE1 PHE A 54 -17.101 -3.712 0.458 1.00 0.00 C ATOM 795 CE2 PHE A 54 -15.233 -3.978 1.870 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.480 -3.483 1.647 1.00 0.00 C ATOM 0 H PHE A 54 -13.240 -6.765 -3.200 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.280 -4.748 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.062 -6.690 -1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.514 -6.079 -1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.938 -4.647 -1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.589 -5.127 1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -18.092 -3.320 0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.740 -3.796 2.814 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.978 -2.908 2.414 1.00 0.00 H new ATOM 805 N MET A 55 -12.542 -3.866 -1.605 1.00 0.00 N ATOM 806 CA MET A 55 -11.699 -2.731 -1.268 1.00 0.00 C ATOM 807 C MET A 55 -12.540 -1.475 -1.030 1.00 0.00 C ATOM 808 O MET A 55 -12.763 -0.691 -1.951 1.00 0.00 O ATOM 809 CB MET A 55 -10.709 -2.475 -2.406 1.00 0.00 C ATOM 810 CG MET A 55 -9.878 -1.218 -2.137 1.00 0.00 C ATOM 811 SD MET A 55 -8.885 -1.444 -0.671 1.00 0.00 S ATOM 812 CE MET A 55 -10.151 -1.322 0.582 1.00 0.00 C ATOM 0 H MET A 55 -12.311 -4.729 -1.113 1.00 0.00 H new ATOM 0 HA MET A 55 -11.159 -2.963 -0.350 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.049 -3.335 -2.519 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.250 -2.363 -3.346 1.00 0.00 H new ATOM 0 HG2 MET A 55 -9.236 -1.007 -2.992 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.535 -0.358 -2.012 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.706 -0.982 1.517 1.00 0.00 H new ATOM 0 HE2 MET A 55 -10.912 -0.610 0.262 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.609 -2.299 0.733 1.00 0.00 H new ATOM 820 N ASP A 56 -12.984 -1.324 0.209 1.00 0.00 N ATOM 821 CA ASP A 56 -13.796 -0.178 0.578 1.00 0.00 C ATOM 822 C ASP A 56 -13.003 0.717 1.532 1.00 0.00 C ATOM 823 O ASP A 56 -11.783 0.829 1.415 1.00 0.00 O ATOM 824 CB ASP A 56 -15.075 -0.616 1.294 1.00 0.00 C ATOM 825 CG ASP A 56 -16.269 0.323 1.117 1.00 0.00 C ATOM 826 OD1 ASP A 56 -16.677 0.634 -0.012 1.00 0.00 O ATOM 827 OD2 ASP A 56 -16.797 0.749 2.215 1.00 0.00 O ATOM 0 H ASP A 56 -12.796 -1.977 0.970 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.059 0.356 -0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.354 -1.606 0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.863 -0.712 2.359 1.00 0.00 H new ATOM 832 N SER A 57 -13.726 1.331 2.456 1.00 0.00 N ATOM 833 CA SER A 57 -13.105 2.213 3.431 1.00 0.00 C ATOM 834 C SER A 57 -12.768 1.431 4.702 1.00 0.00 C ATOM 835 O SER A 57 -12.704 2.004 5.789 1.00 0.00 O ATOM 836 CB SER A 57 -14.015 3.397 3.761 1.00 0.00 C ATOM 837 OG SER A 57 -15.394 3.039 3.716 1.00 0.00 O ATOM 0 H SER A 57 -14.737 1.236 2.551 1.00 0.00 H new ATOM 0 HA SER A 57 -12.185 2.607 3.000 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.771 3.776 4.753 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.827 4.206 3.055 1.00 0.00 H new ATOM 0 HG SER A 57 -15.942 3.821 3.934 1.00 0.00 H new ATOM 842 N SER A 58 -12.560 0.134 4.525 1.00 0.00 N ATOM 843 CA SER A 58 -12.231 -0.731 5.645 1.00 0.00 C ATOM 844 C SER A 58 -10.713 -0.804 5.820 1.00 0.00 C ATOM 845 O SER A 58 -10.195 -0.522 6.899 1.00 0.00 O ATOM 846 CB SER A 58 -12.812 -2.133 5.447 1.00 0.00 C ATOM 847 OG SER A 58 -13.700 -2.190 4.333 1.00 0.00 O ATOM 0 H SER A 58 -12.613 -0.338 3.623 1.00 0.00 H new ATOM 0 HA SER A 58 -12.674 -0.308 6.547 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.000 -2.845 5.300 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.342 -2.437 6.350 1.00 0.00 H new ATOM 0 HG SER A 58 -14.470 -2.754 4.557 1.00 0.00 H new ATOM 852 N GLY A 59 -10.043 -1.186 4.743 1.00 0.00 N ATOM 853 CA GLY A 59 -8.595 -1.300 4.764 1.00 0.00 C ATOM 854 C GLY A 59 -7.933 0.045 4.460 1.00 0.00 C ATOM 855 O GLY A 59 -6.714 0.176 4.551 1.00 0.00 O ATOM 0 H GLY A 59 -10.476 -1.421 3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.269 -1.657 5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.275 -2.041 4.031 1.00 0.00 H new ATOM 859 N LEU A 60 -8.768 1.012 4.105 1.00 0.00 N ATOM 860 CA LEU A 60 -8.280 2.343 3.787 1.00 0.00 C ATOM 861 C LEU A 60 -7.373 2.832 4.918 1.00 0.00 C ATOM 862 O LEU A 60 -6.319 3.413 4.666 1.00 0.00 O ATOM 863 CB LEU A 60 -9.447 3.284 3.484 1.00 0.00 C ATOM 864 CG LEU A 60 -9.355 4.067 2.173 1.00 0.00 C ATOM 865 CD1 LEU A 60 -8.504 5.327 2.347 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.839 3.179 1.039 1.00 0.00 C ATOM 0 H LEU A 60 -9.779 0.899 4.031 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.676 2.321 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.366 2.698 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.535 3.997 4.304 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.358 4.391 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.454 5.866 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.953 5.967 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.498 5.046 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.783 3.760 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.847 2.805 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.519 2.339 0.897 1.00 0.00 H new ATOM 877 N GLY A 61 -7.816 2.579 6.140 1.00 0.00 N ATOM 878 CA GLY A 61 -7.059 2.987 7.311 1.00 0.00 C ATOM 879 C GLY A 61 -5.904 2.019 7.581 1.00 0.00 C ATOM 880 O GLY A 61 -4.844 2.428 8.052 1.00 0.00 O ATOM 0 H GLY A 61 -8.691 2.096 6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.668 3.994 7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.717 3.025 8.179 1.00 0.00 H new ATOM 884 N VAL A 62 -6.149 0.755 7.270 1.00 0.00 N ATOM 885 CA VAL A 62 -5.143 -0.274 7.473 1.00 0.00 C ATOM 886 C VAL A 62 -3.959 -0.016 6.539 1.00 0.00 C ATOM 887 O VAL A 62 -2.843 -0.454 6.810 1.00 0.00 O ATOM 888 CB VAL A 62 -5.765 -1.659 7.282 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.250 -2.319 6.002 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.508 -2.549 8.500 1.00 0.00 C ATOM 0 H VAL A 62 -7.029 0.420 6.879 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.764 -0.241 8.494 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.843 -1.531 7.183 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.708 -3.302 5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.508 -1.699 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.167 -2.427 6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.961 -3.527 8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.434 -2.666 8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.946 -2.089 9.386 1.00 0.00 H new ATOM 900 N ILE A 63 -4.245 0.695 5.457 1.00 0.00 N ATOM 901 CA ILE A 63 -3.218 1.017 4.481 1.00 0.00 C ATOM 902 C ILE A 63 -2.659 2.410 4.777 1.00 0.00 C ATOM 903 O ILE A 63 -1.485 2.679 4.523 1.00 0.00 O ATOM 904 CB ILE A 63 -3.762 0.861 3.060 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.771 -0.610 2.635 1.00 0.00 C ATOM 906 CG2 ILE A 63 -2.986 1.737 2.076 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.160 -1.032 2.153 1.00 0.00 C ATOM 0 H ILE A 63 -5.173 1.057 5.235 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.386 0.317 4.557 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.796 1.206 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.043 -0.767 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.467 -1.237 3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.393 1.607 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.075 2.783 2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.935 1.447 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.139 -2.081 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.881 -0.897 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.450 -0.420 1.299 1.00 0.00 H new ATOM 918 N LEU A 64 -3.525 3.260 5.308 1.00 0.00 N ATOM 919 CA LEU A 64 -3.133 4.619 5.640 1.00 0.00 C ATOM 920 C LEU A 64 -2.252 4.600 6.890 1.00 0.00 C ATOM 921 O LEU A 64 -1.418 5.484 7.080 1.00 0.00 O ATOM 922 CB LEU A 64 -4.365 5.517 5.769 1.00 0.00 C ATOM 923 CG LEU A 64 -4.091 7.002 6.011 1.00 0.00 C ATOM 924 CD1 LEU A 64 -2.848 7.461 5.247 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.320 7.849 5.670 1.00 0.00 C ATOM 0 H LEU A 64 -4.497 3.034 5.517 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.537 5.050 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.957 5.421 4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.978 5.143 6.589 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.887 7.144 7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.675 8.520 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.983 6.887 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.998 7.303 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.099 8.901 5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.579 7.708 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.158 7.542 6.295 1.00 0.00 H new ATOM 936 N GLY A 65 -2.466 3.582 7.711 1.00 0.00 N ATOM 937 CA GLY A 65 -1.702 3.437 8.938 1.00 0.00 C ATOM 938 C GLY A 65 -0.263 3.009 8.640 1.00 0.00 C ATOM 939 O GLY A 65 0.604 3.087 9.509 1.00 0.00 O ATOM 0 H GLY A 65 -3.158 2.850 7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.699 4.381 9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.179 2.699 9.583 1.00 0.00 H new ATOM 943 N ARG A 66 -0.054 2.567 7.409 1.00 0.00 N ATOM 944 CA ARG A 66 1.265 2.127 6.986 1.00 0.00 C ATOM 945 C ARG A 66 2.045 3.296 6.381 1.00 0.00 C ATOM 946 O ARG A 66 3.261 3.384 6.542 1.00 0.00 O ATOM 947 CB ARG A 66 1.165 1.001 5.954 1.00 0.00 C ATOM 948 CG ARG A 66 1.831 -0.276 6.469 1.00 0.00 C ATOM 949 CD ARG A 66 1.720 -1.405 5.443 1.00 0.00 C ATOM 950 NE ARG A 66 0.423 -1.321 4.735 1.00 0.00 N ATOM 951 CZ ARG A 66 0.231 -0.643 3.583 1.00 0.00 C ATOM 952 NH1 ARG A 66 1.254 0.018 2.998 1.00 0.00 N ATOM 953 NH2 ARG A 66 -0.970 -0.636 3.038 1.00 0.00 N ATOM 0 H ARG A 66 -0.776 2.504 6.691 1.00 0.00 H new ATOM 0 HA ARG A 66 1.788 1.753 7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.117 0.803 5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.639 1.313 5.023 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.881 -0.080 6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.363 -0.583 7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.539 -1.339 4.727 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.810 -2.370 5.941 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.376 -1.806 5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.180 0.007 3.426 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.101 0.528 2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.737 -1.138 3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.132 -0.129 2.168 1.00 0.00 H new ATOM 963 N TYR A 67 1.314 4.164 5.698 1.00 0.00 N ATOM 964 CA TYR A 67 1.923 5.324 5.068 1.00 0.00 C ATOM 965 C TYR A 67 2.589 6.227 6.110 1.00 0.00 C ATOM 966 O TYR A 67 3.733 6.643 5.935 1.00 0.00 O ATOM 967 CB TYR A 67 0.779 6.092 4.403 1.00 0.00 C ATOM 968 CG TYR A 67 1.170 6.778 3.093 1.00 0.00 C ATOM 969 CD1 TYR A 67 1.793 8.009 3.117 1.00 0.00 C ATOM 970 CD2 TYR A 67 0.899 6.167 1.886 1.00 0.00 C ATOM 971 CE1 TYR A 67 2.162 8.654 1.885 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.267 6.812 0.653 1.00 0.00 C ATOM 973 CZ TYR A 67 1.880 8.024 0.713 1.00 0.00 C ATOM 974 OH TYR A 67 2.228 8.634 -0.452 1.00 0.00 O ATOM 0 H TYR A 67 0.305 4.088 5.567 1.00 0.00 H new ATOM 0 HA TYR A 67 2.689 5.016 4.357 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.043 5.403 4.209 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.407 6.844 5.099 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.004 8.489 4.061 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.410 5.204 1.866 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.652 9.617 1.891 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.061 6.344 -0.298 1.00 0.00 H new ATOM 0 HH TYR A 67 3.116 8.326 -0.730 1.00 0.00 H new ATOM 983 N LYS A 68 1.844 6.501 7.171 1.00 0.00 N ATOM 984 CA LYS A 68 2.347 7.347 8.240 1.00 0.00 C ATOM 985 C LYS A 68 3.337 6.549 9.091 1.00 0.00 C ATOM 986 O LYS A 68 3.971 7.099 9.991 1.00 0.00 O ATOM 987 CB LYS A 68 1.189 7.944 9.042 1.00 0.00 C ATOM 988 CG LYS A 68 -0.035 8.168 8.151 1.00 0.00 C ATOM 989 CD LYS A 68 -0.648 9.548 8.400 1.00 0.00 C ATOM 990 CE LYS A 68 -1.004 9.733 9.876 1.00 0.00 C ATOM 991 NZ LYS A 68 -0.083 10.699 10.514 1.00 0.00 N ATOM 0 H LYS A 68 0.896 6.152 7.313 1.00 0.00 H new ATOM 0 HA LYS A 68 2.891 8.198 7.829 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.928 7.277 9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.499 8.890 9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.252 8.077 7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.778 7.395 8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.054 10.323 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.543 9.668 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.031 10.086 9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.950 8.774 10.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.596 11.243 11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.704 10.186 10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.292 11.349 9.794 1.00 0.00 H new ATOM 1000 N GLN A 69 3.440 5.266 8.776 1.00 0.00 N ATOM 1001 CA GLN A 69 4.341 4.387 9.502 1.00 0.00 C ATOM 1002 C GLN A 69 5.661 4.236 8.741 1.00 0.00 C ATOM 1003 O GLN A 69 6.735 4.406 9.316 1.00 0.00 O ATOM 1004 CB GLN A 69 3.694 3.024 9.752 1.00 0.00 C ATOM 1005 CG GLN A 69 4.757 1.937 9.930 1.00 0.00 C ATOM 1006 CD GLN A 69 4.810 1.017 8.709 1.00 0.00 C ATOM 1007 OE1 GLN A 69 5.462 1.295 7.716 1.00 0.00 O ATOM 1008 NE2 GLN A 69 4.087 -0.092 8.835 1.00 0.00 N ATOM 0 H GLN A 69 2.914 4.814 8.028 1.00 0.00 H new ATOM 0 HA GLN A 69 4.552 4.836 10.473 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.066 3.073 10.642 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.043 2.768 8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.732 2.399 10.084 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.537 1.351 10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.564 -0.265 9.693 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.056 -0.770 8.073 1.00 0.00 H new ATOM 1090 N GLY A 75 11.425 6.248 5.098 1.00 0.00 N ATOM 1091 CA GLY A 75 11.276 5.853 3.707 1.00 0.00 C ATOM 1092 C GLY A 75 10.059 6.530 3.073 1.00 0.00 C ATOM 1093 O GLY A 75 9.839 7.726 3.263 1.00 0.00 O ATOM 0 HA2 GLY A 75 12.175 6.119 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.169 4.770 3.642 1.00 0.00 H new ATOM 1097 N GLU A 76 9.299 5.736 2.332 1.00 0.00 N ATOM 1098 CA GLU A 76 8.110 6.243 1.670 1.00 0.00 C ATOM 1099 C GLU A 76 7.121 5.104 1.409 1.00 0.00 C ATOM 1100 O GLU A 76 7.520 3.947 1.289 1.00 0.00 O ATOM 1101 CB GLU A 76 8.472 6.962 0.369 1.00 0.00 C ATOM 1102 CG GLU A 76 9.977 7.225 0.288 1.00 0.00 C ATOM 1103 CD GLU A 76 10.332 8.578 0.910 1.00 0.00 C ATOM 1104 OE1 GLU A 76 11.492 8.801 1.287 1.00 0.00 O ATOM 1105 OE2 GLU A 76 9.353 9.414 0.992 1.00 0.00 O ATOM 0 H GLU A 76 9.484 4.745 2.176 1.00 0.00 H new ATOM 0 HA GLU A 76 7.633 6.969 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.158 6.359 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.931 7.906 0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.517 6.431 0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.298 7.204 -0.753 1.00 0.00 H new ATOM 1111 N MET A 77 5.851 5.473 1.330 1.00 0.00 N ATOM 1112 CA MET A 77 4.803 4.497 1.087 1.00 0.00 C ATOM 1113 C MET A 77 4.177 4.698 -0.295 1.00 0.00 C ATOM 1114 O MET A 77 3.756 5.803 -0.634 1.00 0.00 O ATOM 1115 CB MET A 77 3.721 4.630 2.161 1.00 0.00 C ATOM 1116 CG MET A 77 3.308 3.257 2.695 1.00 0.00 C ATOM 1117 SD MET A 77 1.569 2.985 2.398 1.00 0.00 S ATOM 1118 CE MET A 77 1.530 3.144 0.619 1.00 0.00 C ATOM 0 H MET A 77 5.524 6.434 1.430 1.00 0.00 H new ATOM 0 HA MET A 77 5.244 3.501 1.125 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.090 5.247 2.980 1.00 0.00 H new ATOM 0 HB3 MET A 77 2.852 5.139 1.745 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.895 2.477 2.209 1.00 0.00 H new ATOM 0 HG3 MET A 77 3.517 3.195 3.763 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.544 2.863 0.250 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.740 4.177 0.341 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.282 2.490 0.179 1.00 0.00 H new ATOM 1126 N VAL A 78 4.137 3.613 -1.055 1.00 0.00 N ATOM 1127 CA VAL A 78 3.569 3.657 -2.392 1.00 0.00 C ATOM 1128 C VAL A 78 2.496 2.575 -2.521 1.00 0.00 C ATOM 1129 O VAL A 78 2.594 1.519 -1.897 1.00 0.00 O ATOM 1130 CB VAL A 78 4.681 3.524 -3.436 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.098 3.250 -4.824 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.571 4.767 -3.450 1.00 0.00 C ATOM 0 H VAL A 78 4.488 2.699 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 78 3.085 4.617 -2.571 1.00 0.00 H new ATOM 0 HB VAL A 78 5.302 2.672 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.908 3.160 -5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.526 2.322 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.444 4.073 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.353 4.646 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.969 5.643 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.027 4.899 -2.469 1.00 0.00 H new ATOM 1142 N VAL A 79 1.493 2.875 -3.334 1.00 0.00 N ATOM 1143 CA VAL A 79 0.402 1.941 -3.553 1.00 0.00 C ATOM 1144 C VAL A 79 -0.238 2.222 -4.915 1.00 0.00 C ATOM 1145 O VAL A 79 -0.480 3.376 -5.265 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.596 2.022 -2.396 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.169 3.435 -2.264 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.713 0.990 -2.561 1.00 0.00 C ATOM 0 H VAL A 79 1.413 3.752 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 79 0.774 0.917 -3.573 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.061 1.790 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.875 3.465 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.359 4.140 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.681 3.708 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.408 1.069 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.245 1.176 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.283 -0.011 -2.581 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.494 1.147 -5.644 1.00 0.00 N ATOM 1159 CA CYS A 80 -1.101 1.262 -6.960 1.00 0.00 C ATOM 1160 C CYS A 80 -2.150 0.157 -7.104 1.00 0.00 C ATOM 1161 O CYS A 80 -2.488 -0.514 -6.129 1.00 0.00 O ATOM 1162 CB CYS A 80 -0.054 1.203 -8.074 1.00 0.00 C ATOM 1163 SG CYS A 80 0.509 -0.521 -8.314 1.00 0.00 S ATOM 0 H CYS A 80 -0.293 0.192 -5.349 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.583 2.235 -7.056 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.476 1.589 -9.002 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.794 1.839 -7.821 1.00 0.00 H new ATOM 0 HG CYS A 80 1.396 -0.560 -9.263 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.634 0.001 -8.327 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.638 -1.011 -8.611 1.00 0.00 C ATOM 1170 C ALA A 81 -4.991 -0.548 -8.068 1.00 0.00 C ATOM 1171 O ALA A 81 -5.750 -1.346 -7.520 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.197 -2.349 -8.014 1.00 0.00 C ATOM 0 H ALA A 81 -2.350 0.558 -9.133 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.746 -1.153 -9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.950 -3.108 -8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.246 -2.648 -8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.081 -2.245 -6.935 1.00 0.00 H new ATOM 1178 N ILE A 82 -5.252 0.739 -8.240 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.501 1.318 -7.774 1.00 0.00 C ATOM 1180 C ILE A 82 -7.662 0.734 -8.583 1.00 0.00 C ATOM 1181 O ILE A 82 -7.622 -0.429 -8.981 1.00 0.00 O ATOM 1182 CB ILE A 82 -6.432 2.846 -7.814 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -7.343 3.464 -6.752 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -6.744 3.372 -9.216 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.958 2.985 -5.351 1.00 0.00 C ATOM 0 H ILE A 82 -4.620 1.398 -8.696 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.675 1.057 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.412 3.149 -7.577 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.277 4.551 -6.799 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.380 3.199 -6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.688 4.461 -9.217 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.019 2.971 -9.925 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.747 3.060 -9.507 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.622 3.440 -4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.049 1.900 -5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.929 3.273 -5.138 1.00 0.00 H new ATOM 1196 N SER A 83 -8.668 1.569 -8.801 1.00 0.00 N ATOM 1197 CA SER A 83 -9.837 1.150 -9.554 1.00 0.00 C ATOM 1198 C SER A 83 -10.813 2.319 -9.699 1.00 0.00 C ATOM 1199 O SER A 83 -10.728 3.298 -8.959 1.00 0.00 O ATOM 1200 CB SER A 83 -10.528 -0.039 -8.883 1.00 0.00 C ATOM 1201 OG SER A 83 -10.654 -1.151 -9.766 1.00 0.00 O ATOM 0 H SER A 83 -8.697 2.533 -8.469 1.00 0.00 H new ATOM 0 HA SER A 83 -9.510 0.833 -10.544 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.960 -0.338 -8.002 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.517 0.264 -8.538 1.00 0.00 H new ATOM 0 HG SER A 83 -11.579 -1.475 -9.754 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.743 2.174 -10.680 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.735 3.206 -10.931 1.00 0.00 C ATOM 1208 C PRO A 84 -13.821 3.196 -9.853 1.00 0.00 C ATOM 1209 O PRO A 84 -14.546 4.176 -9.688 1.00 0.00 O ATOM 1210 CB PRO A 84 -13.273 2.906 -12.321 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.904 1.459 -12.606 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.875 1.028 -11.575 1.00 0.00 C ATOM 0 HA PRO A 84 -12.316 4.211 -10.890 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.353 3.049 -12.361 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.835 3.574 -13.062 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.787 0.822 -12.553 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.500 1.360 -13.613 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.204 0.140 -11.035 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.923 0.781 -12.045 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.899 2.077 -9.148 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.885 1.927 -8.091 1.00 0.00 C ATOM 1219 C ALA A 85 -14.167 1.697 -6.759 1.00 0.00 C ATOM 1220 O ALA A 85 -14.691 1.019 -5.877 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.840 0.784 -8.443 1.00 0.00 C ATOM 0 H ALA A 85 -13.296 1.266 -9.288 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.483 2.833 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -16.580 0.671 -7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -16.346 1.009 -9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -15.276 -0.143 -8.547 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.980 2.275 -6.657 1.00 0.00 N ATOM 1228 CA VAL A 86 -12.185 2.143 -5.447 1.00 0.00 C ATOM 1229 C VAL A 86 -11.401 3.435 -5.214 1.00 0.00 C ATOM 1230 O VAL A 86 -11.204 3.849 -4.072 1.00 0.00 O ATOM 1231 CB VAL A 86 -11.288 0.908 -5.544 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.842 1.251 -5.178 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.822 -0.227 -4.668 1.00 0.00 C ATOM 0 H VAL A 86 -12.549 2.836 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.829 1.993 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 86 -11.299 0.565 -6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.225 0.356 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.464 2.012 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.805 1.630 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -11.166 -1.093 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.855 0.100 -3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.826 -0.498 -4.995 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.972 4.038 -6.314 1.00 0.00 N ATOM 1244 CA LYS A 87 -10.213 5.274 -6.244 1.00 0.00 C ATOM 1245 C LYS A 87 -11.107 6.384 -5.687 1.00 0.00 C ATOM 1246 O LYS A 87 -10.611 7.409 -5.218 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.598 5.604 -7.605 1.00 0.00 C ATOM 1248 CG LYS A 87 -8.953 6.991 -7.594 1.00 0.00 C ATOM 1249 CD LYS A 87 -8.871 7.568 -9.008 1.00 0.00 C ATOM 1250 CE LYS A 87 -10.212 8.166 -9.436 1.00 0.00 C ATOM 1251 NZ LYS A 87 -10.575 7.705 -10.795 1.00 0.00 N ATOM 0 H LYS A 87 -11.136 3.692 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.372 5.167 -5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.850 4.854 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.368 5.563 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.532 7.660 -6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.953 6.928 -7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.098 8.335 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.578 6.785 -9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.989 7.877 -8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.154 9.254 -9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.488 8.120 -11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.842 8.003 -11.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.651 6.668 -10.801 1.00 0.00 H new ATOM 1260 N ARG A 88 -12.407 6.145 -5.757 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.375 7.112 -5.267 1.00 0.00 C ATOM 1262 C ARG A 88 -13.241 7.273 -3.751 1.00 0.00 C ATOM 1263 O ARG A 88 -13.653 8.289 -3.192 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.803 6.681 -5.603 1.00 0.00 C ATOM 1265 CG ARG A 88 -15.368 5.761 -4.518 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.689 4.390 -4.554 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.680 3.328 -4.274 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.353 3.207 -3.110 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.146 4.083 -2.105 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -17.216 2.217 -2.970 1.00 0.00 N ATOM 0 H ARG A 88 -12.814 5.295 -6.146 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.171 8.064 -5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.438 7.561 -5.705 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.815 6.166 -6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.224 6.217 -3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.442 5.643 -4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.234 4.226 -5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.886 4.353 -3.818 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.867 2.644 -5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.477 4.844 -2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.659 3.984 -1.229 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.365 1.559 -3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.733 2.111 -2.097 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.663 6.256 -3.128 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.471 6.273 -1.688 1.00 0.00 C ATOM 1282 C LEU A 89 -11.487 7.385 -1.322 1.00 0.00 C ATOM 1283 O LEU A 89 -11.735 8.160 -0.399 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.049 4.890 -1.188 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.178 3.975 -0.708 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -13.199 2.666 -1.501 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.084 3.732 0.799 1.00 0.00 C ATOM 0 H LEU A 89 -12.322 5.415 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.409 6.498 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.514 4.383 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.342 5.022 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.127 4.478 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.011 2.035 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.352 2.883 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.250 2.146 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.898 3.079 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.129 3.261 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.158 4.683 1.326 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.390 7.429 -2.065 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.367 8.434 -1.830 1.00 0.00 C ATOM 1300 C PHE A 90 -9.706 9.740 -2.551 1.00 0.00 C ATOM 1301 O PHE A 90 -9.239 10.809 -2.161 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.057 7.880 -2.392 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.723 6.466 -1.912 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.160 5.388 -2.615 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -6.988 6.288 -0.782 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -7.850 4.076 -2.170 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.677 4.977 -0.336 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.115 3.898 -1.039 1.00 0.00 C ATOM 0 H PHE A 90 -10.188 6.785 -2.830 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.293 8.647 -0.764 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.112 7.880 -3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.243 8.549 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.743 5.530 -3.513 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.641 7.145 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.197 3.220 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.093 4.836 0.561 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.879 2.900 -0.699 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.517 9.611 -3.591 1.00 0.00 N ATOM 1318 CA ASP A 91 -10.924 10.767 -4.371 1.00 0.00 C ATOM 1319 C ASP A 91 -11.864 11.637 -3.533 1.00 0.00 C ATOM 1320 O ASP A 91 -11.849 12.862 -3.646 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.673 10.344 -5.636 1.00 0.00 C ATOM 1322 CG ASP A 91 -11.131 10.935 -6.938 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -10.044 11.529 -6.966 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.886 10.764 -7.970 1.00 0.00 O ATOM 0 H ASP A 91 -10.903 8.723 -3.912 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.026 11.317 -4.652 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.646 9.257 -5.709 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.720 10.630 -5.533 1.00 0.00 H new ATOM 1329 N MET A 92 -12.660 10.969 -2.710 1.00 0.00 N ATOM 1330 CA MET A 92 -13.605 11.666 -1.855 1.00 0.00 C ATOM 1331 C MET A 92 -12.972 12.008 -0.504 1.00 0.00 C ATOM 1332 O MET A 92 -13.377 12.968 0.150 1.00 0.00 O ATOM 1333 CB MET A 92 -14.837 10.787 -1.632 1.00 0.00 C ATOM 1334 CG MET A 92 -15.856 11.487 -0.731 1.00 0.00 C ATOM 1335 SD MET A 92 -17.514 11.083 -1.252 1.00 0.00 S ATOM 1336 CE MET A 92 -17.796 9.614 -0.278 1.00 0.00 C ATOM 0 H MET A 92 -12.669 9.953 -2.618 1.00 0.00 H new ATOM 0 HA MET A 92 -13.894 12.595 -2.347 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.297 10.550 -2.591 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.536 9.842 -1.180 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.707 11.182 0.305 1.00 0.00 H new ATOM 0 HG3 MET A 92 -15.707 12.566 -0.770 1.00 0.00 H new ATOM 0 HE1 MET A 92 -18.794 9.228 -0.483 1.00 0.00 H new ATOM 0 HE2 MET A 92 -17.054 8.858 -0.536 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.712 9.858 0.781 1.00 0.00 H new ATOM 1344 N SER A 93 -11.989 11.203 -0.126 1.00 0.00 N ATOM 1345 CA SER A 93 -11.297 11.409 1.134 1.00 0.00 C ATOM 1346 C SER A 93 -10.519 12.724 1.096 1.00 0.00 C ATOM 1347 O SER A 93 -10.528 13.485 2.064 1.00 0.00 O ATOM 1348 CB SER A 93 -10.354 10.243 1.441 1.00 0.00 C ATOM 1349 OG SER A 93 -10.664 9.618 2.684 1.00 0.00 O ATOM 0 H SER A 93 -11.656 10.407 -0.671 1.00 0.00 H new ATOM 0 HA SER A 93 -12.042 11.459 1.928 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.415 9.507 0.640 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.326 10.605 1.464 1.00 0.00 H new ATOM 0 HG SER A 93 -10.041 8.878 2.843 1.00 0.00 H new ATOM 1354 N GLY A 94 -9.862 12.954 -0.033 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.080 14.166 -0.210 1.00 0.00 C ATOM 1356 C GLY A 94 -7.717 14.044 0.473 1.00 0.00 C ATOM 1357 O GLY A 94 -6.987 15.027 0.592 1.00 0.00 O ATOM 0 H GLY A 94 -9.856 12.322 -0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.942 14.362 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.623 15.017 0.203 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.414 12.828 0.906 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.151 12.564 1.575 1.00 0.00 C ATOM 1363 C LEU A 95 -5.285 11.671 0.684 1.00 0.00 C ATOM 1364 O LEU A 95 -4.251 11.168 1.123 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.395 11.989 2.972 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.299 12.255 4.006 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -4.675 13.636 3.801 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -5.832 12.071 5.429 1.00 0.00 C ATOM 0 H LEU A 95 -8.022 12.015 0.806 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.600 13.491 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.332 12.395 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.528 10.911 2.882 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.507 11.520 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.899 13.799 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.236 13.693 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.444 14.402 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.033 12.266 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.653 12.767 5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.190 11.049 5.554 1.00 0.00 H new ATOM 1379 N PHE A 96 -5.737 11.503 -0.549 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.016 10.679 -1.505 1.00 0.00 C ATOM 1381 C PHE A 96 -3.528 11.038 -1.524 1.00 0.00 C ATOM 1382 O PHE A 96 -2.681 10.171 -1.737 1.00 0.00 O ATOM 1383 CB PHE A 96 -5.616 10.964 -2.883 1.00 0.00 C ATOM 1384 CG PHE A 96 -5.950 9.708 -3.688 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.341 8.528 -3.392 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -6.857 9.769 -4.701 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.652 7.361 -4.140 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.167 8.602 -5.447 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.559 7.423 -5.151 1.00 0.00 C ATOM 0 H PHE A 96 -6.594 11.923 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.105 9.627 -1.233 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.523 11.555 -2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -4.915 11.573 -3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.621 8.478 -2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.341 10.705 -4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.168 6.424 -3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.887 8.651 -6.251 1.00 0.00 H new ATOM 0 HZ PHE A 96 -6.796 6.535 -5.719 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.257 12.315 -1.300 1.00 0.00 N ATOM 1399 CA LYS A 97 -1.887 12.798 -1.290 1.00 0.00 C ATOM 1400 C LYS A 97 -1.113 12.099 -0.170 1.00 0.00 C ATOM 1401 O LYS A 97 0.110 11.991 -0.231 1.00 0.00 O ATOM 1402 CB LYS A 97 -1.858 14.324 -1.197 1.00 0.00 C ATOM 1403 CG LYS A 97 -2.915 14.950 -2.110 1.00 0.00 C ATOM 1404 CD LYS A 97 -2.279 15.944 -3.084 1.00 0.00 C ATOM 1405 CE LYS A 97 -3.290 17.005 -3.522 1.00 0.00 C ATOM 1406 NZ LYS A 97 -2.674 17.940 -4.490 1.00 0.00 N ATOM 0 H LYS A 97 -3.963 13.030 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.388 12.549 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.034 14.632 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.870 14.690 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.429 14.167 -2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.667 15.458 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.423 16.425 -2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.903 15.412 -3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.158 16.524 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.648 17.556 -2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.374 18.654 -4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.860 18.412 -4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.355 17.412 -5.327 1.00 0.00 H new ATOM 1415 N ILE A 98 -1.858 11.642 0.825 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.257 10.956 1.957 1.00 0.00 C ATOM 1417 C ILE A 98 -1.064 9.479 1.608 1.00 0.00 C ATOM 1418 O ILE A 98 -0.416 8.742 2.351 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.084 11.185 3.223 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.210 11.723 4.358 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -2.831 9.914 3.628 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.040 10.677 5.462 1.00 0.00 C ATOM 0 H ILE A 98 -2.873 11.733 0.871 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.270 11.366 2.170 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.836 11.944 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.233 12.006 3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.661 12.625 4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.411 10.105 4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.502 9.614 2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.114 9.116 3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.415 11.085 6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.017 10.414 5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.567 9.786 5.049 1.00 0.00 H new ATOM 1433 N ILE A 99 -1.637 9.090 0.479 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.535 7.715 0.022 1.00 0.00 C ATOM 1435 C ILE A 99 -0.764 7.675 -1.299 1.00 0.00 C ATOM 1436 O ILE A 99 -0.347 6.609 -1.746 1.00 0.00 O ATOM 1437 CB ILE A 99 -2.922 7.073 -0.056 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.535 6.921 1.337 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -2.868 5.741 -0.807 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -2.844 5.805 2.122 1.00 0.00 C ATOM 0 H ILE A 99 -2.174 9.704 -0.133 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.971 7.117 0.738 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.574 7.737 -0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.447 7.861 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.599 6.702 1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.866 5.306 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.503 5.909 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.196 5.058 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.299 5.718 3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.955 4.862 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.785 6.038 2.230 1.00 0.00 H new ATOM 1451 N ARG A 100 -0.599 8.851 -1.886 1.00 0.00 N ATOM 1452 CA ARG A 100 0.115 8.965 -3.146 1.00 0.00 C ATOM 1453 C ARG A 100 -0.074 7.696 -3.980 1.00 0.00 C ATOM 1454 O ARG A 100 0.783 6.813 -3.977 1.00 0.00 O ATOM 1455 CB ARG A 100 1.610 9.195 -2.914 1.00 0.00 C ATOM 1456 CG ARG A 100 2.298 9.662 -4.198 1.00 0.00 C ATOM 1457 CD ARG A 100 3.574 8.858 -4.461 1.00 0.00 C ATOM 1458 NE ARG A 100 4.741 9.765 -4.518 1.00 0.00 N ATOM 1459 CZ ARG A 100 4.927 10.700 -5.474 1.00 0.00 C ATOM 1460 NH1 ARG A 100 4.021 10.859 -6.462 1.00 0.00 N ATOM 1461 NH2 ARG A 100 6.007 11.457 -5.428 1.00 0.00 N ATOM 0 H ARG A 100 -0.948 9.734 -1.512 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.294 9.821 -3.682 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.750 9.940 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.073 8.273 -2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.615 9.553 -5.041 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.541 10.722 -4.120 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.716 8.118 -3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.482 8.311 -5.399 1.00 0.00 H new ATOM 0 HE ARG A 100 5.450 9.679 -3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.188 10.270 -6.490 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.169 11.568 -7.180 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.686 11.331 -4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.162 12.168 -6.143 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.203 7.644 -4.672 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.516 6.497 -5.509 1.00 0.00 C ATOM 1473 C PHE A 101 -1.289 6.819 -6.987 1.00 0.00 C ATOM 1474 O PHE A 101 -1.050 7.971 -7.347 1.00 0.00 O ATOM 1475 CB PHE A 101 -2.995 6.175 -5.289 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.292 4.680 -5.145 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.423 3.904 -6.254 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.424 4.130 -3.909 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.698 2.517 -6.121 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -3.699 2.743 -3.776 1.00 0.00 C ATOM 1481 CZ PHE A 101 -3.830 1.966 -4.884 1.00 0.00 C ATOM 0 H PHE A 101 -1.912 8.377 -4.670 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.873 5.657 -5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.339 6.691 -4.393 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.571 6.570 -6.126 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.318 4.342 -7.235 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.320 4.747 -3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.802 1.900 -7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.804 2.305 -2.794 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.039 0.911 -4.782 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.374 5.780 -7.805 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.182 5.938 -9.237 1.00 0.00 C ATOM 1492 C GLU A 102 -2.089 4.974 -10.003 1.00 0.00 C ATOM 1493 O GLU A 102 -3.198 4.676 -9.562 1.00 0.00 O ATOM 1494 CB GLU A 102 0.285 5.731 -9.619 1.00 0.00 C ATOM 1495 CG GLU A 102 0.741 6.781 -10.634 1.00 0.00 C ATOM 1496 CD GLU A 102 1.938 7.573 -10.105 1.00 0.00 C ATOM 1497 OE1 GLU A 102 3.011 7.564 -10.726 1.00 0.00 O ATOM 1498 OE2 GLU A 102 1.725 8.214 -9.006 1.00 0.00 O ATOM 0 H GLU A 102 -1.573 4.826 -7.504 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.454 6.957 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.908 5.788 -8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.418 4.733 -10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.009 6.293 -11.571 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.082 7.462 -10.853 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.584 4.513 -11.139 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.336 3.589 -11.971 1.00 0.00 C ATOM 1506 C GLN A 103 -1.382 2.705 -12.778 1.00 0.00 C ATOM 1507 O GLN A 103 -0.959 3.078 -13.871 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.299 4.339 -12.892 1.00 0.00 C ATOM 1509 CG GLN A 103 -4.088 5.397 -12.117 1.00 0.00 C ATOM 1510 CD GLN A 103 -5.004 6.191 -13.051 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -5.341 5.764 -14.142 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -5.387 7.367 -12.561 1.00 0.00 N ATOM 0 H GLN A 103 -0.664 4.762 -11.502 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.932 2.949 -11.321 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.740 4.815 -13.698 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.988 3.633 -13.355 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.683 4.916 -11.341 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.398 6.075 -11.615 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -5.067 7.664 -11.639 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -6.000 7.972 -13.107 1.00 0.00 H new ATOM 1519 N SER A 104 -1.072 1.550 -12.206 1.00 0.00 N ATOM 1520 CA SER A 104 -0.175 0.610 -12.859 1.00 0.00 C ATOM 1521 C SER A 104 1.094 1.330 -13.317 1.00 0.00 C ATOM 1522 O SER A 104 2.189 1.031 -12.841 1.00 0.00 O ATOM 1523 CB SER A 104 -0.859 -0.068 -14.047 1.00 0.00 C ATOM 1524 OG SER A 104 0.060 -0.825 -14.831 1.00 0.00 O ATOM 0 H SER A 104 -1.425 1.244 -11.299 1.00 0.00 H new ATOM 0 HA SER A 104 0.094 -0.163 -12.139 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.651 -0.723 -13.684 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.332 0.688 -14.673 1.00 0.00 H new ATOM 0 HG SER A 104 -0.415 -1.244 -15.579 1.00 0.00 H new ATOM 1529 N GLU A 105 0.908 2.265 -14.238 1.00 0.00 N ATOM 1530 CA GLU A 105 2.024 3.030 -14.766 1.00 0.00 C ATOM 1531 C GLU A 105 3.069 3.266 -13.673 1.00 0.00 C ATOM 1532 O GLU A 105 4.263 3.347 -13.958 1.00 0.00 O ATOM 1533 CB GLU A 105 1.548 4.354 -15.364 1.00 0.00 C ATOM 1534 CG GLU A 105 2.731 5.195 -15.849 1.00 0.00 C ATOM 1535 CD GLU A 105 2.467 5.760 -17.246 1.00 0.00 C ATOM 1536 OE1 GLU A 105 1.713 6.734 -17.388 1.00 0.00 O ATOM 1537 OE2 GLU A 105 3.078 5.150 -18.205 1.00 0.00 O ATOM 0 H GLU A 105 -0.000 2.510 -14.632 1.00 0.00 H new ATOM 0 HA GLU A 105 2.487 2.454 -15.567 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.871 4.159 -16.196 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.983 4.912 -14.617 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.911 6.012 -15.151 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.634 4.584 -15.865 1.00 0.00 H new ATOM 1543 N GLN A 106 2.582 3.371 -12.446 1.00 0.00 N ATOM 1544 CA GLN A 106 3.459 3.597 -11.310 1.00 0.00 C ATOM 1545 C GLN A 106 4.373 2.389 -11.096 1.00 0.00 C ATOM 1546 O GLN A 106 5.314 2.450 -10.306 1.00 0.00 O ATOM 1547 CB GLN A 106 2.651 3.904 -10.047 1.00 0.00 C ATOM 1548 CG GLN A 106 3.436 3.527 -8.788 1.00 0.00 C ATOM 1549 CD GLN A 106 2.798 4.138 -7.539 1.00 0.00 C ATOM 1550 OE1 GLN A 106 1.781 3.681 -7.044 1.00 0.00 O ATOM 1551 NE2 GLN A 106 3.450 5.194 -7.061 1.00 0.00 N ATOM 0 H GLN A 106 1.591 3.304 -12.213 1.00 0.00 H new ATOM 0 HA GLN A 106 4.082 4.465 -11.524 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.401 4.965 -10.020 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.710 3.355 -10.071 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.471 2.442 -8.689 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.466 3.872 -8.880 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.296 5.524 -7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.104 5.674 -6.230 1.00 0.00 H new ATOM 1558 N GLN A 107 4.064 1.319 -11.814 1.00 0.00 N ATOM 1559 CA GLN A 107 4.846 0.098 -11.713 1.00 0.00 C ATOM 1560 C GLN A 107 6.318 0.431 -11.459 1.00 0.00 C ATOM 1561 O GLN A 107 7.025 -0.330 -10.801 1.00 0.00 O ATOM 1562 CB GLN A 107 4.687 -0.760 -12.969 1.00 0.00 C ATOM 1563 CG GLN A 107 5.442 -2.084 -12.828 1.00 0.00 C ATOM 1564 CD GLN A 107 4.547 -3.163 -12.216 1.00 0.00 C ATOM 1565 OE1 GLN A 107 4.084 -3.058 -11.093 1.00 0.00 O ATOM 1566 NE2 GLN A 107 4.329 -4.202 -13.017 1.00 0.00 N ATOM 0 H GLN A 107 3.283 1.272 -12.468 1.00 0.00 H new ATOM 0 HA GLN A 107 4.473 -0.481 -10.868 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.630 -0.957 -13.148 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.060 -0.215 -13.836 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.795 -2.411 -13.806 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.323 -1.940 -12.203 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.748 -4.226 -13.947 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.743 -4.975 -12.702 1.00 0.00 H new ATOM 1573 N ALA A 108 6.736 1.569 -11.994 1.00 0.00 N ATOM 1574 CA ALA A 108 8.110 2.011 -11.834 1.00 0.00 C ATOM 1575 C ALA A 108 8.232 2.826 -10.543 1.00 0.00 C ATOM 1576 O ALA A 108 9.073 2.531 -9.696 1.00 0.00 O ATOM 1577 CB ALA A 108 8.539 2.807 -13.068 1.00 0.00 C ATOM 0 H ALA A 108 6.146 2.198 -12.539 1.00 0.00 H new ATOM 0 HA ALA A 108 8.780 1.156 -11.750 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.570 3.138 -12.947 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.462 2.175 -13.953 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.890 3.675 -13.184 1.00 0.00 H new ATOM 1583 N LEU A 109 7.380 3.835 -10.436 1.00 0.00 N ATOM 1584 CA LEU A 109 7.381 4.694 -9.265 1.00 0.00 C ATOM 1585 C LEU A 109 6.977 3.876 -8.037 1.00 0.00 C ATOM 1586 O LEU A 109 7.232 4.282 -6.904 1.00 0.00 O ATOM 1587 CB LEU A 109 6.503 5.924 -9.501 1.00 0.00 C ATOM 1588 CG LEU A 109 7.226 7.273 -9.516 1.00 0.00 C ATOM 1589 CD1 LEU A 109 6.356 8.354 -10.160 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.681 7.666 -8.109 1.00 0.00 C ATOM 0 H LEU A 109 6.684 4.077 -11.142 1.00 0.00 H new ATOM 0 HA LEU A 109 8.383 5.079 -9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.987 5.800 -10.453 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.738 5.953 -8.726 1.00 0.00 H new ATOM 0 HG LEU A 109 8.122 7.174 -10.129 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.893 9.302 -10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.124 8.071 -11.187 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.430 8.460 -9.595 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.192 8.628 -8.147 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.813 7.742 -7.454 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.363 6.908 -7.722 1.00 0.00 H new ATOM 1601 N LEU A 110 6.351 2.738 -8.303 1.00 0.00 N ATOM 1602 CA LEU A 110 5.909 1.859 -7.234 1.00 0.00 C ATOM 1603 C LEU A 110 7.102 1.502 -6.347 1.00 0.00 C ATOM 1604 O LEU A 110 6.961 1.376 -5.131 1.00 0.00 O ATOM 1605 CB LEU A 110 5.182 0.642 -7.808 1.00 0.00 C ATOM 1606 CG LEU A 110 4.098 0.027 -6.920 1.00 0.00 C ATOM 1607 CD1 LEU A 110 2.806 0.841 -6.989 1.00 0.00 C ATOM 1608 CD2 LEU A 110 3.869 -1.444 -7.274 1.00 0.00 C ATOM 0 H LEU A 110 6.140 2.405 -9.244 1.00 0.00 H new ATOM 0 HA LEU A 110 5.181 2.366 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.727 0.929 -8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.922 -0.127 -8.029 1.00 0.00 H new ATOM 0 HG LEU A 110 4.444 0.059 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.052 0.382 -6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.999 1.859 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.444 0.863 -8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.094 -1.857 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.555 -1.523 -8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.795 -2.001 -7.131 1.00 0.00 H new ATOM 1619 N THR A 111 8.251 1.348 -6.989 1.00 0.00 N ATOM 1620 CA THR A 111 9.468 1.007 -6.273 1.00 0.00 C ATOM 1621 C THR A 111 9.763 2.051 -5.194 1.00 0.00 C ATOM 1622 O THR A 111 10.698 1.893 -4.410 1.00 0.00 O ATOM 1623 CB THR A 111 10.594 0.858 -7.298 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.855 -0.542 -7.326 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.910 1.472 -6.816 1.00 0.00 C ATOM 0 H THR A 111 8.364 1.453 -7.997 1.00 0.00 H new ATOM 0 HA THR A 111 9.363 0.060 -5.744 1.00 0.00 H new ATOM 0 HB THR A 111 10.296 1.328 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.572 -0.728 -7.967 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.675 1.339 -7.581 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.767 2.536 -6.627 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.226 0.979 -5.897 1.00 0.00 H new ATOM 1633 N LEU A 112 8.947 3.096 -5.188 1.00 0.00 N ATOM 1634 CA LEU A 112 9.108 4.166 -4.219 1.00 0.00 C ATOM 1635 C LEU A 112 9.885 5.317 -4.860 1.00 0.00 C ATOM 1636 O LEU A 112 10.554 6.082 -4.168 1.00 0.00 O ATOM 1637 CB LEU A 112 9.748 3.634 -2.934 1.00 0.00 C ATOM 1638 CG LEU A 112 9.809 4.613 -1.760 1.00 0.00 C ATOM 1639 CD1 LEU A 112 9.294 3.961 -0.475 1.00 0.00 C ATOM 1640 CD2 LEU A 112 11.222 5.177 -1.591 1.00 0.00 C ATOM 0 H LEU A 112 8.172 3.224 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 112 8.136 4.561 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.196 2.750 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.763 3.310 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 112 9.151 5.453 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.348 4.678 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.259 3.648 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.907 3.092 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.239 5.870 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.919 4.361 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.515 5.702 -2.500 1.00 0.00 H new ATOM 1651 N GLY A 113 9.770 5.404 -6.178 1.00 0.00 N ATOM 1652 CA GLY A 113 10.453 6.449 -6.922 1.00 0.00 C ATOM 1653 C GLY A 113 11.871 6.663 -6.389 1.00 0.00 C ATOM 1654 O GLY A 113 12.429 7.751 -6.519 1.00 0.00 O ATOM 0 H GLY A 113 9.214 4.768 -6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.494 6.181 -7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.889 7.379 -6.851 1.00 0.00 H new ATOM 1658 N VAL A 114 12.414 5.607 -5.800 1.00 0.00 N ATOM 1659 CA VAL A 114 13.756 5.666 -5.248 1.00 0.00 C ATOM 1660 C VAL A 114 14.439 4.308 -5.432 1.00 0.00 C ATOM 1661 O VAL A 114 14.637 3.573 -4.466 1.00 0.00 O ATOM 1662 CB VAL A 114 13.702 6.114 -3.786 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.032 5.844 -3.080 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.314 7.590 -3.679 1.00 0.00 C ATOM 0 H VAL A 114 11.948 4.706 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 114 14.355 6.406 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 114 12.932 5.528 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 114 14.966 6.172 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.250 4.776 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.829 6.391 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.283 7.883 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.050 8.199 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.332 7.741 -4.127 1.00 0.00 H new ATOM 1674 N ALA A 115 14.781 4.018 -6.678 1.00 0.00 N ATOM 1675 CA ALA A 115 15.436 2.762 -7.002 1.00 0.00 C ATOM 1676 C ALA A 115 15.296 2.489 -8.500 1.00 0.00 C ATOM 1677 O ALA A 115 14.281 1.955 -8.945 1.00 0.00 O ATOM 1678 CB ALA A 115 14.843 1.641 -6.146 1.00 0.00 C ATOM 0 H ALA A 115 14.617 4.631 -7.476 1.00 0.00 H new ATOM 0 HA ALA A 115 16.501 2.816 -6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.334 0.699 -6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.996 1.869 -5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.775 1.556 -6.347 1.00 0.00 H new