USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 760 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 35 TYR OH : rot -146:sc= 0.0565 USER MOD Set 1.2: A 56 GLN : amide:sc= 0.0556 X(o=0.085,f=-0.35) USER MOD Set 1.3: A 91 GLN : amide:sc= -0.0268 X(o=0.085,f=-0.34) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.625) USER MOD Single : A 8 THR OG1 : rot -130:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.0491 K(o=-0.049,f=-2.8!) USER MOD Single : A 15 ASN : amide:sc= 0.0928 X(o=0.093,f=0) USER MOD Single : A 17 MET CE :methyl 141:sc= -0.0811 (180deg=-1.61!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -123:sc= 0.0168 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -20:sc= 0.448 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -62:sc= 0.0616 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -9.36! C(o=-9.4!,f=-9.3!) USER MOD Single : A 77 MET CE :methyl -156:sc= -2.36! (180deg=-3.06!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -2.5! USER MOD Single : A 80 THR OG1 : rot -91:sc= 1.21 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 SER OG : rot -160:sc= -1.08 USER MOD Single : B 102 THR OG1 : rot 101:sc= -0.99 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.517 6.258 -21.976 1.00 0.00 N ATOM 2 CA MET A 1 -9.565 6.160 -20.491 1.00 0.00 C ATOM 3 C MET A 1 -8.160 6.026 -19.900 1.00 0.00 C ATOM 4 O MET A 1 -7.660 4.915 -19.710 1.00 0.00 O ATOM 5 CB MET A 1 -10.425 4.949 -20.105 1.00 0.00 C ATOM 6 CG MET A 1 -11.914 5.253 -20.022 1.00 0.00 C ATOM 7 SD MET A 1 -12.935 3.907 -20.654 1.00 0.00 S ATOM 8 CE MET A 1 -13.604 3.247 -19.128 1.00 0.00 C ATOM 0 H1 MET A 1 -10.483 6.348 -22.349 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.961 7.092 -22.251 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.073 5.402 -22.366 1.00 0.00 H new ATOM 0 HA MET A 1 -10.004 7.072 -20.087 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.266 4.155 -20.835 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.087 4.568 -19.141 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.183 5.451 -18.984 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.127 6.161 -20.586 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.259 2.405 -19.352 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.788 2.912 -18.488 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.173 4.022 -18.615 1.00 0.00 H new ATOM 20 N LYS A 2 -7.530 7.165 -19.610 1.00 0.00 N ATOM 21 CA LYS A 2 -6.185 7.177 -19.036 1.00 0.00 C ATOM 22 C LYS A 2 -6.216 7.652 -17.579 1.00 0.00 C ATOM 23 O LYS A 2 -5.282 8.306 -17.109 1.00 0.00 O ATOM 24 CB LYS A 2 -5.264 8.076 -19.866 1.00 0.00 C ATOM 25 CG LYS A 2 -3.969 7.397 -20.278 1.00 0.00 C ATOM 26 CD LYS A 2 -2.898 8.411 -20.646 1.00 0.00 C ATOM 27 CE LYS A 2 -3.082 8.935 -22.064 1.00 0.00 C ATOM 28 NZ LYS A 2 -4.042 10.077 -22.128 1.00 0.00 N ATOM 0 H LYS A 2 -7.930 8.091 -19.763 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.797 6.159 -19.054 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.796 8.401 -20.760 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.029 8.972 -19.291 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.611 6.769 -19.462 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.156 6.740 -21.127 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.929 9.244 -19.943 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.914 7.951 -20.553 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.117 9.252 -22.459 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.439 8.128 -22.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.831 9.832 -22.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.409 10.276 -21.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.555 10.920 -22.494 1.00 0.00 H new ATOM 42 N GLU A 3 -7.295 7.316 -16.868 1.00 0.00 N ATOM 43 CA GLU A 3 -7.450 7.705 -15.472 1.00 0.00 C ATOM 44 C GLU A 3 -7.910 6.521 -14.630 1.00 0.00 C ATOM 45 O GLU A 3 -9.103 6.203 -14.598 1.00 0.00 O ATOM 46 CB GLU A 3 -8.457 8.852 -15.349 1.00 0.00 C ATOM 47 CG GLU A 3 -7.902 10.200 -15.785 1.00 0.00 C ATOM 48 CD GLU A 3 -8.973 11.163 -16.268 1.00 0.00 C ATOM 49 OE1 GLU A 3 -9.961 10.704 -16.883 1.00 0.00 O ATOM 50 OE2 GLU A 3 -8.821 12.381 -16.036 1.00 0.00 O ATOM 0 H GLU A 3 -8.074 6.774 -17.241 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.481 8.040 -15.103 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.336 8.619 -15.950 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.789 8.923 -14.313 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.367 10.652 -14.950 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.176 10.045 -16.583 1.00 0.00 H new ATOM 57 N PRO A 4 -6.962 5.843 -13.944 1.00 0.00 N ATOM 58 CA PRO A 4 -7.263 4.677 -13.096 1.00 0.00 C ATOM 59 C PRO A 4 -8.266 4.996 -11.980 1.00 0.00 C ATOM 60 O PRO A 4 -8.758 6.120 -11.872 1.00 0.00 O ATOM 61 CB PRO A 4 -5.897 4.304 -12.499 1.00 0.00 C ATOM 62 CG PRO A 4 -4.898 4.884 -13.438 1.00 0.00 C ATOM 63 CD PRO A 4 -5.517 6.150 -13.955 1.00 0.00 C ATOM 0 HA PRO A 4 -7.729 3.875 -13.669 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.780 4.712 -11.495 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.783 3.223 -12.419 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.955 5.088 -12.930 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.679 4.194 -14.253 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.281 7.003 -13.319 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.164 6.392 -14.957 1.00 0.00 H new ATOM 71 N GLU A 5 -8.564 3.994 -11.152 1.00 0.00 N ATOM 72 CA GLU A 5 -9.509 4.160 -10.052 1.00 0.00 C ATOM 73 C GLU A 5 -8.822 3.974 -8.705 1.00 0.00 C ATOM 74 O GLU A 5 -8.709 2.855 -8.198 1.00 0.00 O ATOM 75 CB GLU A 5 -10.667 3.173 -10.194 1.00 0.00 C ATOM 76 CG GLU A 5 -11.793 3.404 -9.198 1.00 0.00 C ATOM 77 CD GLU A 5 -13.093 2.755 -9.630 1.00 0.00 C ATOM 78 OE1 GLU A 5 -13.842 3.385 -10.406 1.00 0.00 O ATOM 79 OE2 GLU A 5 -13.362 1.616 -9.194 1.00 0.00 O ATOM 0 H GLU A 5 -8.163 3.059 -11.224 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.901 5.176 -10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.069 3.241 -11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.286 2.159 -10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.500 3.010 -8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.949 4.476 -9.074 1.00 0.00 H new ATOM 86 N ILE A 6 -8.373 5.081 -8.131 1.00 0.00 N ATOM 87 CA ILE A 6 -7.701 5.062 -6.839 1.00 0.00 C ATOM 88 C ILE A 6 -8.692 5.344 -5.712 1.00 0.00 C ATOM 89 O ILE A 6 -9.237 6.445 -5.612 1.00 0.00 O ATOM 90 CB ILE A 6 -6.560 6.095 -6.785 1.00 0.00 C ATOM 91 CG1 ILE A 6 -5.617 5.920 -7.978 1.00 0.00 C ATOM 92 CG2 ILE A 6 -5.791 5.979 -5.475 1.00 0.00 C ATOM 93 CD1 ILE A 6 -5.002 7.218 -8.451 1.00 0.00 C ATOM 0 H ILE A 6 -8.463 6.010 -8.543 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.277 4.066 -6.708 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.999 7.091 -6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.821 5.228 -7.704 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.166 5.465 -8.802 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.989 6.717 -5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.467 6.157 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.365 4.979 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.345 7.022 -9.298 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.792 7.905 -8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.426 7.664 -7.641 1.00 0.00 H new ATOM 105 N ILE A 7 -8.922 4.337 -4.871 1.00 0.00 N ATOM 106 CA ILE A 7 -9.851 4.460 -3.751 1.00 0.00 C ATOM 107 C ILE A 7 -9.190 4.056 -2.434 1.00 0.00 C ATOM 108 O ILE A 7 -8.290 3.215 -2.413 1.00 0.00 O ATOM 109 CB ILE A 7 -11.113 3.596 -3.967 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.739 2.112 -4.079 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.868 4.054 -5.209 1.00 0.00 C ATOM 112 CD1 ILE A 7 -11.768 1.182 -3.475 1.00 0.00 C ATOM 0 H ILE A 7 -8.475 3.423 -4.946 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.142 5.509 -3.699 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.766 3.720 -3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.604 1.858 -5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.780 1.949 -3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.754 3.434 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.168 5.095 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.222 3.961 -6.082 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.438 0.150 -3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.886 1.409 -2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.723 1.316 -3.983 1.00 0.00 H new ATOM 124 N THR A 8 -9.649 4.655 -1.336 1.00 0.00 N ATOM 125 CA THR A 8 -9.110 4.355 -0.013 1.00 0.00 C ATOM 126 C THR A 8 -10.122 3.578 0.824 1.00 0.00 C ATOM 127 O THR A 8 -11.294 3.949 0.907 1.00 0.00 O ATOM 128 CB THR A 8 -8.699 5.646 0.706 1.00 0.00 C ATOM 129 OG1 THR A 8 -8.190 5.362 1.999 1.00 0.00 O ATOM 130 CG2 THR A 8 -9.832 6.640 0.866 1.00 0.00 C ATOM 0 H THR A 8 -10.394 5.352 -1.338 1.00 0.00 H new ATOM 0 HA THR A 8 -8.225 3.732 -0.141 1.00 0.00 H new ATOM 0 HB THR A 8 -7.937 6.094 0.069 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.634 5.935 2.658 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.467 7.528 1.383 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.210 6.922 -0.117 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.635 6.186 1.447 1.00 0.00 H new ATOM 138 N VAL A 9 -9.658 2.496 1.442 1.00 0.00 N ATOM 139 CA VAL A 9 -10.514 1.659 2.273 1.00 0.00 C ATOM 140 C VAL A 9 -10.208 1.864 3.754 1.00 0.00 C ATOM 141 O VAL A 9 -9.072 1.678 4.193 1.00 0.00 O ATOM 142 CB VAL A 9 -10.356 0.165 1.910 1.00 0.00 C ATOM 143 CG1 VAL A 9 -8.945 -0.327 2.216 1.00 0.00 C ATOM 144 CG2 VAL A 9 -11.400 -0.674 2.637 1.00 0.00 C ATOM 0 H VAL A 9 -8.691 2.178 1.382 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.545 1.958 2.082 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.518 0.055 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.862 -1.381 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.225 0.251 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.739 -0.203 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.274 -1.723 2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.276 -0.556 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.398 -0.343 2.348 1.00 0.00 H new ATOM 154 N THR A 10 -11.229 2.248 4.519 1.00 0.00 N ATOM 155 CA THR A 10 -11.075 2.478 5.953 1.00 0.00 C ATOM 156 C THR A 10 -11.492 1.239 6.744 1.00 0.00 C ATOM 157 O THR A 10 -12.684 0.963 6.900 1.00 0.00 O ATOM 158 CB THR A 10 -11.904 3.690 6.391 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.744 4.765 5.480 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.539 4.199 7.770 1.00 0.00 C ATOM 0 H THR A 10 -12.173 2.406 4.168 1.00 0.00 H new ATOM 0 HA THR A 10 -10.024 2.681 6.157 1.00 0.00 H new ATOM 0 HB THR A 10 -12.936 3.340 6.411 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.283 5.528 5.777 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.163 5.057 8.018 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.700 3.409 8.504 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.491 4.497 7.782 1.00 0.00 H new ATOM 168 N LEU A 11 -10.502 0.494 7.236 1.00 0.00 N ATOM 169 CA LEU A 11 -10.759 -0.722 8.007 1.00 0.00 C ATOM 170 C LEU A 11 -10.058 -0.671 9.365 1.00 0.00 C ATOM 171 O LEU A 11 -9.295 0.257 9.646 1.00 0.00 O ATOM 172 CB LEU A 11 -10.292 -1.953 7.222 1.00 0.00 C ATOM 173 CG LEU A 11 -10.773 -2.016 5.769 1.00 0.00 C ATOM 174 CD1 LEU A 11 -9.819 -2.845 4.920 1.00 0.00 C ATOM 175 CD2 LEU A 11 -12.186 -2.580 5.699 1.00 0.00 C ATOM 0 H LEU A 11 -9.513 0.712 7.114 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.833 -0.793 8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.202 -1.978 7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.635 -2.848 7.741 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.788 -1.002 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.180 -2.876 3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.827 -2.394 4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.766 -3.859 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.512 -2.618 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.198 -3.586 6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.861 -1.941 6.268 1.00 0.00 H new ATOM 187 N LYS A 12 -10.320 -1.675 10.205 1.00 0.00 N ATOM 188 CA LYS A 12 -9.714 -1.747 11.531 1.00 0.00 C ATOM 189 C LYS A 12 -8.798 -2.965 11.647 1.00 0.00 C ATOM 190 O LYS A 12 -9.099 -4.033 11.109 1.00 0.00 O ATOM 191 CB LYS A 12 -10.801 -1.804 12.609 1.00 0.00 C ATOM 192 CG LYS A 12 -10.815 -0.591 13.528 1.00 0.00 C ATOM 193 CD LYS A 12 -10.854 -1.001 14.993 1.00 0.00 C ATOM 194 CE LYS A 12 -10.764 0.207 15.917 1.00 0.00 C ATOM 195 NZ LYS A 12 -12.094 0.603 16.465 1.00 0.00 N ATOM 0 H LYS A 12 -10.948 -2.448 9.988 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.113 -0.850 11.678 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.774 -1.895 12.127 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.658 -2.702 13.210 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.930 0.017 13.343 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.681 0.030 13.300 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.776 -1.546 15.194 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.029 -1.682 15.203 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.087 -0.019 16.741 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.334 1.047 15.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.981 1.429 17.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.734 0.845 15.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.495 -0.188 17.008 1.00 0.00 H new ATOM 209 N LYS A 13 -7.680 -2.796 12.353 1.00 0.00 N ATOM 210 CA LYS A 13 -6.716 -3.879 12.542 1.00 0.00 C ATOM 211 C LYS A 13 -7.210 -4.877 13.588 1.00 0.00 C ATOM 212 O LYS A 13 -7.697 -4.486 14.650 1.00 0.00 O ATOM 213 CB LYS A 13 -5.359 -3.316 12.969 1.00 0.00 C ATOM 214 CG LYS A 13 -4.424 -3.021 11.807 1.00 0.00 C ATOM 215 CD LYS A 13 -3.777 -1.651 11.949 1.00 0.00 C ATOM 216 CE LYS A 13 -2.380 -1.749 12.543 1.00 0.00 C ATOM 217 NZ LYS A 13 -2.407 -1.809 14.031 1.00 0.00 N ATOM 0 H LYS A 13 -7.420 -1.919 12.804 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.607 -4.399 11.590 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.519 -2.399 13.536 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.876 -4.026 13.640 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.650 -3.787 11.757 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.979 -3.067 10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.725 -1.170 10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.399 -1.019 12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.883 -2.637 12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.790 -0.889 12.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.434 -1.875 14.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.858 -0.950 14.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.947 -2.644 14.335 1.00 0.00 H new ATOM 231 N GLN A 14 -7.070 -6.168 13.281 1.00 0.00 N ATOM 232 CA GLN A 14 -7.496 -7.228 14.197 1.00 0.00 C ATOM 233 C GLN A 14 -6.336 -7.650 15.095 1.00 0.00 C ATOM 234 O GLN A 14 -6.408 -7.522 16.318 1.00 0.00 O ATOM 235 CB GLN A 14 -8.035 -8.441 13.421 1.00 0.00 C ATOM 236 CG GLN A 14 -8.781 -8.081 12.141 1.00 0.00 C ATOM 237 CD GLN A 14 -10.125 -7.419 12.401 1.00 0.00 C ATOM 238 OE1 GLN A 14 -10.453 -7.067 13.535 1.00 0.00 O ATOM 239 NE2 GLN A 14 -10.914 -7.244 11.346 1.00 0.00 N ATOM 0 H GLN A 14 -6.666 -6.504 12.407 1.00 0.00 H new ATOM 0 HA GLN A 14 -8.300 -6.836 14.819 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.202 -9.098 13.171 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.703 -9.007 14.071 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.163 -7.412 11.543 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.936 -8.984 11.551 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.606 -7.549 10.423 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.827 -6.804 11.460 1.00 0.00 H new ATOM 248 N ASN A 15 -5.264 -8.140 14.473 1.00 0.00 N ATOM 249 CA ASN A 15 -4.072 -8.573 15.202 1.00 0.00 C ATOM 250 C ASN A 15 -2.842 -8.565 14.285 1.00 0.00 C ATOM 251 O ASN A 15 -1.969 -9.431 14.390 1.00 0.00 O ATOM 252 CB ASN A 15 -4.286 -9.971 15.796 1.00 0.00 C ATOM 253 CG ASN A 15 -3.773 -10.082 17.220 1.00 0.00 C ATOM 254 OD1 ASN A 15 -4.522 -10.421 18.136 1.00 0.00 O ATOM 255 ND2 ASN A 15 -2.489 -9.796 17.416 1.00 0.00 N ATOM 0 H ASN A 15 -5.197 -8.247 13.461 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.896 -7.871 16.017 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.349 -10.212 15.776 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.780 -10.708 15.173 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.091 -9.854 18.353 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.902 -9.519 16.629 1.00 0.00 H new ATOM 262 N GLY A 16 -2.786 -7.580 13.384 1.00 0.00 N ATOM 263 CA GLY A 16 -1.674 -7.468 12.455 1.00 0.00 C ATOM 264 C GLY A 16 -2.135 -7.495 11.010 1.00 0.00 C ATOM 265 O GLY A 16 -3.096 -8.192 10.675 1.00 0.00 O ATOM 0 H GLY A 16 -3.497 -6.856 13.284 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.134 -6.540 12.646 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.974 -8.285 12.627 1.00 0.00 H new ATOM 269 N MET A 17 -1.453 -6.732 10.156 1.00 0.00 N ATOM 270 CA MET A 17 -1.798 -6.669 8.737 1.00 0.00 C ATOM 271 C MET A 17 -1.390 -7.954 8.023 1.00 0.00 C ATOM 272 O MET A 17 -2.238 -8.665 7.483 1.00 0.00 O ATOM 273 CB MET A 17 -1.128 -5.461 8.071 1.00 0.00 C ATOM 274 CG MET A 17 -1.846 -4.146 8.336 1.00 0.00 C ATOM 275 SD MET A 17 -1.695 -2.982 6.966 1.00 0.00 S ATOM 276 CE MET A 17 -0.375 -1.925 7.558 1.00 0.00 C ATOM 0 H MET A 17 -0.659 -6.150 10.422 1.00 0.00 H new ATOM 0 HA MET A 17 -2.879 -6.557 8.658 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.101 -5.383 8.427 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.080 -5.629 6.995 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.901 -4.344 8.524 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.441 -3.691 9.240 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.282 -1.664 6.728 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.800 -1.016 7.984 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.197 -2.451 8.322 1.00 0.00 H new ATOM 286 N GLY A 18 -0.087 -8.247 8.029 1.00 0.00 N ATOM 287 CA GLY A 18 0.411 -9.448 7.384 1.00 0.00 C ATOM 288 C GLY A 18 0.284 -9.393 5.874 1.00 0.00 C ATOM 289 O GLY A 18 -0.654 -9.949 5.307 1.00 0.00 O ATOM 0 H GLY A 18 0.630 -7.671 8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.458 -9.593 7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.137 -10.312 7.760 1.00 0.00 H new ATOM 293 N LEU A 19 1.234 -8.722 5.224 1.00 0.00 N ATOM 294 CA LEU A 19 1.237 -8.601 3.764 1.00 0.00 C ATOM 295 C LEU A 19 2.628 -8.213 3.253 1.00 0.00 C ATOM 296 O LEU A 19 3.558 -8.036 4.041 1.00 0.00 O ATOM 297 CB LEU A 19 0.187 -7.584 3.300 1.00 0.00 C ATOM 298 CG LEU A 19 0.358 -6.177 3.865 1.00 0.00 C ATOM 299 CD1 LEU A 19 0.995 -5.261 2.828 1.00 0.00 C ATOM 300 CD2 LEU A 19 -0.977 -5.618 4.334 1.00 0.00 C ATOM 0 H LEU A 19 2.013 -8.253 5.685 1.00 0.00 H new ATOM 0 HA LEU A 19 0.979 -9.573 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.213 -7.528 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.801 -7.953 3.576 1.00 0.00 H new ATOM 0 HG LEU A 19 1.022 -6.231 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.110 -4.261 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.973 -5.652 2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.358 -5.213 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.831 -4.614 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.670 -5.577 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.388 -6.261 5.112 1.00 0.00 H new ATOM 312 N SER A 20 2.765 -8.081 1.932 1.00 0.00 N ATOM 313 CA SER A 20 4.047 -7.719 1.324 1.00 0.00 C ATOM 314 C SER A 20 3.862 -6.678 0.222 1.00 0.00 C ATOM 315 O SER A 20 2.830 -6.654 -0.450 1.00 0.00 O ATOM 316 CB SER A 20 4.732 -8.962 0.754 1.00 0.00 C ATOM 317 OG SER A 20 4.924 -9.945 1.756 1.00 0.00 O ATOM 0 H SER A 20 2.006 -8.219 1.264 1.00 0.00 H new ATOM 0 HA SER A 20 4.676 -7.286 2.102 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.128 -9.375 -0.054 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.694 -8.685 0.323 1.00 0.00 H new ATOM 0 HG SER A 20 5.362 -10.729 1.365 1.00 0.00 H new ATOM 323 N ILE A 21 4.871 -5.824 0.035 1.00 0.00 N ATOM 324 CA ILE A 21 4.818 -4.783 -0.994 1.00 0.00 C ATOM 325 C ILE A 21 6.141 -4.673 -1.752 1.00 0.00 C ATOM 326 O ILE A 21 7.190 -5.073 -1.245 1.00 0.00 O ATOM 327 CB ILE A 21 4.455 -3.398 -0.402 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.338 -3.065 0.804 1.00 0.00 C ATOM 329 CG2 ILE A 21 2.983 -3.354 -0.018 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.690 -2.504 0.421 1.00 0.00 C ATOM 0 H ILE A 21 5.732 -5.833 0.581 1.00 0.00 H new ATOM 0 HA ILE A 21 4.032 -5.083 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 21 4.637 -2.644 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.820 -2.344 1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.482 -3.966 1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.744 -2.374 0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.371 -3.533 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.778 -4.123 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.264 -2.290 1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.227 -3.232 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.554 -1.585 -0.149 1.00 0.00 H new ATOM 342 N VAL A 22 6.078 -4.128 -2.969 1.00 0.00 N ATOM 343 CA VAL A 22 7.262 -3.963 -3.812 1.00 0.00 C ATOM 344 C VAL A 22 7.399 -2.524 -4.313 1.00 0.00 C ATOM 345 O VAL A 22 6.402 -1.854 -4.588 1.00 0.00 O ATOM 346 CB VAL A 22 7.220 -4.911 -5.031 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.561 -4.922 -5.753 1.00 0.00 C ATOM 348 CG2 VAL A 22 6.824 -6.318 -4.605 1.00 0.00 C ATOM 0 H VAL A 22 5.214 -3.792 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 22 8.122 -4.210 -3.190 1.00 0.00 H new ATOM 0 HB VAL A 22 6.465 -4.541 -5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.508 -5.596 -6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.796 -3.915 -6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.339 -5.262 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.800 -6.970 -5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.551 -6.699 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.837 -6.294 -4.143 1.00 0.00 H new ATOM 358 N ALA A 23 8.644 -2.062 -4.440 1.00 0.00 N ATOM 359 CA ALA A 23 8.925 -0.710 -4.919 1.00 0.00 C ATOM 360 C ALA A 23 9.359 -0.732 -6.384 1.00 0.00 C ATOM 361 O ALA A 23 10.076 -1.640 -6.811 1.00 0.00 O ATOM 362 CB ALA A 23 9.998 -0.058 -4.060 1.00 0.00 C ATOM 0 H ALA A 23 9.476 -2.608 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 23 8.010 -0.123 -4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.197 0.948 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.655 -0.005 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.912 -0.650 -4.109 1.00 0.00 H new ATOM 368 N ALA A 24 8.918 0.268 -7.149 1.00 0.00 N ATOM 369 CA ALA A 24 9.261 0.356 -8.567 1.00 0.00 C ATOM 370 C ALA A 24 9.497 1.802 -9.003 1.00 0.00 C ATOM 371 O ALA A 24 8.805 2.718 -8.554 1.00 0.00 O ATOM 372 CB ALA A 24 8.164 -0.275 -9.411 1.00 0.00 C ATOM 0 H ALA A 24 8.325 1.025 -6.811 1.00 0.00 H new ATOM 0 HA ALA A 24 10.192 -0.191 -8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.430 -0.204 -10.466 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.050 -1.323 -9.135 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.224 0.250 -9.238 1.00 0.00 H new ATOM 378 N LYS A 25 10.479 1.993 -9.888 1.00 0.00 N ATOM 379 CA LYS A 25 10.816 3.322 -10.400 1.00 0.00 C ATOM 380 C LYS A 25 10.124 3.589 -11.740 1.00 0.00 C ATOM 381 O LYS A 25 9.386 2.741 -12.248 1.00 0.00 O ATOM 382 CB LYS A 25 12.335 3.465 -10.554 1.00 0.00 C ATOM 383 CG LYS A 25 12.953 4.473 -9.597 1.00 0.00 C ATOM 384 CD LYS A 25 13.335 5.766 -10.305 1.00 0.00 C ATOM 385 CE LYS A 25 12.939 6.990 -9.491 1.00 0.00 C ATOM 386 NZ LYS A 25 13.801 8.169 -9.792 1.00 0.00 N ATOM 0 H LYS A 25 11.056 1.241 -10.265 1.00 0.00 H new ATOM 0 HA LYS A 25 10.461 4.059 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.801 2.493 -10.395 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.561 3.763 -11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.248 4.692 -8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.838 4.038 -9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.410 5.780 -10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.850 5.804 -11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.898 7.241 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.006 6.755 -8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.245 8.507 -8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.540 7.895 -10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.220 8.929 -10.201 1.00 0.00 H new ATOM 400 N GLY A 26 10.369 4.772 -12.310 1.00 0.00 N ATOM 401 CA GLY A 26 9.769 5.128 -13.579 1.00 0.00 C ATOM 402 C GLY A 26 10.531 6.238 -14.265 1.00 0.00 C ATOM 403 O GLY A 26 11.058 7.133 -13.599 1.00 0.00 O ATOM 0 H GLY A 26 10.975 5.488 -11.909 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.740 4.252 -14.227 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.737 5.440 -13.419 1.00 0.00 H new ATOM 407 N ALA A 27 10.597 6.191 -15.593 1.00 0.00 N ATOM 408 CA ALA A 27 11.308 7.218 -16.341 1.00 0.00 C ATOM 409 C ALA A 27 10.569 8.548 -16.241 1.00 0.00 C ATOM 410 O ALA A 27 9.337 8.576 -16.241 1.00 0.00 O ATOM 411 CB ALA A 27 11.489 6.812 -17.795 1.00 0.00 C ATOM 0 H ALA A 27 10.172 5.462 -16.165 1.00 0.00 H new ATOM 0 HA ALA A 27 12.299 7.334 -15.903 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.023 7.598 -18.329 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.062 5.886 -17.846 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.512 6.660 -18.255 1.00 0.00 H new ATOM 417 N GLY A 28 11.321 9.646 -16.123 1.00 0.00 N ATOM 418 CA GLY A 28 10.697 10.953 -15.980 1.00 0.00 C ATOM 419 C GLY A 28 9.769 10.974 -14.779 1.00 0.00 C ATOM 420 O GLY A 28 8.711 11.607 -14.802 1.00 0.00 O ATOM 0 H GLY A 28 12.341 9.653 -16.124 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.465 11.718 -15.866 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.137 11.195 -16.883 1.00 0.00 H new ATOM 424 N GLN A 29 10.168 10.239 -13.739 1.00 0.00 N ATOM 425 CA GLN A 29 9.394 10.116 -12.521 1.00 0.00 C ATOM 426 C GLN A 29 10.303 10.226 -11.304 1.00 0.00 C ATOM 427 O GLN A 29 11.100 9.324 -11.030 1.00 0.00 O ATOM 428 CB GLN A 29 8.669 8.773 -12.520 1.00 0.00 C ATOM 429 CG GLN A 29 7.162 8.901 -12.615 1.00 0.00 C ATOM 430 CD GLN A 29 6.472 8.469 -11.341 1.00 0.00 C ATOM 431 OE1 GLN A 29 5.567 9.143 -10.853 1.00 0.00 O ATOM 432 NE2 GLN A 29 6.898 7.337 -10.794 1.00 0.00 N ATOM 0 H GLN A 29 11.042 9.714 -13.727 1.00 0.00 H new ATOM 0 HA GLN A 29 8.662 10.922 -12.475 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.029 8.174 -13.357 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.923 8.232 -11.608 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.900 9.936 -12.835 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.799 8.296 -13.446 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.652 6.810 -11.234 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.471 6.994 -9.934 1.00 0.00 H new ATOM 441 N ASP A 30 10.181 11.332 -10.577 1.00 0.00 N ATOM 442 CA ASP A 30 10.993 11.558 -9.386 1.00 0.00 C ATOM 443 C ASP A 30 10.316 10.978 -8.134 1.00 0.00 C ATOM 444 O ASP A 30 10.535 11.457 -7.020 1.00 0.00 O ATOM 445 CB ASP A 30 11.261 13.057 -9.207 1.00 0.00 C ATOM 446 CG ASP A 30 12.547 13.324 -8.450 1.00 0.00 C ATOM 447 OD1 ASP A 30 13.630 13.187 -9.057 1.00 0.00 O ATOM 448 OD2 ASP A 30 12.471 13.667 -7.250 1.00 0.00 O ATOM 0 H ASP A 30 9.528 12.086 -10.791 1.00 0.00 H new ATOM 0 HA ASP A 30 11.944 11.043 -9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.312 13.534 -10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.427 13.512 -8.673 1.00 0.00 H new ATOM 453 N LYS A 31 9.495 9.939 -8.322 1.00 0.00 N ATOM 454 CA LYS A 31 8.798 9.298 -7.211 1.00 0.00 C ATOM 455 C LYS A 31 8.903 7.777 -7.319 1.00 0.00 C ATOM 456 O LYS A 31 9.622 7.254 -8.175 1.00 0.00 O ATOM 457 CB LYS A 31 7.323 9.726 -7.183 1.00 0.00 C ATOM 458 CG LYS A 31 7.109 11.207 -7.461 1.00 0.00 C ATOM 459 CD LYS A 31 6.493 11.429 -8.834 1.00 0.00 C ATOM 460 CE LYS A 31 5.468 12.555 -8.819 1.00 0.00 C ATOM 461 NZ LYS A 31 6.039 13.843 -9.309 1.00 0.00 N ATOM 0 H LYS A 31 9.300 9.527 -9.234 1.00 0.00 H new ATOM 0 HA LYS A 31 9.271 9.615 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.771 9.144 -7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.902 9.484 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.460 11.633 -6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.062 11.732 -7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.279 11.663 -9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.017 10.509 -9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.617 12.277 -9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.092 12.689 -7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.306 14.580 -9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.835 14.123 -8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.374 13.725 -10.286 1.00 0.00 H new ATOM 475 N LEU A 32 8.184 7.070 -6.448 1.00 0.00 N ATOM 476 CA LEU A 32 8.198 5.611 -6.447 1.00 0.00 C ATOM 477 C LEU A 32 6.818 5.053 -6.116 1.00 0.00 C ATOM 478 O LEU A 32 6.174 5.494 -5.160 1.00 0.00 O ATOM 479 CB LEU A 32 9.228 5.085 -5.445 1.00 0.00 C ATOM 480 CG LEU A 32 10.370 4.275 -6.065 1.00 0.00 C ATOM 481 CD1 LEU A 32 11.635 5.115 -6.169 1.00 0.00 C ATOM 482 CD2 LEU A 32 10.627 3.010 -5.259 1.00 0.00 C ATOM 0 H LEU A 32 7.585 7.486 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 32 8.475 5.278 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.653 5.931 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.716 4.462 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 32 10.074 3.984 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.432 4.519 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.443 5.986 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.937 5.443 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.442 2.447 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.898 3.278 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.726 2.397 -5.246 1.00 0.00 H new ATOM 494 N GLY A 33 6.376 4.078 -6.908 1.00 0.00 N ATOM 495 CA GLY A 33 5.081 3.468 -6.684 1.00 0.00 C ATOM 496 C GLY A 33 5.176 2.228 -5.816 1.00 0.00 C ATOM 497 O GLY A 33 5.849 1.264 -6.183 1.00 0.00 O ATOM 0 H GLY A 33 6.895 3.701 -7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.417 4.191 -6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.634 3.205 -7.643 1.00 0.00 H new ATOM 501 N ILE A 34 4.506 2.250 -4.664 1.00 0.00 N ATOM 502 CA ILE A 34 4.523 1.111 -3.748 1.00 0.00 C ATOM 503 C ILE A 34 3.408 0.130 -4.093 1.00 0.00 C ATOM 504 O ILE A 34 2.235 0.387 -3.825 1.00 0.00 O ATOM 505 CB ILE A 34 4.380 1.552 -2.273 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.332 2.712 -1.970 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.647 0.380 -1.334 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.789 2.401 -2.258 1.00 0.00 C ATOM 0 H ILE A 34 3.947 3.041 -4.344 1.00 0.00 H new ATOM 0 HA ILE A 34 5.491 0.623 -3.865 1.00 0.00 H new ATOM 0 HB ILE A 34 3.357 1.892 -2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.032 3.579 -2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.230 2.989 -0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.542 0.710 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.932 -0.417 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.659 0.008 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.401 3.271 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.108 1.555 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.907 2.154 -3.313 1.00 0.00 H new ATOM 520 N TYR A 35 3.785 -0.991 -4.699 1.00 0.00 N ATOM 521 CA TYR A 35 2.823 -2.013 -5.097 1.00 0.00 C ATOM 522 C TYR A 35 2.777 -3.155 -4.083 1.00 0.00 C ATOM 523 O TYR A 35 3.621 -3.233 -3.193 1.00 0.00 O ATOM 524 CB TYR A 35 3.185 -2.552 -6.483 1.00 0.00 C ATOM 525 CG TYR A 35 3.274 -1.472 -7.540 1.00 0.00 C ATOM 526 CD1 TYR A 35 4.466 -0.794 -7.773 1.00 0.00 C ATOM 527 CD2 TYR A 35 2.167 -1.131 -8.305 1.00 0.00 C ATOM 528 CE1 TYR A 35 4.547 0.197 -8.731 1.00 0.00 C ATOM 529 CE2 TYR A 35 2.242 -0.141 -9.265 1.00 0.00 C ATOM 530 CZ TYR A 35 3.435 0.517 -9.477 1.00 0.00 C ATOM 531 OH TYR A 35 3.513 1.505 -10.434 1.00 0.00 O ATOM 0 H TYR A 35 4.754 -1.215 -4.926 1.00 0.00 H new ATOM 0 HA TYR A 35 1.834 -1.557 -5.132 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.140 -3.073 -6.424 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.439 -3.287 -6.786 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.343 -1.047 -7.195 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.232 -1.648 -8.147 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.478 0.719 -8.894 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.370 0.117 -9.847 1.00 0.00 H new ATOM 0 HH TYR A 35 2.660 1.986 -10.478 1.00 0.00 H new ATOM 541 N VAL A 36 1.790 -4.040 -4.225 1.00 0.00 N ATOM 542 CA VAL A 36 1.644 -5.181 -3.320 1.00 0.00 C ATOM 543 C VAL A 36 2.274 -6.437 -3.917 1.00 0.00 C ATOM 544 O VAL A 36 2.146 -6.702 -5.112 1.00 0.00 O ATOM 545 CB VAL A 36 0.161 -5.469 -2.986 1.00 0.00 C ATOM 546 CG1 VAL A 36 0.046 -6.569 -1.937 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.539 -4.203 -2.513 1.00 0.00 C ATOM 0 H VAL A 36 1.081 -3.989 -4.956 1.00 0.00 H new ATOM 0 HA VAL A 36 2.162 -4.915 -2.399 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.331 -5.813 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.006 -6.754 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.504 -7.482 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.557 -6.258 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.581 -4.427 -2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.043 -3.826 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.495 -3.448 -3.298 1.00 0.00 H new ATOM 557 N LYS A 37 2.948 -7.204 -3.068 1.00 0.00 N ATOM 558 CA LYS A 37 3.600 -8.440 -3.485 1.00 0.00 C ATOM 559 C LYS A 37 2.754 -9.653 -3.104 1.00 0.00 C ATOM 560 O LYS A 37 2.574 -10.566 -3.911 1.00 0.00 O ATOM 561 CB LYS A 37 4.983 -8.554 -2.839 1.00 0.00 C ATOM 562 CG LYS A 37 5.792 -9.741 -3.338 1.00 0.00 C ATOM 563 CD LYS A 37 6.242 -9.546 -4.778 1.00 0.00 C ATOM 564 CE LYS A 37 6.237 -10.858 -5.550 1.00 0.00 C ATOM 565 NZ LYS A 37 7.456 -11.017 -6.395 1.00 0.00 N ATOM 0 H LYS A 37 3.058 -6.989 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 37 3.710 -8.416 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.541 -7.638 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.865 -8.634 -1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.664 -9.882 -2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.192 -10.648 -3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.584 -8.830 -5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.245 -9.119 -4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.171 -11.690 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.350 -10.903 -6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.411 -11.924 -6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.506 -10.238 -7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.302 -11.001 -5.790 1.00 0.00 H new ATOM 579 N SER A 38 2.246 -9.653 -1.866 1.00 0.00 N ATOM 580 CA SER A 38 1.426 -10.754 -1.360 1.00 0.00 C ATOM 581 C SER A 38 0.619 -10.318 -0.133 1.00 0.00 C ATOM 582 O SER A 38 0.847 -9.240 0.421 1.00 0.00 O ATOM 583 CB SER A 38 2.310 -11.956 -0.994 1.00 0.00 C ATOM 584 OG SER A 38 3.163 -12.325 -2.067 1.00 0.00 O ATOM 0 H SER A 38 2.391 -8.898 -1.195 1.00 0.00 H new ATOM 0 HA SER A 38 0.733 -11.044 -2.149 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.911 -11.712 -0.118 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.679 -12.803 -0.722 1.00 0.00 H new ATOM 0 HG SER A 38 2.806 -11.967 -2.907 1.00 0.00 H new ATOM 590 N VAL A 39 -0.318 -11.167 0.289 1.00 0.00 N ATOM 591 CA VAL A 39 -1.153 -10.879 1.452 1.00 0.00 C ATOM 592 C VAL A 39 -1.211 -12.086 2.383 1.00 0.00 C ATOM 593 O VAL A 39 -1.725 -13.144 2.015 1.00 0.00 O ATOM 594 CB VAL A 39 -2.585 -10.472 1.044 1.00 0.00 C ATOM 595 CG1 VAL A 39 -2.606 -9.036 0.539 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.142 -11.423 -0.008 1.00 0.00 C ATOM 0 H VAL A 39 -0.517 -12.061 -0.159 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.696 -10.038 1.974 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.223 -10.536 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.623 -8.765 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.259 -8.368 1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.951 -8.946 -0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.152 -11.115 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.506 -11.400 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.167 -12.436 0.394 1.00 0.00 H new ATOM 606 N VAL A 40 -0.669 -11.923 3.587 1.00 0.00 N ATOM 607 CA VAL A 40 -0.648 -13.003 4.571 1.00 0.00 C ATOM 608 C VAL A 40 -2.046 -13.276 5.117 1.00 0.00 C ATOM 609 O VAL A 40 -2.730 -12.364 5.588 1.00 0.00 O ATOM 610 CB VAL A 40 0.304 -12.688 5.747 1.00 0.00 C ATOM 611 CG1 VAL A 40 0.407 -13.874 6.693 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.682 -12.286 5.235 1.00 0.00 C ATOM 0 H VAL A 40 -0.239 -11.055 3.905 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.282 -13.890 4.054 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.112 -11.847 6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.082 -13.628 7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.580 -14.107 7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.792 -14.738 6.152 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.335 -12.069 6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.105 -13.102 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.593 -11.399 4.608 1.00 0.00 H new ATOM 622 N LYS A 41 -2.463 -14.539 5.048 1.00 0.00 N ATOM 623 CA LYS A 41 -3.780 -14.947 5.534 1.00 0.00 C ATOM 624 C LYS A 41 -3.934 -14.647 7.023 1.00 0.00 C ATOM 625 O LYS A 41 -2.958 -14.674 7.776 1.00 0.00 O ATOM 626 CB LYS A 41 -4.001 -16.442 5.281 1.00 0.00 C ATOM 627 CG LYS A 41 -4.967 -16.733 4.144 1.00 0.00 C ATOM 628 CD LYS A 41 -4.245 -16.827 2.809 1.00 0.00 C ATOM 629 CE LYS A 41 -4.952 -17.779 1.856 1.00 0.00 C ATOM 630 NZ LYS A 41 -4.456 -17.645 0.457 1.00 0.00 N ATOM 0 H LYS A 41 -1.906 -15.300 4.659 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.530 -14.375 4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.042 -16.910 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.378 -16.904 6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.492 -17.668 4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.721 -15.948 4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.184 -15.837 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.222 -17.167 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.806 -18.805 2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.024 -17.585 1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.965 -18.312 -0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.618 -16.674 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.438 -17.856 0.428 1.00 0.00 H new ATOM 644 N GLY A 42 -5.167 -14.362 7.439 1.00 0.00 N ATOM 645 CA GLY A 42 -5.432 -14.058 8.836 1.00 0.00 C ATOM 646 C GLY A 42 -5.523 -12.567 9.112 1.00 0.00 C ATOM 647 O GLY A 42 -6.157 -12.158 10.086 1.00 0.00 O ATOM 0 H GLY A 42 -5.987 -14.336 6.833 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.365 -14.535 9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.642 -14.488 9.452 1.00 0.00 H new ATOM 651 N GLY A 43 -4.895 -11.753 8.258 1.00 0.00 N ATOM 652 CA GLY A 43 -4.930 -10.313 8.438 1.00 0.00 C ATOM 653 C GLY A 43 -6.302 -9.721 8.148 1.00 0.00 C ATOM 654 O GLY A 43 -7.293 -10.447 8.053 1.00 0.00 O ATOM 0 H GLY A 43 -4.364 -12.069 7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.643 -10.071 9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.193 -9.850 7.782 1.00 0.00 H new ATOM 658 N ALA A 44 -6.363 -8.400 8.008 1.00 0.00 N ATOM 659 CA ALA A 44 -7.624 -7.718 7.732 1.00 0.00 C ATOM 660 C ALA A 44 -7.875 -7.586 6.234 1.00 0.00 C ATOM 661 O ALA A 44 -8.939 -7.964 5.743 1.00 0.00 O ATOM 662 CB ALA A 44 -7.639 -6.341 8.386 1.00 0.00 C ATOM 0 H ALA A 44 -5.556 -7.781 8.081 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.424 -8.325 8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.586 -5.846 8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.523 -6.449 9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.818 -5.742 7.991 1.00 0.00 H new ATOM 668 N ALA A 45 -6.895 -7.035 5.517 1.00 0.00 N ATOM 669 CA ALA A 45 -7.010 -6.832 4.071 1.00 0.00 C ATOM 670 C ALA A 45 -7.447 -8.105 3.346 1.00 0.00 C ATOM 671 O ALA A 45 -8.220 -8.042 2.388 1.00 0.00 O ATOM 672 CB ALA A 45 -5.692 -6.325 3.499 1.00 0.00 C ATOM 0 H ALA A 45 -6.010 -6.720 5.915 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.783 -6.081 3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.794 -6.179 2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.431 -5.377 3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.906 -7.055 3.693 1.00 0.00 H new ATOM 678 N ASP A 46 -6.942 -9.251 3.800 1.00 0.00 N ATOM 679 CA ASP A 46 -7.272 -10.532 3.185 1.00 0.00 C ATOM 680 C ASP A 46 -8.726 -10.920 3.439 1.00 0.00 C ATOM 681 O ASP A 46 -9.479 -11.170 2.497 1.00 0.00 O ATOM 682 CB ASP A 46 -6.334 -11.631 3.701 1.00 0.00 C ATOM 683 CG ASP A 46 -6.013 -12.677 2.646 1.00 0.00 C ATOM 684 OD1 ASP A 46 -6.009 -12.337 1.441 1.00 0.00 O ATOM 685 OD2 ASP A 46 -5.764 -13.841 3.025 1.00 0.00 O ATOM 0 H ASP A 46 -6.303 -9.317 4.592 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.138 -10.424 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.406 -11.176 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.792 -12.119 4.561 1.00 0.00 H new ATOM 690 N VAL A 47 -9.115 -10.970 4.713 1.00 0.00 N ATOM 691 CA VAL A 47 -10.483 -11.332 5.083 1.00 0.00 C ATOM 692 C VAL A 47 -11.495 -10.308 4.561 1.00 0.00 C ATOM 693 O VAL A 47 -12.634 -10.658 4.248 1.00 0.00 O ATOM 694 CB VAL A 47 -10.644 -11.471 6.614 1.00 0.00 C ATOM 695 CG1 VAL A 47 -12.043 -11.966 6.961 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.582 -12.402 7.189 1.00 0.00 C ATOM 0 H VAL A 47 -8.504 -10.765 5.504 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.682 -12.298 4.619 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.507 -10.487 7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.138 -12.058 8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.782 -11.256 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.210 -12.939 6.498 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.716 -12.484 8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.679 -13.388 6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.592 -12.000 6.976 1.00 0.00 H new ATOM 706 N ASP A 48 -11.071 -9.045 4.468 1.00 0.00 N ATOM 707 CA ASP A 48 -11.938 -7.973 3.983 1.00 0.00 C ATOM 708 C ASP A 48 -12.295 -8.178 2.509 1.00 0.00 C ATOM 709 O ASP A 48 -13.473 -8.245 2.154 1.00 0.00 O ATOM 710 CB ASP A 48 -11.258 -6.611 4.176 1.00 0.00 C ATOM 711 CG ASP A 48 -11.545 -5.998 5.535 1.00 0.00 C ATOM 712 OD1 ASP A 48 -12.728 -5.720 5.824 1.00 0.00 O ATOM 713 OD2 ASP A 48 -10.585 -5.790 6.309 1.00 0.00 O ATOM 0 H ASP A 48 -10.131 -8.742 4.723 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.860 -7.996 4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.181 -6.727 4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.595 -5.928 3.396 1.00 0.00 H new ATOM 718 N GLY A 49 -11.272 -8.276 1.656 1.00 0.00 N ATOM 719 CA GLY A 49 -11.501 -8.472 0.234 1.00 0.00 C ATOM 720 C GLY A 49 -11.656 -7.164 -0.522 1.00 0.00 C ATOM 721 O GLY A 49 -12.675 -6.937 -1.176 1.00 0.00 O ATOM 0 H GLY A 49 -10.290 -8.223 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.669 -9.035 -0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.398 -9.076 0.095 1.00 0.00 H new ATOM 725 N ARG A 50 -10.638 -6.306 -0.436 1.00 0.00 N ATOM 726 CA ARG A 50 -10.656 -5.014 -1.123 1.00 0.00 C ATOM 727 C ARG A 50 -9.499 -4.906 -2.113 1.00 0.00 C ATOM 728 O ARG A 50 -9.687 -4.474 -3.251 1.00 0.00 O ATOM 729 CB ARG A 50 -10.590 -3.860 -0.117 1.00 0.00 C ATOM 730 CG ARG A 50 -11.936 -3.198 0.133 1.00 0.00 C ATOM 731 CD ARG A 50 -12.261 -2.167 -0.939 1.00 0.00 C ATOM 732 NE ARG A 50 -13.082 -2.729 -2.013 1.00 0.00 N ATOM 733 CZ ARG A 50 -14.404 -2.922 -1.926 1.00 0.00 C ATOM 734 NH1 ARG A 50 -15.062 -2.604 -0.812 1.00 0.00 N ATOM 735 NH2 ARG A 50 -15.070 -3.436 -2.956 1.00 0.00 N ATOM 0 H ARG A 50 -9.790 -6.483 0.103 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.594 -4.946 -1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.196 -4.234 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.887 -3.111 -0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.717 -3.958 0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.930 -2.717 1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.785 -1.326 -0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.334 -1.776 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.617 -2.990 -2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.559 -2.210 -0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.069 -2.754 -0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.574 -3.683 -3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.077 -3.583 -2.890 1.00 0.00 H new ATOM 749 N LEU A 51 -8.303 -5.299 -1.671 1.00 0.00 N ATOM 750 CA LEU A 51 -7.111 -5.249 -2.515 1.00 0.00 C ATOM 751 C LEU A 51 -6.392 -6.597 -2.523 1.00 0.00 C ATOM 752 O LEU A 51 -6.787 -7.525 -1.813 1.00 0.00 O ATOM 753 CB LEU A 51 -6.160 -4.148 -2.026 1.00 0.00 C ATOM 754 CG LEU A 51 -5.899 -4.132 -0.516 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.874 -5.191 -0.129 1.00 0.00 C ATOM 756 CD2 LEU A 51 -5.438 -2.753 -0.071 1.00 0.00 C ATOM 0 H LEU A 51 -8.136 -5.656 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.425 -5.021 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.206 -4.259 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.570 -3.181 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.834 -4.366 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.706 -5.159 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.246 -6.177 -0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.936 -4.996 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.257 -2.759 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.517 -2.491 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.209 -2.019 -0.305 1.00 0.00 H new ATOM 768 N ALA A 52 -5.335 -6.697 -3.330 1.00 0.00 N ATOM 769 CA ALA A 52 -4.554 -7.927 -3.438 1.00 0.00 C ATOM 770 C ALA A 52 -3.150 -7.648 -3.976 1.00 0.00 C ATOM 771 O ALA A 52 -2.761 -6.492 -4.151 1.00 0.00 O ATOM 772 CB ALA A 52 -5.278 -8.928 -4.331 1.00 0.00 C ATOM 0 H ALA A 52 -5.000 -5.936 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.448 -8.352 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.688 -9.842 -4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.253 -9.159 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.411 -8.500 -5.324 1.00 0.00 H new ATOM 778 N ALA A 53 -2.392 -8.717 -4.234 1.00 0.00 N ATOM 779 CA ALA A 53 -1.032 -8.592 -4.752 1.00 0.00 C ATOM 780 C ALA A 53 -1.032 -8.046 -6.181 1.00 0.00 C ATOM 781 O ALA A 53 -1.725 -8.571 -7.054 1.00 0.00 O ATOM 782 CB ALA A 53 -0.323 -9.936 -4.699 1.00 0.00 C ATOM 0 H ALA A 53 -2.700 -9.679 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.494 -7.883 -4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.690 -9.829 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.280 -10.284 -3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.869 -10.660 -5.304 1.00 0.00 H new ATOM 788 N GLY A 54 -0.256 -6.985 -6.407 1.00 0.00 N ATOM 789 CA GLY A 54 -0.179 -6.377 -7.728 1.00 0.00 C ATOM 790 C GLY A 54 -0.985 -5.092 -7.828 1.00 0.00 C ATOM 791 O GLY A 54 -1.446 -4.727 -8.909 1.00 0.00 O ATOM 0 H GLY A 54 0.322 -6.535 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.864 -6.167 -7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.540 -7.087 -8.472 1.00 0.00 H new ATOM 795 N ASP A 55 -1.156 -4.406 -6.698 1.00 0.00 N ATOM 796 CA ASP A 55 -1.915 -3.162 -6.658 1.00 0.00 C ATOM 797 C ASP A 55 -1.025 -2.010 -6.206 1.00 0.00 C ATOM 798 O ASP A 55 -0.225 -2.166 -5.281 1.00 0.00 O ATOM 799 CB ASP A 55 -3.109 -3.301 -5.707 1.00 0.00 C ATOM 800 CG ASP A 55 -4.180 -4.247 -6.229 1.00 0.00 C ATOM 801 OD1 ASP A 55 -3.833 -5.372 -6.656 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.370 -3.864 -6.199 1.00 0.00 O ATOM 0 H ASP A 55 -0.776 -4.695 -5.796 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.282 -2.950 -7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.756 -3.659 -4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.550 -2.318 -5.541 1.00 0.00 H new ATOM 807 N GLN A 56 -1.166 -0.854 -6.859 1.00 0.00 N ATOM 808 CA GLN A 56 -0.366 0.321 -6.512 1.00 0.00 C ATOM 809 C GLN A 56 -0.970 1.071 -5.324 1.00 0.00 C ATOM 810 O GLN A 56 -2.182 1.028 -5.099 1.00 0.00 O ATOM 811 CB GLN A 56 -0.230 1.270 -7.710 1.00 0.00 C ATOM 812 CG GLN A 56 0.944 2.233 -7.582 1.00 0.00 C ATOM 813 CD GLN A 56 1.034 3.222 -8.729 1.00 0.00 C ATOM 814 OE1 GLN A 56 0.679 2.913 -9.867 1.00 0.00 O ATOM 815 NE2 GLN A 56 1.513 4.426 -8.431 1.00 0.00 N ATOM 0 H GLN A 56 -1.822 -0.708 -7.626 1.00 0.00 H new ATOM 0 HA GLN A 56 0.626 -0.035 -6.232 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.112 0.682 -8.620 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.151 1.843 -7.818 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.855 2.781 -6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.871 1.661 -7.530 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.796 4.640 -7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.598 5.136 -9.159 1.00 0.00 H new ATOM 824 N LEU A 57 -0.108 1.755 -4.568 1.00 0.00 N ATOM 825 CA LEU A 57 -0.538 2.519 -3.395 1.00 0.00 C ATOM 826 C LEU A 57 -0.208 4.002 -3.556 1.00 0.00 C ATOM 827 O LEU A 57 0.828 4.358 -4.123 1.00 0.00 O ATOM 828 CB LEU A 57 0.143 1.975 -2.132 1.00 0.00 C ATOM 829 CG LEU A 57 -0.544 0.775 -1.468 1.00 0.00 C ATOM 830 CD1 LEU A 57 -0.746 -0.359 -2.464 1.00 0.00 C ATOM 831 CD2 LEU A 57 0.270 0.292 -0.275 1.00 0.00 C ATOM 0 H LEU A 57 0.895 1.795 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.619 2.412 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.164 1.690 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.210 2.781 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.524 1.098 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.235 -1.197 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.369 -0.012 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.221 -0.680 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.230 -0.560 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.263 -0.008 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.360 1.097 0.454 1.00 0.00 H new ATOM 843 N LEU A 58 -1.091 4.862 -3.048 1.00 0.00 N ATOM 844 CA LEU A 58 -0.888 6.306 -3.129 1.00 0.00 C ATOM 845 C LEU A 58 -0.731 6.921 -1.738 1.00 0.00 C ATOM 846 O LEU A 58 0.303 7.516 -1.430 1.00 0.00 O ATOM 847 CB LEU A 58 -2.055 6.974 -3.865 1.00 0.00 C ATOM 848 CG LEU A 58 -1.690 7.650 -5.192 1.00 0.00 C ATOM 849 CD1 LEU A 58 -2.947 8.068 -5.939 1.00 0.00 C ATOM 850 CD2 LEU A 58 -0.788 8.853 -4.953 1.00 0.00 C ATOM 0 H LEU A 58 -1.952 4.583 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 58 0.031 6.480 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.820 6.222 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.500 7.720 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.146 6.931 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.670 8.546 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.557 7.189 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.516 8.769 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.541 9.318 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.304 9.575 -4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.128 8.529 -4.460 1.00 0.00 H new ATOM 862 N SER A 59 -1.765 6.776 -0.905 1.00 0.00 N ATOM 863 CA SER A 59 -1.746 7.321 0.451 1.00 0.00 C ATOM 864 C SER A 59 -1.984 6.231 1.492 1.00 0.00 C ATOM 865 O SER A 59 -2.567 5.185 1.192 1.00 0.00 O ATOM 866 CB SER A 59 -2.804 8.418 0.595 1.00 0.00 C ATOM 867 OG SER A 59 -2.285 9.677 0.205 1.00 0.00 O ATOM 0 H SER A 59 -2.625 6.285 -1.148 1.00 0.00 H new ATOM 0 HA SER A 59 -0.758 7.747 0.625 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.673 8.173 -0.016 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.145 8.466 1.629 1.00 0.00 H new ATOM 0 HG SER A 59 -1.539 9.920 0.793 1.00 0.00 H new ATOM 873 N VAL A 60 -1.525 6.487 2.718 1.00 0.00 N ATOM 874 CA VAL A 60 -1.679 5.534 3.813 1.00 0.00 C ATOM 875 C VAL A 60 -1.974 6.250 5.127 1.00 0.00 C ATOM 876 O VAL A 60 -1.176 7.072 5.584 1.00 0.00 O ATOM 877 CB VAL A 60 -0.411 4.671 3.989 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.661 3.541 4.979 1.00 0.00 C ATOM 879 CG2 VAL A 60 0.052 4.127 2.646 1.00 0.00 C ATOM 0 H VAL A 60 -1.043 7.348 2.976 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.519 4.889 3.555 1.00 0.00 H new ATOM 0 HB VAL A 60 0.382 5.300 4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.245 2.945 5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.939 3.960 5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.469 2.908 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.947 3.521 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.737 3.513 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.278 4.956 1.976 1.00 0.00 H new ATOM 889 N ASP A 61 -3.122 5.928 5.730 1.00 0.00 N ATOM 890 CA ASP A 61 -3.529 6.535 6.999 1.00 0.00 C ATOM 891 C ASP A 61 -3.585 8.063 6.890 1.00 0.00 C ATOM 892 O ASP A 61 -3.259 8.778 7.841 1.00 0.00 O ATOM 893 CB ASP A 61 -2.568 6.115 8.117 1.00 0.00 C ATOM 894 CG ASP A 61 -3.290 5.511 9.304 1.00 0.00 C ATOM 895 OD1 ASP A 61 -3.764 4.363 9.186 1.00 0.00 O ATOM 896 OD2 ASP A 61 -3.377 6.186 10.353 1.00 0.00 O ATOM 0 H ASP A 61 -3.786 5.249 5.358 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.531 6.179 7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.852 5.392 7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.997 6.983 8.446 1.00 0.00 H new ATOM 901 N GLY A 62 -3.998 8.557 5.720 1.00 0.00 N ATOM 902 CA GLY A 62 -4.087 9.992 5.501 1.00 0.00 C ATOM 903 C GLY A 62 -2.723 10.654 5.336 1.00 0.00 C ATOM 904 O GLY A 62 -2.594 11.863 5.530 1.00 0.00 O ATOM 0 H GLY A 62 -4.272 7.986 4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.687 10.182 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.608 10.451 6.341 1.00 0.00 H new ATOM 908 N ARG A 63 -1.706 9.862 4.976 1.00 0.00 N ATOM 909 CA ARG A 63 -0.354 10.380 4.783 1.00 0.00 C ATOM 910 C ARG A 63 0.062 10.274 3.320 1.00 0.00 C ATOM 911 O ARG A 63 -0.336 9.339 2.620 1.00 0.00 O ATOM 912 CB ARG A 63 0.642 9.616 5.661 1.00 0.00 C ATOM 913 CG ARG A 63 0.194 9.460 7.105 1.00 0.00 C ATOM 914 CD ARG A 63 1.357 9.111 8.017 1.00 0.00 C ATOM 915 NE ARG A 63 1.416 7.681 8.317 1.00 0.00 N ATOM 916 CZ ARG A 63 0.667 7.078 9.245 1.00 0.00 C ATOM 917 NH1 ARG A 63 -0.250 7.763 9.927 1.00 0.00 N ATOM 918 NH2 ARG A 63 0.826 5.779 9.479 1.00 0.00 N ATOM 0 H ARG A 63 -1.798 8.859 4.813 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.351 11.431 5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.806 8.627 5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.601 10.134 5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.270 10.386 7.445 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.566 8.681 7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.290 9.420 7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.268 9.672 8.947 1.00 0.00 H new ATOM 0 HE ARG A 63 2.070 7.108 7.784 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.385 8.757 9.743 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.817 7.293 10.633 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.518 5.247 8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.256 5.315 10.186 1.00 0.00 H new ATOM 932 N SER A 64 0.866 11.236 2.867 1.00 0.00 N ATOM 933 CA SER A 64 1.344 11.260 1.486 1.00 0.00 C ATOM 934 C SER A 64 2.785 10.765 1.399 1.00 0.00 C ATOM 935 O SER A 64 3.722 11.488 1.740 1.00 0.00 O ATOM 936 CB SER A 64 1.244 12.676 0.911 1.00 0.00 C ATOM 937 OG SER A 64 -0.106 13.103 0.844 1.00 0.00 O ATOM 0 H SER A 64 1.201 12.011 3.439 1.00 0.00 H new ATOM 0 HA SER A 64 0.713 10.592 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.817 13.365 1.531 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.687 12.700 -0.085 1.00 0.00 H new ATOM 0 HG SER A 64 -0.144 14.010 0.475 1.00 0.00 H new ATOM 943 N LEU A 65 2.955 9.526 0.936 1.00 0.00 N ATOM 944 CA LEU A 65 4.284 8.931 0.800 1.00 0.00 C ATOM 945 C LEU A 65 4.680 8.795 -0.673 1.00 0.00 C ATOM 946 O LEU A 65 5.245 7.779 -1.087 1.00 0.00 O ATOM 947 CB LEU A 65 4.334 7.567 1.501 1.00 0.00 C ATOM 948 CG LEU A 65 3.295 6.544 1.030 1.00 0.00 C ATOM 949 CD1 LEU A 65 3.921 5.534 0.078 1.00 0.00 C ATOM 950 CD2 LEU A 65 2.672 5.840 2.225 1.00 0.00 C ATOM 0 H LEU A 65 2.190 8.916 0.649 1.00 0.00 H new ATOM 0 HA LEU A 65 5.003 9.595 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.327 7.141 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.204 7.724 2.572 1.00 0.00 H new ATOM 0 HG LEU A 65 2.510 7.074 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.164 4.818 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.321 6.054 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.727 5.006 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.935 5.116 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.449 5.325 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.184 6.574 2.866 1.00 0.00 H new ATOM 962 N VAL A 66 4.389 9.829 -1.460 1.00 0.00 N ATOM 963 CA VAL A 66 4.721 9.825 -2.878 1.00 0.00 C ATOM 964 C VAL A 66 6.133 10.352 -3.105 1.00 0.00 C ATOM 965 O VAL A 66 6.370 11.563 -3.110 1.00 0.00 O ATOM 966 CB VAL A 66 3.710 10.651 -3.699 1.00 0.00 C ATOM 967 CG1 VAL A 66 4.175 10.802 -5.142 1.00 0.00 C ATOM 968 CG2 VAL A 66 2.337 10.001 -3.637 1.00 0.00 C ATOM 0 H VAL A 66 3.925 10.678 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 66 4.671 8.791 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 66 3.643 11.649 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.445 11.388 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.140 11.309 -5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.274 9.817 -5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.629 10.590 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.393 8.993 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.003 9.953 -2.600 1.00 0.00 H new ATOM 978 N GLY A 67 7.064 9.422 -3.283 1.00 0.00 N ATOM 979 CA GLY A 67 8.458 9.778 -3.502 1.00 0.00 C ATOM 980 C GLY A 67 9.356 9.330 -2.361 1.00 0.00 C ATOM 981 O GLY A 67 10.256 10.064 -1.948 1.00 0.00 O ATOM 0 H GLY A 67 6.878 8.419 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.804 9.326 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.540 10.858 -3.623 1.00 0.00 H new ATOM 985 N LEU A 68 9.107 8.124 -1.852 1.00 0.00 N ATOM 986 CA LEU A 68 9.891 7.571 -0.753 1.00 0.00 C ATOM 987 C LEU A 68 10.405 6.180 -1.102 1.00 0.00 C ATOM 988 O LEU A 68 9.838 5.495 -1.957 1.00 0.00 O ATOM 989 CB LEU A 68 9.039 7.499 0.519 1.00 0.00 C ATOM 990 CG LEU A 68 8.986 8.782 1.352 1.00 0.00 C ATOM 991 CD1 LEU A 68 8.211 8.542 2.639 1.00 0.00 C ATOM 992 CD2 LEU A 68 10.391 9.286 1.657 1.00 0.00 C ATOM 0 H LEU A 68 8.364 7.510 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 68 10.744 8.227 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.022 7.227 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.423 6.695 1.147 1.00 0.00 H new ATOM 0 HG LEU A 68 8.470 9.549 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.181 9.462 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.194 8.231 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.702 7.761 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.329 10.199 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.937 8.526 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.913 9.494 0.723 1.00 0.00 H new ATOM 1004 N SER A 69 11.474 5.761 -0.427 1.00 0.00 N ATOM 1005 CA SER A 69 12.053 4.442 -0.657 1.00 0.00 C ATOM 1006 C SER A 69 11.127 3.359 -0.109 1.00 0.00 C ATOM 1007 O SER A 69 10.278 3.633 0.743 1.00 0.00 O ATOM 1008 CB SER A 69 13.434 4.342 0.001 1.00 0.00 C ATOM 1009 OG SER A 69 13.332 4.360 1.416 1.00 0.00 O ATOM 0 H SER A 69 11.955 6.315 0.282 1.00 0.00 H new ATOM 0 HA SER A 69 12.170 4.295 -1.731 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.926 3.424 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.059 5.171 -0.332 1.00 0.00 H new ATOM 0 HG SER A 69 14.227 4.293 1.809 1.00 0.00 H new ATOM 1015 N GLN A 70 11.289 2.131 -0.597 1.00 0.00 N ATOM 1016 CA GLN A 70 10.460 1.015 -0.144 1.00 0.00 C ATOM 1017 C GLN A 70 10.521 0.871 1.376 1.00 0.00 C ATOM 1018 O GLN A 70 9.504 0.606 2.019 1.00 0.00 O ATOM 1019 CB GLN A 70 10.896 -0.290 -0.806 1.00 0.00 C ATOM 1020 CG GLN A 70 9.846 -1.384 -0.714 1.00 0.00 C ATOM 1021 CD GLN A 70 10.380 -2.746 -1.107 1.00 0.00 C ATOM 1022 OE1 GLN A 70 11.590 -2.961 -1.174 1.00 0.00 O ATOM 1023 NE2 GLN A 70 9.475 -3.680 -1.362 1.00 0.00 N ATOM 0 H GLN A 70 11.983 1.884 -1.303 1.00 0.00 H new ATOM 0 HA GLN A 70 9.431 1.229 -0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.123 -0.100 -1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.817 -0.638 -0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.464 -1.429 0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.005 -1.129 -1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.481 -3.459 -1.295 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.772 -4.620 -1.626 1.00 0.00 H new ATOM 1032 N GLU A 71 11.717 1.053 1.945 1.00 0.00 N ATOM 1033 CA GLU A 71 11.901 0.952 3.391 1.00 0.00 C ATOM 1034 C GLU A 71 10.977 1.928 4.115 1.00 0.00 C ATOM 1035 O GLU A 71 10.289 1.554 5.066 1.00 0.00 O ATOM 1036 CB GLU A 71 13.360 1.227 3.772 1.00 0.00 C ATOM 1037 CG GLU A 71 13.854 0.376 4.930 1.00 0.00 C ATOM 1038 CD GLU A 71 14.108 -1.065 4.529 1.00 0.00 C ATOM 1039 OE1 GLU A 71 13.126 -1.823 4.376 1.00 0.00 O ATOM 1040 OE2 GLU A 71 15.289 -1.436 4.367 1.00 0.00 O ATOM 0 H GLU A 71 12.568 1.270 1.426 1.00 0.00 H new ATOM 0 HA GLU A 71 11.649 -0.064 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.994 1.048 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.467 2.280 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.774 0.807 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.119 0.401 5.734 1.00 0.00 H new ATOM 1047 N ARG A 72 10.954 3.176 3.642 1.00 0.00 N ATOM 1048 CA ARG A 72 10.099 4.206 4.227 1.00 0.00 C ATOM 1049 C ARG A 72 8.627 3.902 3.953 1.00 0.00 C ATOM 1050 O ARG A 72 7.774 4.111 4.815 1.00 0.00 O ATOM 1051 CB ARG A 72 10.457 5.587 3.666 1.00 0.00 C ATOM 1052 CG ARG A 72 11.773 6.141 4.187 1.00 0.00 C ATOM 1053 CD ARG A 72 11.571 6.924 5.475 1.00 0.00 C ATOM 1054 NE ARG A 72 11.828 8.355 5.301 1.00 0.00 N ATOM 1055 CZ ARG A 72 11.393 9.302 6.139 1.00 0.00 C ATOM 1056 NH1 ARG A 72 10.678 8.979 7.214 1.00 0.00 N ATOM 1057 NH2 ARG A 72 11.675 10.579 5.900 1.00 0.00 N ATOM 0 H ARG A 72 11.519 3.496 2.855 1.00 0.00 H new ATOM 0 HA ARG A 72 10.264 4.210 5.304 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.505 5.525 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.657 6.286 3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.471 5.322 4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.222 6.787 3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.550 6.781 5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.233 6.529 6.245 1.00 0.00 H new ATOM 0 HE ARG A 72 12.373 8.648 4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.457 8.002 7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.351 9.709 7.847 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.222 10.835 5.078 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.344 11.302 6.538 1.00 0.00 H new ATOM 1071 N ALA A 73 8.341 3.402 2.746 1.00 0.00 N ATOM 1072 CA ALA A 73 6.976 3.059 2.355 1.00 0.00 C ATOM 1073 C ALA A 73 6.332 2.132 3.381 1.00 0.00 C ATOM 1074 O ALA A 73 5.313 2.476 3.981 1.00 0.00 O ATOM 1075 CB ALA A 73 6.963 2.416 0.977 1.00 0.00 C ATOM 0 H ALA A 73 9.040 3.227 2.024 1.00 0.00 H new ATOM 0 HA ALA A 73 6.393 3.979 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.938 2.167 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.376 3.112 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.565 1.508 0.994 1.00 0.00 H new ATOM 1081 N ALA A 74 6.946 0.964 3.595 1.00 0.00 N ATOM 1082 CA ALA A 74 6.433 0.005 4.572 1.00 0.00 C ATOM 1083 C ALA A 74 6.392 0.644 5.955 1.00 0.00 C ATOM 1084 O ALA A 74 5.314 0.876 6.496 1.00 0.00 O ATOM 1085 CB ALA A 74 7.279 -1.264 4.588 1.00 0.00 C ATOM 0 H ALA A 74 7.791 0.664 3.109 1.00 0.00 H new ATOM 0 HA ALA A 74 5.420 -0.275 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.876 -1.961 5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.260 -1.726 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.307 -1.013 4.851 1.00 0.00 H new ATOM 1091 N GLU A 75 7.579 0.937 6.506 1.00 0.00 N ATOM 1092 CA GLU A 75 7.722 1.573 7.824 1.00 0.00 C ATOM 1093 C GLU A 75 6.603 2.590 8.102 1.00 0.00 C ATOM 1094 O GLU A 75 6.084 2.654 9.217 1.00 0.00 O ATOM 1095 CB GLU A 75 9.086 2.263 7.923 1.00 0.00 C ATOM 1096 CG GLU A 75 9.579 2.444 9.352 1.00 0.00 C ATOM 1097 CD GLU A 75 11.050 2.106 9.517 1.00 0.00 C ATOM 1098 OE1 GLU A 75 11.876 2.635 8.741 1.00 0.00 O ATOM 1099 OE2 GLU A 75 11.376 1.315 10.426 1.00 0.00 O ATOM 0 H GLU A 75 8.469 0.739 6.049 1.00 0.00 H new ATOM 0 HA GLU A 75 7.646 0.788 8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.819 1.680 7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.025 3.240 7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.412 3.476 9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.990 1.813 10.017 1.00 0.00 H new ATOM 1106 N LEU A 76 6.240 3.381 7.085 1.00 0.00 N ATOM 1107 CA LEU A 76 5.185 4.391 7.225 1.00 0.00 C ATOM 1108 C LEU A 76 3.828 3.746 7.526 1.00 0.00 C ATOM 1109 O LEU A 76 3.130 4.158 8.453 1.00 0.00 O ATOM 1110 CB LEU A 76 5.087 5.235 5.949 1.00 0.00 C ATOM 1111 CG LEU A 76 5.922 6.519 5.935 1.00 0.00 C ATOM 1112 CD1 LEU A 76 5.742 7.249 4.612 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.539 7.423 7.099 1.00 0.00 C ATOM 0 H LEU A 76 6.661 3.341 6.157 1.00 0.00 H new ATOM 0 HA LEU A 76 5.450 5.033 8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.390 4.618 5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.042 5.502 5.791 1.00 0.00 H new ATOM 0 HG LEU A 76 6.972 6.249 6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.341 8.160 4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.065 6.605 3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.691 7.506 4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.144 8.329 7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.485 7.688 7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.714 6.900 8.039 1.00 0.00 H new ATOM 1125 N MET A 77 3.462 2.733 6.740 1.00 0.00 N ATOM 1126 CA MET A 77 2.192 2.026 6.930 1.00 0.00 C ATOM 1127 C MET A 77 2.231 1.176 8.202 1.00 0.00 C ATOM 1128 O MET A 77 1.220 1.010 8.877 1.00 0.00 O ATOM 1129 CB MET A 77 1.885 1.132 5.725 1.00 0.00 C ATOM 1130 CG MET A 77 2.177 1.779 4.378 1.00 0.00 C ATOM 1131 SD MET A 77 1.298 0.989 3.015 1.00 0.00 S ATOM 1132 CE MET A 77 1.499 -0.742 3.428 1.00 0.00 C ATOM 0 H MET A 77 4.026 2.383 5.966 1.00 0.00 H new ATOM 0 HA MET A 77 1.405 2.774 7.027 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.468 0.215 5.809 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.834 0.845 5.758 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.901 2.833 4.419 1.00 0.00 H new ATOM 0 HG3 MET A 77 3.249 1.737 4.185 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.407 -1.345 2.524 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.483 -0.899 3.870 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.730 -1.038 4.141 1.00 0.00 H new ATOM 1142 N THR A 78 3.412 0.644 8.518 1.00 0.00 N ATOM 1143 CA THR A 78 3.598 -0.183 9.709 1.00 0.00 C ATOM 1144 C THR A 78 3.333 0.628 10.983 1.00 0.00 C ATOM 1145 O THR A 78 2.910 0.075 12.000 1.00 0.00 O ATOM 1146 CB THR A 78 5.022 -0.763 9.741 1.00 0.00 C ATOM 1147 OG1 THR A 78 5.600 -0.760 8.454 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.099 -2.184 10.232 1.00 0.00 C ATOM 0 H THR A 78 4.258 0.772 7.962 1.00 0.00 H new ATOM 0 HA THR A 78 2.882 -1.004 9.667 1.00 0.00 H new ATOM 0 HB THR A 78 5.555 -0.115 10.437 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.505 -1.132 8.501 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.137 -2.516 10.223 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.709 -2.239 11.248 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.507 -2.827 9.580 1.00 0.00 H new ATOM 1156 N ARG A 79 3.581 1.944 10.922 1.00 0.00 N ATOM 1157 CA ARG A 79 3.370 2.826 12.071 1.00 0.00 C ATOM 1158 C ARG A 79 1.953 3.427 12.072 1.00 0.00 C ATOM 1159 O ARG A 79 1.772 4.616 12.354 1.00 0.00 O ATOM 1160 CB ARG A 79 4.433 3.938 12.079 1.00 0.00 C ATOM 1161 CG ARG A 79 4.285 4.957 10.957 1.00 0.00 C ATOM 1162 CD ARG A 79 4.577 6.371 11.437 1.00 0.00 C ATOM 1163 NE ARG A 79 5.998 6.578 11.724 1.00 0.00 N ATOM 1164 CZ ARG A 79 6.568 7.781 11.843 1.00 0.00 C ATOM 1165 NH1 ARG A 79 5.843 8.889 11.697 1.00 0.00 N ATOM 1166 NH2 ARG A 79 7.867 7.878 12.111 1.00 0.00 N ATOM 0 H ARG A 79 3.928 2.418 10.088 1.00 0.00 H new ATOM 0 HA ARG A 79 3.470 2.231 12.979 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.389 4.459 13.035 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.420 3.481 12.011 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.963 4.702 10.143 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.273 4.911 10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.254 7.084 10.678 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.994 6.575 12.335 1.00 0.00 H new ATOM 0 HE ARG A 79 6.588 5.754 11.840 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.846 8.823 11.493 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.285 9.804 11.789 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.428 7.034 12.226 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.302 8.796 12.202 1.00 0.00 H new ATOM 1180 N THR A 80 0.947 2.599 11.765 1.00 0.00 N ATOM 1181 CA THR A 80 -0.444 3.056 11.743 1.00 0.00 C ATOM 1182 C THR A 80 -1.167 2.688 13.039 1.00 0.00 C ATOM 1183 O THR A 80 -0.647 1.926 13.857 1.00 0.00 O ATOM 1184 CB THR A 80 -1.194 2.457 10.545 1.00 0.00 C ATOM 1185 OG1 THR A 80 -0.995 1.053 10.461 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.779 3.056 9.220 1.00 0.00 C ATOM 0 H THR A 80 1.071 1.614 11.530 1.00 0.00 H new ATOM 0 HA THR A 80 -0.431 4.142 11.648 1.00 0.00 H new ATOM 0 HB THR A 80 -2.243 2.692 10.725 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.219 0.866 9.892 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.347 2.589 8.416 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.976 4.128 9.228 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.285 2.884 9.060 1.00 0.00 H new ATOM 1194 N SER A 81 -2.373 3.229 13.213 1.00 0.00 N ATOM 1195 CA SER A 81 -3.177 2.957 14.403 1.00 0.00 C ATOM 1196 C SER A 81 -4.241 1.897 14.101 1.00 0.00 C ATOM 1197 O SER A 81 -4.130 1.166 13.114 1.00 0.00 O ATOM 1198 CB SER A 81 -3.829 4.255 14.899 1.00 0.00 C ATOM 1199 OG SER A 81 -4.924 4.632 14.075 1.00 0.00 O ATOM 0 H SER A 81 -2.815 3.859 12.543 1.00 0.00 H new ATOM 0 HA SER A 81 -2.528 2.569 15.188 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.172 4.123 15.925 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.088 5.055 14.911 1.00 0.00 H new ATOM 0 HG SER A 81 -5.320 5.461 14.416 1.00 0.00 H new ATOM 1205 N SER A 82 -5.272 1.822 14.946 1.00 0.00 N ATOM 1206 CA SER A 82 -6.356 0.857 14.754 1.00 0.00 C ATOM 1207 C SER A 82 -7.003 1.040 13.381 1.00 0.00 C ATOM 1208 O SER A 82 -7.335 0.062 12.711 1.00 0.00 O ATOM 1209 CB SER A 82 -7.410 1.013 15.851 1.00 0.00 C ATOM 1210 OG SER A 82 -6.918 0.558 17.099 1.00 0.00 O ATOM 0 H SER A 82 -5.379 2.417 15.768 1.00 0.00 H new ATOM 0 HA SER A 82 -5.933 -0.146 14.810 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.703 2.060 15.932 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.305 0.451 15.583 1.00 0.00 H new ATOM 0 HG SER A 82 -7.610 0.670 17.784 1.00 0.00 H new ATOM 1216 N VAL A 83 -7.168 2.301 12.968 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.763 2.616 11.672 1.00 0.00 C ATOM 1218 C VAL A 83 -6.715 2.538 10.567 1.00 0.00 C ATOM 1219 O VAL A 83 -5.548 2.866 10.787 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.406 4.024 11.660 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.204 4.240 10.380 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.288 4.229 12.883 1.00 0.00 C ATOM 0 H VAL A 83 -6.897 3.118 13.515 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.544 1.877 11.494 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.604 4.762 11.693 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.648 5.236 10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.542 4.148 9.519 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.994 3.492 10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.728 5.226 12.851 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.082 3.482 12.889 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.687 4.127 13.786 1.00 0.00 H new ATOM 1232 N VAL A 84 -7.137 2.098 9.385 1.00 0.00 N ATOM 1233 CA VAL A 84 -6.235 1.974 8.244 1.00 0.00 C ATOM 1234 C VAL A 84 -6.908 2.446 6.958 1.00 0.00 C ATOM 1235 O VAL A 84 -7.948 1.913 6.567 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.758 0.516 8.051 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.664 0.448 6.994 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -5.272 -0.079 9.366 1.00 0.00 C ATOM 0 H VAL A 84 -8.100 1.821 9.192 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.372 2.605 8.458 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.607 -0.075 7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.340 -0.586 6.871 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.050 0.822 6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.817 1.059 7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.942 -1.105 9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.440 0.513 9.748 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.085 -0.071 10.092 1.00 0.00 H new ATOM 1248 N THR A 85 -6.304 3.438 6.303 1.00 0.00 N ATOM 1249 CA THR A 85 -6.834 3.977 5.051 1.00 0.00 C ATOM 1250 C THR A 85 -5.795 3.864 3.938 1.00 0.00 C ATOM 1251 O THR A 85 -4.881 4.686 3.844 1.00 0.00 O ATOM 1252 CB THR A 85 -7.269 5.437 5.226 1.00 0.00 C ATOM 1253 OG1 THR A 85 -6.517 6.079 6.241 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.732 5.581 5.579 1.00 0.00 C ATOM 0 H THR A 85 -5.444 3.886 6.621 1.00 0.00 H new ATOM 0 HA THR A 85 -7.709 3.390 4.773 1.00 0.00 H new ATOM 0 HB THR A 85 -7.091 5.905 4.258 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.814 7.009 6.330 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.977 6.637 5.689 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.342 5.148 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.933 5.062 6.516 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.936 2.833 3.104 1.00 0.00 N ATOM 1263 CA LEU A 86 -5.005 2.602 2.002 1.00 0.00 C ATOM 1264 C LEU A 86 -5.639 2.959 0.659 1.00 0.00 C ATOM 1265 O LEU A 86 -6.596 2.313 0.226 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.547 1.137 1.988 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.185 0.865 2.635 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -2.072 1.531 1.841 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -3.170 1.338 4.083 1.00 0.00 C ATOM 0 H LEU A 86 -6.686 2.145 3.172 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.140 3.247 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.299 0.535 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.513 0.795 0.954 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.014 -0.211 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.113 1.326 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.064 1.137 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.240 2.608 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.193 1.135 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.368 2.409 4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.938 0.809 4.647 1.00 0.00 H new ATOM 1281 N GLU A 87 -5.089 3.982 -0.001 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.592 4.417 -1.303 1.00 0.00 C ATOM 1283 C GLU A 87 -5.031 3.524 -2.409 1.00 0.00 C ATOM 1284 O GLU A 87 -3.968 3.801 -2.972 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.222 5.881 -1.563 1.00 0.00 C ATOM 1286 CG GLU A 87 -6.425 6.803 -1.707 1.00 0.00 C ATOM 1287 CD GLU A 87 -6.224 7.870 -2.768 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -5.135 8.482 -2.800 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -7.159 8.096 -3.565 1.00 0.00 O ATOM 0 H GLU A 87 -4.297 4.523 0.346 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.679 4.333 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.598 6.239 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.621 5.938 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.304 6.209 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.626 7.283 -0.749 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.751 2.445 -2.704 1.00 0.00 N ATOM 1297 CA VAL A 88 -5.336 1.490 -3.728 1.00 0.00 C ATOM 1298 C VAL A 88 -5.954 1.824 -5.090 1.00 0.00 C ATOM 1299 O VAL A 88 -7.047 2.386 -5.165 1.00 0.00 O ATOM 1300 CB VAL A 88 -5.721 0.047 -3.326 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -7.233 -0.105 -3.219 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -5.144 -0.960 -4.311 1.00 0.00 C ATOM 0 H VAL A 88 -6.631 2.209 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.252 1.561 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.293 -0.155 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.477 -1.129 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.615 0.582 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.691 0.123 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.427 -1.968 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.534 -0.757 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.057 -0.877 -4.322 1.00 0.00 H new ATOM 1312 N ALA A 89 -5.244 1.467 -6.164 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.718 1.722 -7.524 1.00 0.00 C ATOM 1314 C ALA A 89 -6.280 0.456 -8.167 1.00 0.00 C ATOM 1315 O ALA A 89 -5.763 -0.642 -7.951 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.591 2.283 -8.379 1.00 0.00 C ATOM 0 H ALA A 89 -4.338 1.000 -6.116 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.522 2.455 -7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.958 2.468 -9.389 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.236 3.218 -7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.771 1.566 -8.417 1.00 0.00 H new ATOM 1322 N LYS A 90 -7.334 0.622 -8.968 1.00 0.00 N ATOM 1323 CA LYS A 90 -7.968 -0.500 -9.659 1.00 0.00 C ATOM 1324 C LYS A 90 -7.196 -0.850 -10.931 1.00 0.00 C ATOM 1325 O LYS A 90 -7.608 -0.503 -12.042 1.00 0.00 O ATOM 1326 CB LYS A 90 -9.426 -0.164 -9.996 1.00 0.00 C ATOM 1327 CG LYS A 90 -10.315 -1.387 -10.162 1.00 0.00 C ATOM 1328 CD LYS A 90 -10.744 -1.955 -8.817 1.00 0.00 C ATOM 1329 CE LYS A 90 -11.863 -1.132 -8.192 1.00 0.00 C ATOM 1330 NZ LYS A 90 -13.107 -1.928 -7.988 1.00 0.00 N ATOM 0 H LYS A 90 -7.767 1.527 -9.154 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.954 -1.366 -8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.835 0.467 -9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.451 0.420 -10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.198 -1.120 -10.743 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.781 -2.151 -10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.077 -2.985 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.889 -1.979 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.527 -0.735 -7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.083 -0.277 -8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.839 -1.325 -7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.445 -2.285 -8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.907 -2.730 -7.356 1.00 0.00 H new ATOM 1344 N GLN A 91 -6.068 -1.534 -10.755 1.00 0.00 N ATOM 1345 CA GLN A 91 -5.219 -1.936 -11.873 1.00 0.00 C ATOM 1346 C GLN A 91 -4.960 -3.445 -11.850 1.00 0.00 C ATOM 1347 O GLN A 91 -5.406 -4.145 -10.937 1.00 0.00 O ATOM 1348 CB GLN A 91 -3.888 -1.174 -11.821 1.00 0.00 C ATOM 1349 CG GLN A 91 -3.201 -1.241 -10.464 1.00 0.00 C ATOM 1350 CD GLN A 91 -1.756 -0.782 -10.515 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -1.474 0.401 -10.705 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -0.828 -1.717 -10.340 1.00 0.00 N ATOM 0 H GLN A 91 -5.719 -1.823 -9.841 1.00 0.00 H new ATOM 0 HA GLN A 91 -5.737 -1.693 -12.801 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.217 -1.579 -12.579 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.066 -0.130 -12.078 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.749 -0.623 -9.753 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -3.240 -2.265 -10.092 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.104 -2.687 -10.185 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.160 -1.465 -10.360 1.00 0.00 H new ATOM 1361 N GLY A 92 -4.235 -3.938 -12.857 1.00 0.00 N ATOM 1362 CA GLY A 92 -3.926 -5.354 -12.931 1.00 0.00 C ATOM 1363 C GLY A 92 -2.474 -5.646 -12.611 1.00 0.00 C ATOM 1364 O GLY A 92 -1.887 -5.019 -11.726 1.00 0.00 O ATOM 0 H GLY A 92 -3.858 -3.378 -13.622 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.565 -5.899 -12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.156 -5.721 -13.931 1.00 0.00 H new ATOM 1368 N ALA A 93 -1.898 -6.601 -13.335 1.00 0.00 N ATOM 1369 CA ALA A 93 -0.506 -6.990 -13.136 1.00 0.00 C ATOM 1370 C ALA A 93 0.398 -6.372 -14.202 1.00 0.00 C ATOM 1371 O ALA A 93 0.179 -6.648 -15.402 1.00 0.00 O ATOM 1372 CB ALA A 93 -0.378 -8.508 -13.140 1.00 0.00 C ATOM 1373 OXT ALA A 93 1.315 -5.611 -13.827 1.00 0.00 O ATOM 0 H ALA A 93 -2.377 -7.122 -14.069 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.183 -6.613 -12.166 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.665 -8.786 -12.991 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.983 -8.926 -12.336 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.724 -8.900 -14.096 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 10.578 -6.818 -8.101 1.00 0.00 N ATOM 1381 CA LEU B 99 11.568 -7.768 -7.517 1.00 0.00 C ATOM 1382 C LEU B 99 11.570 -7.712 -5.986 1.00 0.00 C ATOM 1383 O LEU B 99 11.563 -8.751 -5.326 1.00 0.00 O ATOM 1384 CB LEU B 99 12.960 -7.431 -8.063 1.00 0.00 C ATOM 1385 CG LEU B 99 13.153 -7.690 -9.561 1.00 0.00 C ATOM 1386 CD1 LEU B 99 14.249 -6.795 -10.124 1.00 0.00 C ATOM 1387 CD2 LEU B 99 13.477 -9.158 -9.808 1.00 0.00 C ATOM 0 HA LEU B 99 11.289 -8.782 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU B 99 13.167 -6.380 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU B 99 13.699 -8.012 -7.512 1.00 0.00 H new ATOM 0 HG LEU B 99 12.222 -7.451 -10.075 1.00 0.00 H new ATOM 0 HD11 LEU B 99 14.370 -6.994 -11.189 1.00 0.00 H new ATOM 0 HD12 LEU B 99 13.975 -5.750 -9.979 1.00 0.00 H new ATOM 0 HD13 LEU B 99 15.187 -6.999 -9.607 1.00 0.00 H new ATOM 0 HD21 LEU B 99 13.611 -9.326 -10.877 1.00 0.00 H new ATOM 0 HD22 LEU B 99 14.394 -9.422 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU B 99 12.658 -9.778 -9.443 1.00 0.00 H new ATOM 1401 N PHE B 100 11.579 -6.495 -5.429 1.00 0.00 N ATOM 1402 CA PHE B 100 11.580 -6.302 -3.975 1.00 0.00 C ATOM 1403 C PHE B 100 10.328 -6.907 -3.333 1.00 0.00 C ATOM 1404 O PHE B 100 9.413 -7.347 -4.032 1.00 0.00 O ATOM 1405 CB PHE B 100 11.650 -4.810 -3.639 1.00 0.00 C ATOM 1406 CG PHE B 100 12.970 -4.166 -3.962 1.00 0.00 C ATOM 1407 CD1 PHE B 100 14.109 -4.488 -3.241 1.00 0.00 C ATOM 1408 CD2 PHE B 100 13.068 -3.228 -4.979 1.00 0.00 C ATOM 1409 CE1 PHE B 100 15.321 -3.891 -3.530 1.00 0.00 C ATOM 1410 CE2 PHE B 100 14.278 -2.629 -5.273 1.00 0.00 C ATOM 1411 CZ PHE B 100 15.405 -2.959 -4.547 1.00 0.00 C ATOM 0 H PHE B 100 11.586 -5.627 -5.965 1.00 0.00 H new ATOM 0 HA PHE B 100 12.457 -6.811 -3.575 1.00 0.00 H new ATOM 0 HB2 PHE B 100 10.862 -4.289 -4.183 1.00 0.00 H new ATOM 0 HB3 PHE B 100 11.445 -4.678 -2.577 1.00 0.00 H new ATOM 0 HD1 PHE B 100 14.048 -5.214 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE B 100 12.189 -2.963 -5.547 1.00 0.00 H new ATOM 0 HE1 PHE B 100 16.202 -4.152 -2.962 1.00 0.00 H new ATOM 0 HE2 PHE B 100 14.342 -1.903 -6.070 1.00 0.00 H new ATOM 0 HZ PHE B 100 16.351 -2.490 -4.774 1.00 0.00 H new ATOM 1421 N SER B 101 10.290 -6.916 -1.995 1.00 0.00 N ATOM 1422 CA SER B 101 9.145 -7.455 -1.259 1.00 0.00 C ATOM 1423 C SER B 101 9.357 -7.357 0.254 1.00 0.00 C ATOM 1424 O SER B 101 10.054 -8.184 0.845 1.00 0.00 O ATOM 1425 CB SER B 101 8.891 -8.914 -1.658 1.00 0.00 C ATOM 1426 OG SER B 101 7.852 -9.489 -0.882 1.00 0.00 O ATOM 0 H SER B 101 11.039 -6.556 -1.403 1.00 0.00 H new ATOM 0 HA SER B 101 8.273 -6.855 -1.519 1.00 0.00 H new ATOM 0 HB2 SER B 101 8.628 -8.963 -2.715 1.00 0.00 H new ATOM 0 HB3 SER B 101 9.806 -9.493 -1.530 1.00 0.00 H new ATOM 0 HG SER B 101 7.918 -10.466 -0.919 1.00 0.00 H new ATOM 1432 N THR B 102 8.740 -6.352 0.879 1.00 0.00 N ATOM 1433 CA THR B 102 8.855 -6.168 2.327 1.00 0.00 C ATOM 1434 C THR B 102 7.628 -6.758 3.027 1.00 0.00 C ATOM 1435 O THR B 102 6.884 -7.537 2.428 1.00 0.00 O ATOM 1436 CB THR B 102 9.017 -4.678 2.684 1.00 0.00 C ATOM 1437 OG1 THR B 102 7.764 -4.012 2.708 1.00 0.00 O ATOM 1438 CG2 THR B 102 9.917 -3.917 1.733 1.00 0.00 C ATOM 0 H THR B 102 8.159 -5.657 0.409 1.00 0.00 H new ATOM 0 HA THR B 102 9.746 -6.692 2.672 1.00 0.00 H new ATOM 0 HB THR B 102 9.478 -4.683 3.672 1.00 0.00 H new ATOM 0 HG1 THR B 102 7.465 -3.910 3.636 1.00 0.00 H new ATOM 0 HG21 THR B 102 9.982 -2.876 2.049 1.00 0.00 H new ATOM 0 HG22 THR B 102 10.912 -4.361 1.740 1.00 0.00 H new ATOM 0 HG23 THR B 102 9.505 -3.965 0.725 1.00 0.00 H new ATOM 1446 N GLU B 103 7.414 -6.385 4.289 1.00 0.00 N ATOM 1447 CA GLU B 103 6.268 -6.879 5.046 1.00 0.00 C ATOM 1448 C GLU B 103 5.810 -5.854 6.083 1.00 0.00 C ATOM 1449 O GLU B 103 6.512 -5.590 7.063 1.00 0.00 O ATOM 1450 CB GLU B 103 6.599 -8.216 5.723 1.00 0.00 C ATOM 1451 CG GLU B 103 7.975 -8.263 6.373 1.00 0.00 C ATOM 1452 CD GLU B 103 8.433 -9.680 6.666 1.00 0.00 C ATOM 1453 OE1 GLU B 103 7.800 -10.348 7.510 1.00 0.00 O ATOM 1454 OE2 GLU B 103 9.428 -10.119 6.051 1.00 0.00 O ATOM 0 H GLU B 103 8.018 -5.745 4.805 1.00 0.00 H new ATOM 0 HA GLU B 103 5.450 -7.040 4.344 1.00 0.00 H new ATOM 0 HB2 GLU B 103 5.844 -8.423 6.481 1.00 0.00 H new ATOM 0 HB3 GLU B 103 6.532 -9.012 4.981 1.00 0.00 H new ATOM 0 HG2 GLU B 103 8.699 -7.779 5.718 1.00 0.00 H new ATOM 0 HG3 GLU B 103 7.954 -7.692 7.301 1.00 0.00 H new ATOM 1461 N VAL B 104 4.626 -5.281 5.857 1.00 0.00 N ATOM 1462 CA VAL B 104 4.062 -4.282 6.766 1.00 0.00 C ATOM 1463 C VAL B 104 3.028 -4.911 7.710 1.00 0.00 C ATOM 1464 O VAL B 104 2.251 -5.783 7.255 1.00 0.00 O ATOM 1465 CB VAL B 104 3.416 -3.109 5.988 1.00 0.00 C ATOM 1466 CG1 VAL B 104 2.169 -3.570 5.250 1.00 0.00 C ATOM 1467 CG2 VAL B 104 3.094 -1.953 6.927 1.00 0.00 C ATOM 1468 OXT VAL B 104 3.006 -4.526 8.898 1.00 0.00 O ATOM 0 H VAL B 104 4.038 -5.493 5.050 1.00 0.00 H new ATOM 0 HA VAL B 104 4.887 -3.890 7.361 1.00 0.00 H new ATOM 0 HB VAL B 104 4.134 -2.756 5.248 1.00 0.00 H new ATOM 0 HG11 VAL B 104 1.733 -2.729 4.711 1.00 0.00 H new ATOM 0 HG12 VAL B 104 2.434 -4.356 4.543 1.00 0.00 H new ATOM 0 HG13 VAL B 104 1.444 -3.957 5.966 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.641 -1.139 6.360 1.00 0.00 H new ATOM 0 HG22 VAL B 104 2.399 -2.291 7.695 1.00 0.00 H new ATOM 0 HG23 VAL B 104 4.012 -1.600 7.398 1.00 0.00 H new TER 1478 VAL B 104