USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 755 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 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 14 HIS : no HD1:sc= -6.18! C(o=-6.1!,f=-13!) USER MOD Set 2.2: A 16 SER OG : rot -141:sc= 0.0775 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0987 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 10:sc= 0.0694 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.5!) USER MOD Single : A 13 GLN : amide:sc= -0.187 K(o=-0.19,f=-2.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.68) USER MOD Single : A 24 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.509 K(o=-0.51,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.55) USER MOD Single : A 46 TYR OH : rot 50:sc= -2.61 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -2.89! K(o=-2.9!,f=-0.94) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0949 K(o=-0.095,f=-0.91) USER MOD Single : A 80 GLN : amide:sc= -0.01 X(o=-0.01,f=-0.21) USER MOD Single : A 82 THR OG1 : rot 55:sc= -4.12! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.57 K(o=-0.57,f=-1.9) USER MOD Single : A 92 ASN : amide:sc= -3.13 K(o=-3.1,f=-1.9) USER MOD Single : A 94 SER OG : rot 120:sc= -4.15! USER MOD Single : A 97 SER OG : rot -17:sc= 0.422 USER MOD Single : A 98 SER OG : rot 4:sc= 0.86 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.133 -1.101 -10.556 1.00 0.00 N ATOM 2 CA GLY A 1 -32.848 -1.771 -10.653 1.00 0.00 C ATOM 3 C GLY A 1 -32.955 -3.230 -10.204 1.00 0.00 C ATOM 4 O GLY A 1 -33.956 -3.629 -9.611 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.474 -0.864 -11.510 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.818 -1.730 -10.090 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.029 -0.229 -9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.488 -1.729 -11.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.115 -1.250 -10.037 1.00 0.00 H new ATOM 8 N SER A 2 -31.910 -3.986 -10.505 1.00 0.00 N ATOM 9 CA SER A 2 -31.874 -5.392 -10.140 1.00 0.00 C ATOM 10 C SER A 2 -30.758 -5.641 -9.123 1.00 0.00 C ATOM 11 O SER A 2 -29.855 -4.818 -8.973 1.00 0.00 O ATOM 12 CB SER A 2 -31.675 -6.277 -11.372 1.00 0.00 C ATOM 13 OG SER A 2 -30.304 -6.360 -11.754 1.00 0.00 O ATOM 0 H SER A 2 -31.082 -3.652 -10.998 1.00 0.00 H new ATOM 0 HA SER A 2 -32.832 -5.652 -9.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.055 -7.277 -11.165 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.259 -5.880 -12.202 1.00 0.00 H new ATOM 0 HG SER A 2 -30.218 -6.935 -12.543 1.00 0.00 H new ATOM 19 N SER A 3 -30.855 -6.778 -8.451 1.00 0.00 N ATOM 20 CA SER A 3 -29.866 -7.145 -7.452 1.00 0.00 C ATOM 21 C SER A 3 -28.898 -8.180 -8.030 1.00 0.00 C ATOM 22 O SER A 3 -29.127 -8.711 -9.116 1.00 0.00 O ATOM 23 CB SER A 3 -30.534 -7.691 -6.189 1.00 0.00 C ATOM 24 OG SER A 3 -29.746 -7.456 -5.024 1.00 0.00 O ATOM 0 H SER A 3 -31.604 -7.458 -8.579 1.00 0.00 H new ATOM 0 HA SER A 3 -29.309 -6.249 -7.177 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.512 -7.225 -6.066 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.703 -8.762 -6.302 1.00 0.00 H new ATOM 0 HG SER A 3 -30.207 -7.818 -4.239 1.00 0.00 H new ATOM 30 N GLY A 4 -27.837 -8.435 -7.279 1.00 0.00 N ATOM 31 CA GLY A 4 -26.834 -9.397 -7.703 1.00 0.00 C ATOM 32 C GLY A 4 -26.767 -10.582 -6.738 1.00 0.00 C ATOM 33 O GLY A 4 -27.780 -10.974 -6.160 1.00 0.00 O ATOM 0 H GLY A 4 -27.650 -7.992 -6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.068 -9.753 -8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.859 -8.912 -7.757 1.00 0.00 H new ATOM 37 N SER A 5 -25.565 -11.121 -6.594 1.00 0.00 N ATOM 38 CA SER A 5 -25.354 -12.253 -5.709 1.00 0.00 C ATOM 39 C SER A 5 -23.863 -12.406 -5.402 1.00 0.00 C ATOM 40 O SER A 5 -23.019 -11.893 -6.135 1.00 0.00 O ATOM 41 CB SER A 5 -25.905 -13.542 -6.323 1.00 0.00 C ATOM 42 OG SER A 5 -26.462 -14.407 -5.337 1.00 0.00 O ATOM 0 H SER A 5 -24.727 -10.794 -7.076 1.00 0.00 H new ATOM 0 HA SER A 5 -25.892 -12.066 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.668 -13.295 -7.061 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.106 -14.062 -6.852 1.00 0.00 H new ATOM 0 HG SER A 5 -26.804 -15.217 -5.769 1.00 0.00 H new ATOM 48 N SER A 6 -23.585 -13.115 -4.317 1.00 0.00 N ATOM 49 CA SER A 6 -22.210 -13.342 -3.904 1.00 0.00 C ATOM 50 C SER A 6 -22.070 -14.739 -3.297 1.00 0.00 C ATOM 51 O SER A 6 -23.049 -15.314 -2.822 1.00 0.00 O ATOM 52 CB SER A 6 -21.753 -12.279 -2.903 1.00 0.00 C ATOM 53 OG SER A 6 -21.452 -11.040 -3.539 1.00 0.00 O ATOM 0 H SER A 6 -24.288 -13.539 -3.712 1.00 0.00 H new ATOM 0 HA SER A 6 -21.572 -13.270 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.533 -12.124 -2.158 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.871 -12.637 -2.371 1.00 0.00 H new ATOM 0 HG SER A 6 -21.749 -11.071 -4.473 1.00 0.00 H new ATOM 59 N GLY A 7 -20.846 -15.244 -3.331 1.00 0.00 N ATOM 60 CA GLY A 7 -20.566 -16.563 -2.789 1.00 0.00 C ATOM 61 C GLY A 7 -20.450 -16.517 -1.264 1.00 0.00 C ATOM 62 O GLY A 7 -20.817 -15.522 -0.640 1.00 0.00 O ATOM 0 H GLY A 7 -20.037 -14.764 -3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.359 -17.254 -3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.639 -16.946 -3.216 1.00 0.00 H new ATOM 66 N MET A 8 -19.940 -17.605 -0.708 1.00 0.00 N ATOM 67 CA MET A 8 -19.771 -17.701 0.732 1.00 0.00 C ATOM 68 C MET A 8 -19.082 -19.012 1.118 1.00 0.00 C ATOM 69 O MET A 8 -19.729 -20.054 1.209 1.00 0.00 O ATOM 70 CB MET A 8 -21.140 -17.624 1.413 1.00 0.00 C ATOM 71 CG MET A 8 -21.064 -16.809 2.705 1.00 0.00 C ATOM 72 SD MET A 8 -21.953 -17.645 4.007 1.00 0.00 S ATOM 73 CE MET A 8 -23.540 -16.838 3.867 1.00 0.00 C ATOM 0 H MET A 8 -19.638 -18.428 -1.229 1.00 0.00 H new ATOM 0 HA MET A 8 -19.144 -16.872 1.061 1.00 0.00 H new ATOM 0 HB2 MET A 8 -21.863 -17.170 0.735 1.00 0.00 H new ATOM 0 HB3 MET A 8 -21.498 -18.630 1.634 1.00 0.00 H new ATOM 0 HG2 MET A 8 -20.023 -16.669 2.996 1.00 0.00 H new ATOM 0 HG3 MET A 8 -21.486 -15.817 2.544 1.00 0.00 H new ATOM 0 HE1 MET A 8 -24.222 -17.244 4.614 1.00 0.00 H new ATOM 0 HE2 MET A 8 -23.419 -15.767 4.030 1.00 0.00 H new ATOM 0 HE3 MET A 8 -23.949 -17.009 2.871 1.00 0.00 H new ATOM 83 N ASP A 9 -17.779 -18.916 1.334 1.00 0.00 N ATOM 84 CA ASP A 9 -16.995 -20.082 1.708 1.00 0.00 C ATOM 85 C ASP A 9 -15.585 -19.637 2.103 1.00 0.00 C ATOM 86 O ASP A 9 -15.089 -18.625 1.611 1.00 0.00 O ATOM 87 CB ASP A 9 -16.872 -21.061 0.539 1.00 0.00 C ATOM 88 CG ASP A 9 -17.157 -22.523 0.887 1.00 0.00 C ATOM 89 OD1 ASP A 9 -16.194 -23.206 1.298 1.00 0.00 O ATOM 90 OD2 ASP A 9 -18.331 -22.924 0.735 1.00 0.00 O ATOM 0 H ASP A 9 -17.246 -18.050 1.257 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.499 -20.575 2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.558 -20.750 -0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.864 -20.990 0.130 1.00 0.00 H new ATOM 95 N MET A 10 -14.980 -20.416 2.987 1.00 0.00 N ATOM 96 CA MET A 10 -13.637 -20.116 3.454 1.00 0.00 C ATOM 97 C MET A 10 -13.035 -21.310 4.197 1.00 0.00 C ATOM 98 O MET A 10 -13.747 -22.248 4.551 1.00 0.00 O ATOM 99 CB MET A 10 -13.679 -18.903 4.385 1.00 0.00 C ATOM 100 CG MET A 10 -14.449 -19.224 5.668 1.00 0.00 C ATOM 101 SD MET A 10 -13.323 -19.312 7.050 1.00 0.00 S ATOM 102 CE MET A 10 -14.440 -18.916 8.385 1.00 0.00 C ATOM 0 H MET A 10 -15.395 -21.255 3.393 1.00 0.00 H new ATOM 0 HA MET A 10 -13.012 -19.899 2.588 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.663 -18.595 4.633 1.00 0.00 H new ATOM 0 HB3 MET A 10 -14.150 -18.064 3.874 1.00 0.00 H new ATOM 0 HG2 MET A 10 -15.203 -18.458 5.851 1.00 0.00 H new ATOM 0 HG3 MET A 10 -14.977 -20.171 5.558 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.896 -18.927 9.330 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.865 -17.926 8.222 1.00 0.00 H new ATOM 0 HE3 MET A 10 -15.242 -19.654 8.419 1.00 0.00 H new ATOM 112 N GLY A 11 -11.729 -21.236 4.411 1.00 0.00 N ATOM 113 CA GLY A 11 -11.023 -22.299 5.106 1.00 0.00 C ATOM 114 C GLY A 11 -9.627 -21.842 5.533 1.00 0.00 C ATOM 115 O GLY A 11 -9.486 -20.844 6.239 1.00 0.00 O ATOM 0 H GLY A 11 -11.142 -20.456 4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.593 -22.606 5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.941 -23.171 4.457 1.00 0.00 H new ATOM 119 N ASN A 12 -8.631 -22.593 5.088 1.00 0.00 N ATOM 120 CA ASN A 12 -7.251 -22.278 5.416 1.00 0.00 C ATOM 121 C ASN A 12 -6.923 -20.868 4.920 1.00 0.00 C ATOM 122 O ASN A 12 -6.780 -20.645 3.719 1.00 0.00 O ATOM 123 CB ASN A 12 -6.287 -23.253 4.737 1.00 0.00 C ATOM 124 CG ASN A 12 -6.057 -24.490 5.607 1.00 0.00 C ATOM 125 OD1 ASN A 12 -6.078 -24.437 6.825 1.00 0.00 O ATOM 126 ND2 ASN A 12 -5.836 -25.604 4.915 1.00 0.00 N ATOM 0 H ASN A 12 -8.752 -23.419 4.503 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.136 -22.351 6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.689 -23.554 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -5.336 -22.756 4.546 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.671 -26.484 5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.832 -25.579 3.895 1.00 0.00 H new ATOM 133 N GLN A 13 -6.815 -19.951 5.871 1.00 0.00 N ATOM 134 CA GLN A 13 -6.507 -18.569 5.547 1.00 0.00 C ATOM 135 C GLN A 13 -5.013 -18.412 5.257 1.00 0.00 C ATOM 136 O GLN A 13 -4.206 -18.301 6.179 1.00 0.00 O ATOM 137 CB GLN A 13 -6.949 -17.630 6.671 1.00 0.00 C ATOM 138 CG GLN A 13 -7.090 -16.194 6.162 1.00 0.00 C ATOM 139 CD GLN A 13 -8.256 -15.481 6.850 1.00 0.00 C ATOM 140 OE1 GLN A 13 -8.979 -16.049 7.652 1.00 0.00 O ATOM 141 NE2 GLN A 13 -8.398 -14.208 6.493 1.00 0.00 N ATOM 0 H GLN A 13 -6.935 -20.139 6.866 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.062 -18.295 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.900 -17.970 7.080 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.223 -17.662 7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.165 -15.647 6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.248 -16.200 5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.758 -13.794 5.816 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.147 -13.646 6.896 1.00 0.00 H new ATOM 150 N HIS A 14 -4.689 -18.407 3.972 1.00 0.00 N ATOM 151 CA HIS A 14 -3.306 -18.265 3.550 1.00 0.00 C ATOM 152 C HIS A 14 -2.632 -17.158 4.362 1.00 0.00 C ATOM 153 O HIS A 14 -3.258 -16.149 4.683 1.00 0.00 O ATOM 154 CB HIS A 14 -3.220 -18.030 2.041 1.00 0.00 C ATOM 155 CG HIS A 14 -1.926 -18.496 1.419 1.00 0.00 C ATOM 156 ND1 HIS A 14 -0.846 -17.655 1.213 1.00 0.00 N ATOM 157 CD2 HIS A 14 -1.549 -19.724 0.960 1.00 0.00 C ATOM 158 CE1 HIS A 14 0.130 -18.355 0.655 1.00 0.00 C ATOM 159 NE2 HIS A 14 -0.307 -19.637 0.499 1.00 0.00 N ATOM 0 H HIS A 14 -5.360 -18.499 3.210 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.766 -19.191 3.746 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.050 -18.544 1.556 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.344 -16.966 1.842 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.158 -20.616 0.970 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.101 -17.977 0.373 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.232 -20.403 0.095 1.00 0.00 H new ATOM 167 N PRO A 15 -1.330 -17.389 4.680 1.00 0.00 N ATOM 168 CA PRO A 15 -0.564 -16.423 5.449 1.00 0.00 C ATOM 169 C PRO A 15 -0.176 -15.220 4.586 1.00 0.00 C ATOM 170 O PRO A 15 0.234 -14.184 5.108 1.00 0.00 O ATOM 171 CB PRO A 15 0.638 -17.195 5.966 1.00 0.00 C ATOM 172 CG PRO A 15 0.746 -18.434 5.091 1.00 0.00 C ATOM 173 CD PRO A 15 -0.555 -18.572 4.317 1.00 0.00 C ATOM 0 HA PRO A 15 -1.133 -15.998 6.276 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.545 -16.593 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.507 -17.467 7.013 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.590 -18.346 4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.922 -19.319 5.702 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.374 -18.613 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.081 -19.488 4.587 1.00 0.00 H new ATOM 181 N SER A 16 -0.319 -15.397 3.281 1.00 0.00 N ATOM 182 CA SER A 16 0.012 -14.339 2.341 1.00 0.00 C ATOM 183 C SER A 16 -1.212 -13.453 2.100 1.00 0.00 C ATOM 184 O SER A 16 -1.076 -12.252 1.867 1.00 0.00 O ATOM 185 CB SER A 16 0.518 -14.917 1.018 1.00 0.00 C ATOM 186 OG SER A 16 1.695 -15.701 1.193 1.00 0.00 O ATOM 0 H SER A 16 -0.660 -16.257 2.852 1.00 0.00 H new ATOM 0 HA SER A 16 0.811 -13.735 2.772 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.263 -15.531 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.724 -14.104 0.322 1.00 0.00 H new ATOM 0 HG SER A 16 2.307 -15.544 0.444 1.00 0.00 H new ATOM 192 N ILE A 17 -2.378 -14.078 2.165 1.00 0.00 N ATOM 193 CA ILE A 17 -3.624 -13.360 1.956 1.00 0.00 C ATOM 194 C ILE A 17 -3.901 -12.465 3.166 1.00 0.00 C ATOM 195 O ILE A 17 -4.127 -11.265 3.016 1.00 0.00 O ATOM 196 CB ILE A 17 -4.759 -14.337 1.642 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.563 -14.982 0.268 1.00 0.00 C ATOM 198 CG2 ILE A 17 -6.122 -13.653 1.765 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.872 -13.988 -0.853 1.00 0.00 C ATOM 0 H ILE A 17 -2.487 -15.073 2.359 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.546 -12.707 1.087 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.734 -15.138 2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.537 -15.337 0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.211 -15.853 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.911 -14.370 1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.252 -13.282 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.175 -12.819 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.725 -14.471 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.906 -13.654 -0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.205 -13.129 -0.772 1.00 0.00 H new ATOM 211 N SER A 18 -3.874 -13.083 4.338 1.00 0.00 N ATOM 212 CA SER A 18 -4.119 -12.357 5.572 1.00 0.00 C ATOM 213 C SER A 18 -3.224 -11.118 5.637 1.00 0.00 C ATOM 214 O SER A 18 -3.667 -10.049 6.055 1.00 0.00 O ATOM 215 CB SER A 18 -3.880 -13.249 6.792 1.00 0.00 C ATOM 216 OG SER A 18 -4.233 -12.596 8.008 1.00 0.00 O ATOM 0 H SER A 18 -3.686 -14.078 4.459 1.00 0.00 H new ATOM 0 HA SER A 18 -5.163 -12.044 5.583 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.461 -14.165 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.830 -13.540 6.828 1.00 0.00 H new ATOM 0 HG SER A 18 -4.067 -13.199 8.763 1.00 0.00 H new ATOM 222 N ARG A 19 -1.981 -11.302 5.216 1.00 0.00 N ATOM 223 CA ARG A 19 -1.020 -10.212 5.221 1.00 0.00 C ATOM 224 C ARG A 19 -1.505 -9.073 4.322 1.00 0.00 C ATOM 225 O ARG A 19 -1.761 -7.968 4.798 1.00 0.00 O ATOM 226 CB ARG A 19 0.352 -10.686 4.738 1.00 0.00 C ATOM 227 CG ARG A 19 1.448 -10.295 5.731 1.00 0.00 C ATOM 228 CD ARG A 19 1.527 -11.299 6.883 1.00 0.00 C ATOM 229 NE ARG A 19 1.875 -12.640 6.363 1.00 0.00 N ATOM 230 CZ ARG A 19 3.078 -12.966 5.870 1.00 0.00 C ATOM 231 NH1 ARG A 19 4.055 -12.050 5.828 1.00 0.00 N ATOM 232 NH2 ARG A 19 3.304 -14.207 5.420 1.00 0.00 N ATOM 0 H ARG A 19 -1.617 -12.190 4.869 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.928 -9.855 6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.342 -11.768 4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.568 -10.251 3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.409 -10.248 5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.248 -9.299 6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.275 -10.976 7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.572 -11.340 7.407 1.00 0.00 H new ATOM 0 HE ARG A 19 1.154 -13.361 6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.883 -11.105 6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.971 -12.298 5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.560 -14.905 5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.220 -14.455 5.045 1.00 0.00 H new ATOM 246 N LEU A 20 -1.617 -9.381 3.039 1.00 0.00 N ATOM 247 CA LEU A 20 -2.066 -8.397 2.069 1.00 0.00 C ATOM 248 C LEU A 20 -3.377 -7.774 2.552 1.00 0.00 C ATOM 249 O LEU A 20 -3.644 -6.601 2.292 1.00 0.00 O ATOM 250 CB LEU A 20 -2.159 -9.022 0.675 1.00 0.00 C ATOM 251 CG LEU A 20 -0.828 -9.275 -0.036 1.00 0.00 C ATOM 252 CD1 LEU A 20 -1.022 -10.178 -1.256 1.00 0.00 C ATOM 253 CD2 LEU A 20 -0.142 -7.957 -0.401 1.00 0.00 C ATOM 0 H LEU A 20 -1.404 -10.299 2.648 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.340 -7.588 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.690 -9.970 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.766 -8.371 0.046 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.167 -9.801 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.061 -10.342 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.436 -11.135 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.707 -9.701 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.802 -8.165 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.788 -7.382 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.050 -7.383 0.506 1.00 0.00 H new ATOM 265 N GLN A 21 -4.161 -8.586 3.246 1.00 0.00 N ATOM 266 CA GLN A 21 -5.438 -8.128 3.767 1.00 0.00 C ATOM 267 C GLN A 21 -5.221 -7.198 4.963 1.00 0.00 C ATOM 268 O GLN A 21 -6.074 -6.367 5.270 1.00 0.00 O ATOM 269 CB GLN A 21 -6.330 -9.311 4.148 1.00 0.00 C ATOM 270 CG GLN A 21 -7.109 -9.824 2.935 1.00 0.00 C ATOM 271 CD GLN A 21 -8.584 -10.035 3.279 1.00 0.00 C ATOM 272 OE1 GLN A 21 -9.199 -9.260 3.994 1.00 0.00 O ATOM 273 NE2 GLN A 21 -9.117 -11.124 2.733 1.00 0.00 N ATOM 0 H GLN A 21 -3.937 -9.558 3.460 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.948 -7.567 2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.719 -10.115 4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.026 -9.009 4.930 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.022 -9.112 2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.675 -10.762 2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.546 -11.731 2.144 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.096 -11.353 2.903 1.00 0.00 H new ATOM 282 N GLU A 22 -4.074 -7.369 5.604 1.00 0.00 N ATOM 283 CA GLU A 22 -3.734 -6.556 6.759 1.00 0.00 C ATOM 284 C GLU A 22 -2.996 -5.290 6.318 1.00 0.00 C ATOM 285 O GLU A 22 -2.939 -4.310 7.059 1.00 0.00 O ATOM 286 CB GLU A 22 -2.902 -7.353 7.765 1.00 0.00 C ATOM 287 CG GLU A 22 -2.023 -6.425 8.607 1.00 0.00 C ATOM 288 CD GLU A 22 -1.502 -7.145 9.853 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.329 -7.380 10.760 1.00 0.00 O ATOM 290 OE2 GLU A 22 -0.288 -7.443 9.869 1.00 0.00 O ATOM 0 H GLU A 22 -3.368 -8.059 5.345 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.658 -6.260 7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.563 -7.924 8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.276 -8.072 7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.183 -6.072 8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.595 -5.546 8.903 1.00 0.00 H new ATOM 297 N ILE A 23 -2.449 -5.352 5.112 1.00 0.00 N ATOM 298 CA ILE A 23 -1.717 -4.223 4.564 1.00 0.00 C ATOM 299 C ILE A 23 -2.684 -3.319 3.796 1.00 0.00 C ATOM 300 O ILE A 23 -2.531 -2.098 3.797 1.00 0.00 O ATOM 301 CB ILE A 23 -0.533 -4.709 3.725 1.00 0.00 C ATOM 302 CG1 ILE A 23 0.601 -5.215 4.620 1.00 0.00 C ATOM 303 CG2 ILE A 23 -0.059 -3.619 2.762 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.097 -6.585 4.154 1.00 0.00 C ATOM 0 H ILE A 23 -2.498 -6.166 4.500 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.286 -3.623 5.365 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.867 -5.551 3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.425 -4.502 4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.253 -5.281 5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.783 -3.990 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.874 -3.347 2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.252 -2.742 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.902 -6.922 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.276 -7.301 4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.466 -6.510 3.131 1.00 0.00 H new ATOM 316 N GLN A 24 -3.657 -3.952 3.159 1.00 0.00 N ATOM 317 CA GLN A 24 -4.649 -3.220 2.389 1.00 0.00 C ATOM 318 C GLN A 24 -5.482 -2.327 3.311 1.00 0.00 C ATOM 319 O GLN A 24 -5.729 -1.164 2.996 1.00 0.00 O ATOM 320 CB GLN A 24 -5.542 -4.176 1.596 1.00 0.00 C ATOM 321 CG GLN A 24 -4.900 -4.542 0.257 1.00 0.00 C ATOM 322 CD GLN A 24 -5.621 -5.726 -0.392 1.00 0.00 C ATOM 323 OE1 GLN A 24 -6.720 -5.608 -0.909 1.00 0.00 O ATOM 324 NE2 GLN A 24 -4.944 -6.869 -0.335 1.00 0.00 N ATOM 0 H GLN A 24 -3.780 -4.965 3.160 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.129 -2.584 1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.719 -5.081 2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.513 -3.713 1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.931 -3.682 -0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.850 -4.790 0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.028 -6.897 0.113 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.341 -7.717 -0.739 1.00 0.00 H new ATOM 333 N ARG A 25 -5.893 -2.906 4.429 1.00 0.00 N ATOM 334 CA ARG A 25 -6.694 -2.177 5.398 1.00 0.00 C ATOM 335 C ARG A 25 -5.910 -0.982 5.944 1.00 0.00 C ATOM 336 O ARG A 25 -6.500 0.004 6.382 1.00 0.00 O ATOM 337 CB ARG A 25 -7.108 -3.080 6.562 1.00 0.00 C ATOM 338 CG ARG A 25 -5.896 -3.475 7.408 1.00 0.00 C ATOM 339 CD ARG A 25 -6.305 -4.406 8.551 1.00 0.00 C ATOM 340 NE ARG A 25 -5.387 -4.232 9.699 1.00 0.00 N ATOM 341 CZ ARG A 25 -5.306 -3.115 10.434 1.00 0.00 C ATOM 342 NH1 ARG A 25 -6.088 -2.065 10.146 1.00 0.00 N ATOM 343 NH2 ARG A 25 -4.443 -3.047 11.457 1.00 0.00 N ATOM 0 H ARG A 25 -5.687 -3.871 4.686 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.591 -1.826 4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.838 -2.564 7.185 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.594 -3.976 6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.155 -3.969 6.780 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.424 -2.580 7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.329 -4.191 8.858 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.285 -5.442 8.212 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.778 -5.012 9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.745 -2.117 9.367 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.026 -1.214 10.706 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.848 -3.846 11.676 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.381 -2.196 12.017 1.00 0.00 H new ATOM 357 N GLU A 26 -4.592 -1.110 5.899 1.00 0.00 N ATOM 358 CA GLU A 26 -3.721 -0.053 6.384 1.00 0.00 C ATOM 359 C GLU A 26 -3.651 1.087 5.365 1.00 0.00 C ATOM 360 O GLU A 26 -4.145 2.184 5.621 1.00 0.00 O ATOM 361 CB GLU A 26 -2.324 -0.594 6.697 1.00 0.00 C ATOM 362 CG GLU A 26 -2.319 -1.367 8.018 1.00 0.00 C ATOM 363 CD GLU A 26 -1.668 -0.544 9.132 1.00 0.00 C ATOM 364 OE1 GLU A 26 -2.071 0.629 9.280 1.00 0.00 O ATOM 365 OE2 GLU A 26 -0.781 -1.108 9.809 1.00 0.00 O ATOM 0 H GLU A 26 -4.106 -1.929 5.534 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.140 0.339 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.993 -1.246 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.614 0.231 6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.341 -1.621 8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.780 -2.306 7.892 1.00 0.00 H new ATOM 372 N VAL A 27 -3.035 0.787 4.231 1.00 0.00 N ATOM 373 CA VAL A 27 -2.894 1.772 3.172 1.00 0.00 C ATOM 374 C VAL A 27 -4.245 2.450 2.930 1.00 0.00 C ATOM 375 O VAL A 27 -4.302 3.645 2.644 1.00 0.00 O ATOM 376 CB VAL A 27 -2.322 1.113 1.916 1.00 0.00 C ATOM 377 CG1 VAL A 27 -1.029 0.359 2.234 1.00 0.00 C ATOM 378 CG2 VAL A 27 -3.351 0.187 1.265 1.00 0.00 C ATOM 0 H VAL A 27 -2.628 -0.125 4.022 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.187 2.549 3.464 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.084 1.902 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.643 -0.100 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.290 1.055 2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.232 -0.416 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.918 -0.268 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.635 -0.594 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.233 0.763 0.986 1.00 0.00 H new ATOM 388 N LYS A 28 -5.299 1.656 3.052 1.00 0.00 N ATOM 389 CA LYS A 28 -6.645 2.164 2.849 1.00 0.00 C ATOM 390 C LYS A 28 -7.028 3.065 4.025 1.00 0.00 C ATOM 391 O LYS A 28 -7.647 4.110 3.835 1.00 0.00 O ATOM 392 CB LYS A 28 -7.623 1.011 2.614 1.00 0.00 C ATOM 393 CG LYS A 28 -8.886 1.500 1.903 1.00 0.00 C ATOM 394 CD LYS A 28 -8.687 1.524 0.386 1.00 0.00 C ATOM 395 CE LYS A 28 -9.158 0.215 -0.250 1.00 0.00 C ATOM 396 NZ LYS A 28 -9.816 0.478 -1.550 1.00 0.00 N ATOM 0 H LYS A 28 -5.248 0.665 3.289 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.689 2.777 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.141 0.237 2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.891 0.557 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.724 0.849 2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.142 2.499 2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.239 2.360 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.634 1.686 0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.308 -0.453 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.852 -0.293 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.130 -0.421 -1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.638 1.098 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.143 0.942 -2.192 1.00 0.00 H new ATOM 410 N ALA A 29 -6.644 2.626 5.215 1.00 0.00 N ATOM 411 CA ALA A 29 -6.940 3.379 6.422 1.00 0.00 C ATOM 412 C ALA A 29 -6.045 4.620 6.475 1.00 0.00 C ATOM 413 O ALA A 29 -6.317 5.553 7.229 1.00 0.00 O ATOM 414 CB ALA A 29 -6.759 2.477 7.644 1.00 0.00 C ATOM 0 H ALA A 29 -6.130 1.758 5.369 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.976 3.719 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.981 3.042 8.549 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.437 1.626 7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.730 2.119 7.683 1.00 0.00 H new ATOM 420 N ILE A 30 -4.997 4.590 5.665 1.00 0.00 N ATOM 421 CA ILE A 30 -4.061 5.700 5.611 1.00 0.00 C ATOM 422 C ILE A 30 -4.165 6.382 4.245 1.00 0.00 C ATOM 423 O ILE A 30 -3.427 7.324 3.960 1.00 0.00 O ATOM 424 CB ILE A 30 -2.648 5.227 5.957 1.00 0.00 C ATOM 425 CG1 ILE A 30 -1.991 4.539 4.758 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.658 4.331 7.197 1.00 0.00 C ATOM 427 CD1 ILE A 30 -0.875 5.406 4.172 1.00 0.00 C ATOM 0 H ILE A 30 -4.775 3.814 5.041 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.313 6.449 6.362 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.044 6.102 6.197 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.585 3.575 5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.741 4.339 3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.641 4.009 7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.057 4.888 8.045 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.283 3.458 7.010 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.425 4.894 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.289 6.359 3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.115 5.583 4.933 1.00 0.00 H new ATOM 439 N GLU A 31 -5.086 5.879 3.436 1.00 0.00 N ATOM 440 CA GLU A 31 -5.295 6.427 2.107 1.00 0.00 C ATOM 441 C GLU A 31 -5.765 7.880 2.201 1.00 0.00 C ATOM 442 O GLU A 31 -5.256 8.748 1.493 1.00 0.00 O ATOM 443 CB GLU A 31 -6.291 5.579 1.315 1.00 0.00 C ATOM 444 CG GLU A 31 -7.020 6.424 0.267 1.00 0.00 C ATOM 445 CD GLU A 31 -8.086 5.600 -0.458 1.00 0.00 C ATOM 446 OE1 GLU A 31 -9.087 5.257 0.207 1.00 0.00 O ATOM 447 OE2 GLU A 31 -7.875 5.331 -1.660 1.00 0.00 O ATOM 0 H GLU A 31 -5.696 5.097 3.676 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.345 6.406 1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.767 4.759 0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.016 5.133 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.485 7.284 0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.302 6.812 -0.455 1.00 0.00 H new ATOM 454 N PRO A 32 -6.756 8.107 3.104 1.00 0.00 N ATOM 455 CA PRO A 32 -7.300 9.440 3.300 1.00 0.00 C ATOM 456 C PRO A 32 -6.330 10.317 4.093 1.00 0.00 C ATOM 457 O PRO A 32 -6.545 11.521 4.229 1.00 0.00 O ATOM 458 CB PRO A 32 -8.625 9.223 4.014 1.00 0.00 C ATOM 459 CG PRO A 32 -8.556 7.824 4.604 1.00 0.00 C ATOM 460 CD PRO A 32 -7.383 7.104 3.960 1.00 0.00 C ATOM 0 HA PRO A 32 -7.451 9.975 2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.775 9.969 4.794 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.462 9.314 3.321 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.428 7.872 5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.484 7.285 4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.686 6.733 4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.717 6.243 3.381 1.00 0.00 H new ATOM 468 N GLN A 33 -5.282 9.681 4.595 1.00 0.00 N ATOM 469 CA GLN A 33 -4.278 10.389 5.370 1.00 0.00 C ATOM 470 C GLN A 33 -3.368 11.201 4.446 1.00 0.00 C ATOM 471 O GLN A 33 -2.898 12.275 4.819 1.00 0.00 O ATOM 472 CB GLN A 33 -3.462 9.418 6.227 1.00 0.00 C ATOM 473 CG GLN A 33 -3.886 9.494 7.695 1.00 0.00 C ATOM 474 CD GLN A 33 -2.719 9.148 8.622 1.00 0.00 C ATOM 475 OE1 GLN A 33 -2.398 9.867 9.554 1.00 0.00 O ATOM 476 NE2 GLN A 33 -2.103 8.009 8.315 1.00 0.00 N ATOM 0 H GLN A 33 -5.106 8.683 4.480 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.787 11.078 6.044 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.596 8.401 5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.401 9.652 6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.249 10.497 7.921 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.713 8.807 7.874 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.423 7.454 7.521 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.311 7.691 8.874 1.00 0.00 H new ATOM 485 N VAL A 34 -3.148 10.658 3.258 1.00 0.00 N ATOM 486 CA VAL A 34 -2.303 11.319 2.278 1.00 0.00 C ATOM 487 C VAL A 34 -3.174 12.173 1.355 1.00 0.00 C ATOM 488 O VAL A 34 -2.750 13.237 0.905 1.00 0.00 O ATOM 489 CB VAL A 34 -1.469 10.282 1.522 1.00 0.00 C ATOM 490 CG1 VAL A 34 -1.264 9.022 2.366 1.00 0.00 C ATOM 491 CG2 VAL A 34 -2.108 9.942 0.174 1.00 0.00 C ATOM 0 H VAL A 34 -3.540 9.768 2.952 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.597 11.988 2.771 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.489 10.717 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.668 8.302 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.745 9.282 3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.233 8.583 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.496 9.203 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.106 9.536 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.178 10.844 -0.433 1.00 0.00 H new ATOM 501 N VAL A 35 -4.375 11.676 1.099 1.00 0.00 N ATOM 502 CA VAL A 35 -5.309 12.381 0.237 1.00 0.00 C ATOM 503 C VAL A 35 -5.707 13.703 0.898 1.00 0.00 C ATOM 504 O VAL A 35 -5.900 14.708 0.215 1.00 0.00 O ATOM 505 CB VAL A 35 -6.509 11.486 -0.078 1.00 0.00 C ATOM 506 CG1 VAL A 35 -7.468 12.176 -1.050 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.053 10.132 -0.625 1.00 0.00 C ATOM 0 H VAL A 35 -4.723 10.793 1.473 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.841 12.622 -0.717 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.048 11.307 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.312 11.518 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.831 13.103 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.945 12.399 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.925 9.515 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.480 10.283 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.429 9.632 0.116 1.00 0.00 H new ATOM 517 N GLY A 36 -5.818 13.659 2.217 1.00 0.00 N ATOM 518 CA GLY A 36 -6.189 14.840 2.977 1.00 0.00 C ATOM 519 C GLY A 36 -4.974 15.440 3.687 1.00 0.00 C ATOM 520 O GLY A 36 -5.116 16.108 4.710 1.00 0.00 O ATOM 0 H GLY A 36 -5.657 12.823 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.628 15.582 2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.952 14.580 3.711 1.00 0.00 H new ATOM 524 N PHE A 37 -3.807 15.179 3.117 1.00 0.00 N ATOM 525 CA PHE A 37 -2.568 15.684 3.683 1.00 0.00 C ATOM 526 C PHE A 37 -2.277 17.102 3.188 1.00 0.00 C ATOM 527 O PHE A 37 -2.322 17.365 1.987 1.00 0.00 O ATOM 528 CB PHE A 37 -1.449 14.753 3.213 1.00 0.00 C ATOM 529 CG PHE A 37 -0.043 15.241 3.567 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.499 14.935 4.777 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.665 15.981 2.672 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.804 15.389 5.105 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.970 16.434 3.001 1.00 0.00 C ATOM 534 CZ PHE A 37 2.512 16.129 4.210 1.00 0.00 C ATOM 0 H PHE A 37 -3.693 14.624 2.269 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.641 15.715 4.770 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.602 13.767 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.520 14.634 2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.063 14.347 5.488 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.235 16.224 1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.234 15.147 6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.532 17.021 2.290 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.504 16.474 4.460 1.00 0.00 H new ATOM 544 N SER A 38 -1.984 17.978 4.138 1.00 0.00 N ATOM 545 CA SER A 38 -1.686 19.363 3.813 1.00 0.00 C ATOM 546 C SER A 38 -0.328 19.757 4.399 1.00 0.00 C ATOM 547 O SER A 38 -0.243 20.168 5.555 1.00 0.00 O ATOM 548 CB SER A 38 -2.779 20.298 4.332 1.00 0.00 C ATOM 549 OG SER A 38 -3.523 20.891 3.270 1.00 0.00 O ATOM 0 H SER A 38 -1.947 17.756 5.133 1.00 0.00 H new ATOM 0 HA SER A 38 -1.649 19.459 2.728 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.455 19.741 4.981 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.327 21.082 4.940 1.00 0.00 H new ATOM 0 HG SER A 38 -4.212 21.480 3.642 1.00 0.00 H new ATOM 555 N GLY A 39 0.699 19.618 3.574 1.00 0.00 N ATOM 556 CA GLY A 39 2.048 19.954 3.996 1.00 0.00 C ATOM 557 C GLY A 39 2.950 20.220 2.788 1.00 0.00 C ATOM 558 O GLY A 39 2.484 20.697 1.755 1.00 0.00 O ATOM 0 H GLY A 39 0.624 19.277 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.024 20.835 4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.461 19.139 4.590 1.00 0.00 H new ATOM 562 N LEU A 40 4.224 19.900 2.960 1.00 0.00 N ATOM 563 CA LEU A 40 5.195 20.099 1.897 1.00 0.00 C ATOM 564 C LEU A 40 5.933 18.784 1.634 1.00 0.00 C ATOM 565 O LEU A 40 6.371 18.117 2.569 1.00 0.00 O ATOM 566 CB LEU A 40 6.123 21.269 2.231 1.00 0.00 C ATOM 567 CG LEU A 40 5.699 22.636 1.691 1.00 0.00 C ATOM 568 CD1 LEU A 40 6.340 23.767 2.498 1.00 0.00 C ATOM 569 CD2 LEU A 40 6.005 22.754 0.196 1.00 0.00 C ATOM 0 H LEU A 40 4.606 19.505 3.819 1.00 0.00 H new ATOM 0 HA LEU A 40 4.694 20.375 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.210 21.340 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.117 21.040 1.846 1.00 0.00 H new ATOM 0 HG LEU A 40 4.619 22.729 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.022 24.728 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.030 23.692 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.425 23.688 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.694 23.735 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.076 22.631 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.464 21.980 -0.348 1.00 0.00 H new ATOM 581 N SER A 41 6.047 18.453 0.357 1.00 0.00 N ATOM 582 CA SER A 41 6.724 17.230 -0.041 1.00 0.00 C ATOM 583 C SER A 41 8.019 17.065 0.757 1.00 0.00 C ATOM 584 O SER A 41 8.970 17.823 0.569 1.00 0.00 O ATOM 585 CB SER A 41 7.023 17.229 -1.542 1.00 0.00 C ATOM 586 OG SER A 41 6.138 16.375 -2.261 1.00 0.00 O ATOM 0 H SER A 41 5.682 19.010 -0.416 1.00 0.00 H new ATOM 0 HA SER A 41 6.063 16.389 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.941 18.245 -1.929 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.051 16.907 -1.707 1.00 0.00 H new ATOM 0 HG SER A 41 6.360 16.403 -3.215 1.00 0.00 H new ATOM 592 N ASP A 42 8.014 16.071 1.632 1.00 0.00 N ATOM 593 CA ASP A 42 9.177 15.797 2.460 1.00 0.00 C ATOM 594 C ASP A 42 9.326 16.905 3.504 1.00 0.00 C ATOM 595 O ASP A 42 9.920 17.946 3.228 1.00 0.00 O ATOM 596 CB ASP A 42 10.455 15.762 1.621 1.00 0.00 C ATOM 597 CG ASP A 42 10.355 14.958 0.323 1.00 0.00 C ATOM 598 OD1 ASP A 42 9.324 15.118 -0.365 1.00 0.00 O ATOM 599 OD2 ASP A 42 11.312 14.202 0.048 1.00 0.00 O ATOM 0 H ASP A 42 7.224 15.445 1.786 1.00 0.00 H new ATOM 0 HA ASP A 42 9.032 14.827 2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.739 16.785 1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.259 15.345 2.228 1.00 0.00 H new ATOM 604 N ASP A 43 8.777 16.644 4.681 1.00 0.00 N ATOM 605 CA ASP A 43 8.842 17.606 5.768 1.00 0.00 C ATOM 606 C ASP A 43 8.541 16.898 7.090 1.00 0.00 C ATOM 607 O ASP A 43 8.624 15.673 7.175 1.00 0.00 O ATOM 608 CB ASP A 43 7.808 18.718 5.581 1.00 0.00 C ATOM 609 CG ASP A 43 8.362 20.141 5.681 1.00 0.00 C ATOM 610 OD1 ASP A 43 8.885 20.471 6.768 1.00 0.00 O ATOM 611 OD2 ASP A 43 8.250 20.866 4.669 1.00 0.00 O ATOM 0 H ASP A 43 8.285 15.779 4.906 1.00 0.00 H new ATOM 0 HA ASP A 43 9.842 18.040 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.337 18.595 4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.026 18.596 6.330 1.00 0.00 H new ATOM 616 N LYS A 44 8.198 17.698 8.089 1.00 0.00 N ATOM 617 CA LYS A 44 7.885 17.162 9.403 1.00 0.00 C ATOM 618 C LYS A 44 6.410 16.758 9.445 1.00 0.00 C ATOM 619 O LYS A 44 5.606 17.398 10.122 1.00 0.00 O ATOM 620 CB LYS A 44 8.282 18.157 10.495 1.00 0.00 C ATOM 621 CG LYS A 44 9.739 17.958 10.915 1.00 0.00 C ATOM 622 CD LYS A 44 10.223 19.119 11.786 1.00 0.00 C ATOM 623 CE LYS A 44 11.739 19.292 11.676 1.00 0.00 C ATOM 624 NZ LYS A 44 12.200 20.395 12.549 1.00 0.00 N ATOM 0 H LYS A 44 8.130 18.713 8.015 1.00 0.00 H new ATOM 0 HA LYS A 44 8.468 16.262 9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.140 19.175 10.133 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.630 18.032 11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.838 17.021 11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.369 17.877 10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.725 20.039 11.481 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.949 18.938 12.825 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.238 18.365 11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.013 19.500 10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.231 20.499 12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.738 21.281 12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.956 20.181 13.537 1.00 0.00 H new ATOM 638 N ASN A 45 6.099 15.698 8.714 1.00 0.00 N ATOM 639 CA ASN A 45 4.734 15.201 8.660 1.00 0.00 C ATOM 640 C ASN A 45 4.598 14.224 7.490 1.00 0.00 C ATOM 641 O ASN A 45 4.058 13.130 7.650 1.00 0.00 O ATOM 642 CB ASN A 45 3.740 16.343 8.441 1.00 0.00 C ATOM 643 CG ASN A 45 2.844 16.533 9.666 1.00 0.00 C ATOM 644 OD1 ASN A 45 2.942 17.507 10.394 1.00 0.00 O ATOM 645 ND2 ASN A 45 1.968 15.550 9.853 1.00 0.00 N ATOM 0 H ASN A 45 6.768 15.169 8.154 1.00 0.00 H new ATOM 0 HA ASN A 45 4.516 14.711 9.609 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.281 17.266 8.235 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.125 16.132 7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.325 15.583 10.644 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.939 14.763 9.205 1.00 0.00 H new ATOM 652 N TYR A 46 5.097 14.654 6.341 1.00 0.00 N ATOM 653 CA TYR A 46 5.038 13.831 5.145 1.00 0.00 C ATOM 654 C TYR A 46 5.748 12.494 5.363 1.00 0.00 C ATOM 655 O TYR A 46 5.180 11.435 5.099 1.00 0.00 O ATOM 656 CB TYR A 46 5.775 14.615 4.057 1.00 0.00 C ATOM 657 CG TYR A 46 5.589 14.049 2.648 1.00 0.00 C ATOM 658 CD1 TYR A 46 6.027 12.774 2.353 1.00 0.00 C ATOM 659 CD2 TYR A 46 4.982 14.813 1.672 1.00 0.00 C ATOM 660 CE1 TYR A 46 5.851 12.241 1.026 1.00 0.00 C ATOM 661 CE2 TYR A 46 4.807 14.281 0.345 1.00 0.00 C ATOM 662 CZ TYR A 46 5.250 13.021 0.088 1.00 0.00 C ATOM 663 OH TYR A 46 5.084 12.518 -1.165 1.00 0.00 O ATOM 0 H TYR A 46 5.544 15.562 6.213 1.00 0.00 H new ATOM 0 HA TYR A 46 4.003 13.616 4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.429 15.649 4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.839 14.632 4.293 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.502 12.176 3.117 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.638 15.810 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.189 11.245 0.782 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.335 14.869 -0.428 1.00 0.00 H new ATOM 0 HH TYR A 46 4.674 11.630 -1.109 1.00 0.00 H new ATOM 673 N LYS A 47 6.979 12.586 5.844 1.00 0.00 N ATOM 674 CA LYS A 47 7.772 11.396 6.102 1.00 0.00 C ATOM 675 C LYS A 47 6.885 10.324 6.738 1.00 0.00 C ATOM 676 O LYS A 47 6.738 9.231 6.192 1.00 0.00 O ATOM 677 CB LYS A 47 9.007 11.745 6.935 1.00 0.00 C ATOM 678 CG LYS A 47 10.238 11.922 6.043 1.00 0.00 C ATOM 679 CD LYS A 47 10.253 13.310 5.399 1.00 0.00 C ATOM 680 CE LYS A 47 10.939 14.330 6.310 1.00 0.00 C ATOM 681 NZ LYS A 47 12.410 14.223 6.193 1.00 0.00 N ATOM 0 H LYS A 47 7.447 13.466 6.062 1.00 0.00 H new ATOM 0 HA LYS A 47 8.152 10.983 5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.825 12.662 7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.193 10.957 7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.143 11.781 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.242 11.157 5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.772 13.265 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.232 13.630 5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.619 15.337 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.638 14.163 7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.860 14.922 6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.712 13.267 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.694 14.405 5.209 1.00 0.00 H new ATOM 695 N ARG A 48 6.316 10.674 7.882 1.00 0.00 N ATOM 696 CA ARG A 48 5.448 9.755 8.598 1.00 0.00 C ATOM 697 C ARG A 48 4.581 8.968 7.613 1.00 0.00 C ATOM 698 O ARG A 48 4.544 7.739 7.658 1.00 0.00 O ATOM 699 CB ARG A 48 4.542 10.504 9.577 1.00 0.00 C ATOM 700 CG ARG A 48 4.057 9.577 10.694 1.00 0.00 C ATOM 701 CD ARG A 48 2.847 10.174 11.415 1.00 0.00 C ATOM 702 NE ARG A 48 1.895 9.101 11.781 1.00 0.00 N ATOM 703 CZ ARG A 48 0.714 9.315 12.376 1.00 0.00 C ATOM 704 NH1 ARG A 48 0.332 10.563 12.677 1.00 0.00 N ATOM 705 NH2 ARG A 48 -0.085 8.280 12.671 1.00 0.00 N ATOM 0 H ARG A 48 6.439 11.582 8.331 1.00 0.00 H new ATOM 0 HA ARG A 48 6.082 9.068 9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.084 11.346 10.008 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.685 10.915 9.043 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.793 8.605 10.276 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.864 9.409 11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.172 10.704 12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.355 10.905 10.773 1.00 0.00 H new ATOM 0 HE ARG A 48 2.155 8.138 11.567 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.940 11.351 12.453 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.567 10.726 13.130 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.206 7.330 12.442 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.984 8.443 13.124 1.00 0.00 H new ATOM 719 N LEU A 49 3.905 9.708 6.746 1.00 0.00 N ATOM 720 CA LEU A 49 3.042 9.094 5.751 1.00 0.00 C ATOM 721 C LEU A 49 3.873 8.169 4.861 1.00 0.00 C ATOM 722 O LEU A 49 3.666 6.956 4.856 1.00 0.00 O ATOM 723 CB LEU A 49 2.272 10.166 4.976 1.00 0.00 C ATOM 724 CG LEU A 49 1.187 10.910 5.757 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.162 11.537 4.809 1.00 0.00 C ATOM 726 CD2 LEU A 49 0.528 9.992 6.788 1.00 0.00 C ATOM 0 H LEU A 49 3.938 10.727 6.712 1.00 0.00 H new ATOM 0 HA LEU A 49 2.285 8.476 6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.987 10.898 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.809 9.696 4.108 1.00 0.00 H new ATOM 0 HG LEU A 49 1.658 11.725 6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.598 12.060 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.663 12.244 4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.310 10.755 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.239 10.545 7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.072 9.142 6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.281 9.634 7.490 1.00 0.00 H new ATOM 738 N GLU A 50 4.797 8.776 4.130 1.00 0.00 N ATOM 739 CA GLU A 50 5.660 8.021 3.238 1.00 0.00 C ATOM 740 C GLU A 50 6.143 6.741 3.924 1.00 0.00 C ATOM 741 O GLU A 50 6.117 5.666 3.327 1.00 0.00 O ATOM 742 CB GLU A 50 6.843 8.872 2.771 1.00 0.00 C ATOM 743 CG GLU A 50 7.935 7.998 2.150 1.00 0.00 C ATOM 744 CD GLU A 50 8.885 8.836 1.290 1.00 0.00 C ATOM 745 OE1 GLU A 50 8.449 9.236 0.189 1.00 0.00 O ATOM 746 OE2 GLU A 50 10.024 9.056 1.754 1.00 0.00 O ATOM 0 H GLU A 50 4.966 9.782 4.138 1.00 0.00 H new ATOM 0 HA GLU A 50 5.084 7.742 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.502 9.607 2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.252 9.427 3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.498 7.498 2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.479 7.218 1.540 1.00 0.00 H new ATOM 753 N ARG A 51 6.571 6.899 5.167 1.00 0.00 N ATOM 754 CA ARG A 51 7.059 5.769 5.940 1.00 0.00 C ATOM 755 C ARG A 51 5.967 4.705 6.070 1.00 0.00 C ATOM 756 O ARG A 51 6.194 3.537 5.757 1.00 0.00 O ATOM 757 CB ARG A 51 7.503 6.208 7.337 1.00 0.00 C ATOM 758 CG ARG A 51 8.917 5.711 7.644 1.00 0.00 C ATOM 759 CD ARG A 51 9.959 6.779 7.304 1.00 0.00 C ATOM 760 NE ARG A 51 11.230 6.486 8.002 1.00 0.00 N ATOM 761 CZ ARG A 51 12.343 7.221 7.876 1.00 0.00 C ATOM 762 NH1 ARG A 51 12.348 8.299 7.079 1.00 0.00 N ATOM 763 NH2 ARG A 51 13.451 6.880 8.548 1.00 0.00 N ATOM 0 H ARG A 51 6.590 7.792 5.659 1.00 0.00 H new ATOM 0 HA ARG A 51 7.917 5.352 5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.473 7.295 7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.808 5.821 8.082 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.993 5.447 8.699 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.120 4.805 7.073 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.124 6.808 6.227 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.592 7.763 7.597 1.00 0.00 H new ATOM 0 HE ARG A 51 11.261 5.673 8.618 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.504 8.560 6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.195 8.858 6.983 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.447 6.061 9.156 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.298 7.440 8.452 1.00 0.00 H new ATOM 777 N ILE A 52 4.807 5.146 6.532 1.00 0.00 N ATOM 778 CA ILE A 52 3.680 4.246 6.707 1.00 0.00 C ATOM 779 C ILE A 52 3.450 3.465 5.412 1.00 0.00 C ATOM 780 O ILE A 52 3.091 2.289 5.447 1.00 0.00 O ATOM 781 CB ILE A 52 2.448 5.016 7.188 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.716 5.693 8.534 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.218 4.108 7.238 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.906 6.985 8.669 1.00 0.00 C ATOM 0 H ILE A 52 4.623 6.115 6.791 1.00 0.00 H new ATOM 0 HA ILE A 52 3.895 3.515 7.487 1.00 0.00 H new ATOM 0 HB ILE A 52 2.236 5.805 6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.459 5.012 9.345 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.779 5.914 8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.357 4.680 7.583 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.016 3.714 6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.403 3.282 7.925 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.115 7.446 9.634 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.183 7.673 7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.843 6.757 8.598 1.00 0.00 H new ATOM 796 N LEU A 53 3.666 4.151 4.299 1.00 0.00 N ATOM 797 CA LEU A 53 3.486 3.537 2.995 1.00 0.00 C ATOM 798 C LEU A 53 4.686 2.637 2.690 1.00 0.00 C ATOM 799 O LEU A 53 4.517 1.480 2.310 1.00 0.00 O ATOM 800 CB LEU A 53 3.234 4.606 1.929 1.00 0.00 C ATOM 801 CG LEU A 53 1.788 5.085 1.789 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.673 6.181 0.729 1.00 0.00 C ATOM 803 CD2 LEU A 53 0.847 3.912 1.506 1.00 0.00 C ATOM 0 H LEU A 53 3.964 5.126 4.274 1.00 0.00 H new ATOM 0 HA LEU A 53 2.600 2.902 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.862 5.469 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.561 4.215 0.966 1.00 0.00 H new ATOM 0 HG LEU A 53 1.480 5.523 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.635 6.503 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.296 7.029 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.007 5.793 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.175 4.280 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.144 3.423 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.900 3.197 2.327 1.00 0.00 H new ATOM 815 N THR A 54 5.870 3.203 2.870 1.00 0.00 N ATOM 816 CA THR A 54 7.097 2.466 2.619 1.00 0.00 C ATOM 817 C THR A 54 7.139 1.195 3.471 1.00 0.00 C ATOM 818 O THR A 54 7.607 0.153 3.014 1.00 0.00 O ATOM 819 CB THR A 54 8.275 3.408 2.875 1.00 0.00 C ATOM 820 OG1 THR A 54 9.243 3.027 1.901 1.00 0.00 O ATOM 821 CG2 THR A 54 8.965 3.133 4.213 1.00 0.00 C ATOM 0 H THR A 54 6.006 4.163 3.187 1.00 0.00 H new ATOM 0 HA THR A 54 7.151 2.128 1.584 1.00 0.00 H new ATOM 0 HB THR A 54 7.925 4.440 2.852 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.040 3.589 1.995 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.793 3.829 4.345 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.249 3.263 5.025 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.344 2.111 4.224 1.00 0.00 H new ATOM 829 N LYS A 55 6.644 1.323 4.693 1.00 0.00 N ATOM 830 CA LYS A 55 6.619 0.198 5.612 1.00 0.00 C ATOM 831 C LYS A 55 5.651 -0.863 5.086 1.00 0.00 C ATOM 832 O LYS A 55 6.029 -2.020 4.909 1.00 0.00 O ATOM 833 CB LYS A 55 6.300 0.673 7.031 1.00 0.00 C ATOM 834 CG LYS A 55 7.524 0.545 7.940 1.00 0.00 C ATOM 835 CD LYS A 55 8.581 1.593 7.588 1.00 0.00 C ATOM 836 CE LYS A 55 9.832 0.935 7.002 1.00 0.00 C ATOM 837 NZ LYS A 55 11.015 1.801 7.204 1.00 0.00 N ATOM 0 H LYS A 55 6.257 2.189 5.068 1.00 0.00 H new ATOM 0 HA LYS A 55 7.602 -0.269 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.969 1.711 7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.477 0.086 7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.222 0.663 8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.950 -0.453 7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.169 2.303 6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.848 2.160 8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.997 -0.033 7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.688 0.749 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.856 1.340 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.861 2.715 6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.161 1.958 8.222 1.00 0.00 H new ATOM 851 N GLN A 56 4.421 -0.431 4.851 1.00 0.00 N ATOM 852 CA GLN A 56 3.395 -1.330 4.349 1.00 0.00 C ATOM 853 C GLN A 56 3.749 -1.802 2.937 1.00 0.00 C ATOM 854 O GLN A 56 3.273 -2.845 2.490 1.00 0.00 O ATOM 855 CB GLN A 56 2.019 -0.662 4.375 1.00 0.00 C ATOM 856 CG GLN A 56 1.600 -0.327 5.808 1.00 0.00 C ATOM 857 CD GLN A 56 1.400 -1.600 6.632 1.00 0.00 C ATOM 858 OE1 GLN A 56 1.976 -1.781 7.692 1.00 0.00 O ATOM 859 NE2 GLN A 56 0.553 -2.469 6.088 1.00 0.00 N ATOM 0 H GLN A 56 4.111 0.530 4.999 1.00 0.00 H new ATOM 0 HA GLN A 56 3.351 -2.201 5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.041 0.249 3.776 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.281 -1.324 3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.360 0.298 6.276 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.676 0.251 5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.105 -2.255 5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.352 -3.350 6.562 1.00 0.00 H new ATOM 868 N LEU A 57 4.580 -1.013 2.274 1.00 0.00 N ATOM 869 CA LEU A 57 5.003 -1.337 0.922 1.00 0.00 C ATOM 870 C LEU A 57 6.038 -2.462 0.972 1.00 0.00 C ATOM 871 O LEU A 57 5.801 -3.553 0.455 1.00 0.00 O ATOM 872 CB LEU A 57 5.494 -0.081 0.198 1.00 0.00 C ATOM 873 CG LEU A 57 6.251 -0.314 -1.110 1.00 0.00 C ATOM 874 CD1 LEU A 57 5.347 -0.068 -2.319 1.00 0.00 C ATOM 875 CD2 LEU A 57 7.524 0.533 -1.165 1.00 0.00 C ATOM 0 H LEU A 57 4.973 -0.149 2.648 1.00 0.00 H new ATOM 0 HA LEU A 57 4.160 -1.705 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.633 0.553 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.142 0.475 0.876 1.00 0.00 H new ATOM 0 HG LEU A 57 6.557 -1.359 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.911 -0.241 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.497 -0.749 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.989 0.961 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.043 0.348 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.262 1.589 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.175 0.266 -0.332 1.00 0.00 H new ATOM 887 N PHE A 58 7.166 -2.158 1.599 1.00 0.00 N ATOM 888 CA PHE A 58 8.238 -3.131 1.722 1.00 0.00 C ATOM 889 C PHE A 58 7.695 -4.494 2.156 1.00 0.00 C ATOM 890 O PHE A 58 8.334 -5.520 1.931 1.00 0.00 O ATOM 891 CB PHE A 58 9.192 -2.609 2.799 1.00 0.00 C ATOM 892 CG PHE A 58 10.642 -3.066 2.620 1.00 0.00 C ATOM 893 CD1 PHE A 58 10.970 -4.373 2.804 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.601 -2.165 2.277 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.315 -4.797 2.638 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.946 -2.589 2.111 1.00 0.00 C ATOM 897 CZ PHE A 58 13.275 -3.896 2.295 1.00 0.00 C ATOM 0 H PHE A 58 7.360 -1.253 2.027 1.00 0.00 H new ATOM 0 HA PHE A 58 8.737 -3.259 0.762 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.163 -1.519 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.836 -2.937 3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.208 -5.088 3.076 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.340 -1.127 2.131 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.576 -5.835 2.784 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.708 -1.874 1.839 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.298 -4.218 2.169 1.00 0.00 H new ATOM 907 N GLU A 59 6.522 -4.459 2.771 1.00 0.00 N ATOM 908 CA GLU A 59 5.886 -5.679 3.238 1.00 0.00 C ATOM 909 C GLU A 59 5.239 -6.423 2.067 1.00 0.00 C ATOM 910 O GLU A 59 5.174 -7.651 2.068 1.00 0.00 O ATOM 911 CB GLU A 59 4.858 -5.378 4.330 1.00 0.00 C ATOM 912 CG GLU A 59 5.475 -5.532 5.722 1.00 0.00 C ATOM 913 CD GLU A 59 5.381 -6.980 6.206 1.00 0.00 C ATOM 914 OE1 GLU A 59 4.245 -7.501 6.219 1.00 0.00 O ATOM 915 OE2 GLU A 59 6.447 -7.534 6.552 1.00 0.00 O ATOM 0 H GLU A 59 5.996 -3.605 2.957 1.00 0.00 H new ATOM 0 HA GLU A 59 6.652 -6.321 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.478 -4.364 4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.007 -6.052 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.519 -5.220 5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.963 -4.876 6.425 1.00 0.00 H new ATOM 922 N ILE A 60 4.778 -5.647 1.097 1.00 0.00 N ATOM 923 CA ILE A 60 4.139 -6.217 -0.077 1.00 0.00 C ATOM 924 C ILE A 60 5.137 -7.116 -0.810 1.00 0.00 C ATOM 925 O ILE A 60 4.833 -8.268 -1.115 1.00 0.00 O ATOM 926 CB ILE A 60 3.547 -5.112 -0.954 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.819 -4.069 -0.105 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.644 -5.699 -2.041 1.00 0.00 C ATOM 929 CD1 ILE A 60 1.839 -3.256 -0.955 1.00 0.00 C ATOM 0 H ILE A 60 4.834 -4.629 1.100 1.00 0.00 H new ATOM 0 HA ILE A 60 3.298 -6.846 0.215 1.00 0.00 H new ATOM 0 HB ILE A 60 4.367 -4.600 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.281 -4.564 0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.545 -3.401 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.236 -4.892 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.224 -6.372 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.827 -6.251 -1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.335 -2.522 -0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.384 -2.743 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.100 -3.924 -1.397 1.00 0.00 H new ATOM 941 N ASP A 61 6.309 -6.555 -1.070 1.00 0.00 N ATOM 942 CA ASP A 61 7.354 -7.291 -1.761 1.00 0.00 C ATOM 943 C ASP A 61 7.740 -8.519 -0.933 1.00 0.00 C ATOM 944 O ASP A 61 8.217 -9.514 -1.477 1.00 0.00 O ATOM 945 CB ASP A 61 8.606 -6.431 -1.942 1.00 0.00 C ATOM 946 CG ASP A 61 9.596 -6.943 -2.991 1.00 0.00 C ATOM 947 OD1 ASP A 61 9.813 -8.173 -3.014 1.00 0.00 O ATOM 948 OD2 ASP A 61 10.113 -6.091 -3.747 1.00 0.00 O ATOM 0 H ASP A 61 6.558 -5.599 -0.815 1.00 0.00 H new ATOM 0 HA ASP A 61 6.971 -7.581 -2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.299 -5.422 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.120 -6.358 -0.984 1.00 0.00 H new ATOM 953 N SER A 62 7.518 -8.409 0.368 1.00 0.00 N ATOM 954 CA SER A 62 7.837 -9.497 1.276 1.00 0.00 C ATOM 955 C SER A 62 6.854 -10.652 1.073 1.00 0.00 C ATOM 956 O SER A 62 7.254 -11.816 1.052 1.00 0.00 O ATOM 957 CB SER A 62 7.809 -9.027 2.732 1.00 0.00 C ATOM 958 OG SER A 62 9.119 -8.805 3.246 1.00 0.00 O ATOM 0 H SER A 62 7.121 -7.583 0.815 1.00 0.00 H new ATOM 0 HA SER A 62 8.847 -9.843 1.054 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.230 -8.106 2.805 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.301 -9.772 3.344 1.00 0.00 H new ATOM 0 HG SER A 62 9.059 -8.504 4.177 1.00 0.00 H new ATOM 964 N VAL A 63 5.587 -10.291 0.929 1.00 0.00 N ATOM 965 CA VAL A 63 4.545 -11.283 0.728 1.00 0.00 C ATOM 966 C VAL A 63 4.909 -12.165 -0.468 1.00 0.00 C ATOM 967 O VAL A 63 4.960 -11.690 -1.601 1.00 0.00 O ATOM 968 CB VAL A 63 3.189 -10.592 0.571 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.162 -11.536 -0.059 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.688 -10.054 1.912 1.00 0.00 C ATOM 0 H VAL A 63 5.259 -9.325 0.948 1.00 0.00 H new ATOM 0 HA VAL A 63 4.465 -11.934 1.598 1.00 0.00 H new ATOM 0 HB VAL A 63 3.322 -9.744 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.207 -11.020 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.511 -11.849 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.036 -12.413 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.723 -9.568 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.580 -10.878 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.404 -9.332 2.305 1.00 0.00 H new ATOM 980 N ASP A 64 5.153 -13.434 -0.174 1.00 0.00 N ATOM 981 CA ASP A 64 5.511 -14.386 -1.211 1.00 0.00 C ATOM 982 C ASP A 64 4.259 -14.765 -2.005 1.00 0.00 C ATOM 983 O ASP A 64 3.149 -14.725 -1.475 1.00 0.00 O ATOM 984 CB ASP A 64 6.093 -15.666 -0.607 1.00 0.00 C ATOM 985 CG ASP A 64 6.881 -16.541 -1.583 1.00 0.00 C ATOM 986 OD1 ASP A 64 7.792 -15.987 -2.235 1.00 0.00 O ATOM 987 OD2 ASP A 64 6.555 -17.746 -1.655 1.00 0.00 O ATOM 0 H ASP A 64 5.110 -13.824 0.767 1.00 0.00 H new ATOM 0 HA ASP A 64 6.257 -13.919 -1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.746 -15.394 0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.277 -16.257 -0.190 1.00 0.00 H new ATOM 992 N THR A 65 4.479 -15.124 -3.261 1.00 0.00 N ATOM 993 CA THR A 65 3.382 -15.510 -4.132 1.00 0.00 C ATOM 994 C THR A 65 3.486 -16.991 -4.497 1.00 0.00 C ATOM 995 O THR A 65 2.483 -17.630 -4.810 1.00 0.00 O ATOM 996 CB THR A 65 3.395 -14.581 -5.348 1.00 0.00 C ATOM 997 OG1 THR A 65 4.617 -14.894 -6.010 1.00 0.00 O ATOM 998 CG2 THR A 65 3.548 -13.109 -4.959 1.00 0.00 C ATOM 0 H THR A 65 5.401 -15.156 -3.696 1.00 0.00 H new ATOM 0 HA THR A 65 2.421 -15.399 -3.630 1.00 0.00 H new ATOM 0 HB THR A 65 2.473 -14.712 -5.915 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.706 -14.338 -6.812 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.551 -12.493 -5.859 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.716 -12.813 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.486 -12.970 -4.421 1.00 0.00 H new ATOM 1006 N GLU A 66 4.711 -17.496 -4.446 1.00 0.00 N ATOM 1007 CA GLU A 66 4.960 -18.891 -4.768 1.00 0.00 C ATOM 1008 C GLU A 66 4.175 -19.295 -6.017 1.00 0.00 C ATOM 1009 O GLU A 66 3.750 -20.443 -6.143 1.00 0.00 O ATOM 1010 CB GLU A 66 4.612 -19.797 -3.585 1.00 0.00 C ATOM 1011 CG GLU A 66 5.845 -20.564 -3.102 1.00 0.00 C ATOM 1012 CD GLU A 66 5.803 -22.020 -3.570 1.00 0.00 C ATOM 1013 OE1 GLU A 66 5.704 -22.217 -4.800 1.00 0.00 O ATOM 1014 OE2 GLU A 66 5.870 -22.902 -2.687 1.00 0.00 O ATOM 0 H GLU A 66 5.541 -16.964 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 66 6.023 -19.012 -4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.209 -19.197 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.833 -20.501 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.748 -20.083 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.896 -20.529 -2.014 1.00 0.00 H new ATOM 1021 N GLY A 67 4.006 -18.330 -6.909 1.00 0.00 N ATOM 1022 CA GLY A 67 3.280 -18.572 -8.145 1.00 0.00 C ATOM 1023 C GLY A 67 1.801 -18.848 -7.866 1.00 0.00 C ATOM 1024 O GLY A 67 1.279 -19.895 -8.246 1.00 0.00 O ATOM 0 H GLY A 67 4.359 -17.379 -6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.375 -17.707 -8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.720 -19.421 -8.669 1.00 0.00 H new ATOM 1028 N LYS A 68 1.168 -17.890 -7.205 1.00 0.00 N ATOM 1029 CA LYS A 68 -0.241 -18.017 -6.871 1.00 0.00 C ATOM 1030 C LYS A 68 -0.982 -16.757 -7.322 1.00 0.00 C ATOM 1031 O LYS A 68 -1.096 -15.794 -6.565 1.00 0.00 O ATOM 1032 CB LYS A 68 -0.413 -18.332 -5.384 1.00 0.00 C ATOM 1033 CG LYS A 68 0.322 -19.621 -5.008 1.00 0.00 C ATOM 1034 CD LYS A 68 0.069 -19.990 -3.546 1.00 0.00 C ATOM 1035 CE LYS A 68 0.923 -21.188 -3.126 1.00 0.00 C ATOM 1036 NZ LYS A 68 0.098 -22.415 -3.061 1.00 0.00 N ATOM 0 H LYS A 68 1.604 -17.023 -6.892 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.685 -18.858 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.031 -17.504 -4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.473 -18.432 -5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.009 -20.434 -5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.392 -19.496 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.295 -19.136 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.986 -20.224 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.738 -21.328 -3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.377 -20.996 -2.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.693 -23.219 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.665 -22.284 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.315 -22.606 -3.996 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.468 -16.804 -8.554 1.00 0.00 N ATOM 1051 CA GLY A 69 -2.196 -15.678 -9.115 1.00 0.00 C ATOM 1052 C GLY A 69 -3.051 -14.991 -8.048 1.00 0.00 C ATOM 1053 O GLY A 69 -2.914 -13.791 -7.816 1.00 0.00 O ATOM 0 H GLY A 69 -1.372 -17.604 -9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.493 -14.961 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.833 -16.022 -9.930 1.00 0.00 H new ATOM 1057 N ASP A 70 -3.913 -15.782 -7.426 1.00 0.00 N ATOM 1058 CA ASP A 70 -4.790 -15.265 -6.389 1.00 0.00 C ATOM 1059 C ASP A 70 -4.014 -14.274 -5.519 1.00 0.00 C ATOM 1060 O ASP A 70 -4.484 -13.167 -5.263 1.00 0.00 O ATOM 1061 CB ASP A 70 -5.298 -16.391 -5.486 1.00 0.00 C ATOM 1062 CG ASP A 70 -6.350 -17.303 -6.119 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -6.894 -16.898 -7.169 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -6.586 -18.385 -5.539 1.00 0.00 O ATOM 0 H ASP A 70 -4.023 -16.777 -7.620 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.638 -14.781 -6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.448 -17.001 -5.178 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.718 -15.950 -4.582 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.839 -14.708 -5.088 1.00 0.00 N ATOM 1070 CA ILE A 71 -1.993 -13.873 -4.252 1.00 0.00 C ATOM 1071 C ILE A 71 -1.267 -12.851 -5.129 1.00 0.00 C ATOM 1072 O ILE A 71 -1.390 -11.646 -4.916 1.00 0.00 O ATOM 1073 CB ILE A 71 -1.055 -14.736 -3.407 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.842 -15.584 -2.405 1.00 0.00 C ATOM 1075 CG2 ILE A 71 0.010 -13.879 -2.720 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -0.943 -16.632 -1.748 1.00 0.00 C ATOM 0 H ILE A 71 -2.453 -15.627 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.597 -13.311 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.534 -15.425 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.275 -14.940 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.671 -16.078 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.663 -14.518 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.600 -13.358 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.473 -13.150 -2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.527 -17.221 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.531 -17.289 -2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.129 -16.134 -1.221 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.524 -13.370 -6.095 1.00 0.00 N ATOM 1089 CA GLN A 72 0.223 -12.518 -7.005 1.00 0.00 C ATOM 1090 C GLN A 72 -0.608 -11.290 -7.385 1.00 0.00 C ATOM 1091 O GLN A 72 -0.157 -10.157 -7.224 1.00 0.00 O ATOM 1092 CB GLN A 72 0.656 -13.293 -8.251 1.00 0.00 C ATOM 1093 CG GLN A 72 2.164 -13.168 -8.478 1.00 0.00 C ATOM 1094 CD GLN A 72 2.464 -12.317 -9.714 1.00 0.00 C ATOM 1095 OE1 GLN A 72 2.677 -11.118 -9.637 1.00 0.00 O ATOM 1096 NE2 GLN A 72 2.467 -13.002 -10.854 1.00 0.00 N ATOM 0 H GLN A 72 -0.423 -14.370 -6.268 1.00 0.00 H new ATOM 0 HA GLN A 72 1.125 -12.179 -6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.387 -14.344 -8.142 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.121 -12.916 -9.122 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.631 -12.720 -7.601 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.600 -14.159 -8.600 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.281 -14.005 -10.847 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.656 -12.525 -11.735 1.00 0.00 H new ATOM 1105 N GLN A 73 -1.807 -11.557 -7.881 1.00 0.00 N ATOM 1106 CA GLN A 73 -2.704 -10.488 -8.285 1.00 0.00 C ATOM 1107 C GLN A 73 -2.872 -9.478 -7.148 1.00 0.00 C ATOM 1108 O GLN A 73 -2.509 -8.311 -7.291 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.059 -11.047 -8.727 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.230 -10.934 -10.243 1.00 0.00 C ATOM 1111 CD GLN A 73 -3.749 -12.206 -10.945 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -3.983 -13.318 -10.500 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -3.064 -11.981 -12.063 1.00 0.00 N ATOM 0 H GLN A 73 -2.178 -12.498 -8.012 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.264 -9.974 -9.139 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.142 -12.091 -8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.861 -10.505 -8.226 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.279 -10.757 -10.482 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.669 -10.076 -10.613 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.904 -11.025 -12.379 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.699 -12.765 -12.604 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.422 -9.963 -6.045 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.643 -9.118 -4.884 1.00 0.00 C ATOM 1124 C ALA A 74 -2.361 -8.342 -4.573 1.00 0.00 C ATOM 1125 O ALA A 74 -2.382 -7.117 -4.470 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.105 -9.977 -3.706 1.00 0.00 C ATOM 0 H ALA A 74 -3.721 -10.931 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.430 -8.390 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.270 -9.342 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.034 -10.484 -3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.340 -10.718 -3.474 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.275 -9.089 -4.431 1.00 0.00 N ATOM 1133 CA ARG A 75 0.013 -8.487 -4.133 1.00 0.00 C ATOM 1134 C ARG A 75 0.307 -7.350 -5.113 1.00 0.00 C ATOM 1135 O ARG A 75 0.311 -6.181 -4.730 1.00 0.00 O ATOM 1136 CB ARG A 75 1.136 -9.523 -4.213 1.00 0.00 C ATOM 1137 CG ARG A 75 2.285 -9.160 -3.269 1.00 0.00 C ATOM 1138 CD ARG A 75 3.635 -9.557 -3.870 1.00 0.00 C ATOM 1139 NE ARG A 75 4.518 -8.373 -3.957 1.00 0.00 N ATOM 1140 CZ ARG A 75 4.507 -7.501 -4.975 1.00 0.00 C ATOM 1141 NH1 ARG A 75 3.660 -7.676 -5.998 1.00 0.00 N ATOM 1142 NH2 ARG A 75 5.344 -6.455 -4.970 1.00 0.00 N ATOM 0 H ARG A 75 -1.261 -10.105 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.032 -8.093 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.746 -10.508 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.507 -9.585 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.272 -8.088 -3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.147 -9.663 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.104 -10.326 -3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.489 -9.986 -4.861 1.00 0.00 H new ATOM 0 HE ARG A 75 5.176 -8.210 -3.195 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.023 -8.473 -6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.652 -7.012 -6.773 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.990 -6.322 -4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.336 -5.791 -5.745 1.00 0.00 H new ATOM 1156 N LYS A 76 0.546 -7.731 -6.359 1.00 0.00 N ATOM 1157 CA LYS A 76 0.839 -6.758 -7.397 1.00 0.00 C ATOM 1158 C LYS A 76 -0.254 -5.688 -7.411 1.00 0.00 C ATOM 1159 O LYS A 76 -0.009 -4.551 -7.811 1.00 0.00 O ATOM 1160 CB LYS A 76 1.035 -7.455 -8.745 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.301 -7.946 -9.307 1.00 0.00 C ATOM 1162 CD LYS A 76 -0.415 -7.634 -10.801 1.00 0.00 C ATOM 1163 CE LYS A 76 -0.562 -8.918 -11.619 1.00 0.00 C ATOM 1164 NZ LYS A 76 0.765 -9.410 -12.055 1.00 0.00 N ATOM 0 H LYS A 76 0.543 -8.701 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 76 1.780 -6.250 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.499 -6.766 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.716 -8.298 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.394 -9.020 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.122 -7.472 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.274 -6.986 -10.976 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.469 -7.088 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.061 -9.681 -11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.191 -8.732 -12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.647 -10.282 -12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.228 -8.687 -12.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.354 -9.607 -11.221 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.436 -6.089 -6.968 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.568 -5.179 -6.925 1.00 0.00 C ATOM 1180 C ARG A 77 -2.416 -4.199 -5.759 1.00 0.00 C ATOM 1181 O ARG A 77 -2.889 -3.066 -5.831 1.00 0.00 O ATOM 1182 CB ARG A 77 -3.884 -5.943 -6.771 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.468 -6.309 -8.137 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.998 -6.306 -8.098 1.00 0.00 C ATOM 1185 NE ARG A 77 -6.539 -6.138 -9.465 1.00 0.00 N ATOM 1186 CZ ARG A 77 -6.715 -4.952 -10.062 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -6.393 -3.822 -9.417 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -7.212 -4.895 -11.306 1.00 0.00 N ATOM 0 H ARG A 77 -1.635 -7.033 -6.635 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.588 -4.630 -7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.717 -6.849 -6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.599 -5.335 -6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.118 -5.600 -8.888 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.110 -7.294 -8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.361 -7.239 -7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.352 -5.499 -7.456 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.794 -6.978 -9.985 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.014 -3.865 -8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.527 -2.919 -9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.456 -5.755 -11.798 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.346 -3.992 -11.761 1.00 0.00 H new ATOM 1202 N ALA A 78 -1.754 -4.671 -4.713 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.534 -3.851 -3.534 1.00 0.00 C ATOM 1204 C ALA A 78 -0.327 -2.942 -3.769 1.00 0.00 C ATOM 1205 O ALA A 78 -0.306 -1.801 -3.311 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.357 -4.753 -2.311 1.00 0.00 C ATOM 0 H ALA A 78 -1.363 -5.611 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.396 -3.211 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.192 -4.138 -1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.254 -5.357 -2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.499 -5.408 -2.463 1.00 0.00 H new ATOM 1212 N ALA A 79 0.650 -3.482 -4.483 1.00 0.00 N ATOM 1213 CA ALA A 79 1.859 -2.734 -4.784 1.00 0.00 C ATOM 1214 C ALA A 79 1.496 -1.497 -5.609 1.00 0.00 C ATOM 1215 O ALA A 79 2.188 -0.482 -5.550 1.00 0.00 O ATOM 1216 CB ALA A 79 2.856 -3.643 -5.504 1.00 0.00 C ATOM 0 H ALA A 79 0.629 -4.429 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 79 2.336 -2.390 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.763 -3.082 -5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.103 -4.490 -4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.413 -4.006 -6.432 1.00 0.00 H new ATOM 1222 N GLN A 80 0.411 -1.623 -6.359 1.00 0.00 N ATOM 1223 CA GLN A 80 -0.053 -0.529 -7.194 1.00 0.00 C ATOM 1224 C GLN A 80 -0.801 0.504 -6.350 1.00 0.00 C ATOM 1225 O GLN A 80 -0.595 1.706 -6.506 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.931 -1.045 -8.336 1.00 0.00 C ATOM 1227 CG GLN A 80 -0.098 -1.806 -9.369 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.960 -2.243 -10.554 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -1.751 -1.486 -11.093 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -0.764 -3.504 -10.929 1.00 0.00 N ATOM 0 H GLN A 80 -0.160 -2.467 -6.406 1.00 0.00 H new ATOM 0 HA GLN A 80 0.816 -0.044 -7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.706 -1.699 -7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -1.437 -0.208 -8.817 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.717 -1.174 -9.721 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.356 -2.681 -8.903 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.086 -4.084 -10.434 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.292 -3.891 -11.711 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.655 -0.003 -5.473 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.436 0.860 -4.603 1.00 0.00 C ATOM 1241 C GLU A 81 -1.526 1.552 -3.586 1.00 0.00 C ATOM 1242 O GLU A 81 -1.618 2.763 -3.388 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.544 0.073 -3.900 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.897 0.311 -4.574 1.00 0.00 C ATOM 1245 CD GLU A 81 -4.904 -0.245 -6.000 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.055 -1.479 -6.128 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -4.758 0.578 -6.930 1.00 0.00 O ATOM 0 H GLU A 81 -1.823 -1.001 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.912 1.625 -5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.307 -0.991 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.598 0.370 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.686 -0.163 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.114 1.379 -4.595 1.00 0.00 H new ATOM 1254 N THR A 82 -0.667 0.754 -2.969 1.00 0.00 N ATOM 1255 CA THR A 82 0.259 1.275 -1.978 1.00 0.00 C ATOM 1256 C THR A 82 1.154 2.351 -2.597 1.00 0.00 C ATOM 1257 O THR A 82 1.496 3.332 -1.940 1.00 0.00 O ATOM 1258 CB THR A 82 1.041 0.096 -1.396 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.278 -0.299 -0.259 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.390 0.519 -0.811 1.00 0.00 C ATOM 0 H THR A 82 -0.593 -0.249 -3.136 1.00 0.00 H new ATOM 0 HA THR A 82 -0.271 1.767 -1.162 1.00 0.00 H new ATOM 0 HB THR A 82 1.201 -0.652 -2.173 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.645 -0.481 -0.532 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.904 -0.355 -0.412 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.000 0.972 -1.593 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.229 1.242 -0.011 1.00 0.00 H new ATOM 1268 N GLU A 83 1.507 2.129 -3.855 1.00 0.00 N ATOM 1269 CA GLU A 83 2.356 3.067 -4.570 1.00 0.00 C ATOM 1270 C GLU A 83 1.568 4.329 -4.928 1.00 0.00 C ATOM 1271 O GLU A 83 2.060 5.443 -4.754 1.00 0.00 O ATOM 1272 CB GLU A 83 2.954 2.421 -5.821 1.00 0.00 C ATOM 1273 CG GLU A 83 3.999 1.367 -5.448 1.00 0.00 C ATOM 1274 CD GLU A 83 5.369 2.010 -5.222 1.00 0.00 C ATOM 1275 OE1 GLU A 83 6.026 2.317 -6.240 1.00 0.00 O ATOM 1276 OE2 GLU A 83 5.729 2.179 -4.037 1.00 0.00 O ATOM 0 H GLU A 83 1.221 1.314 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 83 3.182 3.350 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.162 1.960 -6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.412 3.187 -6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.686 0.843 -4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.069 0.622 -6.241 1.00 0.00 H new ATOM 1283 N ARG A 84 0.358 4.112 -5.423 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.503 5.218 -5.807 1.00 0.00 C ATOM 1285 C ARG A 84 -0.527 6.279 -4.705 1.00 0.00 C ATOM 1286 O ARG A 84 -0.158 7.429 -4.938 1.00 0.00 O ATOM 1287 CB ARG A 84 -1.931 4.737 -6.074 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.312 4.940 -7.542 1.00 0.00 C ATOM 1289 CD ARG A 84 -3.524 4.084 -7.917 1.00 0.00 C ATOM 1290 NE ARG A 84 -4.668 4.955 -8.270 1.00 0.00 N ATOM 1291 CZ ARG A 84 -4.660 5.831 -9.284 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -3.568 5.958 -10.051 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -5.744 6.579 -9.532 1.00 0.00 N ATOM 0 H ARG A 84 -0.046 3.187 -5.567 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.100 5.650 -6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.018 3.682 -5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.627 5.281 -5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.535 5.992 -7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.467 4.680 -8.180 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.276 3.436 -8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.794 3.435 -7.084 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.515 4.884 -7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.743 5.388 -9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.562 6.625 -10.823 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.575 6.482 -8.949 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.738 7.246 -10.304 1.00 0.00 H new ATOM 1307 N LEU A 85 -0.966 5.855 -3.529 1.00 0.00 N ATOM 1308 CA LEU A 85 -1.043 6.755 -2.390 1.00 0.00 C ATOM 1309 C LEU A 85 0.294 7.481 -2.228 1.00 0.00 C ATOM 1310 O LEU A 85 0.325 8.696 -2.037 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.487 5.997 -1.138 1.00 0.00 C ATOM 1312 CG LEU A 85 -2.983 6.039 -0.823 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.400 7.425 -0.327 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.810 5.590 -2.029 1.00 0.00 C ATOM 0 H LEU A 85 -1.272 4.901 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.802 7.519 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.187 4.954 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.945 6.399 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.182 5.334 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.468 7.428 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.845 7.669 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.184 8.167 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.870 5.629 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.612 6.251 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.538 4.569 -2.297 1.00 0.00 H new ATOM 1326 N LEU A 86 1.366 6.707 -2.311 1.00 0.00 N ATOM 1327 CA LEU A 86 2.702 7.261 -2.176 1.00 0.00 C ATOM 1328 C LEU A 86 2.862 8.436 -3.143 1.00 0.00 C ATOM 1329 O LEU A 86 3.591 9.385 -2.857 1.00 0.00 O ATOM 1330 CB LEU A 86 3.757 6.168 -2.357 1.00 0.00 C ATOM 1331 CG LEU A 86 4.702 5.946 -1.174 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.563 4.699 -1.387 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.552 7.191 -0.911 1.00 0.00 C ATOM 0 H LEU A 86 1.336 5.700 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 86 2.852 7.652 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.246 5.229 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.356 6.411 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 86 4.099 5.773 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.226 4.564 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.919 3.825 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.158 4.818 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.215 7.007 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.147 7.419 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.901 8.035 -0.684 1.00 0.00 H new ATOM 1345 N LYS A 87 2.169 8.334 -4.267 1.00 0.00 N ATOM 1346 CA LYS A 87 2.225 9.376 -5.278 1.00 0.00 C ATOM 1347 C LYS A 87 1.269 10.507 -4.893 1.00 0.00 C ATOM 1348 O LYS A 87 1.664 11.670 -4.845 1.00 0.00 O ATOM 1349 CB LYS A 87 1.958 8.791 -6.666 1.00 0.00 C ATOM 1350 CG LYS A 87 3.175 8.020 -7.180 1.00 0.00 C ATOM 1351 CD LYS A 87 3.960 8.848 -8.199 1.00 0.00 C ATOM 1352 CE LYS A 87 3.817 8.265 -9.606 1.00 0.00 C ATOM 1353 NZ LYS A 87 3.478 9.330 -10.576 1.00 0.00 N ATOM 0 H LYS A 87 1.565 7.546 -4.500 1.00 0.00 H new ATOM 0 HA LYS A 87 3.225 9.806 -5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.094 8.128 -6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.711 9.593 -7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.823 7.757 -6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.851 7.086 -7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.602 9.877 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.013 8.874 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.747 7.779 -9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.041 7.499 -9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.385 8.917 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.579 9.776 -10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.232 10.046 -10.582 1.00 0.00 H new ATOM 1367 N GLU A 88 0.028 10.124 -4.627 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.988 11.091 -4.248 1.00 0.00 C ATOM 1369 C GLU A 88 -0.430 12.068 -3.210 1.00 0.00 C ATOM 1370 O GLU A 88 -0.730 13.260 -3.251 1.00 0.00 O ATOM 1371 CB GLU A 88 -2.243 10.391 -3.722 1.00 0.00 C ATOM 1372 CG GLU A 88 -3.256 10.166 -4.846 1.00 0.00 C ATOM 1373 CD GLU A 88 -4.153 11.391 -5.029 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -3.599 12.511 -4.988 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -5.373 11.181 -5.205 1.00 0.00 O ATOM 0 H GLU A 88 -0.296 9.158 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.272 11.656 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.971 9.434 -3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.696 10.992 -2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.730 9.953 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.868 9.293 -4.619 1.00 0.00 H new ATOM 1382 N LEU A 89 0.371 11.525 -2.305 1.00 0.00 N ATOM 1383 CA LEU A 89 0.974 12.334 -1.259 1.00 0.00 C ATOM 1384 C LEU A 89 1.855 13.410 -1.895 1.00 0.00 C ATOM 1385 O LEU A 89 1.587 14.602 -1.751 1.00 0.00 O ATOM 1386 CB LEU A 89 1.714 11.447 -0.256 1.00 0.00 C ATOM 1387 CG LEU A 89 2.231 12.145 1.004 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.095 12.860 1.739 1.00 0.00 C ATOM 1389 CD2 LEU A 89 2.972 11.162 1.911 1.00 0.00 C ATOM 0 H LEU A 89 0.616 10.535 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 89 0.204 12.851 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.046 10.641 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.560 10.985 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 89 2.949 12.907 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.489 13.348 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.651 13.608 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.335 12.134 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.329 11.684 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.296 10.361 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.821 10.739 1.373 1.00 0.00 H new ATOM 1401 N GLU A 90 2.889 12.951 -2.586 1.00 0.00 N ATOM 1402 CA GLU A 90 3.811 13.860 -3.245 1.00 0.00 C ATOM 1403 C GLU A 90 3.046 15.022 -3.883 1.00 0.00 C ATOM 1404 O GLU A 90 3.579 16.123 -4.013 1.00 0.00 O ATOM 1405 CB GLU A 90 4.657 13.124 -4.285 1.00 0.00 C ATOM 1406 CG GLU A 90 6.125 13.067 -3.857 1.00 0.00 C ATOM 1407 CD GLU A 90 7.053 13.114 -5.073 1.00 0.00 C ATOM 1408 OE1 GLU A 90 7.388 14.244 -5.487 1.00 0.00 O ATOM 1409 OE2 GLU A 90 7.405 12.018 -5.560 1.00 0.00 O ATOM 0 H GLU A 90 3.108 11.962 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 90 4.489 14.266 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.274 12.112 -4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.575 13.627 -5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.347 13.903 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.307 12.153 -3.291 1.00 0.00 H new ATOM 1416 N GLN A 91 1.810 14.736 -4.264 1.00 0.00 N ATOM 1417 CA GLN A 91 0.967 15.743 -4.886 1.00 0.00 C ATOM 1418 C GLN A 91 0.172 16.501 -3.820 1.00 0.00 C ATOM 1419 O GLN A 91 0.272 17.723 -3.718 1.00 0.00 O ATOM 1420 CB GLN A 91 0.034 15.114 -5.922 1.00 0.00 C ATOM 1421 CG GLN A 91 -1.244 15.940 -6.082 1.00 0.00 C ATOM 1422 CD GLN A 91 -0.922 17.367 -6.531 1.00 0.00 C ATOM 1423 OE1 GLN A 91 0.136 17.653 -7.067 1.00 0.00 O ATOM 1424 NE2 GLN A 91 -1.891 18.244 -6.281 1.00 0.00 N ATOM 0 H GLN A 91 1.372 13.821 -4.154 1.00 0.00 H new ATOM 0 HA GLN A 91 1.608 16.454 -5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.546 15.041 -6.881 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.221 14.099 -5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.900 15.465 -6.812 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.785 15.966 -5.136 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.752 17.937 -5.829 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.772 19.223 -6.541 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.600 15.745 -3.054 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.411 16.329 -2.001 1.00 0.00 C ATOM 1435 C ASN A 92 -0.541 17.251 -1.144 1.00 0.00 C ATOM 1436 O ASN A 92 -1.042 18.196 -0.537 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.994 15.247 -1.089 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.256 14.636 -1.700 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -4.289 15.274 -1.824 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -3.116 13.367 -2.074 1.00 0.00 N ATOM 0 H ASN A 92 -0.681 14.732 -3.142 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.225 16.882 -2.471 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.251 14.467 -0.924 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.228 15.675 -0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.901 12.869 -2.493 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.223 12.892 -1.942 1.00 0.00 H new ATOM 1447 N ALA A 93 0.748 16.943 -1.123 1.00 0.00 N ATOM 1448 CA ALA A 93 1.693 17.732 -0.351 1.00 0.00 C ATOM 1449 C ALA A 93 1.541 19.209 -0.722 1.00 0.00 C ATOM 1450 O ALA A 93 0.917 19.975 0.010 1.00 0.00 O ATOM 1451 CB ALA A 93 3.111 17.213 -0.596 1.00 0.00 C ATOM 0 H ALA A 93 1.160 16.158 -1.628 1.00 0.00 H new ATOM 0 HA ALA A 93 1.490 17.637 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.820 17.805 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.174 16.169 -0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.350 17.295 -1.656 1.00 0.00 H new ATOM 1457 N SER A 94 2.122 19.564 -1.858 1.00 0.00 N ATOM 1458 CA SER A 94 2.059 20.935 -2.335 1.00 0.00 C ATOM 1459 C SER A 94 2.613 21.020 -3.759 1.00 0.00 C ATOM 1460 O SER A 94 2.052 21.713 -4.606 1.00 0.00 O ATOM 1461 CB SER A 94 2.830 21.876 -1.408 1.00 0.00 C ATOM 1462 OG SER A 94 4.220 21.913 -1.720 1.00 0.00 O ATOM 0 H SER A 94 2.639 18.926 -2.463 1.00 0.00 H new ATOM 0 HA SER A 94 1.015 21.248 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.415 22.881 -1.484 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.699 21.555 -0.375 1.00 0.00 H new ATOM 0 HG SER A 94 4.478 22.828 -1.957 1.00 0.00 H new ATOM 1468 N GLY A 95 3.707 20.305 -3.977 1.00 0.00 N ATOM 1469 CA GLY A 95 4.343 20.292 -5.284 1.00 0.00 C ATOM 1470 C GLY A 95 4.268 21.669 -5.945 1.00 0.00 C ATOM 1471 O GLY A 95 4.325 22.692 -5.264 1.00 0.00 O ATOM 0 H GLY A 95 4.169 19.731 -3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.385 19.990 -5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.858 19.552 -5.921 1.00 0.00 H new ATOM 1475 N PRO A 96 4.137 21.651 -7.298 1.00 0.00 N ATOM 1476 CA PRO A 96 4.054 22.886 -8.059 1.00 0.00 C ATOM 1477 C PRO A 96 2.678 23.536 -7.900 1.00 0.00 C ATOM 1478 O PRO A 96 1.777 22.951 -7.301 1.00 0.00 O ATOM 1479 CB PRO A 96 4.360 22.487 -9.493 1.00 0.00 C ATOM 1480 CG PRO A 96 4.146 20.984 -9.562 1.00 0.00 C ATOM 1481 CD PRO A 96 4.066 20.459 -8.137 1.00 0.00 C ATOM 0 HA PRO A 96 4.758 23.642 -7.712 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.705 23.007 -10.191 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.384 22.748 -9.761 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.230 20.753 -10.106 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.965 20.506 -10.100 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.139 19.911 -7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.885 19.773 -7.921 1.00 0.00 H new ATOM 1489 N SER A 97 2.559 24.737 -8.448 1.00 0.00 N ATOM 1490 CA SER A 97 1.308 25.472 -8.374 1.00 0.00 C ATOM 1491 C SER A 97 1.245 26.511 -9.496 1.00 0.00 C ATOM 1492 O SER A 97 2.216 27.225 -9.741 1.00 0.00 O ATOM 1493 CB SER A 97 1.147 26.151 -7.013 1.00 0.00 C ATOM 1494 OG SER A 97 1.314 25.234 -5.936 1.00 0.00 O ATOM 0 H SER A 97 3.308 25.219 -8.945 1.00 0.00 H new ATOM 0 HA SER A 97 0.488 24.764 -8.495 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.877 26.955 -6.921 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.159 26.608 -6.950 1.00 0.00 H new ATOM 0 HG SER A 97 1.221 24.317 -6.270 1.00 0.00 H new ATOM 1500 N SER A 98 0.093 26.562 -10.148 1.00 0.00 N ATOM 1501 CA SER A 98 -0.110 27.501 -11.238 1.00 0.00 C ATOM 1502 C SER A 98 -1.368 28.334 -10.985 1.00 0.00 C ATOM 1503 O SER A 98 -2.481 27.812 -11.025 1.00 0.00 O ATOM 1504 CB SER A 98 -0.217 26.773 -12.580 1.00 0.00 C ATOM 1505 OG SER A 98 -1.491 26.158 -12.753 1.00 0.00 O ATOM 0 H SER A 98 -0.710 25.968 -9.942 1.00 0.00 H new ATOM 0 HA SER A 98 0.754 28.164 -11.282 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.042 27.480 -13.391 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.563 26.015 -12.645 1.00 0.00 H new ATOM 0 HG SER A 98 -2.071 26.388 -11.997 1.00 0.00 H new ATOM 1511 N GLY A 99 -1.148 29.615 -10.729 1.00 0.00 N ATOM 1512 CA GLY A 99 -2.250 30.526 -10.469 1.00 0.00 C ATOM 1513 C GLY A 99 -2.200 31.731 -11.410 1.00 0.00 C ATOM 1514 O GLY A 99 -1.230 31.909 -12.145 1.00 0.00 O ATOM 0 H GLY A 99 -0.223 30.044 -10.696 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.197 30.001 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.209 30.866 -9.434 1.00 0.00 H new TER 1518 GLY A 99