USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 926 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 44 CYS SG : rot 170:sc= -0.0942 USER MOD Set 1.2: A 68 ASN : amide:sc= -1.99! C(o=-2.1!,f=-8.6!) USER MOD Set 2.1: A 25 TYR OH : rot 101:sc= 1.57 USER MOD Set 2.2: A 48 HIS : no HE2:sc= 0.723 K(o=2.3,f=-6.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= -0.0219 (180deg=-0.298) USER MOD Single : A 16 THR OG1 : rot 82:sc= 0.39 USER MOD Single : A 18 CYS SG : rot -139:sc= 0.776 USER MOD Single : A 19 GLN : amide:sc=0.000839 K(o=0.00084,f=-1.1) USER MOD Single : A 20 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.7!) USER MOD Single : A 21 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.73) USER MOD Single : A 22 THR OG1 : rot -66:sc= -0.159 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.754 F(o=-1.6!,f=-0.75) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -1.62 K(o=-1.6,f=-4.5!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 137:sc= 1.03 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0558 X(o=-0.056,f=-0.23) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -5.89! C(o=-9.7!,f=-5.9!) USER MOD Single : A 69 ASN : amide:sc= -5.95! C(o=-5.9!,f=-10!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.0704 F(o=-0.87,f=-0.07) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -172:sc= -1.82 (180deg=-1.96) USER MOD Single : A 93 SER OG : rot 82:sc= 1.19 USER MOD Single : A 95 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.8!) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.225) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 163:sc= -2.24! (180deg=-3.22!) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.145 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.991 -15.282 4.268 1.00 0.00 N ATOM 2 CA GLY A 1 -26.820 -14.091 4.255 1.00 0.00 C ATOM 3 C GLY A 1 -26.450 -13.139 3.135 1.00 0.00 C ATOM 4 O GLY A 1 -25.943 -12.045 3.383 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.284 -15.900 5.052 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.099 -15.790 3.367 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.995 -15.010 4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.866 -14.381 4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.726 -13.576 5.211 1.00 0.00 H new ATOM 8 N SER A 2 -26.702 -13.556 1.898 1.00 0.00 N ATOM 9 CA SER A 2 -26.387 -12.735 0.736 1.00 0.00 C ATOM 10 C SER A 2 -24.884 -12.492 0.634 1.00 0.00 C ATOM 11 O SER A 2 -24.442 -11.380 0.343 1.00 0.00 O ATOM 12 CB SER A 2 -27.127 -11.398 0.813 1.00 0.00 C ATOM 13 OG SER A 2 -28.403 -11.486 0.204 1.00 0.00 O ATOM 0 H SER A 2 -27.123 -14.458 1.675 1.00 0.00 H new ATOM 0 HA SER A 2 -26.713 -13.271 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.238 -11.100 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.538 -10.624 0.321 1.00 0.00 H new ATOM 0 HG SER A 2 -28.856 -10.620 0.268 1.00 0.00 H new ATOM 19 N SER A 3 -24.103 -13.540 0.875 1.00 0.00 N ATOM 20 CA SER A 3 -22.650 -13.441 0.815 1.00 0.00 C ATOM 21 C SER A 3 -22.141 -13.762 -0.587 1.00 0.00 C ATOM 22 O SER A 3 -22.223 -14.901 -1.044 1.00 0.00 O ATOM 23 CB SER A 3 -22.010 -14.390 1.831 1.00 0.00 C ATOM 24 OG SER A 3 -20.629 -14.115 1.986 1.00 0.00 O ATOM 0 H SER A 3 -24.453 -14.468 1.114 1.00 0.00 H new ATOM 0 HA SER A 3 -22.370 -12.416 1.059 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.514 -14.292 2.793 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.144 -15.421 1.505 1.00 0.00 H new ATOM 0 HG SER A 3 -20.244 -14.733 2.641 1.00 0.00 H new ATOM 30 N GLY A 4 -21.616 -12.746 -1.266 1.00 0.00 N ATOM 31 CA GLY A 4 -21.102 -12.938 -2.610 1.00 0.00 C ATOM 32 C GLY A 4 -20.199 -14.151 -2.717 1.00 0.00 C ATOM 33 O GLY A 4 -20.439 -15.042 -3.532 1.00 0.00 O ATOM 0 H GLY A 4 -21.538 -11.794 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.936 -13.048 -3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.549 -12.049 -2.915 1.00 0.00 H new ATOM 37 N SER A 5 -19.157 -14.186 -1.892 1.00 0.00 N ATOM 38 CA SER A 5 -18.212 -15.296 -1.902 1.00 0.00 C ATOM 39 C SER A 5 -17.655 -15.548 -0.504 1.00 0.00 C ATOM 40 O SER A 5 -17.648 -14.655 0.343 1.00 0.00 O ATOM 41 CB SER A 5 -17.067 -15.011 -2.875 1.00 0.00 C ATOM 42 OG SER A 5 -16.166 -14.058 -2.338 1.00 0.00 O ATOM 0 H SER A 5 -18.946 -13.459 -1.209 1.00 0.00 H new ATOM 0 HA SER A 5 -18.743 -16.190 -2.230 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.534 -15.936 -3.095 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.470 -14.643 -3.818 1.00 0.00 H new ATOM 0 HG SER A 5 -15.442 -13.895 -2.979 1.00 0.00 H new ATOM 48 N SER A 6 -17.189 -16.771 -0.270 1.00 0.00 N ATOM 49 CA SER A 6 -16.633 -17.142 1.026 1.00 0.00 C ATOM 50 C SER A 6 -15.169 -17.549 0.892 1.00 0.00 C ATOM 51 O SER A 6 -14.671 -17.766 -0.212 1.00 0.00 O ATOM 52 CB SER A 6 -17.439 -18.288 1.640 1.00 0.00 C ATOM 53 OG SER A 6 -18.793 -17.914 1.832 1.00 0.00 O ATOM 0 H SER A 6 -17.186 -17.521 -0.961 1.00 0.00 H new ATOM 0 HA SER A 6 -16.692 -16.273 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.388 -19.161 0.990 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.999 -18.575 2.595 1.00 0.00 H new ATOM 0 HG SER A 6 -19.287 -18.664 2.224 1.00 0.00 H new ATOM 59 N GLY A 7 -14.484 -17.652 2.027 1.00 0.00 N ATOM 60 CA GLY A 7 -13.084 -18.033 2.017 1.00 0.00 C ATOM 61 C GLY A 7 -12.191 -16.976 2.638 1.00 0.00 C ATOM 62 O GLY A 7 -12.653 -16.146 3.421 1.00 0.00 O ATOM 0 H GLY A 7 -14.874 -17.478 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.962 -18.971 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.767 -18.214 0.990 1.00 0.00 H new ATOM 66 N ASP A 8 -10.910 -17.008 2.289 1.00 0.00 N ATOM 67 CA ASP A 8 -9.950 -16.046 2.818 1.00 0.00 C ATOM 68 C ASP A 8 -10.088 -14.698 2.117 1.00 0.00 C ATOM 69 O ASP A 8 -10.401 -14.635 0.927 1.00 0.00 O ATOM 70 CB ASP A 8 -8.524 -16.575 2.656 1.00 0.00 C ATOM 71 CG ASP A 8 -7.963 -16.312 1.272 1.00 0.00 C ATOM 72 OD1 ASP A 8 -8.707 -16.494 0.286 1.00 0.00 O ATOM 73 OD2 ASP A 8 -6.779 -15.925 1.175 1.00 0.00 O ATOM 0 H ASP A 8 -10.512 -17.689 1.642 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.160 -15.907 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.880 -16.108 3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -8.513 -17.647 2.852 1.00 0.00 H new ATOM 78 N ILE A 9 -9.855 -13.623 2.862 1.00 0.00 N ATOM 79 CA ILE A 9 -9.954 -12.277 2.312 1.00 0.00 C ATOM 80 C ILE A 9 -8.620 -11.821 1.730 1.00 0.00 C ATOM 81 O ILE A 9 -7.604 -11.798 2.424 1.00 0.00 O ATOM 82 CB ILE A 9 -10.408 -11.264 3.380 1.00 0.00 C ATOM 83 CG1 ILE A 9 -11.769 -11.668 3.951 1.00 0.00 C ATOM 84 CG2 ILE A 9 -10.471 -9.864 2.789 1.00 0.00 C ATOM 85 CD1 ILE A 9 -12.061 -11.058 5.304 1.00 0.00 C ATOM 0 H ILE A 9 -9.596 -13.658 3.848 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.700 -12.315 1.518 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.680 -11.263 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.550 -11.371 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.811 -12.754 4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.793 -9.160 3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.484 -9.578 2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.181 -9.850 1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.042 -11.387 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.301 -11.375 6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.051 -9.971 5.223 1.00 0.00 H new ATOM 97 N ARG A 10 -8.632 -11.458 0.451 1.00 0.00 N ATOM 98 CA ARG A 10 -7.423 -11.002 -0.224 1.00 0.00 C ATOM 99 C ARG A 10 -7.006 -9.623 0.279 1.00 0.00 C ATOM 100 O ARG A 10 -5.907 -9.431 0.798 1.00 0.00 O ATOM 101 CB ARG A 10 -7.644 -10.960 -1.737 1.00 0.00 C ATOM 102 CG ARG A 10 -7.210 -12.229 -2.452 1.00 0.00 C ATOM 103 CD ARG A 10 -7.311 -12.080 -3.962 1.00 0.00 C ATOM 104 NE ARG A 10 -7.470 -13.369 -4.630 1.00 0.00 N ATOM 105 CZ ARG A 10 -6.511 -14.286 -4.694 1.00 0.00 C ATOM 106 NH1 ARG A 10 -5.331 -14.057 -4.133 1.00 0.00 N ATOM 107 NH2 ARG A 10 -6.731 -15.436 -5.320 1.00 0.00 N ATOM 0 H ARG A 10 -9.465 -11.471 -0.138 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.623 -11.708 0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.701 -10.784 -1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.096 -10.114 -2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.183 -12.470 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.831 -13.063 -2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.157 -11.438 -4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.416 -11.585 -4.338 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.366 -13.576 -5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.158 -13.175 -3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.597 -14.763 -4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.637 -15.616 -5.752 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.994 -16.139 -5.369 1.00 0.00 H new ATOM 121 N PRO A 11 -7.904 -8.639 0.121 1.00 0.00 N ATOM 122 CA PRO A 11 -7.652 -7.261 0.553 1.00 0.00 C ATOM 123 C PRO A 11 -7.624 -7.125 2.071 1.00 0.00 C ATOM 124 O PRO A 11 -7.513 -6.021 2.603 1.00 0.00 O ATOM 125 CB PRO A 11 -8.835 -6.485 -0.032 1.00 0.00 C ATOM 126 CG PRO A 11 -9.920 -7.496 -0.173 1.00 0.00 C ATOM 127 CD PRO A 11 -9.234 -8.797 -0.490 1.00 0.00 C ATOM 0 HA PRO A 11 -6.680 -6.900 0.218 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.137 -5.669 0.625 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.580 -6.041 -0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.502 -7.575 0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.613 -7.217 -0.966 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.771 -9.647 -0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.165 -8.963 -1.565 1.00 0.00 H new ATOM 135 N SER A 12 -7.725 -8.255 2.764 1.00 0.00 N ATOM 136 CA SER A 12 -7.714 -8.261 4.222 1.00 0.00 C ATOM 137 C SER A 12 -6.677 -7.281 4.762 1.00 0.00 C ATOM 138 O SER A 12 -7.011 -6.337 5.479 1.00 0.00 O ATOM 139 CB SER A 12 -7.422 -9.669 4.745 1.00 0.00 C ATOM 140 OG SER A 12 -7.934 -9.843 6.055 1.00 0.00 O ATOM 0 H SER A 12 -7.815 -9.178 2.339 1.00 0.00 H new ATOM 0 HA SER A 12 -8.699 -7.949 4.569 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.865 -10.408 4.077 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.346 -9.844 4.745 1.00 0.00 H new ATOM 0 HG SER A 12 -7.736 -10.751 6.366 1.00 0.00 H new ATOM 146 N LYS A 13 -5.416 -7.511 4.412 1.00 0.00 N ATOM 147 CA LYS A 13 -4.328 -6.649 4.859 1.00 0.00 C ATOM 148 C LYS A 13 -4.621 -5.189 4.530 1.00 0.00 C ATOM 149 O LYS A 13 -4.634 -4.333 5.417 1.00 0.00 O ATOM 150 CB LYS A 13 -3.012 -7.075 4.206 1.00 0.00 C ATOM 151 CG LYS A 13 -1.789 -6.793 5.062 1.00 0.00 C ATOM 152 CD LYS A 13 -0.657 -7.759 4.753 1.00 0.00 C ATOM 153 CE LYS A 13 -0.744 -9.012 5.611 1.00 0.00 C ATOM 154 NZ LYS A 13 -0.443 -8.727 7.041 1.00 0.00 N ATOM 0 H LYS A 13 -5.122 -8.288 3.820 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.239 -6.749 5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.054 -8.142 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.905 -6.558 3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.452 -5.770 4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.056 -6.869 6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.690 -8.035 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.300 -7.266 4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.743 -9.440 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.045 -9.759 5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.163 -9.607 7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.334 -8.038 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.289 -8.336 7.503 1.00 0.00 H new ATOM 168 N LEU A 14 -4.857 -4.910 3.253 1.00 0.00 N ATOM 169 CA LEU A 14 -5.152 -3.552 2.808 1.00 0.00 C ATOM 170 C LEU A 14 -6.185 -2.893 3.717 1.00 0.00 C ATOM 171 O LEU A 14 -5.891 -1.909 4.398 1.00 0.00 O ATOM 172 CB LEU A 14 -5.661 -3.567 1.366 1.00 0.00 C ATOM 173 CG LEU A 14 -6.223 -2.246 0.839 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.123 -1.201 0.736 1.00 0.00 C ATOM 175 CD2 LEU A 14 -6.894 -2.452 -0.511 1.00 0.00 C ATOM 0 H LEU A 14 -4.850 -5.606 2.507 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.230 -2.972 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.842 -3.876 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.437 -4.328 1.284 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.973 -1.886 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.542 -0.268 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.688 -1.032 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.349 -1.553 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.288 -1.501 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.165 -2.836 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.710 -3.167 -0.406 1.00 0.00 H new ATOM 187 N LEU A 15 -7.394 -3.443 3.726 1.00 0.00 N ATOM 188 CA LEU A 15 -8.471 -2.910 4.553 1.00 0.00 C ATOM 189 C LEU A 15 -7.946 -2.480 5.919 1.00 0.00 C ATOM 190 O LEU A 15 -8.130 -1.335 6.336 1.00 0.00 O ATOM 191 CB LEU A 15 -9.574 -3.955 4.725 1.00 0.00 C ATOM 192 CG LEU A 15 -10.653 -3.630 5.758 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.463 -2.419 5.321 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.562 -4.830 5.977 1.00 0.00 C ATOM 0 H LEU A 15 -7.653 -4.258 3.170 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.883 -2.035 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.057 -4.106 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.110 -4.902 5.000 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.164 -3.393 6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.226 -2.203 6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.803 -1.558 5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.941 -2.627 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.324 -4.580 6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.043 -5.099 5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.972 -5.673 6.336 1.00 0.00 H new ATOM 206 N THR A 16 -7.288 -3.404 6.613 1.00 0.00 N ATOM 207 CA THR A 16 -6.735 -3.121 7.931 1.00 0.00 C ATOM 208 C THR A 16 -6.114 -1.729 7.979 1.00 0.00 C ATOM 209 O THR A 16 -6.440 -0.924 8.851 1.00 0.00 O ATOM 210 CB THR A 16 -5.670 -4.160 8.329 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.196 -5.483 8.178 1.00 0.00 O ATOM 212 CG2 THR A 16 -5.219 -3.950 9.766 1.00 0.00 C ATOM 0 H THR A 16 -7.125 -4.355 6.283 1.00 0.00 H new ATOM 0 HA THR A 16 -7.563 -3.172 8.638 1.00 0.00 H new ATOM 0 HB THR A 16 -4.809 -4.034 7.673 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.128 -5.757 7.240 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.467 -4.696 10.024 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.792 -2.953 9.871 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.074 -4.051 10.434 1.00 0.00 H new ATOM 220 N TRP A 17 -5.218 -1.454 7.038 1.00 0.00 N ATOM 221 CA TRP A 17 -4.552 -0.158 6.973 1.00 0.00 C ATOM 222 C TRP A 17 -5.569 0.978 6.970 1.00 0.00 C ATOM 223 O TRP A 17 -5.579 1.817 7.872 1.00 0.00 O ATOM 224 CB TRP A 17 -3.673 -0.076 5.724 1.00 0.00 C ATOM 225 CG TRP A 17 -2.857 1.180 5.654 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.776 1.499 6.424 1.00 0.00 C ATOM 227 CD2 TRP A 17 -3.059 2.285 4.766 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.293 2.735 6.068 1.00 0.00 N ATOM 229 CE2 TRP A 17 -2.063 3.238 5.053 1.00 0.00 C ATOM 230 CE3 TRP A 17 -3.984 2.561 3.755 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -1.968 4.445 4.366 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -3.888 3.759 3.074 1.00 0.00 C ATOM 233 CH2 TRP A 17 -2.886 4.689 3.381 1.00 0.00 C ATOM 0 H TRP A 17 -4.936 -2.110 6.310 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.924 -0.055 7.858 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.005 -0.937 5.701 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.305 -0.140 4.838 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -1.361 0.872 7.199 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.491 3.202 6.491 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.760 1.850 3.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.197 5.163 4.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.598 3.983 2.291 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.837 5.616 2.830 1.00 0.00 H new ATOM 244 N CYS A 18 -6.423 0.999 5.953 1.00 0.00 N ATOM 245 CA CYS A 18 -7.444 2.033 5.833 1.00 0.00 C ATOM 246 C CYS A 18 -8.203 2.202 7.146 1.00 0.00 C ATOM 247 O CYS A 18 -8.318 3.311 7.668 1.00 0.00 O ATOM 248 CB CYS A 18 -8.420 1.688 4.707 1.00 0.00 C ATOM 249 SG CYS A 18 -7.636 1.474 3.092 1.00 0.00 S ATOM 0 H CYS A 18 -6.429 0.312 5.199 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.947 2.974 5.597 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.949 0.771 4.967 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.168 2.477 4.634 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.375 2.024 2.175 1.00 0.00 H new ATOM 255 N GLN A 19 -8.720 1.096 7.671 1.00 0.00 N ATOM 256 CA GLN A 19 -9.470 1.123 8.921 1.00 0.00 C ATOM 257 C GLN A 19 -8.721 1.915 9.988 1.00 0.00 C ATOM 258 O GLN A 19 -9.310 2.736 10.691 1.00 0.00 O ATOM 259 CB GLN A 19 -9.731 -0.301 9.415 1.00 0.00 C ATOM 260 CG GLN A 19 -10.967 -0.940 8.803 1.00 0.00 C ATOM 261 CD GLN A 19 -11.346 -2.242 9.480 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.695 -2.673 10.433 1.00 0.00 O ATOM 263 NE2 GLN A 19 -12.404 -2.878 8.991 1.00 0.00 N ATOM 0 H GLN A 19 -8.633 0.171 7.251 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.424 1.615 8.732 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.863 -0.920 9.189 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.839 -0.286 10.500 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.803 -0.243 8.870 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.790 -1.124 7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.915 -2.485 8.200 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.706 -3.759 9.406 1.00 0.00 H new ATOM 272 N GLN A 20 -7.422 1.662 10.103 1.00 0.00 N ATOM 273 CA GLN A 20 -6.593 2.352 11.085 1.00 0.00 C ATOM 274 C GLN A 20 -6.527 3.846 10.788 1.00 0.00 C ATOM 275 O GLN A 20 -6.759 4.673 11.669 1.00 0.00 O ATOM 276 CB GLN A 20 -5.183 1.759 11.100 1.00 0.00 C ATOM 277 CG GLN A 20 -5.150 0.276 11.433 1.00 0.00 C ATOM 278 CD GLN A 20 -5.061 0.014 12.923 1.00 0.00 C ATOM 279 OE1 GLN A 20 -4.556 0.842 13.682 1.00 0.00 O ATOM 280 NE2 GLN A 20 -5.553 -1.143 13.352 1.00 0.00 N ATOM 0 H GLN A 20 -6.920 0.985 9.529 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.047 2.216 12.067 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.722 1.914 10.124 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.578 2.300 11.828 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.046 -0.201 11.037 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.297 -0.185 10.935 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.963 -1.800 12.688 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.521 -1.374 14.345 1.00 0.00 H new ATOM 289 N GLN A 21 -6.207 4.183 9.543 1.00 0.00 N ATOM 290 CA GLN A 21 -6.109 5.579 9.132 1.00 0.00 C ATOM 291 C GLN A 21 -7.384 6.339 9.477 1.00 0.00 C ATOM 292 O GLN A 21 -7.334 7.462 9.982 1.00 0.00 O ATOM 293 CB GLN A 21 -5.837 5.671 7.629 1.00 0.00 C ATOM 294 CG GLN A 21 -4.582 4.933 7.191 1.00 0.00 C ATOM 295 CD GLN A 21 -3.345 5.389 7.940 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.696 6.363 7.556 1.00 0.00 O ATOM 297 NE2 GLN A 21 -3.012 4.687 9.017 1.00 0.00 N ATOM 0 H GLN A 21 -6.011 3.510 8.802 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.280 6.034 9.673 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.693 5.268 7.088 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.748 6.720 7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.722 3.863 7.345 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.431 5.084 6.122 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.578 3.887 9.299 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.190 4.948 9.562 1.00 0.00 H new ATOM 306 N THR A 22 -8.529 5.722 9.202 1.00 0.00 N ATOM 307 CA THR A 22 -9.818 6.341 9.482 1.00 0.00 C ATOM 308 C THR A 22 -10.336 5.934 10.857 1.00 0.00 C ATOM 309 O THR A 22 -11.542 5.793 11.059 1.00 0.00 O ATOM 310 CB THR A 22 -10.866 5.962 8.419 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.960 4.538 8.309 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.504 6.557 7.067 1.00 0.00 C ATOM 0 H THR A 22 -8.589 4.793 8.785 1.00 0.00 H new ATOM 0 HA THR A 22 -9.662 7.420 9.460 1.00 0.00 H new ATOM 0 HB THR A 22 -11.829 6.366 8.730 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.118 4.181 7.958 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.258 6.276 6.332 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.462 7.643 7.147 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.532 6.179 6.752 1.00 0.00 H new ATOM 320 N GLU A 23 -9.417 5.748 11.800 1.00 0.00 N ATOM 321 CA GLU A 23 -9.783 5.358 13.156 1.00 0.00 C ATOM 322 C GLU A 23 -10.052 6.585 14.022 1.00 0.00 C ATOM 323 O GLU A 23 -9.225 7.492 14.105 1.00 0.00 O ATOM 324 CB GLU A 23 -8.674 4.510 13.783 1.00 0.00 C ATOM 325 CG GLU A 23 -9.126 3.721 15.001 1.00 0.00 C ATOM 326 CD GLU A 23 -8.165 2.606 15.362 1.00 0.00 C ATOM 327 OE1 GLU A 23 -7.098 2.904 15.939 1.00 0.00 O ATOM 328 OE2 GLU A 23 -8.480 1.433 15.069 1.00 0.00 O ATOM 0 H GLU A 23 -8.415 5.861 11.649 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.697 4.766 13.102 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.290 3.817 13.034 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.848 5.161 14.068 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.228 4.397 15.850 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.112 3.298 14.810 1.00 0.00 H new ATOM 335 N GLY A 24 -11.215 6.605 14.665 1.00 0.00 N ATOM 336 CA GLY A 24 -11.573 7.725 15.516 1.00 0.00 C ATOM 337 C GLY A 24 -12.562 8.664 14.853 1.00 0.00 C ATOM 338 O GLY A 24 -13.528 9.102 15.479 1.00 0.00 O ATOM 0 H GLY A 24 -11.916 5.866 14.612 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.001 7.349 16.445 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.672 8.279 15.781 1.00 0.00 H new ATOM 342 N TYR A 25 -12.321 8.975 13.585 1.00 0.00 N ATOM 343 CA TYR A 25 -13.195 9.871 12.838 1.00 0.00 C ATOM 344 C TYR A 25 -14.654 9.663 13.233 1.00 0.00 C ATOM 345 O TYR A 25 -15.043 8.576 13.659 1.00 0.00 O ATOM 346 CB TYR A 25 -13.026 9.647 11.334 1.00 0.00 C ATOM 347 CG TYR A 25 -11.887 10.438 10.729 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.568 10.167 11.071 1.00 0.00 C ATOM 349 CD2 TYR A 25 -12.131 11.455 9.815 1.00 0.00 C ATOM 350 CE1 TYR A 25 -9.526 10.887 10.521 1.00 0.00 C ATOM 351 CE2 TYR A 25 -11.095 12.180 9.259 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.794 11.892 9.615 1.00 0.00 C ATOM 353 OH TYR A 25 -8.758 12.611 9.064 1.00 0.00 O ATOM 0 H TYR A 25 -11.527 8.620 13.052 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.914 10.896 13.080 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.859 8.586 11.150 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.953 9.916 10.828 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.354 9.380 11.779 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.149 11.683 9.534 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.506 10.664 10.799 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.302 12.968 8.550 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.571 12.276 8.162 1.00 0.00 H new ATOM 363 N GLN A 26 -15.456 10.713 13.086 1.00 0.00 N ATOM 364 CA GLN A 26 -16.872 10.646 13.427 1.00 0.00 C ATOM 365 C GLN A 26 -17.710 10.285 12.205 1.00 0.00 C ATOM 366 O GLN A 26 -17.407 10.702 11.087 1.00 0.00 O ATOM 367 CB GLN A 26 -17.342 11.981 14.007 1.00 0.00 C ATOM 368 CG GLN A 26 -17.121 12.105 15.506 1.00 0.00 C ATOM 369 CD GLN A 26 -17.815 11.010 16.291 1.00 0.00 C ATOM 370 OE1 GLN A 26 -17.147 9.872 16.440 1.00 0.00 O flip ATOM 371 NE2 GLN A 26 -18.941 11.184 16.759 1.00 0.00 N flip ATOM 0 H GLN A 26 -15.149 11.620 12.733 1.00 0.00 H new ATOM 0 HA GLN A 26 -17.003 9.866 14.177 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.817 12.792 13.502 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -18.403 12.107 13.793 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -16.052 12.075 15.715 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -17.485 13.075 15.844 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -19.419 12.075 16.621 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -19.396 10.438 17.285 1.00 0.00 H new ATOM 380 N HIS A 27 -18.765 9.508 12.425 1.00 0.00 N ATOM 381 CA HIS A 27 -19.648 9.091 11.341 1.00 0.00 C ATOM 382 C HIS A 27 -18.861 8.383 10.242 1.00 0.00 C ATOM 383 O HIS A 27 -19.240 8.420 9.072 1.00 0.00 O ATOM 384 CB HIS A 27 -20.382 10.300 10.761 1.00 0.00 C ATOM 385 CG HIS A 27 -21.664 10.618 11.468 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.905 10.316 10.948 1.00 0.00 N ATOM 387 CD2 HIS A 27 -21.892 11.214 12.661 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.841 10.715 11.791 1.00 0.00 C ATOM 389 NE2 HIS A 27 -23.252 11.262 12.839 1.00 0.00 N ATOM 0 H HIS A 27 -19.030 9.154 13.344 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.379 8.392 11.748 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.726 11.169 10.807 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.594 10.115 9.708 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -21.143 11.583 13.346 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.906 10.611 11.647 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -23.730 11.656 13.649 1.00 0.00 H new ATOM 398 N VAL A 28 -17.764 7.739 10.628 1.00 0.00 N ATOM 399 CA VAL A 28 -16.924 7.021 9.676 1.00 0.00 C ATOM 400 C VAL A 28 -16.701 5.580 10.117 1.00 0.00 C ATOM 401 O VAL A 28 -15.856 5.305 10.968 1.00 0.00 O ATOM 402 CB VAL A 28 -15.558 7.711 9.501 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.626 6.847 8.666 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.732 9.085 8.871 1.00 0.00 C ATOM 0 H VAL A 28 -17.436 7.700 11.593 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.451 7.028 8.722 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.108 7.842 10.485 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.666 7.351 8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.476 5.888 9.162 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.067 6.682 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.757 9.558 8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.203 8.980 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.361 9.702 9.513 1.00 0.00 H new ATOM 414 N ASN A 29 -17.463 4.662 9.532 1.00 0.00 N ATOM 415 CA ASN A 29 -17.349 3.247 9.865 1.00 0.00 C ATOM 416 C ASN A 29 -16.850 2.444 8.667 1.00 0.00 C ATOM 417 O ASN A 29 -17.623 2.096 7.775 1.00 0.00 O ATOM 418 CB ASN A 29 -18.699 2.700 10.333 1.00 0.00 C ATOM 419 CG ASN A 29 -18.839 1.212 10.081 1.00 0.00 C ATOM 420 OD1 ASN A 29 -18.238 0.393 10.777 1.00 0.00 O ATOM 421 ND2 ASN A 29 -19.636 0.854 9.081 1.00 0.00 N ATOM 0 H ASN A 29 -18.167 4.873 8.824 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.625 3.148 10.674 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.819 2.898 11.398 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.501 3.230 9.818 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.770 -0.134 8.864 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.115 1.567 8.530 1.00 0.00 H new ATOM 428 N VAL A 30 -15.553 2.154 8.654 1.00 0.00 N ATOM 429 CA VAL A 30 -14.951 1.391 7.567 1.00 0.00 C ATOM 430 C VAL A 30 -14.960 -0.102 7.874 1.00 0.00 C ATOM 431 O VAL A 30 -14.215 -0.576 8.732 1.00 0.00 O ATOM 432 CB VAL A 30 -13.502 1.841 7.301 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.869 0.986 6.214 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.463 3.314 6.923 1.00 0.00 C ATOM 0 H VAL A 30 -14.899 2.436 9.384 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.551 1.580 6.677 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.925 1.709 8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.846 1.318 6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.863 -0.057 6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.444 1.084 5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.432 3.615 6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.055 3.474 6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.875 3.910 7.738 1.00 0.00 H new ATOM 444 N THR A 31 -15.808 -0.841 7.165 1.00 0.00 N ATOM 445 CA THR A 31 -15.914 -2.281 7.360 1.00 0.00 C ATOM 446 C THR A 31 -15.569 -3.037 6.082 1.00 0.00 C ATOM 447 O THR A 31 -14.954 -4.102 6.127 1.00 0.00 O ATOM 448 CB THR A 31 -17.331 -2.683 7.814 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.287 -2.326 6.810 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.691 -2.006 9.128 1.00 0.00 C ATOM 0 H THR A 31 -16.431 -0.465 6.450 1.00 0.00 H new ATOM 0 HA THR A 31 -15.200 -2.547 8.140 1.00 0.00 H new ATOM 0 HB THR A 31 -17.348 -3.763 7.963 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.184 -2.586 7.105 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.695 -2.305 9.428 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.979 -2.303 9.898 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.657 -0.924 9.001 1.00 0.00 H new ATOM 458 N ASP A 32 -15.968 -2.479 4.945 1.00 0.00 N ATOM 459 CA ASP A 32 -15.699 -3.100 3.653 1.00 0.00 C ATOM 460 C ASP A 32 -14.919 -2.153 2.747 1.00 0.00 C ATOM 461 O ASP A 32 -14.548 -1.051 3.154 1.00 0.00 O ATOM 462 CB ASP A 32 -17.008 -3.510 2.977 1.00 0.00 C ATOM 463 CG ASP A 32 -17.607 -4.762 3.587 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.020 -5.849 3.408 1.00 0.00 O ATOM 465 OD2 ASP A 32 -18.664 -4.654 4.244 1.00 0.00 O ATOM 0 H ASP A 32 -16.479 -1.598 4.891 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.094 -3.990 3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.725 -2.693 3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.828 -3.677 1.915 1.00 0.00 H new ATOM 470 N LEU A 33 -14.671 -2.589 1.517 1.00 0.00 N ATOM 471 CA LEU A 33 -13.934 -1.780 0.552 1.00 0.00 C ATOM 472 C LEU A 33 -14.778 -1.510 -0.690 1.00 0.00 C ATOM 473 O LEU A 33 -14.251 -1.381 -1.796 1.00 0.00 O ATOM 474 CB LEU A 33 -12.634 -2.482 0.157 1.00 0.00 C ATOM 475 CG LEU A 33 -11.675 -2.812 1.301 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.652 -3.847 0.858 1.00 0.00 C ATOM 477 CD2 LEU A 33 -10.981 -1.552 1.795 1.00 0.00 C ATOM 0 H LEU A 33 -14.969 -3.498 1.164 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.696 -0.825 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.887 -3.409 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.108 -1.853 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.253 -3.231 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.978 -4.069 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.166 -4.759 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.079 -3.455 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.302 -1.806 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.416 -1.104 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.727 -0.842 2.152 1.00 0.00 H new ATOM 489 N THR A 34 -16.091 -1.424 -0.500 1.00 0.00 N ATOM 490 CA THR A 34 -17.007 -1.168 -1.604 1.00 0.00 C ATOM 491 C THR A 34 -17.992 -0.059 -1.255 1.00 0.00 C ATOM 492 O THR A 34 -18.134 0.916 -1.994 1.00 0.00 O ATOM 493 CB THR A 34 -17.794 -2.436 -1.986 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.323 -3.058 -0.809 1.00 0.00 O ATOM 495 CG2 THR A 34 -16.905 -3.422 -2.730 1.00 0.00 C ATOM 0 H THR A 34 -16.544 -1.528 0.408 1.00 0.00 H new ATOM 0 HA THR A 34 -16.399 -0.856 -2.453 1.00 0.00 H new ATOM 0 HB THR A 34 -18.614 -2.143 -2.642 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.823 -3.862 -1.061 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.483 -4.309 -2.989 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.527 -2.956 -3.640 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.067 -3.708 -2.094 1.00 0.00 H new ATOM 503 N THR A 35 -18.672 -0.212 -0.122 1.00 0.00 N ATOM 504 CA THR A 35 -19.645 0.777 0.325 1.00 0.00 C ATOM 505 C THR A 35 -18.977 1.870 1.152 1.00 0.00 C ATOM 506 O THR A 35 -19.348 3.041 1.066 1.00 0.00 O ATOM 507 CB THR A 35 -20.763 0.127 1.162 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.194 -0.636 2.231 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.632 -0.773 0.297 1.00 0.00 C ATOM 0 H THR A 35 -18.566 -1.012 0.502 1.00 0.00 H new ATOM 0 HA THR A 35 -20.082 1.218 -0.571 1.00 0.00 H new ATOM 0 HB THR A 35 -21.386 0.921 1.574 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.911 -1.044 2.759 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.414 -1.221 0.909 1.00 0.00 H new ATOM 0 HG22 THR A 35 -22.087 -0.184 -0.499 1.00 0.00 H new ATOM 0 HG23 THR A 35 -21.018 -1.560 -0.140 1.00 0.00 H new ATOM 517 N SER A 36 -17.989 1.481 1.951 1.00 0.00 N ATOM 518 CA SER A 36 -17.271 2.428 2.796 1.00 0.00 C ATOM 519 C SER A 36 -16.757 3.607 1.975 1.00 0.00 C ATOM 520 O SER A 36 -16.721 4.741 2.452 1.00 0.00 O ATOM 521 CB SER A 36 -16.104 1.734 3.499 1.00 0.00 C ATOM 522 OG SER A 36 -16.524 0.529 4.117 1.00 0.00 O ATOM 0 H SER A 36 -17.667 0.516 2.031 1.00 0.00 H new ATOM 0 HA SER A 36 -17.965 2.806 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.316 1.521 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.678 2.401 4.248 1.00 0.00 H new ATOM 0 HG SER A 36 -15.865 -0.175 3.942 1.00 0.00 H new ATOM 528 N TRP A 37 -16.359 3.329 0.739 1.00 0.00 N ATOM 529 CA TRP A 37 -15.847 4.366 -0.150 1.00 0.00 C ATOM 530 C TRP A 37 -16.884 4.745 -1.200 1.00 0.00 C ATOM 531 O TRP A 37 -16.538 5.139 -2.314 1.00 0.00 O ATOM 532 CB TRP A 37 -14.562 3.893 -0.831 1.00 0.00 C ATOM 533 CG TRP A 37 -13.645 3.142 0.086 1.00 0.00 C ATOM 534 CD1 TRP A 37 -13.862 1.909 0.632 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.367 3.575 0.564 1.00 0.00 C ATOM 536 NE1 TRP A 37 -12.796 1.550 1.422 1.00 0.00 N ATOM 537 CE2 TRP A 37 -11.865 2.555 1.396 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.597 4.725 0.370 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.631 2.653 2.032 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.372 4.821 1.001 1.00 0.00 C ATOM 541 CH2 TRP A 37 -9.898 3.790 1.823 1.00 0.00 C ATOM 0 H TRP A 37 -16.381 2.395 0.330 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.628 5.249 0.451 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.821 3.255 -1.676 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -14.034 4.757 -1.234 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.742 1.305 0.467 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.712 0.677 1.943 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.954 5.525 -0.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.265 1.860 2.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.769 5.706 0.858 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.935 3.894 2.301 1.00 0.00 H new ATOM 552 N ARG A 38 -18.158 4.624 -0.839 1.00 0.00 N ATOM 553 CA ARG A 38 -19.246 4.953 -1.752 1.00 0.00 C ATOM 554 C ARG A 38 -19.555 6.446 -1.713 1.00 0.00 C ATOM 555 O ARG A 38 -19.871 7.052 -2.737 1.00 0.00 O ATOM 556 CB ARG A 38 -20.499 4.152 -1.395 1.00 0.00 C ATOM 557 CG ARG A 38 -21.304 4.756 -0.256 1.00 0.00 C ATOM 558 CD ARG A 38 -22.533 3.919 0.062 1.00 0.00 C ATOM 559 NE ARG A 38 -23.057 4.201 1.396 1.00 0.00 N ATOM 560 CZ ARG A 38 -24.117 3.590 1.913 1.00 0.00 C ATOM 561 NH1 ARG A 38 -24.762 2.667 1.213 1.00 0.00 N ATOM 562 NH2 ARG A 38 -24.533 3.901 3.134 1.00 0.00 N ATOM 0 H ARG A 38 -18.462 4.300 0.079 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.931 4.691 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.135 4.075 -2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.206 3.138 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.677 4.836 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.610 5.768 -0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -23.307 4.115 -0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.280 2.861 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 38 -22.583 4.905 1.961 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -24.445 2.424 0.275 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -25.576 2.200 1.613 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -24.039 4.610 3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -25.347 3.431 3.530 1.00 0.00 H new ATOM 576 N SER A 39 -19.463 7.034 -0.524 1.00 0.00 N ATOM 577 CA SER A 39 -19.737 8.455 -0.350 1.00 0.00 C ATOM 578 C SER A 39 -18.496 9.289 -0.653 1.00 0.00 C ATOM 579 O SER A 39 -18.540 10.218 -1.459 1.00 0.00 O ATOM 580 CB SER A 39 -20.216 8.733 1.076 1.00 0.00 C ATOM 581 OG SER A 39 -20.140 10.115 1.380 1.00 0.00 O ATOM 0 H SER A 39 -19.201 6.547 0.333 1.00 0.00 H new ATOM 0 HA SER A 39 -20.523 8.736 -1.051 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.244 8.388 1.191 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.609 8.168 1.783 1.00 0.00 H new ATOM 0 HG SER A 39 -20.453 10.266 2.296 1.00 0.00 H new ATOM 587 N GLY A 40 -17.389 8.950 0.000 1.00 0.00 N ATOM 588 CA GLY A 40 -16.150 9.676 -0.212 1.00 0.00 C ATOM 589 C GLY A 40 -15.436 9.995 1.086 1.00 0.00 C ATOM 590 O GLY A 40 -14.207 9.939 1.158 1.00 0.00 O ATOM 0 H GLY A 40 -17.328 8.185 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.492 9.086 -0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.362 10.603 -0.744 1.00 0.00 H new ATOM 594 N LEU A 41 -16.205 10.334 2.115 1.00 0.00 N ATOM 595 CA LEU A 41 -15.638 10.666 3.417 1.00 0.00 C ATOM 596 C LEU A 41 -14.524 9.692 3.790 1.00 0.00 C ATOM 597 O LEU A 41 -13.524 10.080 4.393 1.00 0.00 O ATOM 598 CB LEU A 41 -16.728 10.646 4.490 1.00 0.00 C ATOM 599 CG LEU A 41 -17.933 11.555 4.239 1.00 0.00 C ATOM 600 CD1 LEU A 41 -19.033 11.274 5.251 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.518 13.018 4.291 1.00 0.00 C ATOM 0 H LEU A 41 -17.223 10.386 2.073 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.214 11.669 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -17.086 9.622 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.278 10.927 5.442 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.322 11.344 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.882 11.930 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.350 10.235 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.656 11.456 6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.388 13.650 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.103 13.244 5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.765 13.210 3.527 1.00 0.00 H new ATOM 613 N ALA A 42 -14.705 8.427 3.426 1.00 0.00 N ATOM 614 CA ALA A 42 -13.713 7.399 3.718 1.00 0.00 C ATOM 615 C ALA A 42 -12.323 7.832 3.264 1.00 0.00 C ATOM 616 O ALA A 42 -11.391 7.901 4.066 1.00 0.00 O ATOM 617 CB ALA A 42 -14.103 6.087 3.054 1.00 0.00 C ATOM 0 H ALA A 42 -15.529 8.089 2.929 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.684 7.253 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.354 5.328 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.073 5.763 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.162 6.229 1.975 1.00 0.00 H new ATOM 623 N LEU A 43 -12.191 8.121 1.975 1.00 0.00 N ATOM 624 CA LEU A 43 -10.913 8.547 1.414 1.00 0.00 C ATOM 625 C LEU A 43 -10.511 9.916 1.953 1.00 0.00 C ATOM 626 O LEU A 43 -9.415 10.085 2.489 1.00 0.00 O ATOM 627 CB LEU A 43 -10.994 8.591 -0.113 1.00 0.00 C ATOM 628 CG LEU A 43 -9.756 9.124 -0.835 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.534 8.287 -0.490 1.00 0.00 C ATOM 630 CD2 LEU A 43 -9.983 9.143 -2.340 1.00 0.00 C ATOM 0 H LEU A 43 -12.952 8.068 1.298 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.154 7.823 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.196 7.583 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.848 9.208 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.577 10.146 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.663 8.682 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.359 8.324 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.703 7.254 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.092 9.525 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.188 8.131 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.832 9.786 -2.572 1.00 0.00 H new ATOM 642 N CYS A 44 -11.404 10.889 1.809 1.00 0.00 N ATOM 643 CA CYS A 44 -11.142 12.243 2.283 1.00 0.00 C ATOM 644 C CYS A 44 -10.488 12.220 3.660 1.00 0.00 C ATOM 645 O CYS A 44 -9.592 13.013 3.946 1.00 0.00 O ATOM 646 CB CYS A 44 -12.442 13.047 2.335 1.00 0.00 C ATOM 647 SG CYS A 44 -13.180 13.365 0.716 1.00 0.00 S ATOM 0 H CYS A 44 -12.315 10.765 1.368 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.456 12.720 1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.163 12.511 2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.248 14.000 2.827 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.373 13.858 0.872 1.00 0.00 H new ATOM 653 N ALA A 45 -10.944 11.306 4.511 1.00 0.00 N ATOM 654 CA ALA A 45 -10.403 11.180 5.859 1.00 0.00 C ATOM 655 C ALA A 45 -8.897 10.939 5.825 1.00 0.00 C ATOM 656 O ALA A 45 -8.124 11.707 6.399 1.00 0.00 O ATOM 657 CB ALA A 45 -11.103 10.054 6.605 1.00 0.00 C ATOM 0 H ALA A 45 -11.686 10.642 4.291 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.583 12.117 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.689 9.971 7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.170 10.268 6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.952 9.115 6.072 1.00 0.00 H new ATOM 663 N ILE A 46 -8.489 9.870 5.151 1.00 0.00 N ATOM 664 CA ILE A 46 -7.076 9.529 5.044 1.00 0.00 C ATOM 665 C ILE A 46 -6.237 10.759 4.715 1.00 0.00 C ATOM 666 O ILE A 46 -5.241 11.040 5.382 1.00 0.00 O ATOM 667 CB ILE A 46 -6.836 8.455 3.966 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.545 7.154 4.345 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.345 8.217 3.778 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.616 6.152 3.214 1.00 0.00 C ATOM 0 H ILE A 46 -9.116 9.225 4.671 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.773 9.134 6.013 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.249 8.810 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.027 6.700 5.190 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.557 7.385 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.192 7.456 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.865 9.145 3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.909 7.880 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.132 5.254 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.161 6.587 2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.607 5.891 2.895 1.00 0.00 H new ATOM 682 N ILE A 47 -6.648 11.490 3.684 1.00 0.00 N ATOM 683 CA ILE A 47 -5.936 12.692 3.269 1.00 0.00 C ATOM 684 C ILE A 47 -5.978 13.760 4.357 1.00 0.00 C ATOM 685 O ILE A 47 -4.947 14.126 4.923 1.00 0.00 O ATOM 686 CB ILE A 47 -6.525 13.276 1.971 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.581 12.202 0.882 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.703 14.468 1.505 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.586 12.498 -0.208 1.00 0.00 C ATOM 0 H ILE A 47 -7.470 11.271 3.121 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.902 12.399 3.090 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.541 13.617 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.592 12.098 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.826 11.244 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.132 14.869 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.710 15.239 2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.677 14.152 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.571 11.695 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.583 12.573 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.330 13.440 -0.693 1.00 0.00 H new ATOM 701 N HIS A 48 -7.177 14.254 4.648 1.00 0.00 N ATOM 702 CA HIS A 48 -7.354 15.279 5.671 1.00 0.00 C ATOM 703 C HIS A 48 -6.574 14.925 6.934 1.00 0.00 C ATOM 704 O HIS A 48 -6.114 15.807 7.659 1.00 0.00 O ATOM 705 CB HIS A 48 -8.837 15.447 6.003 1.00 0.00 C ATOM 706 CG HIS A 48 -9.086 15.957 7.389 1.00 0.00 C ATOM 707 ND1 HIS A 48 -9.398 15.133 8.450 1.00 0.00 N ATOM 708 CD2 HIS A 48 -9.066 17.216 7.886 1.00 0.00 C ATOM 709 CE1 HIS A 48 -9.561 15.863 9.538 1.00 0.00 C ATOM 710 NE2 HIS A 48 -9.365 17.131 9.223 1.00 0.00 N ATOM 0 H HIS A 48 -8.040 13.961 4.190 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.969 16.220 5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.286 16.134 5.286 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.339 14.487 5.882 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -9.489 14.118 8.402 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.854 18.119 7.333 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.812 15.487 10.519 1.00 0.00 H new ATOM 719 N ARG A 49 -6.431 13.629 7.192 1.00 0.00 N ATOM 720 CA ARG A 49 -5.710 13.159 8.368 1.00 0.00 C ATOM 721 C ARG A 49 -4.283 13.700 8.383 1.00 0.00 C ATOM 722 O ARG A 49 -3.883 14.401 9.313 1.00 0.00 O ATOM 723 CB ARG A 49 -5.687 11.630 8.402 1.00 0.00 C ATOM 724 CG ARG A 49 -5.622 11.052 9.807 1.00 0.00 C ATOM 725 CD ARG A 49 -4.331 11.443 10.510 1.00 0.00 C ATOM 726 NE ARG A 49 -3.940 10.462 11.519 1.00 0.00 N ATOM 727 CZ ARG A 49 -3.469 9.255 11.226 1.00 0.00 C ATOM 728 NH1 ARG A 49 -3.331 8.882 9.961 1.00 0.00 N ATOM 729 NH2 ARG A 49 -3.133 8.418 12.200 1.00 0.00 N ATOM 0 H ARG A 49 -6.805 12.886 6.602 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.230 13.527 9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.579 11.251 7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.828 11.275 7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.475 11.405 10.387 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.697 9.966 9.759 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.533 11.544 9.774 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.455 12.418 10.981 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.034 10.718 12.502 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.587 9.523 9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.969 7.955 9.739 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.236 8.701 13.174 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.771 7.491 11.974 1.00 0.00 H new ATOM 743 N PHE A 50 -3.520 13.369 7.347 1.00 0.00 N ATOM 744 CA PHE A 50 -2.137 13.820 7.241 1.00 0.00 C ATOM 745 C PHE A 50 -2.074 15.291 6.842 1.00 0.00 C ATOM 746 O PHE A 50 -1.357 16.082 7.456 1.00 0.00 O ATOM 747 CB PHE A 50 -1.378 12.970 6.220 1.00 0.00 C ATOM 748 CG PHE A 50 -0.967 11.625 6.747 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.898 10.610 6.895 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.351 11.375 7.095 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.524 9.371 7.379 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.732 10.138 7.579 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.207 9.135 7.723 1.00 0.00 C ATOM 0 H PHE A 50 -3.836 12.790 6.569 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.668 13.706 8.218 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.004 12.830 5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.489 13.512 5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.929 10.789 6.629 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.089 12.156 6.987 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.260 8.588 7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.763 9.956 7.844 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.088 8.168 8.104 1.00 0.00 H new ATOM 763 N ARG A 51 -2.828 15.651 5.809 1.00 0.00 N ATOM 764 CA ARG A 51 -2.857 17.026 5.326 1.00 0.00 C ATOM 765 C ARG A 51 -4.282 17.572 5.324 1.00 0.00 C ATOM 766 O ARG A 51 -5.013 17.463 4.339 1.00 0.00 O ATOM 767 CB ARG A 51 -2.267 17.107 3.917 1.00 0.00 C ATOM 768 CG ARG A 51 -0.747 17.127 3.894 1.00 0.00 C ATOM 769 CD ARG A 51 -0.202 18.499 4.261 1.00 0.00 C ATOM 770 NE ARG A 51 1.178 18.431 4.734 1.00 0.00 N ATOM 771 CZ ARG A 51 1.515 18.067 5.966 1.00 0.00 C ATOM 772 NH1 ARG A 51 0.577 17.739 6.844 1.00 0.00 N ATOM 773 NH2 ARG A 51 2.793 18.030 6.322 1.00 0.00 N ATOM 0 H ARG A 51 -3.427 15.009 5.290 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.254 17.634 6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.620 16.256 3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.641 18.006 3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.362 16.383 4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.393 16.847 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.255 19.155 3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.829 18.943 5.034 1.00 0.00 H new ATOM 0 HE ARG A 51 1.924 18.676 4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.406 17.766 6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.839 17.460 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.517 18.281 5.649 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.051 17.750 7.268 1.00 0.00 H new ATOM 787 N PRO A 52 -4.688 18.172 6.452 1.00 0.00 N ATOM 788 CA PRO A 52 -6.028 18.747 6.605 1.00 0.00 C ATOM 789 C PRO A 52 -6.224 19.996 5.754 1.00 0.00 C ATOM 790 O PRO A 52 -7.350 20.350 5.405 1.00 0.00 O ATOM 791 CB PRO A 52 -6.095 19.098 8.094 1.00 0.00 C ATOM 792 CG PRO A 52 -4.675 19.293 8.501 1.00 0.00 C ATOM 793 CD PRO A 52 -3.870 18.338 7.665 1.00 0.00 C ATOM 0 HA PRO A 52 -6.807 18.057 6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.683 20.001 8.262 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.565 18.300 8.668 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.358 20.322 8.332 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.542 19.089 9.563 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.884 18.740 7.433 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.714 17.389 8.177 1.00 0.00 H new ATOM 801 N GLU A 53 -5.121 20.660 5.423 1.00 0.00 N ATOM 802 CA GLU A 53 -5.174 21.871 4.612 1.00 0.00 C ATOM 803 C GLU A 53 -5.847 21.598 3.269 1.00 0.00 C ATOM 804 O GLU A 53 -6.617 22.419 2.770 1.00 0.00 O ATOM 805 CB GLU A 53 -3.764 22.422 4.385 1.00 0.00 C ATOM 806 CG GLU A 53 -3.713 23.577 3.400 1.00 0.00 C ATOM 807 CD GLU A 53 -2.578 24.540 3.689 1.00 0.00 C ATOM 808 OE1 GLU A 53 -2.790 25.486 4.476 1.00 0.00 O ATOM 809 OE2 GLU A 53 -1.479 24.349 3.128 1.00 0.00 O ATOM 0 H GLU A 53 -4.181 20.380 5.703 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.764 22.612 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.354 22.751 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.123 21.618 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.602 23.183 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.659 24.117 3.430 1.00 0.00 H new ATOM 816 N LEU A 54 -5.551 20.440 2.691 1.00 0.00 N ATOM 817 CA LEU A 54 -6.126 20.057 1.406 1.00 0.00 C ATOM 818 C LEU A 54 -7.618 19.771 1.541 1.00 0.00 C ATOM 819 O LEU A 54 -8.430 20.283 0.770 1.00 0.00 O ATOM 820 CB LEU A 54 -5.407 18.827 0.849 1.00 0.00 C ATOM 821 CG LEU A 54 -3.881 18.903 0.807 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.290 17.563 0.395 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.428 20.002 -0.142 1.00 0.00 C ATOM 0 H LEU A 54 -4.916 19.749 3.091 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.996 20.890 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.691 17.962 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.770 18.646 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.521 19.143 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.203 17.637 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.586 16.799 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.657 17.292 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.339 20.042 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.799 19.792 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.821 20.961 0.197 1.00 0.00 H new ATOM 835 N ILE A 55 -7.971 18.952 2.526 1.00 0.00 N ATOM 836 CA ILE A 55 -9.366 18.600 2.764 1.00 0.00 C ATOM 837 C ILE A 55 -9.732 18.768 4.235 1.00 0.00 C ATOM 838 O ILE A 55 -9.001 18.325 5.120 1.00 0.00 O ATOM 839 CB ILE A 55 -9.663 17.152 2.334 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.249 16.934 0.877 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.138 16.835 2.524 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.614 15.566 0.343 1.00 0.00 C ATOM 0 H ILE A 55 -7.311 18.520 3.172 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.970 19.279 2.162 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.082 16.476 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.721 17.695 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.172 17.074 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.332 15.808 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.404 16.955 3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.737 17.515 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.291 15.482 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.121 14.799 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.694 15.430 0.398 1.00 0.00 H new ATOM 854 N ASN A 56 -10.869 19.408 4.487 1.00 0.00 N ATOM 855 CA ASN A 56 -11.333 19.632 5.851 1.00 0.00 C ATOM 856 C ASN A 56 -12.600 18.831 6.134 1.00 0.00 C ATOM 857 O ASN A 56 -13.707 19.268 5.821 1.00 0.00 O ATOM 858 CB ASN A 56 -11.596 21.121 6.084 1.00 0.00 C ATOM 859 CG ASN A 56 -10.717 22.006 5.220 1.00 0.00 C ATOM 860 OD1 ASN A 56 -9.497 22.034 5.381 1.00 0.00 O ATOM 861 ND2 ASN A 56 -11.336 22.733 4.298 1.00 0.00 N ATOM 0 H ASN A 56 -11.486 19.780 3.765 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.552 19.296 6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.643 21.339 5.875 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.424 21.357 7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.798 23.347 3.687 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.350 22.678 4.201 1.00 0.00 H new ATOM 868 N PHE A 57 -12.429 17.654 6.727 1.00 0.00 N ATOM 869 CA PHE A 57 -13.558 16.790 7.052 1.00 0.00 C ATOM 870 C PHE A 57 -14.744 17.610 7.552 1.00 0.00 C ATOM 871 O PHE A 57 -15.898 17.287 7.271 1.00 0.00 O ATOM 872 CB PHE A 57 -13.153 15.761 8.110 1.00 0.00 C ATOM 873 CG PHE A 57 -13.977 14.506 8.071 1.00 0.00 C ATOM 874 CD1 PHE A 57 -13.652 13.475 7.204 1.00 0.00 C ATOM 875 CD2 PHE A 57 -15.076 14.357 8.901 1.00 0.00 C ATOM 876 CE1 PHE A 57 -14.408 12.318 7.166 1.00 0.00 C ATOM 877 CE2 PHE A 57 -15.835 13.202 8.868 1.00 0.00 C ATOM 878 CZ PHE A 57 -15.501 12.182 7.999 1.00 0.00 C ATOM 0 H PHE A 57 -11.519 17.277 6.992 1.00 0.00 H new ATOM 0 HA PHE A 57 -13.857 16.268 6.143 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.104 15.502 7.970 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.241 16.213 9.098 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.798 13.576 6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.343 15.152 9.582 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.144 11.522 6.486 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.689 13.097 9.521 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.094 11.280 7.971 1.00 0.00 H new ATOM 888 N ASP A 58 -14.450 18.672 8.294 1.00 0.00 N ATOM 889 CA ASP A 58 -15.491 19.539 8.834 1.00 0.00 C ATOM 890 C ASP A 58 -16.279 20.205 7.711 1.00 0.00 C ATOM 891 O ASP A 58 -17.505 20.299 7.770 1.00 0.00 O ATOM 892 CB ASP A 58 -14.876 20.604 9.744 1.00 0.00 C ATOM 893 CG ASP A 58 -15.925 21.379 10.517 1.00 0.00 C ATOM 894 OD1 ASP A 58 -16.988 20.799 10.820 1.00 0.00 O ATOM 895 OD2 ASP A 58 -15.682 22.567 10.819 1.00 0.00 O ATOM 0 H ASP A 58 -13.500 18.953 8.535 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.175 18.924 9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.190 20.127 10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.287 21.296 9.142 1.00 0.00 H new ATOM 900 N SER A 59 -15.567 20.668 6.689 1.00 0.00 N ATOM 901 CA SER A 59 -16.199 21.331 5.554 1.00 0.00 C ATOM 902 C SER A 59 -16.913 20.319 4.663 1.00 0.00 C ATOM 903 O SER A 59 -17.909 20.640 4.013 1.00 0.00 O ATOM 904 CB SER A 59 -15.157 22.099 4.739 1.00 0.00 C ATOM 905 OG SER A 59 -14.875 23.357 5.328 1.00 0.00 O ATOM 0 H SER A 59 -14.552 20.596 6.623 1.00 0.00 H new ATOM 0 HA SER A 59 -16.937 22.034 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.241 21.513 4.670 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.521 22.244 3.722 1.00 0.00 H new ATOM 0 HG SER A 59 -14.205 23.828 4.789 1.00 0.00 H new ATOM 911 N LEU A 60 -16.396 19.095 4.636 1.00 0.00 N ATOM 912 CA LEU A 60 -16.982 18.034 3.825 1.00 0.00 C ATOM 913 C LEU A 60 -18.387 17.691 4.310 1.00 0.00 C ATOM 914 O LEU A 60 -18.559 17.100 5.375 1.00 0.00 O ATOM 915 CB LEU A 60 -16.098 16.787 3.865 1.00 0.00 C ATOM 916 CG LEU A 60 -14.676 16.955 3.329 1.00 0.00 C ATOM 917 CD1 LEU A 60 -13.909 15.646 3.430 1.00 0.00 C ATOM 918 CD2 LEU A 60 -14.703 17.450 1.890 1.00 0.00 C ATOM 0 H LEU A 60 -15.572 18.813 5.167 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.049 18.391 2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.037 16.442 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.589 15.999 3.294 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.164 17.700 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.899 15.785 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.859 15.333 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.418 14.880 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.682 17.564 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.233 16.729 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.213 18.412 1.846 1.00 0.00 H new ATOM 930 N ASN A 61 -19.388 18.065 3.520 1.00 0.00 N ATOM 931 CA ASN A 61 -20.779 17.795 3.869 1.00 0.00 C ATOM 932 C ASN A 61 -21.120 16.325 3.646 1.00 0.00 C ATOM 933 O ASN A 61 -21.154 15.851 2.511 1.00 0.00 O ATOM 934 CB ASN A 61 -21.714 18.678 3.041 1.00 0.00 C ATOM 935 CG ASN A 61 -23.170 18.285 3.198 1.00 0.00 C ATOM 936 OD1 ASN A 61 -23.480 17.586 4.285 1.00 0.00 O flip ATOM 937 ND2 ASN A 61 -24.006 18.605 2.354 1.00 0.00 N flip ATOM 0 H ASN A 61 -19.263 18.556 2.635 1.00 0.00 H new ATOM 0 HA ASN A 61 -20.914 18.025 4.926 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -21.587 19.718 3.341 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -21.434 18.613 1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -23.723 19.142 1.534 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -24.982 18.333 2.474 1.00 0.00 H new ATOM 944 N GLU A 62 -21.371 15.609 4.738 1.00 0.00 N ATOM 945 CA GLU A 62 -21.709 14.193 4.661 1.00 0.00 C ATOM 946 C GLU A 62 -22.832 13.955 3.655 1.00 0.00 C ATOM 947 O GLU A 62 -22.902 12.899 3.026 1.00 0.00 O ATOM 948 CB GLU A 62 -22.124 13.669 6.038 1.00 0.00 C ATOM 949 CG GLU A 62 -23.379 14.328 6.586 1.00 0.00 C ATOM 950 CD GLU A 62 -23.115 15.713 7.144 1.00 0.00 C ATOM 951 OE1 GLU A 62 -22.028 15.922 7.722 1.00 0.00 O ATOM 952 OE2 GLU A 62 -23.995 16.588 7.002 1.00 0.00 O ATOM 0 H GLU A 62 -21.347 15.986 5.685 1.00 0.00 H new ATOM 0 HA GLU A 62 -20.824 13.653 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.287 12.593 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.305 13.827 6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.125 14.396 5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.802 13.699 7.369 1.00 0.00 H new ATOM 959 N ASP A 63 -23.707 14.944 3.510 1.00 0.00 N ATOM 960 CA ASP A 63 -24.826 14.844 2.581 1.00 0.00 C ATOM 961 C ASP A 63 -24.347 14.963 1.138 1.00 0.00 C ATOM 962 O ASP A 63 -24.906 14.342 0.234 1.00 0.00 O ATOM 963 CB ASP A 63 -25.863 15.929 2.879 1.00 0.00 C ATOM 964 CG ASP A 63 -27.015 15.914 1.894 1.00 0.00 C ATOM 965 OD1 ASP A 63 -27.880 15.019 2.006 1.00 0.00 O ATOM 966 OD2 ASP A 63 -27.054 16.797 1.013 1.00 0.00 O ATOM 0 H ASP A 63 -23.663 15.824 4.024 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.288 13.865 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -26.250 15.790 3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.380 16.906 2.854 1.00 0.00 H new ATOM 971 N ASP A 64 -23.309 15.766 0.929 1.00 0.00 N ATOM 972 CA ASP A 64 -22.754 15.967 -0.404 1.00 0.00 C ATOM 973 C ASP A 64 -21.771 14.855 -0.757 1.00 0.00 C ATOM 974 O ASP A 64 -20.619 15.119 -1.103 1.00 0.00 O ATOM 975 CB ASP A 64 -22.059 17.326 -0.491 1.00 0.00 C ATOM 976 CG ASP A 64 -23.027 18.483 -0.340 1.00 0.00 C ATOM 977 OD1 ASP A 64 -24.221 18.303 -0.660 1.00 0.00 O ATOM 978 OD2 ASP A 64 -22.592 19.567 0.100 1.00 0.00 O ATOM 0 H ASP A 64 -22.835 16.288 1.666 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.575 15.942 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.296 17.391 0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.546 17.408 -1.449 1.00 0.00 H new ATOM 983 N ALA A 65 -22.232 13.613 -0.665 1.00 0.00 N ATOM 984 CA ALA A 65 -21.394 12.461 -0.975 1.00 0.00 C ATOM 985 C ALA A 65 -20.758 12.601 -2.353 1.00 0.00 C ATOM 986 O ALA A 65 -19.557 12.385 -2.519 1.00 0.00 O ATOM 987 CB ALA A 65 -22.208 11.178 -0.894 1.00 0.00 C ATOM 0 H ALA A 65 -23.182 13.378 -0.378 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.593 12.416 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.569 10.326 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.609 11.065 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.029 11.223 -1.609 1.00 0.00 H new ATOM 993 N VAL A 66 -21.570 12.963 -3.341 1.00 0.00 N ATOM 994 CA VAL A 66 -21.086 13.131 -4.706 1.00 0.00 C ATOM 995 C VAL A 66 -19.843 14.013 -4.744 1.00 0.00 C ATOM 996 O VAL A 66 -18.802 13.612 -5.262 1.00 0.00 O ATOM 997 CB VAL A 66 -22.168 13.749 -5.613 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.599 14.054 -6.990 1.00 0.00 C ATOM 999 CG2 VAL A 66 -23.369 12.821 -5.716 1.00 0.00 C ATOM 0 H VAL A 66 -22.566 13.146 -3.222 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.835 12.137 -5.077 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.500 14.687 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.377 14.490 -7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.773 14.759 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -21.239 13.132 -7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -24.124 13.273 -6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -23.056 11.866 -6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.789 12.658 -4.724 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.961 15.216 -4.190 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.845 16.155 -4.161 1.00 0.00 C ATOM 1011 C GLU A 67 -17.645 15.552 -3.436 1.00 0.00 C ATOM 1012 O GLU A 67 -16.521 15.594 -3.934 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.265 17.458 -3.478 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.120 18.357 -4.355 1.00 0.00 C ATOM 1015 CD GLU A 67 -20.360 19.720 -3.735 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -20.836 19.771 -2.581 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -20.074 20.735 -4.403 1.00 0.00 O ATOM 0 H GLU A 67 -20.816 15.563 -3.756 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.556 16.369 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.817 17.220 -2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.372 18.004 -3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.634 18.483 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -21.079 17.872 -4.540 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.894 14.992 -2.257 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.834 14.381 -1.462 1.00 0.00 C ATOM 1026 C ASN A 68 -15.892 13.569 -2.346 1.00 0.00 C ATOM 1027 O ASN A 68 -14.693 13.840 -2.405 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.434 13.484 -0.378 1.00 0.00 C ATOM 1029 CG ASN A 68 -17.693 14.234 0.915 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -16.851 14.255 1.812 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -18.863 14.854 1.014 1.00 0.00 N ATOM 0 H ASN A 68 -18.820 14.948 -1.831 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.262 15.179 -0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.369 13.056 -0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.757 12.652 -0.183 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.094 15.375 1.860 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.531 14.809 0.244 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.443 12.572 -3.031 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.652 11.720 -3.911 1.00 0.00 C ATOM 1040 C ASN A 69 -14.888 12.556 -4.934 1.00 0.00 C ATOM 1041 O ASN A 69 -13.658 12.555 -4.956 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.554 10.714 -4.628 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.181 9.717 -3.674 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.505 9.160 -2.808 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.480 9.486 -3.828 1.00 0.00 N ATOM 0 H ASN A 69 -17.434 12.334 -2.993 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.931 11.178 -3.299 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.341 11.250 -5.158 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -15.972 10.178 -5.378 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.957 8.824 -3.215 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.001 9.970 -4.559 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.628 13.266 -5.780 1.00 0.00 N ATOM 1053 CA GLN A 70 -15.020 14.106 -6.805 1.00 0.00 C ATOM 1054 C GLN A 70 -13.830 14.877 -6.243 1.00 0.00 C ATOM 1055 O GLN A 70 -12.778 14.964 -6.877 1.00 0.00 O ATOM 1056 CB GLN A 70 -16.053 15.081 -7.374 1.00 0.00 C ATOM 1057 CG GLN A 70 -16.812 14.533 -8.571 1.00 0.00 C ATOM 1058 CD GLN A 70 -15.978 14.523 -9.837 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -15.215 13.454 -10.034 1.00 0.00 O flip ATOM 1060 NE2 GLN A 70 -16.019 15.465 -10.628 1.00 0.00 N flip ATOM 0 H GLN A 70 -16.648 13.276 -5.776 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.663 13.458 -7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.765 15.341 -6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.549 16.003 -7.665 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.145 13.518 -8.352 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.707 15.133 -8.735 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.620 16.266 -10.436 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.452 15.444 -11.476 1.00 0.00 H new ATOM 1069 N LEU A 71 -14.004 15.436 -5.051 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.944 16.201 -4.403 1.00 0.00 C ATOM 1071 C LEU A 71 -11.684 15.357 -4.242 1.00 0.00 C ATOM 1072 O LEU A 71 -10.655 15.638 -4.856 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.414 16.703 -3.036 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.416 17.562 -2.258 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -12.030 18.793 -3.064 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -12.997 17.965 -0.911 1.00 0.00 C ATOM 0 H LEU A 71 -14.869 15.374 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.707 17.056 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.327 17.281 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.675 15.840 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.517 16.972 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.319 19.392 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.573 18.484 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.921 19.386 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.274 18.576 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.912 18.538 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.223 17.071 -0.330 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.773 14.321 -3.415 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.641 13.433 -3.177 1.00 0.00 C ATOM 1090 C ALA A 72 -9.930 13.090 -4.481 1.00 0.00 C ATOM 1091 O ALA A 72 -8.707 13.196 -4.580 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.104 12.165 -2.476 1.00 0.00 C ATOM 0 H ALA A 72 -12.617 14.075 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.932 13.952 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.249 11.511 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.561 12.423 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.835 11.650 -3.100 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.702 12.677 -5.481 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.145 12.316 -6.779 1.00 0.00 C ATOM 1100 C PHE A 73 -9.373 13.485 -7.383 1.00 0.00 C ATOM 1101 O PHE A 73 -8.222 13.336 -7.794 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.260 11.879 -7.732 1.00 0.00 C ATOM 1103 CG PHE A 73 -12.060 10.713 -7.225 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.448 9.692 -6.516 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.424 10.639 -7.458 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.181 8.618 -6.048 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.162 9.567 -6.991 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.540 8.555 -6.287 1.00 0.00 C ATOM 0 H PHE A 73 -11.716 12.584 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.455 11.485 -6.633 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.930 12.721 -7.905 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.822 11.617 -8.695 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.386 9.736 -6.327 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.916 11.427 -8.010 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.692 7.829 -5.496 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.225 9.521 -7.177 1.00 0.00 H new ATOM 0 HZ PHE A 73 -14.115 7.716 -5.924 1.00 0.00 H new ATOM 1118 N ASP A 74 -10.015 14.646 -7.435 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.389 15.842 -7.988 1.00 0.00 C ATOM 1120 C ASP A 74 -8.086 16.160 -7.261 1.00 0.00 C ATOM 1121 O ASP A 74 -7.059 16.417 -7.888 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.344 17.033 -7.895 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.855 18.230 -8.686 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -9.773 18.128 -9.928 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -9.554 19.270 -8.063 1.00 0.00 O ATOM 0 H ASP A 74 -10.969 14.785 -7.101 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.161 15.651 -9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.327 16.736 -8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.465 17.317 -6.850 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.137 16.142 -5.932 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.961 16.428 -5.119 1.00 0.00 C ATOM 1132 C VAL A 75 -5.831 15.451 -5.423 1.00 0.00 C ATOM 1133 O VAL A 75 -4.679 15.851 -5.588 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.290 16.364 -3.615 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -6.024 16.509 -2.785 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.305 17.435 -3.246 1.00 0.00 C ATOM 0 H VAL A 75 -8.980 15.933 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.640 17.439 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.729 15.390 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.276 16.461 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.334 15.702 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.554 17.468 -3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.526 17.375 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.896 18.419 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.221 17.280 -3.816 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.169 14.168 -5.495 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.183 13.134 -5.782 1.00 0.00 C ATOM 1148 C ALA A 76 -4.643 13.269 -7.202 1.00 0.00 C ATOM 1149 O ALA A 76 -3.456 13.055 -7.446 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.790 11.754 -5.576 1.00 0.00 C ATOM 0 H ALA A 76 -7.118 13.820 -5.359 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.350 13.260 -5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.042 10.991 -5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.121 11.653 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.642 11.628 -6.244 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.522 13.623 -8.133 1.00 0.00 N ATOM 1157 CA GLU A 77 -5.132 13.785 -9.529 1.00 0.00 C ATOM 1158 C GLU A 77 -4.336 15.072 -9.726 1.00 0.00 C ATOM 1159 O GLU A 77 -3.732 15.287 -10.777 1.00 0.00 O ATOM 1160 CB GLU A 77 -6.368 13.794 -10.430 1.00 0.00 C ATOM 1161 CG GLU A 77 -6.051 13.594 -11.902 1.00 0.00 C ATOM 1162 CD GLU A 77 -7.188 14.024 -12.808 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -8.331 14.130 -12.317 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -6.934 14.255 -14.009 1.00 0.00 O ATOM 0 H GLU A 77 -6.509 13.803 -7.947 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.499 12.941 -9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.050 13.009 -10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.891 14.742 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.155 14.160 -12.157 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.826 12.543 -12.082 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.341 15.925 -8.707 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.622 17.192 -8.768 1.00 0.00 C ATOM 1173 C ARG A 78 -2.305 17.107 -8.001 1.00 0.00 C ATOM 1174 O ARG A 78 -1.230 17.267 -8.577 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.484 18.320 -8.199 1.00 0.00 C ATOM 1176 CG ARG A 78 -3.788 19.672 -8.187 1.00 0.00 C ATOM 1177 CD ARG A 78 -3.501 20.162 -9.598 1.00 0.00 C ATOM 1178 NE ARG A 78 -2.688 21.376 -9.600 1.00 0.00 N ATOM 1179 CZ ARG A 78 -3.145 22.566 -9.227 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -4.400 22.702 -8.823 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -2.344 23.624 -9.257 1.00 0.00 N ATOM 0 H ARG A 78 -4.835 15.762 -7.830 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.401 17.406 -9.814 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.400 18.397 -8.785 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.778 18.063 -7.181 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.412 20.399 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.854 19.597 -7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.986 19.380 -10.156 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.442 20.355 -10.113 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.717 21.306 -9.904 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.018 21.891 -8.798 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.747 23.617 -8.537 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.377 23.523 -9.567 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.695 24.538 -8.971 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.399 16.855 -6.699 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.216 16.751 -5.855 1.00 0.00 C ATOM 1197 C GLU A 79 -0.454 15.460 -6.142 1.00 0.00 C ATOM 1198 O GLU A 79 0.742 15.483 -6.433 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.610 16.805 -4.377 1.00 0.00 C ATOM 1200 CG GLU A 79 -1.831 18.216 -3.857 1.00 0.00 C ATOM 1201 CD GLU A 79 -0.560 18.845 -3.321 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -0.264 18.658 -2.122 1.00 0.00 O ATOM 1203 OE2 GLU A 79 0.140 19.525 -4.101 1.00 0.00 O ATOM 0 H GLU A 79 -3.282 16.719 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.565 17.595 -6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.522 16.226 -4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.831 16.326 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.229 18.837 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.583 18.195 -3.068 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.156 14.335 -6.057 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.547 13.033 -6.306 1.00 0.00 C ATOM 1212 C PHE A 80 -0.502 12.731 -7.801 1.00 0.00 C ATOM 1213 O PHE A 80 0.218 11.837 -8.244 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.323 11.935 -5.576 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.475 12.187 -4.103 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.413 12.674 -3.357 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.679 11.937 -3.464 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.550 12.906 -2.001 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -2.821 12.167 -2.109 1.00 0.00 C ATOM 1220 CZ PHE A 80 -1.756 12.653 -1.377 1.00 0.00 C ATOM 0 H PHE A 80 -2.147 14.298 -5.818 1.00 0.00 H new ATOM 0 HA PHE A 80 0.475 13.059 -5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.312 11.841 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.814 10.982 -5.723 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.532 12.874 -3.840 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.516 11.558 -4.032 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.285 13.285 -1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.764 11.967 -1.623 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.866 12.835 -0.318 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.278 13.484 -8.575 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.313 13.282 -10.012 1.00 0.00 C ATOM 1232 C GLY A 81 -1.804 11.899 -10.391 1.00 0.00 C ATOM 1233 O GLY A 81 -1.363 11.328 -11.389 1.00 0.00 O ATOM 0 H GLY A 81 -1.883 14.230 -8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.962 14.031 -10.465 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.315 13.435 -10.422 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.719 11.358 -9.592 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.269 10.033 -9.849 1.00 0.00 C ATOM 1239 C ILE A 82 -4.655 10.127 -10.479 1.00 0.00 C ATOM 1240 O ILE A 82 -5.590 10.681 -9.902 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.360 9.201 -8.557 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -1.975 9.044 -7.926 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -3.974 7.839 -8.846 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -1.993 8.315 -6.601 1.00 0.00 C ATOM 0 H ILE A 82 -3.094 11.817 -8.762 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.589 9.538 -10.543 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.003 9.725 -7.850 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.328 8.506 -8.619 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.536 10.031 -7.782 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.032 7.263 -7.923 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.976 7.971 -9.255 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.355 7.307 -9.568 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.977 8.241 -6.213 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.613 8.864 -5.892 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.402 7.314 -6.742 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.792 9.570 -11.692 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.061 9.575 -12.426 1.00 0.00 C ATOM 1258 C PRO A 83 -7.106 8.669 -11.784 1.00 0.00 C ATOM 1259 O PRO A 83 -6.854 7.500 -11.493 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.672 9.047 -13.809 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.451 8.227 -13.572 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.719 8.892 -12.439 1.00 0.00 C ATOM 0 HA PRO A 83 -6.517 10.565 -12.445 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.473 8.448 -14.244 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.472 9.864 -14.503 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.714 7.200 -13.318 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.830 8.185 -14.467 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.194 8.166 -11.818 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.973 9.599 -12.802 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.308 9.219 -11.557 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.416 8.477 -10.948 1.00 0.00 C ATOM 1272 C PRO A 84 -9.973 7.403 -11.875 1.00 0.00 C ATOM 1273 O PRO A 84 -9.934 7.542 -13.098 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.467 9.559 -10.689 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.170 10.623 -11.689 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.678 10.608 -11.879 1.00 0.00 C ATOM 0 HA PRO A 84 -9.105 7.943 -10.050 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.477 9.168 -10.815 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.398 9.942 -9.671 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.685 10.429 -12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.509 11.597 -11.335 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.400 10.872 -12.899 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.182 11.320 -11.219 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.494 6.331 -11.286 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.062 5.234 -12.060 1.00 0.00 C ATOM 1286 C VAL A 85 -12.550 5.449 -12.308 1.00 0.00 C ATOM 1287 O VAL A 85 -13.091 5.014 -13.326 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.861 3.883 -11.348 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.385 3.518 -11.300 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.454 3.925 -9.948 1.00 0.00 C ATOM 0 H VAL A 85 -10.534 6.199 -10.275 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.537 5.215 -13.015 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.383 3.112 -11.916 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.263 2.561 -10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.995 3.443 -12.315 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.837 4.288 -10.757 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.303 2.962 -9.460 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.963 4.707 -9.368 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.521 4.136 -10.011 1.00 0.00 H new ATOM 1300 N THR A 86 -13.210 6.123 -11.372 1.00 0.00 N ATOM 1301 CA THR A 86 -14.637 6.396 -11.488 1.00 0.00 C ATOM 1302 C THR A 86 -14.959 7.826 -11.067 1.00 0.00 C ATOM 1303 O THR A 86 -14.159 8.485 -10.403 1.00 0.00 O ATOM 1304 CB THR A 86 -15.466 5.422 -10.631 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.863 5.685 -10.804 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.100 5.547 -9.160 1.00 0.00 C ATOM 0 H THR A 86 -12.778 6.490 -10.524 1.00 0.00 H new ATOM 0 HA THR A 86 -14.901 6.261 -12.537 1.00 0.00 H new ATOM 0 HB THR A 86 -15.244 4.406 -10.958 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.384 5.060 -10.257 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.699 4.849 -8.575 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.043 5.317 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.295 6.565 -8.822 1.00 0.00 H new ATOM 1314 N THR A 87 -16.138 8.301 -11.458 1.00 0.00 N ATOM 1315 CA THR A 87 -16.566 9.653 -11.121 1.00 0.00 C ATOM 1316 C THR A 87 -17.384 9.666 -9.835 1.00 0.00 C ATOM 1317 O THR A 87 -18.229 8.800 -9.615 1.00 0.00 O ATOM 1318 CB THR A 87 -17.404 10.275 -12.255 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.539 9.448 -12.536 1.00 0.00 O ATOM 1320 CG2 THR A 87 -16.568 10.443 -13.515 1.00 0.00 C ATOM 0 H THR A 87 -16.813 7.769 -12.008 1.00 0.00 H new ATOM 0 HA THR A 87 -15.662 10.245 -10.979 1.00 0.00 H new ATOM 0 HB THR A 87 -17.744 11.258 -11.929 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.067 9.851 -13.256 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.180 10.884 -14.302 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.721 11.096 -13.305 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.203 9.469 -13.842 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.126 10.657 -8.986 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.847 10.765 -7.731 1.00 0.00 C ATOM 1330 C GLY A 88 -19.326 10.472 -7.885 1.00 0.00 C ATOM 1331 O GLY A 88 -19.913 9.756 -7.074 1.00 0.00 O ATOM 0 H GLY A 88 -16.431 11.386 -9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.416 10.073 -7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.719 11.769 -7.327 1.00 0.00 H new ATOM 1335 N LYS A 89 -19.932 11.028 -8.929 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.352 10.824 -9.188 1.00 0.00 C ATOM 1337 C LYS A 89 -21.687 9.337 -9.243 1.00 0.00 C ATOM 1338 O LYS A 89 -22.617 8.876 -8.582 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.754 11.497 -10.502 1.00 0.00 C ATOM 1340 CG LYS A 89 -22.023 12.986 -10.365 1.00 0.00 C ATOM 1341 CD LYS A 89 -22.979 13.481 -11.438 1.00 0.00 C ATOM 1342 CE LYS A 89 -24.423 13.153 -11.091 1.00 0.00 C ATOM 1343 NZ LYS A 89 -25.380 13.810 -12.023 1.00 0.00 N ATOM 0 H LYS A 89 -19.461 11.624 -9.610 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.913 11.275 -8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.962 11.345 -11.235 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.647 11.009 -10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.442 13.192 -9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.083 13.534 -10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.868 14.559 -11.557 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.721 13.027 -12.395 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -24.568 12.073 -11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -24.633 13.472 -10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -26.353 13.562 -11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -25.259 14.842 -11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -25.197 13.486 -12.994 1.00 0.00 H new ATOM 1357 N GLU A 90 -20.922 8.592 -10.035 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.139 7.157 -10.175 1.00 0.00 C ATOM 1359 C GLU A 90 -20.771 6.423 -8.889 1.00 0.00 C ATOM 1360 O GLU A 90 -21.504 5.547 -8.430 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.317 6.606 -11.343 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.804 5.258 -11.848 1.00 0.00 C ATOM 1363 CD GLU A 90 -20.016 4.764 -13.045 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -20.227 5.297 -14.155 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -19.188 3.845 -12.873 1.00 0.00 O ATOM 0 H GLU A 90 -20.147 8.958 -10.589 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.198 6.993 -10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.342 7.323 -12.164 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.276 6.514 -11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.733 4.526 -11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.857 5.334 -12.118 1.00 0.00 H new ATOM 1372 N MET A 91 -19.629 6.786 -8.313 1.00 0.00 N ATOM 1373 CA MET A 91 -19.164 6.164 -7.080 1.00 0.00 C ATOM 1374 C MET A 91 -20.273 6.134 -6.033 1.00 0.00 C ATOM 1375 O MET A 91 -20.490 5.117 -5.374 1.00 0.00 O ATOM 1376 CB MET A 91 -17.949 6.915 -6.531 1.00 0.00 C ATOM 1377 CG MET A 91 -17.234 6.177 -5.411 1.00 0.00 C ATOM 1378 SD MET A 91 -16.514 4.616 -5.956 1.00 0.00 S ATOM 1379 CE MET A 91 -17.645 3.443 -5.211 1.00 0.00 C ATOM 0 H MET A 91 -19.009 7.508 -8.681 1.00 0.00 H new ATOM 0 HA MET A 91 -18.876 5.138 -7.307 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.245 7.095 -7.344 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.270 7.891 -6.166 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.447 6.814 -5.006 1.00 0.00 H new ATOM 0 HG3 MET A 91 -17.937 5.985 -4.601 1.00 0.00 H new ATOM 0 HE1 MET A 91 -17.256 2.433 -5.337 1.00 0.00 H new ATOM 0 HE2 MET A 91 -17.749 3.662 -4.148 1.00 0.00 H new ATOM 0 HE3 MET A 91 -18.619 3.519 -5.694 1.00 0.00 H new ATOM 1389 N ALA A 92 -20.973 7.254 -5.887 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.060 7.355 -4.922 1.00 0.00 C ATOM 1391 C ALA A 92 -23.325 6.684 -5.448 1.00 0.00 C ATOM 1392 O ALA A 92 -24.061 6.047 -4.694 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.335 8.814 -4.586 1.00 0.00 C ATOM 0 H ALA A 92 -20.806 8.104 -6.425 1.00 0.00 H new ATOM 0 HA ALA A 92 -21.755 6.836 -4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.149 8.874 -3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.439 9.264 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -22.614 9.350 -5.493 1.00 0.00 H new ATOM 1399 N SER A 93 -23.571 6.832 -6.746 1.00 0.00 N ATOM 1400 CA SER A 93 -24.750 6.243 -7.372 1.00 0.00 C ATOM 1401 C SER A 93 -24.726 4.723 -7.252 1.00 0.00 C ATOM 1402 O SER A 93 -25.600 4.124 -6.626 1.00 0.00 O ATOM 1403 CB SER A 93 -24.827 6.650 -8.844 1.00 0.00 C ATOM 1404 OG SER A 93 -25.170 8.019 -8.978 1.00 0.00 O ATOM 0 H SER A 93 -22.971 7.354 -7.384 1.00 0.00 H new ATOM 0 HA SER A 93 -25.633 6.616 -6.853 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.868 6.463 -9.327 1.00 0.00 H new ATOM 0 HB3 SER A 93 -25.567 6.035 -9.356 1.00 0.00 H new ATOM 0 HG SER A 93 -24.367 8.570 -8.867 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.718 4.104 -7.859 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.578 2.653 -7.820 1.00 0.00 C ATOM 1412 C ALA A 94 -23.677 2.130 -6.391 1.00 0.00 C ATOM 1413 O ALA A 94 -22.851 2.464 -5.541 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.257 2.234 -8.448 1.00 0.00 C ATOM 0 H ALA A 94 -22.987 4.585 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.395 2.218 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.165 1.148 -8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.226 2.567 -9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.432 2.686 -7.897 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.691 1.311 -6.134 1.00 0.00 N ATOM 1421 CA GLN A 95 -24.897 0.744 -4.807 1.00 0.00 C ATOM 1422 C GLN A 95 -23.708 -0.116 -4.392 1.00 0.00 C ATOM 1423 O GLN A 95 -23.056 0.155 -3.384 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.179 -0.090 -4.778 1.00 0.00 C ATOM 1425 CG GLN A 95 -27.392 0.641 -5.330 1.00 0.00 C ATOM 1426 CD GLN A 95 -27.882 1.738 -4.406 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -27.162 2.696 -4.124 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -29.114 1.604 -3.929 1.00 0.00 N ATOM 0 H GLN A 95 -25.383 1.025 -6.827 1.00 0.00 H new ATOM 0 HA GLN A 95 -24.992 1.567 -4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -26.022 -1.003 -5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.383 -0.392 -3.751 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -27.142 1.072 -6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -28.197 -0.074 -5.498 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -29.676 0.794 -4.189 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -29.498 2.311 -3.303 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.432 -1.154 -5.175 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.321 -2.054 -4.887 1.00 0.00 C ATOM 1439 C GLU A 96 -21.287 -2.019 -6.009 1.00 0.00 C ATOM 1440 O GLU A 96 -21.415 -2.700 -7.027 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.831 -3.484 -4.694 1.00 0.00 C ATOM 1442 CG GLU A 96 -21.953 -4.325 -3.783 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.268 -5.806 -3.875 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -21.893 -6.429 -4.890 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -22.888 -6.341 -2.932 1.00 0.00 O ATOM 0 H GLU A 96 -23.962 -1.393 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 96 -21.844 -1.718 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.839 -3.449 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -22.901 -3.970 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.907 -4.163 -4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.082 -3.993 -2.753 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.237 -1.206 -5.820 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.161 -1.062 -6.805 1.00 0.00 C ATOM 1454 C PRO A 97 -18.297 -2.314 -6.907 1.00 0.00 C ATOM 1455 O PRO A 97 -18.527 -3.298 -6.203 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.340 0.111 -6.263 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.605 0.114 -4.797 1.00 0.00 C ATOM 1458 CD PRO A 97 -20.020 -0.366 -4.631 1.00 0.00 C ATOM 0 HA PRO A 97 -19.548 -0.901 -7.811 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.278 -0.018 -6.473 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.643 1.052 -6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.907 -0.539 -4.273 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.480 1.113 -4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.146 -0.934 -3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.724 0.465 -4.592 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.303 -2.271 -7.787 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.403 -3.403 -7.980 1.00 0.00 C ATOM 1468 C ASP A 98 -15.356 -3.460 -6.872 1.00 0.00 C ATOM 1469 O ASP A 98 -14.824 -2.432 -6.453 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.717 -3.309 -9.344 1.00 0.00 C ATOM 1471 CG ASP A 98 -15.375 -4.671 -9.915 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -16.042 -5.657 -9.538 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -14.441 -4.750 -10.739 1.00 0.00 O ATOM 0 H ASP A 98 -17.100 -1.465 -8.378 1.00 0.00 H new ATOM 0 HA ASP A 98 -16.995 -4.317 -7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -16.369 -2.780 -10.039 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.806 -2.719 -9.249 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.066 -4.668 -6.401 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.083 -4.861 -5.342 1.00 0.00 C ATOM 1480 C LYS A 99 -12.664 -4.723 -5.885 1.00 0.00 C ATOM 1481 O LYS A 99 -11.783 -4.180 -5.216 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.261 -6.237 -4.696 1.00 0.00 C ATOM 1483 CG LYS A 99 -13.941 -7.392 -5.629 1.00 0.00 C ATOM 1484 CD LYS A 99 -14.752 -8.629 -5.283 1.00 0.00 C ATOM 1485 CE LYS A 99 -14.537 -9.739 -6.301 1.00 0.00 C ATOM 1486 NZ LYS A 99 -13.248 -10.452 -6.080 1.00 0.00 N ATOM 0 H LYS A 99 -15.498 -5.529 -6.736 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.242 -4.089 -4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.620 -6.302 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -15.289 -6.336 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -14.146 -7.097 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.878 -7.625 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.471 -8.984 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.810 -8.372 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.361 -10.451 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.551 -9.318 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.032 -11.043 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.486 -9.757 -5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.325 -11.054 -5.235 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.450 -5.214 -7.100 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.138 -5.144 -7.734 1.00 0.00 C ATOM 1502 C LEU A 100 -10.739 -3.696 -8.001 1.00 0.00 C ATOM 1503 O LEU A 100 -9.777 -3.190 -7.424 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.139 -5.935 -9.043 1.00 0.00 C ATOM 1505 CG LEU A 100 -10.750 -7.410 -8.937 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -9.271 -7.550 -8.610 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -11.599 -8.111 -7.886 1.00 0.00 C ATOM 0 H LEU A 100 -13.168 -5.665 -7.667 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.409 -5.583 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.135 -5.873 -9.480 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.455 -5.449 -9.738 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.935 -7.885 -9.901 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.013 -8.607 -8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.679 -7.084 -9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.061 -7.060 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.309 -9.160 -7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.446 -7.634 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.651 -8.042 -8.163 1.00 0.00 H new ATOM 1519 N SER A 101 -11.487 -3.035 -8.879 1.00 0.00 N ATOM 1520 CA SER A 101 -11.210 -1.645 -9.224 1.00 0.00 C ATOM 1521 C SER A 101 -10.981 -0.809 -7.969 1.00 0.00 C ATOM 1522 O SER A 101 -10.115 0.065 -7.942 1.00 0.00 O ATOM 1523 CB SER A 101 -12.367 -1.060 -10.036 1.00 0.00 C ATOM 1524 OG SER A 101 -12.272 -1.431 -11.401 1.00 0.00 O ATOM 0 H SER A 101 -12.288 -3.439 -9.364 1.00 0.00 H new ATOM 0 HA SER A 101 -10.302 -1.619 -9.827 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.315 -1.408 -9.627 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.363 0.027 -9.950 1.00 0.00 H new ATOM 0 HG SER A 101 -13.024 -1.046 -11.898 1.00 0.00 H new ATOM 1530 N MET A 102 -11.764 -1.084 -6.931 1.00 0.00 N ATOM 1531 CA MET A 102 -11.645 -0.358 -5.671 1.00 0.00 C ATOM 1532 C MET A 102 -10.284 -0.604 -5.028 1.00 0.00 C ATOM 1533 O MET A 102 -9.606 0.335 -4.609 1.00 0.00 O ATOM 1534 CB MET A 102 -12.759 -0.777 -4.710 1.00 0.00 C ATOM 1535 CG MET A 102 -14.023 0.057 -4.844 1.00 0.00 C ATOM 1536 SD MET A 102 -14.011 1.511 -3.777 1.00 0.00 S ATOM 1537 CE MET A 102 -12.639 2.429 -4.471 1.00 0.00 C ATOM 0 H MET A 102 -12.487 -1.803 -6.937 1.00 0.00 H new ATOM 0 HA MET A 102 -11.739 0.707 -5.884 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.004 -1.824 -4.886 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.392 -0.703 -3.686 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.137 0.373 -5.881 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.888 -0.560 -4.602 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.687 3.465 -4.135 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.700 1.984 -4.142 1.00 0.00 H new ATOM 0 HE3 MET A 102 -12.694 2.398 -5.559 1.00 0.00 H new ATOM 1547 N VAL A 103 -9.890 -1.871 -4.953 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.609 -2.239 -4.361 1.00 0.00 C ATOM 1549 C VAL A 103 -7.447 -1.668 -5.167 1.00 0.00 C ATOM 1550 O VAL A 103 -6.683 -0.841 -4.671 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.453 -3.769 -4.269 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.054 -4.135 -3.797 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.508 -4.357 -3.344 1.00 0.00 C ATOM 0 H VAL A 103 -10.439 -2.660 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.592 -1.818 -3.356 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.598 -4.193 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -6.962 -5.220 -3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.319 -3.746 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.877 -3.702 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.383 -5.439 -3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.397 -3.929 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.501 -4.125 -3.730 1.00 0.00 H new ATOM 1563 N MET A 104 -7.321 -2.115 -6.412 1.00 0.00 N ATOM 1564 CA MET A 104 -6.253 -1.647 -7.287 1.00 0.00 C ATOM 1565 C MET A 104 -6.035 -0.146 -7.124 1.00 0.00 C ATOM 1566 O MET A 104 -4.900 0.330 -7.130 1.00 0.00 O ATOM 1567 CB MET A 104 -6.581 -1.971 -8.746 1.00 0.00 C ATOM 1568 CG MET A 104 -7.720 -1.139 -9.312 1.00 0.00 C ATOM 1569 SD MET A 104 -8.014 -1.463 -11.062 1.00 0.00 S ATOM 1570 CE MET A 104 -7.254 -0.021 -11.805 1.00 0.00 C ATOM 0 H MET A 104 -7.945 -2.801 -6.837 1.00 0.00 H new ATOM 0 HA MET A 104 -5.335 -2.162 -7.006 1.00 0.00 H new ATOM 0 HB2 MET A 104 -5.690 -1.813 -9.354 1.00 0.00 H new ATOM 0 HB3 MET A 104 -6.839 -3.027 -8.826 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.631 -1.347 -8.750 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.495 -0.081 -9.175 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.354 -0.075 -12.889 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.748 0.879 -11.439 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.197 0.011 -11.539 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.129 0.593 -6.979 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.057 2.041 -6.817 1.00 0.00 C ATOM 1582 C TYR A 105 -6.510 2.409 -5.442 1.00 0.00 C ATOM 1583 O TYR A 105 -5.476 3.068 -5.327 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.439 2.666 -7.013 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.408 4.171 -7.158 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -8.007 4.765 -8.349 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.780 4.998 -6.106 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.976 6.139 -8.486 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.753 6.373 -6.235 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.350 6.939 -7.427 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.322 8.308 -7.559 1.00 0.00 O ATOM 0 H TYR A 105 -8.076 0.214 -6.970 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.378 2.433 -7.574 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.902 2.233 -7.900 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.071 2.404 -6.164 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.715 4.142 -9.181 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.096 4.559 -5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.660 6.585 -9.418 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.046 7.002 -5.407 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.616 8.723 -6.722 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.211 1.977 -4.399 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.797 2.259 -3.029 1.00 0.00 C ATOM 1603 C LEU A 106 -5.311 1.971 -2.839 1.00 0.00 C ATOM 1604 O LEU A 106 -4.585 2.768 -2.246 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.620 1.426 -2.045 1.00 0.00 C ATOM 1606 CG LEU A 106 -9.117 1.733 -1.994 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.889 0.537 -1.457 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.381 2.966 -1.143 1.00 0.00 C ATOM 0 H LEU A 106 -8.069 1.430 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.971 3.317 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.494 0.373 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.206 1.567 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.461 1.936 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.953 0.774 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.726 -0.323 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.542 0.302 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.452 3.169 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.021 2.792 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.859 3.822 -1.571 1.00 0.00 H new ATOM 1620 N SER A 107 -4.866 0.827 -3.348 1.00 0.00 N ATOM 1621 CA SER A 107 -3.467 0.432 -3.233 1.00 0.00 C ATOM 1622 C SER A 107 -2.544 1.617 -3.501 1.00 0.00 C ATOM 1623 O SER A 107 -1.568 1.834 -2.783 1.00 0.00 O ATOM 1624 CB SER A 107 -3.153 -0.704 -4.210 1.00 0.00 C ATOM 1625 OG SER A 107 -1.835 -1.189 -4.021 1.00 0.00 O ATOM 0 H SER A 107 -5.454 0.157 -3.844 1.00 0.00 H new ATOM 0 HA SER A 107 -3.297 0.083 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.866 -1.516 -4.070 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.270 -0.350 -5.234 1.00 0.00 H new ATOM 0 HG SER A 107 -1.659 -1.915 -4.656 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.860 2.382 -4.541 1.00 0.00 N ATOM 1632 CA LYS A 108 -2.062 3.547 -4.905 1.00 0.00 C ATOM 1633 C LYS A 108 -1.755 4.400 -3.679 1.00 0.00 C ATOM 1634 O LYS A 108 -0.618 4.829 -3.478 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.797 4.386 -5.953 1.00 0.00 C ATOM 1636 CG LYS A 108 -3.162 3.610 -7.207 1.00 0.00 C ATOM 1637 CD LYS A 108 -3.875 4.491 -8.219 1.00 0.00 C ATOM 1638 CE LYS A 108 -4.188 3.729 -9.498 1.00 0.00 C ATOM 1639 NZ LYS A 108 -4.698 4.629 -10.569 1.00 0.00 N ATOM 0 H LYS A 108 -3.664 2.216 -5.147 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.120 3.195 -5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.706 4.791 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.172 5.235 -6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.259 3.196 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.801 2.768 -6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.800 4.871 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.254 5.356 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.289 3.222 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.929 2.957 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.899 4.072 -11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.570 5.094 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.981 5.350 -10.787 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.774 4.643 -2.861 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.611 5.445 -1.655 1.00 0.00 C ATOM 1655 C PHE A 109 -1.877 4.658 -0.573 1.00 0.00 C ATOM 1656 O PHE A 109 -1.033 5.201 0.140 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.975 5.901 -1.132 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.688 6.844 -2.059 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -4.037 7.952 -2.576 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -6.009 6.622 -2.414 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.689 8.821 -3.430 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.666 7.487 -3.267 1.00 0.00 C ATOM 1663 CZ PHE A 109 -6.006 8.589 -3.775 1.00 0.00 C ATOM 0 H PHE A 109 -3.721 4.296 -3.012 1.00 0.00 H new ATOM 0 HA PHE A 109 -2.015 6.321 -1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.602 5.025 -0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.841 6.387 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.008 8.139 -2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.531 5.763 -2.019 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.169 9.680 -3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.695 7.302 -3.537 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.519 9.268 -4.441 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.205 3.376 -0.457 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.580 2.514 0.539 1.00 0.00 C ATOM 1675 C TYR A 110 -0.060 2.641 0.493 1.00 0.00 C ATOM 1676 O TYR A 110 0.575 2.976 1.491 1.00 0.00 O ATOM 1677 CB TYR A 110 -1.988 1.057 0.312 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.236 0.075 1.181 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.326 0.134 2.566 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.436 -0.911 0.618 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -0.640 -0.761 3.365 1.00 0.00 C ATOM 1682 CE2 TYR A 110 0.252 -1.810 1.408 1.00 0.00 C ATOM 1683 CZ TYR A 110 0.147 -1.732 2.781 1.00 0.00 C ATOM 1684 OH TYR A 110 0.832 -2.625 3.572 1.00 0.00 O ATOM 0 H TYR A 110 -2.900 2.911 -1.041 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.924 2.831 1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.056 0.954 0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.825 0.802 -0.735 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.942 0.892 3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.351 -0.975 -0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.720 -0.701 4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.869 -2.571 0.953 1.00 0.00 H new ATOM 0 HH TYR A 110 1.338 -3.244 3.005 1.00 0.00 H new ATOM 1694 N GLU A 111 0.514 2.371 -0.675 1.00 0.00 N ATOM 1695 CA GLU A 111 1.959 2.455 -0.852 1.00 0.00 C ATOM 1696 C GLU A 111 2.441 3.897 -0.721 1.00 0.00 C ATOM 1697 O GLU A 111 3.402 4.180 -0.004 1.00 0.00 O ATOM 1698 CB GLU A 111 2.361 1.894 -2.218 1.00 0.00 C ATOM 1699 CG GLU A 111 2.069 0.412 -2.377 1.00 0.00 C ATOM 1700 CD GLU A 111 3.168 -0.464 -1.807 1.00 0.00 C ATOM 1701 OE1 GLU A 111 4.322 0.009 -1.728 1.00 0.00 O ATOM 1702 OE2 GLU A 111 2.875 -1.621 -1.439 1.00 0.00 O ATOM 0 H GLU A 111 0.001 2.093 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 111 2.430 1.860 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.834 2.445 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.427 2.064 -2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.127 0.176 -1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.939 0.183 -3.435 1.00 0.00 H new ATOM 1709 N LEU A 112 1.767 4.805 -1.418 1.00 0.00 N ATOM 1710 CA LEU A 112 2.125 6.219 -1.380 1.00 0.00 C ATOM 1711 C LEU A 112 2.330 6.691 0.056 1.00 0.00 C ATOM 1712 O LEU A 112 3.369 7.261 0.391 1.00 0.00 O ATOM 1713 CB LEU A 112 1.039 7.059 -2.054 1.00 0.00 C ATOM 1714 CG LEU A 112 1.104 8.566 -1.805 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.257 9.186 -2.579 1.00 0.00 C ATOM 1716 CD2 LEU A 112 -0.213 9.227 -2.186 1.00 0.00 C ATOM 0 H LEU A 112 0.970 4.588 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 112 3.062 6.345 -1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.089 6.886 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.067 6.697 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 112 1.277 8.732 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.287 10.259 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.195 8.734 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.116 9.010 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.148 10.299 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.416 9.052 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.019 8.804 -1.587 1.00 0.00 H new ATOM 1728 N PHE A 113 1.334 6.448 0.901 1.00 0.00 N ATOM 1729 CA PHE A 113 1.406 6.847 2.302 1.00 0.00 C ATOM 1730 C PHE A 113 2.418 5.992 3.060 1.00 0.00 C ATOM 1731 O PHE A 113 3.207 6.503 3.854 1.00 0.00 O ATOM 1732 CB PHE A 113 0.029 6.729 2.959 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.821 7.957 2.794 1.00 0.00 C ATOM 1734 CD1 PHE A 113 -0.546 9.108 3.514 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.894 7.960 1.917 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -1.326 10.238 3.365 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.678 9.088 1.763 1.00 0.00 C ATOM 1738 CZ PHE A 113 -2.393 10.229 2.487 1.00 0.00 C ATOM 0 H PHE A 113 0.468 5.977 0.640 1.00 0.00 H new ATOM 0 HA PHE A 113 1.733 7.886 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.496 5.874 2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.159 6.527 4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.288 9.122 4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -2.120 7.071 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.102 11.128 3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.512 9.077 1.077 1.00 0.00 H new ATOM 0 HZ PHE A 113 -3.003 11.112 2.367 1.00 0.00 H new ATOM 1748 N ARG A 114 2.388 4.687 2.808 1.00 0.00 N ATOM 1749 CA ARG A 114 3.300 3.761 3.467 1.00 0.00 C ATOM 1750 C ARG A 114 4.726 3.946 2.956 1.00 0.00 C ATOM 1751 O ARG A 114 5.034 3.614 1.812 1.00 0.00 O ATOM 1752 CB ARG A 114 2.848 2.317 3.238 1.00 0.00 C ATOM 1753 CG ARG A 114 3.360 1.345 4.289 1.00 0.00 C ATOM 1754 CD ARG A 114 3.142 -0.099 3.864 1.00 0.00 C ATOM 1755 NE ARG A 114 4.251 -0.606 3.060 1.00 0.00 N ATOM 1756 CZ ARG A 114 5.406 -1.014 3.574 1.00 0.00 C ATOM 1757 NH1 ARG A 114 5.602 -0.975 4.884 1.00 0.00 N ATOM 1758 NH2 ARG A 114 6.367 -1.462 2.776 1.00 0.00 N ATOM 0 H ARG A 114 1.742 4.248 2.152 1.00 0.00 H new ATOM 0 HA ARG A 114 3.285 3.974 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.759 2.284 3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.189 1.990 2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.422 1.519 4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 114 2.850 1.528 5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.021 -0.723 4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.217 -0.173 3.293 1.00 0.00 H new ATOM 0 HE ARG A 114 4.132 -0.649 2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.865 -0.631 5.500 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.490 -1.289 5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.219 -1.493 1.767 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.254 -1.775 3.171 1.00 0.00 H new ATOM 1772 N GLY A 115 5.592 4.479 3.812 1.00 0.00 N ATOM 1773 CA GLY A 115 6.974 4.700 3.429 1.00 0.00 C ATOM 1774 C GLY A 115 7.280 6.163 3.180 1.00 0.00 C ATOM 1775 O GLY A 115 7.637 6.897 4.102 1.00 0.00 O ATOM 0 H GLY A 115 5.361 4.762 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 115 7.630 4.323 4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.194 4.128 2.528 1.00 0.00 H new ATOM 1779 N THR A 116 7.141 6.591 1.928 1.00 0.00 N ATOM 1780 CA THR A 116 7.408 7.975 1.559 1.00 0.00 C ATOM 1781 C THR A 116 6.552 8.402 0.372 1.00 0.00 C ATOM 1782 O THR A 116 6.367 7.657 -0.590 1.00 0.00 O ATOM 1783 CB THR A 116 8.893 8.187 1.210 1.00 0.00 C ATOM 1784 OG1 THR A 116 9.700 7.227 1.900 1.00 0.00 O ATOM 1785 CG2 THR A 116 9.340 9.594 1.579 1.00 0.00 C ATOM 0 H THR A 116 6.845 5.998 1.153 1.00 0.00 H new ATOM 0 HA THR A 116 7.155 8.587 2.425 1.00 0.00 H new ATOM 0 HB THR A 116 9.014 8.056 0.135 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.643 7.367 1.672 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.392 9.720 1.323 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.743 10.321 1.029 1.00 0.00 H new ATOM 0 HG23 THR A 116 9.206 9.749 2.649 1.00 0.00 H new ATOM 1793 N PRO A 117 6.017 9.630 0.439 1.00 0.00 N ATOM 1794 CA PRO A 117 5.173 10.185 -0.623 1.00 0.00 C ATOM 1795 C PRO A 117 5.962 10.491 -1.891 1.00 0.00 C ATOM 1796 O PRO A 117 7.139 10.145 -2.001 1.00 0.00 O ATOM 1797 CB PRO A 117 4.629 11.476 -0.007 1.00 0.00 C ATOM 1798 CG PRO A 117 5.640 11.862 1.017 1.00 0.00 C ATOM 1799 CD PRO A 117 6.196 10.573 1.556 1.00 0.00 C ATOM 0 HA PRO A 117 4.397 9.485 -0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 117 4.511 12.255 -0.760 1.00 0.00 H new ATOM 0 HB3 PRO A 117 3.649 11.317 0.444 1.00 0.00 H new ATOM 0 HG2 PRO A 117 6.428 12.473 0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 117 5.185 12.453 1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 117 7.245 10.673 1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 117 5.661 10.246 2.447 1.00 0.00 H new ATOM 1807 N LEU A 118 5.309 11.142 -2.847 1.00 0.00 N ATOM 1808 CA LEU A 118 5.951 11.496 -4.108 1.00 0.00 C ATOM 1809 C LEU A 118 6.942 10.418 -4.536 1.00 0.00 C ATOM 1810 O LEU A 118 8.081 10.716 -4.896 1.00 0.00 O ATOM 1811 CB LEU A 118 6.667 12.842 -3.979 1.00 0.00 C ATOM 1812 CG LEU A 118 5.774 14.056 -3.722 1.00 0.00 C ATOM 1813 CD1 LEU A 118 6.519 15.104 -2.909 1.00 0.00 C ATOM 1814 CD2 LEU A 118 5.284 14.646 -5.036 1.00 0.00 C ATOM 0 H LEU A 118 4.335 11.436 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 118 5.177 11.576 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.390 12.770 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 118 7.232 13.019 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 118 4.907 13.730 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.868 15.961 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.819 14.677 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.405 15.426 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.650 15.509 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.139 14.957 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 118 4.712 13.895 -5.581 1.00 0.00 H new ATOM 1826 N ARG A 119 6.500 9.166 -4.496 1.00 0.00 N ATOM 1827 CA ARG A 119 7.347 8.044 -4.881 1.00 0.00 C ATOM 1828 C ARG A 119 7.867 8.218 -6.305 1.00 0.00 C ATOM 1829 O ARG A 119 7.206 8.796 -7.167 1.00 0.00 O ATOM 1830 CB ARG A 119 6.573 6.729 -4.766 1.00 0.00 C ATOM 1831 CG ARG A 119 6.551 6.156 -3.359 1.00 0.00 C ATOM 1832 CD ARG A 119 7.912 5.609 -2.958 1.00 0.00 C ATOM 1833 NE ARG A 119 8.233 4.371 -3.663 1.00 0.00 N ATOM 1834 CZ ARG A 119 7.794 3.175 -3.285 1.00 0.00 C ATOM 1835 NH1 ARG A 119 7.020 3.057 -2.215 1.00 0.00 N ATOM 1836 NH2 ARG A 119 8.130 2.095 -3.978 1.00 0.00 N ATOM 0 H ARG A 119 5.560 8.903 -4.201 1.00 0.00 H new ATOM 0 HA ARG A 119 8.200 8.016 -4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.548 6.890 -5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.016 5.996 -5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.247 6.930 -2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 119 5.807 5.362 -3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 119 8.679 6.355 -3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 119 7.928 5.429 -1.883 1.00 0.00 H new ATOM 0 HE ARG A 119 8.826 4.427 -4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 119 6.760 3.885 -1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 119 6.684 2.138 -1.927 1.00 0.00 H new ATOM 0 HH21 ARG A 119 8.726 2.182 -4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 119 7.793 1.177 -3.687 1.00 0.00 H new ATOM 1850 N PRO A 120 9.081 7.707 -6.558 1.00 0.00 N ATOM 1851 CA PRO A 120 9.717 7.794 -7.876 1.00 0.00 C ATOM 1852 C PRO A 120 9.024 6.917 -8.913 1.00 0.00 C ATOM 1853 O PRO A 120 8.923 5.702 -8.745 1.00 0.00 O ATOM 1854 CB PRO A 120 11.140 7.293 -7.617 1.00 0.00 C ATOM 1855 CG PRO A 120 11.019 6.411 -6.423 1.00 0.00 C ATOM 1856 CD PRO A 120 9.927 7.005 -5.578 1.00 0.00 C ATOM 0 HA PRO A 120 9.674 8.804 -8.284 1.00 0.00 H new ATOM 0 HB2 PRO A 120 11.530 6.746 -8.476 1.00 0.00 H new ATOM 0 HB3 PRO A 120 11.823 8.121 -7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 120 10.774 5.390 -6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.959 6.368 -5.873 1.00 0.00 H new ATOM 0 HD2 PRO A 120 9.369 6.236 -5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.326 7.689 -4.829 1.00 0.00 H new ATOM 1864 N VAL A 121 8.547 7.541 -9.986 1.00 0.00 N ATOM 1865 CA VAL A 121 7.865 6.817 -11.051 1.00 0.00 C ATOM 1866 C VAL A 121 8.859 6.274 -12.072 1.00 0.00 C ATOM 1867 O VAL A 121 10.002 6.726 -12.141 1.00 0.00 O ATOM 1868 CB VAL A 121 6.842 7.714 -11.774 1.00 0.00 C ATOM 1869 CG1 VAL A 121 6.175 6.955 -12.911 1.00 0.00 C ATOM 1870 CG2 VAL A 121 5.805 8.238 -10.791 1.00 0.00 C ATOM 0 H VAL A 121 8.621 8.547 -10.140 1.00 0.00 H new ATOM 0 HA VAL A 121 7.340 5.985 -10.581 1.00 0.00 H new ATOM 0 HB VAL A 121 7.370 8.567 -12.200 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.456 7.605 -13.410 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.931 6.634 -13.627 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.659 6.082 -12.512 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.090 8.870 -11.318 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.280 7.399 -10.334 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.301 8.821 -10.015 1.00 0.00 H new TER 1880 VAL A 121