USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 767 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 89 HIS : no HD1:sc= -0.0287 X(o=-0.8,f=-0.98) USER MOD Set 1.2: A 93 SER OG : rot -150:sc= -0.775 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.916 USER MOD Single : A 3 SER OG : rot 24:sc= 0.841 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -159:sc= -0.482 (180deg=-1.55!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.7!) USER MOD Single : A 22 SER OG : rot -52:sc= 1.19 USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0.599 (180deg=0.563) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -2.51! C(o=-2.5!,f=-3.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -8.83! C(o=-8.8!,f=-9.2!) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0633 USER MOD Single : A 51 SER OG : rot -41:sc= 0.762 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.308 USER MOD Single : A 58 HIS : no HD1:sc= -0.866 K(o=-0.87,f=-2.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= -3.26 (180deg=-3.46) USER MOD Single : A 67 TYR OH : rot -103:sc= 0.578 USER MOD Single : A 74 HIS : no HE2:sc= -2.18! C(o=-2.2!,f=-5.5!) USER MOD Single : A 76 ASN : amide:sc= -0.956 K(o=-0.96,f=-0.042) USER MOD Single : A 79 HIS : no HE2:sc= -12.2! C(o=-12!,f=-14!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.662) USER MOD Single : A 86 ASN : amide:sc= -2.82! C(o=-2.8!,f=-9.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.060 33.564 4.577 1.00 0.00 N ATOM 2 CA GLY A 1 -6.864 32.367 4.733 1.00 0.00 C ATOM 3 C GLY A 1 -6.346 31.460 5.833 1.00 0.00 C ATOM 4 O GLY A 1 -5.970 31.929 6.907 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.455 34.150 3.814 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.065 34.104 5.466 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.083 33.298 4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.893 32.650 4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.880 31.818 3.791 1.00 0.00 H new ATOM 8 N SER A 2 -6.329 30.159 5.565 1.00 0.00 N ATOM 9 CA SER A 2 -5.859 29.183 6.542 1.00 0.00 C ATOM 10 C SER A 2 -4.412 28.788 6.262 1.00 0.00 C ATOM 11 O SER A 2 -4.134 28.026 5.335 1.00 0.00 O ATOM 12 CB SER A 2 -6.752 27.942 6.525 1.00 0.00 C ATOM 13 OG SER A 2 -6.696 27.290 5.268 1.00 0.00 O ATOM 0 H SER A 2 -6.635 29.756 4.680 1.00 0.00 H new ATOM 0 HA SER A 2 -5.907 29.642 7.530 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.438 27.254 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.781 28.227 6.745 1.00 0.00 H new ATOM 0 HG SER A 2 -5.768 27.266 4.953 1.00 0.00 H new ATOM 19 N SER A 3 -3.495 29.310 7.069 1.00 0.00 N ATOM 20 CA SER A 3 -2.076 29.015 6.907 1.00 0.00 C ATOM 21 C SER A 3 -1.870 27.575 6.448 1.00 0.00 C ATOM 22 O SER A 3 -2.147 26.631 7.187 1.00 0.00 O ATOM 23 CB SER A 3 -1.330 29.256 8.221 1.00 0.00 C ATOM 24 OG SER A 3 -1.718 28.316 9.207 1.00 0.00 O ATOM 0 H SER A 3 -3.709 29.940 7.842 1.00 0.00 H new ATOM 0 HA SER A 3 -1.676 29.682 6.143 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.256 29.187 8.051 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.532 30.266 8.578 1.00 0.00 H new ATOM 0 HG SER A 3 -2.065 27.509 8.772 1.00 0.00 H new ATOM 30 N GLY A 4 -1.381 27.415 5.222 1.00 0.00 N ATOM 31 CA GLY A 4 -1.145 26.088 4.685 1.00 0.00 C ATOM 32 C GLY A 4 -1.881 25.851 3.381 1.00 0.00 C ATOM 33 O GLY A 4 -1.867 26.700 2.490 1.00 0.00 O ATOM 0 H GLY A 4 -1.144 28.181 4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.076 25.949 4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.458 25.343 5.416 1.00 0.00 H new ATOM 37 N SER A 5 -2.524 24.694 3.268 1.00 0.00 N ATOM 38 CA SER A 5 -3.264 24.345 2.060 1.00 0.00 C ATOM 39 C SER A 5 -4.493 25.236 1.900 1.00 0.00 C ATOM 40 O SER A 5 -5.406 25.206 2.724 1.00 0.00 O ATOM 41 CB SER A 5 -3.688 22.876 2.102 1.00 0.00 C ATOM 42 OG SER A 5 -2.559 22.020 2.132 1.00 0.00 O ATOM 0 H SER A 5 -2.548 23.982 3.998 1.00 0.00 H new ATOM 0 HA SER A 5 -2.608 24.502 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.307 22.698 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.300 22.646 1.230 1.00 0.00 H new ATOM 0 HG SER A 5 -2.857 21.087 2.160 1.00 0.00 H new ATOM 48 N SER A 6 -4.506 26.028 0.833 1.00 0.00 N ATOM 49 CA SER A 6 -5.620 26.931 0.565 1.00 0.00 C ATOM 50 C SER A 6 -6.616 26.294 -0.398 1.00 0.00 C ATOM 51 O SER A 6 -7.800 26.166 -0.089 1.00 0.00 O ATOM 52 CB SER A 6 -5.106 28.251 -0.014 1.00 0.00 C ATOM 53 OG SER A 6 -4.770 29.164 1.017 1.00 0.00 O ATOM 0 H SER A 6 -3.758 26.063 0.140 1.00 0.00 H new ATOM 0 HA SER A 6 -6.129 27.130 1.508 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.231 28.063 -0.636 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.867 28.690 -0.659 1.00 0.00 H new ATOM 0 HG SER A 6 -4.443 29.999 0.621 1.00 0.00 H new ATOM 59 N GLY A 7 -6.127 25.895 -1.568 1.00 0.00 N ATOM 60 CA GLY A 7 -6.987 25.276 -2.560 1.00 0.00 C ATOM 61 C GLY A 7 -7.411 23.875 -2.165 1.00 0.00 C ATOM 62 O GLY A 7 -6.872 23.299 -1.221 1.00 0.00 O ATOM 0 H GLY A 7 -5.150 25.989 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.873 25.894 -2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.465 25.239 -3.516 1.00 0.00 H new ATOM 66 N SER A 8 -8.381 23.326 -2.890 1.00 0.00 N ATOM 67 CA SER A 8 -8.881 21.986 -2.607 1.00 0.00 C ATOM 68 C SER A 8 -7.764 20.954 -2.723 1.00 0.00 C ATOM 69 O SER A 8 -6.937 21.017 -3.632 1.00 0.00 O ATOM 70 CB SER A 8 -10.020 21.631 -3.565 1.00 0.00 C ATOM 71 OG SER A 8 -11.030 22.624 -3.547 1.00 0.00 O ATOM 0 H SER A 8 -8.836 23.789 -3.677 1.00 0.00 H new ATOM 0 HA SER A 8 -9.258 21.974 -1.585 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.628 21.524 -4.577 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.447 20.668 -3.286 1.00 0.00 H new ATOM 0 HG SER A 8 -11.745 22.374 -4.169 1.00 0.00 H new ATOM 77 N ASP A 9 -7.747 20.003 -1.794 1.00 0.00 N ATOM 78 CA ASP A 9 -6.732 18.956 -1.791 1.00 0.00 C ATOM 79 C ASP A 9 -6.942 17.992 -2.955 1.00 0.00 C ATOM 80 O ASP A 9 -8.070 17.774 -3.397 1.00 0.00 O ATOM 81 CB ASP A 9 -6.763 18.190 -0.467 1.00 0.00 C ATOM 82 CG ASP A 9 -6.845 19.113 0.733 1.00 0.00 C ATOM 83 OD1 ASP A 9 -5.781 19.540 1.226 1.00 0.00 O ATOM 84 OD2 ASP A 9 -7.974 19.407 1.180 1.00 0.00 O ATOM 0 H ASP A 9 -8.424 19.936 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.757 19.429 -1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.618 17.514 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.868 17.573 -0.387 1.00 0.00 H new ATOM 89 N ASP A 10 -5.849 17.420 -3.447 1.00 0.00 N ATOM 90 CA ASP A 10 -5.913 16.480 -4.560 1.00 0.00 C ATOM 91 C ASP A 10 -5.563 15.068 -4.100 1.00 0.00 C ATOM 92 O ASP A 10 -4.445 14.597 -4.306 1.00 0.00 O ATOM 93 CB ASP A 10 -4.965 16.915 -5.679 1.00 0.00 C ATOM 94 CG ASP A 10 -5.250 18.323 -6.165 1.00 0.00 C ATOM 95 OD1 ASP A 10 -4.920 19.281 -5.435 1.00 0.00 O ATOM 96 OD2 ASP A 10 -5.803 18.466 -7.275 1.00 0.00 O ATOM 0 H ASP A 10 -4.908 17.591 -3.093 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.934 16.476 -4.941 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.937 16.858 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.052 16.221 -6.515 1.00 0.00 H new ATOM 101 N ALA A 11 -6.526 14.400 -3.475 1.00 0.00 N ATOM 102 CA ALA A 11 -6.320 13.042 -2.986 1.00 0.00 C ATOM 103 C ALA A 11 -6.836 12.014 -3.987 1.00 0.00 C ATOM 104 O ALA A 11 -6.217 10.970 -4.195 1.00 0.00 O ATOM 105 CB ALA A 11 -7.000 12.857 -1.638 1.00 0.00 C ATOM 0 H ALA A 11 -7.457 14.777 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.248 12.885 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.838 11.838 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.581 13.561 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.070 13.039 -1.742 1.00 0.00 H new ATOM 111 N ARG A 12 -7.974 12.315 -4.604 1.00 0.00 N ATOM 112 CA ARG A 12 -8.575 11.416 -5.581 1.00 0.00 C ATOM 113 C ARG A 12 -7.694 11.294 -6.821 1.00 0.00 C ATOM 114 O ARG A 12 -7.459 10.194 -7.322 1.00 0.00 O ATOM 115 CB ARG A 12 -9.966 11.914 -5.978 1.00 0.00 C ATOM 116 CG ARG A 12 -11.012 11.729 -4.890 1.00 0.00 C ATOM 117 CD ARG A 12 -12.359 12.294 -5.312 1.00 0.00 C ATOM 118 NE ARG A 12 -12.487 13.711 -4.980 1.00 0.00 N ATOM 119 CZ ARG A 12 -12.722 14.159 -3.752 1.00 0.00 C ATOM 120 NH1 ARG A 12 -12.853 13.307 -2.745 1.00 0.00 N ATOM 121 NH2 ARG A 12 -12.825 15.463 -3.529 1.00 0.00 N ATOM 0 H ARG A 12 -8.498 13.175 -4.444 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.667 10.431 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.904 12.971 -6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.290 11.386 -6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.117 10.669 -4.661 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.679 12.222 -3.976 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.488 12.160 -6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.156 11.734 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.391 14.393 -5.732 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.773 12.304 -2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.033 13.654 -1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.724 16.122 -4.301 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.006 15.806 -2.586 1.00 0.00 H new ATOM 135 N ARG A 13 -7.210 12.431 -7.311 1.00 0.00 N ATOM 136 CA ARG A 13 -6.357 12.452 -8.493 1.00 0.00 C ATOM 137 C ARG A 13 -5.319 11.335 -8.434 1.00 0.00 C ATOM 138 O ARG A 13 -5.041 10.677 -9.437 1.00 0.00 O ATOM 139 CB ARG A 13 -5.658 13.807 -8.620 1.00 0.00 C ATOM 140 CG ARG A 13 -6.447 14.826 -9.425 1.00 0.00 C ATOM 141 CD ARG A 13 -6.117 16.248 -9.001 1.00 0.00 C ATOM 142 NE ARG A 13 -6.416 17.217 -10.052 1.00 0.00 N ATOM 143 CZ ARG A 13 -5.737 17.299 -11.191 1.00 0.00 C ATOM 144 NH1 ARG A 13 -4.726 16.474 -11.424 1.00 0.00 N ATOM 145 NH2 ARG A 13 -6.070 18.207 -12.099 1.00 0.00 N ATOM 0 H ARG A 13 -7.394 13.350 -6.907 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.987 12.293 -9.368 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.475 14.207 -7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.684 13.662 -9.088 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.228 14.702 -10.486 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.514 14.645 -9.296 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.684 16.499 -8.105 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.061 16.312 -8.739 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.188 17.866 -9.903 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.468 15.774 -10.728 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.206 16.539 -12.299 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.848 18.843 -11.923 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.548 18.269 -12.973 1.00 0.00 H new ATOM 159 N LEU A 14 -4.747 11.128 -7.252 1.00 0.00 N ATOM 160 CA LEU A 14 -3.739 10.092 -7.061 1.00 0.00 C ATOM 161 C LEU A 14 -4.218 8.756 -7.621 1.00 0.00 C ATOM 162 O LEU A 14 -5.393 8.407 -7.505 1.00 0.00 O ATOM 163 CB LEU A 14 -3.404 9.945 -5.576 1.00 0.00 C ATOM 164 CG LEU A 14 -2.399 10.950 -5.012 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.057 12.305 -4.806 1.00 0.00 C ATOM 166 CD2 LEU A 14 -1.808 10.438 -3.706 1.00 0.00 C ATOM 0 H LEU A 14 -4.965 11.664 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.841 10.390 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.329 10.027 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.015 8.940 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.590 11.068 -5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.326 13.007 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.431 12.677 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.886 12.204 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.095 11.166 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.606 10.290 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.299 9.491 -3.884 1.00 0.00 H new ATOM 178 N THR A 15 -3.299 8.010 -8.227 1.00 0.00 N ATOM 179 CA THR A 15 -3.627 6.712 -8.803 1.00 0.00 C ATOM 180 C THR A 15 -2.715 5.621 -8.254 1.00 0.00 C ATOM 181 O THR A 15 -1.542 5.863 -7.970 1.00 0.00 O ATOM 182 CB THR A 15 -3.515 6.735 -10.339 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.044 7.963 -10.850 1.00 0.00 O ATOM 184 CG2 THR A 15 -4.263 5.561 -10.953 1.00 0.00 C ATOM 0 H THR A 15 -2.322 8.283 -8.331 1.00 0.00 H new ATOM 0 HA THR A 15 -4.658 6.494 -8.525 1.00 0.00 H new ATOM 0 HB THR A 15 -2.461 6.655 -10.606 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.968 7.971 -11.827 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.170 5.598 -12.038 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.840 4.627 -10.584 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.316 5.616 -10.677 1.00 0.00 H new ATOM 192 N VAL A 16 -3.261 4.417 -8.108 1.00 0.00 N ATOM 193 CA VAL A 16 -2.495 3.288 -7.595 1.00 0.00 C ATOM 194 C VAL A 16 -2.111 2.329 -8.717 1.00 0.00 C ATOM 195 O VAL A 16 -2.923 2.022 -9.590 1.00 0.00 O ATOM 196 CB VAL A 16 -3.286 2.515 -6.523 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.492 1.310 -6.039 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.642 3.430 -5.361 1.00 0.00 C ATOM 0 H VAL A 16 -4.231 4.199 -8.338 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.590 3.697 -7.145 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.213 2.154 -6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.066 0.776 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.292 0.645 -6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.548 1.645 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.201 2.868 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.729 3.822 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.252 4.257 -5.723 1.00 0.00 H new ATOM 208 N MET A 17 -0.868 1.860 -8.687 1.00 0.00 N ATOM 209 CA MET A 17 -0.377 0.934 -9.701 1.00 0.00 C ATOM 210 C MET A 17 0.197 -0.324 -9.057 1.00 0.00 C ATOM 211 O MET A 17 0.262 -0.431 -7.832 1.00 0.00 O ATOM 212 CB MET A 17 0.689 1.610 -10.565 1.00 0.00 C ATOM 213 CG MET A 17 0.129 2.658 -11.513 1.00 0.00 C ATOM 214 SD MET A 17 1.153 2.888 -12.979 1.00 0.00 S ATOM 215 CE MET A 17 2.781 2.551 -12.311 1.00 0.00 C ATOM 0 H MET A 17 -0.183 2.106 -7.972 1.00 0.00 H new ATOM 0 HA MET A 17 -1.218 0.646 -10.332 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.428 2.078 -9.915 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.211 0.849 -11.145 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.876 2.366 -11.819 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.038 3.608 -10.986 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.538 2.998 -12.955 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.859 2.976 -11.310 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.938 1.474 -12.261 1.00 0.00 H new ATOM 225 N SER A 18 0.611 -1.274 -9.889 1.00 0.00 N ATOM 226 CA SER A 18 1.175 -2.526 -9.400 1.00 0.00 C ATOM 227 C SER A 18 0.403 -3.032 -8.185 1.00 0.00 C ATOM 228 O SER A 18 0.986 -3.583 -7.250 1.00 0.00 O ATOM 229 CB SER A 18 2.650 -2.340 -9.040 1.00 0.00 C ATOM 230 OG SER A 18 3.475 -2.467 -10.186 1.00 0.00 O ATOM 0 H SER A 18 0.566 -1.200 -10.905 1.00 0.00 H new ATOM 0 HA SER A 18 1.093 -3.267 -10.195 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.797 -1.358 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.942 -3.080 -8.294 1.00 0.00 H new ATOM 0 HG SER A 18 4.413 -2.342 -9.930 1.00 0.00 H new ATOM 236 N LEU A 19 -0.911 -2.840 -8.205 1.00 0.00 N ATOM 237 CA LEU A 19 -1.765 -3.275 -7.105 1.00 0.00 C ATOM 238 C LEU A 19 -2.595 -4.489 -7.509 1.00 0.00 C ATOM 239 O LEU A 19 -3.322 -4.453 -8.501 1.00 0.00 O ATOM 240 CB LEU A 19 -2.686 -2.136 -6.666 1.00 0.00 C ATOM 241 CG LEU A 19 -3.323 -2.282 -5.284 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.382 -1.768 -4.205 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.653 -1.546 -5.229 1.00 0.00 C ATOM 0 H LEU A 19 -1.409 -2.386 -8.971 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.124 -3.557 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.116 -1.207 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.483 -2.036 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.509 -3.340 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.853 -1.880 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.454 -2.340 -4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.164 -0.715 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.092 -1.661 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.492 -0.488 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.330 -1.961 -5.976 1.00 0.00 H new ATOM 255 N GLN A 20 -2.484 -5.561 -6.731 1.00 0.00 N ATOM 256 CA GLN A 20 -3.226 -6.785 -7.007 1.00 0.00 C ATOM 257 C GLN A 20 -4.200 -7.099 -5.876 1.00 0.00 C ATOM 258 O GLN A 20 -4.094 -6.544 -4.783 1.00 0.00 O ATOM 259 CB GLN A 20 -2.263 -7.957 -7.207 1.00 0.00 C ATOM 260 CG GLN A 20 -1.384 -8.235 -5.998 1.00 0.00 C ATOM 261 CD GLN A 20 -0.131 -9.009 -6.353 1.00 0.00 C ATOM 262 OE1 GLN A 20 -0.123 -9.803 -7.295 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.939 -8.782 -5.600 1.00 0.00 N ATOM 0 H GLN A 20 -1.887 -5.606 -5.905 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.798 -6.634 -7.922 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.838 -8.853 -7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.627 -7.751 -8.068 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.103 -7.290 -5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.956 -8.796 -5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.888 -8.116 -4.829 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.812 -9.274 -5.792 1.00 0.00 H new ATOM 272 N GLU A 21 -5.148 -7.991 -6.147 1.00 0.00 N ATOM 273 CA GLU A 21 -6.140 -8.376 -5.151 1.00 0.00 C ATOM 274 C GLU A 21 -6.115 -9.883 -4.912 1.00 0.00 C ATOM 275 O GLU A 21 -6.437 -10.355 -3.822 1.00 0.00 O ATOM 276 CB GLU A 21 -7.538 -7.943 -5.598 1.00 0.00 C ATOM 277 CG GLU A 21 -7.815 -6.465 -5.386 1.00 0.00 C ATOM 278 CD GLU A 21 -9.156 -6.035 -5.948 1.00 0.00 C ATOM 279 OE1 GLU A 21 -10.177 -6.656 -5.588 1.00 0.00 O ATOM 280 OE2 GLU A 21 -9.183 -5.077 -6.749 1.00 0.00 O ATOM 0 H GLU A 21 -5.249 -8.460 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.893 -7.873 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.661 -8.179 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.281 -8.525 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.785 -6.243 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.024 -5.880 -5.856 1.00 0.00 H new ATOM 287 N SER A 22 -5.730 -10.633 -5.940 1.00 0.00 N ATOM 288 CA SER A 22 -5.666 -12.087 -5.844 1.00 0.00 C ATOM 289 C SER A 22 -4.279 -12.596 -6.226 1.00 0.00 C ATOM 290 O SER A 22 -4.137 -13.681 -6.788 1.00 0.00 O ATOM 291 CB SER A 22 -6.723 -12.725 -6.748 1.00 0.00 C ATOM 292 OG SER A 22 -6.656 -14.139 -6.689 1.00 0.00 O ATOM 0 H SER A 22 -5.458 -10.258 -6.849 1.00 0.00 H new ATOM 0 HA SER A 22 -5.865 -12.368 -4.810 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.715 -12.392 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.576 -12.393 -7.776 1.00 0.00 H new ATOM 0 HG SER A 22 -5.738 -14.431 -6.867 1.00 0.00 H new ATOM 298 N GLY A 23 -3.258 -11.802 -5.916 1.00 0.00 N ATOM 299 CA GLY A 23 -1.896 -12.189 -6.233 1.00 0.00 C ATOM 300 C GLY A 23 -0.967 -12.068 -5.041 1.00 0.00 C ATOM 301 O GLY A 23 0.150 -12.589 -5.060 1.00 0.00 O ATOM 0 H GLY A 23 -3.350 -10.899 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.888 -13.218 -6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.524 -11.564 -7.045 1.00 0.00 H new ATOM 305 N LEU A 24 -1.426 -11.380 -4.002 1.00 0.00 N ATOM 306 CA LEU A 24 -0.627 -11.191 -2.796 1.00 0.00 C ATOM 307 C LEU A 24 -0.107 -12.526 -2.273 1.00 0.00 C ATOM 308 O LEU A 24 -0.643 -13.585 -2.601 1.00 0.00 O ATOM 309 CB LEU A 24 -1.456 -10.495 -1.716 1.00 0.00 C ATOM 310 CG LEU A 24 -1.780 -9.021 -1.964 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.001 -8.294 -0.647 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.667 -8.357 -2.762 1.00 0.00 C ATOM 0 H LEU A 24 -2.347 -10.944 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 24 0.228 -10.564 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.394 -11.038 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.922 -10.575 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.700 -8.964 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.230 -7.247 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.833 -8.754 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.099 -8.360 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.915 -7.309 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.269 -8.425 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.557 -8.861 -3.722 1.00 0.00 H new ATOM 324 N LYS A 25 0.939 -12.469 -1.456 1.00 0.00 N ATOM 325 CA LYS A 25 1.530 -13.672 -0.883 1.00 0.00 C ATOM 326 C LYS A 25 1.672 -13.541 0.630 1.00 0.00 C ATOM 327 O LYS A 25 2.153 -12.526 1.133 1.00 0.00 O ATOM 328 CB LYS A 25 2.898 -13.943 -1.513 1.00 0.00 C ATOM 329 CG LYS A 25 2.819 -14.460 -2.939 1.00 0.00 C ATOM 330 CD LYS A 25 2.832 -13.322 -3.946 1.00 0.00 C ATOM 331 CE LYS A 25 2.738 -13.840 -5.373 1.00 0.00 C ATOM 332 NZ LYS A 25 2.597 -12.731 -6.357 1.00 0.00 N ATOM 0 H LYS A 25 1.395 -11.601 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 25 0.866 -14.510 -1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.483 -13.023 -1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.433 -14.669 -0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.659 -15.128 -3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.909 -15.048 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.998 -12.649 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.747 -12.741 -3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.629 -14.423 -5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.885 -14.513 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.706 -13.106 -7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.657 -12.297 -6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.330 -12.014 -6.180 1.00 0.00 H new ATOM 346 N VAL A 26 1.253 -14.576 1.352 1.00 0.00 N ATOM 347 CA VAL A 26 1.336 -14.578 2.807 1.00 0.00 C ATOM 348 C VAL A 26 2.787 -14.620 3.274 1.00 0.00 C ATOM 349 O VAL A 26 3.638 -15.234 2.633 1.00 0.00 O ATOM 350 CB VAL A 26 0.578 -15.775 3.412 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.915 -15.649 3.150 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.117 -17.083 2.853 1.00 0.00 C ATOM 0 H VAL A 26 0.852 -15.424 0.952 1.00 0.00 H new ATOM 0 HA VAL A 26 0.873 -13.654 3.152 1.00 0.00 H new ATOM 0 HB VAL A 26 0.734 -15.775 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.434 -16.503 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.287 -14.730 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.095 -15.623 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.571 -17.918 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.992 -17.095 1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.175 -17.174 3.097 1.00 0.00 H new ATOM 362 N ASN A 27 3.061 -13.964 4.397 1.00 0.00 N ATOM 363 CA ASN A 27 4.409 -13.927 4.951 1.00 0.00 C ATOM 364 C ASN A 27 5.427 -13.545 3.881 1.00 0.00 C ATOM 365 O ASN A 27 6.605 -13.885 3.982 1.00 0.00 O ATOM 366 CB ASN A 27 4.772 -15.285 5.556 1.00 0.00 C ATOM 367 CG ASN A 27 3.844 -15.681 6.688 1.00 0.00 C ATOM 368 OD1 ASN A 27 4.011 -15.240 7.825 1.00 0.00 O ATOM 369 ND2 ASN A 27 2.860 -16.517 6.380 1.00 0.00 N ATOM 0 H ASN A 27 2.367 -13.451 4.941 1.00 0.00 H new ATOM 0 HA ASN A 27 4.432 -13.170 5.735 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.737 -16.047 4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.797 -15.253 5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.204 -16.819 7.100 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.760 -16.857 5.423 1.00 0.00 H new ATOM 376 N GLN A 28 4.963 -12.837 2.856 1.00 0.00 N ATOM 377 CA GLN A 28 5.833 -12.409 1.767 1.00 0.00 C ATOM 378 C GLN A 28 5.810 -10.892 1.616 1.00 0.00 C ATOM 379 O GLN A 28 4.761 -10.252 1.686 1.00 0.00 O ATOM 380 CB GLN A 28 5.405 -13.070 0.456 1.00 0.00 C ATOM 381 CG GLN A 28 6.079 -12.478 -0.772 1.00 0.00 C ATOM 382 CD GLN A 28 7.385 -13.169 -1.111 1.00 0.00 C ATOM 383 OE1 GLN A 28 7.948 -13.895 -0.291 1.00 0.00 O ATOM 384 NE2 GLN A 28 7.875 -12.947 -2.325 1.00 0.00 N ATOM 0 H GLN A 28 3.990 -12.548 2.757 1.00 0.00 H new ATOM 0 HA GLN A 28 6.851 -12.716 2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.630 -14.135 0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.324 -12.977 0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.402 -12.550 -1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.267 -11.418 -0.603 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.375 -12.338 -2.973 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.751 -13.385 -2.609 1.00 0.00 H new ATOM 393 N PRO A 29 6.995 -10.300 1.405 1.00 0.00 N ATOM 394 CA PRO A 29 7.138 -8.850 1.239 1.00 0.00 C ATOM 395 C PRO A 29 6.546 -8.356 -0.076 1.00 0.00 C ATOM 396 O PRO A 29 6.982 -8.758 -1.154 1.00 0.00 O ATOM 397 CB PRO A 29 8.654 -8.639 1.256 1.00 0.00 C ATOM 398 CG PRO A 29 9.223 -9.939 0.801 1.00 0.00 C ATOM 399 CD PRO A 29 8.287 -11.001 1.310 1.00 0.00 C ATOM 0 HA PRO A 29 6.608 -8.297 2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.948 -7.825 0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.006 -8.380 2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.298 -9.973 -0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.229 -10.084 1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.234 -11.850 0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.606 -11.388 2.278 1.00 0.00 H new ATOM 407 N ALA A 30 5.549 -7.482 0.021 1.00 0.00 N ATOM 408 CA ALA A 30 4.899 -6.931 -1.162 1.00 0.00 C ATOM 409 C ALA A 30 4.817 -5.410 -1.084 1.00 0.00 C ATOM 410 O ALA A 30 4.652 -4.842 -0.005 1.00 0.00 O ATOM 411 CB ALA A 30 3.510 -7.529 -1.327 1.00 0.00 C ATOM 0 H ALA A 30 5.174 -7.141 0.906 1.00 0.00 H new ATOM 0 HA ALA A 30 5.501 -7.192 -2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.036 -7.109 -2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.590 -8.611 -1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.907 -7.297 -0.449 1.00 0.00 H new ATOM 417 N SER A 31 4.933 -4.756 -2.236 1.00 0.00 N ATOM 418 CA SER A 31 4.875 -3.300 -2.297 1.00 0.00 C ATOM 419 C SER A 31 4.236 -2.836 -3.603 1.00 0.00 C ATOM 420 O SER A 31 4.181 -3.583 -4.580 1.00 0.00 O ATOM 421 CB SER A 31 6.280 -2.708 -2.165 1.00 0.00 C ATOM 422 OG SER A 31 7.083 -3.045 -3.282 1.00 0.00 O ATOM 0 H SER A 31 5.068 -5.211 -3.139 1.00 0.00 H new ATOM 0 HA SER A 31 4.261 -2.950 -1.468 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.214 -1.624 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.749 -3.076 -1.252 1.00 0.00 H new ATOM 0 HG SER A 31 7.975 -2.653 -3.174 1.00 0.00 H new ATOM 428 N PHE A 32 3.754 -1.598 -3.611 1.00 0.00 N ATOM 429 CA PHE A 32 3.118 -1.033 -4.795 1.00 0.00 C ATOM 430 C PHE A 32 3.612 0.387 -5.053 1.00 0.00 C ATOM 431 O PHE A 32 4.243 1.002 -4.194 1.00 0.00 O ATOM 432 CB PHE A 32 1.596 -1.034 -4.631 1.00 0.00 C ATOM 433 CG PHE A 32 1.132 -0.412 -3.345 1.00 0.00 C ATOM 434 CD1 PHE A 32 1.017 0.964 -3.227 1.00 0.00 C ATOM 435 CD2 PHE A 32 0.810 -1.203 -2.254 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.590 1.539 -2.045 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.381 -0.633 -1.070 1.00 0.00 C ATOM 438 CZ PHE A 32 0.272 0.739 -0.965 1.00 0.00 C ATOM 0 H PHE A 32 3.792 -0.967 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 32 3.385 -1.652 -5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.148 -0.497 -5.467 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.234 -2.061 -4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.264 1.594 -4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.895 -2.277 -2.329 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.505 2.613 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.131 -1.261 -0.227 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.061 1.186 -0.040 1.00 0.00 H new ATOM 448 N ALA A 33 3.321 0.901 -6.244 1.00 0.00 N ATOM 449 CA ALA A 33 3.734 2.248 -6.616 1.00 0.00 C ATOM 450 C ALA A 33 2.541 3.196 -6.659 1.00 0.00 C ATOM 451 O ALA A 33 1.461 2.829 -7.123 1.00 0.00 O ATOM 452 CB ALA A 33 4.445 2.230 -7.961 1.00 0.00 C ATOM 0 H ALA A 33 2.801 0.404 -6.967 1.00 0.00 H new ATOM 0 HA ALA A 33 4.426 2.611 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.748 3.243 -8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.327 1.592 -7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.770 1.842 -8.724 1.00 0.00 H new ATOM 458 N ILE A 34 2.742 4.416 -6.173 1.00 0.00 N ATOM 459 CA ILE A 34 1.682 5.417 -6.157 1.00 0.00 C ATOM 460 C ILE A 34 1.968 6.537 -7.151 1.00 0.00 C ATOM 461 O ILE A 34 2.953 7.263 -7.018 1.00 0.00 O ATOM 462 CB ILE A 34 1.503 6.025 -4.754 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.303 4.918 -3.716 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.327 6.990 -4.741 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.590 5.360 -2.298 1.00 0.00 C ATOM 0 H ILE A 34 3.629 4.736 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 34 0.762 4.907 -6.443 1.00 0.00 H new ATOM 0 HB ILE A 34 2.405 6.579 -4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.276 4.557 -3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.951 4.077 -3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.213 7.412 -3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.507 7.793 -5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.584 6.458 -5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.428 4.525 -1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.625 5.693 -2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.924 6.181 -2.031 1.00 0.00 H new ATOM 477 N ARG A 35 1.099 6.672 -8.148 1.00 0.00 N ATOM 478 CA ARG A 35 1.257 7.704 -9.165 1.00 0.00 C ATOM 479 C ARG A 35 0.682 9.034 -8.685 1.00 0.00 C ATOM 480 O ARG A 35 -0.406 9.080 -8.110 1.00 0.00 O ATOM 481 CB ARG A 35 0.572 7.279 -10.465 1.00 0.00 C ATOM 482 CG ARG A 35 0.124 8.448 -11.328 1.00 0.00 C ATOM 483 CD ARG A 35 0.105 8.076 -12.802 1.00 0.00 C ATOM 484 NE ARG A 35 0.073 9.255 -13.663 1.00 0.00 N ATOM 485 CZ ARG A 35 0.184 9.202 -14.986 1.00 0.00 C ATOM 486 NH1 ARG A 35 0.332 8.035 -15.596 1.00 0.00 N ATOM 487 NH2 ARG A 35 0.146 10.319 -15.701 1.00 0.00 N ATOM 0 H ARG A 35 0.278 6.079 -8.273 1.00 0.00 H new ATOM 0 HA ARG A 35 2.323 7.835 -9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.257 6.656 -11.040 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.294 6.663 -10.225 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.871 8.769 -11.020 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.794 9.294 -11.174 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.986 7.479 -13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.766 7.453 -13.008 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.041 10.169 -13.225 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.361 7.174 -15.050 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.417 7.998 -16.612 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.032 11.219 -15.235 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.231 10.278 -16.717 1.00 0.00 H new ATOM 501 N LEU A 36 1.420 10.112 -8.924 1.00 0.00 N ATOM 502 CA LEU A 36 0.984 11.443 -8.516 1.00 0.00 C ATOM 503 C LEU A 36 0.776 12.344 -9.729 1.00 0.00 C ATOM 504 O LEU A 36 1.719 12.643 -10.461 1.00 0.00 O ATOM 505 CB LEU A 36 2.010 12.070 -7.570 1.00 0.00 C ATOM 506 CG LEU A 36 2.390 11.237 -6.345 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.589 11.848 -5.636 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.209 11.118 -5.394 1.00 0.00 C ATOM 0 H LEU A 36 2.323 10.091 -9.398 1.00 0.00 H new ATOM 0 HA LEU A 36 0.032 11.342 -7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.917 12.280 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.620 13.028 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 36 2.663 10.236 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.845 11.242 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.438 11.880 -6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.344 12.860 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.498 10.522 -4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.905 12.112 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.377 10.635 -5.906 1.00 0.00 H new ATOM 520 N ASN A 37 -0.464 12.776 -9.934 1.00 0.00 N ATOM 521 CA ASN A 37 -0.795 13.644 -11.058 1.00 0.00 C ATOM 522 C ASN A 37 -0.552 15.108 -10.704 1.00 0.00 C ATOM 523 O ASN A 37 -1.145 16.008 -11.297 1.00 0.00 O ATOM 524 CB ASN A 37 -2.254 13.443 -11.472 1.00 0.00 C ATOM 525 CG ASN A 37 -2.478 12.119 -12.176 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.488 12.050 -13.405 1.00 0.00 O ATOM 527 ND2 ASN A 37 -2.659 11.058 -11.397 1.00 0.00 N ATOM 0 H ASN A 37 -1.256 12.539 -9.336 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.148 13.378 -11.894 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.890 13.494 -10.588 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.558 14.257 -12.130 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.814 10.140 -11.814 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.643 11.162 -10.382 1.00 0.00 H new ATOM 534 N GLY A 38 0.325 15.339 -9.731 1.00 0.00 N ATOM 535 CA GLY A 38 0.631 16.695 -9.315 1.00 0.00 C ATOM 536 C GLY A 38 -0.029 17.061 -8.000 1.00 0.00 C ATOM 537 O GLY A 38 -0.410 18.211 -7.788 1.00 0.00 O ATOM 0 H GLY A 38 0.829 14.611 -9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.711 16.808 -9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.305 17.391 -10.088 1.00 0.00 H new ATOM 541 N ALA A 39 -0.167 16.078 -7.115 1.00 0.00 N ATOM 542 CA ALA A 39 -0.786 16.303 -5.815 1.00 0.00 C ATOM 543 C ALA A 39 0.262 16.345 -4.708 1.00 0.00 C ATOM 544 O ALA A 39 0.991 15.376 -4.492 1.00 0.00 O ATOM 545 CB ALA A 39 -1.817 15.222 -5.527 1.00 0.00 C ATOM 0 H ALA A 39 0.142 15.119 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.288 17.270 -5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.271 15.403 -4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.589 15.241 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.331 14.247 -5.525 1.00 0.00 H new ATOM 551 N LYS A 40 0.333 17.472 -4.009 1.00 0.00 N ATOM 552 CA LYS A 40 1.292 17.641 -2.924 1.00 0.00 C ATOM 553 C LYS A 40 0.576 17.822 -1.589 1.00 0.00 C ATOM 554 O LYS A 40 -0.517 18.383 -1.531 1.00 0.00 O ATOM 555 CB LYS A 40 2.197 18.845 -3.197 1.00 0.00 C ATOM 556 CG LYS A 40 1.493 20.182 -3.044 1.00 0.00 C ATOM 557 CD LYS A 40 2.481 21.336 -3.049 1.00 0.00 C ATOM 558 CE LYS A 40 2.995 21.635 -1.649 1.00 0.00 C ATOM 559 NZ LYS A 40 4.017 22.719 -1.654 1.00 0.00 N ATOM 0 H LYS A 40 -0.263 18.283 -4.175 1.00 0.00 H new ATOM 0 HA LYS A 40 1.904 16.740 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.047 18.812 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.596 18.767 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.776 20.312 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.926 20.191 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.320 21.095 -3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.002 22.225 -3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.161 21.925 -1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.426 20.731 -1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.343 22.894 -0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.824 22.432 -2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.598 23.589 -2.040 1.00 0.00 H new ATOM 573 N GLY A 41 1.202 17.344 -0.517 1.00 0.00 N ATOM 574 CA GLY A 41 0.610 17.465 0.803 1.00 0.00 C ATOM 575 C GLY A 41 1.264 16.549 1.818 1.00 0.00 C ATOM 576 O GLY A 41 2.373 16.815 2.281 1.00 0.00 O ATOM 0 H GLY A 41 2.108 16.876 -0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.694 18.497 1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.454 17.235 0.743 1.00 0.00 H new ATOM 580 N LYS A 42 0.576 15.467 2.166 1.00 0.00 N ATOM 581 CA LYS A 42 1.096 14.508 3.133 1.00 0.00 C ATOM 582 C LYS A 42 0.607 13.098 2.817 1.00 0.00 C ATOM 583 O LYS A 42 -0.574 12.789 2.980 1.00 0.00 O ATOM 584 CB LYS A 42 0.671 14.901 4.550 1.00 0.00 C ATOM 585 CG LYS A 42 1.575 14.337 5.634 1.00 0.00 C ATOM 586 CD LYS A 42 2.968 14.941 5.568 1.00 0.00 C ATOM 587 CE LYS A 42 3.733 14.719 6.863 1.00 0.00 C ATOM 588 NZ LYS A 42 3.317 15.677 7.924 1.00 0.00 N ATOM 0 H LYS A 42 -0.344 15.232 1.792 1.00 0.00 H new ATOM 0 HA LYS A 42 2.184 14.519 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.658 15.988 4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.349 14.557 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.138 14.534 6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.641 13.254 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.519 14.498 4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.893 16.010 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.570 13.699 7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.802 14.825 6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.861 15.493 8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.496 16.650 7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.303 15.558 8.121 1.00 0.00 H new ATOM 602 N ILE A 43 1.523 12.247 2.367 1.00 0.00 N ATOM 603 CA ILE A 43 1.184 10.869 2.032 1.00 0.00 C ATOM 604 C ILE A 43 1.282 9.965 3.256 1.00 0.00 C ATOM 605 O ILE A 43 2.344 9.841 3.866 1.00 0.00 O ATOM 606 CB ILE A 43 2.104 10.317 0.926 1.00 0.00 C ATOM 607 CG1 ILE A 43 2.047 11.217 -0.310 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.707 8.892 0.570 1.00 0.00 C ATOM 609 CD1 ILE A 43 3.095 10.883 -1.349 1.00 0.00 C ATOM 0 H ILE A 43 2.504 12.487 2.226 1.00 0.00 H new ATOM 0 HA ILE A 43 0.156 10.876 1.670 1.00 0.00 H new ATOM 0 HB ILE A 43 3.129 10.306 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.059 11.136 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.172 12.255 -0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.366 8.515 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.794 8.259 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.677 8.879 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.996 11.561 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.088 10.992 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.958 9.856 -1.687 1.00 0.00 H new ATOM 621 N ASP A 44 0.167 9.335 3.609 1.00 0.00 N ATOM 622 CA ASP A 44 0.126 8.440 4.760 1.00 0.00 C ATOM 623 C ASP A 44 -0.539 7.117 4.395 1.00 0.00 C ATOM 624 O ASP A 44 -1.748 7.059 4.171 1.00 0.00 O ATOM 625 CB ASP A 44 -0.622 9.098 5.920 1.00 0.00 C ATOM 626 CG ASP A 44 0.272 10.001 6.747 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.599 11.109 6.273 1.00 0.00 O ATOM 628 OD2 ASP A 44 0.646 9.599 7.869 1.00 0.00 O ATOM 0 H ASP A 44 -0.720 9.427 3.115 1.00 0.00 H new ATOM 0 HA ASP A 44 1.152 8.238 5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.457 9.679 5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.045 8.325 6.561 1.00 0.00 H new ATOM 633 N ALA A 45 0.258 6.055 4.336 1.00 0.00 N ATOM 634 CA ALA A 45 -0.253 4.733 3.999 1.00 0.00 C ATOM 635 C ALA A 45 -0.152 3.785 5.190 1.00 0.00 C ATOM 636 O ALA A 45 0.923 3.603 5.762 1.00 0.00 O ATOM 637 CB ALA A 45 0.498 4.164 2.805 1.00 0.00 C ATOM 0 H ALA A 45 1.261 6.085 4.518 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.306 4.835 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.105 3.176 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.370 4.824 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.558 4.084 3.046 1.00 0.00 H new ATOM 643 N LYS A 46 -1.278 3.184 5.559 1.00 0.00 N ATOM 644 CA LYS A 46 -1.317 2.255 6.682 1.00 0.00 C ATOM 645 C LYS A 46 -2.238 1.077 6.381 1.00 0.00 C ATOM 646 O LYS A 46 -3.235 1.220 5.674 1.00 0.00 O ATOM 647 CB LYS A 46 -1.787 2.972 7.949 1.00 0.00 C ATOM 648 CG LYS A 46 -0.693 3.769 8.638 1.00 0.00 C ATOM 649 CD LYS A 46 -1.021 4.018 10.101 1.00 0.00 C ATOM 650 CE LYS A 46 -0.201 5.166 10.669 1.00 0.00 C ATOM 651 NZ LYS A 46 -0.822 5.737 11.896 1.00 0.00 N ATOM 0 H LYS A 46 -2.176 3.324 5.096 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.308 1.874 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.608 3.643 7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.183 2.235 8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.252 3.232 8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.559 4.722 8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.083 4.242 10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.829 3.113 10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.804 4.814 10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.100 5.947 9.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.233 6.517 12.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.772 6.096 11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.896 4.998 12.624 1.00 0.00 H new ATOM 665 N VAL A 47 -1.898 -0.088 6.924 1.00 0.00 N ATOM 666 CA VAL A 47 -2.696 -1.291 6.716 1.00 0.00 C ATOM 667 C VAL A 47 -3.574 -1.584 7.927 1.00 0.00 C ATOM 668 O VAL A 47 -3.158 -1.391 9.070 1.00 0.00 O ATOM 669 CB VAL A 47 -1.804 -2.514 6.433 1.00 0.00 C ATOM 670 CG1 VAL A 47 -1.035 -2.915 7.683 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.641 -3.675 5.917 1.00 0.00 C ATOM 0 H VAL A 47 -1.075 -0.224 7.511 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.330 -1.105 5.849 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.082 -2.245 5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.410 -3.781 7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.405 -2.085 8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.738 -3.166 8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.995 -4.531 5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.387 -3.946 6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.142 -3.381 4.995 1.00 0.00 H new ATOM 681 N HIS A 48 -4.791 -2.054 7.670 1.00 0.00 N ATOM 682 CA HIS A 48 -5.728 -2.376 8.740 1.00 0.00 C ATOM 683 C HIS A 48 -5.904 -3.886 8.872 1.00 0.00 C ATOM 684 O HIS A 48 -5.921 -4.608 7.875 1.00 0.00 O ATOM 685 CB HIS A 48 -7.081 -1.714 8.478 1.00 0.00 C ATOM 686 CG HIS A 48 -7.090 -0.241 8.748 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.700 0.319 9.851 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.556 0.790 8.052 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.543 1.630 9.820 1.00 0.00 C ATOM 690 NE2 HIS A 48 -6.852 1.942 8.738 1.00 0.00 N ATOM 0 H HIS A 48 -5.151 -2.220 6.730 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.319 -1.993 9.675 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.365 -1.886 7.440 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.837 -2.194 9.100 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -8.195 -0.199 10.577 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.000 0.720 7.129 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.916 2.328 10.554 1.00 0.00 H new ATOM 698 N SER A 49 -6.034 -4.356 10.108 1.00 0.00 N ATOM 699 CA SER A 49 -6.203 -5.780 10.371 1.00 0.00 C ATOM 700 C SER A 49 -7.597 -6.068 10.922 1.00 0.00 C ATOM 701 O SER A 49 -8.247 -5.209 11.518 1.00 0.00 O ATOM 702 CB SER A 49 -5.141 -6.269 11.357 1.00 0.00 C ATOM 703 OG SER A 49 -5.592 -6.144 12.695 1.00 0.00 O ATOM 0 H SER A 49 -6.026 -3.771 10.944 1.00 0.00 H new ATOM 0 HA SER A 49 -6.085 -6.315 9.429 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.898 -7.311 11.148 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.224 -5.695 11.224 1.00 0.00 H new ATOM 0 HG SER A 49 -4.896 -6.464 13.306 1.00 0.00 H new ATOM 709 N PRO A 50 -8.067 -7.308 10.719 1.00 0.00 N ATOM 710 CA PRO A 50 -9.387 -7.740 11.188 1.00 0.00 C ATOM 711 C PRO A 50 -9.453 -7.858 12.707 1.00 0.00 C ATOM 712 O PRO A 50 -10.516 -8.113 13.273 1.00 0.00 O ATOM 713 CB PRO A 50 -9.563 -9.114 10.537 1.00 0.00 C ATOM 714 CG PRO A 50 -8.175 -9.604 10.307 1.00 0.00 C ATOM 715 CD PRO A 50 -7.347 -8.383 10.017 1.00 0.00 C ATOM 0 HA PRO A 50 -10.167 -7.025 10.925 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.120 -9.791 11.185 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.117 -9.041 9.601 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.798 -10.132 11.183 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.142 -10.305 9.473 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.327 -8.492 10.387 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.279 -8.189 8.947 1.00 0.00 H new ATOM 723 N SER A 51 -8.311 -7.671 13.360 1.00 0.00 N ATOM 724 CA SER A 51 -8.239 -7.759 14.814 1.00 0.00 C ATOM 725 C SER A 51 -8.489 -6.398 15.455 1.00 0.00 C ATOM 726 O SER A 51 -8.214 -6.195 16.636 1.00 0.00 O ATOM 727 CB SER A 51 -6.873 -8.295 15.246 1.00 0.00 C ATOM 728 OG SER A 51 -6.837 -8.534 16.642 1.00 0.00 O ATOM 0 H SER A 51 -7.423 -7.458 12.906 1.00 0.00 H new ATOM 0 HA SER A 51 -9.015 -8.447 15.150 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.655 -9.219 14.710 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.096 -7.579 14.976 1.00 0.00 H new ATOM 0 HG SER A 51 -7.298 -7.807 17.110 1.00 0.00 H new ATOM 734 N GLY A 52 -9.014 -5.466 14.664 1.00 0.00 N ATOM 735 CA GLY A 52 -9.293 -4.135 15.170 1.00 0.00 C ATOM 736 C GLY A 52 -8.030 -3.352 15.469 1.00 0.00 C ATOM 737 O GLY A 52 -8.031 -2.460 16.317 1.00 0.00 O ATOM 0 H GLY A 52 -9.251 -5.610 13.682 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.890 -3.590 14.439 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.892 -4.213 16.077 1.00 0.00 H new ATOM 741 N ALA A 53 -6.949 -3.687 14.773 1.00 0.00 N ATOM 742 CA ALA A 53 -5.673 -3.009 14.968 1.00 0.00 C ATOM 743 C ALA A 53 -5.194 -2.359 13.675 1.00 0.00 C ATOM 744 O ALA A 53 -5.512 -2.822 12.580 1.00 0.00 O ATOM 745 CB ALA A 53 -4.630 -3.986 15.489 1.00 0.00 C ATOM 0 H ALA A 53 -6.931 -4.424 14.068 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.817 -2.221 15.708 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.683 -3.466 15.630 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.962 -4.399 16.441 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.497 -4.794 14.770 1.00 0.00 H new ATOM 751 N VAL A 54 -4.426 -1.281 13.808 1.00 0.00 N ATOM 752 CA VAL A 54 -3.902 -0.568 12.650 1.00 0.00 C ATOM 753 C VAL A 54 -2.379 -0.621 12.614 1.00 0.00 C ATOM 754 O VAL A 54 -1.711 -0.188 13.553 1.00 0.00 O ATOM 755 CB VAL A 54 -4.353 0.905 12.647 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.734 1.651 11.475 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.871 0.997 12.606 1.00 0.00 C ATOM 0 H VAL A 54 -4.153 -0.883 14.707 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.301 -1.065 11.766 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.008 1.374 13.568 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.064 2.690 11.490 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.647 1.614 11.553 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.046 1.184 10.541 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.172 2.045 12.604 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.241 0.512 11.703 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.289 0.501 13.482 1.00 0.00 H new ATOM 767 N GLU A 55 -1.836 -1.156 11.525 1.00 0.00 N ATOM 768 CA GLU A 55 -0.391 -1.266 11.368 1.00 0.00 C ATOM 769 C GLU A 55 0.142 -0.171 10.448 1.00 0.00 C ATOM 770 O GLU A 55 -0.629 0.580 9.850 1.00 0.00 O ATOM 771 CB GLU A 55 -0.020 -2.641 10.809 1.00 0.00 C ATOM 772 CG GLU A 55 0.223 -3.689 11.882 1.00 0.00 C ATOM 773 CD GLU A 55 1.241 -3.243 12.913 1.00 0.00 C ATOM 774 OE1 GLU A 55 2.410 -3.018 12.536 1.00 0.00 O ATOM 775 OE2 GLU A 55 0.868 -3.118 14.099 1.00 0.00 O ATOM 0 H GLU A 55 -2.375 -1.520 10.739 1.00 0.00 H new ATOM 0 HA GLU A 55 0.065 -1.145 12.350 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.819 -2.984 10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.877 -2.545 10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.719 -3.917 12.382 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.567 -4.611 11.413 1.00 0.00 H new ATOM 782 N GLU A 56 1.464 -0.086 10.342 1.00 0.00 N ATOM 783 CA GLU A 56 2.099 0.918 9.497 1.00 0.00 C ATOM 784 C GLU A 56 2.868 0.261 8.355 1.00 0.00 C ATOM 785 O GLU A 56 3.471 -0.800 8.528 1.00 0.00 O ATOM 786 CB GLU A 56 3.044 1.791 10.326 1.00 0.00 C ATOM 787 CG GLU A 56 3.850 2.775 9.495 1.00 0.00 C ATOM 788 CD GLU A 56 3.026 3.962 9.035 1.00 0.00 C ATOM 789 OE1 GLU A 56 2.965 4.965 9.777 1.00 0.00 O ATOM 790 OE2 GLU A 56 2.442 3.888 7.933 1.00 0.00 O ATOM 0 H GLU A 56 2.116 -0.700 10.830 1.00 0.00 H new ATOM 0 HA GLU A 56 1.316 1.545 9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.462 2.343 11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.729 1.147 10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.697 3.131 10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.258 2.261 8.624 1.00 0.00 H new ATOM 797 N CYS A 57 2.842 0.897 7.189 1.00 0.00 N ATOM 798 CA CYS A 57 3.535 0.374 6.017 1.00 0.00 C ATOM 799 C CYS A 57 4.776 1.204 5.704 1.00 0.00 C ATOM 800 O CYS A 57 4.765 2.428 5.832 1.00 0.00 O ATOM 801 CB CYS A 57 2.598 0.359 4.809 1.00 0.00 C ATOM 802 SG CYS A 57 1.043 -0.519 5.092 1.00 0.00 S ATOM 0 H CYS A 57 2.349 1.775 7.030 1.00 0.00 H new ATOM 0 HA CYS A 57 3.849 -0.647 6.236 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.376 1.387 4.522 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.115 -0.102 3.967 1.00 0.00 H new ATOM 0 HG CYS A 57 0.317 -0.475 4.014 1.00 0.00 H new ATOM 808 N HIS A 58 5.845 0.529 5.293 1.00 0.00 N ATOM 809 CA HIS A 58 7.095 1.204 4.962 1.00 0.00 C ATOM 810 C HIS A 58 6.917 2.111 3.749 1.00 0.00 C ATOM 811 O HIS A 58 6.722 1.637 2.629 1.00 0.00 O ATOM 812 CB HIS A 58 8.196 0.179 4.691 1.00 0.00 C ATOM 813 CG HIS A 58 9.569 0.776 4.634 1.00 0.00 C ATOM 814 ND1 HIS A 58 9.841 1.982 4.024 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.750 0.326 5.118 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.130 2.248 4.133 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.705 1.259 4.794 1.00 0.00 N ATOM 0 H HIS A 58 5.871 -0.485 5.181 1.00 0.00 H new ATOM 0 HA HIS A 58 7.384 1.819 5.814 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.172 -0.583 5.470 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.988 -0.324 3.747 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.912 -0.595 5.658 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.629 3.125 3.747 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.696 1.198 5.026 1.00 0.00 H new ATOM 825 N VAL A 59 6.985 3.419 3.978 1.00 0.00 N ATOM 826 CA VAL A 59 6.832 4.393 2.904 1.00 0.00 C ATOM 827 C VAL A 59 8.123 5.172 2.680 1.00 0.00 C ATOM 828 O VAL A 59 8.585 5.894 3.563 1.00 0.00 O ATOM 829 CB VAL A 59 5.693 5.384 3.203 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.610 6.447 2.118 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.368 4.648 3.341 1.00 0.00 C ATOM 0 H VAL A 59 7.145 3.828 4.898 1.00 0.00 H new ATOM 0 HA VAL A 59 6.588 3.833 2.001 1.00 0.00 H new ATOM 0 HB VAL A 59 5.907 5.881 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.799 7.138 2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.551 6.995 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.420 5.971 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.574 5.364 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.145 4.123 2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.435 3.929 4.157 1.00 0.00 H new ATOM 841 N SER A 60 8.702 5.020 1.493 1.00 0.00 N ATOM 842 CA SER A 60 9.942 5.707 1.154 1.00 0.00 C ATOM 843 C SER A 60 9.773 6.541 -0.112 1.00 0.00 C ATOM 844 O SER A 60 9.112 6.121 -1.061 1.00 0.00 O ATOM 845 CB SER A 60 11.074 4.695 0.963 1.00 0.00 C ATOM 846 OG SER A 60 12.311 5.350 0.741 1.00 0.00 O ATOM 0 H SER A 60 8.332 4.427 0.750 1.00 0.00 H new ATOM 0 HA SER A 60 10.195 6.375 1.977 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.149 4.058 1.844 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.846 4.045 0.118 1.00 0.00 H new ATOM 0 HG SER A 60 13.018 4.682 0.624 1.00 0.00 H new ATOM 852 N GLU A 61 10.375 7.727 -0.117 1.00 0.00 N ATOM 853 CA GLU A 61 10.290 8.621 -1.265 1.00 0.00 C ATOM 854 C GLU A 61 11.441 8.372 -2.236 1.00 0.00 C ATOM 855 O GLU A 61 12.570 8.804 -2.002 1.00 0.00 O ATOM 856 CB GLU A 61 10.304 10.081 -0.805 1.00 0.00 C ATOM 857 CG GLU A 61 10.166 11.079 -1.942 1.00 0.00 C ATOM 858 CD GLU A 61 10.238 12.517 -1.468 1.00 0.00 C ATOM 859 OE1 GLU A 61 10.950 12.781 -0.477 1.00 0.00 O ATOM 860 OE2 GLU A 61 9.581 13.379 -2.089 1.00 0.00 O ATOM 0 H GLU A 61 10.926 8.090 0.661 1.00 0.00 H new ATOM 0 HA GLU A 61 9.352 8.419 -1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.492 10.237 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.235 10.276 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.954 10.902 -2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.216 10.915 -2.451 1.00 0.00 H new ATOM 867 N LEU A 62 11.146 7.671 -3.325 1.00 0.00 N ATOM 868 CA LEU A 62 12.156 7.363 -4.333 1.00 0.00 C ATOM 869 C LEU A 62 12.109 8.371 -5.476 1.00 0.00 C ATOM 870 O LEU A 62 13.143 8.742 -6.031 1.00 0.00 O ATOM 871 CB LEU A 62 11.947 5.948 -4.875 1.00 0.00 C ATOM 872 CG LEU A 62 11.468 4.905 -3.865 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.139 3.596 -4.564 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.518 4.686 -2.786 1.00 0.00 C ATOM 0 H LEU A 62 10.217 7.305 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 62 13.137 7.423 -3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.223 5.996 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.887 5.603 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 62 10.560 5.278 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.800 2.866 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.351 3.764 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.029 3.218 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.160 3.941 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.443 4.336 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.704 5.624 -2.264 1.00 0.00 H new ATOM 886 N GLU A 63 10.903 8.811 -5.822 1.00 0.00 N ATOM 887 CA GLU A 63 10.723 9.777 -6.899 1.00 0.00 C ATOM 888 C GLU A 63 9.822 10.926 -6.454 1.00 0.00 C ATOM 889 O GLU A 63 8.977 10.779 -5.572 1.00 0.00 O ATOM 890 CB GLU A 63 10.127 9.095 -8.132 1.00 0.00 C ATOM 891 CG GLU A 63 10.599 7.664 -8.324 1.00 0.00 C ATOM 892 CD GLU A 63 10.291 7.128 -9.709 1.00 0.00 C ATOM 893 OE1 GLU A 63 9.438 7.724 -10.399 1.00 0.00 O ATOM 894 OE2 GLU A 63 10.903 6.113 -10.101 1.00 0.00 O ATOM 0 H GLU A 63 10.037 8.514 -5.372 1.00 0.00 H new ATOM 0 HA GLU A 63 11.701 10.183 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.040 9.102 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.384 9.676 -9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.674 7.614 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.125 7.026 -7.578 1.00 0.00 H new ATOM 901 N PRO A 64 10.008 12.099 -7.079 1.00 0.00 N ATOM 902 CA PRO A 64 9.222 13.296 -6.765 1.00 0.00 C ATOM 903 C PRO A 64 7.771 13.172 -7.217 1.00 0.00 C ATOM 904 O PRO A 64 6.893 13.873 -6.715 1.00 0.00 O ATOM 905 CB PRO A 64 9.934 14.402 -7.547 1.00 0.00 C ATOM 906 CG PRO A 64 10.609 13.697 -8.673 1.00 0.00 C ATOM 907 CD PRO A 64 10.998 12.346 -8.140 1.00 0.00 C ATOM 0 HA PRO A 64 9.170 13.480 -5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.227 15.146 -7.913 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.655 14.928 -6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.942 13.601 -9.530 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.485 14.250 -9.011 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.955 11.581 -8.915 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.015 12.346 -7.748 1.00 0.00 H new ATOM 915 N ASP A 65 7.527 12.277 -8.168 1.00 0.00 N ATOM 916 CA ASP A 65 6.182 12.061 -8.688 1.00 0.00 C ATOM 917 C ASP A 65 5.757 10.607 -8.506 1.00 0.00 C ATOM 918 O ASP A 65 4.658 10.216 -8.902 1.00 0.00 O ATOM 919 CB ASP A 65 6.115 12.444 -10.167 1.00 0.00 C ATOM 920 CG ASP A 65 6.813 13.759 -10.457 1.00 0.00 C ATOM 921 OD1 ASP A 65 7.019 14.543 -9.507 1.00 0.00 O ATOM 922 OD2 ASP A 65 7.153 14.003 -11.633 1.00 0.00 O ATOM 0 H ASP A 65 8.243 11.689 -8.594 1.00 0.00 H new ATOM 0 HA ASP A 65 5.496 12.695 -8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.571 11.655 -10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.072 12.514 -10.474 1.00 0.00 H new ATOM 927 N LYS A 66 6.634 9.810 -7.906 1.00 0.00 N ATOM 928 CA LYS A 66 6.350 8.399 -7.671 1.00 0.00 C ATOM 929 C LYS A 66 6.729 7.998 -6.249 1.00 0.00 C ATOM 930 O LYS A 66 7.725 8.473 -5.703 1.00 0.00 O ATOM 931 CB LYS A 66 7.110 7.531 -8.676 1.00 0.00 C ATOM 932 CG LYS A 66 6.401 6.231 -9.015 1.00 0.00 C ATOM 933 CD LYS A 66 7.384 5.157 -9.449 1.00 0.00 C ATOM 934 CE LYS A 66 7.879 4.343 -8.264 1.00 0.00 C ATOM 935 NZ LYS A 66 9.048 4.983 -7.601 1.00 0.00 N ATOM 0 H LYS A 66 7.548 10.117 -7.573 1.00 0.00 H new ATOM 0 HA LYS A 66 5.279 8.243 -7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.264 8.101 -9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.097 7.303 -8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.841 5.884 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.678 6.407 -9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.906 4.496 -10.172 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.232 5.621 -9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.071 4.225 -7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.154 3.343 -8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.419 4.350 -6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.790 5.165 -8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.753 5.882 -7.169 1.00 0.00 H new ATOM 949 N TYR A 67 5.929 7.120 -5.654 1.00 0.00 N ATOM 950 CA TYR A 67 6.180 6.655 -4.295 1.00 0.00 C ATOM 951 C TYR A 67 6.002 5.143 -4.195 1.00 0.00 C ATOM 952 O TYR A 67 5.375 4.522 -5.053 1.00 0.00 O ATOM 953 CB TYR A 67 5.241 7.357 -3.313 1.00 0.00 C ATOM 954 CG TYR A 67 5.632 8.787 -3.017 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.563 9.764 -4.003 1.00 0.00 C ATOM 956 CD2 TYR A 67 6.072 9.161 -1.754 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.920 11.072 -3.738 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.429 10.467 -1.480 1.00 0.00 C ATOM 959 CZ TYR A 67 6.352 11.419 -2.475 1.00 0.00 C ATOM 960 OH TYR A 67 6.709 12.720 -2.207 1.00 0.00 O ATOM 0 H TYR A 67 5.101 6.716 -6.092 1.00 0.00 H new ATOM 0 HA TYR A 67 7.211 6.898 -4.039 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.229 7.342 -3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.219 6.795 -2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.225 9.496 -4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.136 8.418 -0.973 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.861 11.819 -4.516 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.767 10.741 -0.492 1.00 0.00 H new ATOM 0 HH TYR A 67 7.686 12.792 -2.181 1.00 0.00 H new ATOM 970 N ALA A 68 6.558 4.557 -3.139 1.00 0.00 N ATOM 971 CA ALA A 68 6.459 3.119 -2.924 1.00 0.00 C ATOM 972 C ALA A 68 6.032 2.806 -1.494 1.00 0.00 C ATOM 973 O ALA A 68 6.325 3.563 -0.568 1.00 0.00 O ATOM 974 CB ALA A 68 7.787 2.446 -3.239 1.00 0.00 C ATOM 0 H ALA A 68 7.081 5.056 -2.420 1.00 0.00 H new ATOM 0 HA ALA A 68 5.696 2.727 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.699 1.372 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.052 2.633 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.563 2.850 -2.589 1.00 0.00 H new ATOM 980 N VAL A 69 5.336 1.687 -1.320 1.00 0.00 N ATOM 981 CA VAL A 69 4.868 1.274 -0.003 1.00 0.00 C ATOM 982 C VAL A 69 5.017 -0.231 0.187 1.00 0.00 C ATOM 983 O VAL A 69 4.302 -1.019 -0.433 1.00 0.00 O ATOM 984 CB VAL A 69 3.394 1.665 0.217 1.00 0.00 C ATOM 985 CG1 VAL A 69 2.945 1.286 1.620 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.194 3.152 -0.032 1.00 0.00 C ATOM 0 H VAL A 69 5.084 1.050 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 69 5.487 1.792 0.729 1.00 0.00 H new ATOM 0 HB VAL A 69 2.780 1.115 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.902 1.570 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.049 0.210 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.562 1.807 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.147 3.410 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.818 3.723 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.474 3.390 -1.058 1.00 0.00 H new ATOM 996 N ARG A 70 5.950 -0.624 1.048 1.00 0.00 N ATOM 997 CA ARG A 70 6.194 -2.035 1.319 1.00 0.00 C ATOM 998 C ARG A 70 5.437 -2.489 2.564 1.00 0.00 C ATOM 999 O ARG A 70 5.401 -1.784 3.572 1.00 0.00 O ATOM 1000 CB ARG A 70 7.691 -2.291 1.499 1.00 0.00 C ATOM 1001 CG ARG A 70 8.115 -3.707 1.145 1.00 0.00 C ATOM 1002 CD ARG A 70 9.320 -4.148 1.960 1.00 0.00 C ATOM 1003 NE ARG A 70 10.575 -3.674 1.382 1.00 0.00 N ATOM 1004 CZ ARG A 70 11.749 -3.770 1.995 1.00 0.00 C ATOM 1005 NH1 ARG A 70 11.830 -4.321 3.198 1.00 0.00 N ATOM 1006 NH2 ARG A 70 12.847 -3.316 1.404 1.00 0.00 N ATOM 0 H ARG A 70 6.549 0.015 1.570 1.00 0.00 H new ATOM 0 HA ARG A 70 5.834 -2.610 0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.248 -1.589 0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.964 -2.088 2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.285 -4.391 1.321 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.353 -3.762 0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.226 -3.773 2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.337 -5.236 2.022 1.00 0.00 H new ATOM 0 HE ARG A 70 10.548 -3.246 0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.989 -4.673 3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.733 -4.393 3.666 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.790 -2.893 0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.748 -3.390 1.876 1.00 0.00 H new ATOM 1020 N PHE A 71 4.832 -3.669 2.485 1.00 0.00 N ATOM 1021 CA PHE A 71 4.074 -4.216 3.604 1.00 0.00 C ATOM 1022 C PHE A 71 3.953 -5.733 3.490 1.00 0.00 C ATOM 1023 O PHE A 71 4.212 -6.309 2.432 1.00 0.00 O ATOM 1024 CB PHE A 71 2.681 -3.586 3.661 1.00 0.00 C ATOM 1025 CG PHE A 71 1.772 -4.039 2.554 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.974 -3.609 1.253 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.715 -4.896 2.815 1.00 0.00 C ATOM 1028 CE1 PHE A 71 1.140 -4.024 0.232 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.123 -5.315 1.799 1.00 0.00 C ATOM 1030 CZ PHE A 71 0.090 -4.878 0.506 1.00 0.00 C ATOM 0 H PHE A 71 4.852 -4.265 1.658 1.00 0.00 H new ATOM 0 HA PHE A 71 4.610 -3.980 4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.221 -3.827 4.619 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.780 -2.501 3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.794 -2.941 1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.544 -5.241 3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.309 -3.681 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.943 -5.983 2.016 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.564 -5.204 -0.290 1.00 0.00 H new ATOM 1040 N ILE A 72 3.559 -6.373 4.585 1.00 0.00 N ATOM 1041 CA ILE A 72 3.404 -7.823 4.608 1.00 0.00 C ATOM 1042 C ILE A 72 1.935 -8.217 4.715 1.00 0.00 C ATOM 1043 O ILE A 72 1.341 -8.208 5.793 1.00 0.00 O ATOM 1044 CB ILE A 72 4.180 -8.453 5.780 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.676 -8.163 5.645 1.00 0.00 C ATOM 1046 CG2 ILE A 72 3.929 -9.953 5.835 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.455 -8.401 6.919 1.00 0.00 C ATOM 0 H ILE A 72 3.341 -5.911 5.468 1.00 0.00 H new ATOM 0 HA ILE A 72 3.811 -8.199 3.669 1.00 0.00 H new ATOM 0 HB ILE A 72 3.826 -8.010 6.711 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.089 -8.789 4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.810 -7.127 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.484 -10.384 6.668 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.864 -10.139 5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.259 -10.412 4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.508 -8.175 6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.068 -7.756 7.708 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.351 -9.444 7.219 1.00 0.00 H new ATOM 1059 N PRO A 73 1.333 -8.572 3.570 1.00 0.00 N ATOM 1060 CA PRO A 73 -0.074 -8.978 3.509 1.00 0.00 C ATOM 1061 C PRO A 73 -0.316 -10.331 4.170 1.00 0.00 C ATOM 1062 O PRO A 73 -0.410 -11.356 3.494 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.355 -9.060 2.006 1.00 0.00 C ATOM 1064 CG PRO A 73 0.975 -9.319 1.386 1.00 0.00 C ATOM 1065 CD PRO A 73 1.980 -8.605 2.248 1.00 0.00 C ATOM 0 HA PRO A 73 -0.722 -8.281 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.060 -9.859 1.778 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.792 -8.133 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.185 -10.388 1.345 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.007 -8.949 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.932 -9.136 2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.187 -7.601 1.877 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.417 -10.327 5.496 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.650 -11.554 6.249 1.00 0.00 C ATOM 1075 C HIS A 74 -1.901 -11.432 7.114 1.00 0.00 C ATOM 1076 O HIS A 74 -1.889 -10.764 8.147 1.00 0.00 O ATOM 1077 CB HIS A 74 0.561 -11.877 7.125 1.00 0.00 C ATOM 1078 CG HIS A 74 0.767 -10.903 8.244 1.00 0.00 C ATOM 1079 ND1 HIS A 74 1.424 -9.702 8.085 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.396 -10.958 9.545 1.00 0.00 C ATOM 1081 CE1 HIS A 74 1.450 -9.060 9.240 1.00 0.00 C ATOM 1082 NE2 HIS A 74 0.833 -9.801 10.142 1.00 0.00 N ATOM 0 H HIS A 74 -0.341 -9.488 6.071 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.801 -12.365 5.537 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.441 -12.877 7.542 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.455 -11.896 6.502 1.00 0.00 H new ATOM 0 HD1 HIS A 74 1.827 -9.362 7.212 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.143 -11.762 10.024 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.899 -8.094 9.416 1.00 0.00 H new ATOM 1090 N GLU A 75 -2.978 -12.081 6.683 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.237 -12.043 7.418 1.00 0.00 C ATOM 1092 C GLU A 75 -4.962 -13.382 7.325 1.00 0.00 C ATOM 1093 O GLU A 75 -4.516 -14.295 6.631 1.00 0.00 O ATOM 1094 CB GLU A 75 -5.134 -10.926 6.880 1.00 0.00 C ATOM 1095 CG GLU A 75 -4.697 -9.535 7.307 1.00 0.00 C ATOM 1096 CD GLU A 75 -5.671 -8.458 6.871 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -6.885 -8.744 6.816 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -5.219 -7.330 6.584 1.00 0.00 O ATOM 0 H GLU A 75 -3.004 -12.639 5.829 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.011 -11.844 8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.147 -10.975 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.156 -11.097 7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.593 -9.508 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.714 -9.322 6.887 1.00 0.00 H new ATOM 1105 N ASN A 76 -6.084 -13.491 8.029 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.871 -14.719 8.027 1.00 0.00 C ATOM 1107 C ASN A 76 -8.033 -14.619 7.043 1.00 0.00 C ATOM 1108 O ASN A 76 -8.851 -15.532 6.937 1.00 0.00 O ATOM 1109 CB ASN A 76 -7.402 -15.011 9.432 1.00 0.00 C ATOM 1110 CG ASN A 76 -8.769 -14.398 9.672 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -9.710 -15.087 10.066 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -8.883 -13.097 9.435 1.00 0.00 N ATOM 0 H ASN A 76 -6.469 -12.744 8.608 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.222 -15.537 7.714 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.459 -16.090 9.579 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.699 -14.626 10.171 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.778 -12.629 9.579 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.076 -12.565 9.109 1.00 0.00 H new ATOM 1119 N GLY A 77 -8.097 -13.502 6.324 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.161 -13.303 5.357 1.00 0.00 C ATOM 1121 C GLY A 77 -8.829 -12.227 4.343 1.00 0.00 C ATOM 1122 O GLY A 77 -7.970 -12.419 3.482 1.00 0.00 O ATOM 0 H GLY A 77 -7.432 -12.732 6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.355 -14.241 4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.078 -13.034 5.881 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.512 -11.091 4.442 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.286 -9.980 3.525 1.00 0.00 C ATOM 1128 C VAL A 78 -8.651 -8.795 4.245 1.00 0.00 C ATOM 1129 O VAL A 78 -9.033 -8.458 5.365 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.599 -9.521 2.864 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.339 -8.371 1.903 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.268 -10.684 2.147 1.00 0.00 C ATOM 0 H VAL A 78 -10.227 -10.916 5.148 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.606 -10.340 2.753 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.274 -9.167 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.278 -8.060 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.906 -7.532 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.647 -8.695 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.194 -10.342 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.600 -11.070 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.490 -11.474 2.864 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.678 -8.166 3.592 1.00 0.00 N ATOM 1143 CA HIS A 79 -6.990 -7.016 4.169 1.00 0.00 C ATOM 1144 C HIS A 79 -7.655 -5.712 3.738 1.00 0.00 C ATOM 1145 O HIS A 79 -8.400 -5.677 2.757 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.519 -7.014 3.753 1.00 0.00 C ATOM 1147 CG HIS A 79 -4.879 -8.367 3.808 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.832 -8.671 4.653 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.145 -9.501 3.118 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.480 -9.932 4.479 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.262 -10.459 3.553 1.00 0.00 N ATOM 0 H HIS A 79 -7.349 -8.433 2.664 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.053 -7.093 5.254 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.437 -6.624 2.739 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.967 -6.334 4.402 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.397 -8.023 5.310 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.909 -9.629 2.366 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.688 -10.445 5.004 1.00 0.00 H new ATOM 1159 N THR A 80 -7.382 -4.642 4.477 1.00 0.00 N ATOM 1160 CA THR A 80 -7.955 -3.336 4.173 1.00 0.00 C ATOM 1161 C THR A 80 -6.883 -2.252 4.173 1.00 0.00 C ATOM 1162 O THR A 80 -6.320 -1.923 5.218 1.00 0.00 O ATOM 1163 CB THR A 80 -9.054 -2.956 5.182 1.00 0.00 C ATOM 1164 OG1 THR A 80 -9.966 -4.048 5.348 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.812 -1.722 4.717 1.00 0.00 C ATOM 0 H THR A 80 -6.767 -4.654 5.291 1.00 0.00 H new ATOM 0 HA THR A 80 -8.395 -3.408 3.178 1.00 0.00 H new ATOM 0 HB THR A 80 -8.578 -2.732 6.137 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.661 -3.799 5.993 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.583 -1.473 5.446 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.120 -0.885 4.620 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.276 -1.923 3.752 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.606 -1.700 2.997 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.603 -0.651 2.863 1.00 0.00 C ATOM 1175 C ILE A 81 -6.228 0.731 3.025 1.00 0.00 C ATOM 1176 O ILE A 81 -7.222 1.054 2.375 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.891 -0.723 1.499 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.180 -2.069 1.342 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.903 0.424 1.356 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -4.012 -2.498 -0.099 1.00 0.00 C ATOM 0 H ILE A 81 -7.062 -1.962 2.123 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.871 -0.812 3.655 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.638 -0.633 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.198 -2.009 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.744 -2.833 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.408 0.359 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.434 1.373 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.158 0.363 2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.501 -3.460 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.992 -2.590 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.422 -1.753 -0.634 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.637 1.543 3.895 1.00 0.00 N ATOM 1193 CA ASP A 82 -6.133 2.892 4.141 1.00 0.00 C ATOM 1194 C ASP A 82 -5.170 3.935 3.582 1.00 0.00 C ATOM 1195 O ASP A 82 -4.084 4.145 4.121 1.00 0.00 O ATOM 1196 CB ASP A 82 -6.336 3.118 5.640 1.00 0.00 C ATOM 1197 CG ASP A 82 -7.628 2.508 6.148 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -7.861 1.310 5.885 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -8.405 3.230 6.807 1.00 0.00 O ATOM 0 H ASP A 82 -4.814 1.290 4.442 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.091 2.999 3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.496 2.689 6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.337 4.188 5.846 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.576 4.586 2.497 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.750 5.608 1.864 1.00 0.00 C ATOM 1206 C VAL A 83 -5.334 6.999 2.082 1.00 0.00 C ATOM 1207 O VAL A 83 -6.325 7.374 1.456 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.605 5.355 0.352 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.748 6.435 -0.290 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -4.019 3.975 0.096 1.00 0.00 C ATOM 0 H VAL A 83 -6.472 4.424 2.038 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.766 5.553 2.330 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.595 5.393 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.657 6.240 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.215 7.408 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.758 6.432 0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.924 3.814 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.036 3.905 0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.677 3.216 0.520 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.712 7.762 2.975 1.00 0.00 N ATOM 1221 CA LYS A 84 -5.168 9.114 3.276 1.00 0.00 C ATOM 1222 C LYS A 84 -4.178 10.150 2.754 1.00 0.00 C ATOM 1223 O LYS A 84 -2.965 9.977 2.866 1.00 0.00 O ATOM 1224 CB LYS A 84 -5.355 9.287 4.785 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.701 8.798 5.291 1.00 0.00 C ATOM 1226 CD LYS A 84 -6.980 9.293 6.700 1.00 0.00 C ATOM 1227 CE LYS A 84 -6.464 8.318 7.747 1.00 0.00 C ATOM 1228 NZ LYS A 84 -5.013 8.514 8.019 1.00 0.00 N ATOM 0 H LYS A 84 -3.891 7.467 3.503 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.125 9.268 2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.563 8.748 5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.242 10.341 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.489 9.141 4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.722 7.708 5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.510 10.266 6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.053 9.435 6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.027 8.446 8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.635 7.296 7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.502 7.628 7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.643 9.266 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.880 8.785 9.014 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.704 11.229 2.183 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.867 12.294 1.644 1.00 0.00 C ATOM 1244 C PHE A 85 -4.313 13.656 2.169 1.00 0.00 C ATOM 1245 O PHE A 85 -5.327 14.199 1.733 1.00 0.00 O ATOM 1246 CB PHE A 85 -3.914 12.284 0.115 1.00 0.00 C ATOM 1247 CG PHE A 85 -2.948 13.244 -0.521 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -1.610 12.911 -0.659 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -3.379 14.478 -0.981 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -0.720 13.793 -1.243 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -2.494 15.363 -1.566 1.00 0.00 C ATOM 1252 CZ PHE A 85 -1.163 15.020 -1.698 1.00 0.00 C ATOM 0 H PHE A 85 -5.706 11.389 2.082 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.842 12.117 1.970 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.700 11.276 -0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.925 12.529 -0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.259 11.952 -0.307 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.419 14.751 -0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.321 13.523 -1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.843 16.322 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.469 15.710 -2.156 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.547 14.201 3.109 1.00 0.00 N ATOM 1263 CA ASN A 86 -3.864 15.499 3.694 1.00 0.00 C ATOM 1264 C ASN A 86 -5.197 15.450 4.435 1.00 0.00 C ATOM 1265 O ASN A 86 -5.908 16.450 4.519 1.00 0.00 O ATOM 1266 CB ASN A 86 -3.910 16.575 2.608 1.00 0.00 C ATOM 1267 CG ASN A 86 -2.552 17.201 2.356 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -1.529 16.703 2.828 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -2.536 18.299 1.610 1.00 0.00 N ATOM 0 H ASN A 86 -2.704 13.765 3.481 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.080 15.749 4.409 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.282 16.137 1.682 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.617 17.352 2.900 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.652 18.765 1.407 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.408 18.677 1.240 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.528 14.280 4.971 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.774 14.123 5.698 1.00 0.00 C ATOM 1278 C GLY A 87 -7.952 13.862 4.780 1.00 0.00 C ATOM 1279 O GLY A 87 -8.993 14.508 4.896 1.00 0.00 O ATOM 0 H GLY A 87 -4.956 13.438 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.678 13.298 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.966 15.023 6.283 1.00 0.00 H new ATOM 1283 N SER A 88 -7.787 12.913 3.864 1.00 0.00 N ATOM 1284 CA SER A 88 -8.844 12.572 2.919 1.00 0.00 C ATOM 1285 C SER A 88 -8.566 11.227 2.255 1.00 0.00 C ATOM 1286 O SER A 88 -7.528 11.038 1.619 1.00 0.00 O ATOM 1287 CB SER A 88 -8.975 13.662 1.853 1.00 0.00 C ATOM 1288 OG SER A 88 -10.214 13.563 1.172 1.00 0.00 O ATOM 0 H SER A 88 -6.932 12.367 3.756 1.00 0.00 H new ATOM 0 HA SER A 88 -9.781 12.498 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.890 14.643 2.320 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.156 13.577 1.139 1.00 0.00 H new ATOM 0 HG SER A 88 -10.274 14.271 0.497 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.500 10.294 2.407 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.357 8.966 1.822 1.00 0.00 C ATOM 1296 C HIS A 89 -9.504 9.022 0.304 1.00 0.00 C ATOM 1297 O HIS A 89 -10.579 9.321 -0.215 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.396 8.011 2.411 1.00 0.00 C ATOM 1299 CG HIS A 89 -10.123 7.635 3.835 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.741 6.367 4.218 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -10.178 8.369 4.971 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.574 6.336 5.528 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.833 7.539 6.009 1.00 0.00 N ATOM 0 H HIS A 89 -10.364 10.433 2.931 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.359 8.597 2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.381 8.474 2.348 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.431 7.106 1.805 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -10.444 9.413 5.047 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.276 5.474 6.107 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -9.785 7.808 6.992 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.415 8.733 -0.402 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.423 8.750 -1.860 1.00 0.00 C ATOM 1313 C VAL A 90 -9.539 7.871 -2.414 1.00 0.00 C ATOM 1314 O VAL A 90 -9.892 6.851 -1.823 1.00 0.00 O ATOM 1315 CB VAL A 90 -7.075 8.273 -2.434 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.922 9.011 -1.772 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.926 6.769 -2.261 1.00 0.00 C ATOM 0 H VAL A 90 -7.517 8.484 0.012 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.594 9.783 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.053 8.497 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.978 8.661 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.024 10.081 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.936 8.821 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.969 6.449 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.968 6.519 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.734 6.260 -2.786 1.00 0.00 H new ATOM 1327 N VAL A 91 -10.091 8.274 -3.554 1.00 0.00 N ATOM 1328 CA VAL A 91 -11.166 7.522 -4.190 1.00 0.00 C ATOM 1329 C VAL A 91 -10.904 6.022 -4.120 1.00 0.00 C ATOM 1330 O VAL A 91 -9.788 5.564 -4.364 1.00 0.00 O ATOM 1331 CB VAL A 91 -11.342 7.933 -5.664 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -10.010 7.879 -6.397 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -12.371 7.043 -6.346 1.00 0.00 C ATOM 0 H VAL A 91 -9.812 9.117 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.080 7.754 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.705 8.960 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.155 8.173 -7.437 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.305 8.561 -5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.614 6.864 -6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.483 7.347 -7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.039 6.006 -6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.329 7.138 -5.835 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.941 5.260 -3.786 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.803 3.819 -3.689 1.00 0.00 C ATOM 1345 C GLY A 92 -11.081 3.389 -2.428 1.00 0.00 C ATOM 1346 O GLY A 92 -10.688 2.230 -2.294 1.00 0.00 O ATOM 0 H GLY A 92 -12.875 5.615 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.791 3.360 -3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.260 3.450 -4.559 1.00 0.00 H new ATOM 1350 N SER A 93 -10.905 4.324 -1.501 1.00 0.00 N ATOM 1351 CA SER A 93 -10.220 4.037 -0.245 1.00 0.00 C ATOM 1352 C SER A 93 -11.213 3.964 0.911 1.00 0.00 C ATOM 1353 O SER A 93 -12.175 4.729 0.985 1.00 0.00 O ATOM 1354 CB SER A 93 -9.164 5.107 0.041 1.00 0.00 C ATOM 1355 OG SER A 93 -8.397 4.773 1.184 1.00 0.00 O ATOM 0 H SER A 93 -11.227 5.287 -1.595 1.00 0.00 H new ATOM 0 HA SER A 93 -9.729 3.069 -0.341 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.508 5.215 -0.823 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.650 6.071 0.194 1.00 0.00 H new ATOM 0 HG SER A 93 -8.095 5.594 1.626 1.00 0.00 H new ATOM 1361 N PRO A 94 -10.975 3.022 1.835 1.00 0.00 N ATOM 1362 CA PRO A 94 -9.834 2.106 1.757 1.00 0.00 C ATOM 1363 C PRO A 94 -9.978 1.096 0.623 1.00 0.00 C ATOM 1364 O PRO A 94 -10.968 1.106 -0.108 1.00 0.00 O ATOM 1365 CB PRO A 94 -9.855 1.395 3.112 1.00 0.00 C ATOM 1366 CG PRO A 94 -11.274 1.475 3.559 1.00 0.00 C ATOM 1367 CD PRO A 94 -11.803 2.779 3.029 1.00 0.00 C ATOM 0 HA PRO A 94 -8.902 2.633 1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.526 0.360 3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.187 1.880 3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.852 0.635 3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.343 1.439 4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.861 2.711 2.777 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.700 3.581 3.760 1.00 0.00 H new ATOM 1375 N PHE A 95 -8.984 0.226 0.483 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.000 -0.791 -0.563 1.00 0.00 C ATOM 1377 C PHE A 95 -9.028 -2.192 0.041 1.00 0.00 C ATOM 1378 O PHE A 95 -8.469 -2.430 1.112 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.777 -0.639 -1.470 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.843 0.563 -2.368 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -7.719 1.841 -1.847 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -8.029 0.416 -3.733 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -7.778 2.950 -2.670 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -8.089 1.520 -4.561 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.965 2.789 -4.029 1.00 0.00 C ATOM 0 H PHE A 95 -8.157 0.204 1.080 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.904 -0.652 -1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.882 -0.572 -0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.675 -1.535 -2.082 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.574 1.972 -0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.128 -0.573 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.678 3.940 -2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.233 1.391 -5.624 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.014 3.653 -4.675 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.684 -3.116 -0.653 1.00 0.00 N ATOM 1396 CA LYS A 96 -9.786 -4.494 -0.187 1.00 0.00 C ATOM 1397 C LYS A 96 -8.966 -5.429 -1.071 1.00 0.00 C ATOM 1398 O LYS A 96 -8.934 -5.275 -2.292 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.249 -4.941 -0.172 1.00 0.00 C ATOM 1400 CG LYS A 96 -11.968 -4.716 -1.491 1.00 0.00 C ATOM 1401 CD LYS A 96 -13.124 -5.686 -1.669 1.00 0.00 C ATOM 1402 CE LYS A 96 -14.370 -5.208 -0.940 1.00 0.00 C ATOM 1403 NZ LYS A 96 -15.536 -6.101 -1.190 1.00 0.00 N ATOM 0 H LYS A 96 -10.153 -2.935 -1.541 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.388 -4.540 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.294 -6.000 0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.776 -4.403 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.341 -3.693 -1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.264 -4.833 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.344 -5.801 -2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.837 -6.669 -1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.170 -5.163 0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.613 -4.195 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.365 -5.741 -0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.743 -6.124 -2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.314 -7.062 -0.860 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.307 -6.399 -0.447 1.00 0.00 N ATOM 1418 CA VAL A 97 -7.489 -7.360 -1.177 1.00 0.00 C ATOM 1419 C VAL A 97 -7.626 -8.759 -0.586 1.00 0.00 C ATOM 1420 O VAL A 97 -8.051 -8.922 0.558 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.003 -6.955 -1.169 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -5.791 -5.689 -1.984 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.510 -6.769 0.258 1.00 0.00 C ATOM 0 H VAL A 97 -8.323 -6.541 0.563 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.850 -7.365 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.423 -7.756 -1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.735 -5.418 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.105 -5.862 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.381 -4.878 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.458 -6.483 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.093 -5.987 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.625 -7.703 0.807 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.263 -9.766 -1.373 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.346 -11.152 -0.928 1.00 0.00 C ATOM 1435 C ARG A 98 -5.996 -11.849 -1.067 1.00 0.00 C ATOM 1436 O ARG A 98 -5.455 -11.967 -2.166 1.00 0.00 O ATOM 1437 CB ARG A 98 -8.406 -11.906 -1.734 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.065 -13.039 -0.963 1.00 0.00 C ATOM 1439 CD ARG A 98 -9.661 -14.077 -1.900 1.00 0.00 C ATOM 1440 NE ARG A 98 -10.865 -13.587 -2.566 1.00 0.00 N ATOM 1441 CZ ARG A 98 -11.721 -14.374 -3.210 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -11.506 -15.680 -3.273 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -12.794 -13.853 -3.790 1.00 0.00 N ATOM 0 H ARG A 98 -6.909 -9.648 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.630 -11.153 0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.174 -11.203 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.945 -12.311 -2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.330 -13.514 -0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.847 -12.636 -0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.920 -14.356 -2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.900 -14.979 -1.337 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.060 -12.586 -2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.682 -16.083 -2.827 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.164 -16.282 -3.768 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.962 -12.848 -3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.451 -14.457 -4.284 1.00 0.00 H new ATOM 1457 N VAL A 99 -5.456 -12.310 0.057 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.169 -12.996 0.062 1.00 0.00 C ATOM 1459 C VAL A 99 -4.331 -14.470 -0.290 1.00 0.00 C ATOM 1460 O VAL A 99 -5.178 -15.164 0.271 1.00 0.00 O ATOM 1461 CB VAL A 99 -3.477 -12.880 1.433 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.152 -13.787 2.451 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -1.997 -13.211 1.311 1.00 0.00 C ATOM 0 H VAL A 99 -5.890 -12.221 0.976 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.549 -12.511 -0.692 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.569 -11.851 1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.649 -13.691 3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.198 -13.499 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.093 -14.821 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.523 -13.124 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.881 -14.230 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.525 -12.517 0.616 1.00 0.00 H new ATOM 1473 N GLY A 100 -3.512 -14.943 -1.225 1.00 0.00 N ATOM 1474 CA GLY A 100 -3.580 -16.333 -1.636 1.00 0.00 C ATOM 1475 C GLY A 100 -2.802 -16.600 -2.909 1.00 0.00 C ATOM 1476 O GLY A 100 -2.697 -15.730 -3.773 1.00 0.00 O ATOM 0 H GLY A 100 -2.803 -14.388 -1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.191 -16.964 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.623 -16.614 -1.785 1.00 0.00 H new ATOM 1480 N GLU A 101 -2.253 -17.806 -3.025 1.00 0.00 N ATOM 1481 CA GLU A 101 -1.478 -18.182 -4.201 1.00 0.00 C ATOM 1482 C GLU A 101 -2.346 -18.153 -5.456 1.00 0.00 C ATOM 1483 O GLU A 101 -3.537 -18.462 -5.425 1.00 0.00 O ATOM 1484 CB GLU A 101 -0.875 -19.576 -4.017 1.00 0.00 C ATOM 1485 CG GLU A 101 -1.910 -20.659 -3.762 1.00 0.00 C ATOM 1486 CD GLU A 101 -1.363 -21.806 -2.936 1.00 0.00 C ATOM 1487 OE1 GLU A 101 -0.449 -22.504 -3.423 1.00 0.00 O ATOM 1488 OE2 GLU A 101 -1.848 -22.007 -1.803 1.00 0.00 O ATOM 0 H GLU A 101 -2.331 -18.538 -2.319 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.672 -17.458 -4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.302 -19.835 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.174 -19.552 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.767 -20.223 -3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.271 -21.043 -4.716 1.00 0.00 H new ATOM 1495 N PRO A 102 -1.735 -17.773 -6.588 1.00 0.00 N ATOM 1496 CA PRO A 102 -2.432 -17.695 -7.876 1.00 0.00 C ATOM 1497 C PRO A 102 -2.800 -19.071 -8.421 1.00 0.00 C ATOM 1498 O PRO A 102 -3.740 -19.208 -9.202 1.00 0.00 O ATOM 1499 CB PRO A 102 -1.411 -17.013 -8.791 1.00 0.00 C ATOM 1500 CG PRO A 102 -0.088 -17.330 -8.184 1.00 0.00 C ATOM 1501 CD PRO A 102 -0.317 -17.392 -6.699 1.00 0.00 C ATOM 0 HA PRO A 102 -3.378 -17.159 -7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.479 -17.391 -9.811 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.578 -15.937 -8.838 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.296 -18.278 -8.559 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.649 -16.566 -8.434 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.334 -18.124 -6.222 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.120 -16.432 -6.222 1.00 0.00 H new ATOM 1509 N GLY A 103 -2.052 -20.088 -8.002 1.00 0.00 N ATOM 1510 CA GLY A 103 -2.317 -21.439 -8.459 1.00 0.00 C ATOM 1511 C GLY A 103 -1.992 -22.481 -7.406 1.00 0.00 C ATOM 1512 O GLY A 103 -0.866 -22.541 -6.911 1.00 0.00 O ATOM 0 H GLY A 103 -1.268 -20.000 -7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.367 -21.525 -8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -1.730 -21.638 -9.356 1.00 0.00 H new ATOM 1516 N GLN A 104 -2.979 -23.301 -7.062 1.00 0.00 N ATOM 1517 CA GLN A 104 -2.792 -24.343 -6.059 1.00 0.00 C ATOM 1518 C GLN A 104 -1.627 -25.254 -6.432 1.00 0.00 C ATOM 1519 O GLN A 104 -1.372 -25.501 -7.610 1.00 0.00 O ATOM 1520 CB GLN A 104 -4.071 -25.167 -5.905 1.00 0.00 C ATOM 1521 CG GLN A 104 -4.430 -25.971 -7.145 1.00 0.00 C ATOM 1522 CD GLN A 104 -5.259 -27.199 -6.824 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -6.366 -27.367 -7.337 1.00 0.00 O ATOM 1524 NE2 GLN A 104 -4.726 -28.068 -5.972 1.00 0.00 N ATOM 0 H GLN A 104 -3.916 -23.264 -7.463 1.00 0.00 H new ATOM 0 HA GLN A 104 -2.563 -23.861 -5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -3.955 -25.848 -5.062 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.897 -24.498 -5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.982 -25.336 -7.838 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.515 -26.277 -7.652 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.806 -27.889 -5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.237 -28.914 -5.720 1.00 0.00 H new ATOM 1533 N ALA A 105 -0.924 -25.751 -5.420 1.00 0.00 N ATOM 1534 CA ALA A 105 0.213 -26.636 -5.641 1.00 0.00 C ATOM 1535 C ALA A 105 -0.036 -27.562 -6.827 1.00 0.00 C ATOM 1536 O ALA A 105 -0.990 -28.339 -6.832 1.00 0.00 O ATOM 1537 CB ALA A 105 0.502 -27.448 -4.387 1.00 0.00 C ATOM 0 H ALA A 105 -1.122 -25.556 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 105 1.083 -26.020 -5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.353 -28.104 -4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 105 0.731 -26.774 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -0.372 -28.048 -4.133 1.00 0.00 H new ATOM 1543 N GLY A 106 0.830 -27.474 -7.832 1.00 0.00 N ATOM 1544 CA GLY A 106 0.686 -28.309 -9.010 1.00 0.00 C ATOM 1545 C GLY A 106 0.693 -27.505 -10.295 1.00 0.00 C ATOM 1546 O GLY A 106 -0.359 -27.086 -10.778 1.00 0.00 O ATOM 0 H GLY A 106 1.628 -26.840 -7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 106 1.496 -29.037 -9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.246 -28.871 -8.942 1.00 0.00 H new TER 1550 GLY A 106