USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 699 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 62 ASN : amide:sc= -1.11! C(o=-1.1!,f=-4.5!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 52 THR OG1 : rot -90:sc= -11.1! USER MOD Set 2.2: A 55 GLN : amide:sc= -1.48! C(o=-13!,f=-13!) USER MOD Set 3.1: A 20 THR OG1 : rot 175:sc= -5.25! USER MOD Set 3.2: A 23 GLN : amide:sc= -8.84! C(o=-14!,f=-25!) USER MOD Set 4.1: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc=-0.00397 (180deg=-0.00397) USER MOD Single : A 2 SER OG : rot 54:sc= 0.391 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -54:sc= 1.17 USER MOD Single : A 10 ASN : amide:sc= 0.407 K(o=0.41,f=-5.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0284 USER MOD Single : A 33 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.38) USER MOD Single : A 34 GLN :FLIP amide:sc= -3.16! C(o=-4!,f=-3.2!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.277 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 46 THR OG1 : rot 54:sc= -7.68! USER MOD Single : A 47 SER OG : rot -85:sc= 0.494 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0635 K(o=-0.064,f=-1.9!) USER MOD Single : A 63 HIS : no HE2:sc= -0.684 K(o=-0.68,f=-5.2!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 56:sc= -3.94! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0173 F(o=-1.4!,f=-0.017) USER MOD Single : A 72 ASN : amide:sc= -0.0791 K(o=-0.079,f=-0.81) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.107 F(o=-0.63,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.840 4.686 -20.388 1.00 0.00 N ATOM 2 CA GLY A 1 10.251 6.096 -20.434 1.00 0.00 C ATOM 3 C GLY A 1 9.952 6.805 -19.158 1.00 0.00 C ATOM 4 O GLY A 1 9.249 7.795 -19.138 1.00 0.00 O ATOM 0 H1 GLY A 1 10.987 4.339 -21.357 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.751 4.706 -19.886 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.184 4.052 -19.889 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.941 6.721 -21.001 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.324 6.045 -21.005 1.00 0.00 H new ATOM 10 N SER A 2 10.476 6.324 -18.064 1.00 0.00 N ATOM 11 CA SER A 2 10.215 6.990 -16.757 1.00 0.00 C ATOM 12 C SER A 2 11.164 6.426 -15.698 1.00 0.00 C ATOM 13 O SER A 2 10.809 5.545 -14.939 1.00 0.00 O ATOM 14 CB SER A 2 8.768 6.734 -16.334 1.00 0.00 C ATOM 15 OG SER A 2 8.489 5.344 -16.428 1.00 0.00 O ATOM 0 H SER A 2 11.074 5.499 -18.019 1.00 0.00 H new ATOM 0 HA SER A 2 10.380 8.063 -16.857 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.609 7.080 -15.313 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.086 7.297 -16.971 1.00 0.00 H new ATOM 0 HG SER A 2 9.153 4.841 -15.911 1.00 0.00 H new ATOM 21 N HIS A 3 12.369 6.925 -15.642 1.00 0.00 N ATOM 22 CA HIS A 3 13.339 6.417 -14.632 1.00 0.00 C ATOM 23 C HIS A 3 14.637 7.223 -14.716 1.00 0.00 C ATOM 24 O HIS A 3 15.552 6.875 -15.436 1.00 0.00 O ATOM 25 CB HIS A 3 13.638 4.942 -14.910 1.00 0.00 C ATOM 26 CG HIS A 3 13.798 4.208 -13.608 1.00 0.00 C ATOM 27 ND1 HIS A 3 14.555 4.713 -12.563 1.00 0.00 N ATOM 28 CD2 HIS A 3 13.304 3.006 -13.166 1.00 0.00 C ATOM 29 CE1 HIS A 3 14.497 3.825 -11.554 1.00 0.00 C ATOM 30 NE2 HIS A 3 13.746 2.765 -11.869 1.00 0.00 N ATOM 0 H HIS A 3 12.723 7.662 -16.252 1.00 0.00 H new ATOM 0 HA HIS A 3 12.911 6.522 -13.635 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.829 4.500 -15.492 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.546 4.850 -15.505 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.668 2.347 -13.739 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.996 3.953 -10.605 1.00 0.00 H new ATOM 0 HE2 HIS A 3 13.541 1.954 -11.285 1.00 0.00 H new ATOM 38 N MET A 4 14.724 8.300 -13.982 1.00 0.00 N ATOM 39 CA MET A 4 15.961 9.128 -14.017 1.00 0.00 C ATOM 40 C MET A 4 16.366 9.498 -12.588 1.00 0.00 C ATOM 41 O MET A 4 17.379 10.128 -12.364 1.00 0.00 O ATOM 42 CB MET A 4 15.697 10.407 -14.816 1.00 0.00 C ATOM 43 CG MET A 4 14.200 10.717 -14.802 1.00 0.00 C ATOM 44 SD MET A 4 13.912 12.336 -15.559 1.00 0.00 S ATOM 45 CE MET A 4 12.106 12.237 -15.622 1.00 0.00 C ATOM 0 H MET A 4 13.991 8.641 -13.360 1.00 0.00 H new ATOM 0 HA MET A 4 16.764 8.562 -14.490 1.00 0.00 H new ATOM 0 HB2 MET A 4 16.255 11.239 -14.386 1.00 0.00 H new ATOM 0 HB3 MET A 4 16.045 10.286 -15.842 1.00 0.00 H new ATOM 0 HG2 MET A 4 13.653 9.947 -15.346 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.826 10.711 -13.778 1.00 0.00 H new ATOM 0 HE1 MET A 4 11.707 13.150 -16.063 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.809 11.381 -16.228 1.00 0.00 H new ATOM 0 HE3 MET A 4 11.713 12.120 -14.612 1.00 0.00 H new ATOM 55 N SER A 5 15.580 9.110 -11.621 1.00 0.00 N ATOM 56 CA SER A 5 15.920 9.440 -10.209 1.00 0.00 C ATOM 57 C SER A 5 16.297 10.920 -10.105 1.00 0.00 C ATOM 58 O SER A 5 17.278 11.279 -9.485 1.00 0.00 O ATOM 59 CB SER A 5 17.098 8.577 -9.754 1.00 0.00 C ATOM 60 OG SER A 5 17.568 9.049 -8.497 1.00 0.00 O ATOM 0 H SER A 5 14.718 8.579 -11.748 1.00 0.00 H new ATOM 0 HA SER A 5 15.058 9.242 -9.572 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.790 7.535 -9.672 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.899 8.616 -10.493 1.00 0.00 H new ATOM 0 HG SER A 5 17.763 10.007 -8.560 1.00 0.00 H new ATOM 66 N ASP A 6 15.521 11.783 -10.705 1.00 0.00 N ATOM 67 CA ASP A 6 15.831 13.240 -10.639 1.00 0.00 C ATOM 68 C ASP A 6 14.597 13.998 -10.144 1.00 0.00 C ATOM 69 O ASP A 6 13.475 13.630 -10.429 1.00 0.00 O ATOM 70 CB ASP A 6 16.216 13.749 -12.030 1.00 0.00 C ATOM 71 CG ASP A 6 17.140 14.961 -11.890 1.00 0.00 C ATOM 72 OD1 ASP A 6 17.080 15.611 -10.859 1.00 0.00 O ATOM 73 OD2 ASP A 6 17.892 15.218 -12.815 1.00 0.00 O ATOM 0 H ASP A 6 14.686 11.541 -11.238 1.00 0.00 H new ATOM 0 HA ASP A 6 16.662 13.403 -9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 6 16.715 12.960 -12.593 1.00 0.00 H new ATOM 0 HB3 ASP A 6 15.322 14.022 -12.590 1.00 0.00 H new ATOM 78 N GLY A 7 14.794 15.053 -9.401 1.00 0.00 N ATOM 79 CA GLY A 7 13.633 15.832 -8.886 1.00 0.00 C ATOM 80 C GLY A 7 13.359 15.433 -7.434 1.00 0.00 C ATOM 81 O GLY A 7 12.989 16.254 -6.619 1.00 0.00 O ATOM 0 H GLY A 7 15.710 15.409 -9.128 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.841 16.900 -8.948 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.752 15.642 -9.500 1.00 0.00 H new ATOM 85 N LEU A 8 13.555 14.179 -7.115 1.00 0.00 N ATOM 86 CA LEU A 8 13.326 13.690 -5.716 1.00 0.00 C ATOM 87 C LEU A 8 12.404 14.646 -4.956 1.00 0.00 C ATOM 88 O LEU A 8 12.860 15.574 -4.318 1.00 0.00 O ATOM 89 CB LEU A 8 14.669 13.604 -4.996 1.00 0.00 C ATOM 90 CG LEU A 8 15.444 12.380 -5.490 1.00 0.00 C ATOM 91 CD1 LEU A 8 14.871 11.116 -4.844 1.00 0.00 C ATOM 92 CD2 LEU A 8 15.315 12.276 -7.011 1.00 0.00 C ATOM 0 H LEU A 8 13.868 13.463 -7.770 1.00 0.00 H new ATOM 0 HA LEU A 8 12.854 12.708 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.248 14.510 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.511 13.536 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 8 16.495 12.482 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.423 10.245 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.961 11.189 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.820 11.013 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.867 11.405 -7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.264 12.174 -7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.723 13.175 -7.473 1.00 0.00 H new ATOM 104 N PRO A 9 11.129 14.381 -5.048 1.00 0.00 N ATOM 105 CA PRO A 9 10.163 15.249 -4.341 1.00 0.00 C ATOM 106 C PRO A 9 10.185 14.942 -2.842 1.00 0.00 C ATOM 107 O PRO A 9 9.438 15.508 -2.069 1.00 0.00 O ATOM 108 CB PRO A 9 8.790 14.912 -4.935 1.00 0.00 C ATOM 109 CG PRO A 9 9.000 13.819 -6.004 1.00 0.00 C ATOM 110 CD PRO A 9 10.502 13.506 -6.060 1.00 0.00 C ATOM 0 HA PRO A 9 10.402 16.306 -4.461 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.112 14.562 -4.157 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.336 15.799 -5.378 1.00 0.00 H new ATOM 0 HG2 PRO A 9 8.432 12.924 -5.753 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.644 14.161 -6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.692 12.455 -5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.907 13.703 -7.053 1.00 0.00 H new ATOM 118 N ASN A 10 11.041 14.048 -2.427 1.00 0.00 N ATOM 119 CA ASN A 10 11.116 13.703 -0.981 1.00 0.00 C ATOM 120 C ASN A 10 12.353 14.359 -0.368 1.00 0.00 C ATOM 121 O ASN A 10 12.440 14.550 0.829 1.00 0.00 O ATOM 122 CB ASN A 10 11.212 12.185 -0.824 1.00 0.00 C ATOM 123 CG ASN A 10 11.743 11.569 -2.119 1.00 0.00 C ATOM 124 OD1 ASN A 10 12.732 12.022 -2.661 1.00 0.00 O ATOM 125 ND2 ASN A 10 11.123 10.548 -2.645 1.00 0.00 N ATOM 0 H ASN A 10 11.691 13.542 -3.028 1.00 0.00 H new ATOM 0 HA ASN A 10 10.222 14.064 -0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.872 11.936 0.007 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.232 11.771 -0.587 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.469 10.132 -3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.293 10.167 -2.191 1.00 0.00 H new ATOM 132 N LYS A 11 13.314 14.706 -1.180 1.00 0.00 N ATOM 133 CA LYS A 11 14.544 15.349 -0.642 1.00 0.00 C ATOM 134 C LYS A 11 15.241 14.379 0.315 1.00 0.00 C ATOM 135 O LYS A 11 16.355 13.955 0.084 1.00 0.00 O ATOM 136 CB LYS A 11 14.159 16.624 0.112 1.00 0.00 C ATOM 137 CG LYS A 11 15.057 17.777 -0.340 1.00 0.00 C ATOM 138 CD LYS A 11 16.494 17.509 0.109 1.00 0.00 C ATOM 139 CE LYS A 11 17.422 18.568 -0.487 1.00 0.00 C ATOM 140 NZ LYS A 11 18.819 18.315 -0.032 1.00 0.00 N ATOM 0 H LYS A 11 13.300 14.572 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 11 15.218 15.601 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.114 16.868 -0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.262 16.469 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.017 17.880 -1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.702 18.717 0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.555 17.528 1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.807 16.515 -0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.372 18.540 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.102 19.563 -0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.452 19.035 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.860 18.362 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.121 17.371 -0.348 1.00 0.00 H new ATOM 154 N LYS A 12 14.588 14.023 1.387 1.00 0.00 N ATOM 155 CA LYS A 12 15.203 13.082 2.358 1.00 0.00 C ATOM 156 C LYS A 12 14.522 11.716 2.239 1.00 0.00 C ATOM 157 O LYS A 12 13.475 11.587 1.636 1.00 0.00 O ATOM 158 CB LYS A 12 15.022 13.626 3.777 1.00 0.00 C ATOM 159 CG LYS A 12 15.508 15.075 3.831 1.00 0.00 C ATOM 160 CD LYS A 12 16.924 15.158 3.260 1.00 0.00 C ATOM 161 CE LYS A 12 17.594 16.447 3.737 1.00 0.00 C ATOM 162 NZ LYS A 12 19.016 16.463 3.291 1.00 0.00 N ATOM 0 H LYS A 12 13.652 14.346 1.631 1.00 0.00 H new ATOM 0 HA LYS A 12 16.267 12.977 2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.973 13.572 4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 12 15.582 13.016 4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.836 15.717 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.497 15.436 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.507 14.294 3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.890 15.135 2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.067 17.313 3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.542 16.516 4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.472 17.340 3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.515 15.644 3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.055 16.416 2.253 1.00 0.00 H new ATOM 176 N ARG A 13 15.105 10.696 2.805 1.00 0.00 N ATOM 177 CA ARG A 13 14.486 9.343 2.720 1.00 0.00 C ATOM 178 C ARG A 13 14.171 9.018 1.257 1.00 0.00 C ATOM 179 O ARG A 13 13.145 8.448 0.945 1.00 0.00 O ATOM 180 CB ARG A 13 13.191 9.325 3.536 1.00 0.00 C ATOM 181 CG ARG A 13 12.601 7.914 3.526 1.00 0.00 C ATOM 182 CD ARG A 13 12.271 7.488 4.958 1.00 0.00 C ATOM 183 NE ARG A 13 11.499 6.215 4.930 1.00 0.00 N ATOM 184 CZ ARG A 13 11.357 5.515 6.021 1.00 0.00 C ATOM 185 NH1 ARG A 13 11.887 5.933 7.138 1.00 0.00 N ATOM 186 NH2 ARG A 13 10.686 4.396 5.995 1.00 0.00 N ATOM 0 H ARG A 13 15.983 10.740 3.323 1.00 0.00 H new ATOM 0 HA ARG A 13 15.178 8.600 3.117 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.390 9.640 4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.475 10.033 3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.701 7.889 2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.310 7.215 3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.189 7.357 5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.693 8.266 5.456 1.00 0.00 H new ATOM 0 HE ARG A 13 11.081 5.891 4.058 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.412 6.807 7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.776 5.386 7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.273 4.069 5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.575 3.848 6.848 1.00 0.00 H new ATOM 200 N LYS A 14 15.045 9.381 0.359 1.00 0.00 N ATOM 201 CA LYS A 14 14.794 9.099 -1.083 1.00 0.00 C ATOM 202 C LYS A 14 14.521 7.606 -1.282 1.00 0.00 C ATOM 203 O LYS A 14 13.485 7.221 -1.784 1.00 0.00 O ATOM 204 CB LYS A 14 16.020 9.506 -1.901 1.00 0.00 C ATOM 205 CG LYS A 14 17.274 8.872 -1.295 1.00 0.00 C ATOM 206 CD LYS A 14 18.447 9.845 -1.421 1.00 0.00 C ATOM 207 CE LYS A 14 19.661 9.282 -0.680 1.00 0.00 C ATOM 208 NZ LYS A 14 20.900 9.929 -1.195 1.00 0.00 N ATOM 0 H LYS A 14 15.922 9.861 0.561 1.00 0.00 H new ATOM 0 HA LYS A 14 13.926 9.669 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 14 15.902 9.186 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 14 16.118 10.592 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 14 17.101 8.628 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 14 17.506 7.938 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.690 10.003 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.174 10.816 -1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 14 19.562 9.461 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.717 8.202 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 21.726 9.547 -0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 20.995 9.736 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 20.845 10.956 -1.041 1.00 0.00 H new ATOM 222 N ARG A 15 15.446 6.764 -0.900 1.00 0.00 N ATOM 223 CA ARG A 15 15.245 5.299 -1.076 1.00 0.00 C ATOM 224 C ARG A 15 13.760 4.960 -0.935 1.00 0.00 C ATOM 225 O ARG A 15 13.250 4.793 0.155 1.00 0.00 O ATOM 226 CB ARG A 15 16.040 4.537 -0.015 1.00 0.00 C ATOM 227 CG ARG A 15 15.662 3.056 -0.069 1.00 0.00 C ATOM 228 CD ARG A 15 16.769 2.218 0.574 1.00 0.00 C ATOM 229 NE ARG A 15 18.080 2.580 -0.035 1.00 0.00 N ATOM 230 CZ ARG A 15 19.190 2.202 0.536 1.00 0.00 C ATOM 231 NH1 ARG A 15 19.153 1.509 1.642 1.00 0.00 N ATOM 232 NH2 ARG A 15 20.337 2.516 -0.001 1.00 0.00 N ATOM 0 H ARG A 15 16.333 7.031 -0.473 1.00 0.00 H new ATOM 0 HA ARG A 15 15.592 5.010 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 15 17.109 4.658 -0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 15 15.830 4.942 0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.719 2.892 0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.512 2.746 -1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 15 16.794 2.393 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 15 16.568 1.157 0.428 1.00 0.00 H new ATOM 0 HE ARG A 15 18.109 3.123 -0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 15 18.256 1.263 2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 15 20.021 1.214 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 15 20.364 3.056 -0.866 1.00 0.00 H new ATOM 0 HH22 ARG A 15 21.206 2.221 0.444 1.00 0.00 H new ATOM 246 N ARG A 16 13.062 4.858 -2.033 1.00 0.00 N ATOM 247 CA ARG A 16 11.612 4.531 -1.969 1.00 0.00 C ATOM 248 C ARG A 16 11.422 3.041 -2.269 1.00 0.00 C ATOM 249 O ARG A 16 12.312 2.379 -2.763 1.00 0.00 O ATOM 250 CB ARG A 16 10.861 5.381 -3.003 1.00 0.00 C ATOM 251 CG ARG A 16 9.686 4.587 -3.582 1.00 0.00 C ATOM 252 CD ARG A 16 8.858 5.494 -4.496 1.00 0.00 C ATOM 253 NE ARG A 16 7.675 6.005 -3.749 1.00 0.00 N ATOM 254 CZ ARG A 16 6.995 7.016 -4.217 1.00 0.00 C ATOM 255 NH1 ARG A 16 7.351 7.580 -5.338 1.00 0.00 N ATOM 256 NH2 ARG A 16 5.958 7.463 -3.563 1.00 0.00 N ATOM 0 H ARG A 16 13.436 4.988 -2.973 1.00 0.00 H new ATOM 0 HA ARG A 16 11.219 4.748 -0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.497 6.297 -2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.539 5.678 -3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.055 3.728 -4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.063 4.199 -2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.467 6.327 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.534 4.941 -5.378 1.00 0.00 H new ATOM 0 HE ARG A 16 7.396 5.565 -2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.161 7.231 -5.850 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.819 8.370 -5.703 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.679 7.022 -2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.426 8.253 -3.928 1.00 0.00 H new ATOM 270 N VAL A 17 10.267 2.509 -1.976 1.00 0.00 N ATOM 271 CA VAL A 17 10.023 1.066 -2.246 1.00 0.00 C ATOM 272 C VAL A 17 8.565 0.862 -2.662 1.00 0.00 C ATOM 273 O VAL A 17 7.664 1.469 -2.117 1.00 0.00 O ATOM 274 CB VAL A 17 10.313 0.256 -0.981 1.00 0.00 C ATOM 275 CG1 VAL A 17 10.166 -1.236 -1.284 1.00 0.00 C ATOM 276 CG2 VAL A 17 11.739 0.546 -0.514 1.00 0.00 C ATOM 0 H VAL A 17 9.483 3.012 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 17 10.678 0.731 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 17 9.608 0.535 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.373 -1.812 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.150 -1.441 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.871 -1.520 -2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.951 -0.029 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 17 12.443 0.265 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.842 1.610 -0.299 1.00 0.00 H new ATOM 286 N LEU A 18 8.325 0.013 -3.623 1.00 0.00 N ATOM 287 CA LEU A 18 6.925 -0.225 -4.070 1.00 0.00 C ATOM 288 C LEU A 18 6.356 -1.443 -3.346 1.00 0.00 C ATOM 289 O LEU A 18 6.576 -1.644 -2.170 1.00 0.00 O ATOM 290 CB LEU A 18 6.895 -0.491 -5.577 1.00 0.00 C ATOM 291 CG LEU A 18 8.139 0.081 -6.239 1.00 0.00 C ATOM 292 CD1 LEU A 18 8.391 1.504 -5.737 1.00 0.00 C ATOM 293 CD2 LEU A 18 9.348 -0.802 -5.917 1.00 0.00 C ATOM 0 H LEU A 18 9.037 -0.525 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 18 6.329 0.658 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.836 -1.563 -5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.003 -0.043 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 18 7.988 0.106 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.284 1.906 -6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.534 2.133 -5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.535 1.489 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.237 -0.389 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.497 -0.836 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.172 -1.811 -6.291 1.00 0.00 H new ATOM 305 N PHE A 19 5.629 -2.259 -4.056 1.00 0.00 N ATOM 306 CA PHE A 19 5.035 -3.478 -3.435 1.00 0.00 C ATOM 307 C PHE A 19 4.625 -4.455 -4.541 1.00 0.00 C ATOM 308 O PHE A 19 4.508 -4.086 -5.692 1.00 0.00 O ATOM 309 CB PHE A 19 3.789 -3.091 -2.631 1.00 0.00 C ATOM 310 CG PHE A 19 4.165 -2.181 -1.485 1.00 0.00 C ATOM 311 CD1 PHE A 19 5.069 -2.619 -0.510 1.00 0.00 C ATOM 312 CD2 PHE A 19 3.599 -0.902 -1.392 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.411 -1.777 0.557 1.00 0.00 C ATOM 314 CE2 PHE A 19 3.940 -0.060 -0.325 1.00 0.00 C ATOM 315 CZ PHE A 19 4.847 -0.499 0.649 1.00 0.00 C ATOM 0 H PHE A 19 5.419 -2.134 -5.046 1.00 0.00 H new ATOM 0 HA PHE A 19 5.768 -3.942 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.070 -2.591 -3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.303 -3.988 -2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.503 -3.606 -0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.900 -0.565 -2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.110 -2.114 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.505 0.926 -0.253 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.111 0.149 1.471 1.00 0.00 H new ATOM 325 N THR A 20 4.384 -5.693 -4.200 1.00 0.00 N ATOM 326 CA THR A 20 3.959 -6.676 -5.237 1.00 0.00 C ATOM 327 C THR A 20 2.646 -6.171 -5.871 1.00 0.00 C ATOM 328 O THR A 20 1.685 -5.966 -5.155 1.00 0.00 O ATOM 329 CB THR A 20 3.701 -8.027 -4.567 1.00 0.00 C ATOM 330 OG1 THR A 20 2.635 -7.897 -3.639 1.00 0.00 O ATOM 331 CG2 THR A 20 4.966 -8.485 -3.837 1.00 0.00 C ATOM 0 H THR A 20 4.463 -6.064 -3.253 1.00 0.00 H new ATOM 0 HA THR A 20 4.732 -6.785 -5.998 1.00 0.00 H new ATOM 0 HB THR A 20 3.434 -8.765 -5.324 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.415 -8.777 -3.268 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.782 -9.448 -3.360 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.783 -8.585 -4.552 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.235 -7.749 -3.079 1.00 0.00 H new ATOM 339 N LYS A 21 2.553 -5.959 -7.179 1.00 0.00 N ATOM 340 CA LYS A 21 1.256 -5.481 -7.726 1.00 0.00 C ATOM 341 C LYS A 21 0.155 -6.257 -7.019 1.00 0.00 C ATOM 342 O LYS A 21 -0.985 -5.850 -6.966 1.00 0.00 O ATOM 343 CB LYS A 21 1.188 -5.739 -9.234 1.00 0.00 C ATOM 344 CG LYS A 21 -0.094 -5.116 -9.797 1.00 0.00 C ATOM 345 CD LYS A 21 -0.518 -5.864 -11.063 1.00 0.00 C ATOM 346 CE LYS A 21 -1.707 -6.773 -10.744 1.00 0.00 C ATOM 347 NZ LYS A 21 -2.269 -7.317 -12.013 1.00 0.00 N ATOM 0 H LYS A 21 3.302 -6.096 -7.858 1.00 0.00 H new ATOM 0 HA LYS A 21 1.144 -4.409 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.061 -5.312 -9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.203 -6.811 -9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.889 -5.161 -9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.071 -4.063 -10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.789 -5.154 -11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.314 -6.456 -11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.391 -7.589 -10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.472 -6.214 -10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.077 -7.935 -11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.585 -6.532 -12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.538 -7.864 -12.510 1.00 0.00 H new ATOM 361 N ALA A 22 0.522 -7.370 -6.449 1.00 0.00 N ATOM 362 CA ALA A 22 -0.449 -8.203 -5.700 1.00 0.00 C ATOM 363 C ALA A 22 -0.797 -7.482 -4.402 1.00 0.00 C ATOM 364 O ALA A 22 -1.919 -7.077 -4.180 1.00 0.00 O ATOM 365 CB ALA A 22 0.215 -9.538 -5.379 1.00 0.00 C ATOM 0 H ALA A 22 1.472 -7.741 -6.473 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.354 -8.370 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.483 -10.168 -4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.498 -10.036 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.105 -9.366 -4.774 1.00 0.00 H new ATOM 371 N GLN A 23 0.166 -7.292 -3.545 1.00 0.00 N ATOM 372 CA GLN A 23 -0.117 -6.561 -2.286 1.00 0.00 C ATOM 373 C GLN A 23 -0.923 -5.331 -2.663 1.00 0.00 C ATOM 374 O GLN A 23 -2.138 -5.320 -2.637 1.00 0.00 O ATOM 375 CB GLN A 23 1.198 -6.098 -1.662 1.00 0.00 C ATOM 376 CG GLN A 23 1.991 -7.306 -1.160 1.00 0.00 C ATOM 377 CD GLN A 23 3.486 -7.074 -1.391 1.00 0.00 C ATOM 378 OE1 GLN A 23 3.873 -6.117 -2.032 1.00 0.00 O ATOM 379 NE2 GLN A 23 4.350 -7.915 -0.891 1.00 0.00 N ATOM 0 H GLN A 23 1.128 -7.609 -3.663 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.651 -7.197 -1.580 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.785 -5.547 -2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.998 -5.415 -0.836 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.797 -7.465 -0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.668 -8.207 -1.681 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.027 -8.719 -0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.349 -7.768 -1.039 1.00 0.00 H new ATOM 388 N THR A 24 -0.226 -4.303 -3.047 1.00 0.00 N ATOM 389 CA THR A 24 -0.878 -3.048 -3.480 1.00 0.00 C ATOM 390 C THR A 24 -2.253 -3.344 -4.068 1.00 0.00 C ATOM 391 O THR A 24 -3.167 -2.563 -3.922 1.00 0.00 O ATOM 392 CB THR A 24 -0.010 -2.419 -4.557 1.00 0.00 C ATOM 393 OG1 THR A 24 1.149 -1.858 -3.960 1.00 0.00 O ATOM 394 CG2 THR A 24 -0.790 -1.325 -5.283 1.00 0.00 C ATOM 0 H THR A 24 0.793 -4.283 -3.078 1.00 0.00 H new ATOM 0 HA THR A 24 -0.995 -2.379 -2.627 1.00 0.00 H new ATOM 0 HB THR A 24 0.281 -3.185 -5.275 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.711 -1.453 -4.653 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.160 -0.879 -6.053 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.678 -1.757 -5.745 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.089 -0.557 -4.570 1.00 0.00 H new ATOM 402 N TYR A 25 -2.423 -4.462 -4.737 1.00 0.00 N ATOM 403 CA TYR A 25 -3.752 -4.756 -5.313 1.00 0.00 C ATOM 404 C TYR A 25 -4.692 -5.106 -4.159 1.00 0.00 C ATOM 405 O TYR A 25 -5.528 -4.317 -3.768 1.00 0.00 O ATOM 406 CB TYR A 25 -3.645 -5.922 -6.302 1.00 0.00 C ATOM 407 CG TYR A 25 -4.838 -6.719 -6.263 1.00 0.00 C ATOM 408 CD1 TYR A 25 -5.927 -6.328 -6.993 1.00 0.00 C ATOM 409 CD2 TYR A 25 -4.823 -7.872 -5.538 1.00 0.00 C ATOM 410 CE1 TYR A 25 -7.048 -7.106 -6.991 1.00 0.00 C ATOM 411 CE2 TYR A 25 -5.934 -8.672 -5.527 1.00 0.00 C ATOM 412 CZ TYR A 25 -7.070 -8.299 -6.257 1.00 0.00 C ATOM 413 OH TYR A 25 -8.197 -9.096 -6.254 1.00 0.00 O ATOM 0 H TYR A 25 -1.704 -5.167 -4.901 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.138 -3.894 -5.857 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.488 -5.539 -7.310 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.780 -6.538 -6.056 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.900 -5.412 -7.565 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.943 -8.152 -4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.918 -6.802 -7.555 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.935 -9.589 -4.957 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.038 -9.885 -5.694 1.00 0.00 H new ATOM 423 N GLU A 26 -4.532 -6.266 -3.579 1.00 0.00 N ATOM 424 CA GLU A 26 -5.388 -6.627 -2.417 1.00 0.00 C ATOM 425 C GLU A 26 -5.422 -5.414 -1.502 1.00 0.00 C ATOM 426 O GLU A 26 -6.461 -4.906 -1.135 1.00 0.00 O ATOM 427 CB GLU A 26 -4.739 -7.776 -1.649 1.00 0.00 C ATOM 428 CG GLU A 26 -5.289 -9.135 -2.082 1.00 0.00 C ATOM 429 CD GLU A 26 -6.821 -9.122 -2.078 1.00 0.00 C ATOM 430 OE1 GLU A 26 -7.385 -8.361 -1.309 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.401 -9.872 -2.845 1.00 0.00 O ATOM 0 H GLU A 26 -3.851 -6.972 -3.858 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.384 -6.921 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.661 -7.754 -1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.908 -7.640 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.925 -9.380 -3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.925 -9.912 -1.410 1.00 0.00 H new ATOM 438 N LEU A 27 -4.257 -4.946 -1.153 1.00 0.00 N ATOM 439 CA LEU A 27 -4.136 -3.761 -0.282 1.00 0.00 C ATOM 440 C LEU A 27 -4.992 -2.635 -0.868 1.00 0.00 C ATOM 441 O LEU A 27 -5.598 -1.865 -0.150 1.00 0.00 O ATOM 442 CB LEU A 27 -2.659 -3.386 -0.251 1.00 0.00 C ATOM 443 CG LEU A 27 -2.438 -2.041 0.437 1.00 0.00 C ATOM 444 CD1 LEU A 27 -2.382 -2.233 1.957 1.00 0.00 C ATOM 445 CD2 LEU A 27 -1.113 -1.465 -0.063 1.00 0.00 C ATOM 0 H LEU A 27 -3.367 -5.350 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.485 -3.951 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.097 -4.160 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.272 -3.343 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.258 -1.361 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.224 -1.269 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.321 -2.663 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.561 -2.904 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.932 -0.502 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.302 -2.151 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.159 -1.331 -1.144 1.00 0.00 H new ATOM 457 N GLU A 28 -5.072 -2.553 -2.172 1.00 0.00 N ATOM 458 CA GLU A 28 -5.916 -1.505 -2.798 1.00 0.00 C ATOM 459 C GLU A 28 -7.368 -1.966 -2.718 1.00 0.00 C ATOM 460 O GLU A 28 -8.259 -1.213 -2.376 1.00 0.00 O ATOM 461 CB GLU A 28 -5.522 -1.337 -4.265 1.00 0.00 C ATOM 462 CG GLU A 28 -4.420 -0.283 -4.385 1.00 0.00 C ATOM 463 CD GLU A 28 -5.047 1.075 -4.709 1.00 0.00 C ATOM 464 OE1 GLU A 28 -6.188 1.283 -4.329 1.00 0.00 O ATOM 465 OE2 GLU A 28 -4.376 1.881 -5.332 1.00 0.00 O ATOM 0 H GLU A 28 -4.588 -3.169 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.783 -0.553 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.175 -2.288 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.390 -1.038 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.857 -0.223 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.715 -0.566 -5.167 1.00 0.00 H new ATOM 472 N ARG A 29 -7.605 -3.216 -3.018 1.00 0.00 N ATOM 473 CA ARG A 29 -8.988 -3.754 -2.947 1.00 0.00 C ATOM 474 C ARG A 29 -9.570 -3.407 -1.577 1.00 0.00 C ATOM 475 O ARG A 29 -10.734 -3.083 -1.448 1.00 0.00 O ATOM 476 CB ARG A 29 -8.948 -5.273 -3.134 1.00 0.00 C ATOM 477 CG ARG A 29 -8.747 -5.606 -4.616 1.00 0.00 C ATOM 478 CD ARG A 29 -9.781 -6.645 -5.053 1.00 0.00 C ATOM 479 NE ARG A 29 -9.718 -7.822 -4.140 1.00 0.00 N ATOM 480 CZ ARG A 29 -10.692 -8.690 -4.129 1.00 0.00 C ATOM 481 NH1 ARG A 29 -11.718 -8.531 -4.920 1.00 0.00 N ATOM 482 NH2 ARG A 29 -10.641 -9.719 -3.328 1.00 0.00 N ATOM 0 H ARG A 29 -6.895 -3.887 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.609 -3.320 -3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.139 -5.701 -2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.876 -5.718 -2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.846 -4.703 -5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.740 -5.989 -4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.780 -6.210 -5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.588 -6.957 -6.080 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.914 -7.948 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.759 -7.728 -5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.479 -9.210 -4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.839 -9.845 -2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.403 -10.397 -3.320 1.00 0.00 H new ATOM 496 N ARG A 30 -8.760 -3.448 -0.553 1.00 0.00 N ATOM 497 CA ARG A 30 -9.262 -3.091 0.801 1.00 0.00 C ATOM 498 C ARG A 30 -9.816 -1.666 0.731 1.00 0.00 C ATOM 499 O ARG A 30 -10.829 -1.343 1.320 1.00 0.00 O ATOM 500 CB ARG A 30 -8.100 -3.134 1.804 1.00 0.00 C ATOM 501 CG ARG A 30 -8.493 -3.897 3.080 1.00 0.00 C ATOM 502 CD ARG A 30 -9.928 -3.566 3.498 1.00 0.00 C ATOM 503 NE ARG A 30 -10.820 -4.710 3.161 1.00 0.00 N ATOM 504 CZ ARG A 30 -11.992 -4.810 3.726 1.00 0.00 C ATOM 505 NH1 ARG A 30 -12.369 -3.923 4.603 1.00 0.00 N ATOM 506 NH2 ARG A 30 -12.780 -5.805 3.422 1.00 0.00 N ATOM 0 H ARG A 30 -7.776 -3.713 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.034 -3.791 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.236 -3.612 1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.802 -2.118 2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.398 -4.970 2.910 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.807 -3.640 3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.969 -3.362 4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.268 -2.664 2.989 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.515 -5.415 2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.748 -3.151 4.847 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.285 -4.000 5.045 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.480 -6.504 2.743 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.696 -5.883 3.864 1.00 0.00 H new ATOM 520 N PHE A 31 -9.148 -0.816 -0.005 1.00 0.00 N ATOM 521 CA PHE A 31 -9.611 0.592 -0.144 1.00 0.00 C ATOM 522 C PHE A 31 -11.090 0.605 -0.535 1.00 0.00 C ATOM 523 O PHE A 31 -11.773 1.600 -0.385 1.00 0.00 O ATOM 524 CB PHE A 31 -8.781 1.289 -1.227 1.00 0.00 C ATOM 525 CG PHE A 31 -8.982 2.782 -1.142 1.00 0.00 C ATOM 526 CD1 PHE A 31 -10.047 3.388 -1.821 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.099 3.565 -0.387 1.00 0.00 C ATOM 528 CE1 PHE A 31 -10.229 4.773 -1.744 1.00 0.00 C ATOM 529 CE2 PHE A 31 -8.280 4.950 -0.311 1.00 0.00 C ATOM 530 CZ PHE A 31 -9.345 5.555 -0.990 1.00 0.00 C ATOM 0 H PHE A 31 -8.296 -1.041 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.487 1.118 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.726 1.047 -1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.076 0.928 -2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.728 2.786 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.278 3.099 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.051 5.239 -2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.599 5.553 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.485 6.624 -0.932 1.00 0.00 H new ATOM 540 N ARG A 32 -11.595 -0.494 -1.029 1.00 0.00 N ATOM 541 CA ARG A 32 -13.031 -0.546 -1.417 1.00 0.00 C ATOM 542 C ARG A 32 -13.870 -0.933 -0.199 1.00 0.00 C ATOM 543 O ARG A 32 -14.432 -0.088 0.469 1.00 0.00 O ATOM 544 CB ARG A 32 -13.220 -1.569 -2.528 1.00 0.00 C ATOM 545 CG ARG A 32 -12.725 -0.966 -3.844 1.00 0.00 C ATOM 546 CD ARG A 32 -11.232 -1.256 -4.019 1.00 0.00 C ATOM 547 NE ARG A 32 -10.517 -0.003 -4.413 1.00 0.00 N ATOM 548 CZ ARG A 32 -11.026 0.806 -5.304 1.00 0.00 C ATOM 549 NH1 ARG A 32 -12.131 0.494 -5.925 1.00 0.00 N ATOM 550 NH2 ARG A 32 -10.414 1.923 -5.591 1.00 0.00 N ATOM 0 H ARG A 32 -11.073 -1.357 -1.180 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.351 0.432 -1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.668 -2.481 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.271 -1.845 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.286 -1.384 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.899 0.110 -3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.816 -1.646 -3.090 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.088 -2.023 -4.780 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.621 0.223 -3.981 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.603 -0.386 -5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.523 1.130 -6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.541 2.162 -5.120 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.809 2.557 -6.286 1.00 0.00 H new ATOM 564 N GLN A 33 -13.952 -2.200 0.113 1.00 0.00 N ATOM 565 CA GLN A 33 -14.746 -2.614 1.306 1.00 0.00 C ATOM 566 C GLN A 33 -14.446 -1.642 2.447 1.00 0.00 C ATOM 567 O GLN A 33 -15.207 -1.500 3.382 1.00 0.00 O ATOM 568 CB GLN A 33 -14.350 -4.033 1.720 1.00 0.00 C ATOM 569 CG GLN A 33 -14.893 -5.033 0.699 1.00 0.00 C ATOM 570 CD GLN A 33 -16.416 -4.913 0.623 1.00 0.00 C ATOM 571 OE1 GLN A 33 -17.099 -5.051 1.618 1.00 0.00 O ATOM 572 NE2 GLN A 33 -16.981 -4.659 -0.526 1.00 0.00 N ATOM 0 H GLN A 33 -13.507 -2.960 -0.402 1.00 0.00 H new ATOM 0 HA GLN A 33 -15.810 -2.599 1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -13.265 -4.115 1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -14.745 -4.258 2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -14.454 -4.843 -0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -14.612 -6.047 0.983 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -16.408 -4.543 -1.362 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -17.996 -4.576 -0.588 1.00 0.00 H new ATOM 581 N GLN A 34 -13.339 -0.960 2.353 1.00 0.00 N ATOM 582 CA GLN A 34 -12.957 0.028 3.391 1.00 0.00 C ATOM 583 C GLN A 34 -12.280 1.197 2.682 1.00 0.00 C ATOM 584 O GLN A 34 -11.405 1.015 1.862 1.00 0.00 O ATOM 585 CB GLN A 34 -11.982 -0.601 4.390 1.00 0.00 C ATOM 586 CG GLN A 34 -11.965 0.218 5.681 1.00 0.00 C ATOM 587 CD GLN A 34 -13.301 0.041 6.406 1.00 0.00 C ATOM 588 OE1 GLN A 34 -13.910 -1.112 6.352 1.00 0.00 O flip ATOM 589 NE2 GLN A 34 -13.794 0.959 7.030 1.00 0.00 N flip ATOM 0 H GLN A 34 -12.673 -1.050 1.585 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.838 0.361 3.939 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.278 -1.628 4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.981 -0.640 3.960 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.144 -0.106 6.321 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.796 1.271 5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.318 1.860 7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.684 0.829 7.512 1.00 0.00 H new ATOM 598 N ARG A 35 -12.687 2.391 2.975 1.00 0.00 N ATOM 599 CA ARG A 35 -12.082 3.571 2.304 1.00 0.00 C ATOM 600 C ARG A 35 -11.167 4.289 3.284 1.00 0.00 C ATOM 601 O ARG A 35 -10.506 5.249 2.946 1.00 0.00 O ATOM 602 CB ARG A 35 -13.189 4.522 1.848 1.00 0.00 C ATOM 603 CG ARG A 35 -14.516 4.089 2.471 1.00 0.00 C ATOM 604 CD ARG A 35 -15.650 4.934 1.896 1.00 0.00 C ATOM 605 NE ARG A 35 -16.894 4.116 1.836 1.00 0.00 N ATOM 606 CZ ARG A 35 -18.051 4.696 1.672 1.00 0.00 C ATOM 607 NH1 ARG A 35 -18.121 5.995 1.572 1.00 0.00 N ATOM 608 NH2 ARG A 35 -19.138 3.977 1.612 1.00 0.00 N ATOM 0 H ARG A 35 -13.417 2.606 3.654 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.507 3.245 1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.951 5.544 2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.265 4.515 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.697 3.033 2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.476 4.204 3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -15.811 5.816 2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -15.386 5.288 0.900 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.841 3.101 1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.271 6.557 1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -19.026 6.449 1.444 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.083 2.962 1.693 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -20.043 4.430 1.484 1.00 0.00 H new ATOM 622 N TYR A 36 -11.125 3.830 4.500 1.00 0.00 N ATOM 623 CA TYR A 36 -10.251 4.493 5.499 1.00 0.00 C ATOM 624 C TYR A 36 -9.647 3.451 6.445 1.00 0.00 C ATOM 625 O TYR A 36 -9.666 3.620 7.647 1.00 0.00 O ATOM 626 CB TYR A 36 -11.070 5.513 6.300 1.00 0.00 C ATOM 627 CG TYR A 36 -12.547 5.253 6.111 1.00 0.00 C ATOM 628 CD1 TYR A 36 -13.076 3.977 6.341 1.00 0.00 C ATOM 629 CD2 TYR A 36 -13.390 6.297 5.710 1.00 0.00 C ATOM 630 CE1 TYR A 36 -14.447 3.745 6.167 1.00 0.00 C ATOM 631 CE2 TYR A 36 -14.759 6.065 5.538 1.00 0.00 C ATOM 632 CZ TYR A 36 -15.288 4.789 5.766 1.00 0.00 C ATOM 633 OH TYR A 36 -16.638 4.561 5.595 1.00 0.00 O ATOM 0 H TYR A 36 -11.655 3.029 4.843 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.441 5.007 4.981 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.813 5.448 7.357 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -10.826 6.524 5.974 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -12.427 3.172 6.653 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -12.983 7.282 5.533 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -14.855 2.760 6.342 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.408 6.871 5.229 1.00 0.00 H new ATOM 0 HH TYR A 36 -17.077 5.391 5.316 1.00 0.00 H new ATOM 643 N LEU A 37 -9.101 2.380 5.912 1.00 0.00 N ATOM 644 CA LEU A 37 -8.483 1.341 6.796 1.00 0.00 C ATOM 645 C LEU A 37 -7.952 2.031 8.046 1.00 0.00 C ATOM 646 O LEU A 37 -7.120 2.914 7.978 1.00 0.00 O ATOM 647 CB LEU A 37 -7.319 0.653 6.073 1.00 0.00 C ATOM 648 CG LEU A 37 -7.644 -0.832 5.824 1.00 0.00 C ATOM 649 CD1 LEU A 37 -8.828 -0.930 4.884 1.00 0.00 C ATOM 650 CD2 LEU A 37 -6.437 -1.537 5.180 1.00 0.00 C ATOM 0 H LEU A 37 -9.058 2.183 4.912 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.230 0.591 7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.125 1.153 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.411 0.738 6.670 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.876 -1.311 6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.063 -1.979 4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.690 -0.437 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.583 -0.445 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.677 -2.586 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.201 -1.059 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.577 -1.466 5.845 1.00 0.00 H new ATOM 662 N SER A 38 -8.434 1.645 9.181 1.00 0.00 N ATOM 663 CA SER A 38 -7.981 2.272 10.434 1.00 0.00 C ATOM 664 C SER A 38 -6.929 1.387 11.069 1.00 0.00 C ATOM 665 O SER A 38 -6.099 0.803 10.405 1.00 0.00 O ATOM 666 CB SER A 38 -9.168 2.414 11.387 1.00 0.00 C ATOM 667 OG SER A 38 -9.714 1.127 11.649 1.00 0.00 O ATOM 0 H SER A 38 -9.133 0.911 9.294 1.00 0.00 H new ATOM 0 HA SER A 38 -7.563 3.257 10.228 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.848 2.883 12.318 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.927 3.062 10.948 1.00 0.00 H new ATOM 0 HG SER A 38 -10.475 1.213 12.261 1.00 0.00 H new ATOM 673 N ALA A 39 -6.971 1.282 12.348 1.00 0.00 N ATOM 674 CA ALA A 39 -5.990 0.429 13.058 1.00 0.00 C ATOM 675 C ALA A 39 -6.514 -1.012 13.120 1.00 0.00 C ATOM 676 O ALA A 39 -5.744 -1.951 13.161 1.00 0.00 O ATOM 677 CB ALA A 39 -5.754 0.983 14.464 1.00 0.00 C ATOM 0 H ALA A 39 -7.648 1.753 12.947 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.041 0.430 12.521 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.032 0.355 14.986 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.367 2.000 14.394 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.694 0.990 15.015 1.00 0.00 H new ATOM 683 N PRO A 40 -7.822 -1.137 13.130 1.00 0.00 N ATOM 684 CA PRO A 40 -8.412 -2.488 13.193 1.00 0.00 C ATOM 685 C PRO A 40 -8.898 -3.009 11.836 1.00 0.00 C ATOM 686 O PRO A 40 -9.213 -4.175 11.699 1.00 0.00 O ATOM 687 CB PRO A 40 -9.572 -2.418 14.149 1.00 0.00 C ATOM 688 CG PRO A 40 -9.671 -0.979 14.557 1.00 0.00 C ATOM 689 CD PRO A 40 -8.405 -0.261 14.148 1.00 0.00 C ATOM 0 HA PRO A 40 -7.641 -3.185 13.521 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.493 -2.755 13.673 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.407 -3.060 15.014 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.537 -0.513 14.086 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -9.815 -0.903 15.635 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.618 0.730 13.748 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.731 -0.126 14.994 1.00 0.00 H new ATOM 697 N GLU A 41 -8.979 -2.178 10.831 1.00 0.00 N ATOM 698 CA GLU A 41 -9.459 -2.666 9.518 1.00 0.00 C ATOM 699 C GLU A 41 -8.279 -3.203 8.748 1.00 0.00 C ATOM 700 O GLU A 41 -8.385 -4.102 7.938 1.00 0.00 O ATOM 701 CB GLU A 41 -10.059 -1.498 8.747 1.00 0.00 C ATOM 702 CG GLU A 41 -11.568 -1.596 8.758 1.00 0.00 C ATOM 703 CD GLU A 41 -12.073 -1.696 10.198 1.00 0.00 C ATOM 704 OE1 GLU A 41 -11.352 -1.274 11.087 1.00 0.00 O ATOM 705 OE2 GLU A 41 -13.169 -2.194 10.388 1.00 0.00 O ATOM 0 H GLU A 41 -8.734 -1.189 10.868 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.209 -3.445 9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.744 -0.555 9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.693 -1.502 7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.001 -0.722 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.889 -2.469 8.190 1.00 0.00 H new ATOM 712 N ARG A 42 -7.156 -2.611 8.978 1.00 0.00 N ATOM 713 CA ARG A 42 -5.946 -3.010 8.254 1.00 0.00 C ATOM 714 C ARG A 42 -5.230 -4.165 8.965 1.00 0.00 C ATOM 715 O ARG A 42 -4.503 -4.918 8.350 1.00 0.00 O ATOM 716 CB ARG A 42 -5.090 -1.781 8.100 1.00 0.00 C ATOM 717 CG ARG A 42 -4.434 -1.430 9.398 1.00 0.00 C ATOM 718 CD ARG A 42 -2.982 -1.883 9.404 1.00 0.00 C ATOM 719 NE ARG A 42 -2.634 -2.379 10.768 1.00 0.00 N ATOM 720 CZ ARG A 42 -2.824 -1.634 11.815 1.00 0.00 C ATOM 721 NH1 ARG A 42 -3.222 -0.402 11.671 1.00 0.00 N ATOM 722 NH2 ARG A 42 -2.587 -2.109 13.007 1.00 0.00 N ATOM 0 H ARG A 42 -7.027 -1.854 9.650 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.189 -3.398 7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.330 -1.954 7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.701 -0.946 7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.485 -0.353 9.558 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.971 -1.900 10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.830 -2.671 8.667 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.328 -1.056 9.126 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.242 -3.314 10.879 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.384 -0.024 10.737 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.372 0.185 12.492 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.252 -3.066 13.117 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.737 -1.523 13.828 1.00 0.00 H new ATOM 736 N GLU A 43 -5.469 -4.359 10.236 1.00 0.00 N ATOM 737 CA GLU A 43 -4.838 -5.521 10.927 1.00 0.00 C ATOM 738 C GLU A 43 -5.404 -6.776 10.265 1.00 0.00 C ATOM 739 O GLU A 43 -4.899 -7.870 10.423 1.00 0.00 O ATOM 740 CB GLU A 43 -5.196 -5.500 12.408 1.00 0.00 C ATOM 741 CG GLU A 43 -4.154 -4.672 13.154 1.00 0.00 C ATOM 742 CD GLU A 43 -3.153 -5.603 13.842 1.00 0.00 C ATOM 743 OE1 GLU A 43 -3.588 -6.444 14.611 1.00 0.00 O ATOM 744 OE2 GLU A 43 -1.968 -5.460 13.586 1.00 0.00 O ATOM 0 H GLU A 43 -6.066 -3.772 10.818 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.751 -5.490 10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.189 -5.074 12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.225 -6.515 12.804 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.634 -4.012 12.459 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.642 -4.036 13.893 1.00 0.00 H new ATOM 751 N HIS A 44 -6.431 -6.603 9.472 1.00 0.00 N ATOM 752 CA HIS A 44 -7.003 -7.754 8.729 1.00 0.00 C ATOM 753 C HIS A 44 -6.164 -7.865 7.462 1.00 0.00 C ATOM 754 O HIS A 44 -5.627 -8.906 7.139 1.00 0.00 O ATOM 755 CB HIS A 44 -8.470 -7.487 8.379 1.00 0.00 C ATOM 756 CG HIS A 44 -9.334 -8.538 9.020 1.00 0.00 C ATOM 757 ND1 HIS A 44 -9.406 -9.834 8.532 1.00 0.00 N ATOM 758 CD2 HIS A 44 -10.163 -8.502 10.114 1.00 0.00 C ATOM 759 CE1 HIS A 44 -10.252 -10.518 9.324 1.00 0.00 C ATOM 760 NE2 HIS A 44 -10.742 -9.754 10.304 1.00 0.00 N ATOM 0 H HIS A 44 -6.896 -5.710 9.310 1.00 0.00 H new ATOM 0 HA HIS A 44 -6.980 -8.673 9.315 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.764 -6.497 8.727 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.606 -7.499 7.298 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.339 -7.635 10.733 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -10.504 -11.559 9.184 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -11.399 -10.029 11.034 1.00 0.00 H new ATOM 768 N LEU A 45 -5.978 -6.755 6.793 1.00 0.00 N ATOM 769 CA LEU A 45 -5.093 -6.742 5.601 1.00 0.00 C ATOM 770 C LEU A 45 -3.847 -7.466 6.030 1.00 0.00 C ATOM 771 O LEU A 45 -3.442 -8.470 5.476 1.00 0.00 O ATOM 772 CB LEU A 45 -4.724 -5.273 5.282 1.00 0.00 C ATOM 773 CG LEU A 45 -3.683 -5.144 4.217 1.00 0.00 C ATOM 774 CD1 LEU A 45 -2.371 -5.758 4.718 1.00 0.00 C ATOM 775 CD2 LEU A 45 -4.287 -5.789 2.959 1.00 0.00 C ATOM 0 H LEU A 45 -6.404 -5.858 7.026 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.560 -7.197 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.622 -4.740 4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.366 -4.790 6.191 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.419 -4.117 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.608 -5.667 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.043 -5.233 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.528 -6.811 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.571 -5.727 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.517 -6.835 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.201 -5.263 2.683 1.00 0.00 H new ATOM 787 N THR A 46 -3.233 -6.905 7.017 1.00 0.00 N ATOM 788 CA THR A 46 -1.980 -7.440 7.566 1.00 0.00 C ATOM 789 C THR A 46 -2.036 -8.966 7.544 1.00 0.00 C ATOM 790 O THR A 46 -1.028 -9.641 7.577 1.00 0.00 O ATOM 791 CB THR A 46 -1.870 -6.857 8.961 1.00 0.00 C ATOM 792 OG1 THR A 46 -3.109 -6.994 9.605 1.00 0.00 O ATOM 793 CG2 THR A 46 -1.488 -5.385 8.855 1.00 0.00 C ATOM 0 H THR A 46 -3.566 -6.061 7.483 1.00 0.00 H new ATOM 0 HA THR A 46 -1.095 -7.169 6.990 1.00 0.00 H new ATOM 0 HB THR A 46 -1.106 -7.381 9.536 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.389 -7.933 9.580 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.407 -4.957 9.854 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.531 -5.294 8.342 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.253 -4.850 8.293 1.00 0.00 H new ATOM 801 N SER A 47 -3.208 -9.511 7.414 1.00 0.00 N ATOM 802 CA SER A 47 -3.333 -10.985 7.294 1.00 0.00 C ATOM 803 C SER A 47 -3.186 -11.317 5.804 1.00 0.00 C ATOM 804 O SER A 47 -2.401 -12.156 5.406 1.00 0.00 O ATOM 805 CB SER A 47 -4.705 -11.434 7.797 1.00 0.00 C ATOM 806 OG SER A 47 -5.627 -11.432 6.715 1.00 0.00 O ATOM 0 H SER A 47 -4.089 -8.997 7.386 1.00 0.00 H new ATOM 0 HA SER A 47 -2.575 -11.495 7.888 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.637 -12.432 8.230 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.052 -10.767 8.586 1.00 0.00 H new ATOM 0 HG SER A 47 -6.000 -10.532 6.605 1.00 0.00 H new ATOM 812 N LEU A 48 -3.952 -10.643 4.985 1.00 0.00 N ATOM 813 CA LEU A 48 -3.920 -10.847 3.524 1.00 0.00 C ATOM 814 C LEU A 48 -2.506 -10.756 2.953 1.00 0.00 C ATOM 815 O LEU A 48 -1.798 -11.738 2.843 1.00 0.00 O ATOM 816 CB LEU A 48 -4.771 -9.740 2.896 1.00 0.00 C ATOM 817 CG LEU A 48 -6.081 -10.328 2.436 1.00 0.00 C ATOM 818 CD1 LEU A 48 -6.968 -10.624 3.645 1.00 0.00 C ATOM 819 CD2 LEU A 48 -6.797 -9.351 1.498 1.00 0.00 C ATOM 0 H LEU A 48 -4.620 -9.935 5.291 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.297 -11.845 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.949 -8.945 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.243 -9.292 2.054 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.882 -11.255 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.913 -11.049 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.464 -11.335 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.160 -9.700 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.742 -9.786 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.990 -8.416 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.169 -9.155 0.629 1.00 0.00 H new ATOM 831 N ILE A 49 -2.119 -9.585 2.530 1.00 0.00 N ATOM 832 CA ILE A 49 -0.781 -9.426 1.893 1.00 0.00 C ATOM 833 C ILE A 49 0.250 -8.953 2.924 1.00 0.00 C ATOM 834 O ILE A 49 1.242 -8.326 2.606 1.00 0.00 O ATOM 835 CB ILE A 49 -0.906 -8.480 0.678 1.00 0.00 C ATOM 836 CG1 ILE A 49 -0.781 -6.997 1.076 1.00 0.00 C ATOM 837 CG2 ILE A 49 -2.275 -8.703 0.022 1.00 0.00 C ATOM 838 CD1 ILE A 49 -1.623 -6.719 2.299 1.00 0.00 C ATOM 0 H ILE A 49 -2.672 -8.730 2.598 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.420 -10.386 1.523 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.092 -8.708 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.262 -6.753 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.102 -6.362 0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.378 -8.042 -0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.357 -9.739 -0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.063 -8.487 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.529 -5.668 2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.667 -6.945 2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.281 -7.342 3.125 1.00 0.00 H new ATOM 850 N ARG A 50 0.021 -9.313 4.156 1.00 0.00 N ATOM 851 CA ARG A 50 0.961 -8.981 5.270 1.00 0.00 C ATOM 852 C ARG A 50 1.730 -7.708 4.991 1.00 0.00 C ATOM 853 O ARG A 50 2.886 -7.577 5.341 1.00 0.00 O ATOM 854 CB ARG A 50 1.938 -10.133 5.445 1.00 0.00 C ATOM 855 CG ARG A 50 1.249 -11.420 5.009 1.00 0.00 C ATOM 856 CD ARG A 50 1.556 -12.523 6.020 1.00 0.00 C ATOM 857 NE ARG A 50 0.972 -13.809 5.550 1.00 0.00 N ATOM 858 CZ ARG A 50 1.344 -14.933 6.096 1.00 0.00 C ATOM 859 NH1 ARG A 50 2.229 -14.928 7.057 1.00 0.00 N ATOM 860 NH2 ARG A 50 0.834 -16.061 5.685 1.00 0.00 N ATOM 0 H ARG A 50 -0.803 -9.839 4.448 1.00 0.00 H new ATOM 0 HA ARG A 50 0.379 -8.827 6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.835 -9.963 4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.255 -10.206 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.172 -11.264 4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.594 -11.713 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.634 -12.626 6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.146 -12.261 6.995 1.00 0.00 H new ATOM 0 HE ARG A 50 0.280 -13.811 4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.627 -14.046 7.379 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.521 -15.806 7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.143 -16.065 4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.127 -16.939 6.114 1.00 0.00 H new ATOM 874 N LEU A 51 1.097 -6.758 4.403 1.00 0.00 N ATOM 875 CA LEU A 51 1.802 -5.474 4.152 1.00 0.00 C ATOM 876 C LEU A 51 1.980 -4.768 5.496 1.00 0.00 C ATOM 877 O LEU A 51 2.033 -3.559 5.589 1.00 0.00 O ATOM 878 CB LEU A 51 1.013 -4.602 3.173 1.00 0.00 C ATOM 879 CG LEU A 51 1.858 -4.331 1.928 1.00 0.00 C ATOM 880 CD1 LEU A 51 1.041 -3.509 0.932 1.00 0.00 C ATOM 881 CD2 LEU A 51 3.116 -3.552 2.324 1.00 0.00 C ATOM 0 H LEU A 51 0.130 -6.802 4.083 1.00 0.00 H new ATOM 0 HA LEU A 51 2.775 -5.661 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.085 -5.101 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.738 -3.661 3.649 1.00 0.00 H new ATOM 0 HG LEU A 51 2.147 -5.277 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.641 -3.314 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.145 -4.063 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.753 -2.563 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.719 -3.359 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.829 -2.605 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.697 -4.137 3.037 1.00 0.00 H new ATOM 893 N THR A 52 2.098 -5.554 6.532 1.00 0.00 N ATOM 894 CA THR A 52 2.303 -5.035 7.907 1.00 0.00 C ATOM 895 C THR A 52 1.179 -4.082 8.332 1.00 0.00 C ATOM 896 O THR A 52 0.424 -3.607 7.513 1.00 0.00 O ATOM 897 CB THR A 52 3.631 -4.315 7.981 1.00 0.00 C ATOM 898 OG1 THR A 52 3.990 -3.829 6.693 1.00 0.00 O ATOM 899 CG2 THR A 52 4.705 -5.286 8.456 1.00 0.00 C ATOM 0 H THR A 52 2.059 -6.572 6.474 1.00 0.00 H new ATOM 0 HA THR A 52 2.295 -5.885 8.590 1.00 0.00 H new ATOM 0 HB THR A 52 3.545 -3.480 8.676 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.513 -4.510 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.664 -4.770 8.510 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.441 -5.666 9.443 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.780 -6.117 7.755 1.00 0.00 H new ATOM 907 N PRO A 53 1.108 -3.839 9.624 1.00 0.00 N ATOM 908 CA PRO A 53 0.050 -2.934 10.142 1.00 0.00 C ATOM 909 C PRO A 53 0.387 -1.470 9.881 1.00 0.00 C ATOM 910 O PRO A 53 -0.015 -0.914 8.877 1.00 0.00 O ATOM 911 CB PRO A 53 -0.036 -3.214 11.647 1.00 0.00 C ATOM 912 CG PRO A 53 0.901 -4.394 11.950 1.00 0.00 C ATOM 913 CD PRO A 53 1.582 -4.803 10.643 1.00 0.00 C ATOM 0 HA PRO A 53 -0.901 -3.116 9.641 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.258 -2.334 12.218 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.060 -3.453 11.935 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.645 -4.109 12.694 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.339 -5.231 12.365 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.667 -4.768 10.740 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.319 -5.824 10.368 1.00 0.00 H new ATOM 921 N THR A 54 1.109 -0.830 10.763 1.00 0.00 N ATOM 922 CA THR A 54 1.442 0.593 10.529 1.00 0.00 C ATOM 923 C THR A 54 1.715 0.765 9.040 1.00 0.00 C ATOM 924 O THR A 54 1.141 1.608 8.383 1.00 0.00 O ATOM 925 CB THR A 54 2.673 0.961 11.344 1.00 0.00 C ATOM 926 OG1 THR A 54 2.364 0.871 12.729 1.00 0.00 O ATOM 927 CG2 THR A 54 3.093 2.386 11.004 1.00 0.00 C ATOM 0 H THR A 54 1.476 -1.232 11.625 1.00 0.00 H new ATOM 0 HA THR A 54 0.623 1.244 10.833 1.00 0.00 H new ATOM 0 HB THR A 54 3.489 0.277 11.110 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.156 1.106 13.257 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.975 2.654 11.586 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.325 2.453 9.941 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.280 3.072 11.242 1.00 0.00 H new ATOM 935 N GLN A 55 2.557 -0.068 8.494 1.00 0.00 N ATOM 936 CA GLN A 55 2.835 0.008 7.038 1.00 0.00 C ATOM 937 C GLN A 55 1.518 0.277 6.319 1.00 0.00 C ATOM 938 O GLN A 55 1.281 1.351 5.806 1.00 0.00 O ATOM 939 CB GLN A 55 3.385 -1.338 6.572 1.00 0.00 C ATOM 940 CG GLN A 55 4.864 -1.461 6.949 1.00 0.00 C ATOM 941 CD GLN A 55 5.662 -1.957 5.741 1.00 0.00 C ATOM 942 OE1 GLN A 55 5.446 -1.514 4.631 1.00 0.00 O ATOM 943 NE2 GLN A 55 6.584 -2.865 5.914 1.00 0.00 N ATOM 0 H GLN A 55 3.063 -0.797 8.996 1.00 0.00 H new ATOM 0 HA GLN A 55 3.556 0.797 6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.817 -2.149 7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.268 -1.434 5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.247 -0.495 7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.981 -2.152 7.784 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.765 -3.237 6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.123 -3.203 5.117 1.00 0.00 H new ATOM 952 N VAL A 56 0.650 -0.700 6.297 1.00 0.00 N ATOM 953 CA VAL A 56 -0.664 -0.511 5.630 1.00 0.00 C ATOM 954 C VAL A 56 -1.251 0.828 6.058 1.00 0.00 C ATOM 955 O VAL A 56 -1.676 1.626 5.247 1.00 0.00 O ATOM 956 CB VAL A 56 -1.633 -1.606 6.072 1.00 0.00 C ATOM 957 CG1 VAL A 56 -3.002 -1.316 5.475 1.00 0.00 C ATOM 958 CG2 VAL A 56 -1.148 -2.974 5.611 1.00 0.00 C ATOM 0 H VAL A 56 0.798 -1.619 6.713 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.521 -0.548 4.550 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.692 -1.616 7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.705 -2.091 5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.354 -0.346 5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.929 -1.303 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.853 -3.739 5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.075 -2.987 4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.168 -3.177 6.042 1.00 0.00 H new ATOM 968 N LYS A 57 -1.292 1.066 7.338 1.00 0.00 N ATOM 969 CA LYS A 57 -1.865 2.332 7.845 1.00 0.00 C ATOM 970 C LYS A 57 -1.234 3.512 7.109 1.00 0.00 C ATOM 971 O LYS A 57 -1.919 4.376 6.598 1.00 0.00 O ATOM 972 CB LYS A 57 -1.575 2.436 9.337 1.00 0.00 C ATOM 973 CG LYS A 57 -2.401 3.571 9.945 1.00 0.00 C ATOM 974 CD LYS A 57 -1.619 4.213 11.093 1.00 0.00 C ATOM 975 CE LYS A 57 -1.297 3.153 12.149 1.00 0.00 C ATOM 976 NZ LYS A 57 -2.042 3.462 13.403 1.00 0.00 N ATOM 0 H LYS A 57 -0.949 0.429 8.057 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.942 2.348 7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.815 1.494 9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.513 2.619 9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.629 4.317 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.354 3.187 10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.698 4.657 10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.202 5.019 11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.573 2.164 11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.225 3.133 12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.825 2.743 14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.758 4.399 13.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.064 3.460 13.209 1.00 0.00 H new ATOM 990 N ILE A 58 0.068 3.557 7.050 1.00 0.00 N ATOM 991 CA ILE A 58 0.736 4.686 6.346 1.00 0.00 C ATOM 992 C ILE A 58 0.409 4.624 4.848 1.00 0.00 C ATOM 993 O ILE A 58 0.162 5.638 4.222 1.00 0.00 O ATOM 994 CB ILE A 58 2.253 4.600 6.549 1.00 0.00 C ATOM 995 CG1 ILE A 58 2.575 4.362 8.032 1.00 0.00 C ATOM 996 CG2 ILE A 58 2.901 5.910 6.097 1.00 0.00 C ATOM 997 CD1 ILE A 58 1.595 5.138 8.922 1.00 0.00 C ATOM 0 H ILE A 58 0.696 2.864 7.457 1.00 0.00 H new ATOM 0 HA ILE A 58 0.374 5.629 6.755 1.00 0.00 H new ATOM 0 HB ILE A 58 2.643 3.770 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.516 3.297 8.257 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.597 4.677 8.244 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.980 5.851 6.241 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.684 6.078 5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.501 6.736 6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.836 4.959 9.970 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.675 6.204 8.708 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.577 4.803 8.721 1.00 0.00 H new ATOM 1009 N TRP A 59 0.394 3.454 4.262 1.00 0.00 N ATOM 1010 CA TRP A 59 0.069 3.359 2.810 1.00 0.00 C ATOM 1011 C TRP A 59 -1.133 4.257 2.509 1.00 0.00 C ATOM 1012 O TRP A 59 -1.107 5.065 1.602 1.00 0.00 O ATOM 1013 CB TRP A 59 -0.281 1.915 2.447 1.00 0.00 C ATOM 1014 CG TRP A 59 -0.511 1.822 0.972 1.00 0.00 C ATOM 1015 CD1 TRP A 59 0.463 1.724 0.039 1.00 0.00 C ATOM 1016 CD2 TRP A 59 -1.774 1.821 0.246 1.00 0.00 C ATOM 1017 NE1 TRP A 59 -0.122 1.662 -1.213 1.00 0.00 N ATOM 1018 CE2 TRP A 59 -1.499 1.717 -1.138 1.00 0.00 C ATOM 1019 CE3 TRP A 59 -3.118 1.897 0.651 1.00 0.00 C ATOM 1020 CZ2 TRP A 59 -2.524 1.691 -2.087 1.00 0.00 C ATOM 1021 CZ3 TRP A 59 -4.151 1.872 -0.300 1.00 0.00 C ATOM 1022 CH2 TRP A 59 -3.855 1.769 -1.666 1.00 0.00 C ATOM 0 H TRP A 59 0.592 2.566 4.724 1.00 0.00 H new ATOM 0 HA TRP A 59 0.932 3.677 2.225 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.527 1.246 2.744 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.173 1.597 2.987 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.524 1.698 0.239 1.00 0.00 H new ATOM 0 HE1 TRP A 59 0.401 1.585 -2.085 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.358 1.975 1.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.290 1.611 -3.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.180 1.933 0.023 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.654 1.750 -2.392 1.00 0.00 H new ATOM 1033 N PHE A 60 -2.187 4.119 3.270 1.00 0.00 N ATOM 1034 CA PHE A 60 -3.394 4.963 3.037 1.00 0.00 C ATOM 1035 C PHE A 60 -3.017 6.436 3.181 1.00 0.00 C ATOM 1036 O PHE A 60 -3.119 7.207 2.249 1.00 0.00 O ATOM 1037 CB PHE A 60 -4.472 4.610 4.065 1.00 0.00 C ATOM 1038 CG PHE A 60 -5.188 3.360 3.624 1.00 0.00 C ATOM 1039 CD1 PHE A 60 -4.583 2.112 3.801 1.00 0.00 C ATOM 1040 CD2 PHE A 60 -6.455 3.448 3.035 1.00 0.00 C ATOM 1041 CE1 PHE A 60 -5.241 0.951 3.386 1.00 0.00 C ATOM 1042 CE2 PHE A 60 -7.115 2.286 2.620 1.00 0.00 C ATOM 1043 CZ PHE A 60 -6.507 1.036 2.795 1.00 0.00 C ATOM 0 H PHE A 60 -2.263 3.458 4.043 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.777 4.780 2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.020 4.458 5.045 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.180 5.433 4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.607 2.045 4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.923 4.412 2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.772 -0.013 3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.092 2.353 2.165 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.015 0.138 2.474 1.00 0.00 H new ATOM 1053 N GLN A 61 -2.580 6.830 4.347 1.00 0.00 N ATOM 1054 CA GLN A 61 -2.192 8.253 4.554 1.00 0.00 C ATOM 1055 C GLN A 61 -1.554 8.790 3.270 1.00 0.00 C ATOM 1056 O GLN A 61 -1.805 9.906 2.860 1.00 0.00 O ATOM 1057 CB GLN A 61 -1.188 8.345 5.704 1.00 0.00 C ATOM 1058 CG GLN A 61 -1.020 9.806 6.122 1.00 0.00 C ATOM 1059 CD GLN A 61 0.221 9.944 7.006 1.00 0.00 C ATOM 1060 OE1 GLN A 61 1.145 9.163 6.901 1.00 0.00 O ATOM 1061 NE2 GLN A 61 0.280 10.911 7.880 1.00 0.00 N ATOM 0 H GLN A 61 -2.475 6.228 5.164 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.074 8.844 4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.534 7.751 6.550 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.228 7.932 5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.923 10.439 5.240 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.904 10.145 6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.496 11.567 7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.102 11.011 8.475 1.00 0.00 H new ATOM 1070 N ASN A 62 -0.737 7.998 2.629 1.00 0.00 N ATOM 1071 CA ASN A 62 -0.090 8.456 1.367 1.00 0.00 C ATOM 1072 C ASN A 62 -1.152 8.572 0.273 1.00 0.00 C ATOM 1073 O ASN A 62 -1.310 9.606 -0.346 1.00 0.00 O ATOM 1074 CB ASN A 62 0.970 7.439 0.940 1.00 0.00 C ATOM 1075 CG ASN A 62 1.374 7.698 -0.512 1.00 0.00 C ATOM 1076 OD1 ASN A 62 0.602 7.464 -1.421 1.00 0.00 O ATOM 1077 ND2 ASN A 62 2.560 8.176 -0.771 1.00 0.00 N ATOM 0 H ASN A 62 -0.490 7.054 2.925 1.00 0.00 H new ATOM 0 HA ASN A 62 0.381 9.426 1.527 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.842 7.513 1.589 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.580 6.427 1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.839 8.353 -1.736 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.208 8.373 -0.008 1.00 0.00 H new ATOM 1084 N HIS A 63 -1.884 7.520 0.035 1.00 0.00 N ATOM 1085 CA HIS A 63 -2.940 7.571 -1.013 1.00 0.00 C ATOM 1086 C HIS A 63 -4.115 8.403 -0.500 1.00 0.00 C ATOM 1087 O HIS A 63 -4.599 9.291 -1.172 1.00 0.00 O ATOM 1088 CB HIS A 63 -3.419 6.151 -1.328 1.00 0.00 C ATOM 1089 CG HIS A 63 -2.728 5.651 -2.568 1.00 0.00 C ATOM 1090 ND1 HIS A 63 -1.934 4.514 -2.565 1.00 0.00 N ATOM 1091 CD2 HIS A 63 -2.703 6.123 -3.857 1.00 0.00 C ATOM 1092 CE1 HIS A 63 -1.470 4.341 -3.817 1.00 0.00 C ATOM 1093 NE2 HIS A 63 -1.909 5.294 -4.644 1.00 0.00 N ATOM 0 H HIS A 63 -1.797 6.627 0.521 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.536 8.024 -1.918 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -3.206 5.489 -0.488 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.499 6.144 -1.473 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -1.737 3.918 -1.761 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.221 7.004 -4.207 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.822 3.531 -4.116 1.00 0.00 H new ATOM 1101 N ARG A 64 -4.578 8.121 0.690 1.00 0.00 N ATOM 1102 CA ARG A 64 -5.724 8.894 1.253 1.00 0.00 C ATOM 1103 C ARG A 64 -5.659 10.341 0.763 1.00 0.00 C ATOM 1104 O ARG A 64 -6.601 10.855 0.200 1.00 0.00 O ATOM 1105 CB ARG A 64 -5.655 8.874 2.782 1.00 0.00 C ATOM 1106 CG ARG A 64 -7.051 8.620 3.352 1.00 0.00 C ATOM 1107 CD ARG A 64 -7.976 9.779 2.975 1.00 0.00 C ATOM 1108 NE ARG A 64 -9.327 9.546 3.559 1.00 0.00 N ATOM 1109 CZ ARG A 64 -10.193 10.522 3.617 1.00 0.00 C ATOM 1110 NH1 ARG A 64 -9.872 11.705 3.167 1.00 0.00 N ATOM 1111 NH2 ARG A 64 -11.377 10.316 4.125 1.00 0.00 N ATOM 0 H ARG A 64 -4.211 7.388 1.297 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.659 8.440 0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.967 8.097 3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.267 9.823 3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.449 7.682 2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.000 8.520 4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.566 10.720 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.046 9.864 1.891 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.576 8.623 3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.946 11.866 2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.547 12.468 3.212 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.627 9.392 4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.053 11.079 4.170 1.00 0.00 H new ATOM 1125 N TYR A 65 -4.555 10.999 0.985 1.00 0.00 N ATOM 1126 CA TYR A 65 -4.421 12.422 0.542 1.00 0.00 C ATOM 1127 C TYR A 65 -4.396 12.501 -0.992 1.00 0.00 C ATOM 1128 O TYR A 65 -5.013 13.365 -1.582 1.00 0.00 O ATOM 1129 CB TYR A 65 -3.127 13.006 1.128 1.00 0.00 C ATOM 1130 CG TYR A 65 -2.449 13.906 0.118 1.00 0.00 C ATOM 1131 CD1 TYR A 65 -3.078 15.082 -0.309 1.00 0.00 C ATOM 1132 CD2 TYR A 65 -1.191 13.561 -0.390 1.00 0.00 C ATOM 1133 CE1 TYR A 65 -2.447 15.912 -1.244 1.00 0.00 C ATOM 1134 CE2 TYR A 65 -0.561 14.390 -1.324 1.00 0.00 C ATOM 1135 CZ TYR A 65 -1.189 15.565 -1.752 1.00 0.00 C ATOM 1136 OH TYR A 65 -0.567 16.384 -2.673 1.00 0.00 O ATOM 0 H TYR A 65 -3.736 10.614 1.455 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.275 12.998 0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.352 13.570 2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.453 12.198 1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.049 15.349 0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.706 12.654 -0.060 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.931 16.820 -1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.410 14.123 -1.715 1.00 0.00 H new ATOM 0 HH TYR A 65 0.299 15.998 -2.922 1.00 0.00 H new ATOM 1146 N LYS A 66 -3.683 11.624 -1.648 1.00 0.00 N ATOM 1147 CA LYS A 66 -3.632 11.679 -3.135 1.00 0.00 C ATOM 1148 C LYS A 66 -4.899 11.056 -3.726 1.00 0.00 C ATOM 1149 O LYS A 66 -5.484 11.590 -4.649 1.00 0.00 O ATOM 1150 CB LYS A 66 -2.404 10.912 -3.630 1.00 0.00 C ATOM 1151 CG LYS A 66 -1.161 11.792 -3.488 1.00 0.00 C ATOM 1152 CD LYS A 66 0.085 10.907 -3.420 1.00 0.00 C ATOM 1153 CE LYS A 66 0.182 10.061 -4.690 1.00 0.00 C ATOM 1154 NZ LYS A 66 1.394 9.196 -4.620 1.00 0.00 N ATOM 0 H LYS A 66 -3.137 10.876 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.567 12.719 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.280 9.994 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.539 10.621 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.088 12.476 -4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.236 12.403 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.977 11.525 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.038 10.261 -2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.711 9.446 -4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.233 10.707 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.460 8.621 -5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.242 9.792 -4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.327 8.571 -3.792 1.00 0.00 H new ATOM 1168 N THR A 67 -5.338 9.939 -3.212 1.00 0.00 N ATOM 1169 CA THR A 67 -6.572 9.313 -3.763 1.00 0.00 C ATOM 1170 C THR A 67 -7.608 10.410 -3.999 1.00 0.00 C ATOM 1171 O THR A 67 -8.589 10.221 -4.691 1.00 0.00 O ATOM 1172 CB THR A 67 -7.122 8.289 -2.766 1.00 0.00 C ATOM 1173 OG1 THR A 67 -6.685 8.624 -1.457 1.00 0.00 O ATOM 1174 CG2 THR A 67 -6.618 6.894 -3.134 1.00 0.00 C ATOM 0 H THR A 67 -4.899 9.437 -2.440 1.00 0.00 H new ATOM 0 HA THR A 67 -6.346 8.805 -4.700 1.00 0.00 H new ATOM 0 HB THR A 67 -8.211 8.298 -2.799 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.961 9.540 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.010 6.166 -2.424 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.955 6.639 -4.139 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.529 6.881 -3.103 1.00 0.00 H new ATOM 1182 N LYS A 68 -7.386 11.561 -3.425 1.00 0.00 N ATOM 1183 CA LYS A 68 -8.337 12.692 -3.602 1.00 0.00 C ATOM 1184 C LYS A 68 -7.964 13.470 -4.864 1.00 0.00 C ATOM 1185 O LYS A 68 -8.807 13.817 -5.667 1.00 0.00 O ATOM 1186 CB LYS A 68 -8.251 13.619 -2.386 1.00 0.00 C ATOM 1187 CG LYS A 68 -7.832 12.804 -1.166 1.00 0.00 C ATOM 1188 CD LYS A 68 -7.678 13.728 0.043 1.00 0.00 C ATOM 1189 CE LYS A 68 -8.927 14.600 0.184 1.00 0.00 C ATOM 1190 NZ LYS A 68 -9.018 15.119 1.579 1.00 0.00 N ATOM 0 H LYS A 68 -6.579 11.767 -2.836 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.353 12.309 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.531 14.416 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.215 14.095 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.577 12.036 -0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.892 12.290 -1.365 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.530 13.138 0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.795 14.356 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.886 15.430 -0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.817 14.020 -0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.867 15.712 1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.077 14.321 2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.174 15.687 1.794 1.00 0.00 H new ATOM 1204 N ARG A 69 -6.700 13.745 -5.044 1.00 0.00 N ATOM 1205 CA ARG A 69 -6.264 14.501 -6.250 1.00 0.00 C ATOM 1206 C ARG A 69 -6.517 13.654 -7.498 1.00 0.00 C ATOM 1207 O ARG A 69 -6.569 14.159 -8.602 1.00 0.00 O ATOM 1208 CB ARG A 69 -4.770 14.819 -6.138 1.00 0.00 C ATOM 1209 CG ARG A 69 -4.572 16.061 -5.265 1.00 0.00 C ATOM 1210 CD ARG A 69 -4.691 15.669 -3.791 1.00 0.00 C ATOM 1211 NE ARG A 69 -5.645 16.588 -3.098 1.00 0.00 N ATOM 1212 CZ ARG A 69 -5.608 17.877 -3.318 1.00 0.00 C ATOM 1213 NH1 ARG A 69 -4.686 18.387 -4.086 1.00 0.00 N ATOM 1214 NH2 ARG A 69 -6.486 18.657 -2.749 1.00 0.00 N ATOM 0 H ARG A 69 -5.951 13.478 -4.406 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.827 15.431 -6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.239 13.971 -5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.349 14.988 -7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.594 16.503 -5.458 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.317 16.816 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.037 14.639 -3.706 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.713 15.717 -3.312 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.331 16.206 -2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.989 17.780 -4.518 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.661 19.393 -4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.198 18.261 -2.135 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.460 19.663 -2.918 1.00 0.00 H new ATOM 1228 N ALA A 70 -6.681 12.370 -7.331 1.00 0.00 N ATOM 1229 CA ALA A 70 -6.937 11.494 -8.509 1.00 0.00 C ATOM 1230 C ALA A 70 -8.317 11.816 -9.081 1.00 0.00 C ATOM 1231 O ALA A 70 -8.521 11.812 -10.279 1.00 0.00 O ATOM 1232 CB ALA A 70 -6.895 10.028 -8.072 1.00 0.00 C ATOM 0 H ALA A 70 -6.649 11.891 -6.431 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.175 11.667 -9.269 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.082 9.386 -8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.914 9.800 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.659 9.852 -7.315 1.00 0.00 H new ATOM 1238 N GLN A 71 -9.267 12.099 -8.232 1.00 0.00 N ATOM 1239 CA GLN A 71 -10.635 12.425 -8.723 1.00 0.00 C ATOM 1240 C GLN A 71 -10.617 13.793 -9.406 1.00 0.00 C ATOM 1241 O GLN A 71 -11.320 14.026 -10.369 1.00 0.00 O ATOM 1242 CB GLN A 71 -11.607 12.457 -7.541 1.00 0.00 C ATOM 1243 CG GLN A 71 -12.348 11.121 -7.448 1.00 0.00 C ATOM 1244 CD GLN A 71 -13.526 11.254 -6.483 1.00 0.00 C ATOM 1245 OE1 GLN A 71 -13.713 12.381 -5.852 1.00 0.00 O flip ATOM 1246 NE2 GLN A 71 -14.285 10.322 -6.299 1.00 0.00 N flip ATOM 0 H GLN A 71 -9.154 12.118 -7.218 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.956 11.666 -9.437 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.064 12.648 -6.616 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.320 13.272 -7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.704 10.822 -8.434 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.669 10.340 -7.104 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.140 9.441 -6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.067 10.421 -5.652 1.00 0.00 H new ATOM 1255 N ASN A 72 -9.816 14.702 -8.917 1.00 0.00 N ATOM 1256 CA ASN A 72 -9.756 16.053 -9.542 1.00 0.00 C ATOM 1257 C ASN A 72 -9.140 15.939 -10.938 1.00 0.00 C ATOM 1258 O ASN A 72 -9.492 16.670 -11.843 1.00 0.00 O ATOM 1259 CB ASN A 72 -8.895 16.980 -8.679 1.00 0.00 C ATOM 1260 CG ASN A 72 -9.141 18.432 -9.089 1.00 0.00 C ATOM 1261 OD1 ASN A 72 -10.269 18.835 -9.297 1.00 0.00 O ATOM 1262 ND2 ASN A 72 -8.126 19.243 -9.216 1.00 0.00 N ATOM 0 H ASN A 72 -9.202 14.567 -8.114 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.763 16.463 -9.619 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.137 16.842 -7.625 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.841 16.731 -8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.280 20.214 -9.489 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.179 18.906 -9.042 1.00 0.00 H new ATOM 1269 N GLU A 73 -8.248 15.006 -11.128 1.00 0.00 N ATOM 1270 CA GLU A 73 -7.638 14.819 -12.471 1.00 0.00 C ATOM 1271 C GLU A 73 -8.551 13.879 -13.234 1.00 0.00 C ATOM 1272 O GLU A 73 -8.143 13.158 -14.123 1.00 0.00 O ATOM 1273 CB GLU A 73 -6.245 14.200 -12.332 1.00 0.00 C ATOM 1274 CG GLU A 73 -5.197 15.167 -12.887 1.00 0.00 C ATOM 1275 CD GLU A 73 -5.481 15.434 -14.366 1.00 0.00 C ATOM 1276 OE1 GLU A 73 -5.617 14.474 -15.105 1.00 0.00 O ATOM 1277 OE2 GLU A 73 -5.558 16.595 -14.734 1.00 0.00 O ATOM 0 H GLU A 73 -7.916 14.364 -10.408 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.530 15.771 -12.991 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.035 13.982 -11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.201 13.253 -12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.217 16.102 -12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.199 14.746 -12.768 1.00 0.00 H new ATOM 1284 N LYS A 74 -9.786 13.856 -12.836 1.00 0.00 N ATOM 1285 CA LYS A 74 -10.765 12.939 -13.458 1.00 0.00 C ATOM 1286 C LYS A 74 -12.018 13.716 -13.869 1.00 0.00 C ATOM 1287 O LYS A 74 -12.144 14.894 -13.604 1.00 0.00 O ATOM 1288 CB LYS A 74 -11.117 11.897 -12.403 1.00 0.00 C ATOM 1289 CG LYS A 74 -10.927 10.493 -12.981 1.00 0.00 C ATOM 1290 CD LYS A 74 -9.435 10.161 -13.036 1.00 0.00 C ATOM 1291 CE LYS A 74 -9.081 9.632 -14.426 1.00 0.00 C ATOM 1292 NZ LYS A 74 -7.660 9.186 -14.440 1.00 0.00 N ATOM 0 H LYS A 74 -10.163 14.445 -12.093 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.355 12.469 -14.352 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.485 12.027 -11.524 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.149 12.030 -12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.451 9.761 -12.366 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.360 10.438 -13.980 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.845 11.050 -12.813 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.189 9.417 -12.279 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.737 8.802 -14.689 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.237 10.410 -15.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.418 8.826 -15.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.042 9.989 -14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.526 8.431 -13.737 1.00 0.00 H new ATOM 1306 N GLY A 75 -12.948 13.066 -14.519 1.00 0.00 N ATOM 1307 CA GLY A 75 -14.190 13.771 -14.945 1.00 0.00 C ATOM 1308 C GLY A 75 -15.318 12.759 -15.150 1.00 0.00 C ATOM 1309 O GLY A 75 -16.431 12.958 -14.708 1.00 0.00 O ATOM 0 H GLY A 75 -12.900 12.079 -14.772 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.479 14.504 -14.192 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -14.009 14.319 -15.870 1.00 0.00 H new ATOM 1313 N TYR A 76 -15.042 11.673 -15.822 1.00 0.00 N ATOM 1314 CA TYR A 76 -16.103 10.654 -16.056 1.00 0.00 C ATOM 1315 C TYR A 76 -15.930 9.496 -15.072 1.00 0.00 C ATOM 1316 O TYR A 76 -16.382 9.554 -13.946 1.00 0.00 O ATOM 1317 CB TYR A 76 -15.995 10.125 -17.488 1.00 0.00 C ATOM 1318 CG TYR A 76 -16.269 11.249 -18.457 1.00 0.00 C ATOM 1319 CD1 TYR A 76 -15.369 12.315 -18.561 1.00 0.00 C ATOM 1320 CD2 TYR A 76 -17.423 11.226 -19.250 1.00 0.00 C ATOM 1321 CE1 TYR A 76 -15.621 13.360 -19.457 1.00 0.00 C ATOM 1322 CE2 TYR A 76 -17.676 12.271 -20.146 1.00 0.00 C ATOM 1323 CZ TYR A 76 -16.774 13.338 -20.250 1.00 0.00 C ATOM 1324 OH TYR A 76 -17.023 14.368 -21.134 1.00 0.00 O ATOM 0 H TYR A 76 -14.129 11.449 -16.218 1.00 0.00 H new ATOM 0 HA TYR A 76 -17.081 11.111 -15.908 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -15.001 9.714 -17.662 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.707 9.314 -17.643 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -14.479 12.331 -17.949 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.117 10.403 -19.170 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.926 14.183 -19.537 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -18.566 12.255 -20.757 1.00 0.00 H new ATOM 0 HH TYR A 76 -17.864 14.197 -21.607 1.00 0.00 H new ATOM 1334 N GLU A 77 -15.283 8.443 -15.490 1.00 0.00 N ATOM 1335 CA GLU A 77 -15.083 7.282 -14.577 1.00 0.00 C ATOM 1336 C GLU A 77 -14.169 7.691 -13.422 1.00 0.00 C ATOM 1337 O GLU A 77 -13.834 8.848 -13.262 1.00 0.00 O ATOM 1338 CB GLU A 77 -14.440 6.128 -15.353 1.00 0.00 C ATOM 1339 CG GLU A 77 -15.370 5.691 -16.488 1.00 0.00 C ATOM 1340 CD GLU A 77 -14.664 5.883 -17.833 1.00 0.00 C ATOM 1341 OE1 GLU A 77 -13.468 5.650 -17.890 1.00 0.00 O ATOM 1342 OE2 GLU A 77 -15.331 6.260 -18.781 1.00 0.00 O ATOM 0 H GLU A 77 -14.885 8.336 -16.423 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.047 6.962 -14.181 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.477 6.440 -15.758 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.247 5.289 -14.684 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.651 4.646 -16.359 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.291 6.274 -16.462 1.00 0.00 H new ATOM 1349 N GLY A 78 -13.762 6.750 -12.615 1.00 0.00 N ATOM 1350 CA GLY A 78 -12.870 7.084 -11.470 1.00 0.00 C ATOM 1351 C GLY A 78 -12.682 5.843 -10.597 1.00 0.00 C ATOM 1352 O GLY A 78 -12.551 5.933 -9.392 1.00 0.00 O ATOM 0 H GLY A 78 -14.009 5.764 -12.699 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.905 7.435 -11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.302 7.894 -10.882 1.00 0.00 H new ATOM 1356 N HIS A 79 -12.668 4.683 -11.195 1.00 0.00 N ATOM 1357 CA HIS A 79 -12.488 3.437 -10.400 1.00 0.00 C ATOM 1358 C HIS A 79 -11.343 2.614 -10.994 1.00 0.00 C ATOM 1359 O HIS A 79 -11.516 1.935 -11.987 1.00 0.00 O ATOM 1360 CB HIS A 79 -13.778 2.614 -10.440 1.00 0.00 C ATOM 1361 CG HIS A 79 -14.964 3.526 -10.285 1.00 0.00 C ATOM 1362 ND1 HIS A 79 -15.607 4.353 -11.172 1.00 0.00 N flip ATOM 1363 CD2 HIS A 79 -15.644 3.658 -9.084 1.00 0.00 C flip ATOM 1364 CE1 HIS A 79 -16.670 4.988 -10.536 1.00 0.00 C flip ATOM 1365 NE2 HIS A 79 -16.646 4.534 -9.280 1.00 0.00 N flip ATOM 0 H HIS A 79 -12.774 4.545 -12.200 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.254 3.697 -9.368 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -13.845 2.070 -11.382 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.772 1.871 -9.643 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -15.412 3.150 -8.160 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -17.364 5.695 -10.965 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -17.307 4.817 -8.557 1.00 0.00 H new ATOM 1373 N PRO A 80 -10.205 2.702 -10.359 1.00 0.00 N ATOM 1374 CA PRO A 80 -9.043 1.938 -10.861 1.00 0.00 C ATOM 1375 C PRO A 80 -8.888 0.637 -10.069 1.00 0.00 C ATOM 1376 O PRO A 80 -8.465 0.709 -8.926 1.00 0.00 O ATOM 1377 CB PRO A 80 -7.825 2.845 -10.643 1.00 0.00 C ATOM 1378 CG PRO A 80 -8.327 4.149 -9.988 1.00 0.00 C ATOM 1379 CD PRO A 80 -9.850 4.038 -9.837 1.00 0.00 C ATOM 1380 OXT PRO A 80 -9.194 -0.409 -10.618 1.00 0.00 O ATOM 0 HA PRO A 80 -9.158 1.667 -11.910 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.091 2.354 -10.005 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.331 3.058 -11.591 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.856 4.295 -9.016 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.065 5.011 -10.602 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.149 4.144 -8.794 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.358 4.825 -10.395 1.00 0.00 H new TER 1388 PRO A 80