USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 565 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 49:sc= 0.571 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0884 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.543 K(o=-0.54,f=-2.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= -0.185 (180deg=-0.812) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0664 X(o=-0.066,f=-0.0047) USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= -0.206 (180deg=-1.45!) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= -0.146 (180deg=-0.551) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -173:sc= 0 (180deg=-0.0944) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.00096) USER MOD Single : A 42 ASN : amide:sc= 0.117 X(o=0.12,f=-0.0015) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -1.93! (180deg=-3.07!) USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= -0.0662 (180deg=-0.362) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= 0.0178 (180deg=-0.349) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -2.55! C(o=-4.1!,f=-2.6!) USER MOD Single : A 58 HIS : no HD1:sc= -2.31! X(o=-2.3!,f=-2.1) USER MOD Single : A 60 GLN : amide:sc= 0.0122 X(o=0.012,f=-0.081) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.722 -5.140 15.896 1.00 0.00 N ATOM 2 CA GLY A 1 -7.407 -5.123 17.175 1.00 0.00 C ATOM 3 C GLY A 1 -7.741 -6.515 17.673 1.00 0.00 C ATOM 4 O GLY A 1 -8.505 -7.242 17.038 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.516 -4.165 15.599 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.832 -5.670 15.986 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.327 -5.598 15.184 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.782 -4.617 17.911 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.325 -4.543 17.084 1.00 0.00 H new ATOM 8 N SER A 2 -7.167 -6.887 18.812 1.00 0.00 N ATOM 9 CA SER A 2 -7.404 -8.204 19.393 1.00 0.00 C ATOM 10 C SER A 2 -7.654 -8.099 20.894 1.00 0.00 C ATOM 11 O SER A 2 -6.739 -7.818 21.668 1.00 0.00 O ATOM 12 CB SER A 2 -6.211 -9.124 19.126 1.00 0.00 C ATOM 13 OG SER A 2 -6.256 -9.648 17.810 1.00 0.00 O ATOM 0 H SER A 2 -6.535 -6.296 19.351 1.00 0.00 H new ATOM 0 HA SER A 2 -8.292 -8.627 18.924 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.282 -8.572 19.269 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.210 -9.942 19.847 1.00 0.00 H new ATOM 0 HG SER A 2 -5.482 -10.231 17.663 1.00 0.00 H new ATOM 19 N SER A 3 -8.899 -8.327 21.298 1.00 0.00 N ATOM 20 CA SER A 3 -9.272 -8.254 22.706 1.00 0.00 C ATOM 21 C SER A 3 -8.618 -9.381 23.499 1.00 0.00 C ATOM 22 O SER A 3 -9.199 -10.451 23.673 1.00 0.00 O ATOM 23 CB SER A 3 -10.793 -8.325 22.857 1.00 0.00 C ATOM 24 OG SER A 3 -11.313 -9.492 22.244 1.00 0.00 O ATOM 0 H SER A 3 -9.667 -8.564 20.670 1.00 0.00 H new ATOM 0 HA SER A 3 -8.919 -7.302 23.102 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.057 -8.318 23.914 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.248 -7.442 22.409 1.00 0.00 H new ATOM 0 HG SER A 3 -10.794 -10.272 22.532 1.00 0.00 H new ATOM 30 N GLY A 4 -7.403 -9.131 23.979 1.00 0.00 N ATOM 31 CA GLY A 4 -6.689 -10.133 24.749 1.00 0.00 C ATOM 32 C GLY A 4 -6.830 -11.523 24.162 1.00 0.00 C ATOM 33 O GLY A 4 -7.493 -12.384 24.741 1.00 0.00 O ATOM 0 H GLY A 4 -6.901 -8.253 23.848 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.633 -9.867 24.796 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.063 -10.135 25.773 1.00 0.00 H new ATOM 37 N SER A 5 -6.206 -11.744 23.010 1.00 0.00 N ATOM 38 CA SER A 5 -6.269 -13.039 22.341 1.00 0.00 C ATOM 39 C SER A 5 -4.978 -13.320 21.578 1.00 0.00 C ATOM 40 O SER A 5 -4.665 -12.645 20.597 1.00 0.00 O ATOM 41 CB SER A 5 -7.461 -13.084 21.384 1.00 0.00 C ATOM 42 OG SER A 5 -7.455 -11.971 20.508 1.00 0.00 O ATOM 0 H SER A 5 -5.651 -11.043 22.520 1.00 0.00 H new ATOM 0 HA SER A 5 -6.394 -13.808 23.103 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.431 -14.007 20.805 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.389 -13.096 21.955 1.00 0.00 H new ATOM 0 HG SER A 5 -8.226 -12.025 19.906 1.00 0.00 H new ATOM 48 N SER A 6 -4.233 -14.320 22.036 1.00 0.00 N ATOM 49 CA SER A 6 -2.974 -14.689 21.400 1.00 0.00 C ATOM 50 C SER A 6 -3.152 -14.843 19.892 1.00 0.00 C ATOM 51 O SER A 6 -3.862 -15.733 19.427 1.00 0.00 O ATOM 52 CB SER A 6 -2.439 -15.992 21.997 1.00 0.00 C ATOM 53 OG SER A 6 -1.081 -16.195 21.645 1.00 0.00 O ATOM 0 H SER A 6 -4.479 -14.890 22.845 1.00 0.00 H new ATOM 0 HA SER A 6 -2.255 -13.891 21.584 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.536 -15.965 23.082 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.039 -16.831 21.644 1.00 0.00 H new ATOM 0 HG SER A 6 -0.762 -17.033 22.040 1.00 0.00 H new ATOM 59 N GLY A 7 -2.500 -13.967 19.133 1.00 0.00 N ATOM 60 CA GLY A 7 -2.598 -14.021 17.686 1.00 0.00 C ATOM 61 C GLY A 7 -1.494 -13.241 17.001 1.00 0.00 C ATOM 62 O GLY A 7 -1.763 -12.315 16.236 1.00 0.00 O ATOM 0 H GLY A 7 -1.906 -13.221 19.495 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.560 -15.061 17.361 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.565 -13.625 17.375 1.00 0.00 H new ATOM 66 N GLU A 8 -0.249 -13.616 17.275 1.00 0.00 N ATOM 67 CA GLU A 8 0.900 -12.942 16.680 1.00 0.00 C ATOM 68 C GLU A 8 0.585 -12.483 15.260 1.00 0.00 C ATOM 69 O GLU A 8 0.662 -13.251 14.301 1.00 0.00 O ATOM 70 CB GLU A 8 2.115 -13.872 16.670 1.00 0.00 C ATOM 71 CG GLU A 8 2.964 -13.777 17.927 1.00 0.00 C ATOM 72 CD GLU A 8 4.410 -14.166 17.685 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.658 -15.335 17.324 1.00 0.00 O ATOM 74 OE2 GLU A 8 5.293 -13.299 17.855 1.00 0.00 O ATOM 0 H GLU A 8 -0.010 -14.382 17.904 1.00 0.00 H new ATOM 0 HA GLU A 8 1.128 -12.064 17.285 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.774 -14.900 16.549 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.735 -13.637 15.804 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.925 -12.758 18.311 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.541 -14.424 18.696 1.00 0.00 H new ATOM 81 N PRO A 9 0.221 -11.199 15.120 1.00 0.00 N ATOM 82 CA PRO A 9 -0.113 -10.608 13.821 1.00 0.00 C ATOM 83 C PRO A 9 1.109 -10.461 12.920 1.00 0.00 C ATOM 84 O PRO A 9 2.252 -10.475 13.376 1.00 0.00 O ATOM 85 CB PRO A 9 -0.672 -9.232 14.191 1.00 0.00 C ATOM 86 CG PRO A 9 -0.051 -8.912 15.508 1.00 0.00 C ATOM 87 CD PRO A 9 0.109 -10.226 16.220 1.00 0.00 C ATOM 0 HA PRO A 9 -0.809 -11.229 13.257 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.414 -8.485 13.440 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.760 -9.252 14.261 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.913 -8.420 15.376 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.681 -8.232 16.081 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.995 -10.234 16.855 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.745 -10.442 16.862 1.00 0.00 H new ATOM 95 N PRO A 10 0.863 -10.318 11.609 1.00 0.00 N ATOM 96 CA PRO A 10 1.931 -10.165 10.616 1.00 0.00 C ATOM 97 C PRO A 10 2.641 -8.821 10.730 1.00 0.00 C ATOM 98 O PRO A 10 2.282 -7.986 11.560 1.00 0.00 O ATOM 99 CB PRO A 10 1.190 -10.267 9.280 1.00 0.00 C ATOM 100 CG PRO A 10 -0.204 -9.841 9.587 1.00 0.00 C ATOM 101 CD PRO A 10 -0.475 -10.293 10.995 1.00 0.00 C ATOM 0 HA PRO A 10 2.715 -10.912 10.743 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.643 -9.624 8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.216 -11.284 8.889 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.310 -8.760 9.497 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.912 -10.290 8.890 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.143 -9.607 11.516 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.946 -11.276 11.018 1.00 0.00 H new ATOM 109 N LYS A 11 3.652 -8.617 9.892 1.00 0.00 N ATOM 110 CA LYS A 11 4.412 -7.374 9.897 1.00 0.00 C ATOM 111 C LYS A 11 3.930 -6.437 8.793 1.00 0.00 C ATOM 112 O LYS A 11 4.072 -6.734 7.606 1.00 0.00 O ATOM 113 CB LYS A 11 5.904 -7.663 9.719 1.00 0.00 C ATOM 114 CG LYS A 11 6.467 -8.617 10.758 1.00 0.00 C ATOM 115 CD LYS A 11 6.975 -7.873 11.981 1.00 0.00 C ATOM 116 CE LYS A 11 7.645 -8.816 12.969 1.00 0.00 C ATOM 117 NZ LYS A 11 7.616 -8.276 14.357 1.00 0.00 N ATOM 0 H LYS A 11 3.964 -9.298 9.200 1.00 0.00 H new ATOM 0 HA LYS A 11 4.255 -6.886 10.859 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.068 -8.082 8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.455 -6.724 9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.696 -9.327 11.057 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.280 -9.196 10.319 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.684 -7.104 11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.144 -7.363 12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.144 -9.784 12.945 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.678 -8.985 12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.082 -8.947 15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.116 -7.365 14.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.629 -8.139 14.655 1.00 0.00 H new ATOM 131 N LEU A 12 3.362 -5.304 9.192 1.00 0.00 N ATOM 132 CA LEU A 12 2.860 -4.322 8.236 1.00 0.00 C ATOM 133 C LEU A 12 2.381 -3.063 8.951 1.00 0.00 C ATOM 134 O LEU A 12 1.703 -3.138 9.976 1.00 0.00 O ATOM 135 CB LEU A 12 1.719 -4.921 7.412 1.00 0.00 C ATOM 136 CG LEU A 12 0.364 -5.019 8.113 1.00 0.00 C ATOM 137 CD1 LEU A 12 -0.760 -5.112 7.092 1.00 0.00 C ATOM 138 CD2 LEU A 12 0.335 -6.215 9.052 1.00 0.00 C ATOM 0 H LEU A 12 3.237 -5.042 10.170 1.00 0.00 H new ATOM 0 HA LEU A 12 3.677 -4.049 7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.596 -4.322 6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.014 -5.921 7.093 1.00 0.00 H new ATOM 0 HG LEU A 12 0.216 -4.115 8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.717 -5.181 7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.752 -4.224 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.617 -5.998 6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.637 -6.269 9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.506 -7.129 8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.116 -6.106 9.805 1.00 0.00 H new ATOM 150 N VAL A 13 2.735 -1.906 8.401 1.00 0.00 N ATOM 151 CA VAL A 13 2.338 -0.629 8.984 1.00 0.00 C ATOM 152 C VAL A 13 1.609 0.237 7.964 1.00 0.00 C ATOM 153 O VAL A 13 1.827 0.112 6.759 1.00 0.00 O ATOM 154 CB VAL A 13 3.556 0.145 9.523 1.00 0.00 C ATOM 155 CG1 VAL A 13 4.220 -0.624 10.654 1.00 0.00 C ATOM 156 CG2 VAL A 13 4.547 0.424 8.403 1.00 0.00 C ATOM 0 H VAL A 13 3.296 -1.826 7.553 1.00 0.00 H new ATOM 0 HA VAL A 13 1.665 -0.854 9.812 1.00 0.00 H new ATOM 0 HB VAL A 13 3.211 1.100 9.919 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.078 -0.062 11.022 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.506 -0.768 11.465 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.553 -1.595 10.287 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.401 0.971 8.801 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.888 -0.519 7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.063 1.020 7.629 1.00 0.00 H new ATOM 166 N ASN A 14 0.743 1.118 8.454 1.00 0.00 N ATOM 167 CA ASN A 14 -0.019 2.007 7.585 1.00 0.00 C ATOM 168 C ASN A 14 -0.736 3.081 8.398 1.00 0.00 C ATOM 169 O ASN A 14 -0.804 3.003 9.625 1.00 0.00 O ATOM 170 CB ASN A 14 -1.036 1.207 6.768 1.00 0.00 C ATOM 171 CG ASN A 14 -1.403 1.895 5.467 1.00 0.00 C ATOM 172 OD1 ASN A 14 -0.618 2.670 4.919 1.00 0.00 O ATOM 173 ND2 ASN A 14 -2.601 1.615 4.967 1.00 0.00 N ATOM 0 H ASN A 14 0.551 1.235 9.449 1.00 0.00 H new ATOM 0 HA ASN A 14 0.679 2.496 6.906 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.628 0.220 6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.937 1.056 7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.904 2.048 4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.219 0.967 5.455 1.00 0.00 H new ATOM 180 N ASP A 15 -1.268 4.082 7.706 1.00 0.00 N ATOM 181 CA ASP A 15 -1.982 5.171 8.363 1.00 0.00 C ATOM 182 C ASP A 15 -3.483 4.905 8.380 1.00 0.00 C ATOM 183 O ASP A 15 -4.086 4.756 9.444 1.00 0.00 O ATOM 184 CB ASP A 15 -1.694 6.497 7.656 1.00 0.00 C ATOM 185 CG ASP A 15 -0.214 6.710 7.404 1.00 0.00 C ATOM 186 OD1 ASP A 15 0.573 6.601 8.368 1.00 0.00 O ATOM 187 OD2 ASP A 15 0.156 6.984 6.244 1.00 0.00 O ATOM 0 H ASP A 15 -1.219 4.162 6.690 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.631 5.233 9.393 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.229 6.523 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.079 7.319 8.260 1.00 0.00 H new ATOM 192 N LYS A 16 -4.083 4.847 7.196 1.00 0.00 N ATOM 193 CA LYS A 16 -5.514 4.599 7.073 1.00 0.00 C ATOM 194 C LYS A 16 -5.778 3.256 6.398 1.00 0.00 C ATOM 195 O LYS A 16 -6.246 3.187 5.262 1.00 0.00 O ATOM 196 CB LYS A 16 -6.181 5.722 6.277 1.00 0.00 C ATOM 197 CG LYS A 16 -6.466 6.966 7.100 1.00 0.00 C ATOM 198 CD LYS A 16 -6.402 8.224 6.251 1.00 0.00 C ATOM 199 CE LYS A 16 -6.001 9.435 7.079 1.00 0.00 C ATOM 200 NZ LYS A 16 -6.057 10.693 6.284 1.00 0.00 N ATOM 0 H LYS A 16 -3.599 4.969 6.306 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.940 4.571 8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.540 5.991 5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.117 5.352 5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.453 6.884 7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.744 7.038 7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.686 8.082 5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.373 8.403 5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.662 9.521 7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.991 9.293 7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.777 11.495 6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.407 10.622 5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.026 10.842 5.937 1.00 0.00 H new ATOM 214 N PRO A 17 -5.472 2.163 7.113 1.00 0.00 N ATOM 215 CA PRO A 17 -5.669 0.803 6.603 1.00 0.00 C ATOM 216 C PRO A 17 -7.145 0.435 6.489 1.00 0.00 C ATOM 217 O PRO A 17 -7.905 0.576 7.447 1.00 0.00 O ATOM 218 CB PRO A 17 -4.979 -0.073 7.652 1.00 0.00 C ATOM 219 CG PRO A 17 -5.018 0.734 8.904 1.00 0.00 C ATOM 220 CD PRO A 17 -4.909 2.171 8.474 1.00 0.00 C ATOM 0 HA PRO A 17 -5.267 0.683 5.597 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.498 -1.023 7.777 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.954 -0.305 7.362 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.944 0.560 9.452 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.198 0.462 9.569 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.468 2.832 9.136 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.875 2.515 8.479 1.00 0.00 H new ATOM 228 N HIS A 18 -7.543 -0.036 5.312 1.00 0.00 N ATOM 229 CA HIS A 18 -8.929 -0.426 5.074 1.00 0.00 C ATOM 230 C HIS A 18 -9.370 -1.498 6.065 1.00 0.00 C ATOM 231 O HIS A 18 -8.674 -2.494 6.270 1.00 0.00 O ATOM 232 CB HIS A 18 -9.098 -0.937 3.643 1.00 0.00 C ATOM 233 CG HIS A 18 -8.920 0.126 2.602 1.00 0.00 C ATOM 234 ND1 HIS A 18 -9.863 1.101 2.354 1.00 0.00 N ATOM 235 CD2 HIS A 18 -7.900 0.364 1.746 1.00 0.00 C ATOM 236 CE1 HIS A 18 -9.431 1.892 1.388 1.00 0.00 C ATOM 237 NE2 HIS A 18 -8.242 1.466 1.002 1.00 0.00 N ATOM 0 H HIS A 18 -6.927 -0.157 4.508 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.557 0.454 5.215 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.377 -1.734 3.463 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.091 -1.375 3.537 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -6.987 -0.207 1.663 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.960 2.742 0.983 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.670 1.887 0.270 1.00 0.00 H new ATOM 245 N LYS A 19 -10.529 -1.288 6.679 1.00 0.00 N ATOM 246 CA LYS A 19 -11.064 -2.236 7.649 1.00 0.00 C ATOM 247 C LYS A 19 -12.395 -2.810 7.173 1.00 0.00 C ATOM 248 O LYS A 19 -13.438 -2.165 7.290 1.00 0.00 O ATOM 249 CB LYS A 19 -11.247 -1.558 9.009 1.00 0.00 C ATOM 250 CG LYS A 19 -10.060 -0.709 9.429 1.00 0.00 C ATOM 251 CD LYS A 19 -8.792 -1.538 9.540 1.00 0.00 C ATOM 252 CE LYS A 19 -8.674 -2.198 10.906 1.00 0.00 C ATOM 253 NZ LYS A 19 -8.613 -1.193 12.003 1.00 0.00 N ATOM 0 H LYS A 19 -11.116 -0.469 6.522 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.351 -3.054 7.750 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.138 -0.931 8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.423 -2.322 9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.910 0.092 8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.271 -0.236 10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.787 -2.303 8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.924 -0.902 9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.526 -2.858 11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.779 -2.820 10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.111 -1.599 12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.107 -0.347 11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.578 -0.930 12.287 1.00 0.00 H new ATOM 267 N PHE A 20 -12.353 -4.025 6.637 1.00 0.00 N ATOM 268 CA PHE A 20 -13.556 -4.685 6.143 1.00 0.00 C ATOM 269 C PHE A 20 -14.086 -5.686 7.166 1.00 0.00 C ATOM 270 O PHE A 20 -13.454 -5.936 8.192 1.00 0.00 O ATOM 271 CB PHE A 20 -13.266 -5.396 4.819 1.00 0.00 C ATOM 272 CG PHE A 20 -12.276 -4.671 3.954 1.00 0.00 C ATOM 273 CD1 PHE A 20 -12.699 -3.711 3.049 1.00 0.00 C ATOM 274 CD2 PHE A 20 -10.921 -4.951 4.044 1.00 0.00 C ATOM 275 CE1 PHE A 20 -11.790 -3.042 2.251 1.00 0.00 C ATOM 276 CE2 PHE A 20 -10.008 -4.284 3.249 1.00 0.00 C ATOM 277 CZ PHE A 20 -10.443 -3.330 2.351 1.00 0.00 C ATOM 0 H PHE A 20 -11.499 -4.573 6.534 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.318 -3.923 5.979 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -12.889 -6.397 5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -14.199 -5.516 4.268 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -13.751 -3.483 2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.575 -5.698 4.743 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.133 -2.295 1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.955 -4.509 3.330 1.00 0.00 H new ATOM 0 HZ PHE A 20 -9.731 -2.810 1.728 1.00 0.00 H new ATOM 287 N LYS A 21 -15.251 -6.256 6.878 1.00 0.00 N ATOM 288 CA LYS A 21 -15.868 -7.230 7.770 1.00 0.00 C ATOM 289 C LYS A 21 -16.739 -8.208 6.989 1.00 0.00 C ATOM 290 O LYS A 21 -17.405 -7.828 6.026 1.00 0.00 O ATOM 291 CB LYS A 21 -16.708 -6.519 8.833 1.00 0.00 C ATOM 292 CG LYS A 21 -17.389 -7.467 9.805 1.00 0.00 C ATOM 293 CD LYS A 21 -16.458 -7.868 10.937 1.00 0.00 C ATOM 294 CE LYS A 21 -16.257 -6.728 11.924 1.00 0.00 C ATOM 295 NZ LYS A 21 -15.379 -7.126 13.059 1.00 0.00 N ATOM 0 H LYS A 21 -15.787 -6.060 6.033 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.072 -7.791 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.069 -5.836 9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.467 -5.912 8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.279 -6.991 10.216 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.721 -8.358 9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.868 -8.733 11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.494 -8.170 10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.819 -5.874 11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.225 -6.406 12.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.267 -6.322 13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.809 -7.925 13.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.447 -7.409 12.694 1.00 0.00 H new ATOM 309 N ASP A 22 -16.730 -9.468 7.410 1.00 0.00 N ATOM 310 CA ASP A 22 -17.522 -10.500 6.751 1.00 0.00 C ATOM 311 C ASP A 22 -19.006 -10.151 6.785 1.00 0.00 C ATOM 312 O ASP A 22 -19.663 -10.284 7.818 1.00 0.00 O ATOM 313 CB ASP A 22 -17.289 -11.856 7.420 1.00 0.00 C ATOM 314 CG ASP A 22 -17.326 -11.769 8.933 1.00 0.00 C ATOM 315 OD1 ASP A 22 -16.377 -11.207 9.519 1.00 0.00 O ATOM 316 OD2 ASP A 22 -18.305 -12.263 9.531 1.00 0.00 O ATOM 0 H ASP A 22 -16.183 -9.799 8.205 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.205 -10.557 5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -18.048 -12.560 7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.324 -12.252 7.105 1.00 0.00 H new ATOM 321 N HIS A 23 -19.529 -9.701 5.648 1.00 0.00 N ATOM 322 CA HIS A 23 -20.937 -9.332 5.548 1.00 0.00 C ATOM 323 C HIS A 23 -21.517 -9.763 4.204 1.00 0.00 C ATOM 324 O HIS A 23 -20.785 -9.954 3.233 1.00 0.00 O ATOM 325 CB HIS A 23 -21.103 -7.823 5.728 1.00 0.00 C ATOM 326 CG HIS A 23 -22.445 -7.428 6.263 1.00 0.00 C ATOM 327 ND1 HIS A 23 -23.242 -6.473 5.668 1.00 0.00 N ATOM 328 CD2 HIS A 23 -23.132 -7.868 7.344 1.00 0.00 C ATOM 329 CE1 HIS A 23 -24.359 -6.340 6.361 1.00 0.00 C ATOM 330 NE2 HIS A 23 -24.317 -7.176 7.383 1.00 0.00 N ATOM 0 H HIS A 23 -19.000 -9.583 4.784 1.00 0.00 H new ATOM 0 HA HIS A 23 -21.480 -9.847 6.340 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -20.330 -7.459 6.404 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -20.944 -7.331 4.768 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -22.808 -8.623 8.045 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -25.169 -5.663 6.131 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -25.047 -7.289 8.087 1.00 0.00 H new ATOM 338 N PHE A 24 -22.836 -9.914 4.156 1.00 0.00 N ATOM 339 CA PHE A 24 -23.514 -10.324 2.932 1.00 0.00 C ATOM 340 C PHE A 24 -24.182 -9.131 2.254 1.00 0.00 C ATOM 341 O PHE A 24 -25.020 -8.454 2.849 1.00 0.00 O ATOM 342 CB PHE A 24 -24.558 -11.401 3.238 1.00 0.00 C ATOM 343 CG PHE A 24 -23.960 -12.733 3.588 1.00 0.00 C ATOM 344 CD1 PHE A 24 -23.259 -12.904 4.771 1.00 0.00 C ATOM 345 CD2 PHE A 24 -24.098 -13.815 2.734 1.00 0.00 C ATOM 346 CE1 PHE A 24 -22.707 -14.129 5.096 1.00 0.00 C ATOM 347 CE2 PHE A 24 -23.549 -15.043 3.054 1.00 0.00 C ATOM 348 CZ PHE A 24 -22.852 -15.199 4.236 1.00 0.00 C ATOM 0 H PHE A 24 -23.457 -9.759 4.950 1.00 0.00 H new ATOM 0 HA PHE A 24 -22.767 -10.734 2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -25.184 -11.064 4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -25.210 -11.520 2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -23.142 -12.070 5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -24.641 -13.698 1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.163 -14.249 6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -23.665 -15.879 2.380 1.00 0.00 H new ATOM 0 HZ PHE A 24 -22.421 -16.157 4.487 1.00 0.00 H new ATOM 358 N PHE A 25 -23.803 -8.880 1.005 1.00 0.00 N ATOM 359 CA PHE A 25 -24.363 -7.768 0.245 1.00 0.00 C ATOM 360 C PHE A 25 -25.681 -8.167 -0.412 1.00 0.00 C ATOM 361 O PHE A 25 -25.704 -8.959 -1.354 1.00 0.00 O ATOM 362 CB PHE A 25 -23.370 -7.300 -0.820 1.00 0.00 C ATOM 363 CG PHE A 25 -22.006 -6.988 -0.273 1.00 0.00 C ATOM 364 CD1 PHE A 25 -21.119 -8.006 0.034 1.00 0.00 C ATOM 365 CD2 PHE A 25 -21.612 -5.676 -0.067 1.00 0.00 C ATOM 366 CE1 PHE A 25 -19.863 -7.722 0.537 1.00 0.00 C ATOM 367 CE2 PHE A 25 -20.358 -5.386 0.436 1.00 0.00 C ATOM 368 CZ PHE A 25 -19.483 -6.410 0.739 1.00 0.00 C ATOM 0 H PHE A 25 -23.111 -9.431 0.498 1.00 0.00 H new ATOM 0 HA PHE A 25 -24.556 -6.948 0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -23.278 -8.072 -1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -23.768 -6.412 -1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -21.412 -9.034 -0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -22.292 -4.871 -0.302 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -19.180 -8.525 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -20.063 -4.359 0.592 1.00 0.00 H new ATOM 0 HZ PHE A 25 -18.503 -6.185 1.133 1.00 0.00 H new ATOM 378 N LYS A 26 -26.778 -7.613 0.093 1.00 0.00 N ATOM 379 CA LYS A 26 -28.101 -7.909 -0.443 1.00 0.00 C ATOM 380 C LYS A 26 -28.090 -7.877 -1.968 1.00 0.00 C ATOM 381 O LYS A 26 -28.650 -8.756 -2.622 1.00 0.00 O ATOM 382 CB LYS A 26 -29.127 -6.906 0.091 1.00 0.00 C ATOM 383 CG LYS A 26 -29.728 -7.304 1.428 1.00 0.00 C ATOM 384 CD LYS A 26 -30.539 -6.172 2.034 1.00 0.00 C ATOM 385 CE LYS A 26 -31.995 -6.233 1.598 1.00 0.00 C ATOM 386 NZ LYS A 26 -32.166 -5.823 0.177 1.00 0.00 N ATOM 0 H LYS A 26 -26.777 -6.956 0.873 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.380 -8.912 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -28.651 -5.931 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.928 -6.795 -0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -30.365 -8.179 1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -28.932 -7.591 2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -30.481 -6.223 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -30.109 -5.215 1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -32.372 -7.247 1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -32.593 -5.584 2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -33.111 -5.408 0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -31.442 -5.119 -0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -32.065 -6.655 -0.439 1.00 0.00 H new ATOM 400 N LYS A 27 -27.447 -6.858 -2.529 1.00 0.00 N ATOM 401 CA LYS A 27 -27.360 -6.712 -3.977 1.00 0.00 C ATOM 402 C LYS A 27 -25.947 -7.007 -4.469 1.00 0.00 C ATOM 403 O LYS A 27 -24.965 -6.843 -3.745 1.00 0.00 O ATOM 404 CB LYS A 27 -27.772 -5.298 -4.394 1.00 0.00 C ATOM 405 CG LYS A 27 -26.740 -4.238 -4.052 1.00 0.00 C ATOM 406 CD LYS A 27 -27.082 -2.901 -4.688 1.00 0.00 C ATOM 407 CE LYS A 27 -26.588 -1.738 -3.842 1.00 0.00 C ATOM 408 NZ LYS A 27 -27.286 -1.674 -2.527 1.00 0.00 N ATOM 0 H LYS A 27 -26.978 -6.121 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 27 -28.042 -7.431 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -27.953 -5.283 -5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -28.715 -5.045 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -26.681 -4.123 -2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -25.757 -4.563 -4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.636 -2.845 -5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -28.161 -2.825 -4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -25.515 -1.837 -3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -26.744 -0.804 -4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -27.306 -0.690 -2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -28.260 -2.024 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.780 -2.264 -1.836 1.00 0.00 H new ATOM 422 N PRO A 28 -25.839 -7.450 -5.731 1.00 0.00 N ATOM 423 CA PRO A 28 -24.549 -7.774 -6.348 1.00 0.00 C ATOM 424 C PRO A 28 -23.703 -6.533 -6.608 1.00 0.00 C ATOM 425 O PRO A 28 -23.934 -5.801 -7.571 1.00 0.00 O ATOM 426 CB PRO A 28 -24.946 -8.438 -7.669 1.00 0.00 C ATOM 427 CG PRO A 28 -26.296 -7.889 -7.979 1.00 0.00 C ATOM 428 CD PRO A 28 -26.967 -7.668 -6.651 1.00 0.00 C ATOM 0 HA PRO A 28 -23.936 -8.405 -5.705 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -24.233 -8.204 -8.459 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -24.972 -9.524 -7.574 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -26.219 -6.956 -8.538 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -26.868 -8.583 -8.595 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -27.636 -6.808 -6.677 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -27.566 -8.529 -6.355 1.00 0.00 H new ATOM 436 N LYS A 29 -22.720 -6.301 -5.744 1.00 0.00 N ATOM 437 CA LYS A 29 -21.837 -5.149 -5.881 1.00 0.00 C ATOM 438 C LYS A 29 -20.630 -5.489 -6.750 1.00 0.00 C ATOM 439 O LYS A 29 -20.393 -6.653 -7.072 1.00 0.00 O ATOM 440 CB LYS A 29 -21.369 -4.673 -4.504 1.00 0.00 C ATOM 441 CG LYS A 29 -22.381 -3.794 -3.788 1.00 0.00 C ATOM 442 CD LYS A 29 -22.333 -2.362 -4.295 1.00 0.00 C ATOM 443 CE LYS A 29 -22.646 -1.369 -3.187 1.00 0.00 C ATOM 444 NZ LYS A 29 -22.134 -0.006 -3.503 1.00 0.00 N ATOM 0 H LYS A 29 -22.515 -6.896 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 29 -22.397 -4.349 -6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -21.151 -5.542 -3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -20.436 -4.121 -4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -23.383 -4.199 -3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -22.183 -3.808 -2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -21.345 -2.153 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -23.048 -2.239 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -23.724 -1.325 -3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -22.204 -1.716 -2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -22.367 0.642 -2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -21.102 -0.043 -3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -22.575 0.336 -4.381 1.00 0.00 H new ATOM 458 N PHE A 30 -19.869 -4.466 -7.124 1.00 0.00 N ATOM 459 CA PHE A 30 -18.686 -4.657 -7.955 1.00 0.00 C ATOM 460 C PHE A 30 -17.418 -4.295 -7.187 1.00 0.00 C ATOM 461 O PHE A 30 -17.376 -3.293 -6.471 1.00 0.00 O ATOM 462 CB PHE A 30 -18.786 -3.809 -9.225 1.00 0.00 C ATOM 463 CG PHE A 30 -19.593 -4.455 -10.314 1.00 0.00 C ATOM 464 CD1 PHE A 30 -20.936 -4.740 -10.123 1.00 0.00 C ATOM 465 CD2 PHE A 30 -19.010 -4.776 -11.529 1.00 0.00 C ATOM 466 CE1 PHE A 30 -21.681 -5.335 -11.124 1.00 0.00 C ATOM 467 CE2 PHE A 30 -19.750 -5.370 -12.534 1.00 0.00 C ATOM 468 CZ PHE A 30 -21.088 -5.649 -12.331 1.00 0.00 C ATOM 0 H PHE A 30 -20.050 -3.496 -6.865 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.634 -5.710 -8.233 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -19.232 -2.846 -8.975 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -17.782 -3.608 -9.598 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.405 -4.495 -9.182 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -17.965 -4.560 -11.693 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -22.726 -5.554 -10.962 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -19.283 -5.616 -13.476 1.00 0.00 H new ATOM 0 HZ PHE A 30 -21.669 -6.112 -13.115 1.00 0.00 H new ATOM 478 N CYS A 31 -16.385 -5.117 -7.340 1.00 0.00 N ATOM 479 CA CYS A 31 -15.116 -4.886 -6.662 1.00 0.00 C ATOM 480 C CYS A 31 -14.453 -3.607 -7.167 1.00 0.00 C ATOM 481 O CYS A 31 -14.858 -3.048 -8.186 1.00 0.00 O ATOM 482 CB CYS A 31 -14.178 -6.076 -6.871 1.00 0.00 C ATOM 483 SG CYS A 31 -14.483 -7.471 -5.740 1.00 0.00 S ATOM 0 H CYS A 31 -16.403 -5.950 -7.928 1.00 0.00 H new ATOM 0 HA CYS A 31 -15.318 -4.773 -5.597 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.277 -6.427 -7.898 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.149 -5.740 -6.747 1.00 0.00 H new ATOM 488 N ASP A 32 -13.434 -3.151 -6.447 1.00 0.00 N ATOM 489 CA ASP A 32 -12.715 -1.940 -6.823 1.00 0.00 C ATOM 490 C ASP A 32 -11.315 -2.274 -7.329 1.00 0.00 C ATOM 491 O ASP A 32 -10.691 -1.478 -8.030 1.00 0.00 O ATOM 492 CB ASP A 32 -12.625 -0.985 -5.631 1.00 0.00 C ATOM 493 CG ASP A 32 -12.336 0.442 -6.054 1.00 0.00 C ATOM 494 OD1 ASP A 32 -13.264 1.112 -6.553 1.00 0.00 O ATOM 495 OD2 ASP A 32 -11.182 0.889 -5.887 1.00 0.00 O ATOM 0 H ASP A 32 -13.088 -3.602 -5.600 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.267 -1.454 -7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.562 -1.013 -5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.842 -1.326 -4.954 1.00 0.00 H new ATOM 500 N VAL A 33 -10.828 -3.457 -6.969 1.00 0.00 N ATOM 501 CA VAL A 33 -9.502 -3.897 -7.386 1.00 0.00 C ATOM 502 C VAL A 33 -9.580 -4.769 -8.634 1.00 0.00 C ATOM 503 O VAL A 33 -8.952 -4.474 -9.652 1.00 0.00 O ATOM 504 CB VAL A 33 -8.793 -4.683 -6.268 1.00 0.00 C ATOM 505 CG1 VAL A 33 -7.372 -5.037 -6.681 1.00 0.00 C ATOM 506 CG2 VAL A 33 -8.798 -3.886 -4.972 1.00 0.00 C ATOM 0 H VAL A 33 -11.332 -4.128 -6.389 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.926 -2.999 -7.609 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.338 -5.612 -6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.887 -5.592 -5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.397 -5.650 -7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.812 -4.123 -6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.293 -4.456 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.278 -2.940 -5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.827 -3.690 -4.669 1.00 0.00 H new ATOM 516 N CYS A 34 -10.356 -5.845 -8.550 1.00 0.00 N ATOM 517 CA CYS A 34 -10.518 -6.762 -9.672 1.00 0.00 C ATOM 518 C CYS A 34 -11.589 -6.259 -10.635 1.00 0.00 C ATOM 519 O CYS A 34 -11.488 -6.449 -11.846 1.00 0.00 O ATOM 520 CB CYS A 34 -10.884 -8.159 -9.167 1.00 0.00 C ATOM 521 SG CYS A 34 -12.621 -8.328 -8.645 1.00 0.00 S ATOM 0 H CYS A 34 -10.883 -6.103 -7.716 1.00 0.00 H new ATOM 0 HA CYS A 34 -9.570 -6.814 -10.207 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.680 -8.884 -9.955 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.237 -8.411 -8.327 1.00 0.00 H new ATOM 526 N ALA A 35 -12.615 -5.616 -10.087 1.00 0.00 N ATOM 527 CA ALA A 35 -13.704 -5.084 -10.896 1.00 0.00 C ATOM 528 C ALA A 35 -14.609 -6.202 -11.402 1.00 0.00 C ATOM 529 O ALA A 35 -15.024 -6.200 -12.561 1.00 0.00 O ATOM 530 CB ALA A 35 -13.150 -4.281 -12.064 1.00 0.00 C ATOM 0 H ALA A 35 -12.714 -5.451 -9.085 1.00 0.00 H new ATOM 0 HA ALA A 35 -14.302 -4.425 -10.267 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.974 -3.890 -12.660 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.551 -3.453 -11.685 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.527 -4.925 -12.685 1.00 0.00 H new ATOM 536 N ARG A 36 -14.910 -7.155 -10.526 1.00 0.00 N ATOM 537 CA ARG A 36 -15.764 -8.280 -10.886 1.00 0.00 C ATOM 538 C ARG A 36 -16.952 -8.388 -9.933 1.00 0.00 C ATOM 539 O ARG A 36 -16.779 -8.471 -8.717 1.00 0.00 O ATOM 540 CB ARG A 36 -14.963 -9.583 -10.867 1.00 0.00 C ATOM 541 CG ARG A 36 -13.938 -9.683 -11.985 1.00 0.00 C ATOM 542 CD ARG A 36 -14.528 -10.337 -13.225 1.00 0.00 C ATOM 543 NE ARG A 36 -13.533 -10.505 -14.281 1.00 0.00 N ATOM 544 CZ ARG A 36 -13.625 -11.421 -15.238 1.00 0.00 C ATOM 545 NH1 ARG A 36 -14.662 -12.247 -15.272 1.00 0.00 N ATOM 546 NH2 ARG A 36 -12.679 -11.513 -16.164 1.00 0.00 N ATOM 0 H ARG A 36 -14.575 -7.170 -9.563 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.142 -8.108 -11.894 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.452 -9.672 -9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.652 -10.424 -10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.574 -8.687 -12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.079 -10.260 -11.642 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.943 -11.309 -12.959 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.353 -9.730 -13.597 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.723 -9.885 -14.283 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.391 -12.180 -14.562 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.730 -12.950 -16.008 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.880 -10.880 -16.141 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.751 -12.217 -16.898 1.00 0.00 H new ATOM 560 N MET A 37 -18.156 -8.384 -10.494 1.00 0.00 N ATOM 561 CA MET A 37 -19.372 -8.482 -9.694 1.00 0.00 C ATOM 562 C MET A 37 -19.244 -9.579 -8.642 1.00 0.00 C ATOM 563 O MET A 37 -18.967 -10.734 -8.967 1.00 0.00 O ATOM 564 CB MET A 37 -20.578 -8.759 -10.593 1.00 0.00 C ATOM 565 CG MET A 37 -20.716 -10.219 -10.992 1.00 0.00 C ATOM 566 SD MET A 37 -21.756 -10.447 -12.447 1.00 0.00 S ATOM 567 CE MET A 37 -23.312 -9.783 -11.858 1.00 0.00 C ATOM 0 H MET A 37 -18.316 -8.314 -11.499 1.00 0.00 H new ATOM 0 HA MET A 37 -19.519 -7.530 -9.184 1.00 0.00 H new ATOM 0 HB2 MET A 37 -21.485 -8.445 -10.077 1.00 0.00 H new ATOM 0 HB3 MET A 37 -20.497 -8.151 -11.494 1.00 0.00 H new ATOM 0 HG2 MET A 37 -19.727 -10.633 -11.189 1.00 0.00 H new ATOM 0 HG3 MET A 37 -21.136 -10.781 -10.158 1.00 0.00 H new ATOM 0 HE1 MET A 37 -24.090 -9.966 -12.600 1.00 0.00 H new ATOM 0 HE2 MET A 37 -23.583 -10.269 -10.921 1.00 0.00 H new ATOM 0 HE3 MET A 37 -23.211 -8.710 -11.695 1.00 0.00 H new ATOM 577 N ILE A 38 -19.447 -9.210 -7.382 1.00 0.00 N ATOM 578 CA ILE A 38 -19.355 -10.164 -6.284 1.00 0.00 C ATOM 579 C ILE A 38 -20.692 -10.857 -6.044 1.00 0.00 C ATOM 580 O ILE A 38 -21.598 -10.287 -5.436 1.00 0.00 O ATOM 581 CB ILE A 38 -18.903 -9.480 -4.980 1.00 0.00 C ATOM 582 CG1 ILE A 38 -17.575 -8.750 -5.195 1.00 0.00 C ATOM 583 CG2 ILE A 38 -18.776 -10.503 -3.861 1.00 0.00 C ATOM 584 CD1 ILE A 38 -17.404 -7.534 -4.312 1.00 0.00 C ATOM 0 H ILE A 38 -19.676 -8.258 -7.096 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.610 -10.906 -6.573 1.00 0.00 H new ATOM 0 HB ILE A 38 -19.657 -8.747 -4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.755 -9.443 -5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.503 -8.444 -6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.456 -10.004 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -19.741 -10.982 -3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.040 -11.257 -4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.441 -7.067 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.204 -6.822 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -17.444 -7.836 -3.265 1.00 0.00 H new ATOM 596 N VAL A 39 -20.807 -12.091 -6.523 1.00 0.00 N ATOM 597 CA VAL A 39 -22.032 -12.864 -6.358 1.00 0.00 C ATOM 598 C VAL A 39 -21.738 -14.246 -5.786 1.00 0.00 C ATOM 599 O VAL A 39 -22.577 -14.843 -5.110 1.00 0.00 O ATOM 600 CB VAL A 39 -22.780 -13.023 -7.696 1.00 0.00 C ATOM 601 CG1 VAL A 39 -21.860 -13.611 -8.755 1.00 0.00 C ATOM 602 CG2 VAL A 39 -24.018 -13.888 -7.514 1.00 0.00 C ATOM 0 H VAL A 39 -20.067 -12.577 -7.029 1.00 0.00 H new ATOM 0 HA VAL A 39 -22.662 -12.312 -5.661 1.00 0.00 H new ATOM 0 HB VAL A 39 -23.100 -12.037 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -22.405 -13.716 -9.693 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -21.007 -12.949 -8.904 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -21.508 -14.590 -8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -24.534 -13.990 -8.469 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -23.723 -14.874 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -24.685 -13.421 -6.789 1.00 0.00 H new ATOM 612 N LEU A 40 -20.539 -14.750 -6.060 1.00 0.00 N ATOM 613 CA LEU A 40 -20.132 -16.063 -5.571 1.00 0.00 C ATOM 614 C LEU A 40 -20.195 -16.121 -4.048 1.00 0.00 C ATOM 615 O LEU A 40 -20.001 -15.113 -3.371 1.00 0.00 O ATOM 616 CB LEU A 40 -18.716 -16.390 -6.048 1.00 0.00 C ATOM 617 CG LEU A 40 -18.538 -16.564 -7.556 1.00 0.00 C ATOM 618 CD1 LEU A 40 -17.069 -16.461 -7.937 1.00 0.00 C ATOM 619 CD2 LEU A 40 -19.118 -17.895 -8.011 1.00 0.00 C ATOM 0 H LEU A 40 -19.833 -14.270 -6.618 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.824 -16.803 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.049 -15.595 -5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -18.391 -17.307 -5.556 1.00 0.00 H new ATOM 0 HG LEU A 40 -19.079 -15.763 -8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.963 -16.588 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -16.686 -15.483 -7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.504 -17.239 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -18.983 -18.002 -9.087 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -18.606 -18.709 -7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -20.181 -17.929 -7.774 1.00 0.00 H new ATOM 631 N ASN A 41 -20.465 -17.309 -3.517 1.00 0.00 N ATOM 632 CA ASN A 41 -20.551 -17.499 -2.074 1.00 0.00 C ATOM 633 C ASN A 41 -21.689 -16.673 -1.483 1.00 0.00 C ATOM 634 O ASN A 41 -21.540 -16.057 -0.429 1.00 0.00 O ATOM 635 CB ASN A 41 -19.228 -17.115 -1.408 1.00 0.00 C ATOM 636 CG ASN A 41 -18.196 -18.224 -1.490 1.00 0.00 C ATOM 637 OD1 ASN A 41 -18.354 -19.280 -0.878 1.00 0.00 O ATOM 638 ND2 ASN A 41 -17.133 -17.987 -2.249 1.00 0.00 N ATOM 0 H ASN A 41 -20.628 -18.154 -4.064 1.00 0.00 H new ATOM 0 HA ASN A 41 -20.754 -18.553 -1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -18.832 -16.218 -1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -19.409 -16.868 -0.362 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -16.405 -18.695 -2.343 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -17.044 -17.096 -2.738 1.00 0.00 H new ATOM 645 N ASN A 42 -22.826 -16.665 -2.171 1.00 0.00 N ATOM 646 CA ASN A 42 -23.990 -15.914 -1.715 1.00 0.00 C ATOM 647 C ASN A 42 -23.638 -14.447 -1.491 1.00 0.00 C ATOM 648 O ASN A 42 -24.020 -13.851 -0.484 1.00 0.00 O ATOM 649 CB ASN A 42 -24.540 -16.521 -0.422 1.00 0.00 C ATOM 650 CG ASN A 42 -26.033 -16.301 -0.270 1.00 0.00 C ATOM 651 OD1 ASN A 42 -26.830 -16.809 -1.059 1.00 0.00 O ATOM 652 ND2 ASN A 42 -26.418 -15.541 0.748 1.00 0.00 N ATOM 0 H ASN A 42 -22.966 -17.170 -3.046 1.00 0.00 H new ATOM 0 HA ASN A 42 -24.754 -15.971 -2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -24.330 -17.590 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -24.022 -16.083 0.431 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -27.410 -15.358 0.901 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -25.722 -15.140 1.377 1.00 0.00 H new ATOM 659 N LYS A 43 -22.907 -13.869 -2.438 1.00 0.00 N ATOM 660 CA LYS A 43 -22.503 -12.471 -2.347 1.00 0.00 C ATOM 661 C LYS A 43 -21.738 -12.208 -1.054 1.00 0.00 C ATOM 662 O LYS A 43 -21.975 -11.211 -0.372 1.00 0.00 O ATOM 663 CB LYS A 43 -23.730 -11.559 -2.420 1.00 0.00 C ATOM 664 CG LYS A 43 -24.457 -11.622 -3.753 1.00 0.00 C ATOM 665 CD LYS A 43 -25.768 -10.857 -3.709 1.00 0.00 C ATOM 666 CE LYS A 43 -26.640 -11.176 -4.915 1.00 0.00 C ATOM 667 NZ LYS A 43 -27.862 -10.326 -4.955 1.00 0.00 N ATOM 0 H LYS A 43 -22.582 -14.348 -3.278 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.845 -12.254 -3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.423 -11.832 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.420 -10.531 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -23.820 -11.210 -4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -24.650 -12.662 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -26.305 -11.106 -2.794 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -25.565 -9.786 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -26.064 -11.028 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -26.929 -12.227 -4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -28.150 -10.178 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -28.630 -10.798 -4.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -27.660 -9.407 -4.512 1.00 0.00 H new ATOM 681 N PHE A 44 -20.818 -13.108 -0.723 1.00 0.00 N ATOM 682 CA PHE A 44 -20.017 -12.974 0.488 1.00 0.00 C ATOM 683 C PHE A 44 -18.631 -12.424 0.165 1.00 0.00 C ATOM 684 O PHE A 44 -17.873 -13.027 -0.593 1.00 0.00 O ATOM 685 CB PHE A 44 -19.891 -14.325 1.194 1.00 0.00 C ATOM 686 CG PHE A 44 -18.725 -14.401 2.139 1.00 0.00 C ATOM 687 CD1 PHE A 44 -18.785 -13.796 3.384 1.00 0.00 C ATOM 688 CD2 PHE A 44 -17.570 -15.077 1.781 1.00 0.00 C ATOM 689 CE1 PHE A 44 -17.714 -13.865 4.255 1.00 0.00 C ATOM 690 CE2 PHE A 44 -16.496 -15.149 2.648 1.00 0.00 C ATOM 691 CZ PHE A 44 -16.568 -14.541 3.886 1.00 0.00 C ATOM 0 H PHE A 44 -20.609 -13.939 -1.277 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.521 -12.272 1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -20.809 -14.525 1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -19.793 -15.110 0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -19.678 -13.265 3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.508 -15.553 0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -17.773 -13.391 5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -15.602 -15.680 2.358 1.00 0.00 H new ATOM 0 HZ PHE A 44 -15.729 -14.594 4.564 1.00 0.00 H new ATOM 701 N GLY A 45 -18.307 -11.273 0.748 1.00 0.00 N ATOM 702 CA GLY A 45 -17.013 -10.660 0.510 1.00 0.00 C ATOM 703 C GLY A 45 -16.527 -9.853 1.697 1.00 0.00 C ATOM 704 O GLY A 45 -16.673 -10.274 2.845 1.00 0.00 O ATOM 0 H GLY A 45 -18.917 -10.755 1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -16.284 -11.436 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.077 -10.012 -0.364 1.00 0.00 H new ATOM 708 N LEU A 46 -15.945 -8.691 1.422 1.00 0.00 N ATOM 709 CA LEU A 46 -15.433 -7.823 2.476 1.00 0.00 C ATOM 710 C LEU A 46 -15.881 -6.380 2.259 1.00 0.00 C ATOM 711 O LEU A 46 -15.547 -5.762 1.248 1.00 0.00 O ATOM 712 CB LEU A 46 -13.906 -7.893 2.526 1.00 0.00 C ATOM 713 CG LEU A 46 -13.311 -9.212 3.020 1.00 0.00 C ATOM 714 CD1 LEU A 46 -11.793 -9.175 2.940 1.00 0.00 C ATOM 715 CD2 LEU A 46 -13.765 -9.503 4.442 1.00 0.00 C ATOM 0 H LEU A 46 -15.816 -8.328 0.477 1.00 0.00 H new ATOM 0 HA LEU A 46 -15.837 -8.171 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -13.520 -7.695 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.546 -7.091 3.171 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.669 -10.014 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.387 -10.122 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.487 -9.014 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.416 -8.362 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -13.332 -10.446 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.437 -8.699 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.852 -9.574 4.470 1.00 0.00 H new ATOM 727 N ARG A 47 -16.636 -5.850 3.216 1.00 0.00 N ATOM 728 CA ARG A 47 -17.128 -4.480 3.130 1.00 0.00 C ATOM 729 C ARG A 47 -16.414 -3.582 4.136 1.00 0.00 C ATOM 730 O ARG A 47 -16.393 -3.868 5.334 1.00 0.00 O ATOM 731 CB ARG A 47 -18.637 -4.442 3.375 1.00 0.00 C ATOM 732 CG ARG A 47 -19.256 -3.071 3.151 1.00 0.00 C ATOM 733 CD ARG A 47 -20.572 -2.926 3.899 1.00 0.00 C ATOM 734 NE ARG A 47 -20.371 -2.785 5.338 1.00 0.00 N ATOM 735 CZ ARG A 47 -21.366 -2.670 6.211 1.00 0.00 C ATOM 736 NH1 ARG A 47 -22.624 -2.680 5.793 1.00 0.00 N ATOM 737 NH2 ARG A 47 -21.103 -2.546 7.506 1.00 0.00 N ATOM 0 H ARG A 47 -16.920 -6.348 4.059 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.921 -4.108 2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.122 -5.162 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.839 -4.760 4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.561 -2.298 3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.423 -2.915 2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -21.110 -2.056 3.521 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -21.198 -3.797 3.704 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.415 -2.774 5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.830 -2.776 4.799 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.386 -2.592 6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.136 -2.539 7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -21.867 -2.458 8.175 1.00 0.00 H new ATOM 751 N CYS A 48 -15.830 -2.496 3.642 1.00 0.00 N ATOM 752 CA CYS A 48 -15.115 -1.556 4.496 1.00 0.00 C ATOM 753 C CYS A 48 -16.090 -0.714 5.314 1.00 0.00 C ATOM 754 O CYS A 48 -16.970 -0.052 4.763 1.00 0.00 O ATOM 755 CB CYS A 48 -14.221 -0.645 3.651 1.00 0.00 C ATOM 756 SG CYS A 48 -12.708 -0.092 4.502 1.00 0.00 S ATOM 0 H CYS A 48 -15.838 -2.245 2.653 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.492 -2.129 5.183 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -13.940 -1.173 2.740 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.795 0.230 3.348 1.00 0.00 H new ATOM 761 N LYS A 49 -15.926 -0.743 6.632 1.00 0.00 N ATOM 762 CA LYS A 49 -16.789 0.018 7.528 1.00 0.00 C ATOM 763 C LYS A 49 -16.374 1.485 7.568 1.00 0.00 C ATOM 764 O LYS A 49 -16.796 2.236 8.446 1.00 0.00 O ATOM 765 CB LYS A 49 -16.744 -0.574 8.938 1.00 0.00 C ATOM 766 CG LYS A 49 -18.029 -0.375 9.723 1.00 0.00 C ATOM 767 CD LYS A 49 -17.865 -0.788 11.176 1.00 0.00 C ATOM 768 CE LYS A 49 -17.244 0.326 12.005 1.00 0.00 C ATOM 769 NZ LYS A 49 -18.168 1.484 12.159 1.00 0.00 N ATOM 0 H LYS A 49 -15.203 -1.286 7.104 1.00 0.00 H new ATOM 0 HA LYS A 49 -17.809 -0.043 7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.532 -1.641 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.919 -0.121 9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.328 0.672 9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.829 -0.958 9.266 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.837 -1.054 11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.239 -1.678 11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.977 -0.059 12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.320 0.659 11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.885 2.047 12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.126 2.077 11.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.140 1.138 12.292 1.00 0.00 H new ATOM 783 N ASN A 50 -15.545 1.887 6.609 1.00 0.00 N ATOM 784 CA ASN A 50 -15.074 3.265 6.535 1.00 0.00 C ATOM 785 C ASN A 50 -15.457 3.900 5.202 1.00 0.00 C ATOM 786 O ASN A 50 -16.097 4.952 5.164 1.00 0.00 O ATOM 787 CB ASN A 50 -13.556 3.317 6.719 1.00 0.00 C ATOM 788 CG ASN A 50 -13.140 3.084 8.159 1.00 0.00 C ATOM 789 OD1 ASN A 50 -13.440 3.888 9.042 1.00 0.00 O ATOM 790 ND2 ASN A 50 -12.444 1.980 8.402 1.00 0.00 N ATOM 0 H ASN A 50 -15.186 1.278 5.873 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.551 3.829 7.337 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.090 2.565 6.083 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.186 4.288 6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.135 1.770 9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.218 1.342 7.639 1.00 0.00 H new ATOM 797 N CYS A 51 -15.063 3.254 4.110 1.00 0.00 N ATOM 798 CA CYS A 51 -15.365 3.754 2.774 1.00 0.00 C ATOM 799 C CYS A 51 -16.526 2.982 2.154 1.00 0.00 C ATOM 800 O CYS A 51 -17.087 3.392 1.137 1.00 0.00 O ATOM 801 CB CYS A 51 -14.131 3.649 1.876 1.00 0.00 C ATOM 802 SG CYS A 51 -13.469 1.959 1.717 1.00 0.00 S ATOM 0 H CYS A 51 -14.533 2.382 4.124 1.00 0.00 H new ATOM 0 HA CYS A 51 -15.654 4.801 2.862 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -14.384 4.024 0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.350 4.298 2.272 1.00 0.00 H new ATOM 807 N LYS A 52 -16.882 1.861 2.773 1.00 0.00 N ATOM 808 CA LYS A 52 -17.976 1.031 2.284 1.00 0.00 C ATOM 809 C LYS A 52 -17.665 0.483 0.895 1.00 0.00 C ATOM 810 O LYS A 52 -18.471 0.606 -0.028 1.00 0.00 O ATOM 811 CB LYS A 52 -19.277 1.836 2.247 1.00 0.00 C ATOM 812 CG LYS A 52 -20.003 1.881 3.580 1.00 0.00 C ATOM 813 CD LYS A 52 -19.267 2.748 4.587 1.00 0.00 C ATOM 814 CE LYS A 52 -19.736 4.194 4.527 1.00 0.00 C ATOM 815 NZ LYS A 52 -18.889 5.015 3.618 1.00 0.00 N ATOM 0 H LYS A 52 -16.428 1.507 3.615 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.095 0.191 2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -19.055 2.855 1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -19.940 1.405 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.011 2.268 3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -20.104 0.870 3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -19.425 2.355 5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.195 2.704 4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -20.771 4.226 4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.716 4.624 5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.980 6.019 3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.895 4.723 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.199 4.877 2.635 1.00 0.00 H new ATOM 829 N THR A 53 -16.491 -0.125 0.753 1.00 0.00 N ATOM 830 CA THR A 53 -16.074 -0.692 -0.523 1.00 0.00 C ATOM 831 C THR A 53 -16.220 -2.210 -0.524 1.00 0.00 C ATOM 832 O THR A 53 -16.129 -2.852 0.521 1.00 0.00 O ATOM 833 CB THR A 53 -14.613 -0.328 -0.849 1.00 0.00 C ATOM 834 OG1 THR A 53 -14.363 -0.509 -2.247 1.00 0.00 O ATOM 835 CG2 THR A 53 -13.649 -1.185 -0.042 1.00 0.00 C ATOM 0 H THR A 53 -15.812 -0.237 1.506 1.00 0.00 H new ATOM 0 HA THR A 53 -16.726 -0.266 -1.286 1.00 0.00 H new ATOM 0 HB THR A 53 -14.455 0.717 -0.584 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.433 -0.274 -2.446 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.624 -0.910 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.822 -1.023 1.022 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.810 -2.236 -0.280 1.00 0.00 H new ATOM 843 N ASN A 54 -16.447 -2.777 -1.705 1.00 0.00 N ATOM 844 CA ASN A 54 -16.605 -4.220 -1.841 1.00 0.00 C ATOM 845 C ASN A 54 -15.375 -4.843 -2.493 1.00 0.00 C ATOM 846 O ASN A 54 -14.891 -4.361 -3.517 1.00 0.00 O ATOM 847 CB ASN A 54 -17.852 -4.541 -2.668 1.00 0.00 C ATOM 848 CG ASN A 54 -18.967 -3.537 -2.447 1.00 0.00 C ATOM 849 OD1 ASN A 54 -19.141 -2.627 -3.399 1.00 0.00 O flip ATOM 850 ND2 ASN A 54 -19.663 -3.579 -1.433 1.00 0.00 N flip ATOM 0 H ASN A 54 -16.525 -2.259 -2.580 1.00 0.00 H new ATOM 0 HA ASN A 54 -16.719 -4.644 -0.843 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.588 -4.560 -3.725 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -18.209 -5.538 -2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.494 -4.296 -0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.409 -2.897 -1.298 1.00 0.00 H new ATOM 857 N ILE A 55 -14.875 -5.918 -1.893 1.00 0.00 N ATOM 858 CA ILE A 55 -13.702 -6.608 -2.415 1.00 0.00 C ATOM 859 C ILE A 55 -13.685 -8.070 -1.981 1.00 0.00 C ATOM 860 O ILE A 55 -14.053 -8.397 -0.852 1.00 0.00 O ATOM 861 CB ILE A 55 -12.398 -5.932 -1.953 1.00 0.00 C ATOM 862 CG1 ILE A 55 -12.298 -5.958 -0.426 1.00 0.00 C ATOM 863 CG2 ILE A 55 -12.331 -4.502 -2.469 1.00 0.00 C ATOM 864 CD1 ILE A 55 -10.905 -5.677 0.093 1.00 0.00 C ATOM 0 H ILE A 55 -15.264 -6.330 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 55 -13.763 -6.555 -3.502 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.554 -6.486 -2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.987 -5.221 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.621 -6.934 -0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.404 -4.037 -2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.362 -4.507 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.180 -3.936 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.909 -5.712 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.215 -6.428 -0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.586 -4.688 -0.238 1.00 0.00 H new ATOM 876 N HIS A 56 -13.254 -8.945 -2.883 1.00 0.00 N ATOM 877 CA HIS A 56 -13.186 -10.373 -2.592 1.00 0.00 C ATOM 878 C HIS A 56 -12.155 -10.657 -1.504 1.00 0.00 C ATOM 879 O HIS A 56 -11.278 -9.837 -1.239 1.00 0.00 O ATOM 880 CB HIS A 56 -12.839 -11.157 -3.858 1.00 0.00 C ATOM 881 CG HIS A 56 -13.983 -11.286 -4.816 1.00 0.00 C ATOM 882 ND1 HIS A 56 -13.958 -10.768 -6.093 1.00 0.00 N ATOM 883 CD2 HIS A 56 -15.191 -11.881 -4.677 1.00 0.00 C ATOM 884 CE1 HIS A 56 -15.101 -11.037 -6.698 1.00 0.00 C ATOM 885 NE2 HIS A 56 -15.867 -11.712 -5.860 1.00 0.00 N ATOM 0 H HIS A 56 -12.946 -8.691 -3.822 1.00 0.00 H new ATOM 0 HA HIS A 56 -14.164 -10.693 -2.233 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.007 -10.666 -4.363 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.498 -12.153 -3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -15.555 -12.393 -3.799 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -15.364 -10.753 -7.706 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -16.808 -12.052 -6.059 1.00 0.00 H new ATOM 893 N GLU A 57 -12.269 -11.825 -0.879 1.00 0.00 N ATOM 894 CA GLU A 57 -11.347 -12.215 0.182 1.00 0.00 C ATOM 895 C GLU A 57 -9.901 -12.139 -0.299 1.00 0.00 C ATOM 896 O GLU A 57 -8.967 -12.151 0.503 1.00 0.00 O ATOM 897 CB GLU A 57 -11.662 -13.633 0.664 1.00 0.00 C ATOM 898 CG GLU A 57 -11.177 -13.916 2.076 1.00 0.00 C ATOM 899 CD GLU A 57 -10.838 -15.378 2.294 1.00 0.00 C ATOM 900 OE1 GLU A 57 -10.209 -15.982 1.400 1.00 0.00 O ATOM 901 OE2 GLU A 57 -11.203 -15.919 3.359 1.00 0.00 O ATOM 0 H GLU A 57 -12.989 -12.516 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.472 -11.520 1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.739 -13.792 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.206 -14.350 -0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.296 -13.308 2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.946 -13.615 2.788 1.00 0.00 H new ATOM 908 N HIS A 58 -9.724 -12.061 -1.615 1.00 0.00 N ATOM 909 CA HIS A 58 -8.392 -11.982 -2.204 1.00 0.00 C ATOM 910 C HIS A 58 -8.099 -10.569 -2.697 1.00 0.00 C ATOM 911 O HIS A 58 -6.941 -10.161 -2.793 1.00 0.00 O ATOM 912 CB HIS A 58 -8.264 -12.975 -3.359 1.00 0.00 C ATOM 913 CG HIS A 58 -9.418 -12.938 -4.313 1.00 0.00 C ATOM 914 ND1 HIS A 58 -10.466 -13.833 -4.261 1.00 0.00 N ATOM 915 CD2 HIS A 58 -9.688 -12.105 -5.345 1.00 0.00 C ATOM 916 CE1 HIS A 58 -11.329 -13.553 -5.222 1.00 0.00 C ATOM 917 NE2 HIS A 58 -10.880 -12.508 -5.894 1.00 0.00 N ATOM 0 H HIS A 58 -10.486 -12.051 -2.293 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.664 -12.236 -1.433 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -7.345 -12.766 -3.906 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.172 -13.982 -2.953 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.079 -11.277 -5.675 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.245 -14.088 -5.424 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -11.343 -12.072 -6.691 1.00 0.00 H new ATOM 925 N CYS A 59 -9.155 -9.825 -3.009 1.00 0.00 N ATOM 926 CA CYS A 59 -9.011 -8.457 -3.493 1.00 0.00 C ATOM 927 C CYS A 59 -8.625 -7.515 -2.357 1.00 0.00 C ATOM 928 O CYS A 59 -8.535 -6.303 -2.547 1.00 0.00 O ATOM 929 CB CYS A 59 -10.313 -7.985 -4.143 1.00 0.00 C ATOM 930 SG CYS A 59 -10.729 -8.850 -5.691 1.00 0.00 S ATOM 0 H CYS A 59 -10.120 -10.147 -2.935 1.00 0.00 H new ATOM 0 HA CYS A 59 -8.215 -8.443 -4.238 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.130 -8.119 -3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.239 -6.917 -4.345 1.00 0.00 H new ATOM 935 N GLN A 60 -8.399 -8.083 -1.176 1.00 0.00 N ATOM 936 CA GLN A 60 -8.024 -7.293 -0.009 1.00 0.00 C ATOM 937 C GLN A 60 -6.508 -7.236 0.144 1.00 0.00 C ATOM 938 O GLN A 60 -5.957 -6.229 0.589 1.00 0.00 O ATOM 939 CB GLN A 60 -8.654 -7.881 1.255 1.00 0.00 C ATOM 940 CG GLN A 60 -7.889 -9.065 1.822 1.00 0.00 C ATOM 941 CD GLN A 60 -8.308 -9.407 3.238 1.00 0.00 C ATOM 942 OE1 GLN A 60 -8.270 -8.559 4.131 1.00 0.00 O ATOM 943 NE2 GLN A 60 -8.711 -10.654 3.452 1.00 0.00 N ATOM 0 H GLN A 60 -8.469 -9.086 -1.003 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.395 -6.278 -0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.717 -7.102 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.674 -8.192 1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.044 -9.933 1.182 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.822 -8.844 1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.727 -11.324 2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.005 -10.942 4.385 1.00 0.00 H new ATOM 952 N SER A 61 -5.839 -8.323 -0.226 1.00 0.00 N ATOM 953 CA SER A 61 -4.386 -8.397 -0.125 1.00 0.00 C ATOM 954 C SER A 61 -3.729 -7.248 -0.885 1.00 0.00 C ATOM 955 O SER A 61 -2.734 -6.680 -0.434 1.00 0.00 O ATOM 956 CB SER A 61 -3.884 -9.736 -0.670 1.00 0.00 C ATOM 957 OG SER A 61 -2.493 -9.888 -0.446 1.00 0.00 O ATOM 0 H SER A 61 -6.279 -9.164 -0.598 1.00 0.00 H new ATOM 0 HA SER A 61 -4.115 -8.316 0.928 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.424 -10.553 -0.191 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.093 -9.799 -1.738 1.00 0.00 H new ATOM 0 HG SER A 61 -2.197 -10.752 -0.802 1.00 0.00 H new ATOM 963 N TYR A 62 -4.293 -6.913 -2.040 1.00 0.00 N ATOM 964 CA TYR A 62 -3.761 -5.833 -2.864 1.00 0.00 C ATOM 965 C TYR A 62 -4.000 -4.478 -2.206 1.00 0.00 C ATOM 966 O TYR A 62 -3.259 -3.523 -2.439 1.00 0.00 O ATOM 967 CB TYR A 62 -4.404 -5.860 -4.252 1.00 0.00 C ATOM 968 CG TYR A 62 -4.658 -7.255 -4.775 1.00 0.00 C ATOM 969 CD1 TYR A 62 -3.607 -8.132 -5.012 1.00 0.00 C ATOM 970 CD2 TYR A 62 -5.950 -7.698 -5.031 1.00 0.00 C ATOM 971 CE1 TYR A 62 -3.834 -9.408 -5.491 1.00 0.00 C ATOM 972 CE2 TYR A 62 -6.187 -8.972 -5.508 1.00 0.00 C ATOM 973 CZ TYR A 62 -5.126 -9.823 -5.737 1.00 0.00 C ATOM 974 OH TYR A 62 -5.357 -11.094 -6.213 1.00 0.00 O ATOM 0 H TYR A 62 -5.117 -7.373 -2.427 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.686 -5.982 -2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.348 -5.317 -4.216 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.758 -5.330 -4.953 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.594 -7.811 -4.818 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.783 -7.034 -4.854 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.005 -10.076 -5.672 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.198 -9.300 -5.701 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.320 -11.229 -6.332 1.00 0.00 H new ATOM 984 N VAL A 63 -5.041 -4.402 -1.383 1.00 0.00 N ATOM 985 CA VAL A 63 -5.378 -3.164 -0.689 1.00 0.00 C ATOM 986 C VAL A 63 -5.207 -3.316 0.818 1.00 0.00 C ATOM 987 O VAL A 63 -5.941 -2.710 1.599 1.00 0.00 O ATOM 988 CB VAL A 63 -6.824 -2.728 -0.990 1.00 0.00 C ATOM 989 CG1 VAL A 63 -7.090 -2.757 -2.487 1.00 0.00 C ATOM 990 CG2 VAL A 63 -7.813 -3.614 -0.247 1.00 0.00 C ATOM 0 H VAL A 63 -5.666 -5.183 -1.180 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.693 -2.399 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.956 -1.704 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.117 -2.446 -2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.404 -2.077 -2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.941 -3.769 -2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.830 -3.292 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.682 -4.649 -0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.636 -3.537 0.826 1.00 0.00 H new ATOM 1000 N GLU A 64 -4.234 -4.128 1.220 1.00 0.00 N ATOM 1001 CA GLU A 64 -3.968 -4.358 2.635 1.00 0.00 C ATOM 1002 C GLU A 64 -3.216 -3.180 3.246 1.00 0.00 C ATOM 1003 O GLU A 64 -3.454 -2.807 4.394 1.00 0.00 O ATOM 1004 CB GLU A 64 -3.161 -5.645 2.821 1.00 0.00 C ATOM 1005 CG GLU A 64 -4.021 -6.873 3.065 1.00 0.00 C ATOM 1006 CD GLU A 64 -3.212 -8.156 3.089 1.00 0.00 C ATOM 1007 OE1 GLU A 64 -2.148 -8.198 2.437 1.00 0.00 O ATOM 1008 OE2 GLU A 64 -3.643 -9.117 3.761 1.00 0.00 O ATOM 0 H GLU A 64 -3.618 -4.637 0.586 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.925 -4.460 3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.549 -5.811 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.478 -5.517 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.547 -6.761 4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.780 -6.941 2.286 1.00 0.00 H new ATOM 1015 N MET A 65 -2.307 -2.598 2.470 1.00 0.00 N ATOM 1016 CA MET A 65 -1.521 -1.462 2.935 1.00 0.00 C ATOM 1017 C MET A 65 -1.937 -0.182 2.216 1.00 0.00 C ATOM 1018 O MET A 65 -1.149 0.754 2.092 1.00 0.00 O ATOM 1019 CB MET A 65 -0.029 -1.722 2.714 1.00 0.00 C ATOM 1020 CG MET A 65 0.332 -1.992 1.262 1.00 0.00 C ATOM 1021 SD MET A 65 0.195 -3.736 0.825 1.00 0.00 S ATOM 1022 CE MET A 65 1.748 -4.367 1.455 1.00 0.00 C ATOM 0 H MET A 65 -2.097 -2.895 1.517 1.00 0.00 H new ATOM 0 HA MET A 65 -1.707 -1.336 4.002 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.538 -0.860 3.067 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.277 -2.575 3.321 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.321 -1.407 0.614 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.351 -1.654 1.076 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.812 -5.437 1.260 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.575 -3.858 0.960 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.804 -4.190 2.529 1.00 0.00 H new ATOM 1032 N GLN A 66 -3.180 -0.151 1.745 1.00 0.00 N ATOM 1033 CA GLN A 66 -3.699 1.014 1.039 1.00 0.00 C ATOM 1034 C GLN A 66 -4.378 1.979 2.005 1.00 0.00 C ATOM 1035 O GLN A 66 -4.821 1.584 3.083 1.00 0.00 O ATOM 1036 CB GLN A 66 -4.687 0.580 -0.046 1.00 0.00 C ATOM 1037 CG GLN A 66 -4.721 1.513 -1.246 1.00 0.00 C ATOM 1038 CD GLN A 66 -3.666 1.173 -2.280 1.00 0.00 C ATOM 1039 OE1 GLN A 66 -2.787 1.982 -2.576 1.00 0.00 O ATOM 1040 NE2 GLN A 66 -3.747 -0.031 -2.835 1.00 0.00 N ATOM 0 H GLN A 66 -3.845 -0.918 1.840 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.859 1.528 0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.426 -0.423 -0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.686 0.521 0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.707 1.467 -1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.575 2.539 -0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.493 -0.670 -2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.064 -0.316 -3.536 1.00 0.00 H new ATOM 1049 N ARG A 67 -4.456 3.246 1.611 1.00 0.00 N ATOM 1050 CA ARG A 67 -5.079 4.268 2.443 1.00 0.00 C ATOM 1051 C ARG A 67 -6.586 4.319 2.204 1.00 0.00 C ATOM 1052 O ARG A 67 -7.046 4.275 1.062 1.00 0.00 O ATOM 1053 CB ARG A 67 -4.460 5.637 2.157 1.00 0.00 C ATOM 1054 CG ARG A 67 -4.667 6.112 0.728 1.00 0.00 C ATOM 1055 CD ARG A 67 -3.415 5.912 -0.112 1.00 0.00 C ATOM 1056 NE ARG A 67 -2.270 6.638 0.431 1.00 0.00 N ATOM 1057 CZ ARG A 67 -1.310 7.165 -0.321 1.00 0.00 C ATOM 1058 NH1 ARG A 67 -1.357 7.047 -1.641 1.00 0.00 N ATOM 1059 NH2 ARG A 67 -0.299 7.811 0.247 1.00 0.00 N ATOM 0 H ARG A 67 -4.095 3.589 0.721 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.902 4.008 3.487 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.889 6.370 2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.391 5.594 2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.498 5.568 0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.940 7.167 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.179 4.849 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.606 6.246 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.204 6.746 1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.132 6.551 -2.081 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.619 7.453 -2.216 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.259 7.903 1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.437 8.215 -0.332 1.00 0.00 H new ATOM 1073 N CYS A 68 -7.349 4.413 3.287 1.00 0.00 N ATOM 1074 CA CYS A 68 -8.803 4.469 3.197 1.00 0.00 C ATOM 1075 C CYS A 68 -9.297 5.911 3.273 1.00 0.00 C ATOM 1076 O CYS A 68 -9.418 6.480 4.358 1.00 0.00 O ATOM 1077 CB CYS A 68 -9.437 3.641 4.316 1.00 0.00 C ATOM 1078 SG CYS A 68 -11.254 3.550 4.235 1.00 0.00 S ATOM 0 H CYS A 68 -6.984 4.452 4.239 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.099 4.052 2.234 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.031 2.630 4.280 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.148 4.066 5.277 1.00 0.00 H new ATOM 1083 N SER A 69 -9.581 6.495 2.114 1.00 0.00 N ATOM 1084 CA SER A 69 -10.059 7.872 2.049 1.00 0.00 C ATOM 1085 C SER A 69 -11.386 8.021 2.785 1.00 0.00 C ATOM 1086 O SER A 69 -11.618 9.013 3.476 1.00 0.00 O ATOM 1087 CB SER A 69 -10.219 8.309 0.591 1.00 0.00 C ATOM 1088 OG SER A 69 -8.995 8.796 0.068 1.00 0.00 O ATOM 0 H SER A 69 -9.489 6.037 1.207 1.00 0.00 H new ATOM 0 HA SER A 69 -9.321 8.511 2.534 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.565 7.467 -0.009 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.982 9.084 0.522 1.00 0.00 H new ATOM 0 HG SER A 69 -9.123 9.067 -0.865 1.00 0.00 H new ATOM 1094 N GLY A 70 -12.256 7.027 2.633 1.00 0.00 N ATOM 1095 CA GLY A 70 -13.550 7.067 3.289 1.00 0.00 C ATOM 1096 C GLY A 70 -14.666 7.470 2.345 1.00 0.00 C ATOM 1097 O GLY A 70 -14.806 6.930 1.248 1.00 0.00 O ATOM 0 H GLY A 70 -12.088 6.195 2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.771 6.086 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.511 7.770 4.121 1.00 0.00 H new ATOM 1101 N PRO A 71 -15.487 8.441 2.774 1.00 0.00 N ATOM 1102 CA PRO A 71 -16.612 8.936 1.975 1.00 0.00 C ATOM 1103 C PRO A 71 -16.152 9.728 0.756 1.00 0.00 C ATOM 1104 O PRO A 71 -14.985 10.106 0.653 1.00 0.00 O ATOM 1105 CB PRO A 71 -17.366 9.844 2.950 1.00 0.00 C ATOM 1106 CG PRO A 71 -16.337 10.281 3.934 1.00 0.00 C ATOM 1107 CD PRO A 71 -15.380 9.129 4.071 1.00 0.00 C ATOM 0 HA PRO A 71 -17.217 8.123 1.574 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.809 10.697 2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -18.180 9.310 3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.822 11.177 3.588 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.793 10.526 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.363 9.472 4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.655 8.474 4.897 1.00 0.00 H new ATOM 1115 N SER A 72 -17.077 9.977 -0.166 1.00 0.00 N ATOM 1116 CA SER A 72 -16.766 10.722 -1.380 1.00 0.00 C ATOM 1117 C SER A 72 -17.479 12.070 -1.388 1.00 0.00 C ATOM 1118 O SER A 72 -18.505 12.246 -0.731 1.00 0.00 O ATOM 1119 CB SER A 72 -17.164 9.913 -2.616 1.00 0.00 C ATOM 1120 OG SER A 72 -18.540 9.576 -2.583 1.00 0.00 O ATOM 0 H SER A 72 -18.048 9.673 -0.095 1.00 0.00 H new ATOM 0 HA SER A 72 -15.691 10.900 -1.402 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.949 10.489 -3.516 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.565 9.004 -2.668 1.00 0.00 H new ATOM 0 HG SER A 72 -18.770 9.061 -3.384 1.00 0.00 H new ATOM 1126 N SER A 73 -16.929 13.019 -2.139 1.00 0.00 N ATOM 1127 CA SER A 73 -17.510 14.354 -2.231 1.00 0.00 C ATOM 1128 C SER A 73 -18.501 14.436 -3.388 1.00 0.00 C ATOM 1129 O SER A 73 -18.110 14.469 -4.554 1.00 0.00 O ATOM 1130 CB SER A 73 -16.409 15.400 -2.412 1.00 0.00 C ATOM 1131 OG SER A 73 -16.958 16.700 -2.545 1.00 0.00 O ATOM 0 H SER A 73 -16.082 12.888 -2.692 1.00 0.00 H new ATOM 0 HA SER A 73 -18.044 14.556 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.733 15.373 -1.557 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.816 15.160 -3.295 1.00 0.00 H new ATOM 0 HG SER A 73 -16.234 17.351 -2.658 1.00 0.00 H new ATOM 1137 N GLY A 74 -19.788 14.468 -3.055 1.00 0.00 N ATOM 1138 CA GLY A 74 -20.816 14.546 -4.076 1.00 0.00 C ATOM 1139 C GLY A 74 -21.709 13.321 -4.094 1.00 0.00 C ATOM 1140 O GLY A 74 -22.930 13.470 -4.101 1.00 0.00 O ATOM 0 H GLY A 74 -20.137 14.441 -2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -21.425 15.434 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -20.346 14.664 -5.052 1.00 0.00 H new TER 1144 GLY A 74 HETATM 1145 ZN ZN A 201 -11.738 1.571 3.219 1.00 0.00 ZN HETATM 1146 ZN ZN A 401 -12.820 -8.970 -6.408 1.00 0.00 ZN