USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 839 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 60 GLN : amide:sc= 0 K(o=-0.44,f=0.22) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.48) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.821 K(o=-0.82,f=-1.4) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -84:sc= -0.348 USER MOD Single : A 21 SER OG : rot -71:sc= 0.997 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.881 K(o=-0.88,f=-0.35) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.0327 K(o=0.033,f=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0861) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= 0.538 (180deg=0.444) USER MOD Single : A 42 HIS : no HD1:sc= -0.498 X(o=-0.5,f=-0.94) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 92:sc= 1.21 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 111:sc= 1.15 USER MOD Single : A 74 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.5) USER MOD Single : A 77 LYS NZ :NH3+ -149:sc= 0.232 (180deg=0.0225) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -165:sc= -0.643 (180deg=-1.03) USER MOD Single : A 91 THR OG1 : rot -72:sc= -0.297 USER MOD Single : A 93 GLN : amide:sc= -0.0476 X(o=-0.048,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.69 K(o=-0.69,f=-0.074) USER MOD Single : A 95 SER OG : rot -31:sc= 0.581 USER MOD Single : A 96 SER OG : rot -49:sc= 1.03 USER MOD Single : A 101 LYS NZ :NH3+ -138:sc= -0.278 (180deg=-1.69) USER MOD Single : A 104 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.2!) USER MOD Single : A 106 ASN : amide:sc= -2.29 K(o=-2.3,f=-11!) USER MOD Single : A 108 SER OG : rot -48:sc= 0.0703 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.478 -8.757 -30.752 1.00 0.00 N ATOM 2 CA GLU A 1 -15.988 -8.135 -29.498 1.00 0.00 C ATOM 3 C GLU A 1 -16.161 -6.636 -29.719 1.00 0.00 C ATOM 4 O GLU A 1 -15.217 -5.860 -29.568 1.00 0.00 O ATOM 5 CB GLU A 1 -15.024 -8.360 -28.331 1.00 0.00 C ATOM 6 CG GLU A 1 -15.231 -9.764 -27.760 1.00 0.00 C ATOM 7 CD GLU A 1 -13.901 -10.309 -27.254 1.00 0.00 C ATOM 8 OE1 GLU A 1 -13.049 -10.598 -28.078 1.00 0.00 O ATOM 9 OE2 GLU A 1 -13.753 -10.429 -26.049 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.358 -9.780 -30.608 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.158 -8.593 -31.522 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.562 -8.333 -31.002 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.942 -8.600 -29.249 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -13.994 -8.241 -28.668 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -15.194 -7.612 -27.556 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -15.957 -9.734 -26.947 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -15.638 -10.423 -28.527 1.00 0.00 H new ATOM 18 N THR A 2 -17.379 -6.240 -30.077 1.00 0.00 N ATOM 19 CA THR A 2 -17.669 -4.828 -30.317 1.00 0.00 C ATOM 20 C THR A 2 -17.778 -4.065 -28.993 1.00 0.00 C ATOM 21 O THR A 2 -17.138 -3.029 -28.817 1.00 0.00 O ATOM 22 CB THR A 2 -18.979 -4.667 -31.102 1.00 0.00 C ATOM 23 OG1 THR A 2 -19.281 -5.880 -31.780 1.00 0.00 O ATOM 24 CG2 THR A 2 -18.833 -3.535 -32.123 1.00 0.00 C ATOM 0 H THR A 2 -18.173 -6.867 -30.206 1.00 0.00 H new ATOM 0 HA THR A 2 -16.847 -4.416 -30.903 1.00 0.00 H new ATOM 0 HB THR A 2 -19.786 -4.427 -30.409 1.00 0.00 H new ATOM 0 HG1 THR A 2 -20.118 -5.776 -32.279 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.764 -3.423 -32.678 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.606 -2.604 -31.604 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.024 -3.771 -32.815 1.00 0.00 H new ATOM 32 N PRO A 3 -18.589 -4.560 -28.045 1.00 0.00 N ATOM 33 CA PRO A 3 -18.761 -3.899 -26.744 1.00 0.00 C ATOM 34 C PRO A 3 -17.579 -4.144 -25.810 1.00 0.00 C ATOM 35 O PRO A 3 -17.075 -5.262 -25.701 1.00 0.00 O ATOM 36 CB PRO A 3 -20.029 -4.528 -26.176 1.00 0.00 C ATOM 37 CG PRO A 3 -20.137 -5.866 -26.828 1.00 0.00 C ATOM 38 CD PRO A 3 -19.404 -5.788 -28.139 1.00 0.00 C ATOM 0 HA PRO A 3 -18.825 -2.816 -26.849 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -19.968 -4.624 -25.092 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -20.903 -3.914 -26.393 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -19.705 -6.639 -26.192 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -21.182 -6.132 -26.988 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -18.778 -6.667 -28.295 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -20.098 -5.738 -28.978 1.00 0.00 H new ATOM 46 N ARG A 4 -17.145 -3.083 -25.136 1.00 0.00 N ATOM 47 CA ARG A 4 -16.021 -3.189 -24.209 1.00 0.00 C ATOM 48 C ARG A 4 -16.148 -2.150 -23.098 1.00 0.00 C ATOM 49 O ARG A 4 -15.152 -1.616 -22.610 1.00 0.00 O ATOM 50 CB ARG A 4 -14.698 -2.973 -24.948 1.00 0.00 C ATOM 51 CG ARG A 4 -13.544 -3.507 -24.095 1.00 0.00 C ATOM 52 CD ARG A 4 -13.409 -5.017 -24.302 1.00 0.00 C ATOM 53 NE ARG A 4 -14.129 -5.745 -23.261 1.00 0.00 N ATOM 54 CZ ARG A 4 -13.955 -7.054 -23.094 1.00 0.00 C ATOM 55 NH1 ARG A 4 -12.879 -7.498 -22.504 1.00 0.00 N ATOM 56 NH2 ARG A 4 -14.860 -7.892 -23.519 1.00 0.00 N ATOM 0 H ARG A 4 -17.549 -2.149 -25.212 1.00 0.00 H new ATOM 0 HA ARG A 4 -16.034 -4.188 -23.774 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -14.719 -3.484 -25.911 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -14.552 -1.912 -25.153 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.615 -3.008 -24.369 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -13.725 -3.289 -23.043 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -13.800 -5.292 -25.282 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.356 -5.299 -24.288 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.775 -5.243 -22.652 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.172 -6.842 -22.171 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.745 -8.501 -22.376 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.701 -7.544 -23.979 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.726 -8.895 -23.391 1.00 0.00 H new ATOM 70 N GLU A 5 -17.388 -1.872 -22.705 1.00 0.00 N ATOM 71 CA GLU A 5 -17.639 -0.895 -21.650 1.00 0.00 C ATOM 72 C GLU A 5 -19.041 -1.079 -21.076 1.00 0.00 C ATOM 73 O GLU A 5 -19.925 -1.637 -21.726 1.00 0.00 O ATOM 74 CB GLU A 5 -17.508 0.529 -22.194 1.00 0.00 C ATOM 75 CG GLU A 5 -18.418 0.697 -23.412 1.00 0.00 C ATOM 76 CD GLU A 5 -18.096 2.013 -24.111 1.00 0.00 C ATOM 77 OE1 GLU A 5 -17.126 2.047 -24.849 1.00 0.00 O ATOM 78 OE2 GLU A 5 -18.825 2.968 -23.898 1.00 0.00 O ATOM 0 H GLU A 5 -18.226 -2.304 -23.096 1.00 0.00 H new ATOM 0 HA GLU A 5 -16.900 -1.052 -20.865 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.778 1.250 -21.423 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.473 0.730 -22.470 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.279 -0.136 -24.101 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.463 0.684 -23.103 1.00 0.00 H new ATOM 85 N LYS A 6 -19.232 -0.603 -19.850 1.00 0.00 N ATOM 86 CA LYS A 6 -20.530 -0.718 -19.191 1.00 0.00 C ATOM 87 C LYS A 6 -20.525 0.043 -17.870 1.00 0.00 C ATOM 88 O LYS A 6 -21.482 0.741 -17.534 1.00 0.00 O ATOM 89 CB LYS A 6 -20.866 -2.185 -18.919 1.00 0.00 C ATOM 90 CG LYS A 6 -19.720 -2.837 -18.144 1.00 0.00 C ATOM 91 CD LYS A 6 -19.881 -4.358 -18.177 1.00 0.00 C ATOM 92 CE LYS A 6 -19.159 -4.921 -19.402 1.00 0.00 C ATOM 93 NZ LYS A 6 -19.371 -6.391 -19.530 1.00 0.00 N ATOM 0 H LYS A 6 -18.513 -0.138 -19.296 1.00 0.00 H new ATOM 0 HA LYS A 6 -21.282 -0.291 -19.854 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -21.792 -2.257 -18.348 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -21.029 -2.712 -19.859 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.763 -2.553 -18.582 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.717 -2.483 -17.113 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.472 -4.797 -17.267 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -20.938 -4.622 -18.212 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.519 -4.420 -20.301 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.092 -4.711 -19.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.869 -6.742 -20.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.005 -6.870 -18.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.388 -6.588 -19.627 1.00 0.00 H new ATOM 107 N LEU A 7 -19.432 -0.097 -17.125 1.00 0.00 N ATOM 108 CA LEU A 7 -19.307 0.583 -15.838 1.00 0.00 C ATOM 109 C LEU A 7 -18.700 1.970 -16.030 1.00 0.00 C ATOM 110 O LEU A 7 -17.824 2.170 -16.871 1.00 0.00 O ATOM 111 CB LEU A 7 -18.418 -0.224 -14.890 1.00 0.00 C ATOM 112 CG LEU A 7 -19.094 -1.417 -14.212 1.00 0.00 C ATOM 113 CD1 LEU A 7 -18.028 -2.385 -13.698 1.00 0.00 C ATOM 114 CD2 LEU A 7 -19.940 -0.922 -13.037 1.00 0.00 C ATOM 0 H LEU A 7 -18.628 -0.668 -17.386 1.00 0.00 H new ATOM 0 HA LEU A 7 -20.303 0.677 -15.406 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -17.555 -0.586 -15.449 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.039 0.445 -14.117 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.733 -1.929 -14.932 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.511 -3.235 -13.215 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -17.424 -2.738 -14.534 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -17.389 -1.874 -12.978 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -20.422 -1.771 -12.553 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.300 -0.410 -12.318 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -20.701 -0.232 -13.402 1.00 0.00 H new ATOM 126 N LYS A 8 -19.175 2.925 -15.236 1.00 0.00 N ATOM 127 CA LYS A 8 -18.673 4.294 -15.324 1.00 0.00 C ATOM 128 C LYS A 8 -18.509 4.892 -13.931 1.00 0.00 C ATOM 129 O LYS A 8 -18.997 4.344 -12.942 1.00 0.00 O ATOM 130 CB LYS A 8 -19.632 5.170 -16.136 1.00 0.00 C ATOM 131 CG LYS A 8 -21.033 5.107 -15.524 1.00 0.00 C ATOM 132 CD LYS A 8 -22.081 5.225 -16.632 1.00 0.00 C ATOM 133 CE LYS A 8 -22.023 6.627 -17.242 1.00 0.00 C ATOM 134 NZ LYS A 8 -22.516 6.627 -18.649 1.00 0.00 N ATOM 0 H LYS A 8 -19.899 2.780 -14.532 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.704 4.264 -15.823 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.276 6.200 -16.148 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -19.662 4.830 -17.171 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.163 4.169 -14.984 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.162 5.912 -14.800 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.899 4.474 -17.401 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -23.075 5.033 -16.229 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.625 7.311 -16.644 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.998 6.996 -17.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.464 7.591 -19.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.926 5.992 -19.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -23.502 6.298 -18.671 1.00 0.00 H new ATOM 148 N GLN A 9 -17.813 6.025 -13.864 1.00 0.00 N ATOM 149 CA GLN A 9 -17.584 6.697 -12.586 1.00 0.00 C ATOM 150 C GLN A 9 -16.808 5.789 -11.637 1.00 0.00 C ATOM 151 O GLN A 9 -17.390 5.082 -10.814 1.00 0.00 O ATOM 152 CB GLN A 9 -18.914 7.082 -11.932 1.00 0.00 C ATOM 153 CG GLN A 9 -18.689 8.245 -10.965 1.00 0.00 C ATOM 154 CD GLN A 9 -19.989 9.022 -10.791 1.00 0.00 C ATOM 155 OE1 GLN A 9 -20.994 8.470 -10.342 1.00 0.00 O ATOM 156 NE2 GLN A 9 -20.031 10.283 -11.125 1.00 0.00 N ATOM 0 H GLN A 9 -17.401 6.494 -14.671 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.004 7.599 -12.782 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.638 7.365 -12.696 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.330 6.227 -11.399 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -18.346 7.869 -10.001 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.908 8.903 -11.347 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.198 10.740 -11.497 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -20.896 10.811 -11.014 1.00 0.00 H new ATOM 165 N HIS A 10 -15.485 5.817 -11.762 1.00 0.00 N ATOM 166 CA HIS A 10 -14.631 4.992 -10.911 1.00 0.00 C ATOM 167 C HIS A 10 -13.984 5.848 -9.824 1.00 0.00 C ATOM 168 O HIS A 10 -14.374 6.994 -9.607 1.00 0.00 O ATOM 169 CB HIS A 10 -13.537 4.316 -11.752 1.00 0.00 C ATOM 170 CG HIS A 10 -13.335 2.896 -11.289 1.00 0.00 C ATOM 171 ND1 HIS A 10 -12.118 2.246 -11.412 1.00 0.00 N ATOM 172 CD2 HIS A 10 -14.186 1.991 -10.702 1.00 0.00 C ATOM 173 CE1 HIS A 10 -12.267 1.005 -10.911 1.00 0.00 C ATOM 174 NE2 HIS A 10 -13.509 0.798 -10.464 1.00 0.00 N ATOM 0 H HIS A 10 -14.984 6.395 -12.437 1.00 0.00 H new ATOM 0 HA HIS A 10 -15.248 4.225 -10.443 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -13.817 4.327 -12.805 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -12.604 4.872 -11.664 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -15.222 2.177 -10.462 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.479 0.267 -10.875 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -13.881 -0.052 -10.040 1.00 0.00 H new ATOM 182 N SER A 11 -12.991 5.273 -9.141 1.00 0.00 N ATOM 183 CA SER A 11 -12.284 5.979 -8.066 1.00 0.00 C ATOM 184 C SER A 11 -13.197 6.173 -6.859 1.00 0.00 C ATOM 185 O SER A 11 -12.972 5.586 -5.803 1.00 0.00 O ATOM 186 CB SER A 11 -11.771 7.345 -8.538 1.00 0.00 C ATOM 187 OG SER A 11 -10.904 7.886 -7.549 1.00 0.00 O ATOM 0 H SER A 11 -12.658 4.324 -9.311 1.00 0.00 H new ATOM 0 HA SER A 11 -11.430 5.364 -7.781 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.242 7.241 -9.485 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.608 8.020 -8.714 1.00 0.00 H new ATOM 0 HG SER A 11 -10.572 8.759 -7.847 1.00 0.00 H new ATOM 193 N ASP A 12 -14.225 7.009 -7.027 1.00 0.00 N ATOM 194 CA ASP A 12 -15.177 7.280 -5.945 1.00 0.00 C ATOM 195 C ASP A 12 -15.940 6.011 -5.554 1.00 0.00 C ATOM 196 O ASP A 12 -17.107 5.836 -5.906 1.00 0.00 O ATOM 197 CB ASP A 12 -16.178 8.364 -6.362 1.00 0.00 C ATOM 198 CG ASP A 12 -16.786 8.014 -7.718 1.00 0.00 C ATOM 199 OD1 ASP A 12 -16.215 8.410 -8.721 1.00 0.00 O ATOM 200 OD2 ASP A 12 -17.815 7.361 -7.733 1.00 0.00 O ATOM 0 H ASP A 12 -14.419 7.507 -7.896 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.605 7.629 -5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.965 8.453 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.679 9.331 -6.416 1.00 0.00 H new ATOM 205 N ALA A 13 -15.266 5.125 -4.821 1.00 0.00 N ATOM 206 CA ALA A 13 -15.869 3.864 -4.376 1.00 0.00 C ATOM 207 C ALA A 13 -14.785 2.945 -3.827 1.00 0.00 C ATOM 208 O ALA A 13 -14.997 2.209 -2.862 1.00 0.00 O ATOM 209 CB ALA A 13 -16.580 3.144 -5.530 1.00 0.00 C ATOM 0 H ALA A 13 -14.300 5.256 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.601 4.100 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.015 2.214 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.369 3.783 -5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.861 2.923 -6.319 1.00 0.00 H new ATOM 215 N CYS A 14 -13.617 3.000 -4.460 1.00 0.00 N ATOM 216 CA CYS A 14 -12.486 2.177 -4.045 1.00 0.00 C ATOM 217 C CYS A 14 -11.838 2.744 -2.780 1.00 0.00 C ATOM 218 O CYS A 14 -11.215 2.014 -2.010 1.00 0.00 O ATOM 219 CB CYS A 14 -11.437 2.122 -5.163 1.00 0.00 C ATOM 220 SG CYS A 14 -10.671 0.482 -5.212 1.00 0.00 S ATOM 0 H CYS A 14 -13.429 3.604 -5.260 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.857 1.173 -3.837 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.904 2.343 -6.123 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.675 2.884 -4.996 1.00 0.00 H new ATOM 225 N LYS A 15 -11.988 4.053 -2.577 1.00 0.00 N ATOM 226 CA LYS A 15 -11.409 4.709 -1.406 1.00 0.00 C ATOM 227 C LYS A 15 -12.165 4.359 -0.117 1.00 0.00 C ATOM 228 O LYS A 15 -11.748 4.747 0.975 1.00 0.00 O ATOM 229 CB LYS A 15 -11.427 6.227 -1.590 1.00 0.00 C ATOM 230 CG LYS A 15 -10.370 6.865 -0.686 1.00 0.00 C ATOM 231 CD LYS A 15 -10.560 8.383 -0.667 1.00 0.00 C ATOM 232 CE LYS A 15 -11.874 8.725 0.037 1.00 0.00 C ATOM 233 NZ LYS A 15 -11.964 10.180 0.345 1.00 0.00 N ATOM 0 H LYS A 15 -12.501 4.675 -3.202 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.384 4.350 -1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.230 6.480 -2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.414 6.621 -1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.452 6.465 0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.371 6.618 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.725 8.858 -0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.569 8.772 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.713 8.433 -0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.954 8.151 0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.867 10.379 0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.176 10.453 0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.912 10.726 -0.539 1.00 0.00 H new ATOM 247 N ALA A 16 -13.281 3.631 -0.240 1.00 0.00 N ATOM 248 CA ALA A 16 -14.067 3.256 0.936 1.00 0.00 C ATOM 249 C ALA A 16 -13.211 2.485 1.942 1.00 0.00 C ATOM 250 O ALA A 16 -13.115 2.857 3.111 1.00 0.00 O ATOM 251 CB ALA A 16 -15.256 2.385 0.528 1.00 0.00 C ATOM 0 H ALA A 16 -13.654 3.295 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.426 4.175 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.830 2.115 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.893 2.939 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.894 1.480 0.041 1.00 0.00 H new ATOM 257 N GLU A 17 -12.589 1.406 1.472 1.00 0.00 N ATOM 258 CA GLU A 17 -11.743 0.588 2.337 1.00 0.00 C ATOM 259 C GLU A 17 -10.341 1.183 2.427 1.00 0.00 C ATOM 260 O GLU A 17 -9.739 1.235 3.500 1.00 0.00 O ATOM 261 CB GLU A 17 -11.641 -0.839 1.794 1.00 0.00 C ATOM 262 CG GLU A 17 -10.913 -1.725 2.810 1.00 0.00 C ATOM 263 CD GLU A 17 -11.292 -3.183 2.577 1.00 0.00 C ATOM 264 OE1 GLU A 17 -12.461 -3.439 2.341 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.409 -4.021 2.637 1.00 0.00 O ATOM 0 H GLU A 17 -12.654 1.080 0.508 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.196 0.568 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.637 -1.236 1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.105 -0.840 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.835 -1.598 2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.178 -1.427 3.824 1.00 0.00 H new ATOM 272 N SER A 18 -9.830 1.629 1.284 1.00 0.00 N ATOM 273 CA SER A 18 -8.499 2.217 1.234 1.00 0.00 C ATOM 274 C SER A 18 -8.532 3.645 1.768 1.00 0.00 C ATOM 275 O SER A 18 -8.441 4.616 1.015 1.00 0.00 O ATOM 276 CB SER A 18 -7.966 2.225 -0.199 1.00 0.00 C ATOM 277 OG SER A 18 -8.999 2.638 -1.082 1.00 0.00 O ATOM 0 H SER A 18 -10.314 1.594 0.387 1.00 0.00 H new ATOM 0 HA SER A 18 -7.839 1.612 1.856 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.113 2.899 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.613 1.231 -0.473 1.00 0.00 H new ATOM 0 HG SER A 18 -9.563 1.869 -1.308 1.00 0.00 H new ATOM 283 N GLY A 19 -8.661 3.756 3.084 1.00 0.00 N ATOM 284 CA GLY A 19 -8.704 5.061 3.733 1.00 0.00 C ATOM 285 C GLY A 19 -7.320 5.471 4.234 1.00 0.00 C ATOM 286 O GLY A 19 -7.189 6.137 5.262 1.00 0.00 O ATOM 0 H GLY A 19 -8.737 2.963 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.076 5.808 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.403 5.032 4.569 1.00 0.00 H new ATOM 290 N VAL A 20 -6.287 5.068 3.496 1.00 0.00 N ATOM 291 CA VAL A 20 -4.914 5.398 3.868 1.00 0.00 C ATOM 292 C VAL A 20 -4.719 6.919 3.916 1.00 0.00 C ATOM 293 O VAL A 20 -3.882 7.425 4.660 1.00 0.00 O ATOM 294 CB VAL A 20 -3.934 4.771 2.862 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.179 5.341 1.458 1.00 0.00 C ATOM 296 CG2 VAL A 20 -2.492 5.060 3.293 1.00 0.00 C ATOM 0 H VAL A 20 -6.374 4.516 2.643 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.715 4.993 4.860 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.095 3.693 2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.479 4.890 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.200 5.118 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.032 6.421 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.802 4.614 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.332 6.138 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.315 4.635 4.281 1.00 0.00 H new ATOM 306 N SER A 21 -5.508 7.634 3.112 1.00 0.00 N ATOM 307 CA SER A 21 -5.430 9.094 3.064 1.00 0.00 C ATOM 308 C SER A 21 -4.049 9.550 2.598 1.00 0.00 C ATOM 309 O SER A 21 -3.550 10.594 3.018 1.00 0.00 O ATOM 310 CB SER A 21 -5.742 9.702 4.439 1.00 0.00 C ATOM 311 OG SER A 21 -4.567 9.722 5.242 1.00 0.00 O ATOM 0 H SER A 21 -6.205 7.228 2.488 1.00 0.00 H new ATOM 0 HA SER A 21 -6.174 9.443 2.348 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.127 10.715 4.319 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.521 9.121 4.934 1.00 0.00 H new ATOM 0 HG SER A 21 -4.335 8.807 5.506 1.00 0.00 H new ATOM 317 N GLU A 22 -3.442 8.757 1.718 1.00 0.00 N ATOM 318 CA GLU A 22 -2.117 9.083 1.185 1.00 0.00 C ATOM 319 C GLU A 22 -1.104 9.295 2.311 1.00 0.00 C ATOM 320 O GLU A 22 -0.123 10.021 2.150 1.00 0.00 O ATOM 321 CB GLU A 22 -2.184 10.352 0.334 1.00 0.00 C ATOM 322 CG GLU A 22 -2.736 10.009 -1.052 1.00 0.00 C ATOM 323 CD GLU A 22 -3.207 11.285 -1.741 1.00 0.00 C ATOM 324 OE1 GLU A 22 -2.374 11.966 -2.315 1.00 0.00 O ATOM 325 OE2 GLU A 22 -4.394 11.561 -1.685 1.00 0.00 O ATOM 0 H GLU A 22 -3.841 7.890 1.360 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.794 8.242 0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.820 11.093 0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.192 10.794 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.967 9.522 -1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.563 9.305 -0.962 1.00 0.00 H new ATOM 332 N GLU A 23 -1.348 8.652 3.451 1.00 0.00 N ATOM 333 CA GLU A 23 -0.445 8.780 4.591 1.00 0.00 C ATOM 334 C GLU A 23 0.801 7.929 4.379 1.00 0.00 C ATOM 335 O GLU A 23 1.925 8.432 4.395 1.00 0.00 O ATOM 336 CB GLU A 23 -1.141 8.333 5.878 1.00 0.00 C ATOM 337 CG GLU A 23 -0.609 9.150 7.057 1.00 0.00 C ATOM 338 CD GLU A 23 -1.237 10.538 7.039 1.00 0.00 C ATOM 339 OE1 GLU A 23 -0.826 11.343 6.219 1.00 0.00 O ATOM 340 OE2 GLU A 23 -2.120 10.778 7.846 1.00 0.00 O ATOM 0 H GLU A 23 -2.152 8.045 3.609 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.159 9.828 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.219 8.467 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.965 7.271 6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.841 8.647 7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.476 9.230 6.997 1.00 0.00 H new ATOM 347 N SER A 24 0.589 6.633 4.176 1.00 0.00 N ATOM 348 CA SER A 24 1.702 5.712 3.957 1.00 0.00 C ATOM 349 C SER A 24 2.333 5.953 2.589 1.00 0.00 C ATOM 350 O SER A 24 3.532 5.754 2.400 1.00 0.00 O ATOM 351 CB SER A 24 1.220 4.263 4.037 1.00 0.00 C ATOM 352 OG SER A 24 0.408 4.101 5.192 1.00 0.00 O ATOM 0 H SER A 24 -0.334 6.198 4.158 1.00 0.00 H new ATOM 0 HA SER A 24 2.445 5.890 4.735 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.654 4.006 3.142 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.073 3.586 4.080 1.00 0.00 H new ATOM 0 HG SER A 24 0.096 3.173 5.245 1.00 0.00 H new ATOM 358 N LEU A 25 1.509 6.384 1.635 1.00 0.00 N ATOM 359 CA LEU A 25 1.995 6.650 0.282 1.00 0.00 C ATOM 360 C LEU A 25 3.068 7.735 0.301 1.00 0.00 C ATOM 361 O LEU A 25 4.065 7.654 -0.416 1.00 0.00 O ATOM 362 CB LEU A 25 0.846 7.102 -0.620 1.00 0.00 C ATOM 363 CG LEU A 25 0.013 5.975 -1.237 1.00 0.00 C ATOM 364 CD1 LEU A 25 -1.042 6.572 -2.170 1.00 0.00 C ATOM 365 CD2 LEU A 25 0.928 5.044 -2.034 1.00 0.00 C ATOM 0 H LEU A 25 0.513 6.555 1.771 1.00 0.00 H new ATOM 0 HA LEU A 25 2.422 5.726 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.183 7.745 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.257 7.710 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.480 5.412 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.635 5.770 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.694 7.237 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.550 7.135 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.336 4.241 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.420 5.608 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.681 4.618 -1.371 1.00 0.00 H new ATOM 377 N ASN A 26 2.851 8.751 1.133 1.00 0.00 N ATOM 378 CA ASN A 26 3.808 9.851 1.240 1.00 0.00 C ATOM 379 C ASN A 26 5.156 9.335 1.731 1.00 0.00 C ATOM 380 O ASN A 26 6.210 9.828 1.329 1.00 0.00 O ATOM 381 CB ASN A 26 3.296 10.912 2.216 1.00 0.00 C ATOM 382 CG ASN A 26 2.456 11.936 1.458 1.00 0.00 C ATOM 383 OD1 ASN A 26 2.706 13.138 1.541 1.00 0.00 O ATOM 384 ND2 ASN A 26 1.464 11.526 0.716 1.00 0.00 N ATOM 0 H ASN A 26 2.033 8.836 1.736 1.00 0.00 H new ATOM 0 HA ASN A 26 3.925 10.294 0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.699 10.444 2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.135 11.405 2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.896 12.202 0.205 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.257 10.530 0.647 1.00 0.00 H new ATOM 391 N LYS A 27 5.110 8.333 2.605 1.00 0.00 N ATOM 392 CA LYS A 27 6.333 7.750 3.147 1.00 0.00 C ATOM 393 C LYS A 27 7.096 7.000 2.057 1.00 0.00 C ATOM 394 O LYS A 27 8.325 6.934 2.072 1.00 0.00 O ATOM 395 CB LYS A 27 6.006 6.780 4.284 1.00 0.00 C ATOM 396 CG LYS A 27 5.164 7.499 5.341 1.00 0.00 C ATOM 397 CD LYS A 27 5.186 6.698 6.644 1.00 0.00 C ATOM 398 CE LYS A 27 3.982 7.090 7.504 1.00 0.00 C ATOM 399 NZ LYS A 27 4.177 6.694 8.927 1.00 0.00 N ATOM 0 H LYS A 27 4.248 7.911 2.950 1.00 0.00 H new ATOM 0 HA LYS A 27 6.951 8.562 3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.464 5.918 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.926 6.403 4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.555 8.502 5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.139 7.612 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.159 5.630 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.112 6.890 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.825 8.167 7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.083 6.614 7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.344 6.974 9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.303 5.663 8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.021 7.168 9.307 1.00 0.00 H new ATOM 413 N VAL A 28 6.350 6.435 1.110 1.00 0.00 N ATOM 414 CA VAL A 28 6.963 5.690 0.012 1.00 0.00 C ATOM 415 C VAL A 28 7.885 6.592 -0.807 1.00 0.00 C ATOM 416 O VAL A 28 8.855 6.128 -1.407 1.00 0.00 O ATOM 417 CB VAL A 28 5.886 5.109 -0.909 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.536 4.188 -1.945 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.884 4.305 -0.077 1.00 0.00 C ATOM 0 H VAL A 28 5.331 6.478 1.080 1.00 0.00 H new ATOM 0 HA VAL A 28 7.547 4.879 0.447 1.00 0.00 H new ATOM 0 HB VAL A 28 5.371 5.923 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.767 3.776 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.251 4.757 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.053 3.375 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.117 3.891 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.403 3.493 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.418 4.957 0.661 1.00 0.00 H new ATOM 429 N ARG A 29 7.573 7.890 -0.829 1.00 0.00 N ATOM 430 CA ARG A 29 8.383 8.851 -1.581 1.00 0.00 C ATOM 431 C ARG A 29 9.847 8.792 -1.144 1.00 0.00 C ATOM 432 O ARG A 29 10.756 9.045 -1.934 1.00 0.00 O ATOM 433 CB ARG A 29 7.859 10.273 -1.370 1.00 0.00 C ATOM 434 CG ARG A 29 6.612 10.490 -2.230 1.00 0.00 C ATOM 435 CD ARG A 29 7.032 10.797 -3.669 1.00 0.00 C ATOM 436 NE ARG A 29 7.654 12.116 -3.755 1.00 0.00 N ATOM 437 CZ ARG A 29 7.071 13.106 -4.424 1.00 0.00 C ATOM 438 NH1 ARG A 29 7.034 13.080 -5.729 1.00 0.00 N ATOM 439 NH2 ARG A 29 6.534 14.104 -3.776 1.00 0.00 N ATOM 0 H ARG A 29 6.775 8.296 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 29 8.313 8.587 -2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.621 10.432 -0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.628 10.999 -1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.981 9.601 -2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.019 11.313 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.730 10.037 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.161 10.757 -4.324 1.00 0.00 H new ATOM 0 HE ARG A 29 8.549 12.280 -3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.452 12.300 -6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.587 13.840 -6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.562 14.124 -2.757 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.087 14.864 -4.289 1.00 0.00 H new ATOM 453 N ASN A 30 10.061 8.448 0.123 1.00 0.00 N ATOM 454 CA ASN A 30 11.416 8.352 0.657 1.00 0.00 C ATOM 455 C ASN A 30 11.794 6.890 0.875 1.00 0.00 C ATOM 456 O ASN A 30 10.955 5.995 0.773 1.00 0.00 O ATOM 457 CB ASN A 30 11.523 9.099 1.988 1.00 0.00 C ATOM 458 CG ASN A 30 12.937 9.644 2.153 1.00 0.00 C ATOM 459 OD1 ASN A 30 13.812 8.965 2.691 1.00 0.00 O ATOM 460 ND2 ASN A 30 13.218 10.841 1.717 1.00 0.00 N ATOM 0 H ASN A 30 9.322 8.233 0.793 1.00 0.00 H new ATOM 0 HA ASN A 30 12.097 8.803 -0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.801 9.915 2.018 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.281 8.429 2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.162 11.213 1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.494 11.404 1.271 1.00 0.00 H new ATOM 467 N ARG A 31 13.067 6.659 1.178 1.00 0.00 N ATOM 468 CA ARG A 31 13.548 5.299 1.410 1.00 0.00 C ATOM 469 C ARG A 31 13.089 4.800 2.776 1.00 0.00 C ATOM 470 O ARG A 31 13.830 4.856 3.757 1.00 0.00 O ATOM 471 CB ARG A 31 15.076 5.251 1.346 1.00 0.00 C ATOM 472 CG ARG A 31 15.536 3.795 1.247 1.00 0.00 C ATOM 473 CD ARG A 31 17.037 3.754 0.953 1.00 0.00 C ATOM 474 NE ARG A 31 17.807 3.999 2.170 1.00 0.00 N ATOM 475 CZ ARG A 31 17.776 3.140 3.185 1.00 0.00 C ATOM 476 NH1 ARG A 31 18.592 2.122 3.202 1.00 0.00 N ATOM 477 NH2 ARG A 31 16.931 3.317 4.163 1.00 0.00 N ATOM 0 H ARG A 31 13.778 7.385 1.268 1.00 0.00 H new ATOM 0 HA ARG A 31 13.135 4.658 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.433 5.816 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.503 5.719 2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.322 3.271 2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.986 3.281 0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.305 2.783 0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 31 17.286 4.503 0.202 1.00 0.00 H new ATOM 0 HE ARG A 31 18.377 4.842 2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.253 1.985 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.569 1.463 3.980 1.00 0.00 H new ATOM 0 HH21 ARG A 31 16.294 4.114 4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.907 2.658 4.942 1.00 0.00 H new ATOM 491 N GLU A 32 11.853 4.312 2.825 1.00 0.00 N ATOM 492 CA GLU A 32 11.293 3.802 4.073 1.00 0.00 C ATOM 493 C GLU A 32 10.263 2.714 3.784 1.00 0.00 C ATOM 494 O GLU A 32 9.120 2.998 3.429 1.00 0.00 O ATOM 495 CB GLU A 32 10.620 4.929 4.859 1.00 0.00 C ATOM 496 CG GLU A 32 11.690 5.860 5.434 1.00 0.00 C ATOM 497 CD GLU A 32 11.035 6.875 6.364 1.00 0.00 C ATOM 498 OE1 GLU A 32 10.253 7.676 5.879 1.00 0.00 O ATOM 499 OE2 GLU A 32 11.325 6.836 7.549 1.00 0.00 O ATOM 0 H GLU A 32 11.225 4.259 2.023 1.00 0.00 H new ATOM 0 HA GLU A 32 12.109 3.386 4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.947 5.488 4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.014 4.514 5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.436 5.281 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.212 6.374 4.627 1.00 0.00 H new ATOM 506 N GLU A 33 10.687 1.462 3.937 1.00 0.00 N ATOM 507 CA GLU A 33 9.800 0.326 3.689 1.00 0.00 C ATOM 508 C GLU A 33 8.568 0.393 4.586 1.00 0.00 C ATOM 509 O GLU A 33 8.670 0.613 5.793 1.00 0.00 O ATOM 510 CB GLU A 33 10.534 -0.990 3.952 1.00 0.00 C ATOM 511 CG GLU A 33 11.430 -1.324 2.757 1.00 0.00 C ATOM 512 CD GLU A 33 10.614 -2.056 1.697 1.00 0.00 C ATOM 513 OE1 GLU A 33 9.560 -1.554 1.340 1.00 0.00 O ATOM 514 OE2 GLU A 33 11.054 -3.104 1.258 1.00 0.00 O ATOM 0 H GLU A 33 11.631 1.208 4.229 1.00 0.00 H new ATOM 0 HA GLU A 33 9.487 0.370 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.134 -0.909 4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.815 -1.793 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.852 -0.410 2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.267 -1.944 3.079 1.00 0.00 H new ATOM 521 N VAL A 34 7.399 0.199 3.979 1.00 0.00 N ATOM 522 CA VAL A 34 6.146 0.238 4.726 1.00 0.00 C ATOM 523 C VAL A 34 5.219 -0.886 4.254 1.00 0.00 C ATOM 524 O VAL A 34 5.377 -1.420 3.157 1.00 0.00 O ATOM 525 CB VAL A 34 5.458 1.601 4.542 1.00 0.00 C ATOM 526 CG1 VAL A 34 5.128 1.827 3.063 1.00 0.00 C ATOM 527 CG2 VAL A 34 4.166 1.651 5.367 1.00 0.00 C ATOM 0 H VAL A 34 7.294 0.015 2.981 1.00 0.00 H new ATOM 0 HA VAL A 34 6.365 0.096 5.784 1.00 0.00 H new ATOM 0 HB VAL A 34 6.135 2.384 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.641 2.795 2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.048 1.808 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.460 1.039 2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.685 2.620 5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.492 0.861 5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.402 1.508 6.421 1.00 0.00 H new ATOM 537 N ASP A 35 4.250 -1.236 5.097 1.00 0.00 N ATOM 538 CA ASP A 35 3.307 -2.298 4.755 1.00 0.00 C ATOM 539 C ASP A 35 1.947 -2.034 5.395 1.00 0.00 C ATOM 540 O ASP A 35 1.774 -2.181 6.605 1.00 0.00 O ATOM 541 CB ASP A 35 3.829 -3.653 5.236 1.00 0.00 C ATOM 542 CG ASP A 35 3.361 -4.747 4.282 1.00 0.00 C ATOM 543 OD1 ASP A 35 2.204 -5.125 4.369 1.00 0.00 O ATOM 544 OD2 ASP A 35 4.165 -5.190 3.480 1.00 0.00 O ATOM 0 H ASP A 35 4.098 -0.807 6.010 1.00 0.00 H new ATOM 0 HA ASP A 35 3.200 -2.314 3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.918 -3.639 5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.468 -3.856 6.244 1.00 0.00 H new ATOM 549 N ASP A 36 0.983 -1.643 4.566 1.00 0.00 N ATOM 550 CA ASP A 36 -0.365 -1.362 5.054 1.00 0.00 C ATOM 551 C ASP A 36 -1.407 -1.877 4.057 1.00 0.00 C ATOM 552 O ASP A 36 -1.133 -1.979 2.862 1.00 0.00 O ATOM 553 CB ASP A 36 -0.562 0.142 5.252 1.00 0.00 C ATOM 554 CG ASP A 36 -0.018 0.549 6.617 1.00 0.00 C ATOM 555 OD1 ASP A 36 -0.682 0.276 7.603 1.00 0.00 O ATOM 556 OD2 ASP A 36 1.055 1.130 6.657 1.00 0.00 O ATOM 0 H ASP A 36 1.107 -1.514 3.562 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.492 -1.870 6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.049 0.694 4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.620 0.394 5.180 1.00 0.00 H new ATOM 561 N PRO A 37 -2.615 -2.211 4.536 1.00 0.00 N ATOM 562 CA PRO A 37 -3.688 -2.720 3.668 1.00 0.00 C ATOM 563 C PRO A 37 -4.265 -1.642 2.752 1.00 0.00 C ATOM 564 O PRO A 37 -4.354 -1.824 1.537 1.00 0.00 O ATOM 565 CB PRO A 37 -4.748 -3.219 4.648 1.00 0.00 C ATOM 566 CG PRO A 37 -4.517 -2.444 5.898 1.00 0.00 C ATOM 567 CD PRO A 37 -3.050 -2.127 5.942 1.00 0.00 C ATOM 0 HA PRO A 37 -3.323 -3.494 2.993 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.753 -3.052 4.261 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.649 -4.290 4.824 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.111 -1.530 5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.815 -3.022 6.773 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.870 -1.134 6.355 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.509 -2.836 6.569 1.00 0.00 H new ATOM 575 N LYS A 38 -4.656 -0.517 3.347 1.00 0.00 N ATOM 576 CA LYS A 38 -5.224 0.589 2.577 1.00 0.00 C ATOM 577 C LYS A 38 -4.244 1.061 1.503 1.00 0.00 C ATOM 578 O LYS A 38 -4.647 1.526 0.437 1.00 0.00 O ATOM 579 CB LYS A 38 -5.558 1.765 3.498 1.00 0.00 C ATOM 580 CG LYS A 38 -6.594 1.323 4.534 1.00 0.00 C ATOM 581 CD LYS A 38 -6.579 2.291 5.719 1.00 0.00 C ATOM 582 CE LYS A 38 -7.844 2.092 6.556 1.00 0.00 C ATOM 583 NZ LYS A 38 -7.918 0.710 7.109 1.00 0.00 N ATOM 0 H LYS A 38 -4.591 -0.347 4.351 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.135 0.229 2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.656 2.117 3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.945 2.600 2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.586 1.299 4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.374 0.311 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.694 2.119 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.524 3.319 5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.859 2.814 7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.723 2.287 5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.701 0.651 7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.081 0.035 6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.024 0.479 7.587 1.00 0.00 H new ATOM 597 N LEU A 39 -2.953 0.935 1.798 1.00 0.00 N ATOM 598 CA LEU A 39 -1.921 1.349 0.853 1.00 0.00 C ATOM 599 C LEU A 39 -2.000 0.515 -0.424 1.00 0.00 C ATOM 600 O LEU A 39 -2.179 1.046 -1.520 1.00 0.00 O ATOM 601 CB LEU A 39 -0.531 1.188 1.478 1.00 0.00 C ATOM 602 CG LEU A 39 0.458 2.313 1.169 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.735 2.110 1.986 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.798 2.295 -0.324 1.00 0.00 C ATOM 0 H LEU A 39 -2.599 0.553 2.675 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.087 2.398 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.643 1.112 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.103 0.246 1.135 1.00 0.00 H new ATOM 0 HG LEU A 39 0.011 3.272 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.439 2.912 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.493 2.122 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.184 1.151 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.503 3.096 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.245 1.336 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.112 2.440 -0.906 1.00 0.00 H new ATOM 616 N LYS A 40 -1.860 -0.799 -0.267 1.00 0.00 N ATOM 617 CA LYS A 40 -1.914 -1.706 -1.412 1.00 0.00 C ATOM 618 C LYS A 40 -3.271 -1.614 -2.103 1.00 0.00 C ATOM 619 O LYS A 40 -3.370 -1.706 -3.326 1.00 0.00 O ATOM 620 CB LYS A 40 -1.686 -3.154 -0.967 1.00 0.00 C ATOM 621 CG LYS A 40 -0.428 -3.239 -0.099 1.00 0.00 C ATOM 622 CD LYS A 40 0.140 -4.657 -0.160 1.00 0.00 C ATOM 623 CE LYS A 40 1.000 -4.917 1.077 1.00 0.00 C ATOM 624 NZ LYS A 40 0.202 -5.534 2.175 1.00 0.00 N ATOM 0 H LYS A 40 -1.710 -1.257 0.632 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.127 -1.410 -2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.550 -3.512 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.581 -3.800 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.316 -2.523 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.666 -2.975 0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.671 -5.383 -0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.737 -4.782 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.829 -5.574 0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.434 -3.979 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.744 -5.496 3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.690 -5.012 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.006 -6.525 1.938 1.00 0.00 H new ATOM 638 N GLU A 41 -4.314 -1.436 -1.300 1.00 0.00 N ATOM 639 CA GLU A 41 -5.669 -1.335 -1.834 1.00 0.00 C ATOM 640 C GLU A 41 -5.816 -0.089 -2.701 1.00 0.00 C ATOM 641 O GLU A 41 -6.201 -0.166 -3.866 1.00 0.00 O ATOM 642 CB GLU A 41 -6.687 -1.265 -0.693 1.00 0.00 C ATOM 643 CG GLU A 41 -6.921 -2.668 -0.130 1.00 0.00 C ATOM 644 CD GLU A 41 -8.116 -3.306 -0.830 1.00 0.00 C ATOM 645 OE1 GLU A 41 -7.953 -3.740 -1.958 1.00 0.00 O ATOM 646 OE2 GLU A 41 -9.175 -3.352 -0.227 1.00 0.00 O ATOM 0 H GLU A 41 -4.250 -1.359 -0.285 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.855 -2.222 -2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.323 -0.603 0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.626 -0.846 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.032 -3.282 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.101 -2.615 0.944 1.00 0.00 H new ATOM 653 N HIS A 42 -5.512 1.066 -2.109 1.00 0.00 N ATOM 654 CA HIS A 42 -5.621 2.345 -2.818 1.00 0.00 C ATOM 655 C HIS A 42 -4.873 2.319 -4.151 1.00 0.00 C ATOM 656 O HIS A 42 -5.438 2.629 -5.199 1.00 0.00 O ATOM 657 CB HIS A 42 -5.049 3.476 -1.960 1.00 0.00 C ATOM 658 CG HIS A 42 -5.609 4.793 -2.423 1.00 0.00 C ATOM 659 ND1 HIS A 42 -5.597 5.923 -1.620 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.197 5.179 -3.602 1.00 0.00 C ATOM 661 CE1 HIS A 42 -6.162 6.924 -2.320 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.546 6.524 -3.534 1.00 0.00 N ATOM 0 H HIS A 42 -5.189 1.144 -1.145 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.680 2.515 -3.012 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.298 3.312 -0.911 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.961 3.486 -2.032 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.363 4.536 -4.453 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.289 7.929 -1.945 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.998 7.084 -4.257 1.00 0.00 H new ATOM 670 N ALA A 43 -3.592 1.961 -4.096 1.00 0.00 N ATOM 671 CA ALA A 43 -2.760 1.915 -5.302 1.00 0.00 C ATOM 672 C ALA A 43 -3.394 1.045 -6.388 1.00 0.00 C ATOM 673 O ALA A 43 -3.440 1.430 -7.556 1.00 0.00 O ATOM 674 CB ALA A 43 -1.373 1.361 -4.973 1.00 0.00 C ATOM 0 H ALA A 43 -3.108 1.700 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.675 2.936 -5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.768 1.333 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.891 2.002 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.470 0.353 -4.571 1.00 0.00 H new ATOM 680 N PHE A 44 -3.879 -0.132 -5.996 1.00 0.00 N ATOM 681 CA PHE A 44 -4.504 -1.043 -6.956 1.00 0.00 C ATOM 682 C PHE A 44 -5.683 -0.363 -7.650 1.00 0.00 C ATOM 683 O PHE A 44 -5.923 -0.564 -8.840 1.00 0.00 O ATOM 684 CB PHE A 44 -4.992 -2.318 -6.256 1.00 0.00 C ATOM 685 CG PHE A 44 -5.501 -3.308 -7.282 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.714 -3.639 -8.394 1.00 0.00 C ATOM 687 CD2 PHE A 44 -6.761 -3.897 -7.118 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.189 -4.555 -9.340 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.235 -4.813 -8.064 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.449 -5.143 -9.175 1.00 0.00 C ATOM 0 H PHE A 44 -3.853 -0.475 -5.036 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.754 -1.311 -7.700 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.179 -2.762 -5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.785 -2.074 -5.549 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.741 -3.187 -8.521 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.367 -3.644 -6.261 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.583 -4.808 -10.198 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.207 -5.266 -7.937 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.815 -5.851 -9.904 1.00 0.00 H new ATOM 700 N CYS A 45 -6.408 0.453 -6.893 1.00 0.00 N ATOM 701 CA CYS A 45 -7.553 1.169 -7.445 1.00 0.00 C ATOM 702 C CYS A 45 -7.104 2.142 -8.540 1.00 0.00 C ATOM 703 O CYS A 45 -7.898 2.541 -9.392 1.00 0.00 O ATOM 704 CB CYS A 45 -8.278 1.957 -6.348 1.00 0.00 C ATOM 705 SG CYS A 45 -8.699 0.852 -4.976 1.00 0.00 S ATOM 0 H CYS A 45 -6.227 0.634 -5.906 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.232 0.430 -7.871 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.644 2.769 -5.992 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.183 2.412 -6.752 1.00 0.00 H new ATOM 710 N ILE A 46 -5.825 2.526 -8.507 1.00 0.00 N ATOM 711 CA ILE A 46 -5.293 3.458 -9.501 1.00 0.00 C ATOM 712 C ILE A 46 -4.682 2.700 -10.678 1.00 0.00 C ATOM 713 O ILE A 46 -4.759 3.141 -11.824 1.00 0.00 O ATOM 714 CB ILE A 46 -4.211 4.367 -8.892 1.00 0.00 C ATOM 715 CG1 ILE A 46 -4.606 4.812 -7.471 1.00 0.00 C ATOM 716 CG2 ILE A 46 -4.030 5.604 -9.775 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.956 5.536 -7.493 1.00 0.00 C ATOM 0 H ILE A 46 -5.148 2.210 -7.812 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.127 4.070 -9.845 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.278 3.806 -8.836 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.662 3.944 -6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.839 5.471 -7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.264 6.249 -9.345 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.725 5.296 -10.775 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.972 6.149 -9.835 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.220 5.844 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.887 6.415 -8.133 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.723 4.865 -7.880 1.00 0.00 H new ATOM 729 N LEU A 47 -4.065 1.555 -10.382 1.00 0.00 N ATOM 730 CA LEU A 47 -3.436 0.746 -11.427 1.00 0.00 C ATOM 731 C LEU A 47 -4.463 0.337 -12.484 1.00 0.00 C ATOM 732 O LEU A 47 -4.197 0.397 -13.684 1.00 0.00 O ATOM 733 CB LEU A 47 -2.787 -0.510 -10.823 1.00 0.00 C ATOM 734 CG LEU A 47 -1.258 -0.482 -10.747 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.678 -0.337 -12.156 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.815 0.701 -9.883 1.00 0.00 C ATOM 0 H LEU A 47 -3.988 1.171 -9.440 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.663 1.351 -11.900 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.182 -0.656 -9.818 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.090 -1.375 -11.413 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.897 -1.410 -10.304 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.410 -0.317 -12.101 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.995 -1.181 -12.769 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.036 0.591 -12.603 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.273 0.723 -9.827 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.175 1.630 -10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.228 0.594 -8.880 1.00 0.00 H new ATOM 748 N LYS A 48 -5.639 -0.077 -12.022 1.00 0.00 N ATOM 749 CA LYS A 48 -6.700 -0.491 -12.936 1.00 0.00 C ATOM 750 C LYS A 48 -7.158 0.687 -13.794 1.00 0.00 C ATOM 751 O LYS A 48 -7.584 0.512 -14.935 1.00 0.00 O ATOM 752 CB LYS A 48 -7.898 -1.034 -12.155 1.00 0.00 C ATOM 753 CG LYS A 48 -8.650 -2.055 -13.014 1.00 0.00 C ATOM 754 CD LYS A 48 -10.151 -1.958 -12.729 1.00 0.00 C ATOM 755 CE LYS A 48 -10.450 -2.562 -11.356 1.00 0.00 C ATOM 756 NZ LYS A 48 -11.881 -2.962 -11.238 1.00 0.00 N ATOM 0 H LYS A 48 -5.880 -0.135 -11.033 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.301 -1.275 -13.580 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.561 -1.500 -11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.564 -0.217 -11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.457 -1.869 -14.071 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.293 -3.062 -12.797 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.471 -0.916 -12.757 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.713 -2.485 -13.500 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.813 -3.431 -11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.208 -1.838 -10.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.051 -3.368 -10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.487 -2.127 -11.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.105 -3.671 -11.966 1.00 0.00 H new ATOM 770 N ARG A 49 -7.066 1.889 -13.229 1.00 0.00 N ATOM 771 CA ARG A 49 -7.475 3.093 -13.951 1.00 0.00 C ATOM 772 C ARG A 49 -6.355 3.579 -14.865 1.00 0.00 C ATOM 773 O ARG A 49 -6.602 4.083 -15.960 1.00 0.00 O ATOM 774 CB ARG A 49 -7.830 4.210 -12.968 1.00 0.00 C ATOM 775 CG ARG A 49 -9.256 4.006 -12.453 1.00 0.00 C ATOM 776 CD ARG A 49 -9.549 5.014 -11.340 1.00 0.00 C ATOM 777 NE ARG A 49 -9.241 6.373 -11.779 1.00 0.00 N ATOM 778 CZ ARG A 49 -10.178 7.317 -11.797 1.00 0.00 C ATOM 779 NH1 ARG A 49 -11.255 7.154 -12.516 1.00 0.00 N ATOM 780 NH2 ARG A 49 -10.021 8.406 -11.095 1.00 0.00 N ATOM 0 H ARG A 49 -6.716 2.055 -12.285 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.349 2.841 -14.551 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.128 4.211 -12.134 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.745 5.180 -13.458 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.969 4.131 -13.268 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.376 2.990 -12.078 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.598 4.949 -11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.959 4.769 -10.457 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.292 6.602 -12.076 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.378 6.303 -13.064 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.973 7.878 -12.530 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.180 8.533 -10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.740 9.130 -11.109 1.00 0.00 H new ATOM 794 N ALA A 50 -5.117 3.425 -14.400 1.00 0.00 N ATOM 795 CA ALA A 50 -3.957 3.854 -15.180 1.00 0.00 C ATOM 796 C ALA A 50 -3.911 3.137 -16.528 1.00 0.00 C ATOM 797 O ALA A 50 -3.407 3.674 -17.515 1.00 0.00 O ATOM 798 CB ALA A 50 -2.663 3.563 -14.418 1.00 0.00 C ATOM 0 H ALA A 50 -4.892 3.010 -13.496 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.050 4.927 -15.348 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.809 3.888 -15.013 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.671 4.100 -13.470 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.586 2.493 -14.228 1.00 0.00 H new ATOM 804 N GLY A 51 -4.441 1.917 -16.559 1.00 0.00 N ATOM 805 CA GLY A 51 -4.453 1.135 -17.790 1.00 0.00 C ATOM 806 C GLY A 51 -3.224 0.234 -17.869 1.00 0.00 C ATOM 807 O GLY A 51 -2.716 -0.056 -18.952 1.00 0.00 O ATOM 0 H GLY A 51 -4.863 1.453 -15.755 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.358 0.529 -17.833 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.476 1.803 -18.651 1.00 0.00 H new ATOM 811 N PHE A 52 -2.755 -0.207 -16.705 1.00 0.00 N ATOM 812 CA PHE A 52 -1.585 -1.079 -16.644 1.00 0.00 C ATOM 813 C PHE A 52 -2.008 -2.511 -16.338 1.00 0.00 C ATOM 814 O PHE A 52 -1.597 -3.455 -17.014 1.00 0.00 O ATOM 815 CB PHE A 52 -0.620 -0.600 -15.557 1.00 0.00 C ATOM 816 CG PHE A 52 0.371 0.373 -16.150 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.264 -0.054 -17.138 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.395 1.703 -15.710 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.184 0.848 -17.688 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.315 2.604 -16.259 1.00 0.00 C ATOM 821 CZ PHE A 52 2.208 2.177 -17.248 1.00 0.00 C ATOM 0 H PHE A 52 -3.163 0.022 -15.799 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.086 -1.046 -17.612 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.175 -0.122 -14.749 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.094 -1.451 -15.123 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.244 -1.079 -17.477 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.296 2.033 -14.948 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.874 0.519 -18.451 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.336 3.629 -15.919 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.916 2.873 -17.672 1.00 0.00 H new ATOM 831 N ILE A 53 -2.837 -2.660 -15.310 1.00 0.00 N ATOM 832 CA ILE A 53 -3.317 -3.979 -14.914 1.00 0.00 C ATOM 833 C ILE A 53 -4.790 -4.143 -15.308 1.00 0.00 C ATOM 834 O ILE A 53 -5.567 -3.190 -15.250 1.00 0.00 O ATOM 835 CB ILE A 53 -3.128 -4.173 -13.398 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.340 -5.645 -13.037 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.112 -3.301 -12.606 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.477 -5.997 -11.821 1.00 0.00 C ATOM 0 H ILE A 53 -3.188 -1.890 -14.740 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.738 -4.743 -15.433 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.114 -3.872 -13.137 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.391 -5.830 -12.817 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.075 -6.280 -13.882 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.958 -3.457 -11.538 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.944 -2.252 -12.848 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.134 -3.575 -12.869 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.625 -7.045 -11.561 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.427 -5.827 -12.059 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.764 -5.369 -10.977 1.00 0.00 H new ATOM 850 N ASP A 54 -5.162 -5.352 -15.722 1.00 0.00 N ATOM 851 CA ASP A 54 -6.542 -5.606 -16.135 1.00 0.00 C ATOM 852 C ASP A 54 -7.390 -6.099 -14.964 1.00 0.00 C ATOM 853 O ASP A 54 -6.876 -6.428 -13.895 1.00 0.00 O ATOM 854 CB ASP A 54 -6.591 -6.642 -17.263 1.00 0.00 C ATOM 855 CG ASP A 54 -5.808 -7.888 -16.861 1.00 0.00 C ATOM 856 OD1 ASP A 54 -5.817 -8.217 -15.686 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.213 -8.495 -17.735 1.00 0.00 O ATOM 0 H ASP A 54 -4.541 -6.159 -15.781 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.950 -4.661 -16.493 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.626 -6.907 -17.480 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.172 -6.218 -18.176 1.00 0.00 H new ATOM 862 N ALA A 55 -8.702 -6.137 -15.192 1.00 0.00 N ATOM 863 CA ALA A 55 -9.654 -6.582 -14.170 1.00 0.00 C ATOM 864 C ALA A 55 -9.308 -7.972 -13.626 1.00 0.00 C ATOM 865 O ALA A 55 -9.761 -8.349 -12.546 1.00 0.00 O ATOM 866 CB ALA A 55 -11.068 -6.623 -14.751 1.00 0.00 C ATOM 0 H ALA A 55 -9.132 -5.865 -16.076 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.598 -5.866 -13.350 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.767 -6.955 -13.984 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.350 -5.627 -15.093 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.096 -7.316 -15.592 1.00 0.00 H new ATOM 872 N SER A 56 -8.517 -8.737 -14.377 1.00 0.00 N ATOM 873 CA SER A 56 -8.152 -10.083 -13.940 1.00 0.00 C ATOM 874 C SER A 56 -6.900 -10.054 -13.064 1.00 0.00 C ATOM 875 O SER A 56 -6.687 -10.944 -12.241 1.00 0.00 O ATOM 876 CB SER A 56 -7.890 -10.985 -15.147 1.00 0.00 C ATOM 877 OG SER A 56 -8.858 -10.716 -16.152 1.00 0.00 O ATOM 0 H SER A 56 -8.123 -8.455 -15.274 1.00 0.00 H new ATOM 0 HA SER A 56 -8.986 -10.477 -13.360 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.887 -10.810 -15.536 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.938 -12.033 -14.850 1.00 0.00 H new ATOM 0 HG SER A 56 -8.692 -11.291 -16.928 1.00 0.00 H new ATOM 883 N GLY A 57 -6.077 -9.022 -13.238 1.00 0.00 N ATOM 884 CA GLY A 57 -4.862 -8.897 -12.443 1.00 0.00 C ATOM 885 C GLY A 57 -3.625 -9.315 -13.236 1.00 0.00 C ATOM 886 O GLY A 57 -2.605 -9.693 -12.660 1.00 0.00 O ATOM 0 H GLY A 57 -6.227 -8.272 -13.912 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.749 -7.865 -12.109 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.947 -9.514 -11.548 1.00 0.00 H new ATOM 890 N GLU A 58 -3.717 -9.235 -14.562 1.00 0.00 N ATOM 891 CA GLU A 58 -2.589 -9.601 -15.413 1.00 0.00 C ATOM 892 C GLU A 58 -1.639 -8.417 -15.558 1.00 0.00 C ATOM 893 O GLU A 58 -1.991 -7.387 -16.133 1.00 0.00 O ATOM 894 CB GLU A 58 -3.076 -10.022 -16.802 1.00 0.00 C ATOM 895 CG GLU A 58 -2.130 -11.078 -17.376 1.00 0.00 C ATOM 896 CD GLU A 58 -2.201 -11.050 -18.900 1.00 0.00 C ATOM 897 OE1 GLU A 58 -1.785 -10.057 -19.474 1.00 0.00 O ATOM 898 OE2 GLU A 58 -2.671 -12.021 -19.470 1.00 0.00 O ATOM 0 H GLU A 58 -4.549 -8.924 -15.064 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.069 -10.438 -14.947 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.088 -10.421 -16.739 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.116 -9.156 -17.463 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.109 -10.886 -17.045 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.404 -12.066 -17.007 1.00 0.00 H new ATOM 905 N PHE A 59 -0.432 -8.572 -15.022 1.00 0.00 N ATOM 906 CA PHE A 59 0.559 -7.502 -15.089 1.00 0.00 C ATOM 907 C PHE A 59 1.024 -7.286 -16.528 1.00 0.00 C ATOM 908 O PHE A 59 1.092 -8.223 -17.323 1.00 0.00 O ATOM 909 CB PHE A 59 1.774 -7.829 -14.211 1.00 0.00 C ATOM 910 CG PHE A 59 2.299 -9.205 -14.550 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.990 -9.416 -15.750 1.00 0.00 C ATOM 912 CD2 PHE A 59 2.097 -10.271 -13.663 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.476 -10.692 -16.063 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.583 -11.544 -13.978 1.00 0.00 C ATOM 915 CZ PHE A 59 3.273 -11.756 -15.177 1.00 0.00 C ATOM 0 H PHE A 59 -0.119 -9.416 -14.542 1.00 0.00 H new ATOM 0 HA PHE A 59 0.086 -6.591 -14.722 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.555 -7.084 -14.364 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.495 -7.786 -13.158 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.148 -8.595 -16.434 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.566 -10.110 -12.736 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.008 -10.855 -16.989 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.425 -12.365 -13.295 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.648 -12.740 -15.418 1.00 0.00 H new ATOM 925 N GLN A 60 1.345 -6.035 -16.847 1.00 0.00 N ATOM 926 CA GLN A 60 1.808 -5.689 -18.190 1.00 0.00 C ATOM 927 C GLN A 60 3.086 -4.859 -18.100 1.00 0.00 C ATOM 928 O GLN A 60 3.063 -3.636 -18.231 1.00 0.00 O ATOM 929 CB GLN A 60 0.740 -4.889 -18.938 1.00 0.00 C ATOM 930 CG GLN A 60 -0.283 -5.849 -19.549 1.00 0.00 C ATOM 931 CD GLN A 60 -1.595 -5.110 -19.789 1.00 0.00 C ATOM 932 OE1 GLN A 60 -1.651 -4.176 -20.590 1.00 0.00 O ATOM 933 NE2 GLN A 60 -2.665 -5.474 -19.138 1.00 0.00 N ATOM 0 H GLN A 60 1.294 -5.248 -16.200 1.00 0.00 H new ATOM 0 HA GLN A 60 2.006 -6.613 -18.734 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.244 -4.198 -18.256 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.203 -4.288 -19.721 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.096 -6.252 -20.488 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.447 -6.695 -18.882 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.620 -6.247 -18.474 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.547 -4.985 -19.293 1.00 0.00 H new ATOM 942 N LEU A 61 4.200 -5.542 -17.861 1.00 0.00 N ATOM 943 CA LEU A 61 5.491 -4.868 -17.736 1.00 0.00 C ATOM 944 C LEU A 61 5.970 -4.322 -19.080 1.00 0.00 C ATOM 945 O LEU A 61 6.733 -3.357 -19.131 1.00 0.00 O ATOM 946 CB LEU A 61 6.543 -5.838 -17.192 1.00 0.00 C ATOM 947 CG LEU A 61 6.064 -6.770 -16.074 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.255 -7.552 -15.517 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.430 -5.943 -14.953 1.00 0.00 C ATOM 0 H LEU A 61 4.238 -6.555 -17.750 1.00 0.00 H new ATOM 0 HA LEU A 61 5.358 -4.034 -17.046 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.911 -6.448 -18.017 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.389 -5.259 -16.821 1.00 0.00 H new ATOM 0 HG LEU A 61 5.326 -7.465 -16.474 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.915 -8.215 -14.722 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.707 -8.143 -16.314 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.993 -6.856 -15.118 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.090 -6.607 -14.159 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.167 -5.247 -14.553 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.581 -5.385 -15.348 1.00 0.00 H new ATOM 961 N ASP A 62 5.523 -4.946 -20.166 1.00 0.00 N ATOM 962 CA ASP A 62 5.926 -4.505 -21.502 1.00 0.00 C ATOM 963 C ASP A 62 5.536 -3.048 -21.740 1.00 0.00 C ATOM 964 O ASP A 62 6.188 -2.335 -22.504 1.00 0.00 O ATOM 965 CB ASP A 62 5.274 -5.379 -22.576 1.00 0.00 C ATOM 966 CG ASP A 62 3.763 -5.397 -22.370 1.00 0.00 C ATOM 967 OD1 ASP A 62 3.306 -6.180 -21.554 1.00 0.00 O ATOM 968 OD2 ASP A 62 3.086 -4.629 -23.032 1.00 0.00 O ATOM 0 H ASP A 62 4.891 -5.747 -20.152 1.00 0.00 H new ATOM 0 HA ASP A 62 7.010 -4.598 -21.565 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.512 -4.993 -23.567 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.671 -6.393 -22.525 1.00 0.00 H new ATOM 973 N HIS A 63 4.468 -2.610 -21.078 1.00 0.00 N ATOM 974 CA HIS A 63 4.003 -1.233 -21.228 1.00 0.00 C ATOM 975 C HIS A 63 4.613 -0.344 -20.147 1.00 0.00 C ATOM 976 O HIS A 63 4.870 0.840 -20.369 1.00 0.00 O ATOM 977 CB HIS A 63 2.478 -1.169 -21.123 1.00 0.00 C ATOM 978 CG HIS A 63 1.864 -1.886 -22.294 1.00 0.00 C ATOM 979 ND1 HIS A 63 0.855 -2.823 -22.140 1.00 0.00 N ATOM 980 CD2 HIS A 63 2.106 -1.814 -23.644 1.00 0.00 C ATOM 981 CE1 HIS A 63 0.529 -3.274 -23.365 1.00 0.00 C ATOM 982 NE2 HIS A 63 1.262 -2.692 -24.318 1.00 0.00 N ATOM 0 H HIS A 63 3.914 -3.181 -20.440 1.00 0.00 H new ATOM 0 HA HIS A 63 4.315 -0.877 -22.210 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.148 -1.625 -20.190 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.147 -0.131 -21.105 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.839 -1.174 -24.111 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.232 -4.016 -23.555 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.214 -2.856 -25.324 1.00 0.00 H new ATOM 990 N ILE A 64 4.836 -0.927 -18.974 1.00 0.00 N ATOM 991 CA ILE A 64 5.413 -0.183 -17.856 1.00 0.00 C ATOM 992 C ILE A 64 6.872 0.166 -18.137 1.00 0.00 C ATOM 993 O ILE A 64 7.286 1.318 -18.010 1.00 0.00 O ATOM 994 CB ILE A 64 5.339 -1.014 -16.569 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.891 -1.443 -16.321 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.829 -0.184 -15.377 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.866 -2.695 -15.440 1.00 0.00 C ATOM 0 H ILE A 64 4.628 -1.905 -18.772 1.00 0.00 H new ATOM 0 HA ILE A 64 4.840 0.736 -17.733 1.00 0.00 H new ATOM 0 HB ILE A 64 5.973 -1.894 -16.679 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.340 -0.636 -15.838 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.394 -1.645 -17.270 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.772 -0.783 -14.468 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.862 0.122 -15.546 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.202 0.701 -15.268 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.833 -2.997 -15.266 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.401 -3.503 -15.940 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.346 -2.478 -14.486 1.00 0.00 H new ATOM 1009 N LYS A 65 7.651 -0.849 -18.505 1.00 0.00 N ATOM 1010 CA LYS A 65 9.075 -0.652 -18.783 1.00 0.00 C ATOM 1011 C LYS A 65 9.292 0.446 -19.828 1.00 0.00 C ATOM 1012 O LYS A 65 10.188 1.279 -19.695 1.00 0.00 O ATOM 1013 CB LYS A 65 9.709 -1.962 -19.270 1.00 0.00 C ATOM 1014 CG LYS A 65 9.097 -2.391 -20.611 1.00 0.00 C ATOM 1015 CD LYS A 65 9.366 -3.881 -20.853 1.00 0.00 C ATOM 1016 CE LYS A 65 10.876 -4.137 -20.903 1.00 0.00 C ATOM 1017 NZ LYS A 65 11.211 -5.234 -21.856 1.00 0.00 N ATOM 0 H LYS A 65 7.325 -1.809 -18.617 1.00 0.00 H new ATOM 0 HA LYS A 65 9.554 -0.341 -17.854 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.786 -1.833 -19.380 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.556 -2.745 -18.527 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.024 -2.202 -20.608 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.523 -1.799 -21.421 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.914 -4.475 -20.059 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.904 -4.196 -21.789 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.392 -3.224 -21.201 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.236 -4.396 -19.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.240 -5.382 -21.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.738 -6.110 -21.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.889 -4.975 -22.810 1.00 0.00 H new ATOM 1031 N THR A 66 8.463 0.431 -20.867 1.00 0.00 N ATOM 1032 CA THR A 66 8.573 1.424 -21.933 1.00 0.00 C ATOM 1033 C THR A 66 8.352 2.832 -21.389 1.00 0.00 C ATOM 1034 O THR A 66 9.087 3.762 -21.721 1.00 0.00 O ATOM 1035 CB THR A 66 7.542 1.148 -23.028 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.514 -0.245 -23.311 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.918 1.920 -24.293 1.00 0.00 C ATOM 0 H THR A 66 7.714 -0.250 -20.994 1.00 0.00 H new ATOM 0 HA THR A 66 9.578 1.353 -22.349 1.00 0.00 H new ATOM 0 HB THR A 66 6.557 1.470 -22.689 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.835 -0.679 -22.753 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.182 1.722 -25.072 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.938 2.988 -24.075 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.903 1.601 -24.635 1.00 0.00 H new ATOM 1045 N LYS A 67 7.326 2.981 -20.556 1.00 0.00 N ATOM 1046 CA LYS A 67 7.010 4.285 -19.977 1.00 0.00 C ATOM 1047 C LYS A 67 8.154 4.784 -19.098 1.00 0.00 C ATOM 1048 O LYS A 67 8.643 5.901 -19.270 1.00 0.00 O ATOM 1049 CB LYS A 67 5.735 4.200 -19.135 1.00 0.00 C ATOM 1050 CG LYS A 67 4.515 4.445 -20.027 1.00 0.00 C ATOM 1051 CD LYS A 67 3.445 5.202 -19.237 1.00 0.00 C ATOM 1052 CE LYS A 67 2.710 6.169 -20.166 1.00 0.00 C ATOM 1053 NZ LYS A 67 2.277 7.398 -19.441 1.00 0.00 N ATOM 0 H LYS A 67 6.705 2.225 -20.269 1.00 0.00 H new ATOM 0 HA LYS A 67 6.861 4.985 -20.799 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.663 3.220 -18.664 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.766 4.938 -18.333 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.805 5.018 -20.908 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.115 3.495 -20.382 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.739 4.499 -18.795 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.905 5.750 -18.415 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.361 6.445 -20.995 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.840 5.673 -20.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.782 8.033 -20.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.636 7.136 -18.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.111 7.884 -19.053 1.00 0.00 H new ATOM 1067 N PHE A 68 8.570 3.949 -18.150 1.00 0.00 N ATOM 1068 CA PHE A 68 9.653 4.321 -17.243 1.00 0.00 C ATOM 1069 C PHE A 68 10.978 4.456 -17.995 1.00 0.00 C ATOM 1070 O PHE A 68 11.877 5.177 -17.563 1.00 0.00 O ATOM 1071 CB PHE A 68 9.809 3.271 -16.142 1.00 0.00 C ATOM 1072 CG PHE A 68 8.878 3.593 -14.997 1.00 0.00 C ATOM 1073 CD1 PHE A 68 7.557 3.126 -15.017 1.00 0.00 C ATOM 1074 CD2 PHE A 68 9.333 4.356 -13.916 1.00 0.00 C ATOM 1075 CE1 PHE A 68 6.694 3.422 -13.956 1.00 0.00 C ATOM 1076 CE2 PHE A 68 8.470 4.652 -12.854 1.00 0.00 C ATOM 1077 CZ PHE A 68 7.150 4.186 -12.875 1.00 0.00 C ATOM 0 H PHE A 68 8.179 3.020 -17.990 1.00 0.00 H new ATOM 0 HA PHE A 68 9.397 5.283 -16.800 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.586 2.280 -16.537 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.840 3.249 -15.790 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.205 2.538 -15.851 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.351 4.717 -13.901 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.676 3.061 -13.971 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.822 5.239 -12.019 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.483 4.416 -12.057 1.00 0.00 H new ATOM 1087 N LYS A 69 11.096 3.754 -19.122 1.00 0.00 N ATOM 1088 CA LYS A 69 12.323 3.809 -19.914 1.00 0.00 C ATOM 1089 C LYS A 69 12.426 5.136 -20.661 1.00 0.00 C ATOM 1090 O LYS A 69 13.264 5.979 -20.344 1.00 0.00 O ATOM 1091 CB LYS A 69 12.361 2.665 -20.930 1.00 0.00 C ATOM 1092 CG LYS A 69 13.040 1.446 -20.301 1.00 0.00 C ATOM 1093 CD LYS A 69 14.537 1.723 -20.137 1.00 0.00 C ATOM 1094 CE LYS A 69 15.324 0.429 -20.348 1.00 0.00 C ATOM 1095 NZ LYS A 69 16.766 0.706 -20.602 1.00 0.00 N ATOM 0 H LYS A 69 10.368 3.149 -19.502 1.00 0.00 H new ATOM 0 HA LYS A 69 13.163 3.714 -19.226 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.349 2.409 -21.244 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.903 2.976 -21.823 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.592 1.226 -19.332 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.888 0.568 -20.929 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.858 2.477 -20.855 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.736 2.124 -19.143 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.223 -0.207 -19.469 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.904 -0.121 -21.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.273 -0.192 -20.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.862 1.293 -21.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.171 1.210 -19.787 1.00 0.00 H new ATOM 1109 N GLU A 70 11.567 5.306 -21.665 1.00 0.00 N ATOM 1110 CA GLU A 70 11.568 6.530 -22.469 1.00 0.00 C ATOM 1111 C GLU A 70 11.417 7.771 -21.589 1.00 0.00 C ATOM 1112 O GLU A 70 10.386 7.976 -20.950 1.00 0.00 O ATOM 1113 CB GLU A 70 10.424 6.498 -23.490 1.00 0.00 C ATOM 1114 CG GLU A 70 9.081 6.325 -22.766 1.00 0.00 C ATOM 1115 CD GLU A 70 8.333 7.654 -22.743 1.00 0.00 C ATOM 1116 OE1 GLU A 70 8.296 8.309 -23.773 1.00 0.00 O ATOM 1117 OE2 GLU A 70 7.808 7.998 -21.697 1.00 0.00 O ATOM 0 H GLU A 70 10.866 4.618 -21.941 1.00 0.00 H new ATOM 0 HA GLU A 70 12.525 6.581 -22.988 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.418 7.420 -24.071 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.576 5.679 -24.193 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.480 5.568 -23.270 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.249 5.974 -21.748 1.00 0.00 H new ATOM 1124 N ASN A 71 12.462 8.595 -21.572 1.00 0.00 N ATOM 1125 CA ASN A 71 12.448 9.821 -20.776 1.00 0.00 C ATOM 1126 C ASN A 71 12.266 9.499 -19.296 1.00 0.00 C ATOM 1127 O ASN A 71 11.195 9.071 -18.865 1.00 0.00 O ATOM 1128 CB ASN A 71 11.312 10.742 -21.229 1.00 0.00 C ATOM 1129 CG ASN A 71 11.493 11.083 -22.704 1.00 0.00 C ATOM 1130 OD1 ASN A 71 10.833 10.504 -23.568 1.00 0.00 O ATOM 1131 ND2 ASN A 71 12.357 11.998 -23.049 1.00 0.00 N ATOM 0 H ASN A 71 13.323 8.439 -22.096 1.00 0.00 H new ATOM 0 HA ASN A 71 13.404 10.324 -20.922 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.350 10.254 -21.073 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.308 11.654 -20.632 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.485 12.233 -24.033 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.904 12.478 -22.334 1.00 0.00 H new ATOM 1138 N SER A 72 13.327 9.712 -18.523 1.00 0.00 N ATOM 1139 CA SER A 72 13.278 9.445 -17.088 1.00 0.00 C ATOM 1140 C SER A 72 14.412 10.178 -16.374 1.00 0.00 C ATOM 1141 O SER A 72 15.260 10.807 -17.006 1.00 0.00 O ATOM 1142 CB SER A 72 13.391 7.941 -16.820 1.00 0.00 C ATOM 1143 OG SER A 72 12.102 7.424 -16.512 1.00 0.00 O ATOM 0 H SER A 72 14.222 10.065 -18.861 1.00 0.00 H new ATOM 0 HA SER A 72 12.322 9.804 -16.705 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.801 7.433 -17.693 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.077 7.757 -15.993 1.00 0.00 H new ATOM 0 HG SER A 72 11.802 6.839 -17.239 1.00 0.00 H new ATOM 1149 N GLU A 73 14.412 10.090 -15.046 1.00 0.00 N ATOM 1150 CA GLU A 73 15.443 10.755 -14.251 1.00 0.00 C ATOM 1151 C GLU A 73 16.716 9.912 -14.198 1.00 0.00 C ATOM 1152 O GLU A 73 17.823 10.444 -14.116 1.00 0.00 O ATOM 1153 CB GLU A 73 14.949 11.007 -12.821 1.00 0.00 C ATOM 1154 CG GLU A 73 14.412 9.707 -12.217 1.00 0.00 C ATOM 1155 CD GLU A 73 14.294 9.860 -10.704 1.00 0.00 C ATOM 1156 OE1 GLU A 73 13.777 10.876 -10.271 1.00 0.00 O ATOM 1157 OE2 GLU A 73 14.722 8.959 -10.002 1.00 0.00 O ATOM 0 H GLU A 73 13.721 9.573 -14.503 1.00 0.00 H new ATOM 0 HA GLU A 73 15.663 11.709 -14.730 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.764 11.393 -12.209 1.00 0.00 H new ATOM 0 HB3 GLU A 73 14.167 11.766 -12.826 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.439 9.469 -12.646 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.078 8.879 -12.459 1.00 0.00 H new ATOM 1164 N HIS A 74 16.548 8.594 -14.245 1.00 0.00 N ATOM 1165 CA HIS A 74 17.697 7.692 -14.201 1.00 0.00 C ATOM 1166 C HIS A 74 17.368 6.367 -14.905 1.00 0.00 C ATOM 1167 O HIS A 74 17.478 5.291 -14.313 1.00 0.00 O ATOM 1168 CB HIS A 74 18.101 7.413 -12.749 1.00 0.00 C ATOM 1169 CG HIS A 74 19.113 8.434 -12.304 1.00 0.00 C ATOM 1170 ND1 HIS A 74 20.241 8.731 -13.051 1.00 0.00 N ATOM 1171 CD2 HIS A 74 19.179 9.235 -11.190 1.00 0.00 C ATOM 1172 CE1 HIS A 74 20.933 9.674 -12.385 1.00 0.00 C ATOM 1173 NE2 HIS A 74 20.329 10.018 -11.243 1.00 0.00 N ATOM 0 H HIS A 74 15.642 8.131 -14.313 1.00 0.00 H new ATOM 0 HA HIS A 74 18.527 8.173 -14.718 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.224 7.449 -12.103 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.519 6.410 -12.663 1.00 0.00 H new ATOM 0 HD2 HIS A 74 18.450 9.254 -10.394 1.00 0.00 H new ATOM 0 HE1 HIS A 74 21.863 10.101 -12.731 1.00 0.00 H new ATOM 0 HE2 HIS A 74 20.643 10.706 -10.558 1.00 0.00 H new ATOM 1181 N PRO A 75 16.962 6.430 -16.180 1.00 0.00 N ATOM 1182 CA PRO A 75 16.623 5.227 -16.954 1.00 0.00 C ATOM 1183 C PRO A 75 17.865 4.467 -17.411 1.00 0.00 C ATOM 1184 O PRO A 75 18.803 5.052 -17.953 1.00 0.00 O ATOM 1185 CB PRO A 75 15.861 5.769 -18.159 1.00 0.00 C ATOM 1186 CG PRO A 75 16.336 7.173 -18.331 1.00 0.00 C ATOM 1187 CD PRO A 75 16.794 7.656 -16.982 1.00 0.00 C ATOM 0 HA PRO A 75 16.049 4.515 -16.361 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.062 5.175 -19.050 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.785 5.737 -17.990 1.00 0.00 H new ATOM 0 HG2 PRO A 75 17.152 7.218 -19.053 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.536 7.806 -18.715 1.00 0.00 H new ATOM 0 HD2 PRO A 75 17.729 8.211 -17.057 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.061 8.326 -16.532 1.00 0.00 H new ATOM 1195 N GLU A 76 17.862 3.155 -17.188 1.00 0.00 N ATOM 1196 CA GLU A 76 18.996 2.324 -17.584 1.00 0.00 C ATOM 1197 C GLU A 76 18.727 0.857 -17.264 1.00 0.00 C ATOM 1198 O GLU A 76 19.024 -0.030 -18.064 1.00 0.00 O ATOM 1199 CB GLU A 76 20.266 2.767 -16.855 1.00 0.00 C ATOM 1200 CG GLU A 76 20.013 2.777 -15.346 1.00 0.00 C ATOM 1201 CD GLU A 76 21.164 3.485 -14.641 1.00 0.00 C ATOM 1202 OE1 GLU A 76 21.392 4.646 -14.942 1.00 0.00 O ATOM 1203 OE2 GLU A 76 21.801 2.858 -13.811 1.00 0.00 O ATOM 0 H GLU A 76 17.097 2.649 -16.741 1.00 0.00 H new ATOM 0 HA GLU A 76 19.134 2.440 -18.659 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.088 2.092 -17.092 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.563 3.761 -17.191 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.073 3.283 -15.128 1.00 0.00 H new ATOM 0 HG3 GLU A 76 19.919 1.756 -14.976 1.00 0.00 H new ATOM 1210 N LYS A 77 18.167 0.610 -16.083 1.00 0.00 N ATOM 1211 CA LYS A 77 17.870 -0.759 -15.666 1.00 0.00 C ATOM 1212 C LYS A 77 16.393 -0.911 -15.306 1.00 0.00 C ATOM 1213 O LYS A 77 16.029 -1.742 -14.474 1.00 0.00 O ATOM 1214 CB LYS A 77 18.718 -1.144 -14.452 1.00 0.00 C ATOM 1215 CG LYS A 77 20.098 -1.613 -14.918 1.00 0.00 C ATOM 1216 CD LYS A 77 20.591 -2.738 -14.007 1.00 0.00 C ATOM 1217 CE LYS A 77 20.123 -4.085 -14.559 1.00 0.00 C ATOM 1218 NZ LYS A 77 21.050 -4.594 -15.609 1.00 0.00 N ATOM 0 H LYS A 77 17.912 1.328 -15.405 1.00 0.00 H new ATOM 0 HA LYS A 77 18.105 -1.417 -16.502 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.820 -0.291 -13.782 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.225 -1.936 -13.888 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.046 -1.963 -15.949 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.802 -0.781 -14.899 1.00 0.00 H new ATOM 0 HD2 LYS A 77 21.679 -2.718 -13.943 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.209 -2.595 -12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.057 -4.810 -13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 77 19.121 -3.981 -14.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 20.515 -5.156 -16.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 21.503 -3.791 -16.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 21.780 -5.190 -15.169 1.00 0.00 H new ATOM 1232 N VAL A 78 15.545 -0.108 -15.944 1.00 0.00 N ATOM 1233 CA VAL A 78 14.109 -0.172 -15.682 1.00 0.00 C ATOM 1234 C VAL A 78 13.567 -1.550 -16.072 1.00 0.00 C ATOM 1235 O VAL A 78 12.838 -2.182 -15.309 1.00 0.00 O ATOM 1236 CB VAL A 78 13.375 0.935 -16.467 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.852 0.782 -16.343 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.775 2.299 -15.903 1.00 0.00 C ATOM 0 H VAL A 78 15.822 0.587 -16.638 1.00 0.00 H new ATOM 0 HA VAL A 78 13.936 -0.015 -14.617 1.00 0.00 H new ATOM 0 HB VAL A 78 13.654 0.853 -17.518 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.360 1.575 -16.906 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.550 -0.187 -16.741 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.564 0.849 -15.294 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.259 3.086 -16.454 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.499 2.352 -14.850 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.852 2.432 -16.003 1.00 0.00 H new ATOM 1248 N ASP A 79 13.928 -2.006 -17.270 1.00 0.00 N ATOM 1249 CA ASP A 79 13.467 -3.312 -17.760 1.00 0.00 C ATOM 1250 C ASP A 79 13.734 -4.419 -16.738 1.00 0.00 C ATOM 1251 O ASP A 79 12.862 -5.239 -16.452 1.00 0.00 O ATOM 1252 CB ASP A 79 14.161 -3.671 -19.079 1.00 0.00 C ATOM 1253 CG ASP A 79 15.669 -3.483 -18.939 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.128 -2.369 -19.131 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.343 -4.457 -18.643 1.00 0.00 O ATOM 0 H ASP A 79 14.532 -1.499 -17.917 1.00 0.00 H new ATOM 0 HA ASP A 79 12.392 -3.234 -17.921 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.938 -4.703 -19.349 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.780 -3.042 -19.884 1.00 0.00 H new ATOM 1260 N ASP A 80 14.946 -4.430 -16.192 1.00 0.00 N ATOM 1261 CA ASP A 80 15.312 -5.441 -15.202 1.00 0.00 C ATOM 1262 C ASP A 80 14.601 -5.177 -13.877 1.00 0.00 C ATOM 1263 O ASP A 80 14.164 -6.103 -13.194 1.00 0.00 O ATOM 1264 CB ASP A 80 16.823 -5.435 -14.965 1.00 0.00 C ATOM 1265 CG ASP A 80 17.512 -6.262 -16.045 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.050 -7.361 -16.308 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.491 -5.784 -16.595 1.00 0.00 O ATOM 0 H ASP A 80 15.683 -3.761 -16.413 1.00 0.00 H new ATOM 0 HA ASP A 80 15.008 -6.414 -15.589 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.200 -4.412 -14.980 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.049 -5.844 -13.980 1.00 0.00 H new ATOM 1272 N LEU A 81 14.493 -3.899 -13.523 1.00 0.00 N ATOM 1273 CA LEU A 81 13.839 -3.514 -12.275 1.00 0.00 C ATOM 1274 C LEU A 81 12.353 -3.863 -12.310 1.00 0.00 C ATOM 1275 O LEU A 81 11.797 -4.364 -11.334 1.00 0.00 O ATOM 1276 CB LEU A 81 13.996 -2.011 -12.034 1.00 0.00 C ATOM 1277 CG LEU A 81 14.144 -1.589 -10.571 1.00 0.00 C ATOM 1278 CD1 LEU A 81 15.597 -1.767 -10.130 1.00 0.00 C ATOM 1279 CD2 LEU A 81 13.744 -0.118 -10.423 1.00 0.00 C ATOM 0 H LEU A 81 14.846 -3.119 -14.077 1.00 0.00 H new ATOM 0 HA LEU A 81 14.315 -4.066 -11.464 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.870 -1.662 -12.584 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.129 -1.501 -12.455 1.00 0.00 H new ATOM 0 HG LEU A 81 13.498 -2.208 -9.948 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.700 -1.466 -9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 81 15.884 -2.813 -10.236 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.244 -1.149 -10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.849 0.184 -9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.390 0.499 -11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.708 0.010 -10.736 1.00 0.00 H new ATOM 1291 N VAL A 82 11.712 -3.587 -13.444 1.00 0.00 N ATOM 1292 CA VAL A 82 10.284 -3.870 -13.596 1.00 0.00 C ATOM 1293 C VAL A 82 9.998 -5.359 -13.398 1.00 0.00 C ATOM 1294 O VAL A 82 9.053 -5.736 -12.707 1.00 0.00 O ATOM 1295 CB VAL A 82 9.805 -3.442 -14.992 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.295 -3.672 -15.125 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.110 -1.955 -15.207 1.00 0.00 C ATOM 0 H VAL A 82 12.153 -3.172 -14.265 1.00 0.00 H new ATOM 0 HA VAL A 82 9.746 -3.304 -12.835 1.00 0.00 H new ATOM 0 HB VAL A 82 10.327 -4.037 -15.741 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.966 -3.365 -16.118 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.074 -4.729 -14.980 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.770 -3.085 -14.372 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.770 -1.653 -16.198 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.593 -1.365 -14.450 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.184 -1.789 -15.126 1.00 0.00 H new ATOM 1307 N ALA A 83 10.815 -6.200 -14.024 1.00 0.00 N ATOM 1308 CA ALA A 83 10.631 -7.645 -13.921 1.00 0.00 C ATOM 1309 C ALA A 83 10.797 -8.120 -12.480 1.00 0.00 C ATOM 1310 O ALA A 83 9.989 -8.897 -11.970 1.00 0.00 O ATOM 1311 CB ALA A 83 11.645 -8.376 -14.803 1.00 0.00 C ATOM 0 H ALA A 83 11.604 -5.911 -14.603 1.00 0.00 H new ATOM 0 HA ALA A 83 9.619 -7.871 -14.256 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.495 -9.452 -14.715 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.508 -8.074 -15.841 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.655 -8.123 -14.482 1.00 0.00 H new ATOM 1317 N LYS A 84 11.859 -7.655 -11.832 1.00 0.00 N ATOM 1318 CA LYS A 84 12.135 -8.050 -10.452 1.00 0.00 C ATOM 1319 C LYS A 84 11.204 -7.339 -9.468 1.00 0.00 C ATOM 1320 O LYS A 84 10.964 -7.828 -8.364 1.00 0.00 O ATOM 1321 CB LYS A 84 13.584 -7.719 -10.088 1.00 0.00 C ATOM 1322 CG LYS A 84 14.019 -8.570 -8.892 1.00 0.00 C ATOM 1323 CD LYS A 84 15.543 -8.532 -8.769 1.00 0.00 C ATOM 1324 CE LYS A 84 15.987 -7.141 -8.310 1.00 0.00 C ATOM 1325 NZ LYS A 84 17.294 -6.759 -8.917 1.00 0.00 N ATOM 0 H LYS A 84 12.539 -7.010 -12.234 1.00 0.00 H new ATOM 0 HA LYS A 84 11.966 -9.124 -10.381 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.237 -7.910 -10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.676 -6.660 -9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.560 -8.194 -7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.679 -9.598 -9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.879 -9.285 -8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.001 -8.773 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.229 -6.407 -8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.070 -7.124 -7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.567 -5.812 -8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.022 -7.447 -8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.207 -6.752 -9.953 1.00 0.00 H new ATOM 1339 N CYS A 85 10.692 -6.178 -9.867 1.00 0.00 N ATOM 1340 CA CYS A 85 9.800 -5.415 -8.994 1.00 0.00 C ATOM 1341 C CYS A 85 8.356 -5.875 -9.150 1.00 0.00 C ATOM 1342 O CYS A 85 7.642 -6.067 -8.166 1.00 0.00 O ATOM 1343 CB CYS A 85 9.881 -3.923 -9.315 1.00 0.00 C ATOM 1344 SG CYS A 85 11.421 -3.247 -8.646 1.00 0.00 S ATOM 0 H CYS A 85 10.874 -5.749 -10.774 1.00 0.00 H new ATOM 0 HA CYS A 85 10.122 -5.588 -7.967 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.842 -3.769 -10.393 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.025 -3.401 -8.887 1.00 0.00 H new ATOM 1349 N ALA A 86 7.928 -6.050 -10.398 1.00 0.00 N ATOM 1350 CA ALA A 86 6.558 -6.486 -10.679 1.00 0.00 C ATOM 1351 C ALA A 86 6.433 -8.016 -10.678 1.00 0.00 C ATOM 1352 O ALA A 86 5.668 -8.584 -11.458 1.00 0.00 O ATOM 1353 CB ALA A 86 6.102 -5.950 -12.037 1.00 0.00 C ATOM 0 H ALA A 86 8.503 -5.899 -11.227 1.00 0.00 H new ATOM 0 HA ALA A 86 5.924 -6.089 -9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.082 -6.281 -12.235 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.135 -4.861 -12.028 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.763 -6.326 -12.817 1.00 0.00 H new ATOM 1359 N VAL A 87 7.177 -8.681 -9.795 1.00 0.00 N ATOM 1360 CA VAL A 87 7.119 -10.137 -9.713 1.00 0.00 C ATOM 1361 C VAL A 87 5.721 -10.574 -9.266 1.00 0.00 C ATOM 1362 O VAL A 87 5.124 -9.977 -8.371 1.00 0.00 O ATOM 1363 CB VAL A 87 8.191 -10.649 -8.733 1.00 0.00 C ATOM 1364 CG1 VAL A 87 8.047 -9.929 -7.389 1.00 0.00 C ATOM 1365 CG2 VAL A 87 8.065 -12.172 -8.530 1.00 0.00 C ATOM 0 H VAL A 87 7.818 -8.241 -9.135 1.00 0.00 H new ATOM 0 HA VAL A 87 7.318 -10.565 -10.695 1.00 0.00 H new ATOM 0 HB VAL A 87 9.175 -10.440 -9.154 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.807 -10.293 -6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.174 -8.856 -7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.057 -10.124 -6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.832 -12.511 -7.834 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.080 -12.405 -8.126 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.194 -12.678 -9.487 1.00 0.00 H new ATOM 1375 N LYS A 88 5.208 -11.615 -9.916 1.00 0.00 N ATOM 1376 CA LYS A 88 3.874 -12.125 -9.593 1.00 0.00 C ATOM 1377 C LYS A 88 3.858 -12.791 -8.220 1.00 0.00 C ATOM 1378 O LYS A 88 4.672 -13.667 -7.927 1.00 0.00 O ATOM 1379 CB LYS A 88 3.403 -13.142 -10.638 1.00 0.00 C ATOM 1380 CG LYS A 88 4.509 -14.165 -10.921 1.00 0.00 C ATOM 1381 CD LYS A 88 3.902 -15.566 -11.035 1.00 0.00 C ATOM 1382 CE LYS A 88 4.971 -16.613 -10.722 1.00 0.00 C ATOM 1383 NZ LYS A 88 4.390 -17.986 -10.666 1.00 0.00 N ATOM 0 H LYS A 88 5.688 -12.119 -10.662 1.00 0.00 H new ATOM 0 HA LYS A 88 3.199 -11.269 -9.590 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.509 -13.653 -10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.130 -12.627 -11.559 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.028 -13.907 -11.844 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.250 -14.144 -10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.065 -15.668 -10.345 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.508 -15.722 -12.039 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.751 -16.577 -11.483 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.444 -16.378 -9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.141 -18.672 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.663 -18.025 -9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.960 -18.219 -11.584 1.00 0.00 H new ATOM 1397 N LYS A 89 2.908 -12.370 -7.388 1.00 0.00 N ATOM 1398 CA LYS A 89 2.769 -12.932 -6.045 1.00 0.00 C ATOM 1399 C LYS A 89 1.576 -13.880 -5.999 1.00 0.00 C ATOM 1400 O LYS A 89 1.731 -15.098 -5.897 1.00 0.00 O ATOM 1401 CB LYS A 89 2.564 -11.815 -5.016 1.00 0.00 C ATOM 1402 CG LYS A 89 3.920 -11.365 -4.462 1.00 0.00 C ATOM 1403 CD LYS A 89 4.771 -10.761 -5.587 1.00 0.00 C ATOM 1404 CE LYS A 89 5.880 -11.740 -5.982 1.00 0.00 C ATOM 1405 NZ LYS A 89 7.056 -11.621 -5.073 1.00 0.00 N ATOM 0 H LYS A 89 2.227 -11.646 -7.617 1.00 0.00 H new ATOM 0 HA LYS A 89 3.681 -13.478 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.052 -10.971 -5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.928 -12.168 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.773 -10.630 -3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.440 -12.213 -4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.144 -10.540 -6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.206 -9.817 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.496 -12.760 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.190 -11.547 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.876 -12.097 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.278 -10.616 -4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.835 -12.067 -4.160 1.00 0.00 H new ATOM 1419 N ASP A 90 0.384 -13.302 -6.086 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.848 -14.087 -6.066 1.00 0.00 C ATOM 1421 C ASP A 90 -2.039 -13.177 -6.347 1.00 0.00 C ATOM 1422 O ASP A 90 -2.839 -13.437 -7.245 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.046 -14.797 -4.715 1.00 0.00 C ATOM 1424 CG ASP A 90 -0.703 -13.858 -3.560 1.00 0.00 C ATOM 1425 OD1 ASP A 90 0.468 -13.762 -3.228 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -1.614 -13.252 -3.023 1.00 0.00 O ATOM 0 H ASP A 90 0.243 -12.295 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.773 -14.852 -6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.079 -15.134 -4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.416 -15.685 -4.669 1.00 0.00 H new ATOM 1431 N THR A 91 -2.132 -12.093 -5.582 1.00 0.00 N ATOM 1432 CA THR A 91 -3.210 -11.129 -5.768 1.00 0.00 C ATOM 1433 C THR A 91 -2.691 -9.929 -6.562 1.00 0.00 C ATOM 1434 O THR A 91 -1.533 -9.539 -6.413 1.00 0.00 O ATOM 1435 CB THR A 91 -3.744 -10.649 -4.417 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.685 -10.633 -3.470 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.846 -11.595 -3.936 1.00 0.00 C ATOM 0 H THR A 91 -1.479 -11.862 -4.833 1.00 0.00 H new ATOM 0 HA THR A 91 -4.020 -11.614 -6.313 1.00 0.00 H new ATOM 0 HB THR A 91 -4.152 -9.644 -4.524 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.443 -11.553 -3.235 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.226 -11.252 -2.974 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.658 -11.607 -4.663 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.441 -12.601 -3.828 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.529 -9.329 -7.414 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.119 -8.171 -8.221 1.00 0.00 C ATOM 1447 C PRO A 92 -2.918 -6.916 -7.378 1.00 0.00 C ATOM 1448 O PRO A 92 -1.952 -6.176 -7.564 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.266 -7.984 -9.208 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.451 -8.596 -8.546 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.931 -9.703 -7.673 1.00 0.00 C ATOM 0 HA PRO A 92 -2.158 -8.339 -8.707 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.435 -6.928 -9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.051 -8.471 -10.159 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.989 -7.856 -7.954 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.152 -8.983 -9.286 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.500 -9.781 -6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.000 -10.670 -8.172 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.833 -6.689 -6.440 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.730 -5.521 -5.571 1.00 0.00 C ATOM 1461 C GLN A 93 -2.447 -5.580 -4.737 1.00 0.00 C ATOM 1462 O GLN A 93 -1.958 -4.556 -4.260 1.00 0.00 O ATOM 1463 CB GLN A 93 -4.943 -5.428 -4.638 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.047 -6.697 -3.789 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.515 -7.066 -3.595 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -7.028 -7.029 -2.476 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.227 -7.424 -4.628 1.00 0.00 N ATOM 0 H GLN A 93 -4.641 -7.287 -6.264 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.703 -4.635 -6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -4.850 -4.555 -3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.853 -5.296 -5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.517 -7.516 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.571 -6.539 -2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.802 -7.455 -5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.209 -7.673 -4.509 1.00 0.00 H new ATOM 1476 N HIS A 94 -1.898 -6.786 -4.572 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.667 -6.949 -3.804 1.00 0.00 C ATOM 1478 C HIS A 94 0.517 -6.407 -4.598 1.00 0.00 C ATOM 1479 O HIS A 94 1.180 -5.456 -4.185 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.416 -8.426 -3.488 1.00 0.00 C ATOM 1481 CG HIS A 94 0.651 -8.537 -2.434 1.00 0.00 C ATOM 1482 ND1 HIS A 94 0.416 -9.136 -1.207 1.00 0.00 N ATOM 1483 CD2 HIS A 94 1.961 -8.128 -2.410 1.00 0.00 C ATOM 1484 CE1 HIS A 94 1.560 -9.073 -0.501 1.00 0.00 C ATOM 1485 NE2 HIS A 94 2.534 -8.467 -1.188 1.00 0.00 N ATOM 0 H HIS A 94 -2.281 -7.650 -4.954 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.775 -6.396 -2.871 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.336 -8.896 -3.141 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.108 -8.955 -4.390 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.469 -7.621 -3.216 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.677 -9.464 0.499 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.491 -8.291 -0.882 1.00 0.00 H new ATOM 1493 N SER A 95 0.769 -7.028 -5.752 1.00 0.00 N ATOM 1494 CA SER A 95 1.873 -6.617 -6.628 1.00 0.00 C ATOM 1495 C SER A 95 1.882 -5.101 -6.842 1.00 0.00 C ATOM 1496 O SER A 95 2.938 -4.479 -6.937 1.00 0.00 O ATOM 1497 CB SER A 95 1.753 -7.304 -7.988 1.00 0.00 C ATOM 1498 OG SER A 95 0.523 -6.931 -8.595 1.00 0.00 O ATOM 0 H SER A 95 0.226 -7.817 -6.103 1.00 0.00 H new ATOM 0 HA SER A 95 2.802 -6.911 -6.140 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.589 -7.019 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.799 -8.386 -7.867 1.00 0.00 H new ATOM 0 HG SER A 95 -0.147 -6.761 -7.900 1.00 0.00 H new ATOM 1504 N SER A 96 0.685 -4.519 -6.923 1.00 0.00 N ATOM 1505 CA SER A 96 0.553 -3.077 -7.136 1.00 0.00 C ATOM 1506 C SER A 96 1.293 -2.290 -6.055 1.00 0.00 C ATOM 1507 O SER A 96 1.837 -1.217 -6.315 1.00 0.00 O ATOM 1508 CB SER A 96 -0.922 -2.668 -7.124 1.00 0.00 C ATOM 1509 OG SER A 96 -1.404 -2.680 -5.788 1.00 0.00 O ATOM 0 H SER A 96 -0.201 -5.019 -6.845 1.00 0.00 H new ATOM 0 HA SER A 96 0.992 -2.848 -8.107 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.039 -1.674 -7.555 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.506 -3.353 -7.739 1.00 0.00 H new ATOM 0 HG SER A 96 -1.161 -3.528 -5.360 1.00 0.00 H new ATOM 1515 N ALA A 97 1.304 -2.832 -4.840 1.00 0.00 N ATOM 1516 CA ALA A 97 1.979 -2.169 -3.726 1.00 0.00 C ATOM 1517 C ALA A 97 3.465 -1.993 -4.027 1.00 0.00 C ATOM 1518 O ALA A 97 3.942 -0.876 -4.224 1.00 0.00 O ATOM 1519 CB ALA A 97 1.814 -2.977 -2.438 1.00 0.00 C ATOM 0 H ALA A 97 0.859 -3.718 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 97 1.522 -1.188 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.324 -2.467 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.754 -3.072 -2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.246 -3.968 -2.573 1.00 0.00 H new ATOM 1525 N ASP A 98 4.193 -3.108 -4.073 1.00 0.00 N ATOM 1526 CA ASP A 98 5.625 -3.060 -4.365 1.00 0.00 C ATOM 1527 C ASP A 98 5.859 -2.447 -5.743 1.00 0.00 C ATOM 1528 O ASP A 98 6.861 -1.771 -5.980 1.00 0.00 O ATOM 1529 CB ASP A 98 6.226 -4.468 -4.336 1.00 0.00 C ATOM 1530 CG ASP A 98 6.246 -4.982 -2.901 1.00 0.00 C ATOM 1531 OD1 ASP A 98 5.186 -5.316 -2.397 1.00 0.00 O ATOM 1532 OD2 ASP A 98 7.321 -5.035 -2.326 1.00 0.00 O ATOM 0 H ASP A 98 3.821 -4.044 -3.914 1.00 0.00 H new ATOM 0 HA ASP A 98 6.107 -2.447 -3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.640 -5.138 -4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.237 -4.452 -4.742 1.00 0.00 H new ATOM 1537 N PHE A 99 4.914 -2.690 -6.644 1.00 0.00 N ATOM 1538 CA PHE A 99 4.997 -2.162 -8.000 1.00 0.00 C ATOM 1539 C PHE A 99 5.003 -0.630 -7.983 1.00 0.00 C ATOM 1540 O PHE A 99 5.525 0.009 -8.897 1.00 0.00 O ATOM 1541 CB PHE A 99 3.802 -2.671 -8.821 1.00 0.00 C ATOM 1542 CG PHE A 99 3.850 -2.137 -10.236 1.00 0.00 C ATOM 1543 CD1 PHE A 99 5.035 -2.201 -10.977 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.698 -1.583 -10.803 1.00 0.00 C ATOM 1545 CE1 PHE A 99 5.069 -1.707 -12.284 1.00 0.00 C ATOM 1546 CE2 PHE A 99 2.729 -1.089 -12.110 1.00 0.00 C ATOM 1547 CZ PHE A 99 3.915 -1.151 -12.852 1.00 0.00 C ATOM 0 H PHE A 99 4.081 -3.250 -6.460 1.00 0.00 H new ATOM 0 HA PHE A 99 5.926 -2.505 -8.455 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.807 -3.761 -8.839 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.871 -2.364 -8.344 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.923 -2.632 -10.539 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.783 -1.537 -10.230 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.984 -1.754 -12.856 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.839 -0.660 -12.547 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.940 -0.770 -13.862 1.00 0.00 H new ATOM 1557 N PHE A 100 4.408 -0.048 -6.943 1.00 0.00 N ATOM 1558 CA PHE A 100 4.348 1.409 -6.833 1.00 0.00 C ATOM 1559 C PHE A 100 5.317 1.914 -5.760 1.00 0.00 C ATOM 1560 O PHE A 100 4.972 2.756 -4.931 1.00 0.00 O ATOM 1561 CB PHE A 100 2.923 1.853 -6.484 1.00 0.00 C ATOM 1562 CG PHE A 100 2.828 3.360 -6.551 1.00 0.00 C ATOM 1563 CD1 PHE A 100 3.089 4.028 -7.753 1.00 0.00 C ATOM 1564 CD2 PHE A 100 2.479 4.089 -5.407 1.00 0.00 C ATOM 1565 CE1 PHE A 100 3.001 5.424 -7.813 1.00 0.00 C ATOM 1566 CE2 PHE A 100 2.390 5.485 -5.467 1.00 0.00 C ATOM 1567 CZ PHE A 100 2.651 6.152 -6.671 1.00 0.00 C ATOM 0 H PHE A 100 3.967 -0.554 -6.175 1.00 0.00 H new ATOM 0 HA PHE A 100 4.636 1.834 -7.794 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.212 1.403 -7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.658 1.506 -5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.359 3.466 -8.635 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.279 3.574 -4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.203 5.939 -8.741 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.120 6.047 -4.585 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.582 7.229 -6.717 1.00 0.00 H new ATOM 1577 N LYS A 101 6.540 1.397 -5.800 1.00 0.00 N ATOM 1578 CA LYS A 101 7.565 1.804 -4.844 1.00 0.00 C ATOM 1579 C LYS A 101 8.894 1.154 -5.204 1.00 0.00 C ATOM 1580 O LYS A 101 9.941 1.800 -5.197 1.00 0.00 O ATOM 1581 CB LYS A 101 7.176 1.415 -3.415 1.00 0.00 C ATOM 1582 CG LYS A 101 6.833 -0.074 -3.355 1.00 0.00 C ATOM 1583 CD LYS A 101 6.269 -0.411 -1.970 1.00 0.00 C ATOM 1584 CE LYS A 101 4.943 0.328 -1.751 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.938 -0.547 -1.083 1.00 0.00 N ATOM 0 H LYS A 101 6.845 0.700 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 101 7.659 2.889 -4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.997 1.636 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.322 2.007 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.104 -0.322 -4.127 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.723 -0.672 -3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.114 -1.486 -1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.985 -0.128 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.116 1.216 -1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.552 0.669 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.009 -0.412 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.226 -1.542 -1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.877 -0.299 -0.075 1.00 0.00 H new ATOM 1599 N CYS A 102 8.835 -0.135 -5.537 1.00 0.00 N ATOM 1600 CA CYS A 102 10.035 -0.880 -5.927 1.00 0.00 C ATOM 1601 C CYS A 102 10.766 -0.157 -7.060 1.00 0.00 C ATOM 1602 O CYS A 102 11.993 -0.193 -7.155 1.00 0.00 O ATOM 1603 CB CYS A 102 9.655 -2.287 -6.392 1.00 0.00 C ATOM 1604 SG CYS A 102 11.150 -3.275 -6.645 1.00 0.00 S ATOM 0 H CYS A 102 7.975 -0.684 -5.545 1.00 0.00 H new ATOM 0 HA CYS A 102 10.692 -0.948 -5.060 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.014 -2.764 -5.651 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.084 -2.232 -7.319 1.00 0.00 H new ATOM 1609 N VAL A 103 9.986 0.503 -7.913 1.00 0.00 N ATOM 1610 CA VAL A 103 10.549 1.243 -9.038 1.00 0.00 C ATOM 1611 C VAL A 103 11.181 2.551 -8.558 1.00 0.00 C ATOM 1612 O VAL A 103 12.106 3.071 -9.182 1.00 0.00 O ATOM 1613 CB VAL A 103 9.461 1.559 -10.067 1.00 0.00 C ATOM 1614 CG1 VAL A 103 8.957 0.257 -10.693 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.296 2.275 -9.378 1.00 0.00 C ATOM 0 H VAL A 103 8.969 0.540 -7.847 1.00 0.00 H new ATOM 0 HA VAL A 103 11.316 0.621 -9.500 1.00 0.00 H new ATOM 0 HB VAL A 103 9.874 2.202 -10.844 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.182 0.482 -11.426 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.784 -0.254 -11.185 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.545 -0.385 -9.915 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.522 2.500 -10.112 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.883 1.633 -8.600 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.652 3.203 -8.931 1.00 0.00 H new ATOM 1625 N HIS A 104 10.672 3.077 -7.444 1.00 0.00 N ATOM 1626 CA HIS A 104 11.198 4.326 -6.893 1.00 0.00 C ATOM 1627 C HIS A 104 12.280 4.060 -5.842 1.00 0.00 C ATOM 1628 O HIS A 104 12.587 4.927 -5.025 1.00 0.00 O ATOM 1629 CB HIS A 104 10.074 5.136 -6.243 1.00 0.00 C ATOM 1630 CG HIS A 104 9.056 5.512 -7.283 1.00 0.00 C ATOM 1631 ND1 HIS A 104 7.851 4.840 -7.416 1.00 0.00 N ATOM 1632 CD2 HIS A 104 9.047 6.491 -8.246 1.00 0.00 C ATOM 1633 CE1 HIS A 104 7.173 5.419 -8.424 1.00 0.00 C ATOM 1634 NE2 HIS A 104 7.857 6.431 -8.965 1.00 0.00 N ATOM 0 H HIS A 104 9.906 2.664 -6.911 1.00 0.00 H new ATOM 0 HA HIS A 104 11.634 4.887 -7.720 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.602 4.553 -5.452 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.481 6.033 -5.777 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.843 7.200 -8.419 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.195 5.104 -8.755 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.569 7.030 -9.738 1.00 0.00 H new ATOM 1642 N ASP A 105 12.859 2.858 -5.867 1.00 0.00 N ATOM 1643 CA ASP A 105 13.903 2.513 -4.906 1.00 0.00 C ATOM 1644 C ASP A 105 15.140 1.982 -5.633 1.00 0.00 C ATOM 1645 O ASP A 105 15.564 0.844 -5.431 1.00 0.00 O ATOM 1646 CB ASP A 105 13.396 1.454 -3.921 1.00 0.00 C ATOM 1647 CG ASP A 105 12.421 2.096 -2.941 1.00 0.00 C ATOM 1648 OD1 ASP A 105 12.868 2.870 -2.112 1.00 0.00 O ATOM 1649 OD2 ASP A 105 11.240 1.803 -3.034 1.00 0.00 O ATOM 0 H ASP A 105 12.627 2.120 -6.531 1.00 0.00 H new ATOM 0 HA ASP A 105 14.170 3.415 -4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.905 0.645 -4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.234 1.014 -3.381 1.00 0.00 H new ATOM 1654 N ASN A 106 15.711 2.827 -6.485 1.00 0.00 N ATOM 1655 CA ASN A 106 16.898 2.442 -7.244 1.00 0.00 C ATOM 1656 C ASN A 106 18.163 2.829 -6.486 1.00 0.00 C ATOM 1657 O ASN A 106 18.385 3.999 -6.175 1.00 0.00 O ATOM 1658 CB ASN A 106 16.905 3.131 -8.610 1.00 0.00 C ATOM 1659 CG ASN A 106 16.038 2.339 -9.583 1.00 0.00 C ATOM 1660 OD1 ASN A 106 16.074 1.109 -9.597 1.00 0.00 O ATOM 1661 ND2 ASN A 106 15.253 2.978 -10.405 1.00 0.00 N ATOM 0 H ASN A 106 15.377 3.773 -6.667 1.00 0.00 H new ATOM 0 HA ASN A 106 16.874 1.361 -7.382 1.00 0.00 H new ATOM 0 HB2 ASN A 106 16.529 4.150 -8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 106 17.925 3.201 -8.989 1.00 0.00 H new ATOM 0 HD21 ASN A 106 14.669 2.458 -11.060 1.00 0.00 H new ATOM 0 HD22 ASN A 106 15.223 3.998 -10.393 1.00 0.00 H new ATOM 1668 N ARG A 107 18.991 1.831 -6.192 1.00 0.00 N ATOM 1669 CA ARG A 107 20.236 2.073 -5.469 1.00 0.00 C ATOM 1670 C ARG A 107 21.320 2.559 -6.426 1.00 0.00 C ATOM 1671 O ARG A 107 21.753 3.710 -6.363 1.00 0.00 O ATOM 1672 CB ARG A 107 20.714 0.793 -4.780 1.00 0.00 C ATOM 1673 CG ARG A 107 20.140 0.731 -3.364 1.00 0.00 C ATOM 1674 CD ARG A 107 21.035 -0.148 -2.488 1.00 0.00 C ATOM 1675 NE ARG A 107 20.926 0.243 -1.085 1.00 0.00 N ATOM 1676 CZ ARG A 107 21.494 -0.483 -0.126 1.00 0.00 C ATOM 1677 NH1 ARG A 107 21.078 -1.698 0.104 1.00 0.00 N ATOM 1678 NH2 ARG A 107 22.465 0.021 0.586 1.00 0.00 N ATOM 0 H ARG A 107 18.825 0.856 -6.440 1.00 0.00 H new ATOM 0 HA ARG A 107 20.046 2.838 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 107 20.397 -0.080 -5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 107 21.803 0.772 -4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 107 20.074 1.734 -2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 107 19.128 0.328 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 107 20.751 -1.194 -2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 107 22.071 -0.062 -2.816 1.00 0.00 H new ATOM 0 HE ARG A 107 20.407 1.085 -0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 107 20.318 -2.090 -0.451 1.00 0.00 H new ATOM 0 HH12 ARG A 107 21.513 -2.255 0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 107 22.788 0.972 0.407 1.00 0.00 H new ATOM 0 HH22 ARG A 107 22.900 -0.536 1.321 1.00 0.00 H new ATOM 1692 N SER A 108 21.752 1.667 -7.313 1.00 0.00 N ATOM 1693 CA SER A 108 22.787 2.012 -8.283 1.00 0.00 C ATOM 1694 C SER A 108 22.171 2.703 -9.495 1.00 0.00 C ATOM 1695 O SER A 108 22.912 3.018 -10.412 1.00 0.00 O ATOM 1696 CB SER A 108 23.526 0.757 -8.747 1.00 0.00 C ATOM 1697 OG SER A 108 24.828 1.116 -9.191 1.00 0.00 O ATOM 1698 OXT SER A 108 20.969 2.908 -9.489 1.00 0.00 O ATOM 0 H SER A 108 21.406 0.710 -7.381 1.00 0.00 H new ATOM 0 HA SER A 108 23.491 2.688 -7.798 1.00 0.00 H new ATOM 0 HB2 SER A 108 23.593 0.038 -7.931 1.00 0.00 H new ATOM 0 HB3 SER A 108 22.975 0.274 -9.553 1.00 0.00 H new ATOM 0 HG SER A 108 24.767 1.883 -9.797 1.00 0.00 H new TER 1704 SER A 108