USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 569 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 39 ASN : amide:sc= -11.8! C(o=-17!,f=-17!) USER MOD Set 1.2: A 68 TYR OH : rot -152:sc= -5.34! USER MOD Set 2.1: A 54 ASN : amide:sc= -1.21 K(o=-1.2,f=-4.4!) USER MOD Set 2.2: A 58 SER OG : rot -150:sc= 0.0456 USER MOD Set 3.1: A 34 SER OG : rot 149:sc= 0.554 USER MOD Set 3.2: A 41 TYR OH : rot 180:sc= -1.27! USER MOD Set 4.1: A 15 SER OG : rot -98:sc= 0.23 USER MOD Set 4.2: A 18 HIS : no HE2:sc= -6.41! C(o=-6.2!,f=-8.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= -0.547! (180deg=-1.97!) USER MOD Single : A 2 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00292) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 129:sc= 0.578 USER MOD Single : A 11 ASN : amide:sc= -3.76! C(o=-3.8!,f=-2.1!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -59:sc= 0.519 USER MOD Single : A 19 TYR OH : rot 155:sc= -2.1 USER MOD Single : A 23 SER OG : rot -176:sc= -4.29! USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.0931 (180deg=-0.742) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc=-0.00526 (180deg=-0.491) USER MOD Single : A 36 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.66) USER MOD Single : A 38 HIS : no HD1:sc= -0.0711 X(o=-0.071,f=-0.44) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 160:sc= -0.511 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -162:sc=-0.00695 (180deg=-0.459) USER MOD Single : A 60 GLN : amide:sc= -4.51! C(o=-4.5!,f=-4.9!) USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= -0.0459 (180deg=-0.416) USER MOD Single : A 67 CYS SG : rot 25:sc= -2.65! USER MOD Single : A 72 MET CE :methyl 168:sc= -0.49 (180deg=-1.21) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.100 -9.577 -21.547 1.00 0.00 N ATOM 2 CA MET A 1 -6.985 -10.627 -22.585 1.00 0.00 C ATOM 3 C MET A 1 -6.725 -11.982 -21.931 1.00 0.00 C ATOM 4 O MET A 1 -7.200 -12.999 -22.394 1.00 0.00 O ATOM 5 CB MET A 1 -5.816 -10.295 -23.539 1.00 0.00 C ATOM 6 CG MET A 1 -4.641 -9.747 -22.724 1.00 0.00 C ATOM 7 SD MET A 1 -4.822 -8.092 -22.013 1.00 0.00 S ATOM 8 CE MET A 1 -3.104 -7.882 -21.484 1.00 0.00 C ATOM 0 H1 MET A 1 -8.019 -9.098 -21.638 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.028 -10.011 -20.605 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.335 -8.884 -21.668 1.00 0.00 H new ATOM 0 HA MET A 1 -7.918 -10.667 -23.147 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.511 -11.188 -24.084 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.133 -9.562 -24.281 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.442 -10.444 -21.910 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.759 -9.744 -23.364 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.986 -6.908 -21.009 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.844 -8.666 -20.773 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.446 -7.945 -22.351 1.00 0.00 H new ATOM 20 N LYS A 2 -5.971 -11.969 -20.862 1.00 0.00 N ATOM 21 CA LYS A 2 -5.668 -13.248 -20.162 1.00 0.00 C ATOM 22 C LYS A 2 -6.810 -13.638 -19.231 1.00 0.00 C ATOM 23 O LYS A 2 -7.358 -12.808 -18.534 1.00 0.00 O ATOM 24 CB LYS A 2 -4.390 -13.047 -19.320 1.00 0.00 C ATOM 25 CG LYS A 2 -3.876 -14.420 -18.815 1.00 0.00 C ATOM 26 CD LYS A 2 -2.967 -15.073 -19.887 1.00 0.00 C ATOM 27 CE LYS A 2 -1.525 -14.563 -19.728 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.835 -15.291 -18.625 1.00 0.00 N ATOM 0 H LYS A 2 -5.556 -11.134 -20.448 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.534 -14.038 -20.901 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.622 -12.558 -19.919 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.599 -12.393 -18.474 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.321 -14.290 -17.886 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.719 -15.074 -18.594 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.992 -16.158 -19.786 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.338 -14.837 -20.884 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.979 -14.701 -20.661 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.532 -13.493 -19.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.058 -14.706 -18.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.513 -15.488 -17.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.451 -16.187 -18.987 1.00 0.00 H new ATOM 42 N GLU A 3 -7.149 -14.899 -19.236 1.00 0.00 N ATOM 43 CA GLU A 3 -8.252 -15.359 -18.359 1.00 0.00 C ATOM 44 C GLU A 3 -7.952 -15.035 -16.901 1.00 0.00 C ATOM 45 O GLU A 3 -6.812 -14.859 -16.529 1.00 0.00 O ATOM 46 CB GLU A 3 -8.392 -16.882 -18.511 1.00 0.00 C ATOM 47 CG GLU A 3 -9.028 -17.195 -19.867 1.00 0.00 C ATOM 48 CD GLU A 3 -9.352 -18.688 -19.943 1.00 0.00 C ATOM 49 OE1 GLU A 3 -9.356 -19.294 -18.884 1.00 0.00 O ATOM 50 OE2 GLU A 3 -9.577 -19.137 -21.054 1.00 0.00 O ATOM 0 H GLU A 3 -6.711 -15.622 -19.806 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.173 -14.852 -18.648 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.415 -17.359 -18.435 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.006 -17.285 -17.706 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.936 -16.607 -20.000 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.348 -16.918 -20.673 1.00 0.00 H new ATOM 57 N THR A 4 -8.993 -14.965 -16.106 1.00 0.00 N ATOM 58 CA THR A 4 -8.812 -14.653 -14.659 1.00 0.00 C ATOM 59 C THR A 4 -8.090 -13.330 -14.457 1.00 0.00 C ATOM 60 O THR A 4 -7.046 -13.095 -15.021 1.00 0.00 O ATOM 61 CB THR A 4 -7.974 -15.770 -14.003 1.00 0.00 C ATOM 62 OG1 THR A 4 -8.702 -16.961 -14.218 1.00 0.00 O ATOM 63 CG2 THR A 4 -7.944 -15.607 -12.471 1.00 0.00 C ATOM 0 H THR A 4 -9.959 -15.111 -16.400 1.00 0.00 H new ATOM 0 HA THR A 4 -9.800 -14.583 -14.205 1.00 0.00 H new ATOM 0 HB THR A 4 -6.962 -15.757 -14.409 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.218 -17.716 -13.823 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.347 -16.406 -12.032 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.503 -14.643 -12.216 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.960 -15.656 -12.080 1.00 0.00 H new ATOM 71 N ARG A 5 -8.678 -12.472 -13.669 1.00 0.00 N ATOM 72 CA ARG A 5 -8.040 -11.151 -13.409 1.00 0.00 C ATOM 73 C ARG A 5 -7.258 -11.239 -12.131 1.00 0.00 C ATOM 74 O ARG A 5 -7.292 -12.248 -11.456 1.00 0.00 O ATOM 75 CB ARG A 5 -9.128 -10.093 -13.265 1.00 0.00 C ATOM 76 CG ARG A 5 -10.127 -10.238 -14.425 1.00 0.00 C ATOM 77 CD ARG A 5 -9.390 -10.088 -15.777 1.00 0.00 C ATOM 78 NE ARG A 5 -8.966 -11.442 -16.248 1.00 0.00 N ATOM 79 CZ ARG A 5 -9.811 -12.190 -16.909 1.00 0.00 C ATOM 80 NH1 ARG A 5 -9.893 -12.055 -18.205 1.00 0.00 N ATOM 81 NH2 ARG A 5 -10.548 -13.043 -16.252 1.00 0.00 N ATOM 0 H ARG A 5 -9.568 -12.628 -13.196 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.378 -10.883 -14.232 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.641 -10.209 -12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.687 -9.096 -13.271 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.618 -11.210 -14.374 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.908 -9.482 -14.341 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.044 -9.620 -16.513 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.522 -9.439 -15.663 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.023 -11.780 -16.055 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.304 -11.375 -18.685 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.546 -12.630 -18.737 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.460 -13.119 -15.239 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.212 -13.634 -16.752 1.00 0.00 H new ATOM 95 N TYR A 6 -6.577 -10.190 -11.791 1.00 0.00 N ATOM 96 CA TYR A 6 -5.775 -10.227 -10.530 1.00 0.00 C ATOM 97 C TYR A 6 -5.555 -8.819 -9.949 1.00 0.00 C ATOM 98 O TYR A 6 -5.913 -7.832 -10.560 1.00 0.00 O ATOM 99 CB TYR A 6 -4.398 -10.860 -10.875 1.00 0.00 C ATOM 100 CG TYR A 6 -4.560 -11.918 -11.974 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.886 -13.217 -11.646 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.368 -11.591 -13.301 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.014 -14.173 -12.625 1.00 0.00 C ATOM 104 CE2 TYR A 6 -4.492 -12.553 -14.282 1.00 0.00 C ATOM 105 CZ TYR A 6 -4.815 -13.850 -13.951 1.00 0.00 C ATOM 106 OH TYR A 6 -4.932 -14.813 -14.932 1.00 0.00 O ATOM 0 H TYR A 6 -6.535 -9.317 -12.317 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.312 -10.808 -9.780 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.706 -10.085 -11.206 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.965 -11.315 -9.984 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.042 -13.485 -10.612 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.119 -10.576 -13.573 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.273 -15.186 -12.354 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.335 -12.287 -15.317 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.534 -14.492 -15.636 1.00 0.00 H new ATOM 116 N CYS A 7 -4.959 -8.755 -8.761 1.00 0.00 N ATOM 117 CA CYS A 7 -4.714 -7.437 -8.139 1.00 0.00 C ATOM 118 C CYS A 7 -4.124 -6.478 -9.146 1.00 0.00 C ATOM 119 O CYS A 7 -3.071 -6.717 -9.702 1.00 0.00 O ATOM 120 CB CYS A 7 -3.732 -7.593 -6.962 1.00 0.00 C ATOM 121 SG CYS A 7 -3.203 -6.062 -6.161 1.00 0.00 S ATOM 0 H CYS A 7 -4.644 -9.560 -8.220 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.665 -7.042 -7.782 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.196 -8.231 -6.210 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.846 -8.116 -7.321 1.00 0.00 H new ATOM 126 N ALA A 8 -4.813 -5.408 -9.363 1.00 0.00 N ATOM 127 CA ALA A 8 -4.325 -4.409 -10.330 1.00 0.00 C ATOM 128 C ALA A 8 -3.080 -3.692 -9.824 1.00 0.00 C ATOM 129 O ALA A 8 -2.550 -2.841 -10.510 1.00 0.00 O ATOM 130 CB ALA A 8 -5.424 -3.352 -10.498 1.00 0.00 C ATOM 0 H ALA A 8 -5.698 -5.181 -8.910 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.081 -4.920 -11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.095 -2.595 -11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.332 -3.827 -10.868 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.627 -2.882 -9.536 1.00 0.00 H new ATOM 136 N VAL A 9 -2.621 -4.038 -8.625 1.00 0.00 N ATOM 137 CA VAL A 9 -1.378 -3.333 -8.086 1.00 0.00 C ATOM 138 C VAL A 9 -0.266 -4.201 -7.468 1.00 0.00 C ATOM 139 O VAL A 9 0.865 -4.122 -7.909 1.00 0.00 O ATOM 140 CB VAL A 9 -1.838 -2.394 -6.968 1.00 0.00 C ATOM 141 CG1 VAL A 9 -0.656 -1.520 -6.519 1.00 0.00 C ATOM 142 CG2 VAL A 9 -2.960 -1.513 -7.481 1.00 0.00 C ATOM 0 H VAL A 9 -3.030 -4.747 -8.016 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.935 -2.868 -8.966 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.197 -2.979 -6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.981 -0.850 -5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.149 -2.157 -6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.297 -0.932 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.289 -0.843 -6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.603 -0.925 -8.327 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.795 -2.136 -7.799 1.00 0.00 H new ATOM 152 N CYS A 10 -0.583 -5.014 -6.469 1.00 0.00 N ATOM 153 CA CYS A 10 0.520 -5.863 -5.833 1.00 0.00 C ATOM 154 C CYS A 10 0.328 -7.391 -5.675 1.00 0.00 C ATOM 155 O CYS A 10 1.212 -8.140 -6.041 1.00 0.00 O ATOM 156 CB CYS A 10 0.646 -5.331 -4.410 1.00 0.00 C ATOM 157 SG CYS A 10 -0.603 -5.911 -3.217 1.00 0.00 S ATOM 0 H CYS A 10 -1.516 -5.130 -6.074 1.00 0.00 H new ATOM 0 HA CYS A 10 1.363 -5.771 -6.518 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.632 -5.599 -4.031 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.604 -4.242 -4.447 1.00 0.00 H new ATOM 162 N ASN A 11 -0.786 -7.855 -5.153 1.00 0.00 N ATOM 163 CA ASN A 11 -0.923 -9.311 -5.000 1.00 0.00 C ATOM 164 C ASN A 11 -1.257 -10.005 -6.283 1.00 0.00 C ATOM 165 O ASN A 11 -0.435 -10.111 -7.171 1.00 0.00 O ATOM 166 CB ASN A 11 -2.031 -9.572 -3.957 1.00 0.00 C ATOM 167 CG ASN A 11 -2.235 -11.079 -3.794 1.00 0.00 C ATOM 168 OD1 ASN A 11 -3.260 -11.531 -3.323 1.00 0.00 O ATOM 169 ND2 ASN A 11 -1.286 -11.891 -4.171 1.00 0.00 N ATOM 0 H ASN A 11 -1.577 -7.293 -4.839 1.00 0.00 H new ATOM 0 HA ASN A 11 0.036 -9.715 -4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.757 -9.126 -3.001 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.961 -9.101 -4.274 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.407 -12.899 -4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.423 -11.518 -4.567 1.00 0.00 H new ATOM 176 N ASP A 12 -2.453 -10.435 -6.369 1.00 0.00 N ATOM 177 CA ASP A 12 -2.891 -11.136 -7.576 1.00 0.00 C ATOM 178 C ASP A 12 -4.378 -11.455 -7.472 1.00 0.00 C ATOM 179 O ASP A 12 -5.167 -10.591 -7.152 1.00 0.00 O ATOM 180 CB ASP A 12 -2.096 -12.467 -7.701 1.00 0.00 C ATOM 181 CG ASP A 12 -2.214 -12.993 -9.133 1.00 0.00 C ATOM 182 OD1 ASP A 12 -1.536 -12.427 -9.975 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.974 -13.928 -9.307 1.00 0.00 O ATOM 0 H ASP A 12 -3.163 -10.332 -5.644 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.714 -10.507 -8.449 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.049 -12.304 -7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.484 -13.204 -6.997 1.00 0.00 H new ATOM 188 N TYR A 13 -4.743 -12.712 -7.715 1.00 0.00 N ATOM 189 CA TYR A 13 -6.188 -13.082 -7.630 1.00 0.00 C ATOM 190 C TYR A 13 -6.880 -12.336 -6.496 1.00 0.00 C ATOM 191 O TYR A 13 -6.773 -12.694 -5.340 1.00 0.00 O ATOM 192 CB TYR A 13 -6.341 -14.578 -7.373 1.00 0.00 C ATOM 193 CG TYR A 13 -5.374 -15.390 -8.249 1.00 0.00 C ATOM 194 CD1 TYR A 13 -4.114 -15.703 -7.783 1.00 0.00 C ATOM 195 CD2 TYR A 13 -5.772 -15.884 -9.483 1.00 0.00 C ATOM 196 CE1 TYR A 13 -3.268 -16.501 -8.527 1.00 0.00 C ATOM 197 CE2 TYR A 13 -4.927 -16.685 -10.221 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.668 -16.997 -9.752 1.00 0.00 C ATOM 199 OH TYR A 13 -2.822 -17.792 -10.495 1.00 0.00 O ATOM 0 H TYR A 13 -4.108 -13.471 -7.962 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.647 -12.812 -8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.150 -14.791 -6.321 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.367 -14.883 -7.579 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.786 -15.320 -6.828 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.751 -15.639 -9.868 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.285 -16.739 -8.148 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.254 -17.072 -11.175 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.266 -18.053 -11.329 1.00 0.00 H new ATOM 209 N ALA A 14 -7.565 -11.327 -6.869 1.00 0.00 N ATOM 210 CA ALA A 14 -8.288 -10.506 -5.877 1.00 0.00 C ATOM 211 C ALA A 14 -9.474 -11.269 -5.300 1.00 0.00 C ATOM 212 O ALA A 14 -10.106 -12.049 -5.985 1.00 0.00 O ATOM 213 CB ALA A 14 -8.783 -9.249 -6.607 1.00 0.00 C ATOM 0 H ALA A 14 -7.664 -11.020 -7.837 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.629 -10.249 -5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.325 -8.612 -5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.930 -8.703 -7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.446 -9.539 -7.422 1.00 0.00 H new ATOM 219 N SER A 15 -9.754 -11.032 -4.039 1.00 0.00 N ATOM 220 CA SER A 15 -10.896 -11.735 -3.394 1.00 0.00 C ATOM 221 C SER A 15 -12.112 -11.783 -4.329 1.00 0.00 C ATOM 222 O SER A 15 -12.839 -12.757 -4.344 1.00 0.00 O ATOM 223 CB SER A 15 -11.256 -10.983 -2.086 1.00 0.00 C ATOM 224 OG SER A 15 -12.653 -11.196 -1.905 1.00 0.00 O ATOM 0 H SER A 15 -9.242 -10.386 -3.438 1.00 0.00 H new ATOM 0 HA SER A 15 -10.611 -12.763 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.686 -11.369 -1.241 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.027 -9.920 -2.167 1.00 0.00 H new ATOM 0 HG SER A 15 -13.148 -10.416 -2.231 1.00 0.00 H new ATOM 230 N GLY A 16 -12.314 -10.729 -5.094 1.00 0.00 N ATOM 231 CA GLY A 16 -13.490 -10.717 -6.036 1.00 0.00 C ATOM 232 C GLY A 16 -14.152 -9.345 -6.116 1.00 0.00 C ATOM 233 O GLY A 16 -15.259 -9.160 -5.659 1.00 0.00 O ATOM 0 H GLY A 16 -11.730 -9.893 -5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.160 -11.017 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.223 -11.454 -5.708 1.00 0.00 H new ATOM 237 N TYR A 17 -13.460 -8.431 -6.727 1.00 0.00 N ATOM 238 CA TYR A 17 -13.996 -7.036 -6.880 1.00 0.00 C ATOM 239 C TYR A 17 -14.465 -6.432 -5.543 1.00 0.00 C ATOM 240 O TYR A 17 -15.198 -7.042 -4.796 1.00 0.00 O ATOM 241 CB TYR A 17 -15.206 -7.088 -7.883 1.00 0.00 C ATOM 242 CG TYR A 17 -14.949 -6.143 -9.072 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.900 -6.381 -9.930 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.767 -5.055 -9.300 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.668 -5.548 -11.005 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.536 -4.218 -10.374 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.485 -4.461 -11.237 1.00 0.00 C ATOM 248 OH TYR A 17 -14.265 -3.639 -12.321 1.00 0.00 O ATOM 0 H TYR A 17 -12.537 -8.582 -7.134 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.194 -6.399 -7.252 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.347 -8.107 -8.242 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.125 -6.800 -7.372 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.252 -7.228 -9.760 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.594 -4.857 -8.634 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.841 -5.748 -11.670 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.181 -3.368 -10.540 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.365 -3.256 -12.264 1.00 0.00 H new ATOM 258 N HIS A 18 -14.046 -5.220 -5.295 1.00 0.00 N ATOM 259 CA HIS A 18 -14.442 -4.537 -4.026 1.00 0.00 C ATOM 260 C HIS A 18 -14.565 -3.054 -4.274 1.00 0.00 C ATOM 261 O HIS A 18 -15.268 -2.345 -3.583 1.00 0.00 O ATOM 262 CB HIS A 18 -13.332 -4.772 -2.971 1.00 0.00 C ATOM 263 CG HIS A 18 -12.795 -6.184 -3.118 1.00 0.00 C ATOM 264 ND1 HIS A 18 -11.629 -6.482 -3.479 1.00 0.00 N ATOM 265 CD2 HIS A 18 -13.442 -7.388 -2.918 1.00 0.00 C ATOM 266 CE1 HIS A 18 -11.481 -7.753 -3.528 1.00 0.00 C ATOM 267 NE2 HIS A 18 -12.591 -8.406 -3.186 1.00 0.00 N ATOM 0 H HIS A 18 -13.448 -4.673 -5.914 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.394 -4.933 -3.674 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.528 -4.048 -3.104 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.730 -4.624 -1.967 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -10.900 -5.804 -3.702 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -14.467 -7.500 -2.598 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.561 -8.240 -3.814 1.00 0.00 H new ATOM 275 N TYR A 19 -13.860 -2.623 -5.272 1.00 0.00 N ATOM 276 CA TYR A 19 -13.862 -1.190 -5.652 1.00 0.00 C ATOM 277 C TYR A 19 -14.440 -1.038 -7.081 1.00 0.00 C ATOM 278 O TYR A 19 -15.614 -0.790 -7.271 1.00 0.00 O ATOM 279 CB TYR A 19 -12.376 -0.756 -5.689 1.00 0.00 C ATOM 280 CG TYR A 19 -11.934 -0.084 -4.381 1.00 0.00 C ATOM 281 CD1 TYR A 19 -12.252 -0.673 -3.180 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.274 1.185 -4.365 1.00 0.00 C ATOM 283 CE1 TYR A 19 -11.964 -0.054 -1.993 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.026 1.782 -3.139 1.00 0.00 C ATOM 285 CZ TYR A 19 -11.360 1.166 -1.966 1.00 0.00 C ATOM 286 OH TYR A 19 -11.088 1.775 -0.769 1.00 0.00 O ATOM 0 H TYR A 19 -13.269 -3.216 -5.854 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.455 -0.597 -4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.749 -1.628 -5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.221 -0.067 -6.519 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.736 -1.638 -3.173 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.976 1.666 -5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.220 -0.541 -1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.559 2.755 -3.110 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.340 2.398 -0.881 1.00 0.00 H new ATOM 296 N GLY A 20 -13.557 -1.201 -8.046 1.00 0.00 N ATOM 297 CA GLY A 20 -13.948 -1.089 -9.479 1.00 0.00 C ATOM 298 C GLY A 20 -12.971 -1.919 -10.326 1.00 0.00 C ATOM 299 O GLY A 20 -12.968 -1.849 -11.538 1.00 0.00 O ATOM 0 H GLY A 20 -12.571 -1.409 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.968 -1.446 -9.621 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.929 -0.046 -9.795 1.00 0.00 H new ATOM 303 N VAL A 21 -12.149 -2.678 -9.641 1.00 0.00 N ATOM 304 CA VAL A 21 -11.143 -3.545 -10.336 1.00 0.00 C ATOM 305 C VAL A 21 -10.885 -4.749 -9.478 1.00 0.00 C ATOM 306 O VAL A 21 -11.169 -4.744 -8.298 1.00 0.00 O ATOM 307 CB VAL A 21 -9.742 -2.807 -10.515 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.773 -1.885 -11.737 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.369 -1.993 -9.227 1.00 0.00 C ATOM 0 H VAL A 21 -12.131 -2.735 -8.623 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.546 -3.799 -11.316 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.977 -3.568 -10.671 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.808 -1.389 -11.843 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.980 -2.473 -12.631 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.553 -1.135 -11.607 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.409 -1.499 -9.374 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.137 -1.244 -9.035 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.302 -2.670 -8.375 1.00 0.00 H new ATOM 319 N TRP A 22 -10.363 -5.758 -10.067 1.00 0.00 N ATOM 320 CA TRP A 22 -10.080 -6.964 -9.280 1.00 0.00 C ATOM 321 C TRP A 22 -8.894 -6.653 -8.392 1.00 0.00 C ATOM 322 O TRP A 22 -7.791 -7.069 -8.659 1.00 0.00 O ATOM 323 CB TRP A 22 -9.731 -8.095 -10.253 1.00 0.00 C ATOM 324 CG TRP A 22 -10.871 -8.236 -11.257 1.00 0.00 C ATOM 325 CD1 TRP A 22 -10.911 -7.588 -12.402 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.943 -8.986 -11.093 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.078 -7.972 -12.948 1.00 0.00 N ATOM 328 CE2 TRP A 22 -12.797 -8.863 -12.178 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.296 -9.818 -10.042 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -13.985 -9.562 -12.211 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.487 -10.517 -10.081 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.329 -10.387 -11.164 1.00 0.00 C ATOM 0 H TRP A 22 -10.119 -5.805 -11.056 1.00 0.00 H new ATOM 0 HA TRP A 22 -10.932 -7.265 -8.671 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -8.796 -7.876 -10.769 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.585 -9.030 -9.711 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.178 -6.907 -12.808 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.404 -7.634 -13.853 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -11.639 -9.920 -9.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -14.646 -9.462 -13.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -13.758 -11.166 -9.262 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.260 -10.933 -11.191 1.00 0.00 H new ATOM 343 N SER A 23 -9.155 -5.898 -7.338 1.00 0.00 N ATOM 344 CA SER A 23 -8.064 -5.514 -6.386 1.00 0.00 C ATOM 345 C SER A 23 -8.098 -6.344 -5.128 1.00 0.00 C ATOM 346 O SER A 23 -9.141 -6.702 -4.654 1.00 0.00 O ATOM 347 CB SER A 23 -8.252 -4.021 -6.006 1.00 0.00 C ATOM 348 OG SER A 23 -9.200 -3.539 -6.939 1.00 0.00 O ATOM 0 H SER A 23 -10.079 -5.535 -7.102 1.00 0.00 H new ATOM 0 HA SER A 23 -7.105 -5.685 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.611 -3.913 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.313 -3.472 -6.074 1.00 0.00 H new ATOM 0 HG SER A 23 -9.326 -2.576 -6.810 1.00 0.00 H new ATOM 354 N CYS A 24 -6.950 -6.591 -4.590 1.00 0.00 N ATOM 355 CA CYS A 24 -6.893 -7.402 -3.350 1.00 0.00 C ATOM 356 C CYS A 24 -7.372 -6.586 -2.155 1.00 0.00 C ATOM 357 O CYS A 24 -7.122 -5.401 -2.068 1.00 0.00 O ATOM 358 CB CYS A 24 -5.440 -7.845 -3.118 1.00 0.00 C ATOM 359 SG CYS A 24 -4.284 -6.637 -2.427 1.00 0.00 S ATOM 0 H CYS A 24 -6.051 -6.271 -4.949 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.542 -8.271 -3.458 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.456 -8.709 -2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.038 -8.184 -4.073 1.00 0.00 H new ATOM 364 N GLU A 25 -8.056 -7.239 -1.255 1.00 0.00 N ATOM 365 CA GLU A 25 -8.567 -6.524 -0.054 1.00 0.00 C ATOM 366 C GLU A 25 -7.516 -5.589 0.529 1.00 0.00 C ATOM 367 O GLU A 25 -7.785 -4.433 0.791 1.00 0.00 O ATOM 368 CB GLU A 25 -8.940 -7.568 1.010 1.00 0.00 C ATOM 369 CG GLU A 25 -9.975 -8.532 0.423 1.00 0.00 C ATOM 370 CD GLU A 25 -10.359 -9.567 1.481 1.00 0.00 C ATOM 371 OE1 GLU A 25 -9.532 -9.785 2.351 1.00 0.00 O ATOM 372 OE2 GLU A 25 -11.459 -10.081 1.361 1.00 0.00 O ATOM 0 H GLU A 25 -8.282 -8.233 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.431 -5.928 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.053 -8.116 1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.344 -7.076 1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.858 -7.982 0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.568 -9.029 -0.457 1.00 0.00 H new ATOM 379 N GLY A 26 -6.340 -6.104 0.721 1.00 0.00 N ATOM 380 CA GLY A 26 -5.255 -5.257 1.289 1.00 0.00 C ATOM 381 C GLY A 26 -5.119 -3.952 0.503 1.00 0.00 C ATOM 382 O GLY A 26 -4.977 -2.892 1.080 1.00 0.00 O ATOM 0 H GLY A 26 -6.080 -7.068 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.469 -5.037 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.311 -5.802 1.265 1.00 0.00 H new ATOM 386 N CYS A 27 -5.166 -4.050 -0.799 1.00 0.00 N ATOM 387 CA CYS A 27 -5.039 -2.820 -1.618 1.00 0.00 C ATOM 388 C CYS A 27 -6.248 -1.911 -1.416 1.00 0.00 C ATOM 389 O CYS A 27 -6.115 -0.711 -1.364 1.00 0.00 O ATOM 390 CB CYS A 27 -4.914 -3.230 -3.101 1.00 0.00 C ATOM 391 SG CYS A 27 -3.237 -3.447 -3.728 1.00 0.00 S ATOM 0 H CYS A 27 -5.285 -4.918 -1.321 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.153 -2.265 -1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.457 -4.164 -3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.412 -2.474 -3.709 1.00 0.00 H new ATOM 396 N LYS A 28 -7.402 -2.494 -1.320 1.00 0.00 N ATOM 397 CA LYS A 28 -8.607 -1.661 -1.119 1.00 0.00 C ATOM 398 C LYS A 28 -8.464 -0.917 0.204 1.00 0.00 C ATOM 399 O LYS A 28 -8.768 0.242 0.296 1.00 0.00 O ATOM 400 CB LYS A 28 -9.872 -2.618 -1.132 1.00 0.00 C ATOM 401 CG LYS A 28 -10.556 -2.693 0.257 1.00 0.00 C ATOM 402 CD LYS A 28 -11.763 -3.618 0.170 1.00 0.00 C ATOM 403 CE LYS A 28 -12.548 -3.539 1.480 1.00 0.00 C ATOM 404 NZ LYS A 28 -11.619 -3.514 2.644 1.00 0.00 N ATOM 0 H LYS A 28 -7.562 -3.500 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.728 -0.920 -1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.589 -2.261 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.567 -3.618 -1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.852 -3.062 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.867 -1.699 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.398 -3.330 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.439 -4.643 -0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.170 -2.644 1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.219 -4.394 1.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.139 -3.765 3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.851 -4.199 2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.217 -2.560 2.747 1.00 0.00 H new ATOM 418 N ALA A 29 -7.980 -1.609 1.196 1.00 0.00 N ATOM 419 CA ALA A 29 -7.804 -0.966 2.521 1.00 0.00 C ATOM 420 C ALA A 29 -6.702 0.086 2.456 1.00 0.00 C ATOM 421 O ALA A 29 -6.876 1.206 2.893 1.00 0.00 O ATOM 422 CB ALA A 29 -7.402 -2.052 3.535 1.00 0.00 C ATOM 0 H ALA A 29 -7.700 -2.589 1.145 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.735 -0.483 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.267 -1.600 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.185 -2.808 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.469 -2.518 3.219 1.00 0.00 H new ATOM 428 N PHE A 30 -5.588 -0.302 1.911 1.00 0.00 N ATOM 429 CA PHE A 30 -4.448 0.646 1.797 1.00 0.00 C ATOM 430 C PHE A 30 -4.841 1.844 0.980 1.00 0.00 C ATOM 431 O PHE A 30 -4.597 2.968 1.348 1.00 0.00 O ATOM 432 CB PHE A 30 -3.302 -0.081 1.050 1.00 0.00 C ATOM 433 CG PHE A 30 -2.176 0.918 0.701 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.319 1.793 -0.379 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.026 0.992 1.477 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.339 2.723 -0.664 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.051 1.925 1.184 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.210 2.788 0.119 1.00 0.00 C ATOM 0 H PHE A 30 -5.416 -1.236 1.538 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.145 0.970 2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.906 -0.885 1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.686 -0.541 0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.204 1.741 -0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.894 0.319 2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.459 3.397 -1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.840 1.980 1.791 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.555 3.518 -0.101 1.00 0.00 H new ATOM 448 N PHE A 31 -5.435 1.572 -0.116 1.00 0.00 N ATOM 449 CA PHE A 31 -5.863 2.662 -1.001 1.00 0.00 C ATOM 450 C PHE A 31 -6.904 3.545 -0.334 1.00 0.00 C ATOM 451 O PHE A 31 -6.907 4.743 -0.537 1.00 0.00 O ATOM 452 CB PHE A 31 -6.408 1.990 -2.273 1.00 0.00 C ATOM 453 CG PHE A 31 -6.744 3.028 -3.344 1.00 0.00 C ATOM 454 CD1 PHE A 31 -5.799 3.904 -3.796 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.008 3.088 -3.855 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.115 4.834 -4.738 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.358 4.029 -4.798 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.405 4.907 -5.251 1.00 0.00 C ATOM 0 H PHE A 31 -5.648 0.631 -0.447 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.033 3.326 -1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.670 1.288 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.300 1.413 -2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.794 3.858 -3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.750 2.382 -3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.358 5.520 -5.089 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.369 4.075 -5.176 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.655 5.646 -5.998 1.00 0.00 H new ATOM 468 N LYS A 32 -7.770 2.969 0.451 1.00 0.00 N ATOM 469 CA LYS A 32 -8.791 3.823 1.115 1.00 0.00 C ATOM 470 C LYS A 32 -8.131 4.578 2.238 1.00 0.00 C ATOM 471 O LYS A 32 -8.735 5.424 2.867 1.00 0.00 O ATOM 472 CB LYS A 32 -9.946 2.928 1.691 1.00 0.00 C ATOM 473 CG LYS A 32 -11.309 3.584 1.406 1.00 0.00 C ATOM 474 CD LYS A 32 -12.425 2.617 1.821 1.00 0.00 C ATOM 475 CE LYS A 32 -13.752 3.377 1.887 1.00 0.00 C ATOM 476 NZ LYS A 32 -13.890 4.294 0.721 1.00 0.00 N ATOM 0 H LYS A 32 -7.816 1.971 0.658 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.214 4.520 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.909 1.936 1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.814 2.795 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.398 4.521 1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.396 3.827 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.497 1.798 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.197 2.175 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.582 2.670 1.901 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.804 3.948 2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.888 4.565 0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.315 5.146 0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.564 3.812 -0.141 1.00 0.00 H new ATOM 490 N ARG A 33 -6.895 4.261 2.472 1.00 0.00 N ATOM 491 CA ARG A 33 -6.188 4.946 3.540 1.00 0.00 C ATOM 492 C ARG A 33 -6.024 6.404 3.193 1.00 0.00 C ATOM 493 O ARG A 33 -5.843 7.227 4.068 1.00 0.00 O ATOM 494 CB ARG A 33 -4.792 4.302 3.712 1.00 0.00 C ATOM 495 CG ARG A 33 -4.173 4.729 5.069 1.00 0.00 C ATOM 496 CD ARG A 33 -3.151 3.673 5.525 1.00 0.00 C ATOM 497 NE ARG A 33 -3.880 2.557 6.193 1.00 0.00 N ATOM 498 CZ ARG A 33 -3.276 1.416 6.381 1.00 0.00 C ATOM 499 NH1 ARG A 33 -1.974 1.392 6.431 1.00 0.00 N ATOM 500 NH2 ARG A 33 -3.998 0.336 6.514 1.00 0.00 N ATOM 0 H ARG A 33 -6.358 3.558 1.964 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.756 4.860 4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.876 3.216 3.667 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.139 4.606 2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.688 5.700 4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.956 4.839 5.819 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.588 3.298 4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.430 4.117 6.211 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.844 2.685 6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.443 2.257 6.324 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.485 0.509 6.577 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.015 0.394 6.470 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.545 -0.566 6.662 1.00 0.00 H new ATOM 514 N SER A 34 -6.087 6.733 1.905 1.00 0.00 N ATOM 515 CA SER A 34 -5.923 8.190 1.554 1.00 0.00 C ATOM 516 C SER A 34 -6.613 8.636 0.262 1.00 0.00 C ATOM 517 O SER A 34 -7.192 9.700 0.231 1.00 0.00 O ATOM 518 CB SER A 34 -4.420 8.449 1.375 1.00 0.00 C ATOM 519 OG SER A 34 -3.871 8.162 2.653 1.00 0.00 O ATOM 0 H SER A 34 -6.236 6.092 1.126 1.00 0.00 H new ATOM 0 HA SER A 34 -6.389 8.753 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.993 7.808 0.603 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.224 9.479 1.078 1.00 0.00 H new ATOM 0 HG SER A 34 -2.958 7.823 2.548 1.00 0.00 H new ATOM 525 N ILE A 35 -6.610 7.799 -0.745 1.00 0.00 N ATOM 526 CA ILE A 35 -7.263 8.197 -2.047 1.00 0.00 C ATOM 527 C ILE A 35 -6.910 9.651 -2.422 1.00 0.00 C ATOM 528 O ILE A 35 -6.292 10.362 -1.667 1.00 0.00 O ATOM 529 CB ILE A 35 -8.794 8.028 -1.976 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.144 6.666 -1.361 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.378 8.083 -3.426 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.864 5.530 -2.380 1.00 0.00 C ATOM 0 H ILE A 35 -6.192 6.869 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.877 7.534 -2.821 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.214 8.825 -1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.557 6.506 -0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.194 6.650 -1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.461 7.964 -3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.134 9.043 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.946 7.280 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.116 4.569 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.470 5.684 -3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.809 5.537 -2.652 1.00 0.00 H new ATOM 544 N GLN A 36 -7.264 10.028 -3.624 1.00 0.00 N ATOM 545 CA GLN A 36 -6.969 11.411 -4.099 1.00 0.00 C ATOM 546 C GLN A 36 -5.474 11.665 -4.074 1.00 0.00 C ATOM 547 O GLN A 36 -4.785 11.273 -3.164 1.00 0.00 O ATOM 548 CB GLN A 36 -7.654 12.460 -3.213 1.00 0.00 C ATOM 549 CG GLN A 36 -9.175 12.348 -3.358 1.00 0.00 C ATOM 550 CD GLN A 36 -9.578 12.738 -4.780 1.00 0.00 C ATOM 551 OE1 GLN A 36 -9.716 11.901 -5.650 1.00 0.00 O ATOM 552 NE2 GLN A 36 -9.779 13.998 -5.059 1.00 0.00 N ATOM 0 H GLN A 36 -7.746 9.434 -4.299 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.350 11.496 -5.117 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.367 12.313 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.325 13.460 -3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.498 11.330 -3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.669 12.998 -2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.665 14.706 -4.333 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.050 14.274 -6.003 1.00 0.00 H new ATOM 561 N GLY A 37 -5.009 12.341 -5.058 1.00 0.00 N ATOM 562 CA GLY A 37 -3.550 12.633 -5.113 1.00 0.00 C ATOM 563 C GLY A 37 -3.113 13.373 -3.865 1.00 0.00 C ATOM 564 O GLY A 37 -2.245 12.939 -3.142 1.00 0.00 O ATOM 0 H GLY A 37 -5.562 12.710 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.990 11.703 -5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.325 13.231 -5.996 1.00 0.00 H new ATOM 568 N HIS A 38 -3.715 14.488 -3.663 1.00 0.00 N ATOM 569 CA HIS A 38 -3.378 15.312 -2.472 1.00 0.00 C ATOM 570 C HIS A 38 -3.241 14.452 -1.210 1.00 0.00 C ATOM 571 O HIS A 38 -4.217 14.135 -0.558 1.00 0.00 O ATOM 572 CB HIS A 38 -4.511 16.326 -2.256 1.00 0.00 C ATOM 573 CG HIS A 38 -4.553 17.292 -3.442 1.00 0.00 C ATOM 574 ND1 HIS A 38 -3.609 17.486 -4.237 1.00 0.00 N ATOM 575 CD2 HIS A 38 -5.575 18.114 -3.876 1.00 0.00 C ATOM 576 CE1 HIS A 38 -3.917 18.335 -5.126 1.00 0.00 C ATOM 577 NE2 HIS A 38 -5.160 18.796 -4.979 1.00 0.00 N ATOM 0 H HIS A 38 -4.435 14.879 -4.271 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.424 15.808 -2.649 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.465 15.808 -2.159 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.351 16.876 -1.329 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -6.547 18.202 -3.414 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.249 18.650 -5.914 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -5.666 19.479 -5.543 1.00 0.00 H new ATOM 585 N ASN A 39 -2.022 14.097 -0.896 1.00 0.00 N ATOM 586 CA ASN A 39 -1.773 13.261 0.312 1.00 0.00 C ATOM 587 C ASN A 39 -0.277 13.082 0.524 1.00 0.00 C ATOM 588 O ASN A 39 0.460 12.870 -0.416 1.00 0.00 O ATOM 589 CB ASN A 39 -2.431 11.877 0.117 1.00 0.00 C ATOM 590 CG ASN A 39 -1.957 11.228 -1.191 1.00 0.00 C ATOM 591 OD1 ASN A 39 -2.745 10.927 -2.061 1.00 0.00 O ATOM 592 ND2 ASN A 39 -0.689 10.976 -1.361 1.00 0.00 N ATOM 0 H ASN A 39 -1.188 14.351 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.200 13.756 1.184 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.185 11.230 0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.516 11.984 0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.368 10.529 -2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.018 11.225 -0.635 1.00 0.00 H new ATOM 599 N ASP A 40 0.163 13.197 1.754 1.00 0.00 N ATOM 600 CA ASP A 40 1.612 13.028 2.000 1.00 0.00 C ATOM 601 C ASP A 40 1.996 11.588 1.831 1.00 0.00 C ATOM 602 O ASP A 40 1.721 10.753 2.669 1.00 0.00 O ATOM 603 CB ASP A 40 1.954 13.442 3.404 1.00 0.00 C ATOM 604 CG ASP A 40 1.476 14.875 3.650 1.00 0.00 C ATOM 605 OD1 ASP A 40 0.297 15.010 3.935 1.00 0.00 O ATOM 606 OD2 ASP A 40 2.315 15.752 3.538 1.00 0.00 O ATOM 0 H ASP A 40 -0.410 13.396 2.574 1.00 0.00 H new ATOM 0 HA ASP A 40 2.152 13.650 1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.485 12.764 4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.031 13.375 3.561 1.00 0.00 H new ATOM 611 N TYR A 41 2.624 11.329 0.750 1.00 0.00 N ATOM 612 CA TYR A 41 3.071 9.939 0.432 1.00 0.00 C ATOM 613 C TYR A 41 4.514 9.991 -0.115 1.00 0.00 C ATOM 614 O TYR A 41 4.826 10.792 -0.972 1.00 0.00 O ATOM 615 CB TYR A 41 2.106 9.360 -0.665 1.00 0.00 C ATOM 616 CG TYR A 41 0.851 8.664 -0.014 1.00 0.00 C ATOM 617 CD1 TYR A 41 -0.042 9.353 0.794 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.640 7.322 -0.212 1.00 0.00 C ATOM 619 CE1 TYR A 41 -1.103 8.693 1.392 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.418 6.665 0.385 1.00 0.00 C ATOM 621 CZ TYR A 41 -1.291 7.340 1.188 1.00 0.00 C ATOM 622 OH TYR A 41 -2.324 6.670 1.801 1.00 0.00 O ATOM 0 H TYR A 41 2.862 12.025 0.043 1.00 0.00 H new ATOM 0 HA TYR A 41 3.048 9.309 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 41 1.778 10.164 -1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.644 8.641 -1.283 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.091 10.412 0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.315 6.769 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.788 9.240 2.022 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.556 5.607 0.215 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.302 5.726 1.540 1.00 0.00 H new ATOM 632 N MET A 42 5.359 9.132 0.399 1.00 0.00 N ATOM 633 CA MET A 42 6.784 9.109 -0.064 1.00 0.00 C ATOM 634 C MET A 42 6.971 8.747 -1.551 1.00 0.00 C ATOM 635 O MET A 42 6.116 8.971 -2.384 1.00 0.00 O ATOM 636 CB MET A 42 7.574 8.091 0.840 1.00 0.00 C ATOM 637 CG MET A 42 8.923 8.701 1.262 1.00 0.00 C ATOM 638 SD MET A 42 8.878 10.206 2.265 1.00 0.00 S ATOM 639 CE MET A 42 10.551 10.781 1.881 1.00 0.00 C ATOM 0 H MET A 42 5.126 8.447 1.118 1.00 0.00 H new ATOM 0 HA MET A 42 7.168 10.125 0.031 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.985 7.843 1.723 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.740 7.161 0.296 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.477 7.943 1.816 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.493 8.915 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.743 11.717 2.405 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.275 10.031 2.200 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.643 10.941 0.807 1.00 0.00 H new ATOM 649 N CYS A 43 8.128 8.216 -1.807 1.00 0.00 N ATOM 650 CA CYS A 43 8.531 7.784 -3.199 1.00 0.00 C ATOM 651 C CYS A 43 7.812 8.600 -4.306 1.00 0.00 C ATOM 652 O CYS A 43 6.965 8.089 -5.013 1.00 0.00 O ATOM 653 CB CYS A 43 8.217 6.265 -3.355 1.00 0.00 C ATOM 654 SG CYS A 43 9.431 5.229 -4.242 1.00 0.00 S ATOM 0 H CYS A 43 8.843 8.052 -1.098 1.00 0.00 H new ATOM 0 HA CYS A 43 9.598 7.971 -3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.086 5.846 -2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.260 6.172 -3.868 1.00 0.00 H new ATOM 659 N PRO A 44 8.173 9.870 -4.427 1.00 0.00 N ATOM 660 CA PRO A 44 7.567 10.734 -5.434 1.00 0.00 C ATOM 661 C PRO A 44 8.069 10.366 -6.843 1.00 0.00 C ATOM 662 O PRO A 44 8.196 11.218 -7.700 1.00 0.00 O ATOM 663 CB PRO A 44 8.031 12.179 -5.047 1.00 0.00 C ATOM 664 CG PRO A 44 9.085 12.031 -3.896 1.00 0.00 C ATOM 665 CD PRO A 44 9.172 10.521 -3.553 1.00 0.00 C ATOM 0 HA PRO A 44 6.481 10.638 -5.458 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.468 12.687 -5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.184 12.781 -4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.057 12.412 -4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.785 12.609 -3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.173 10.131 -3.740 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.951 10.342 -2.501 1.00 0.00 H new ATOM 673 N ALA A 45 8.338 9.098 -7.055 1.00 0.00 N ATOM 674 CA ALA A 45 8.828 8.676 -8.391 1.00 0.00 C ATOM 675 C ALA A 45 8.597 7.235 -8.575 1.00 0.00 C ATOM 676 O ALA A 45 8.429 6.767 -9.680 1.00 0.00 O ATOM 677 CB ALA A 45 10.324 8.946 -8.469 1.00 0.00 C ATOM 0 H ALA A 45 8.239 8.352 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 45 8.298 9.230 -9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.698 8.641 -9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.510 10.011 -8.326 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.837 8.380 -7.691 1.00 0.00 H new ATOM 683 N THR A 46 8.597 6.536 -7.492 1.00 0.00 N ATOM 684 CA THR A 46 8.370 5.078 -7.555 1.00 0.00 C ATOM 685 C THR A 46 9.640 4.338 -8.034 1.00 0.00 C ATOM 686 O THR A 46 9.573 3.304 -8.661 1.00 0.00 O ATOM 687 CB THR A 46 7.121 4.842 -8.508 1.00 0.00 C ATOM 688 OG1 THR A 46 6.322 3.897 -7.835 1.00 0.00 O ATOM 689 CG2 THR A 46 7.461 4.146 -9.859 1.00 0.00 C ATOM 0 H THR A 46 8.746 6.913 -6.556 1.00 0.00 H new ATOM 0 HA THR A 46 8.155 4.668 -6.568 1.00 0.00 H new ATOM 0 HB THR A 46 6.681 5.817 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.407 3.936 -8.183 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.550 4.025 -10.445 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.172 4.758 -10.415 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.899 3.167 -9.664 1.00 0.00 H new ATOM 697 N ASN A 47 10.786 4.876 -7.665 1.00 0.00 N ATOM 698 CA ASN A 47 12.088 4.242 -8.077 1.00 0.00 C ATOM 699 C ASN A 47 12.996 4.021 -6.874 1.00 0.00 C ATOM 700 O ASN A 47 14.107 4.510 -6.833 1.00 0.00 O ATOM 701 CB ASN A 47 12.795 5.196 -9.055 1.00 0.00 C ATOM 702 CG ASN A 47 12.084 5.152 -10.409 1.00 0.00 C ATOM 703 OD1 ASN A 47 11.463 6.109 -10.829 1.00 0.00 O ATOM 704 ND2 ASN A 47 12.151 4.061 -11.123 1.00 0.00 N ATOM 0 H ASN A 47 10.876 5.721 -7.100 1.00 0.00 H new ATOM 0 HA ASN A 47 11.882 3.276 -8.538 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.786 6.212 -8.660 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.840 4.908 -9.171 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.684 4.015 -12.028 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.671 3.255 -10.775 1.00 0.00 H new ATOM 711 N GLN A 48 12.505 3.286 -5.913 1.00 0.00 N ATOM 712 CA GLN A 48 13.326 3.015 -4.695 1.00 0.00 C ATOM 713 C GLN A 48 12.935 1.681 -4.062 1.00 0.00 C ATOM 714 O GLN A 48 13.599 0.680 -4.250 1.00 0.00 O ATOM 715 CB GLN A 48 13.067 4.148 -3.682 1.00 0.00 C ATOM 716 CG GLN A 48 13.885 3.895 -2.411 1.00 0.00 C ATOM 717 CD GLN A 48 13.729 5.088 -1.466 1.00 0.00 C ATOM 718 OE1 GLN A 48 13.975 6.220 -1.831 1.00 0.00 O ATOM 719 NE2 GLN A 48 13.321 4.877 -0.245 1.00 0.00 N ATOM 0 H GLN A 48 11.577 2.863 -5.917 1.00 0.00 H new ATOM 0 HA GLN A 48 14.379 2.969 -4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.340 5.109 -4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.005 4.198 -3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.546 2.982 -1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.936 3.751 -2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.113 3.928 0.066 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.210 5.661 0.398 1.00 0.00 H new ATOM 728 N CYS A 49 11.867 1.697 -3.325 1.00 0.00 N ATOM 729 CA CYS A 49 11.400 0.453 -2.665 1.00 0.00 C ATOM 730 C CYS A 49 10.743 -0.494 -3.693 1.00 0.00 C ATOM 731 O CYS A 49 10.738 -0.212 -4.876 1.00 0.00 O ATOM 732 CB CYS A 49 10.384 0.885 -1.560 1.00 0.00 C ATOM 733 SG CYS A 49 9.993 2.671 -1.452 1.00 0.00 S ATOM 0 H CYS A 49 11.294 2.522 -3.150 1.00 0.00 H new ATOM 0 HA CYS A 49 12.232 -0.096 -2.224 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.453 0.342 -1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 49 10.775 0.564 -0.595 1.00 0.00 H new ATOM 738 N THR A 50 10.209 -1.607 -3.217 1.00 0.00 N ATOM 739 CA THR A 50 9.545 -2.594 -4.165 1.00 0.00 C ATOM 740 C THR A 50 8.138 -3.019 -3.695 1.00 0.00 C ATOM 741 O THR A 50 7.942 -3.390 -2.557 1.00 0.00 O ATOM 742 CB THR A 50 10.423 -3.847 -4.231 1.00 0.00 C ATOM 743 OG1 THR A 50 11.729 -3.377 -4.494 1.00 0.00 O ATOM 744 CG2 THR A 50 10.066 -4.702 -5.458 1.00 0.00 C ATOM 0 H THR A 50 10.201 -1.876 -2.233 1.00 0.00 H new ATOM 0 HA THR A 50 9.438 -2.107 -5.134 1.00 0.00 H new ATOM 0 HB THR A 50 10.307 -4.426 -3.315 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.346 -4.137 -4.547 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.703 -5.586 -5.483 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.022 -5.009 -5.396 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.220 -4.118 -6.366 1.00 0.00 H new ATOM 752 N ILE A 51 7.184 -2.959 -4.614 1.00 0.00 N ATOM 753 CA ILE A 51 5.761 -3.349 -4.283 1.00 0.00 C ATOM 754 C ILE A 51 5.402 -4.649 -5.020 1.00 0.00 C ATOM 755 O ILE A 51 5.545 -4.739 -6.221 1.00 0.00 O ATOM 756 CB ILE A 51 4.823 -2.172 -4.756 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.472 -1.255 -3.561 1.00 0.00 C ATOM 758 CG2 ILE A 51 3.494 -2.721 -5.389 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.329 -1.810 -2.735 1.00 0.00 C ATOM 0 H ILE A 51 7.331 -2.657 -5.577 1.00 0.00 H new ATOM 0 HA ILE A 51 5.640 -3.518 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 51 5.364 -1.604 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.351 -1.133 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.205 -0.265 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.869 -1.886 -5.705 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.732 -3.343 -6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.958 -3.316 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.117 -1.134 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.442 -1.907 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.605 -2.789 -2.343 1.00 0.00 H new ATOM 771 N ASP A 52 4.936 -5.622 -4.282 1.00 0.00 N ATOM 772 CA ASP A 52 4.567 -6.910 -4.925 1.00 0.00 C ATOM 773 C ASP A 52 3.940 -7.869 -3.905 1.00 0.00 C ATOM 774 O ASP A 52 2.886 -7.595 -3.365 1.00 0.00 O ATOM 775 CB ASP A 52 5.847 -7.545 -5.506 1.00 0.00 C ATOM 776 CG ASP A 52 6.956 -7.505 -4.453 1.00 0.00 C ATOM 777 OD1 ASP A 52 7.303 -6.397 -4.075 1.00 0.00 O ATOM 778 OD2 ASP A 52 7.393 -8.582 -4.086 1.00 0.00 O ATOM 0 H ASP A 52 4.797 -5.579 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 52 3.836 -6.724 -5.712 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.652 -8.575 -5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.160 -7.006 -6.401 1.00 0.00 H new ATOM 783 N LYS A 53 4.600 -8.981 -3.659 1.00 0.00 N ATOM 784 CA LYS A 53 4.058 -9.973 -2.677 1.00 0.00 C ATOM 785 C LYS A 53 4.778 -9.856 -1.342 1.00 0.00 C ATOM 786 O LYS A 53 5.757 -10.535 -1.103 1.00 0.00 O ATOM 787 CB LYS A 53 4.304 -11.386 -3.236 1.00 0.00 C ATOM 788 CG LYS A 53 3.578 -11.537 -4.580 1.00 0.00 C ATOM 789 CD LYS A 53 4.149 -12.747 -5.330 1.00 0.00 C ATOM 790 CE LYS A 53 3.320 -12.995 -6.593 1.00 0.00 C ATOM 791 NZ LYS A 53 4.007 -13.972 -7.485 1.00 0.00 N ATOM 0 H LYS A 53 5.485 -9.241 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 53 2.995 -9.782 -2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.373 -11.556 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.946 -12.136 -2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.508 -11.668 -4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.701 -10.633 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.191 -12.567 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.130 -13.629 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.335 -13.373 -6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.165 -12.056 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.431 -14.129 -8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.937 -13.597 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.133 -14.873 -6.981 1.00 0.00 H new ATOM 805 N ASN A 54 4.281 -8.995 -0.485 1.00 0.00 N ATOM 806 CA ASN A 54 4.930 -8.824 0.844 1.00 0.00 C ATOM 807 C ASN A 54 3.902 -8.442 1.902 1.00 0.00 C ATOM 808 O ASN A 54 3.324 -9.298 2.543 1.00 0.00 O ATOM 809 CB ASN A 54 5.973 -7.699 0.726 1.00 0.00 C ATOM 810 CG ASN A 54 6.583 -7.425 2.103 1.00 0.00 C ATOM 811 OD1 ASN A 54 6.388 -8.172 3.041 1.00 0.00 O ATOM 812 ND2 ASN A 54 7.328 -6.366 2.267 1.00 0.00 N ATOM 0 H ASN A 54 3.462 -8.411 -0.650 1.00 0.00 H new ATOM 0 HA ASN A 54 5.398 -9.762 1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.753 -7.984 0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.506 -6.794 0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.742 -6.170 3.178 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.496 -5.734 1.484 1.00 0.00 H new ATOM 819 N ARG A 55 3.685 -7.163 2.064 1.00 0.00 N ATOM 820 CA ARG A 55 2.700 -6.707 3.075 1.00 0.00 C ATOM 821 C ARG A 55 2.188 -5.321 2.739 1.00 0.00 C ATOM 822 O ARG A 55 1.241 -5.154 1.999 1.00 0.00 O ATOM 823 CB ARG A 55 3.406 -6.658 4.455 1.00 0.00 C ATOM 824 CG ARG A 55 3.647 -8.086 4.967 1.00 0.00 C ATOM 825 CD ARG A 55 3.964 -8.035 6.465 1.00 0.00 C ATOM 826 NE ARG A 55 5.152 -7.160 6.681 1.00 0.00 N ATOM 827 CZ ARG A 55 5.639 -7.027 7.885 1.00 0.00 C ATOM 828 NH1 ARG A 55 4.929 -7.434 8.901 1.00 0.00 N ATOM 829 NH2 ARG A 55 6.821 -6.492 8.033 1.00 0.00 N ATOM 0 H ARG A 55 4.148 -6.421 1.540 1.00 0.00 H new ATOM 0 HA ARG A 55 1.856 -7.397 3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.354 -6.127 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.794 -6.105 5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.766 -8.703 4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.472 -8.546 4.424 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.107 -7.650 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.162 -9.038 6.842 1.00 0.00 H new ATOM 0 HE ARG A 55 5.580 -6.670 5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.010 -7.848 8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.293 -7.338 9.849 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.348 -6.186 7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.217 -6.380 8.966 1.00 0.00 H new ATOM 843 N ARG A 56 2.832 -4.375 3.291 1.00 0.00 N ATOM 844 CA ARG A 56 2.451 -2.961 3.059 1.00 0.00 C ATOM 845 C ARG A 56 3.431 -2.031 3.767 1.00 0.00 C ATOM 846 O ARG A 56 3.034 -1.180 4.534 1.00 0.00 O ATOM 847 CB ARG A 56 1.036 -2.732 3.639 1.00 0.00 C ATOM 848 CG ARG A 56 0.986 -3.251 5.091 1.00 0.00 C ATOM 849 CD ARG A 56 -0.448 -3.115 5.648 1.00 0.00 C ATOM 850 NE ARG A 56 -1.191 -4.380 5.378 1.00 0.00 N ATOM 851 CZ ARG A 56 -1.596 -4.638 4.167 1.00 0.00 C ATOM 852 NH1 ARG A 56 -2.354 -3.770 3.556 1.00 0.00 N ATOM 853 NH2 ARG A 56 -1.229 -5.757 3.605 1.00 0.00 N ATOM 0 H ARG A 56 3.630 -4.507 3.912 1.00 0.00 H new ATOM 0 HA ARG A 56 2.468 -2.751 1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.787 -1.671 3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.294 -3.249 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.301 -4.294 5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.682 -2.687 5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.419 -2.916 6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.956 -2.272 5.180 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.380 -5.037 6.135 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.621 -2.905 4.027 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.680 -3.956 2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.635 -6.412 4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.536 -5.977 2.657 1.00 0.00 H new ATOM 867 N LYS A 57 4.708 -2.215 3.499 1.00 0.00 N ATOM 868 CA LYS A 57 5.734 -1.345 4.155 1.00 0.00 C ATOM 869 C LYS A 57 6.940 -1.129 3.244 1.00 0.00 C ATOM 870 O LYS A 57 7.977 -0.670 3.679 1.00 0.00 O ATOM 871 CB LYS A 57 6.197 -2.038 5.457 1.00 0.00 C ATOM 872 CG LYS A 57 6.762 -0.988 6.423 1.00 0.00 C ATOM 873 CD LYS A 57 7.124 -1.666 7.750 1.00 0.00 C ATOM 874 CE LYS A 57 7.320 -0.596 8.827 1.00 0.00 C ATOM 875 NZ LYS A 57 8.165 0.516 8.310 1.00 0.00 N ATOM 0 H LYS A 57 5.076 -2.922 2.862 1.00 0.00 H new ATOM 0 HA LYS A 57 5.291 -0.372 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.360 -2.561 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.956 -2.787 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.644 -0.515 5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.028 -0.200 6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.334 -2.356 8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.035 -2.254 7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.352 -0.208 9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.789 -1.038 9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.540 1.067 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.955 0.124 7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.591 1.134 7.702 1.00 0.00 H new ATOM 889 N SER A 58 6.779 -1.465 1.992 1.00 0.00 N ATOM 890 CA SER A 58 7.906 -1.291 1.016 1.00 0.00 C ATOM 891 C SER A 58 7.660 -0.052 0.159 1.00 0.00 C ATOM 892 O SER A 58 7.867 1.058 0.607 1.00 0.00 O ATOM 893 CB SER A 58 7.962 -2.531 0.110 1.00 0.00 C ATOM 894 OG SER A 58 8.186 -3.607 1.010 1.00 0.00 O ATOM 0 H SER A 58 5.921 -1.852 1.599 1.00 0.00 H new ATOM 0 HA SER A 58 8.846 -1.172 1.554 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.033 -2.662 -0.445 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.763 -2.452 -0.625 1.00 0.00 H new ATOM 0 HG SER A 58 8.691 -4.314 0.556 1.00 0.00 H new ATOM 900 N CYS A 59 7.218 -0.253 -1.064 1.00 0.00 N ATOM 901 CA CYS A 59 6.955 0.919 -1.947 1.00 0.00 C ATOM 902 C CYS A 59 5.523 1.375 -1.688 1.00 0.00 C ATOM 903 O CYS A 59 4.721 1.534 -2.582 1.00 0.00 O ATOM 904 CB CYS A 59 7.211 0.474 -3.462 1.00 0.00 C ATOM 905 SG CYS A 59 8.539 1.292 -4.429 1.00 0.00 S ATOM 0 H CYS A 59 7.032 -1.166 -1.479 1.00 0.00 H new ATOM 0 HA CYS A 59 7.617 1.760 -1.744 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.421 -0.596 -3.458 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.277 0.613 -4.006 1.00 0.00 H new ATOM 910 N GLN A 60 5.262 1.602 -0.413 1.00 0.00 N ATOM 911 CA GLN A 60 3.918 2.052 0.020 1.00 0.00 C ATOM 912 C GLN A 60 3.536 3.350 -0.658 1.00 0.00 C ATOM 913 O GLN A 60 2.482 3.449 -1.240 1.00 0.00 O ATOM 914 CB GLN A 60 3.951 2.285 1.561 1.00 0.00 C ATOM 915 CG GLN A 60 3.637 0.978 2.300 1.00 0.00 C ATOM 916 CD GLN A 60 3.377 1.294 3.776 1.00 0.00 C ATOM 917 OE1 GLN A 60 2.302 1.056 4.292 1.00 0.00 O ATOM 918 NE2 GLN A 60 4.330 1.831 4.488 1.00 0.00 N ATOM 0 H GLN A 60 5.939 1.489 0.342 1.00 0.00 H new ATOM 0 HA GLN A 60 3.186 1.290 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.932 2.654 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.226 3.051 1.836 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.765 0.495 1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.470 0.281 2.204 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.234 2.033 4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.171 2.049 5.472 1.00 0.00 H new ATOM 927 N ALA A 61 4.405 4.331 -0.597 1.00 0.00 N ATOM 928 CA ALA A 61 4.056 5.630 -1.257 1.00 0.00 C ATOM 929 C ALA A 61 4.308 5.533 -2.698 1.00 0.00 C ATOM 930 O ALA A 61 4.837 6.424 -3.334 1.00 0.00 O ATOM 931 CB ALA A 61 4.883 6.747 -0.697 1.00 0.00 C ATOM 0 H ALA A 61 5.313 4.294 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 61 3.002 5.837 -1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.614 7.681 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.698 6.835 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.939 6.538 -0.867 1.00 0.00 H new ATOM 937 N CYS A 62 3.921 4.446 -3.178 1.00 0.00 N ATOM 938 CA CYS A 62 4.068 4.130 -4.568 1.00 0.00 C ATOM 939 C CYS A 62 2.896 3.226 -4.899 1.00 0.00 C ATOM 940 O CYS A 62 2.381 3.248 -5.996 1.00 0.00 O ATOM 941 CB CYS A 62 5.442 3.448 -4.665 1.00 0.00 C ATOM 942 SG CYS A 62 6.501 3.651 -3.165 1.00 0.00 S ATOM 0 H CYS A 62 3.478 3.711 -2.627 1.00 0.00 H new ATOM 0 HA CYS A 62 4.049 4.964 -5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.294 2.384 -4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.974 3.850 -5.528 1.00 0.00 H new ATOM 947 N ARG A 63 2.487 2.419 -3.910 1.00 0.00 N ATOM 948 CA ARG A 63 1.345 1.526 -4.145 1.00 0.00 C ATOM 949 C ARG A 63 0.199 2.434 -4.527 1.00 0.00 C ATOM 950 O ARG A 63 -0.572 2.160 -5.418 1.00 0.00 O ATOM 951 CB ARG A 63 0.978 0.834 -2.820 1.00 0.00 C ATOM 952 CG ARG A 63 -0.098 -0.228 -3.088 1.00 0.00 C ATOM 953 CD ARG A 63 -0.449 -0.949 -1.778 1.00 0.00 C ATOM 954 NE ARG A 63 0.602 -1.986 -1.497 1.00 0.00 N ATOM 955 CZ ARG A 63 0.258 -3.154 -1.003 1.00 0.00 C ATOM 956 NH1 ARG A 63 -0.859 -3.703 -1.396 1.00 0.00 N ATOM 957 NH2 ARG A 63 1.047 -3.728 -0.137 1.00 0.00 N ATOM 0 H ARG A 63 2.906 2.365 -2.982 1.00 0.00 H new ATOM 0 HA ARG A 63 1.562 0.775 -4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.862 0.371 -2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.612 1.567 -2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.989 0.240 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.261 -0.946 -3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.502 -0.234 -0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.430 -1.418 -1.857 1.00 0.00 H new ATOM 0 HE ARG A 63 1.583 -1.783 -1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.450 -3.226 -2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.141 -4.609 -1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.914 -3.270 0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.797 -4.635 0.258 1.00 0.00 H new ATOM 971 N LEU A 64 0.139 3.533 -3.790 1.00 0.00 N ATOM 972 CA LEU A 64 -0.905 4.544 -4.012 1.00 0.00 C ATOM 973 C LEU A 64 -0.831 5.030 -5.442 1.00 0.00 C ATOM 974 O LEU A 64 -1.753 4.911 -6.207 1.00 0.00 O ATOM 975 CB LEU A 64 -0.588 5.744 -3.105 1.00 0.00 C ATOM 976 CG LEU A 64 -1.684 6.837 -3.257 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.057 6.293 -2.709 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.257 8.088 -2.439 1.00 0.00 C ATOM 0 H LEU A 64 0.791 3.754 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.888 4.122 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.530 5.419 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.387 6.158 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.801 7.100 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.822 7.062 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.349 5.408 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.951 6.032 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.017 8.863 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.148 7.816 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.306 8.463 -2.817 1.00 0.00 H new ATOM 990 N ARG A 65 0.288 5.600 -5.773 1.00 0.00 N ATOM 991 CA ARG A 65 0.459 6.105 -7.141 1.00 0.00 C ATOM 992 C ARG A 65 0.111 5.012 -8.111 1.00 0.00 C ATOM 993 O ARG A 65 -0.438 5.260 -9.167 1.00 0.00 O ATOM 994 CB ARG A 65 1.944 6.530 -7.303 1.00 0.00 C ATOM 995 CG ARG A 65 2.212 7.040 -8.739 1.00 0.00 C ATOM 996 CD ARG A 65 1.497 8.385 -8.965 1.00 0.00 C ATOM 997 NE ARG A 65 0.083 8.129 -9.356 1.00 0.00 N ATOM 998 CZ ARG A 65 -0.613 9.088 -9.903 1.00 0.00 C ATOM 999 NH1 ARG A 65 -0.049 9.834 -10.813 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -1.847 9.271 -9.520 1.00 0.00 N ATOM 0 H ARG A 65 1.086 5.734 -5.152 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.191 6.958 -7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.184 7.312 -6.583 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.596 5.684 -7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.284 7.158 -8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.862 6.306 -9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.532 8.986 -8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.005 8.954 -9.744 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.337 7.213 -9.198 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.919 9.663 -11.085 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.576 10.589 -11.252 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.253 8.669 -8.804 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.405 10.016 -9.937 1.00 0.00 H new ATOM 1014 N LYS A 66 0.432 3.814 -7.740 1.00 0.00 N ATOM 1015 CA LYS A 66 0.122 2.695 -8.621 1.00 0.00 C ATOM 1016 C LYS A 66 -1.339 2.391 -8.471 1.00 0.00 C ATOM 1017 O LYS A 66 -1.940 1.844 -9.352 1.00 0.00 O ATOM 1018 CB LYS A 66 0.951 1.475 -8.200 1.00 0.00 C ATOM 1019 CG LYS A 66 2.425 1.722 -8.548 1.00 0.00 C ATOM 1020 CD LYS A 66 3.298 0.718 -7.789 1.00 0.00 C ATOM 1021 CE LYS A 66 4.697 0.694 -8.412 1.00 0.00 C ATOM 1022 NZ LYS A 66 4.659 0.044 -9.753 1.00 0.00 N ATOM 0 H LYS A 66 0.895 3.572 -6.864 1.00 0.00 H new ATOM 0 HA LYS A 66 0.356 2.939 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.842 1.298 -7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.590 0.582 -8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.580 1.617 -9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.708 2.741 -8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.360 0.995 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.851 -0.275 -7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.078 1.711 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.383 0.155 -7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.605 -0.316 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.982 -0.745 -9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.363 0.739 -10.468 1.00 0.00 H new ATOM 1036 N CYS A 67 -1.898 2.767 -7.330 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.333 2.502 -7.120 1.00 0.00 C ATOM 1038 C CYS A 67 -4.127 3.402 -8.016 1.00 0.00 C ATOM 1039 O CYS A 67 -5.133 3.015 -8.541 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.737 2.788 -5.666 1.00 0.00 C ATOM 1041 SG CYS A 67 -3.022 1.748 -4.372 1.00 0.00 S ATOM 0 H CYS A 67 -1.417 3.235 -6.562 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.528 1.453 -7.343 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.479 3.823 -5.444 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.822 2.709 -5.598 1.00 0.00 H new ATOM 0 HG CYS A 67 -1.888 1.263 -4.782 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.684 4.618 -8.161 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.443 5.523 -9.044 1.00 0.00 C ATOM 1049 C TYR A 68 -4.195 5.100 -10.471 1.00 0.00 C ATOM 1050 O TYR A 68 -5.011 5.322 -11.343 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.939 6.970 -8.860 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.207 7.489 -7.422 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.467 7.395 -6.837 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.194 8.118 -6.704 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.692 7.917 -5.579 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.439 8.642 -5.469 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.668 8.542 -4.895 1.00 0.00 C ATOM 1058 OH TYR A 68 -4.854 9.005 -3.636 1.00 0.00 O ATOM 0 H TYR A 68 -2.853 5.010 -7.718 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.505 5.477 -8.803 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.870 7.013 -9.070 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.432 7.622 -9.581 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.272 6.911 -7.370 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.204 8.192 -7.129 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.670 7.836 -5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.644 9.145 -4.938 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.254 9.763 -3.474 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.050 4.506 -10.693 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.731 4.056 -12.059 1.00 0.00 C ATOM 1070 C GLU A 69 -3.773 3.075 -12.499 1.00 0.00 C ATOM 1071 O GLU A 69 -4.071 2.930 -13.667 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.359 3.382 -12.035 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.855 3.205 -13.470 1.00 0.00 C ATOM 1074 CD GLU A 69 0.526 2.548 -13.444 1.00 0.00 C ATOM 1075 OE1 GLU A 69 0.548 1.340 -13.274 1.00 0.00 O ATOM 1076 OE2 GLU A 69 1.481 3.291 -13.597 1.00 0.00 O ATOM 0 H GLU A 69 -2.336 4.320 -9.989 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.715 4.898 -12.751 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.655 3.986 -11.462 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.426 2.414 -11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.552 2.590 -14.039 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.801 4.172 -13.970 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.299 2.423 -11.537 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.359 1.407 -11.806 1.00 0.00 C ATOM 1085 C VAL A 70 -6.590 2.105 -12.257 1.00 0.00 C ATOM 1086 O VAL A 70 -7.482 1.521 -12.839 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.727 0.683 -10.492 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.846 -0.322 -10.753 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.518 -0.040 -9.939 1.00 0.00 C ATOM 0 H VAL A 70 -4.050 2.538 -10.555 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.992 0.705 -12.555 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.064 1.422 -9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.102 -0.830 -9.824 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.723 0.201 -11.135 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.513 -1.055 -11.488 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.789 -0.547 -9.013 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.169 -0.774 -10.665 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.724 0.679 -9.740 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.612 3.356 -11.983 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.781 4.160 -12.369 1.00 0.00 C ATOM 1101 C GLY A 71 -8.970 3.563 -11.651 1.00 0.00 C ATOM 1102 O GLY A 71 -10.039 3.414 -12.209 1.00 0.00 O ATOM 0 H GLY A 71 -5.868 3.865 -11.505 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.643 5.204 -12.089 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.928 4.137 -13.449 1.00 0.00 H new ATOM 1106 N MET A 72 -8.748 3.223 -10.395 1.00 0.00 N ATOM 1107 CA MET A 72 -9.856 2.616 -9.600 1.00 0.00 C ATOM 1108 C MET A 72 -10.783 3.642 -9.058 1.00 0.00 C ATOM 1109 O MET A 72 -11.981 3.568 -9.222 1.00 0.00 O ATOM 1110 CB MET A 72 -9.261 1.858 -8.377 1.00 0.00 C ATOM 1111 CG MET A 72 -10.265 0.847 -7.884 1.00 0.00 C ATOM 1112 SD MET A 72 -9.688 -0.434 -6.700 1.00 0.00 S ATOM 1113 CE MET A 72 -8.140 0.241 -6.189 1.00 0.00 C ATOM 0 H MET A 72 -7.863 3.340 -9.901 1.00 0.00 H new ATOM 0 HA MET A 72 -10.400 1.952 -10.272 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.334 1.360 -8.659 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.016 2.562 -7.582 1.00 0.00 H new ATOM 0 HG2 MET A 72 -11.084 1.391 -7.414 1.00 0.00 H new ATOM 0 HG3 MET A 72 -10.679 0.336 -8.753 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.772 -0.308 -5.322 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.420 0.157 -7.003 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.270 1.291 -5.926 1.00 0.00 H new ATOM 1123 N MET A 73 -10.187 4.568 -8.421 1.00 0.00 N ATOM 1124 CA MET A 73 -10.940 5.671 -7.802 1.00 0.00 C ATOM 1125 C MET A 73 -11.871 5.080 -6.782 1.00 0.00 C ATOM 1126 O MET A 73 -12.650 4.203 -7.088 1.00 0.00 O ATOM 1127 CB MET A 73 -11.749 6.447 -8.855 1.00 0.00 C ATOM 1128 CG MET A 73 -10.794 7.035 -9.898 1.00 0.00 C ATOM 1129 SD MET A 73 -11.484 8.236 -11.072 1.00 0.00 S ATOM 1130 CE MET A 73 -10.005 9.264 -11.275 1.00 0.00 C ATOM 0 H MET A 73 -9.176 4.618 -8.293 1.00 0.00 H new ATOM 0 HA MET A 73 -10.246 6.370 -7.335 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.469 5.785 -9.337 1.00 0.00 H new ATOM 0 HB3 MET A 73 -12.319 7.244 -8.377 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.970 7.515 -9.369 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.369 6.210 -10.470 1.00 0.00 H new ATOM 0 HE1 MET A 73 -10.219 10.076 -11.970 1.00 0.00 H new ATOM 0 HE2 MET A 73 -9.716 9.680 -10.310 1.00 0.00 H new ATOM 0 HE3 MET A 73 -9.190 8.656 -11.667 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.765 5.558 -5.578 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.640 5.033 -4.490 1.00 0.00 C ATOM 1142 C LYS A 74 -14.034 4.663 -5.001 1.00 0.00 C ATOM 1143 O LYS A 74 -14.568 3.623 -4.672 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.795 6.108 -3.389 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.053 7.486 -4.029 1.00 0.00 C ATOM 1146 CD LYS A 74 -13.079 8.553 -2.927 1.00 0.00 C ATOM 1147 CE LYS A 74 -12.950 9.940 -3.564 1.00 0.00 C ATOM 1148 NZ LYS A 74 -13.030 11.002 -2.521 1.00 0.00 N ATOM 0 H LYS A 74 -11.112 6.289 -5.296 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.166 4.134 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.620 5.845 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.894 6.145 -2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.274 7.715 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.000 7.479 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.008 8.485 -2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.264 8.386 -2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.002 10.016 -4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.741 10.084 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.941 11.936 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.945 10.939 -2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.260 10.873 -1.834 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.585 5.526 -5.794 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.941 5.254 -6.345 1.00 0.00 C ATOM 1164 C GLY A 75 -16.268 6.239 -7.469 1.00 0.00 C ATOM 1165 O GLY A 75 -15.855 7.378 -7.327 1.00 0.00 O ATOM 1166 OXT GLY A 75 -16.914 5.798 -8.405 1.00 0.00 O ATOM 0 H GLY A 75 -14.162 6.406 -6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.989 4.233 -6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.685 5.336 -5.553 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -2.800 -5.691 -3.917 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.756 3.253 -3.310 1.00 0.00 ZN