USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 553 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 15 CYS SG : rot -168:sc= -0.577 USER MOD Set 1.2: A 59 TYR OH : rot -123:sc= 0.143 USER MOD Single : A 1 MET CE :methyl -142:sc= -1.04 (180deg=-3.11!) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.421 (180deg=-0.707) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 14 HIS : no HD1:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0464 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 31 TYR OH : rot 13:sc= 1.23 USER MOD Single : A 34 SER OG : rot 40:sc= 1.12 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.528 K(o=0.53,f=-0.43) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 2:sc= 0.639 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.885 1.699 2.403 1.00 0.00 N ATOM 2 CA MET A 1 13.315 3.053 2.574 1.00 0.00 C ATOM 3 C MET A 1 11.872 2.905 3.046 1.00 0.00 C ATOM 4 O MET A 1 11.457 1.792 3.367 1.00 0.00 O ATOM 5 CB MET A 1 13.445 3.895 1.292 1.00 0.00 C ATOM 6 CG MET A 1 14.815 4.575 1.200 1.00 0.00 C ATOM 7 SD MET A 1 15.985 3.910 -0.011 1.00 0.00 S ATOM 8 CE MET A 1 16.746 2.510 0.859 1.00 0.00 C ATOM 0 H1 MET A 1 14.596 1.526 3.142 1.00 0.00 H new ATOM 0 H2 MET A 1 13.127 0.991 2.479 1.00 0.00 H new ATOM 0 H3 MET A 1 14.334 1.627 1.468 1.00 0.00 H new ATOM 0 HA MET A 1 13.877 3.603 3.329 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.295 3.257 0.421 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.661 4.652 1.272 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.655 5.629 0.973 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.283 4.528 2.183 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.805 2.458 0.607 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.635 2.646 1.935 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.255 1.584 0.558 1.00 0.00 H new ATOM 18 N ARG A 2 11.065 3.969 3.083 1.00 0.00 N ATOM 19 CA ARG A 2 9.622 3.789 2.973 1.00 0.00 C ATOM 20 C ARG A 2 9.120 4.562 1.768 1.00 0.00 C ATOM 21 O ARG A 2 9.846 5.380 1.205 1.00 0.00 O ATOM 22 CB ARG A 2 8.900 4.129 4.291 1.00 0.00 C ATOM 23 CG ARG A 2 8.808 5.637 4.560 1.00 0.00 C ATOM 24 CD ARG A 2 9.319 6.064 5.922 1.00 0.00 C ATOM 25 NE ARG A 2 8.596 5.460 7.047 1.00 0.00 N ATOM 26 CZ ARG A 2 9.150 5.147 8.223 1.00 0.00 C ATOM 27 NH1 ARG A 2 10.432 5.405 8.462 1.00 0.00 N ATOM 28 NH2 ARG A 2 8.380 4.582 9.144 1.00 0.00 N ATOM 0 H ARG A 2 11.377 4.935 3.185 1.00 0.00 H new ATOM 0 HA ARG A 2 9.388 2.738 2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.894 3.709 4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.424 3.650 5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.373 6.166 3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.768 5.948 4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.375 5.804 6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.251 7.149 6.000 1.00 0.00 H new ATOM 0 HE ARG A 2 7.602 5.266 6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.006 5.847 7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.842 5.161 9.364 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.397 4.399 8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.771 4.331 10.052 1.00 0.00 H new ATOM 42 N TYR A 3 7.874 4.312 1.386 1.00 0.00 N ATOM 43 CA TYR A 3 7.268 4.961 0.242 1.00 0.00 C ATOM 44 C TYR A 3 5.817 5.262 0.570 1.00 0.00 C ATOM 45 O TYR A 3 5.125 4.410 1.128 1.00 0.00 O ATOM 46 CB TYR A 3 7.403 4.069 -0.992 1.00 0.00 C ATOM 47 CG TYR A 3 8.842 3.723 -1.329 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.600 4.599 -2.126 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.434 2.551 -0.813 1.00 0.00 C ATOM 50 CE1 TYR A 3 10.938 4.303 -2.425 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.774 2.244 -1.118 1.00 0.00 C ATOM 52 CZ TYR A 3 11.523 3.117 -1.941 1.00 0.00 C ATOM 53 OH TYR A 3 12.781 2.802 -2.347 1.00 0.00 O ATOM 0 H TYR A 3 7.259 3.653 1.864 1.00 0.00 H new ATOM 0 HA TYR A 3 7.774 5.900 0.018 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.844 3.148 -0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.948 4.571 -1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.150 5.503 -2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.859 1.888 -0.183 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.520 4.985 -3.027 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.228 1.346 -0.725 1.00 0.00 H new ATOM 0 HH TYR A 3 13.057 1.958 -1.933 1.00 0.00 H new ATOM 63 N VAL A 4 5.375 6.470 0.236 1.00 0.00 N ATOM 64 CA VAL A 4 4.049 7.011 0.468 1.00 0.00 C ATOM 65 C VAL A 4 3.284 6.879 -0.851 1.00 0.00 C ATOM 66 O VAL A 4 3.424 7.692 -1.766 1.00 0.00 O ATOM 67 CB VAL A 4 4.173 8.427 1.090 1.00 0.00 C ATOM 68 CG1 VAL A 4 4.929 9.467 0.255 1.00 0.00 C ATOM 69 CG2 VAL A 4 2.822 9.033 1.475 1.00 0.00 C ATOM 0 H VAL A 4 5.980 7.141 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 4 3.460 6.470 1.208 1.00 0.00 H new ATOM 0 HB VAL A 4 4.773 8.220 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.951 10.416 0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.949 9.123 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.425 9.602 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.976 10.023 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.194 9.116 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.331 8.392 2.208 1.00 0.00 H new ATOM 79 N LEU A 5 2.530 5.785 -0.989 1.00 0.00 N ATOM 80 CA LEU A 5 1.758 5.454 -2.191 1.00 0.00 C ATOM 81 C LEU A 5 0.497 6.332 -2.248 1.00 0.00 C ATOM 82 O LEU A 5 0.215 7.063 -1.296 1.00 0.00 O ATOM 83 CB LEU A 5 1.378 3.961 -2.176 1.00 0.00 C ATOM 84 CG LEU A 5 2.454 2.957 -1.728 1.00 0.00 C ATOM 85 CD1 LEU A 5 1.888 1.537 -1.818 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.739 3.052 -2.550 1.00 0.00 C ATOM 0 H LEU A 5 2.437 5.088 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 5 2.362 5.647 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.514 3.841 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.059 3.685 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 5 2.718 3.203 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.647 0.822 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.016 1.451 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.597 1.326 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.459 2.319 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.516 2.852 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.160 4.053 -2.453 1.00 0.00 H new ATOM 98 N TYR A 6 -0.330 6.235 -3.289 1.00 0.00 N ATOM 99 CA TYR A 6 -1.673 6.812 -3.318 1.00 0.00 C ATOM 100 C TYR A 6 -2.608 5.804 -3.976 1.00 0.00 C ATOM 101 O TYR A 6 -2.430 5.486 -5.152 1.00 0.00 O ATOM 102 CB TYR A 6 -1.686 8.179 -4.013 1.00 0.00 C ATOM 103 CG TYR A 6 -2.963 8.957 -3.753 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.390 9.200 -2.433 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.741 9.431 -4.821 1.00 0.00 C ATOM 106 CE1 TYR A 6 -4.620 9.832 -2.183 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.968 10.067 -4.574 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.440 10.236 -3.255 1.00 0.00 C ATOM 109 OH TYR A 6 -6.684 10.740 -3.025 1.00 0.00 O ATOM 0 H TYR A 6 -0.081 5.746 -4.149 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.021 7.005 -2.303 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.833 8.764 -3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.564 8.037 -5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.766 8.898 -1.605 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.394 9.306 -5.836 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.938 10.009 -1.166 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.557 10.431 -5.403 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.108 10.968 -3.879 1.00 0.00 H new ATOM 119 N VAL A 7 -3.508 5.211 -3.186 1.00 0.00 N ATOM 120 CA VAL A 7 -4.299 4.036 -3.589 1.00 0.00 C ATOM 121 C VAL A 7 -5.795 4.358 -3.424 1.00 0.00 C ATOM 122 O VAL A 7 -6.336 4.167 -2.334 1.00 0.00 O ATOM 123 CB VAL A 7 -3.811 2.755 -2.880 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.640 1.502 -3.206 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.362 2.427 -3.273 1.00 0.00 C ATOM 0 H VAL A 7 -3.713 5.533 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.150 3.813 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.911 2.982 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.232 0.646 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.675 1.661 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.602 1.309 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.042 1.520 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.303 2.274 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.712 3.254 -2.988 1.00 0.00 H new ATOM 135 N PRO A 8 -6.452 4.956 -4.434 1.00 0.00 N ATOM 136 CA PRO A 8 -7.829 5.424 -4.327 1.00 0.00 C ATOM 137 C PRO A 8 -8.876 4.382 -3.908 1.00 0.00 C ATOM 138 O PRO A 8 -9.930 4.790 -3.412 1.00 0.00 O ATOM 139 CB PRO A 8 -8.172 6.058 -5.678 1.00 0.00 C ATOM 140 CG PRO A 8 -7.134 5.472 -6.634 1.00 0.00 C ATOM 141 CD PRO A 8 -5.915 5.308 -5.742 1.00 0.00 C ATOM 0 HA PRO A 8 -7.875 6.133 -3.500 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.187 5.810 -5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.108 7.145 -5.637 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.461 4.520 -7.053 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.935 6.138 -7.474 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.251 4.530 -6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.333 6.228 -5.695 1.00 0.00 H new ATOM 149 N ASP A 9 -8.643 3.071 -4.051 1.00 0.00 N ATOM 150 CA ASP A 9 -9.678 2.078 -3.725 1.00 0.00 C ATOM 151 C ASP A 9 -9.940 1.949 -2.234 1.00 0.00 C ATOM 152 O ASP A 9 -10.910 1.304 -1.848 1.00 0.00 O ATOM 153 CB ASP A 9 -9.351 0.694 -4.304 1.00 0.00 C ATOM 154 CG ASP A 9 -10.448 0.280 -5.282 1.00 0.00 C ATOM 155 OD1 ASP A 9 -10.483 0.848 -6.397 1.00 0.00 O ATOM 156 OD2 ASP A 9 -11.300 -0.559 -4.931 1.00 0.00 O ATOM 0 H ASP A 9 -7.763 2.677 -4.384 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.587 2.458 -4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.387 0.719 -4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.270 -0.038 -3.501 1.00 0.00 H new ATOM 161 N ILE A 10 -9.116 2.549 -1.369 1.00 0.00 N ATOM 162 CA ILE A 10 -9.195 2.318 0.073 1.00 0.00 C ATOM 163 C ILE A 10 -10.474 2.947 0.682 1.00 0.00 C ATOM 164 O ILE A 10 -10.738 2.794 1.870 1.00 0.00 O ATOM 165 CB ILE A 10 -7.894 2.755 0.779 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.663 2.111 0.126 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.836 2.265 2.247 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.362 2.841 0.452 1.00 0.00 C ATOM 0 H ILE A 10 -8.383 3.202 -1.647 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.286 1.245 0.245 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.890 3.843 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.584 1.075 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.801 2.092 -0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.903 2.596 2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.679 2.678 2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.885 1.176 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.529 2.337 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.423 3.870 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.203 2.838 1.530 1.00 0.00 H new ATOM 180 N SER A 11 -11.302 3.633 -0.109 1.00 0.00 N ATOM 181 CA SER A 11 -12.484 4.378 0.314 1.00 0.00 C ATOM 182 C SER A 11 -13.602 3.541 0.966 1.00 0.00 C ATOM 183 O SER A 11 -14.617 4.124 1.357 1.00 0.00 O ATOM 184 CB SER A 11 -13.012 5.170 -0.891 1.00 0.00 C ATOM 185 OG SER A 11 -13.115 6.554 -0.592 1.00 0.00 O ATOM 0 H SER A 11 -11.155 3.685 -1.117 1.00 0.00 H new ATOM 0 HA SER A 11 -12.164 5.041 1.118 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.346 5.028 -1.742 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.989 4.785 -1.183 1.00 0.00 H new ATOM 0 HG SER A 11 -13.452 7.034 -1.377 1.00 0.00 H new ATOM 191 N CYS A 12 -13.439 2.228 1.143 1.00 0.00 N ATOM 192 CA CYS A 12 -14.236 1.435 2.077 1.00 0.00 C ATOM 193 C CYS A 12 -13.312 0.691 3.050 1.00 0.00 C ATOM 194 O CYS A 12 -12.231 0.248 2.676 1.00 0.00 O ATOM 195 CB CYS A 12 -15.109 0.435 1.311 1.00 0.00 C ATOM 196 SG CYS A 12 -16.468 1.261 0.448 1.00 0.00 S ATOM 0 H CYS A 12 -12.743 1.682 0.636 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.885 2.103 2.644 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.496 -0.107 0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -15.513 -0.302 2.005 1.00 0.00 H new ATOM 0 HG CYS A 12 -17.179 0.378 -0.188 1.00 0.00 H new ATOM 202 N ASN A 13 -13.750 0.459 4.288 1.00 0.00 N ATOM 203 CA ASN A 13 -12.905 -0.129 5.335 1.00 0.00 C ATOM 204 C ASN A 13 -12.395 -1.538 5.021 1.00 0.00 C ATOM 205 O ASN A 13 -11.298 -1.915 5.438 1.00 0.00 O ATOM 206 CB ASN A 13 -13.649 -0.110 6.672 1.00 0.00 C ATOM 207 CG ASN A 13 -12.709 -0.450 7.819 1.00 0.00 C ATOM 208 OD1 ASN A 13 -11.624 0.102 7.924 1.00 0.00 O ATOM 209 ND2 ASN A 13 -13.098 -1.327 8.725 1.00 0.00 N ATOM 0 H ASN A 13 -14.699 0.672 4.596 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.012 0.493 5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.088 0.874 6.835 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.471 -0.825 6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.492 -1.546 9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.004 -1.786 8.634 1.00 0.00 H new ATOM 216 N HIS A 14 -13.128 -2.307 4.218 1.00 0.00 N ATOM 217 CA HIS A 14 -12.641 -3.589 3.715 1.00 0.00 C ATOM 218 C HIS A 14 -11.352 -3.418 2.911 1.00 0.00 C ATOM 219 O HIS A 14 -10.411 -4.205 3.028 1.00 0.00 O ATOM 220 CB HIS A 14 -13.718 -4.239 2.849 1.00 0.00 C ATOM 221 CG HIS A 14 -13.337 -5.628 2.421 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.053 -6.055 1.142 1.00 0.00 N ATOM 223 CD2 HIS A 14 -13.124 -6.682 3.265 1.00 0.00 C ATOM 224 CE1 HIS A 14 -12.664 -7.337 1.217 1.00 0.00 C ATOM 225 NE2 HIS A 14 -12.706 -7.771 2.492 1.00 0.00 N ATOM 0 H HIS A 14 -14.066 -2.062 3.901 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.418 -4.231 4.567 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.656 -4.275 3.404 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -13.893 -3.624 1.967 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.255 -6.675 4.337 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.360 -7.938 0.373 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.478 -8.707 2.827 1.00 0.00 H new ATOM 233 N CYS A 15 -11.299 -2.358 2.112 1.00 0.00 N ATOM 234 CA CYS A 15 -10.217 -2.046 1.211 1.00 0.00 C ATOM 235 C CYS A 15 -8.914 -1.732 1.948 1.00 0.00 C ATOM 236 O CYS A 15 -7.837 -1.868 1.374 1.00 0.00 O ATOM 237 CB CYS A 15 -10.625 -0.856 0.367 1.00 0.00 C ATOM 238 SG CYS A 15 -12.255 -1.077 -0.398 1.00 0.00 S ATOM 0 H CYS A 15 -12.048 -1.667 2.080 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.027 -2.921 0.590 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.637 0.040 0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.880 -0.694 -0.412 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.436 -0.163 -1.305 1.00 0.00 H new ATOM 244 N LYS A 16 -8.984 -1.328 3.216 1.00 0.00 N ATOM 245 CA LYS A 16 -7.804 -1.232 4.064 1.00 0.00 C ATOM 246 C LYS A 16 -7.202 -2.628 4.218 1.00 0.00 C ATOM 247 O LYS A 16 -6.058 -2.834 3.812 1.00 0.00 O ATOM 248 CB LYS A 16 -8.158 -0.524 5.387 1.00 0.00 C ATOM 249 CG LYS A 16 -6.983 -0.548 6.376 1.00 0.00 C ATOM 250 CD LYS A 16 -6.982 0.688 7.284 1.00 0.00 C ATOM 251 CE LYS A 16 -5.773 0.729 8.228 1.00 0.00 C ATOM 252 NZ LYS A 16 -5.944 -0.071 9.453 1.00 0.00 N ATOM 0 H LYS A 16 -9.853 -1.061 3.678 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.031 -0.609 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.441 0.509 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.024 -1.008 5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.040 -1.449 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.044 -0.596 5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.987 1.587 6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.899 0.701 7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.894 0.371 7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.577 1.764 8.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.089 0.005 10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.763 0.283 9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.101 -1.067 9.198 1.00 0.00 H new ATOM 266 N MET A 17 -7.959 -3.599 4.743 1.00 0.00 N ATOM 267 CA MET A 17 -7.523 -4.944 5.008 1.00 0.00 C ATOM 268 C MET A 17 -7.062 -5.637 3.723 1.00 0.00 C ATOM 269 O MET A 17 -6.032 -6.309 3.748 1.00 0.00 O ATOM 270 CB MET A 17 -8.688 -5.637 5.700 1.00 0.00 C ATOM 271 CG MET A 17 -8.301 -7.069 5.975 1.00 0.00 C ATOM 272 SD MET A 17 -9.357 -8.004 7.119 1.00 0.00 S ATOM 273 CE MET A 17 -10.952 -7.969 6.251 1.00 0.00 C ATOM 0 H MET A 17 -8.934 -3.445 5.001 1.00 0.00 H new ATOM 0 HA MET A 17 -6.648 -4.975 5.657 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.933 -5.126 6.631 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.578 -5.600 5.072 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.277 -7.602 5.024 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.285 -7.075 6.370 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.697 -8.506 6.838 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.271 -6.935 6.118 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.846 -8.445 5.276 1.00 0.00 H new ATOM 283 N ARG A 18 -7.754 -5.410 2.599 1.00 0.00 N ATOM 284 CA ARG A 18 -7.399 -5.894 1.273 1.00 0.00 C ATOM 285 C ARG A 18 -5.926 -5.684 0.953 1.00 0.00 C ATOM 286 O ARG A 18 -5.306 -6.571 0.372 1.00 0.00 O ATOM 287 CB ARG A 18 -8.267 -5.129 0.266 1.00 0.00 C ATOM 288 CG ARG A 18 -9.680 -5.724 0.110 1.00 0.00 C ATOM 289 CD ARG A 18 -9.605 -6.563 -1.151 1.00 0.00 C ATOM 290 NE ARG A 18 -10.780 -7.374 -1.477 1.00 0.00 N ATOM 291 CZ ARG A 18 -10.711 -8.661 -1.836 1.00 0.00 C ATOM 292 NH1 ARG A 18 -9.615 -9.379 -1.620 1.00 0.00 N ATOM 293 NH2 ARG A 18 -11.733 -9.245 -2.440 1.00 0.00 N ATOM 0 H ARG A 18 -8.613 -4.859 2.597 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.574 -6.969 1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.350 -4.090 0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.771 -5.127 -0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.952 -6.330 0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.432 -4.940 0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.409 -5.897 -1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.746 -7.229 -1.065 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.699 -6.935 -1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.805 -8.951 -1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.584 -10.359 -1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.581 -8.714 -2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.672 -10.227 -2.711 1.00 0.00 H new ATOM 307 N ILE A 19 -5.383 -4.517 1.299 1.00 0.00 N ATOM 308 CA ILE A 19 -3.984 -4.200 1.084 1.00 0.00 C ATOM 309 C ILE A 19 -3.158 -4.887 2.166 1.00 0.00 C ATOM 310 O ILE A 19 -2.277 -5.679 1.837 1.00 0.00 O ATOM 311 CB ILE A 19 -3.782 -2.673 1.042 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.571 -2.091 -0.147 1.00 0.00 C ATOM 313 CG2 ILE A 19 -2.290 -2.312 0.926 1.00 0.00 C ATOM 314 CD1 ILE A 19 -4.570 -0.571 -0.130 1.00 0.00 C ATOM 0 H ILE A 19 -5.911 -3.764 1.739 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.645 -4.574 0.118 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.152 -2.243 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.136 -2.445 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.598 -2.455 -0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.179 -1.228 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.751 -2.710 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.882 -2.742 0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.136 -0.197 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.029 -0.217 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.544 -0.207 -0.188 1.00 0.00 H new ATOM 326 N SER A 20 -3.410 -4.594 3.446 1.00 0.00 N ATOM 327 CA SER A 20 -2.567 -5.028 4.542 1.00 0.00 C ATOM 328 C SER A 20 -2.291 -6.520 4.523 1.00 0.00 C ATOM 329 O SER A 20 -1.148 -6.926 4.701 1.00 0.00 O ATOM 330 CB SER A 20 -3.220 -4.665 5.866 1.00 0.00 C ATOM 331 OG SER A 20 -3.921 -3.429 5.818 1.00 0.00 O ATOM 0 H SER A 20 -4.215 -4.043 3.743 1.00 0.00 H new ATOM 0 HA SER A 20 -1.612 -4.516 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.911 -5.458 6.154 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.455 -4.613 6.640 1.00 0.00 H new ATOM 0 HG SER A 20 -4.322 -3.246 6.693 1.00 0.00 H new ATOM 337 N LYS A 21 -3.323 -7.323 4.259 1.00 0.00 N ATOM 338 CA LYS A 21 -3.202 -8.766 4.254 1.00 0.00 C ATOM 339 C LYS A 21 -2.125 -9.228 3.268 1.00 0.00 C ATOM 340 O LYS A 21 -1.312 -10.083 3.605 1.00 0.00 O ATOM 341 CB LYS A 21 -4.582 -9.351 3.944 1.00 0.00 C ATOM 342 CG LYS A 21 -4.565 -10.880 3.910 1.00 0.00 C ATOM 343 CD LYS A 21 -5.998 -11.395 4.014 1.00 0.00 C ATOM 344 CE LYS A 21 -5.990 -12.917 3.933 1.00 0.00 C ATOM 345 NZ LYS A 21 -7.258 -13.475 4.419 1.00 0.00 N ATOM 0 H LYS A 21 -4.261 -6.984 4.044 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.876 -9.128 5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.295 -9.014 4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.928 -8.971 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.105 -11.231 2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.965 -11.268 4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.446 -11.071 4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.606 -10.979 3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.822 -13.229 2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.164 -13.312 4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.228 -14.513 4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.404 -13.194 5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.041 -13.114 3.838 1.00 0.00 H new ATOM 359 N ALA A 22 -2.102 -8.638 2.072 1.00 0.00 N ATOM 360 CA ALA A 22 -1.088 -8.911 1.068 1.00 0.00 C ATOM 361 C ALA A 22 0.278 -8.367 1.497 1.00 0.00 C ATOM 362 O ALA A 22 1.291 -9.014 1.247 1.00 0.00 O ATOM 363 CB ALA A 22 -1.524 -8.298 -0.263 1.00 0.00 C ATOM 0 H ALA A 22 -2.796 -7.952 1.776 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.984 -9.990 0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.767 -8.499 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.473 -8.736 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.643 -7.221 -0.146 1.00 0.00 H new ATOM 369 N LEU A 23 0.337 -7.191 2.135 1.00 0.00 N ATOM 370 CA LEU A 23 1.592 -6.586 2.586 1.00 0.00 C ATOM 371 C LEU A 23 2.307 -7.496 3.594 1.00 0.00 C ATOM 372 O LEU A 23 3.519 -7.696 3.517 1.00 0.00 O ATOM 373 CB LEU A 23 1.353 -5.199 3.207 1.00 0.00 C ATOM 374 CG LEU A 23 0.849 -4.093 2.268 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.722 -2.785 3.063 1.00 0.00 C ATOM 376 CD2 LEU A 23 1.775 -3.862 1.069 1.00 0.00 C ATOM 0 H LEU A 23 -0.488 -6.632 2.352 1.00 0.00 H new ATOM 0 HA LEU A 23 2.229 -6.464 1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.632 -5.310 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.288 -4.863 3.656 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.116 -4.413 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.365 -1.993 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.015 -2.924 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.696 -2.509 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.367 -3.069 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.764 -3.571 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.854 -4.781 0.488 1.00 0.00 H new ATOM 388 N GLU A 24 1.560 -8.044 4.546 1.00 0.00 N ATOM 389 CA GLU A 24 2.039 -8.992 5.551 1.00 0.00 C ATOM 390 C GLU A 24 2.705 -10.220 4.909 1.00 0.00 C ATOM 391 O GLU A 24 3.672 -10.754 5.452 1.00 0.00 O ATOM 392 CB GLU A 24 0.839 -9.424 6.412 1.00 0.00 C ATOM 393 CG GLU A 24 0.254 -8.261 7.237 1.00 0.00 C ATOM 394 CD GLU A 24 0.920 -8.029 8.586 1.00 0.00 C ATOM 395 OE1 GLU A 24 1.877 -8.741 8.960 1.00 0.00 O ATOM 396 OE2 GLU A 24 0.429 -7.132 9.312 1.00 0.00 O ATOM 0 H GLU A 24 0.567 -7.834 4.644 1.00 0.00 H new ATOM 0 HA GLU A 24 2.798 -8.507 6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.062 -9.834 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.148 -10.223 7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.329 -7.346 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.807 -8.449 7.400 1.00 0.00 H new ATOM 403 N GLU A 25 2.218 -10.675 3.749 1.00 0.00 N ATOM 404 CA GLU A 25 2.833 -11.782 3.014 1.00 0.00 C ATOM 405 C GLU A 25 4.012 -11.289 2.176 1.00 0.00 C ATOM 406 O GLU A 25 5.032 -11.974 2.077 1.00 0.00 O ATOM 407 CB GLU A 25 1.801 -12.507 2.134 1.00 0.00 C ATOM 408 CG GLU A 25 0.692 -13.085 3.020 1.00 0.00 C ATOM 409 CD GLU A 25 -0.084 -14.230 2.371 1.00 0.00 C ATOM 410 OE1 GLU A 25 -1.114 -13.980 1.705 1.00 0.00 O ATOM 411 OE2 GLU A 25 0.271 -15.403 2.643 1.00 0.00 O ATOM 0 H GLU A 25 1.390 -10.287 3.296 1.00 0.00 H new ATOM 0 HA GLU A 25 3.210 -12.498 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.377 -11.815 1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.284 -13.305 1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.132 -13.440 3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.005 -12.288 3.280 1.00 0.00 H new ATOM 418 N LEU A 26 3.917 -10.085 1.610 1.00 0.00 N ATOM 419 CA LEU A 26 4.921 -9.432 0.793 1.00 0.00 C ATOM 420 C LEU A 26 6.219 -9.225 1.580 1.00 0.00 C ATOM 421 O LEU A 26 7.290 -9.137 0.985 1.00 0.00 O ATOM 422 CB LEU A 26 4.291 -8.106 0.335 1.00 0.00 C ATOM 423 CG LEU A 26 5.208 -7.195 -0.465 1.00 0.00 C ATOM 424 CD1 LEU A 26 5.565 -7.748 -1.845 1.00 0.00 C ATOM 425 CD2 LEU A 26 4.549 -5.827 -0.618 1.00 0.00 C ATOM 0 H LEU A 26 3.082 -9.510 1.722 1.00 0.00 H new ATOM 0 HA LEU A 26 5.203 -10.037 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.411 -8.330 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.945 -7.564 1.215 1.00 0.00 H new ATOM 0 HG LEU A 26 6.143 -7.120 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.221 -7.046 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.074 -8.705 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.655 -7.887 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.203 -5.170 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.598 -5.937 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.374 -5.395 0.367 1.00 0.00 H new ATOM 437 N GLY A 27 6.154 -9.176 2.912 1.00 0.00 N ATOM 438 CA GLY A 27 7.340 -9.068 3.751 1.00 0.00 C ATOM 439 C GLY A 27 7.679 -7.626 4.071 1.00 0.00 C ATOM 440 O GLY A 27 8.849 -7.302 4.291 1.00 0.00 O ATOM 0 H GLY A 27 5.279 -9.210 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.179 -9.617 4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.185 -9.536 3.246 1.00 0.00 H new ATOM 444 N VAL A 28 6.679 -6.743 4.095 1.00 0.00 N ATOM 445 CA VAL A 28 6.861 -5.470 4.776 1.00 0.00 C ATOM 446 C VAL A 28 7.017 -5.773 6.280 1.00 0.00 C ATOM 447 O VAL A 28 6.671 -6.863 6.741 1.00 0.00 O ATOM 448 CB VAL A 28 5.675 -4.544 4.435 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.420 -4.864 5.249 1.00 0.00 C ATOM 450 CG2 VAL A 28 6.050 -3.072 4.622 1.00 0.00 C ATOM 0 H VAL A 28 5.765 -6.882 3.665 1.00 0.00 H new ATOM 0 HA VAL A 28 7.756 -4.938 4.453 1.00 0.00 H new ATOM 0 HB VAL A 28 5.443 -4.727 3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.619 -4.181 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.109 -5.890 5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.636 -4.750 6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.194 -2.444 4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.339 -2.899 5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.885 -2.823 3.967 1.00 0.00 H new ATOM 460 N LYS A 29 7.494 -4.810 7.070 1.00 0.00 N ATOM 461 CA LYS A 29 7.606 -4.919 8.517 1.00 0.00 C ATOM 462 C LYS A 29 7.010 -3.751 9.269 1.00 0.00 C ATOM 463 O LYS A 29 6.631 -3.865 10.435 1.00 0.00 O ATOM 464 CB LYS A 29 9.086 -5.046 8.838 1.00 0.00 C ATOM 465 CG LYS A 29 10.009 -3.916 8.338 1.00 0.00 C ATOM 466 CD LYS A 29 11.220 -4.498 7.606 1.00 0.00 C ATOM 467 CE LYS A 29 10.845 -5.035 6.216 1.00 0.00 C ATOM 468 NZ LYS A 29 12.005 -5.644 5.533 1.00 0.00 N ATOM 0 H LYS A 29 7.820 -3.913 6.709 1.00 0.00 H new ATOM 0 HA LYS A 29 7.034 -5.788 8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.193 -5.117 9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.444 -5.987 8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.456 -3.255 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.342 -3.311 9.181 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.986 -3.730 7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.652 -5.302 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.051 -5.775 6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.450 -4.222 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.713 -5.995 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.753 -4.931 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.367 -6.436 6.102 1.00 0.00 H new ATOM 482 N ASN A 30 6.947 -2.609 8.604 1.00 0.00 N ATOM 483 CA ASN A 30 6.456 -1.370 9.160 1.00 0.00 C ATOM 484 C ASN A 30 5.705 -0.708 8.020 1.00 0.00 C ATOM 485 O ASN A 30 6.277 -0.467 6.963 1.00 0.00 O ATOM 486 CB ASN A 30 7.636 -0.528 9.665 1.00 0.00 C ATOM 487 CG ASN A 30 7.292 0.612 10.608 1.00 0.00 C ATOM 488 OD1 ASN A 30 6.039 1.004 10.737 1.00 0.00 O flip ATOM 489 ND2 ASN A 30 8.173 1.179 11.247 1.00 0.00 N flip ATOM 0 H ASN A 30 7.247 -2.522 7.633 1.00 0.00 H new ATOM 0 HA ASN A 30 5.802 -1.505 10.021 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.338 -1.191 10.171 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.155 -0.113 8.801 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.144 0.881 11.152 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.934 1.948 11.873 1.00 0.00 H new ATOM 496 N TYR A 31 4.406 -0.539 8.183 1.00 0.00 N ATOM 497 CA TYR A 31 3.510 -0.008 7.171 1.00 0.00 C ATOM 498 C TYR A 31 2.278 0.581 7.835 1.00 0.00 C ATOM 499 O TYR A 31 1.987 0.292 8.997 1.00 0.00 O ATOM 500 CB TYR A 31 3.107 -1.112 6.184 1.00 0.00 C ATOM 501 CG TYR A 31 2.161 -2.163 6.721 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.641 -3.274 7.433 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.785 -2.026 6.486 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.759 -4.259 7.905 1.00 0.00 C ATOM 505 CE2 TYR A 31 -0.110 -2.976 6.995 1.00 0.00 C ATOM 506 CZ TYR A 31 0.369 -4.092 7.711 1.00 0.00 C ATOM 507 OH TYR A 31 -0.529 -4.983 8.200 1.00 0.00 O ATOM 0 H TYR A 31 3.929 -0.776 9.053 1.00 0.00 H new ATOM 0 HA TYR A 31 4.025 0.777 6.618 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.645 -0.645 5.315 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.012 -1.609 5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.700 -3.372 7.620 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.416 -1.188 5.913 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.138 -5.135 8.411 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.171 -2.853 6.838 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.084 -5.579 8.839 1.00 0.00 H new ATOM 517 N GLU A 32 1.506 1.340 7.076 1.00 0.00 N ATOM 518 CA GLU A 32 0.134 1.655 7.425 1.00 0.00 C ATOM 519 C GLU A 32 -0.683 1.829 6.150 1.00 0.00 C ATOM 520 O GLU A 32 -0.141 1.880 5.046 1.00 0.00 O ATOM 521 CB GLU A 32 0.036 2.895 8.349 1.00 0.00 C ATOM 522 CG GLU A 32 -0.449 2.566 9.775 1.00 0.00 C ATOM 523 CD GLU A 32 -1.867 1.976 9.862 1.00 0.00 C ATOM 524 OE1 GLU A 32 -2.318 1.222 8.974 1.00 0.00 O ATOM 525 OE2 GLU A 32 -2.541 2.135 10.904 1.00 0.00 O ATOM 0 H GLU A 32 1.816 1.756 6.198 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.279 0.825 7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.014 3.372 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.645 3.619 7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.249 1.861 10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.414 3.477 10.373 1.00 0.00 H new ATOM 532 N VAL A 33 -1.996 1.918 6.319 1.00 0.00 N ATOM 533 CA VAL A 33 -3.020 2.152 5.323 1.00 0.00 C ATOM 534 C VAL A 33 -4.063 3.053 6.001 1.00 0.00 C ATOM 535 O VAL A 33 -4.163 3.067 7.231 1.00 0.00 O ATOM 536 CB VAL A 33 -3.622 0.793 4.902 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.731 0.992 3.855 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.574 -0.228 4.414 1.00 0.00 C ATOM 0 H VAL A 33 -2.404 1.818 7.248 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.640 2.631 4.421 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.055 0.361 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.142 0.023 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.522 1.613 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.316 1.482 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.073 -1.157 4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.049 0.175 3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.859 -0.425 5.212 1.00 0.00 H new ATOM 548 N SER A 34 -4.890 3.781 5.248 1.00 0.00 N ATOM 549 CA SER A 34 -6.040 4.471 5.834 1.00 0.00 C ATOM 550 C SER A 34 -7.191 4.691 4.835 1.00 0.00 C ATOM 551 O SER A 34 -6.957 4.961 3.656 1.00 0.00 O ATOM 552 CB SER A 34 -5.515 5.764 6.481 1.00 0.00 C ATOM 553 OG SER A 34 -5.183 5.517 7.835 1.00 0.00 O ATOM 0 H SER A 34 -4.787 3.907 4.241 1.00 0.00 H new ATOM 0 HA SER A 34 -6.502 3.848 6.599 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.639 6.123 5.941 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.271 6.547 6.418 1.00 0.00 H new ATOM 0 HG SER A 34 -4.754 4.639 7.912 1.00 0.00 H new ATOM 559 N VAL A 35 -8.433 4.609 5.306 1.00 0.00 N ATOM 560 CA VAL A 35 -9.652 4.845 4.525 1.00 0.00 C ATOM 561 C VAL A 35 -9.800 6.305 4.117 1.00 0.00 C ATOM 562 O VAL A 35 -9.923 6.580 2.921 1.00 0.00 O ATOM 563 CB VAL A 35 -10.892 4.313 5.280 1.00 0.00 C ATOM 564 CG1 VAL A 35 -12.212 4.584 4.537 1.00 0.00 C ATOM 565 CG2 VAL A 35 -10.798 2.796 5.492 1.00 0.00 C ATOM 0 H VAL A 35 -8.629 4.368 6.277 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.568 4.284 3.594 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.898 4.847 6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.045 4.187 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.341 5.658 4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.186 4.099 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.683 2.448 6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.737 2.297 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.908 2.565 6.077 1.00 0.00 H new ATOM 575 N GLU A 36 -9.784 7.233 5.076 1.00 0.00 N ATOM 576 CA GLU A 36 -10.017 8.651 4.820 1.00 0.00 C ATOM 577 C GLU A 36 -9.027 9.135 3.764 1.00 0.00 C ATOM 578 O GLU A 36 -9.400 9.775 2.787 1.00 0.00 O ATOM 579 CB GLU A 36 -9.845 9.450 6.120 1.00 0.00 C ATOM 580 CG GLU A 36 -11.075 9.371 7.035 1.00 0.00 C ATOM 581 CD GLU A 36 -11.984 10.593 6.895 1.00 0.00 C ATOM 582 OE1 GLU A 36 -12.832 10.622 5.970 1.00 0.00 O ATOM 583 OE2 GLU A 36 -11.902 11.512 7.746 1.00 0.00 O ATOM 0 H GLU A 36 -9.608 7.018 6.057 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.033 8.799 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.973 9.077 6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.646 10.494 5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.642 8.470 6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.749 9.281 8.071 1.00 0.00 H new ATOM 590 N GLU A 37 -7.750 8.792 3.938 1.00 0.00 N ATOM 591 CA GLU A 37 -6.699 9.531 3.239 1.00 0.00 C ATOM 592 C GLU A 37 -6.346 8.847 1.894 1.00 0.00 C ATOM 593 O GLU A 37 -5.546 9.404 1.145 1.00 0.00 O ATOM 594 CB GLU A 37 -5.438 9.797 4.097 1.00 0.00 C ATOM 595 CG GLU A 37 -5.601 9.798 5.626 1.00 0.00 C ATOM 596 CD GLU A 37 -5.918 11.164 6.221 1.00 0.00 C ATOM 597 OE1 GLU A 37 -4.952 11.928 6.455 1.00 0.00 O ATOM 598 OE2 GLU A 37 -7.103 11.440 6.504 1.00 0.00 O ATOM 0 H GLU A 37 -7.425 8.033 4.537 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.111 10.518 3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.692 9.045 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.030 10.764 3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.397 9.104 5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.683 9.422 6.078 1.00 0.00 H new ATOM 605 N LYS A 38 -6.903 7.660 1.574 1.00 0.00 N ATOM 606 CA LYS A 38 -6.566 6.831 0.400 1.00 0.00 C ATOM 607 C LYS A 38 -5.062 6.588 0.242 1.00 0.00 C ATOM 608 O LYS A 38 -4.500 6.610 -0.858 1.00 0.00 O ATOM 609 CB LYS A 38 -7.249 7.386 -0.860 1.00 0.00 C ATOM 610 CG LYS A 38 -8.733 7.000 -0.839 1.00 0.00 C ATOM 611 CD LYS A 38 -9.579 7.810 -1.821 1.00 0.00 C ATOM 612 CE LYS A 38 -9.707 9.260 -1.344 1.00 0.00 C ATOM 613 NZ LYS A 38 -10.741 9.991 -2.092 1.00 0.00 N ATOM 0 H LYS A 38 -7.630 7.237 2.151 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.970 5.833 0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.143 8.470 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.770 6.987 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.830 5.940 -1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.124 7.140 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.123 7.785 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.568 7.362 -1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.949 9.273 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.749 9.767 -1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.798 10.968 -1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.497 10.000 -3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.660 9.522 -1.962 1.00 0.00 H new ATOM 627 N LYS A 39 -4.385 6.314 1.353 1.00 0.00 N ATOM 628 CA LYS A 39 -2.945 6.270 1.423 1.00 0.00 C ATOM 629 C LYS A 39 -2.489 4.988 2.108 1.00 0.00 C ATOM 630 O LYS A 39 -3.236 4.349 2.857 1.00 0.00 O ATOM 631 CB LYS A 39 -2.454 7.521 2.157 1.00 0.00 C ATOM 632 CG LYS A 39 -2.110 8.681 1.206 1.00 0.00 C ATOM 633 CD LYS A 39 -1.227 9.738 1.880 1.00 0.00 C ATOM 634 CE LYS A 39 -1.985 10.610 2.885 1.00 0.00 C ATOM 635 NZ LYS A 39 -2.779 11.665 2.222 1.00 0.00 N ATOM 0 H LYS A 39 -4.840 6.113 2.243 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.515 6.263 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.222 7.849 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.572 7.267 2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.598 8.289 0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.031 9.148 0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.403 9.240 2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.788 10.377 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.646 9.982 3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.275 11.070 3.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.275 12.230 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.147 12.281 1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.475 11.227 1.585 1.00 0.00 H new ATOM 649 N VAL A 40 -1.237 4.639 1.840 1.00 0.00 N ATOM 650 CA VAL A 40 -0.491 3.492 2.313 1.00 0.00 C ATOM 651 C VAL A 40 0.952 3.969 2.434 1.00 0.00 C ATOM 652 O VAL A 40 1.473 4.554 1.477 1.00 0.00 O ATOM 653 CB VAL A 40 -0.559 2.334 1.293 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.314 1.132 1.677 1.00 0.00 C ATOM 655 CG2 VAL A 40 -1.979 1.844 1.037 1.00 0.00 C ATOM 0 H VAL A 40 -0.666 5.215 1.222 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.893 3.123 3.256 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.165 2.773 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.219 0.356 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.355 1.446 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.011 0.739 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.958 1.031 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.414 1.487 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.582 2.664 0.646 1.00 0.00 H new ATOM 665 N VAL A 41 1.622 3.687 3.545 1.00 0.00 N ATOM 666 CA VAL A 41 3.072 3.814 3.628 1.00 0.00 C ATOM 667 C VAL A 41 3.615 2.421 3.886 1.00 0.00 C ATOM 668 O VAL A 41 3.000 1.658 4.624 1.00 0.00 O ATOM 669 CB VAL A 41 3.502 4.859 4.673 1.00 0.00 C ATOM 670 CG1 VAL A 41 5.030 5.033 4.679 1.00 0.00 C ATOM 671 CG2 VAL A 41 2.881 6.227 4.354 1.00 0.00 C ATOM 0 H VAL A 41 1.180 3.367 4.407 1.00 0.00 H new ATOM 0 HA VAL A 41 3.492 4.197 2.698 1.00 0.00 H new ATOM 0 HB VAL A 41 3.161 4.501 5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.309 5.777 5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.504 4.081 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.362 5.365 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.196 6.953 5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.211 6.556 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.794 6.144 4.363 1.00 0.00 H new ATOM 681 N VAL A 42 4.736 2.076 3.262 1.00 0.00 N ATOM 682 CA VAL A 42 5.351 0.756 3.314 1.00 0.00 C ATOM 683 C VAL A 42 6.853 0.948 3.469 1.00 0.00 C ATOM 684 O VAL A 42 7.480 1.546 2.599 1.00 0.00 O ATOM 685 CB VAL A 42 5.022 -0.027 2.021 1.00 0.00 C ATOM 686 CG1 VAL A 42 3.654 -0.710 2.156 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.043 0.853 0.749 1.00 0.00 C ATOM 0 H VAL A 42 5.260 2.733 2.685 1.00 0.00 H new ATOM 0 HA VAL A 42 4.966 0.181 4.156 1.00 0.00 H new ATOM 0 HB VAL A 42 5.808 -0.772 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.430 -1.259 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.674 -1.401 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.886 0.045 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.804 0.241 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.306 1.650 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.034 1.289 0.624 1.00 0.00 H new ATOM 697 N GLU A 43 7.417 0.504 4.587 1.00 0.00 N ATOM 698 CA GLU A 43 8.846 0.489 4.835 1.00 0.00 C ATOM 699 C GLU A 43 9.418 -0.816 4.266 1.00 0.00 C ATOM 700 O GLU A 43 9.254 -1.893 4.857 1.00 0.00 O ATOM 701 CB GLU A 43 9.111 0.652 6.338 1.00 0.00 C ATOM 702 CG GLU A 43 10.544 1.144 6.578 1.00 0.00 C ATOM 703 CD GLU A 43 11.013 0.738 7.972 1.00 0.00 C ATOM 704 OE1 GLU A 43 10.731 1.472 8.942 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.627 -0.352 8.090 1.00 0.00 O ATOM 0 H GLU A 43 6.872 0.135 5.366 1.00 0.00 H new ATOM 0 HA GLU A 43 9.345 1.322 4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.400 1.360 6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.957 -0.300 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.211 0.725 5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.587 2.228 6.473 1.00 0.00 H new ATOM 712 N THR A 44 10.012 -0.749 3.073 1.00 0.00 N ATOM 713 CA THR A 44 10.677 -1.873 2.441 1.00 0.00 C ATOM 714 C THR A 44 11.822 -1.364 1.545 1.00 0.00 C ATOM 715 O THR A 44 11.912 -0.172 1.221 1.00 0.00 O ATOM 716 CB THR A 44 9.595 -2.687 1.707 1.00 0.00 C ATOM 717 OG1 THR A 44 9.975 -4.034 1.552 1.00 0.00 O ATOM 718 CG2 THR A 44 9.186 -2.105 0.349 1.00 0.00 C ATOM 0 H THR A 44 10.041 0.105 2.516 1.00 0.00 H new ATOM 0 HA THR A 44 11.158 -2.538 3.159 1.00 0.00 H new ATOM 0 HB THR A 44 8.718 -2.627 2.352 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.266 -4.522 1.084 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.421 -2.737 -0.102 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.790 -1.099 0.489 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.056 -2.065 -0.307 1.00 0.00 H new ATOM 726 N GLU A 45 12.686 -2.276 1.098 1.00 0.00 N ATOM 727 CA GLU A 45 13.768 -1.976 0.172 1.00 0.00 C ATOM 728 C GLU A 45 13.243 -1.931 -1.272 1.00 0.00 C ATOM 729 O GLU A 45 13.678 -1.101 -2.074 1.00 0.00 O ATOM 730 CB GLU A 45 14.871 -3.041 0.307 1.00 0.00 C ATOM 731 CG GLU A 45 16.279 -2.446 0.193 1.00 0.00 C ATOM 732 CD GLU A 45 16.795 -1.950 1.547 1.00 0.00 C ATOM 733 OE1 GLU A 45 17.158 -2.808 2.391 1.00 0.00 O ATOM 734 OE2 GLU A 45 16.920 -0.722 1.752 1.00 0.00 O ATOM 0 H GLU A 45 12.650 -3.257 1.376 1.00 0.00 H new ATOM 0 HA GLU A 45 14.183 -0.998 0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.770 -3.544 1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.737 -3.798 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.961 -3.198 -0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.269 -1.619 -0.518 1.00 0.00 H new ATOM 741 N ASN A 46 12.320 -2.825 -1.626 1.00 0.00 N ATOM 742 CA ASN A 46 11.912 -3.097 -3.000 1.00 0.00 C ATOM 743 C ASN A 46 10.496 -2.585 -3.246 1.00 0.00 C ATOM 744 O ASN A 46 9.537 -3.354 -3.216 1.00 0.00 O ATOM 745 CB ASN A 46 12.087 -4.600 -3.278 1.00 0.00 C ATOM 746 CG ASN A 46 11.790 -5.076 -4.697 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.768 -6.283 -4.909 1.00 0.00 O ATOM 748 ND2 ASN A 46 11.624 -4.223 -5.698 1.00 0.00 N ATOM 0 H ASN A 46 11.822 -3.396 -0.943 1.00 0.00 H new ATOM 0 HA ASN A 46 12.543 -2.560 -3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.114 -4.873 -3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.441 -5.150 -2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.478 -4.571 -6.646 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.642 -3.219 -5.521 1.00 0.00 H new ATOM 755 N LEU A 47 10.367 -1.280 -3.512 1.00 0.00 N ATOM 756 CA LEU A 47 9.095 -0.635 -3.828 1.00 0.00 C ATOM 757 C LEU A 47 8.383 -1.336 -4.975 1.00 0.00 C ATOM 758 O LEU A 47 7.175 -1.532 -4.892 1.00 0.00 O ATOM 759 CB LEU A 47 9.291 0.843 -4.202 1.00 0.00 C ATOM 760 CG LEU A 47 7.964 1.526 -4.604 1.00 0.00 C ATOM 761 CD1 LEU A 47 6.954 1.478 -3.454 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.157 2.972 -5.049 1.00 0.00 C ATOM 0 H LEU A 47 11.158 -0.636 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 47 8.484 -0.703 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.729 1.374 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.999 0.916 -5.027 1.00 0.00 H new ATOM 0 HG LEU A 47 7.579 0.964 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.029 1.965 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.748 0.440 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.365 1.995 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.192 3.401 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.595 3.548 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.822 3.001 -5.912 1.00 0.00 H new ATOM 774 N ASP A 48 9.121 -1.696 -6.025 1.00 0.00 N ATOM 775 CA ASP A 48 8.585 -2.390 -7.194 1.00 0.00 C ATOM 776 C ASP A 48 7.720 -3.584 -6.785 1.00 0.00 C ATOM 777 O ASP A 48 6.578 -3.662 -7.227 1.00 0.00 O ATOM 778 CB ASP A 48 9.722 -2.760 -8.158 1.00 0.00 C ATOM 779 CG ASP A 48 9.621 -4.193 -8.670 1.00 0.00 C ATOM 780 OD1 ASP A 48 8.787 -4.508 -9.547 1.00 0.00 O ATOM 781 OD2 ASP A 48 10.366 -5.035 -8.118 1.00 0.00 O ATOM 0 H ASP A 48 10.122 -1.511 -6.087 1.00 0.00 H new ATOM 0 HA ASP A 48 7.919 -1.718 -7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.711 -2.075 -9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.678 -2.626 -7.653 1.00 0.00 H new ATOM 786 N SER A 49 8.194 -4.448 -5.881 1.00 0.00 N ATOM 787 CA SER A 49 7.415 -5.596 -5.447 1.00 0.00 C ATOM 788 C SER A 49 6.119 -5.145 -4.761 1.00 0.00 C ATOM 789 O SER A 49 5.094 -5.790 -4.959 1.00 0.00 O ATOM 790 CB SER A 49 8.254 -6.523 -4.572 1.00 0.00 C ATOM 791 OG SER A 49 7.704 -7.827 -4.576 1.00 0.00 O ATOM 0 H SER A 49 9.111 -4.368 -5.441 1.00 0.00 H new ATOM 0 HA SER A 49 7.123 -6.174 -6.323 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.280 -6.552 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.291 -6.139 -3.553 1.00 0.00 H new ATOM 0 HG SER A 49 8.250 -8.414 -4.013 1.00 0.00 H new ATOM 797 N VAL A 50 6.107 -4.020 -4.030 1.00 0.00 N ATOM 798 CA VAL A 50 4.872 -3.475 -3.466 1.00 0.00 C ATOM 799 C VAL A 50 3.941 -3.021 -4.590 1.00 0.00 C ATOM 800 O VAL A 50 2.784 -3.422 -4.609 1.00 0.00 O ATOM 801 CB VAL A 50 5.099 -2.307 -2.476 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.832 -2.169 -1.618 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.324 -2.426 -1.553 1.00 0.00 C ATOM 0 H VAL A 50 6.941 -3.473 -3.818 1.00 0.00 H new ATOM 0 HA VAL A 50 4.418 -4.283 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 50 5.306 -1.430 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.961 -1.352 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.978 -1.959 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.658 -3.098 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.378 -1.551 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.233 -3.324 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.230 -2.488 -2.156 1.00 0.00 H new ATOM 813 N LEU A 51 4.406 -2.180 -5.518 1.00 0.00 N ATOM 814 CA LEU A 51 3.572 -1.631 -6.591 1.00 0.00 C ATOM 815 C LEU A 51 2.964 -2.762 -7.419 1.00 0.00 C ATOM 816 O LEU A 51 1.770 -2.756 -7.718 1.00 0.00 O ATOM 817 CB LEU A 51 4.401 -0.703 -7.494 1.00 0.00 C ATOM 818 CG LEU A 51 4.903 0.584 -6.815 1.00 0.00 C ATOM 819 CD1 LEU A 51 5.810 1.348 -7.784 1.00 0.00 C ATOM 820 CD2 LEU A 51 3.768 1.502 -6.350 1.00 0.00 C ATOM 0 H LEU A 51 5.374 -1.860 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 51 2.766 -1.051 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.261 -1.258 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.798 -0.428 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 51 5.452 0.281 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.167 2.260 -7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.661 0.723 -8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.248 1.605 -8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.188 2.391 -5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.164 1.797 -7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.143 0.972 -5.631 1.00 0.00 H new ATOM 832 N LYS A 52 3.786 -3.769 -7.718 1.00 0.00 N ATOM 833 CA LYS A 52 3.384 -4.996 -8.378 1.00 0.00 C ATOM 834 C LYS A 52 2.295 -5.656 -7.552 1.00 0.00 C ATOM 835 O LYS A 52 1.226 -5.934 -8.079 1.00 0.00 O ATOM 836 CB LYS A 52 4.616 -5.909 -8.535 1.00 0.00 C ATOM 837 CG LYS A 52 4.359 -7.135 -9.427 1.00 0.00 C ATOM 838 CD LYS A 52 4.899 -6.929 -10.845 1.00 0.00 C ATOM 839 CE LYS A 52 4.215 -5.765 -11.572 1.00 0.00 C ATOM 840 NZ LYS A 52 4.947 -5.393 -12.792 1.00 0.00 N ATOM 0 H LYS A 52 4.781 -3.745 -7.497 1.00 0.00 H new ATOM 0 HA LYS A 52 2.986 -4.795 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.437 -5.329 -8.956 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.936 -6.247 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.829 -8.013 -8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.288 -7.335 -9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.972 -6.743 -10.798 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.759 -7.844 -11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.193 -6.044 -11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.152 -4.904 -10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.460 -4.603 -13.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.914 -5.104 -12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.985 -6.208 -13.436 1.00 0.00 H new ATOM 854 N LYS A 53 2.552 -5.914 -6.269 1.00 0.00 N ATOM 855 CA LYS A 53 1.628 -6.626 -5.401 1.00 0.00 C ATOM 856 C LYS A 53 0.313 -5.882 -5.239 1.00 0.00 C ATOM 857 O LYS A 53 -0.705 -6.532 -5.023 1.00 0.00 O ATOM 858 CB LYS A 53 2.305 -6.895 -4.045 1.00 0.00 C ATOM 859 CG LYS A 53 1.614 -7.948 -3.171 1.00 0.00 C ATOM 860 CD LYS A 53 1.374 -9.230 -3.969 1.00 0.00 C ATOM 861 CE LYS A 53 1.342 -10.453 -3.056 1.00 0.00 C ATOM 862 NZ LYS A 53 1.228 -11.698 -3.837 1.00 0.00 N ATOM 0 H LYS A 53 3.415 -5.631 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 53 1.379 -7.581 -5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.332 -7.212 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.354 -5.959 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.229 -8.166 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.665 -7.558 -2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.431 -9.153 -4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.161 -9.350 -4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.248 -10.482 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.501 -10.374 -2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.208 -12.513 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.351 -11.678 -4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.044 -11.783 -4.476 1.00 0.00 H new ATOM 876 N LEU A 54 0.304 -4.553 -5.302 1.00 0.00 N ATOM 877 CA LEU A 54 -0.912 -3.756 -5.285 1.00 0.00 C ATOM 878 C LEU A 54 -1.742 -4.017 -6.543 1.00 0.00 C ATOM 879 O LEU A 54 -2.933 -4.321 -6.454 1.00 0.00 O ATOM 880 CB LEU A 54 -0.508 -2.287 -5.145 1.00 0.00 C ATOM 881 CG LEU A 54 -0.485 -1.767 -3.700 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.891 -1.365 -3.233 1.00 0.00 C ATOM 883 CD2 LEU A 54 0.097 -2.685 -2.617 1.00 0.00 C ATOM 0 H LEU A 54 1.155 -3.995 -5.367 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.546 -4.030 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.482 -2.152 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.199 -1.676 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 54 0.203 -0.926 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.843 -1.001 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.278 -0.578 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.552 -2.231 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.047 -2.184 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.478 -3.610 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.136 -2.913 -2.854 1.00 0.00 H new ATOM 895 N GLU A 55 -1.133 -3.940 -7.725 1.00 0.00 N ATOM 896 CA GLU A 55 -1.845 -4.184 -8.978 1.00 0.00 C ATOM 897 C GLU A 55 -2.308 -5.647 -9.067 1.00 0.00 C ATOM 898 O GLU A 55 -3.407 -5.955 -9.540 1.00 0.00 O ATOM 899 CB GLU A 55 -0.941 -3.809 -10.158 1.00 0.00 C ATOM 900 CG GLU A 55 -0.874 -2.285 -10.246 1.00 0.00 C ATOM 901 CD GLU A 55 -0.125 -1.788 -11.475 1.00 0.00 C ATOM 902 OE1 GLU A 55 -0.564 -2.075 -12.607 1.00 0.00 O ATOM 903 OE2 GLU A 55 0.900 -1.081 -11.335 1.00 0.00 O ATOM 0 H GLU A 55 -0.146 -3.710 -7.841 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.739 -3.561 -9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.057 -4.225 -10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.334 -4.226 -11.085 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.887 -1.883 -10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.388 -1.897 -9.351 1.00 0.00 H new ATOM 910 N GLU A 56 -1.486 -6.557 -8.552 1.00 0.00 N ATOM 911 CA GLU A 56 -1.754 -7.984 -8.367 1.00 0.00 C ATOM 912 C GLU A 56 -2.671 -8.274 -7.163 1.00 0.00 C ATOM 913 O GLU A 56 -2.783 -9.429 -6.741 1.00 0.00 O ATOM 914 CB GLU A 56 -0.431 -8.778 -8.302 1.00 0.00 C ATOM 915 CG GLU A 56 0.097 -9.166 -9.694 1.00 0.00 C ATOM 916 CD GLU A 56 -0.796 -10.186 -10.422 1.00 0.00 C ATOM 917 OE1 GLU A 56 -1.586 -10.921 -9.776 1.00 0.00 O ATOM 918 OE2 GLU A 56 -0.705 -10.296 -11.661 1.00 0.00 O ATOM 0 H GLU A 56 -0.552 -6.302 -8.231 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.311 -8.325 -9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.321 -8.181 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.583 -9.681 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.183 -8.268 -10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.100 -9.580 -9.592 1.00 0.00 H new ATOM 925 N ILE A 57 -3.366 -7.277 -6.609 1.00 0.00 N ATOM 926 CA ILE A 57 -4.574 -7.469 -5.821 1.00 0.00 C ATOM 927 C ILE A 57 -5.726 -6.589 -6.339 1.00 0.00 C ATOM 928 O ILE A 57 -6.668 -6.327 -5.584 1.00 0.00 O ATOM 929 CB ILE A 57 -4.309 -7.272 -4.318 1.00 0.00 C ATOM 930 CG1 ILE A 57 -3.995 -5.807 -3.956 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.310 -8.290 -3.744 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.374 -5.432 -2.523 1.00 0.00 C ATOM 0 H ILE A 57 -3.095 -6.298 -6.701 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.890 -8.505 -5.944 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.248 -7.493 -3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.930 -5.627 -4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.525 -5.150 -4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.166 -8.098 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.699 -9.299 -3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.356 -8.196 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.123 -4.387 -2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.445 -5.579 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.825 -6.063 -1.824 1.00 0.00 H new ATOM 944 N ASP A 58 -5.684 -6.155 -7.607 1.00 0.00 N ATOM 945 CA ASP A 58 -6.721 -5.346 -8.277 1.00 0.00 C ATOM 946 C ASP A 58 -6.703 -3.864 -7.857 1.00 0.00 C ATOM 947 O ASP A 58 -7.648 -3.134 -8.150 1.00 0.00 O ATOM 948 CB ASP A 58 -8.114 -5.969 -8.011 1.00 0.00 C ATOM 949 CG ASP A 58 -9.070 -5.961 -9.191 1.00 0.00 C ATOM 950 OD1 ASP A 58 -9.718 -4.926 -9.460 1.00 0.00 O ATOM 951 OD2 ASP A 58 -9.297 -7.057 -9.760 1.00 0.00 O ATOM 0 H ASP A 58 -4.897 -6.364 -8.221 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.501 -5.360 -9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.975 -7.000 -7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.580 -5.433 -7.184 1.00 0.00 H new ATOM 956 N TYR A 59 -5.661 -3.392 -7.155 1.00 0.00 N ATOM 957 CA TYR A 59 -5.604 -2.054 -6.549 1.00 0.00 C ATOM 958 C TYR A 59 -4.472 -1.221 -7.185 1.00 0.00 C ATOM 959 O TYR A 59 -3.429 -1.026 -6.557 1.00 0.00 O ATOM 960 CB TYR A 59 -5.442 -2.161 -5.017 1.00 0.00 C ATOM 961 CG TYR A 59 -6.680 -2.471 -4.180 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.660 -3.396 -4.590 1.00 0.00 C ATOM 963 CD2 TYR A 59 -6.851 -1.818 -2.945 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.822 -3.608 -3.831 1.00 0.00 C ATOM 965 CE2 TYR A 59 -7.978 -2.063 -2.147 1.00 0.00 C ATOM 966 CZ TYR A 59 -8.992 -2.927 -2.611 1.00 0.00 C ATOM 967 OH TYR A 59 -10.124 -3.113 -1.887 1.00 0.00 O ATOM 0 H TYR A 59 -4.818 -3.942 -6.990 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.544 -1.538 -6.746 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.701 -2.934 -4.814 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.026 -1.219 -4.660 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.515 -3.952 -5.504 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.102 -1.117 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.582 -4.291 -4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.069 -1.591 -1.180 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.567 -2.250 -1.745 1.00 0.00 H new ATOM 977 N PRO A 60 -4.645 -0.693 -8.411 1.00 0.00 N ATOM 978 CA PRO A 60 -3.643 0.120 -9.078 1.00 0.00 C ATOM 979 C PRO A 60 -3.399 1.433 -8.331 1.00 0.00 C ATOM 980 O PRO A 60 -4.326 2.201 -8.043 1.00 0.00 O ATOM 981 CB PRO A 60 -4.152 0.332 -10.507 1.00 0.00 C ATOM 982 CG PRO A 60 -5.662 0.142 -10.388 1.00 0.00 C ATOM 983 CD PRO A 60 -5.791 -0.890 -9.274 1.00 0.00 C ATOM 0 HA PRO A 60 -2.671 -0.372 -9.094 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.902 1.326 -10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.712 -0.386 -11.199 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.167 1.074 -10.135 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.099 -0.214 -11.321 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.722 -0.755 -8.723 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.805 -1.902 -9.679 1.00 0.00 H new ATOM 991 N VAL A 61 -2.126 1.673 -8.023 1.00 0.00 N ATOM 992 CA VAL A 61 -1.636 2.887 -7.382 1.00 0.00 C ATOM 993 C VAL A 61 -1.708 4.054 -8.387 1.00 0.00 C ATOM 994 O VAL A 61 -1.299 3.892 -9.541 1.00 0.00 O ATOM 995 CB VAL A 61 -0.187 2.639 -6.892 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.248 3.751 -5.937 1.00 0.00 C ATOM 997 CG2 VAL A 61 -0.002 1.290 -6.168 1.00 0.00 C ATOM 0 H VAL A 61 -1.383 1.003 -8.221 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.250 3.149 -6.520 1.00 0.00 H new ATOM 0 HB VAL A 61 0.427 2.624 -7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.268 3.564 -5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.206 4.710 -6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.420 3.773 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.036 1.185 -5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.651 1.254 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.260 0.475 -6.845 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.178 5.237 -7.975 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.170 6.439 -8.815 1.00 0.00 C ATOM 1009 C GLU A 62 -0.739 6.979 -8.918 1.00 0.00 C ATOM 1010 O GLU A 62 -0.235 7.229 -10.012 1.00 0.00 O ATOM 1011 CB GLU A 62 -3.123 7.515 -8.257 1.00 0.00 C ATOM 1012 CG GLU A 62 -3.125 8.789 -9.134 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.313 9.744 -8.934 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -4.978 9.731 -7.875 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -4.600 10.561 -9.841 1.00 0.00 O ATOM 0 H GLU A 62 -2.575 5.388 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.526 6.174 -9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.134 7.111 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.825 7.773 -7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.205 9.340 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.101 8.485 -10.181 1.00 0.00 H new ATOM 1022 N SER A 63 -0.055 7.180 -7.790 1.00 0.00 N ATOM 1023 CA SER A 63 1.342 7.620 -7.739 1.00 0.00 C ATOM 1024 C SER A 63 1.989 7.215 -6.410 1.00 0.00 C ATOM 1025 O SER A 63 1.313 6.694 -5.521 1.00 0.00 O ATOM 1026 CB SER A 63 1.412 9.142 -7.907 1.00 0.00 C ATOM 1027 OG SER A 63 0.911 9.566 -9.163 1.00 0.00 O ATOM 0 H SER A 63 -0.465 7.039 -6.867 1.00 0.00 H new ATOM 0 HA SER A 63 1.887 7.139 -8.551 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.842 9.620 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.446 9.470 -7.801 1.00 0.00 H new ATOM 0 HG SER A 63 0.589 8.789 -9.666 1.00 0.00 H new ATOM 1033 N TYR A 64 3.293 7.450 -6.269 1.00 0.00 N ATOM 1034 CA TYR A 64 4.077 7.158 -5.080 1.00 0.00 C ATOM 1035 C TYR A 64 5.163 8.225 -4.919 1.00 0.00 C ATOM 1036 O TYR A 64 5.448 8.990 -5.846 1.00 0.00 O ATOM 1037 CB TYR A 64 4.681 5.749 -5.202 1.00 0.00 C ATOM 1038 CG TYR A 64 5.521 5.547 -6.454 1.00 0.00 C ATOM 1039 CD1 TYR A 64 6.867 5.964 -6.472 1.00 0.00 C ATOM 1040 CD2 TYR A 64 4.946 4.978 -7.611 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.638 5.801 -7.637 1.00 0.00 C ATOM 1042 CE2 TYR A 64 5.714 4.821 -8.781 1.00 0.00 C ATOM 1043 CZ TYR A 64 7.067 5.232 -8.798 1.00 0.00 C ATOM 1044 OH TYR A 64 7.845 5.062 -9.905 1.00 0.00 O ATOM 0 H TYR A 64 3.851 7.867 -7.014 1.00 0.00 H new ATOM 0 HA TYR A 64 3.446 7.179 -4.192 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.299 5.552 -4.326 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.874 5.016 -5.195 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.306 6.409 -5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.913 4.662 -7.599 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.672 6.112 -7.644 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.270 4.387 -9.665 1.00 0.00 H new ATOM 0 HH TYR A 64 7.311 4.659 -10.621 1.00 0.00 H new ATOM 1054 N GLN A 65 5.790 8.260 -3.746 1.00 0.00 N ATOM 1055 CA GLN A 65 6.891 9.118 -3.366 1.00 0.00 C ATOM 1056 C GLN A 65 7.694 8.314 -2.342 1.00 0.00 C ATOM 1057 O GLN A 65 7.145 7.448 -1.659 1.00 0.00 O ATOM 1058 CB GLN A 65 6.318 10.407 -2.740 1.00 0.00 C ATOM 1059 CG GLN A 65 6.431 11.638 -3.626 1.00 0.00 C ATOM 1060 CD GLN A 65 7.844 12.199 -3.620 1.00 0.00 C ATOM 1061 OE1 GLN A 65 8.620 11.997 -4.551 1.00 0.00 O ATOM 1062 NE2 GLN A 65 8.211 12.925 -2.581 1.00 0.00 N ATOM 0 H GLN A 65 5.515 7.640 -2.984 1.00 0.00 H new ATOM 0 HA GLN A 65 7.520 9.411 -4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.268 10.243 -2.498 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.835 10.601 -1.800 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.144 11.381 -4.646 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.734 12.401 -3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.557 13.085 -1.814 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.148 13.326 -2.544 1.00 0.00 H new ATOM 1071 N GLU A 66 8.978 8.602 -2.224 1.00 0.00 N ATOM 1072 CA GLU A 66 9.933 8.058 -1.281 1.00 0.00 C ATOM 1073 C GLU A 66 9.955 8.907 -0.004 1.00 0.00 C ATOM 1074 O GLU A 66 9.710 10.115 -0.057 1.00 0.00 O ATOM 1075 CB GLU A 66 11.245 8.122 -2.064 1.00 0.00 C ATOM 1076 CG GLU A 66 12.507 7.854 -1.274 1.00 0.00 C ATOM 1077 CD GLU A 66 13.721 8.133 -2.161 1.00 0.00 C ATOM 1078 OE1 GLU A 66 13.834 7.532 -3.255 1.00 0.00 O ATOM 1079 OE2 GLU A 66 14.482 9.080 -1.851 1.00 0.00 O ATOM 0 H GLU A 66 9.416 9.284 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 66 9.712 7.048 -0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.192 7.402 -2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.327 9.111 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.536 8.486 -0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.523 6.820 -0.930 1.00 0.00 H new ATOM 1086 N VAL A 67 10.260 8.272 1.131 1.00 0.00 N ATOM 1087 CA VAL A 67 10.327 8.823 2.486 1.00 0.00 C ATOM 1088 C VAL A 67 11.251 7.975 3.377 1.00 0.00 C ATOM 1089 O VAL A 67 11.819 6.953 2.931 1.00 0.00 O ATOM 1090 CB VAL A 67 8.906 9.028 3.090 1.00 0.00 C ATOM 1091 CG1 VAL A 67 8.416 10.474 2.919 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.797 8.146 2.474 1.00 0.00 C ATOM 0 H VAL A 67 10.485 7.277 1.124 1.00 0.00 H new ATOM 0 HA VAL A 67 10.773 9.816 2.434 1.00 0.00 H new ATOM 0 HB VAL A 67 9.051 8.750 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.421 10.575 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.103 11.153 3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.375 10.721 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.847 8.363 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.714 8.357 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.046 7.095 2.618 1.00 0.00 H new TER 1102 VAL A 67