USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 795 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 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 42 GLN : amide:sc= -3.52! C(o=-3.5!,f=-3.5!) USER MOD Single : A 1 GLU N :NH3+ -140:sc= -0.0304 (180deg=-0.392) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0337 USER MOD Single : A 8 ASN : amide:sc=-0.00322 X(o=-0.0032,f=-0.1) USER MOD Single : A 9 ASN : amide:sc= -0.415 K(o=-0.41,f=-2.4!) USER MOD Single : A 12 SER OG : rot 70:sc= 0.00613 USER MOD Single : A 13 TYR OH : rot 19:sc= -2.73! USER MOD Single : A 15 ASN : amide:sc= -0.818 K(o=-0.82,f=-3!) USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0315) USER MOD Single : A 18 LYS NZ :NH3+ 135:sc= 0.763 (180deg=-0.264) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0333 X(o=-0.033,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0852 USER MOD Single : A 30 SER OG : rot 77:sc= 0.586 USER MOD Single : A 36 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.39) USER MOD Single : A 37 THR OG1 : rot 78:sc= 1.34 USER MOD Single : A 39 GLN :FLIP amide:sc= -5.17! C(o=-6.2!,f=-5.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.044) USER MOD Single : A 45 THR OG1 : rot -13:sc= 0.288 USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= -0.0321 (180deg=-0.23) USER MOD Single : A 53 MET CE :methyl -122:sc= -0.81 (180deg=-6.23!) USER MOD Single : A 54 SER OG : rot 157:sc= 0.746 USER MOD Single : A 60 THR OG1 : rot 70:sc= 1.02 USER MOD Single : A 64 ASN :FLIP amide:sc= -0.629 F(o=-3.4,f=-0.63) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.873 F(o=-5.6!,f=-0.87) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.05 K(o=-1,f=-2.4!) USER MOD Single : A 84 LYS NZ :NH3+ -167:sc= -0.0133 (180deg=-0.21) USER MOD Single : B 1 ASN : amide:sc= -2.24 K(o=-2.2,f=-6!) USER MOD Single : B 1 ASN N :NH3+ -179:sc= -0.235 (180deg=-0.236) USER MOD Single : B 3 GLN :FLIP amide:sc= -2 F(o=-5.6!,f=-2) USER MOD Single : B 4 MET CE :methyl -135:sc= -0.679 (180deg=-2.64!) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -14.115 21.265 -1.567 1.00 0.00 N ATOM 2 CA GLU A 1 -13.647 20.887 -2.926 1.00 0.00 C ATOM 3 C GLU A 1 -12.728 19.666 -2.870 1.00 0.00 C ATOM 4 O GLU A 1 -12.962 18.742 -2.091 1.00 0.00 O ATOM 5 CB GLU A 1 -12.917 22.087 -3.535 1.00 0.00 C ATOM 6 CG GLU A 1 -13.799 23.315 -3.716 1.00 0.00 C ATOM 7 CD GLU A 1 -14.928 23.092 -4.708 1.00 0.00 C ATOM 8 OE1 GLU A 1 -15.000 21.990 -5.294 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.737 24.023 -4.903 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.116 21.543 -1.610 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.008 20.454 -0.925 1.00 0.00 H new ATOM 0 H3 GLU A 1 -13.549 22.063 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.502 20.618 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -12.072 22.348 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -12.508 21.799 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -14.220 23.599 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -13.185 24.150 -4.054 1.00 0.00 H new ATOM 18 N SER A 2 -11.684 19.665 -3.699 1.00 0.00 N ATOM 19 CA SER A 2 -10.738 18.553 -3.737 1.00 0.00 C ATOM 20 C SER A 2 -9.559 18.874 -4.649 1.00 0.00 C ATOM 21 O SER A 2 -9.740 19.342 -5.774 1.00 0.00 O ATOM 22 CB SER A 2 -11.435 17.280 -4.221 1.00 0.00 C ATOM 23 OG SER A 2 -11.953 17.450 -5.529 1.00 0.00 O ATOM 0 H SER A 2 -11.473 20.420 -4.351 1.00 0.00 H new ATOM 0 HA SER A 2 -10.362 18.394 -2.726 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.730 16.449 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.243 17.021 -3.537 1.00 0.00 H new ATOM 0 HG SER A 2 -12.392 16.623 -5.817 1.00 0.00 H new ATOM 29 N ASP A 3 -8.351 18.616 -4.156 1.00 0.00 N ATOM 30 CA ASP A 3 -7.135 18.872 -4.922 1.00 0.00 C ATOM 31 C ASP A 3 -6.996 17.879 -6.079 1.00 0.00 C ATOM 32 O ASP A 3 -7.954 17.638 -6.815 1.00 0.00 O ATOM 33 CB ASP A 3 -5.911 18.809 -4.003 1.00 0.00 C ATOM 34 CG ASP A 3 -5.787 17.475 -3.294 1.00 0.00 C ATOM 35 OD1 ASP A 3 -6.711 17.120 -2.532 1.00 0.00 O ATOM 36 OD2 ASP A 3 -4.768 16.784 -3.503 1.00 0.00 O ATOM 0 H ASP A 3 -8.188 18.229 -3.227 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.201 19.873 -5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.010 18.990 -4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.975 19.606 -3.262 1.00 0.00 H new ATOM 41 N SER A 4 -5.802 17.308 -6.242 1.00 0.00 N ATOM 42 CA SER A 4 -5.542 16.358 -7.303 1.00 0.00 C ATOM 43 C SER A 4 -6.476 15.164 -7.214 1.00 0.00 C ATOM 44 O SER A 4 -6.781 14.673 -6.127 1.00 0.00 O ATOM 45 CB SER A 4 -4.107 15.882 -7.229 1.00 0.00 C ATOM 46 OG SER A 4 -3.240 16.912 -6.784 1.00 0.00 O ATOM 0 H SER A 4 -4.998 17.495 -5.642 1.00 0.00 H new ATOM 0 HA SER A 4 -5.716 16.861 -8.254 1.00 0.00 H new ATOM 0 HB2 SER A 4 -4.040 15.030 -6.552 1.00 0.00 H new ATOM 0 HB3 SER A 4 -3.787 15.534 -8.211 1.00 0.00 H new ATOM 0 HG SER A 4 -2.321 16.573 -6.745 1.00 0.00 H new ATOM 52 N VAL A 5 -6.908 14.698 -8.372 1.00 0.00 N ATOM 53 CA VAL A 5 -7.794 13.549 -8.455 1.00 0.00 C ATOM 54 C VAL A 5 -7.112 12.310 -7.899 1.00 0.00 C ATOM 55 O VAL A 5 -7.724 11.522 -7.185 1.00 0.00 O ATOM 56 CB VAL A 5 -8.212 13.275 -9.910 1.00 0.00 C ATOM 57 CG1 VAL A 5 -9.034 11.995 -10.005 1.00 0.00 C ATOM 58 CG2 VAL A 5 -8.986 14.455 -10.475 1.00 0.00 C ATOM 0 H VAL A 5 -6.658 15.101 -9.275 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.682 13.778 -7.865 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.309 13.142 -10.505 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.318 11.821 -11.043 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.441 11.154 -9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.932 12.093 -9.394 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.273 14.242 -11.505 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.881 14.623 -9.876 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.360 15.347 -10.450 1.00 0.00 H new ATOM 68 N GLU A 6 -5.840 12.148 -8.245 1.00 0.00 N ATOM 69 CA GLU A 6 -5.051 11.004 -7.799 1.00 0.00 C ATOM 70 C GLU A 6 -5.031 10.894 -6.276 1.00 0.00 C ATOM 71 O GLU A 6 -5.061 9.793 -5.728 1.00 0.00 O ATOM 72 CB GLU A 6 -3.623 11.110 -8.331 1.00 0.00 C ATOM 73 CG GLU A 6 -3.542 11.182 -9.848 1.00 0.00 C ATOM 74 CD GLU A 6 -2.116 11.274 -10.353 1.00 0.00 C ATOM 75 OE1 GLU A 6 -1.327 10.347 -10.075 1.00 0.00 O ATOM 76 OE2 GLU A 6 -1.788 12.272 -11.030 1.00 0.00 O ATOM 0 H GLU A 6 -5.329 12.801 -8.839 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.521 10.104 -8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.152 11.997 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.051 10.249 -7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.019 10.300 -10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.104 12.048 -10.197 1.00 0.00 H new ATOM 83 N PHE A 7 -4.970 12.037 -5.598 1.00 0.00 N ATOM 84 CA PHE A 7 -4.938 12.052 -4.137 1.00 0.00 C ATOM 85 C PHE A 7 -6.188 11.396 -3.559 1.00 0.00 C ATOM 86 O PHE A 7 -6.096 10.417 -2.819 1.00 0.00 O ATOM 87 CB PHE A 7 -4.810 13.487 -3.620 1.00 0.00 C ATOM 88 CG PHE A 7 -4.750 13.587 -2.120 1.00 0.00 C ATOM 89 CD1 PHE A 7 -3.896 12.774 -1.386 1.00 0.00 C ATOM 90 CD2 PHE A 7 -5.549 14.494 -1.443 1.00 0.00 C ATOM 91 CE1 PHE A 7 -3.842 12.867 -0.009 1.00 0.00 C ATOM 92 CE2 PHE A 7 -5.498 14.591 -0.066 1.00 0.00 C ATOM 93 CZ PHE A 7 -4.644 13.776 0.652 1.00 0.00 C ATOM 0 H PHE A 7 -4.942 12.959 -6.033 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.068 11.481 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.911 13.937 -4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.657 14.070 -3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.267 12.061 -1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.220 15.133 -1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.173 12.229 0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -6.125 15.303 0.449 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.604 13.850 1.729 1.00 0.00 H new ATOM 103 N ASN A 8 -7.356 11.920 -3.921 1.00 0.00 N ATOM 104 CA ASN A 8 -8.616 11.364 -3.461 1.00 0.00 C ATOM 105 C ASN A 8 -8.778 9.960 -4.016 1.00 0.00 C ATOM 106 O ASN A 8 -9.343 9.073 -3.375 1.00 0.00 O ATOM 107 CB ASN A 8 -9.767 12.261 -3.912 1.00 0.00 C ATOM 108 CG ASN A 8 -11.019 11.479 -4.226 1.00 0.00 C ATOM 109 OD1 ASN A 8 -11.616 10.853 -3.350 1.00 0.00 O ATOM 110 ND2 ASN A 8 -11.412 11.504 -5.491 1.00 0.00 N ATOM 0 H ASN A 8 -7.451 12.730 -4.533 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.624 11.313 -2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.984 12.989 -3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.462 12.822 -4.795 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.245 10.989 -5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.882 12.039 -6.179 1.00 0.00 H new ATOM 117 N ASN A 9 -8.251 9.780 -5.218 1.00 0.00 N ATOM 118 CA ASN A 9 -8.285 8.502 -5.909 1.00 0.00 C ATOM 119 C ASN A 9 -7.687 7.417 -5.022 1.00 0.00 C ATOM 120 O ASN A 9 -8.227 6.318 -4.907 1.00 0.00 O ATOM 121 CB ASN A 9 -7.490 8.624 -7.211 1.00 0.00 C ATOM 122 CG ASN A 9 -7.619 7.431 -8.117 1.00 0.00 C ATOM 123 OD1 ASN A 9 -7.559 6.282 -7.679 1.00 0.00 O ATOM 124 ND2 ASN A 9 -7.763 7.706 -9.400 1.00 0.00 N ATOM 0 H ASN A 9 -7.786 10.521 -5.743 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.316 8.230 -6.137 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.823 9.513 -7.747 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.437 8.773 -6.970 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.830 6.948 -10.080 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.807 8.676 -9.712 1.00 0.00 H new ATOM 131 N ALA A 10 -6.565 7.752 -4.389 1.00 0.00 N ATOM 132 CA ALA A 10 -5.875 6.832 -3.496 1.00 0.00 C ATOM 133 C ALA A 10 -6.640 6.654 -2.186 1.00 0.00 C ATOM 134 O ALA A 10 -6.743 5.542 -1.659 1.00 0.00 O ATOM 135 CB ALA A 10 -4.464 7.332 -3.220 1.00 0.00 C ATOM 0 H ALA A 10 -6.114 8.662 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.820 5.860 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.956 6.637 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.913 7.402 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.511 8.316 -2.753 1.00 0.00 H new ATOM 141 N ILE A 11 -7.163 7.760 -1.659 1.00 0.00 N ATOM 142 CA ILE A 11 -7.906 7.733 -0.405 1.00 0.00 C ATOM 143 C ILE A 11 -9.002 6.680 -0.433 1.00 0.00 C ATOM 144 O ILE A 11 -9.159 5.913 0.512 1.00 0.00 O ATOM 145 CB ILE A 11 -8.562 9.091 -0.094 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.522 10.215 -0.081 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.294 9.020 1.236 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.438 10.050 0.963 1.00 0.00 C ATOM 0 H ILE A 11 -7.085 8.685 -2.083 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.177 7.495 0.369 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.282 9.316 -0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.056 10.274 -1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.032 11.164 0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.755 9.984 1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.065 8.252 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.587 8.773 2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.744 10.889 0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.889 10.023 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.899 9.120 0.784 1.00 0.00 H new ATOM 160 N SER A 12 -9.769 6.661 -1.517 1.00 0.00 N ATOM 161 CA SER A 12 -10.863 5.710 -1.658 1.00 0.00 C ATOM 162 C SER A 12 -10.372 4.278 -1.493 1.00 0.00 C ATOM 163 O SER A 12 -11.071 3.445 -0.922 1.00 0.00 O ATOM 164 CB SER A 12 -11.550 5.879 -3.014 1.00 0.00 C ATOM 165 OG SER A 12 -12.077 7.187 -3.161 1.00 0.00 O ATOM 0 H SER A 12 -9.653 7.293 -2.309 1.00 0.00 H new ATOM 0 HA SER A 12 -11.586 5.915 -0.869 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.837 5.679 -3.814 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.352 5.147 -3.112 1.00 0.00 H new ATOM 0 HG SER A 12 -11.341 7.828 -3.248 1.00 0.00 H new ATOM 171 N TYR A 13 -9.168 3.990 -1.984 1.00 0.00 N ATOM 172 CA TYR A 13 -8.619 2.648 -1.857 1.00 0.00 C ATOM 173 C TYR A 13 -8.445 2.304 -0.390 1.00 0.00 C ATOM 174 O TYR A 13 -8.955 1.295 0.092 1.00 0.00 O ATOM 175 CB TYR A 13 -7.272 2.536 -2.570 1.00 0.00 C ATOM 176 CG TYR A 13 -6.677 1.144 -2.502 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.429 0.029 -2.852 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.371 0.944 -2.074 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.897 -1.243 -2.778 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.830 -0.326 -1.999 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.597 -1.416 -2.352 1.00 0.00 C ATOM 182 OH TYR A 13 -5.067 -2.683 -2.274 1.00 0.00 O ATOM 0 H TYR A 13 -8.565 4.657 -2.465 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.315 1.949 -2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.396 2.821 -3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.573 3.245 -2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.447 0.160 -3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.768 1.795 -1.795 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.496 -2.098 -3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.812 -0.464 -1.666 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.601 -3.295 -2.821 1.00 0.00 H new ATOM 192 N VAL A 14 -7.730 3.171 0.316 1.00 0.00 N ATOM 193 CA VAL A 14 -7.488 2.987 1.741 1.00 0.00 C ATOM 194 C VAL A 14 -8.808 2.897 2.501 1.00 0.00 C ATOM 195 O VAL A 14 -8.960 2.096 3.425 1.00 0.00 O ATOM 196 CB VAL A 14 -6.653 4.146 2.318 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.382 3.924 3.796 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.349 4.301 1.550 1.00 0.00 C ATOM 0 H VAL A 14 -7.306 4.011 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.933 2.057 1.861 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.224 5.068 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.791 4.753 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.328 3.868 4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.832 2.992 3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.774 5.125 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.772 3.379 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.566 4.510 0.503 1.00 0.00 H new ATOM 208 N ASN A 15 -9.755 3.732 2.097 1.00 0.00 N ATOM 209 CA ASN A 15 -11.073 3.777 2.716 1.00 0.00 C ATOM 210 C ASN A 15 -11.815 2.453 2.546 1.00 0.00 C ATOM 211 O ASN A 15 -12.288 1.867 3.521 1.00 0.00 O ATOM 212 CB ASN A 15 -11.882 4.925 2.101 1.00 0.00 C ATOM 213 CG ASN A 15 -13.330 4.931 2.552 1.00 0.00 C ATOM 214 OD1 ASN A 15 -14.092 4.011 2.255 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.718 5.972 3.278 1.00 0.00 N ATOM 0 H ASN A 15 -9.632 4.396 1.333 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.949 3.947 3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.419 5.874 2.369 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.845 4.848 1.014 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.680 6.031 3.612 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.054 6.713 3.502 1.00 0.00 H new ATOM 222 N LYS A 16 -11.914 1.990 1.305 1.00 0.00 N ATOM 223 CA LYS A 16 -12.603 0.740 1.002 1.00 0.00 C ATOM 224 C LYS A 16 -11.979 -0.423 1.761 1.00 0.00 C ATOM 225 O LYS A 16 -12.681 -1.328 2.209 1.00 0.00 O ATOM 226 CB LYS A 16 -12.570 0.466 -0.503 1.00 0.00 C ATOM 227 CG LYS A 16 -13.349 -0.771 -0.915 1.00 0.00 C ATOM 228 CD LYS A 16 -13.262 -1.016 -2.403 1.00 0.00 C ATOM 229 CE LYS A 16 -13.966 -2.303 -2.777 1.00 0.00 C ATOM 230 NZ LYS A 16 -15.445 -2.190 -2.643 1.00 0.00 N ATOM 0 H LYS A 16 -11.525 2.463 0.490 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.641 0.839 1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.973 1.331 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.533 0.354 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.963 -1.639 -0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.394 -0.656 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.711 -0.181 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.217 -1.066 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.714 -2.569 -3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.605 -3.111 -2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.893 -3.056 -3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.694 -2.063 -1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.782 -1.372 -3.190 1.00 0.00 H new ATOM 244 N ILE A 17 -10.661 -0.396 1.909 1.00 0.00 N ATOM 245 CA ILE A 17 -9.960 -1.451 2.629 1.00 0.00 C ATOM 246 C ILE A 17 -10.434 -1.508 4.076 1.00 0.00 C ATOM 247 O ILE A 17 -10.584 -2.586 4.652 1.00 0.00 O ATOM 248 CB ILE A 17 -8.433 -1.240 2.599 1.00 0.00 C ATOM 249 CG1 ILE A 17 -7.920 -1.296 1.159 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.737 -2.286 3.459 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.448 -0.977 1.024 1.00 0.00 C ATOM 0 H ILE A 17 -10.058 0.341 1.542 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.187 -2.393 2.130 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.207 -0.255 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.105 -2.291 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.492 -0.594 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.660 -2.124 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.087 -2.203 4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.966 -3.281 3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.157 -1.037 -0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.258 0.030 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.866 -1.694 1.603 1.00 0.00 H new ATOM 263 N LYS A 18 -10.672 -0.335 4.656 1.00 0.00 N ATOM 264 CA LYS A 18 -11.133 -0.233 6.028 1.00 0.00 C ATOM 265 C LYS A 18 -12.517 -0.849 6.193 1.00 0.00 C ATOM 266 O LYS A 18 -12.776 -1.584 7.146 1.00 0.00 O ATOM 267 CB LYS A 18 -11.171 1.236 6.444 1.00 0.00 C ATOM 268 CG LYS A 18 -9.806 1.897 6.481 1.00 0.00 C ATOM 269 CD LYS A 18 -9.889 3.334 6.972 1.00 0.00 C ATOM 270 CE LYS A 18 -10.366 3.406 8.414 1.00 0.00 C ATOM 271 NZ LYS A 18 -9.459 2.669 9.337 1.00 0.00 N ATOM 0 H LYS A 18 -10.550 0.563 4.188 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.439 -0.782 6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.811 1.784 5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.629 1.313 7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.144 1.328 7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.366 1.878 5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.910 3.805 6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.570 3.898 6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.429 4.449 8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.371 2.991 8.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.279 3.247 10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.905 1.773 9.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.559 2.471 8.855 1.00 0.00 H new ATOM 285 N THR A 19 -13.404 -0.527 5.262 1.00 0.00 N ATOM 286 CA THR A 19 -14.777 -1.028 5.296 1.00 0.00 C ATOM 287 C THR A 19 -14.858 -2.494 4.885 1.00 0.00 C ATOM 288 O THR A 19 -15.756 -3.218 5.315 1.00 0.00 O ATOM 289 CB THR A 19 -15.705 -0.198 4.384 1.00 0.00 C ATOM 290 OG1 THR A 19 -17.065 -0.607 4.567 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.322 -0.360 2.922 1.00 0.00 C ATOM 0 H THR A 19 -13.199 0.081 4.469 1.00 0.00 H new ATOM 0 HA THR A 19 -15.110 -0.933 6.330 1.00 0.00 H new ATOM 0 HB THR A 19 -15.596 0.851 4.658 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.648 -0.075 3.986 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.992 0.236 2.302 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.296 -0.022 2.775 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.403 -1.409 2.639 1.00 0.00 H new ATOM 299 N ARG A 20 -13.930 -2.926 4.045 1.00 0.00 N ATOM 300 CA ARG A 20 -13.919 -4.304 3.577 1.00 0.00 C ATOM 301 C ARG A 20 -13.694 -5.275 4.731 1.00 0.00 C ATOM 302 O ARG A 20 -14.494 -6.182 4.961 1.00 0.00 O ATOM 303 CB ARG A 20 -12.835 -4.494 2.511 1.00 0.00 C ATOM 304 CG ARG A 20 -12.686 -5.933 2.045 1.00 0.00 C ATOM 305 CD ARG A 20 -14.015 -6.501 1.586 1.00 0.00 C ATOM 306 NE ARG A 20 -13.913 -7.906 1.198 1.00 0.00 N ATOM 307 CZ ARG A 20 -14.933 -8.616 0.723 1.00 0.00 C ATOM 308 NH1 ARG A 20 -16.123 -8.051 0.569 1.00 0.00 N ATOM 309 NH2 ARG A 20 -14.763 -9.890 0.398 1.00 0.00 N ATOM 0 H ARG A 20 -13.178 -2.345 3.675 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.893 -4.518 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.068 -3.865 1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.881 -4.149 2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.966 -5.981 1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.288 -6.542 2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.747 -6.400 2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.384 -5.919 0.742 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.009 -8.368 1.297 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.258 -7.070 0.815 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.904 -8.597 0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.849 -10.328 0.512 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.546 -10.432 0.034 1.00 0.00 H new ATOM 323 N PHE A 21 -12.594 -5.080 5.445 1.00 0.00 N ATOM 324 CA PHE A 21 -12.249 -5.938 6.572 1.00 0.00 C ATOM 325 C PHE A 21 -12.680 -5.332 7.911 1.00 0.00 C ATOM 326 O PHE A 21 -11.892 -5.291 8.855 1.00 0.00 O ATOM 327 CB PHE A 21 -10.742 -6.201 6.600 1.00 0.00 C ATOM 328 CG PHE A 21 -10.227 -6.978 5.421 1.00 0.00 C ATOM 329 CD1 PHE A 21 -10.069 -6.374 4.184 1.00 0.00 C ATOM 330 CD2 PHE A 21 -9.894 -8.316 5.554 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.586 -7.091 3.105 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.412 -9.037 4.482 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.256 -8.424 3.254 1.00 0.00 C ATOM 0 H PHE A 21 -11.923 -4.333 5.264 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.788 -6.875 6.434 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.219 -5.246 6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.497 -6.744 7.513 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.326 -5.332 4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.014 -8.802 6.511 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.467 -6.609 2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.157 -10.079 4.602 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.877 -8.985 2.413 1.00 0.00 H new ATOM 343 N LEU A 22 -13.925 -4.867 7.998 1.00 0.00 N ATOM 344 CA LEU A 22 -14.425 -4.279 9.241 1.00 0.00 C ATOM 345 C LEU A 22 -14.206 -5.223 10.424 1.00 0.00 C ATOM 346 O LEU A 22 -13.832 -4.789 11.513 1.00 0.00 O ATOM 347 CB LEU A 22 -15.913 -3.940 9.122 1.00 0.00 C ATOM 348 CG LEU A 22 -16.237 -2.738 8.234 1.00 0.00 C ATOM 349 CD1 LEU A 22 -17.741 -2.574 8.091 1.00 0.00 C ATOM 350 CD2 LEU A 22 -15.617 -1.471 8.805 1.00 0.00 C ATOM 0 H LEU A 22 -14.600 -4.885 7.233 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.864 -3.361 9.418 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.438 -4.812 8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -16.307 -3.751 10.120 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.812 -2.915 7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.954 -1.714 7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -18.164 -3.472 7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -18.185 -2.418 9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -15.858 -0.626 8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -16.014 -1.290 9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.535 -1.588 8.860 1.00 0.00 H new ATOM 362 N ASP A 23 -14.432 -6.513 10.197 1.00 0.00 N ATOM 363 CA ASP A 23 -14.255 -7.520 11.232 1.00 0.00 C ATOM 364 C ASP A 23 -12.775 -7.822 11.418 1.00 0.00 C ATOM 365 O ASP A 23 -12.339 -8.236 12.492 1.00 0.00 O ATOM 366 CB ASP A 23 -15.013 -8.794 10.859 1.00 0.00 C ATOM 367 CG ASP A 23 -14.979 -9.845 11.955 1.00 0.00 C ATOM 368 OD1 ASP A 23 -14.445 -9.554 13.046 1.00 0.00 O ATOM 369 OD2 ASP A 23 -15.499 -10.956 11.725 1.00 0.00 O ATOM 0 H ASP A 23 -14.740 -6.885 9.299 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.655 -7.137 12.171 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.050 -8.542 10.637 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.584 -9.212 9.948 1.00 0.00 H new ATOM 374 N HIS A 24 -12.013 -7.624 10.348 1.00 0.00 N ATOM 375 CA HIS A 24 -10.582 -7.879 10.356 1.00 0.00 C ATOM 376 C HIS A 24 -9.773 -6.578 10.291 1.00 0.00 C ATOM 377 O HIS A 24 -9.186 -6.259 9.258 1.00 0.00 O ATOM 378 CB HIS A 24 -10.220 -8.774 9.172 1.00 0.00 C ATOM 379 CG HIS A 24 -10.860 -10.117 9.217 1.00 0.00 C ATOM 380 ND1 HIS A 24 -10.890 -10.989 8.148 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.471 -10.744 10.230 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.503 -12.101 8.514 1.00 0.00 C ATOM 383 NE2 HIS A 24 -11.865 -11.978 9.777 1.00 0.00 N ATOM 0 H HIS A 24 -12.370 -7.284 9.455 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.332 -8.377 11.292 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.511 -8.274 8.248 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.138 -8.898 9.140 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.626 -10.350 11.224 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.678 -12.963 7.887 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -12.356 -12.683 10.326 1.00 0.00 H new ATOM 392 N PRO A 25 -9.723 -5.806 11.394 1.00 0.00 N ATOM 393 CA PRO A 25 -8.970 -4.548 11.437 1.00 0.00 C ATOM 394 C PRO A 25 -7.468 -4.773 11.304 1.00 0.00 C ATOM 395 O PRO A 25 -6.751 -3.941 10.747 1.00 0.00 O ATOM 396 CB PRO A 25 -9.305 -3.973 12.812 1.00 0.00 C ATOM 397 CG PRO A 25 -9.692 -5.153 13.631 1.00 0.00 C ATOM 398 CD PRO A 25 -10.377 -6.097 12.682 1.00 0.00 C ATOM 0 HA PRO A 25 -9.236 -3.886 10.613 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.449 -3.455 13.244 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.118 -3.249 12.751 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.817 -5.619 14.084 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.357 -4.864 14.445 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.240 -7.137 12.978 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.451 -5.917 12.639 1.00 0.00 H new ATOM 406 N GLU A 26 -7.001 -5.904 11.829 1.00 0.00 N ATOM 407 CA GLU A 26 -5.583 -6.250 11.781 1.00 0.00 C ATOM 408 C GLU A 26 -5.049 -6.226 10.351 1.00 0.00 C ATOM 409 O GLU A 26 -3.881 -5.914 10.124 1.00 0.00 O ATOM 410 CB GLU A 26 -5.352 -7.630 12.401 1.00 0.00 C ATOM 411 CG GLU A 26 -6.096 -8.751 11.692 1.00 0.00 C ATOM 412 CD GLU A 26 -5.840 -10.111 12.315 1.00 0.00 C ATOM 413 OE1 GLU A 26 -5.078 -10.179 13.303 1.00 0.00 O ATOM 414 OE2 GLU A 26 -6.400 -11.108 11.812 1.00 0.00 O ATOM 0 H GLU A 26 -7.586 -6.598 12.294 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.040 -5.501 12.357 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.284 -7.850 12.389 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.661 -7.605 13.446 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.166 -8.542 11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.797 -8.774 10.644 1.00 0.00 H new ATOM 421 N ILE A 27 -5.906 -6.564 9.391 1.00 0.00 N ATOM 422 CA ILE A 27 -5.507 -6.582 7.986 1.00 0.00 C ATOM 423 C ILE A 27 -5.135 -5.179 7.523 1.00 0.00 C ATOM 424 O ILE A 27 -4.090 -4.972 6.906 1.00 0.00 O ATOM 425 CB ILE A 27 -6.637 -7.095 7.079 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.475 -8.157 7.796 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.067 -7.642 5.778 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.804 -9.501 7.973 1.00 0.00 C ATOM 0 H ILE A 27 -6.877 -6.828 9.559 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.651 -7.253 7.910 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.292 -6.257 6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.751 -7.775 8.779 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.401 -8.302 7.239 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.880 -8.001 5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.526 -6.852 5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.387 -8.465 5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.481 -10.180 8.491 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.553 -9.914 6.996 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.894 -9.379 8.560 1.00 0.00 H new ATOM 440 N TYR A 28 -6.006 -4.221 7.829 1.00 0.00 N ATOM 441 CA TYR A 28 -5.784 -2.830 7.456 1.00 0.00 C ATOM 442 C TYR A 28 -4.459 -2.332 8.016 1.00 0.00 C ATOM 443 O TYR A 28 -3.649 -1.743 7.299 1.00 0.00 O ATOM 444 CB TYR A 28 -6.927 -1.961 7.978 1.00 0.00 C ATOM 445 CG TYR A 28 -6.776 -0.493 7.661 1.00 0.00 C ATOM 446 CD1 TYR A 28 -6.813 -0.042 6.349 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.579 0.437 8.671 1.00 0.00 C ATOM 448 CE1 TYR A 28 -6.657 1.299 6.053 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.428 1.779 8.385 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.466 2.206 7.075 1.00 0.00 C ATOM 451 OH TYR A 28 -6.310 3.542 6.786 1.00 0.00 O ATOM 0 H TYR A 28 -6.875 -4.385 8.337 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.750 -2.764 6.369 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.865 -2.319 7.554 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.999 -2.083 9.059 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.966 -0.749 5.547 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.543 0.106 9.698 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.684 1.635 5.027 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.281 2.491 9.184 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.187 4.045 7.618 1.00 0.00 H new ATOM 461 N ARG A 29 -4.249 -2.579 9.303 1.00 0.00 N ATOM 462 CA ARG A 29 -3.029 -2.167 9.982 1.00 0.00 C ATOM 463 C ARG A 29 -1.790 -2.740 9.300 1.00 0.00 C ATOM 464 O ARG A 29 -0.878 -2.002 8.927 1.00 0.00 O ATOM 465 CB ARG A 29 -3.079 -2.627 11.434 1.00 0.00 C ATOM 466 CG ARG A 29 -4.166 -1.946 12.248 1.00 0.00 C ATOM 467 CD ARG A 29 -3.925 -0.448 12.360 1.00 0.00 C ATOM 468 NE ARG A 29 -2.643 -0.147 12.991 1.00 0.00 N ATOM 469 CZ ARG A 29 -2.181 1.086 13.174 1.00 0.00 C ATOM 470 NH1 ARG A 29 -2.889 2.130 12.767 1.00 0.00 N ATOM 471 NH2 ARG A 29 -1.007 1.275 13.760 1.00 0.00 N ATOM 0 H ARG A 29 -4.915 -3.067 9.901 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.962 -1.080 9.937 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.238 -3.705 11.460 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.113 -2.436 11.901 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.136 -2.126 11.784 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.204 -2.385 13.245 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.954 -0.001 11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.729 0.007 12.938 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.069 -0.928 13.310 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.791 1.989 12.312 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.532 3.075 12.909 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.457 0.474 14.071 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.653 2.221 13.900 1.00 0.00 H new ATOM 485 N SER A 30 -1.766 -4.059 9.146 1.00 0.00 N ATOM 486 CA SER A 30 -0.640 -4.738 8.512 1.00 0.00 C ATOM 487 C SER A 30 -0.334 -4.128 7.146 1.00 0.00 C ATOM 488 O SER A 30 0.822 -3.845 6.830 1.00 0.00 O ATOM 489 CB SER A 30 -0.934 -6.233 8.369 1.00 0.00 C ATOM 490 OG SER A 30 -1.139 -6.836 9.635 1.00 0.00 O ATOM 0 H SER A 30 -2.514 -4.681 9.452 1.00 0.00 H new ATOM 0 HA SER A 30 0.236 -4.609 9.148 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.818 -6.375 7.748 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.104 -6.723 7.859 1.00 0.00 H new ATOM 0 HG SER A 30 -2.033 -6.607 9.965 1.00 0.00 H new ATOM 496 N PHE A 31 -1.378 -3.915 6.347 1.00 0.00 N ATOM 497 CA PHE A 31 -1.228 -3.324 5.021 1.00 0.00 C ATOM 498 C PHE A 31 -0.447 -2.015 5.099 1.00 0.00 C ATOM 499 O PHE A 31 0.493 -1.789 4.332 1.00 0.00 O ATOM 500 CB PHE A 31 -2.605 -3.066 4.403 1.00 0.00 C ATOM 501 CG PHE A 31 -2.562 -2.238 3.150 1.00 0.00 C ATOM 502 CD1 PHE A 31 -1.949 -2.719 2.005 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.130 -0.973 3.123 1.00 0.00 C ATOM 504 CE1 PHE A 31 -1.904 -1.956 0.853 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.088 -0.206 1.974 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.474 -0.698 0.838 1.00 0.00 C ATOM 0 H PHE A 31 -2.340 -4.144 6.597 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.675 -4.024 4.394 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.077 -4.022 4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.234 -2.564 5.138 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.501 -3.702 2.012 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.610 -0.583 4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.424 -2.343 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.535 0.777 1.964 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.440 -0.100 -0.060 1.00 0.00 H new ATOM 516 N LEU A 32 -0.844 -1.159 6.032 1.00 0.00 N ATOM 517 CA LEU A 32 -0.187 0.126 6.218 1.00 0.00 C ATOM 518 C LEU A 32 1.282 -0.077 6.558 1.00 0.00 C ATOM 519 O LEU A 32 2.149 0.618 6.036 1.00 0.00 O ATOM 520 CB LEU A 32 -0.886 0.921 7.319 1.00 0.00 C ATOM 521 CG LEU A 32 -2.396 1.072 7.138 1.00 0.00 C ATOM 522 CD1 LEU A 32 -2.985 1.937 8.236 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.712 1.652 5.772 1.00 0.00 C ATOM 0 H LEU A 32 -1.619 -1.333 6.672 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.251 0.691 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.695 0.435 8.276 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.439 1.914 7.371 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.849 0.083 7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.061 2.031 8.087 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.791 1.477 9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.527 2.926 8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.792 1.753 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.244 2.632 5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.327 0.989 4.997 1.00 0.00 H new ATOM 535 N GLU A 33 1.553 -1.050 7.424 1.00 0.00 N ATOM 536 CA GLU A 33 2.920 -1.363 7.819 1.00 0.00 C ATOM 537 C GLU A 33 3.729 -1.804 6.607 1.00 0.00 C ATOM 538 O GLU A 33 4.929 -1.557 6.534 1.00 0.00 O ATOM 539 CB GLU A 33 2.932 -2.459 8.889 1.00 0.00 C ATOM 540 CG GLU A 33 2.180 -2.085 10.159 1.00 0.00 C ATOM 541 CD GLU A 33 2.797 -0.903 10.884 1.00 0.00 C ATOM 542 OE1 GLU A 33 2.835 0.201 10.302 1.00 0.00 O ATOM 543 OE2 GLU A 33 3.241 -1.082 12.038 1.00 0.00 O ATOM 0 H GLU A 33 0.843 -1.634 7.865 1.00 0.00 H new ATOM 0 HA GLU A 33 3.374 -0.465 8.238 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.494 -3.366 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.965 -2.693 9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.146 -1.851 9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.158 -2.945 10.829 1.00 0.00 H new ATOM 550 N ILE A 34 3.062 -2.449 5.649 1.00 0.00 N ATOM 551 CA ILE A 34 3.729 -2.900 4.433 1.00 0.00 C ATOM 552 C ILE A 34 4.273 -1.704 3.667 1.00 0.00 C ATOM 553 O ILE A 34 5.471 -1.618 3.392 1.00 0.00 O ATOM 554 CB ILE A 34 2.777 -3.692 3.529 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.233 -4.896 4.290 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.495 -4.132 2.258 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.242 -5.704 3.497 1.00 0.00 C ATOM 0 H ILE A 34 2.067 -2.668 5.693 1.00 0.00 H new ATOM 0 HA ILE A 34 4.547 -3.557 4.728 1.00 0.00 H new ATOM 0 HB ILE A 34 1.942 -3.054 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.064 -5.538 4.582 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.758 -4.552 5.209 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.806 -4.693 1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.849 -3.254 1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.344 -4.764 2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.895 -6.545 4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.393 -5.076 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.719 -6.077 2.591 1.00 0.00 H new ATOM 569 N LEU A 35 3.384 -0.764 3.354 1.00 0.00 N ATOM 570 CA LEU A 35 3.777 0.452 2.654 1.00 0.00 C ATOM 571 C LEU A 35 4.792 1.202 3.508 1.00 0.00 C ATOM 572 O LEU A 35 5.780 1.749 3.011 1.00 0.00 O ATOM 573 CB LEU A 35 2.555 1.339 2.397 1.00 0.00 C ATOM 574 CG LEU A 35 1.427 0.687 1.594 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.166 1.536 1.667 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.843 0.491 0.144 1.00 0.00 C ATOM 0 H LEU A 35 2.390 -0.823 3.574 1.00 0.00 H new ATOM 0 HA LEU A 35 4.219 0.191 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.154 1.663 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.882 2.235 1.870 1.00 0.00 H new ATOM 0 HG LEU A 35 1.219 -0.291 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.627 1.059 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.148 1.633 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.369 2.525 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.027 0.026 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.078 1.458 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.722 -0.152 0.101 1.00 0.00 H new ATOM 588 N HIS A 36 4.532 1.194 4.811 1.00 0.00 N ATOM 589 CA HIS A 36 5.398 1.837 5.786 1.00 0.00 C ATOM 590 C HIS A 36 6.806 1.266 5.710 1.00 0.00 C ATOM 591 O HIS A 36 7.787 2.003 5.747 1.00 0.00 O ATOM 592 CB HIS A 36 4.818 1.648 7.192 1.00 0.00 C ATOM 593 CG HIS A 36 3.937 2.774 7.633 1.00 0.00 C ATOM 594 ND1 HIS A 36 4.351 4.090 7.657 1.00 0.00 N ATOM 595 CD2 HIS A 36 2.658 2.776 8.078 1.00 0.00 C ATOM 596 CE1 HIS A 36 3.366 4.852 8.098 1.00 0.00 C ATOM 597 NE2 HIS A 36 2.328 4.079 8.359 1.00 0.00 N ATOM 0 H HIS A 36 3.714 0.741 5.219 1.00 0.00 H new ATOM 0 HA HIS A 36 5.453 2.903 5.563 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.248 0.720 7.219 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.638 1.539 7.902 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.017 1.914 8.191 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.403 5.924 8.224 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.426 4.398 8.712 1.00 0.00 H new ATOM 606 N THR A 37 6.895 -0.052 5.586 1.00 0.00 N ATOM 607 CA THR A 37 8.180 -0.730 5.487 1.00 0.00 C ATOM 608 C THR A 37 8.950 -0.228 4.274 1.00 0.00 C ATOM 609 O THR A 37 10.176 -0.133 4.296 1.00 0.00 O ATOM 610 CB THR A 37 7.998 -2.258 5.380 1.00 0.00 C ATOM 611 OG1 THR A 37 7.299 -2.748 6.529 1.00 0.00 O ATOM 612 CG2 THR A 37 9.341 -2.964 5.265 1.00 0.00 C ATOM 0 H THR A 37 6.088 -0.675 5.552 1.00 0.00 H new ATOM 0 HA THR A 37 8.742 -0.508 6.394 1.00 0.00 H new ATOM 0 HB THR A 37 7.419 -2.466 4.480 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.342 -2.557 6.436 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.181 -4.040 5.191 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.862 -2.612 4.374 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.943 -2.746 6.147 1.00 0.00 H new ATOM 620 N TYR A 38 8.212 0.097 3.218 1.00 0.00 N ATOM 621 CA TYR A 38 8.807 0.598 1.990 1.00 0.00 C ATOM 622 C TYR A 38 9.524 1.922 2.225 1.00 0.00 C ATOM 623 O TYR A 38 10.734 2.031 2.030 1.00 0.00 O ATOM 624 CB TYR A 38 7.721 0.797 0.935 1.00 0.00 C ATOM 625 CG TYR A 38 8.211 1.496 -0.309 1.00 0.00 C ATOM 626 CD1 TYR A 38 9.161 0.908 -1.132 1.00 0.00 C ATOM 627 CD2 TYR A 38 7.730 2.753 -0.650 1.00 0.00 C ATOM 628 CE1 TYR A 38 9.618 1.553 -2.265 1.00 0.00 C ATOM 629 CE2 TYR A 38 8.181 3.405 -1.781 1.00 0.00 C ATOM 630 CZ TYR A 38 9.125 2.801 -2.586 1.00 0.00 C ATOM 631 OH TYR A 38 9.576 3.445 -3.715 1.00 0.00 O ATOM 0 H TYR A 38 7.195 0.021 3.191 1.00 0.00 H new ATOM 0 HA TYR A 38 9.536 -0.136 1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.312 -0.175 0.659 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.905 1.375 1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.549 -0.069 -0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.992 3.228 -0.021 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.357 1.083 -2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.797 4.382 -2.034 1.00 0.00 H new ATOM 0 HH TYR A 38 9.129 4.313 -3.797 1.00 0.00 H new ATOM 641 N GLN A 39 8.757 2.928 2.630 1.00 0.00 N ATOM 642 CA GLN A 39 9.303 4.259 2.876 1.00 0.00 C ATOM 643 C GLN A 39 10.376 4.253 3.965 1.00 0.00 C ATOM 644 O GLN A 39 11.407 4.905 3.825 1.00 0.00 O ATOM 645 CB GLN A 39 8.193 5.233 3.247 1.00 0.00 C ATOM 646 CG GLN A 39 7.234 5.517 2.105 1.00 0.00 C ATOM 647 CD GLN A 39 6.415 6.773 2.327 1.00 0.00 C ATOM 648 OE1 GLN A 39 6.717 7.496 3.400 1.00 0.00 O flip ATOM 649 NE2 GLN A 39 5.527 7.096 1.538 1.00 0.00 N flip ATOM 0 H GLN A 39 7.754 2.848 2.795 1.00 0.00 H new ATOM 0 HA GLN A 39 9.775 4.584 1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.633 4.830 4.090 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.638 6.171 3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.799 5.616 1.178 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.562 4.668 1.980 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.328 6.511 0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.990 7.949 1.696 1.00 0.00 H new ATOM 658 N LYS A 40 10.129 3.529 5.049 1.00 0.00 N ATOM 659 CA LYS A 40 11.081 3.462 6.156 1.00 0.00 C ATOM 660 C LYS A 40 12.470 3.039 5.678 1.00 0.00 C ATOM 661 O LYS A 40 13.481 3.573 6.134 1.00 0.00 O ATOM 662 CB LYS A 40 10.586 2.490 7.231 1.00 0.00 C ATOM 663 CG LYS A 40 9.353 2.978 7.979 1.00 0.00 C ATOM 664 CD LYS A 40 8.846 1.938 8.969 1.00 0.00 C ATOM 665 CE LYS A 40 9.878 1.631 10.043 1.00 0.00 C ATOM 666 NZ LYS A 40 9.403 0.584 10.990 1.00 0.00 N ATOM 0 H LYS A 40 9.280 2.980 5.188 1.00 0.00 H new ATOM 0 HA LYS A 40 11.157 4.463 6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.361 1.531 6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.389 2.315 7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.591 3.900 8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.564 3.215 7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.930 2.298 9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.593 1.022 8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.804 1.301 9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.108 2.542 10.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.136 0.405 11.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.533 0.909 11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.207 -0.294 10.468 1.00 0.00 H new ATOM 680 N GLU A 41 12.513 2.070 4.771 1.00 0.00 N ATOM 681 CA GLU A 41 13.780 1.568 4.245 1.00 0.00 C ATOM 682 C GLU A 41 14.457 2.579 3.318 1.00 0.00 C ATOM 683 O GLU A 41 15.647 2.861 3.461 1.00 0.00 O ATOM 684 CB GLU A 41 13.555 0.250 3.502 1.00 0.00 C ATOM 685 CG GLU A 41 14.833 -0.375 2.961 1.00 0.00 C ATOM 686 CD GLU A 41 15.785 -0.819 4.058 1.00 0.00 C ATOM 687 OE1 GLU A 41 15.430 -0.681 5.248 1.00 0.00 O ATOM 688 OE2 GLU A 41 16.885 -1.310 3.727 1.00 0.00 O ATOM 0 H GLU A 41 11.686 1.615 4.384 1.00 0.00 H new ATOM 0 HA GLU A 41 14.443 1.402 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.072 -0.458 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.867 0.423 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.577 -1.233 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.339 0.345 2.317 1.00 0.00 H new ATOM 695 N GLN A 42 13.701 3.105 2.356 1.00 0.00 N ATOM 696 CA GLN A 42 14.227 4.059 1.396 1.00 0.00 C ATOM 697 C GLN A 42 14.739 5.329 2.078 1.00 0.00 C ATOM 698 O GLN A 42 15.771 5.875 1.687 1.00 0.00 O ATOM 699 CB GLN A 42 13.141 4.403 0.380 1.00 0.00 C ATOM 700 CG GLN A 42 12.001 5.226 0.954 1.00 0.00 C ATOM 701 CD GLN A 42 10.877 5.471 -0.040 1.00 0.00 C ATOM 702 OE1 GLN A 42 9.896 6.145 0.275 1.00 0.00 O ATOM 703 NE2 GLN A 42 11.009 4.924 -1.244 1.00 0.00 N ATOM 0 H GLN A 42 12.715 2.881 2.225 1.00 0.00 H new ATOM 0 HA GLN A 42 15.076 3.601 0.889 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.592 4.951 -0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.737 3.479 -0.033 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.598 4.716 1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.390 6.185 1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.838 4.372 -1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.282 5.056 -1.947 1.00 0.00 H new ATOM 712 N LEU A 43 14.013 5.797 3.091 1.00 0.00 N ATOM 713 CA LEU A 43 14.402 7.004 3.815 1.00 0.00 C ATOM 714 C LEU A 43 15.799 6.859 4.408 1.00 0.00 C ATOM 715 O LEU A 43 16.127 5.826 4.992 1.00 0.00 O ATOM 716 CB LEU A 43 13.397 7.316 4.925 1.00 0.00 C ATOM 717 CG LEU A 43 12.000 7.725 4.449 1.00 0.00 C ATOM 718 CD1 LEU A 43 11.055 7.861 5.631 1.00 0.00 C ATOM 719 CD2 LEU A 43 12.057 9.028 3.667 1.00 0.00 C ATOM 0 H LEU A 43 13.155 5.360 3.428 1.00 0.00 H new ATOM 0 HA LEU A 43 14.410 7.829 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.302 6.438 5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.801 8.118 5.543 1.00 0.00 H new ATOM 0 HG LEU A 43 11.623 6.944 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.067 8.152 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.986 6.907 6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.433 8.622 6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.054 9.299 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.456 9.817 4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.702 8.902 2.797 1.00 0.00 H new ATOM 731 N HIS A 44 16.615 7.897 4.229 1.00 0.00 N ATOM 732 CA HIS A 44 17.990 7.912 4.718 1.00 0.00 C ATOM 733 C HIS A 44 18.850 7.068 3.802 1.00 0.00 C ATOM 734 O HIS A 44 19.607 6.203 4.248 1.00 0.00 O ATOM 735 CB HIS A 44 18.084 7.403 6.162 1.00 0.00 C ATOM 736 CG HIS A 44 17.246 8.174 7.139 1.00 0.00 C ATOM 737 ND1 HIS A 44 17.241 7.910 8.493 1.00 0.00 N ATOM 738 CD2 HIS A 44 16.380 9.201 6.955 1.00 0.00 C ATOM 739 CE1 HIS A 44 16.410 8.741 9.098 1.00 0.00 C ATOM 740 NE2 HIS A 44 15.877 9.533 8.188 1.00 0.00 N ATOM 0 H HIS A 44 16.340 8.750 3.741 1.00 0.00 H new ATOM 0 HA HIS A 44 18.348 8.942 4.717 1.00 0.00 H new ATOM 0 HB2 HIS A 44 17.782 6.356 6.187 1.00 0.00 H new ATOM 0 HB3 HIS A 44 19.125 7.442 6.483 1.00 0.00 H new ATOM 0 HD2 HIS A 44 16.132 9.670 6.014 1.00 0.00 H new ATOM 0 HE1 HIS A 44 16.203 8.767 10.158 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.200 10.273 8.371 1.00 0.00 H new ATOM 749 N THR A 45 18.705 7.321 2.506 1.00 0.00 N ATOM 750 CA THR A 45 19.438 6.589 1.496 1.00 0.00 C ATOM 751 C THR A 45 20.933 6.592 1.787 1.00 0.00 C ATOM 752 O THR A 45 21.488 7.602 2.218 1.00 0.00 O ATOM 753 CB THR A 45 19.194 7.165 0.099 1.00 0.00 C ATOM 754 OG1 THR A 45 17.790 7.212 -0.176 1.00 0.00 O ATOM 755 CG2 THR A 45 19.896 6.335 -0.969 1.00 0.00 C ATOM 0 H THR A 45 18.079 8.035 2.134 1.00 0.00 H new ATOM 0 HA THR A 45 19.072 5.563 1.523 1.00 0.00 H new ATOM 0 HB THR A 45 19.604 8.175 0.077 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.308 6.678 0.489 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.705 6.768 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 45 20.969 6.329 -0.778 1.00 0.00 H new ATOM 0 HG23 THR A 45 19.517 5.313 -0.943 1.00 0.00 H new ATOM 763 N LYS A 46 21.582 5.456 1.556 1.00 0.00 N ATOM 764 CA LYS A 46 23.013 5.336 1.802 1.00 0.00 C ATOM 765 C LYS A 46 23.708 4.623 0.647 1.00 0.00 C ATOM 766 O LYS A 46 24.658 5.148 0.067 1.00 0.00 O ATOM 767 CB LYS A 46 23.257 4.578 3.109 1.00 0.00 C ATOM 768 CG LYS A 46 22.626 5.238 4.326 1.00 0.00 C ATOM 769 CD LYS A 46 23.200 6.623 4.576 1.00 0.00 C ATOM 770 CE LYS A 46 22.539 7.293 5.770 1.00 0.00 C ATOM 771 NZ LYS A 46 22.710 6.500 7.018 1.00 0.00 N ATOM 0 H LYS A 46 21.141 4.608 1.200 1.00 0.00 H new ATOM 0 HA LYS A 46 23.431 6.339 1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 46 22.864 3.566 3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 46 24.331 4.488 3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 46 21.548 5.311 4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.788 4.613 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 46 24.274 6.547 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.062 7.241 3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.965 8.286 5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.476 7.427 5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.429 7.076 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 22.114 5.649 6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 23.707 6.220 7.117 1.00 0.00 H new ATOM 785 N GLY A 47 23.225 3.431 0.313 1.00 0.00 N ATOM 786 CA GLY A 47 23.814 2.675 -0.778 1.00 0.00 C ATOM 787 C GLY A 47 23.428 3.226 -2.136 1.00 0.00 C ATOM 788 O GLY A 47 23.222 4.430 -2.289 1.00 0.00 O ATOM 0 H GLY A 47 22.439 2.976 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 47 24.899 2.686 -0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.498 1.634 -0.708 1.00 0.00 H new ATOM 792 N ARG A 48 23.318 2.343 -3.124 1.00 0.00 N ATOM 793 CA ARG A 48 22.943 2.748 -4.472 1.00 0.00 C ATOM 794 C ARG A 48 21.439 2.999 -4.554 1.00 0.00 C ATOM 795 O ARG A 48 20.649 2.245 -3.986 1.00 0.00 O ATOM 796 CB ARG A 48 23.352 1.680 -5.487 1.00 0.00 C ATOM 797 CG ARG A 48 24.839 1.368 -5.476 1.00 0.00 C ATOM 798 CD ARG A 48 25.229 0.376 -6.566 1.00 0.00 C ATOM 799 NE ARG A 48 24.558 -0.916 -6.424 1.00 0.00 N ATOM 800 CZ ARG A 48 23.338 -1.180 -6.889 1.00 0.00 C ATOM 801 NH1 ARG A 48 22.668 -0.263 -7.575 1.00 0.00 N ATOM 802 NH2 ARG A 48 22.794 -2.372 -6.684 1.00 0.00 N ATOM 0 H ARG A 48 23.484 1.342 -3.015 1.00 0.00 H new ATOM 0 HA ARG A 48 23.467 3.674 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 48 22.796 0.765 -5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 48 23.066 2.011 -6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 48 25.403 2.291 -5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 48 25.116 0.963 -4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 48 24.987 0.800 -7.540 1.00 0.00 H new ATOM 0 HD3 ARG A 48 26.308 0.224 -6.543 1.00 0.00 H new ATOM 0 HE ARG A 48 25.056 -1.662 -5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 48 23.087 0.651 -7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 48 21.734 -0.472 -7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 48 23.310 -3.086 -6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 48 21.860 -2.574 -7.040 1.00 0.00 H new ATOM 816 N PRO A 49 21.018 4.062 -5.263 1.00 0.00 N ATOM 817 CA PRO A 49 19.600 4.396 -5.408 1.00 0.00 C ATOM 818 C PRO A 49 18.795 3.222 -5.955 1.00 0.00 C ATOM 819 O PRO A 49 19.095 2.701 -7.028 1.00 0.00 O ATOM 820 CB PRO A 49 19.590 5.566 -6.404 1.00 0.00 C ATOM 821 CG PRO A 49 20.955 5.588 -7.010 1.00 0.00 C ATOM 822 CD PRO A 49 21.880 5.017 -5.975 1.00 0.00 C ATOM 0 HA PRO A 49 19.142 4.645 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 49 18.824 5.425 -7.167 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.369 6.507 -5.901 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.984 4.998 -7.926 1.00 0.00 H new ATOM 0 HG3 PRO A 49 21.247 6.604 -7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 49 22.741 4.526 -6.428 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.267 5.788 -5.309 1.00 0.00 H new ATOM 830 N PHE A 50 17.776 2.813 -5.200 1.00 0.00 N ATOM 831 CA PHE A 50 16.919 1.697 -5.591 1.00 0.00 C ATOM 832 C PHE A 50 17.712 0.391 -5.652 1.00 0.00 C ATOM 833 O PHE A 50 18.692 0.280 -6.389 1.00 0.00 O ATOM 834 CB PHE A 50 16.263 1.980 -6.946 1.00 0.00 C ATOM 835 CG PHE A 50 15.447 0.834 -7.481 1.00 0.00 C ATOM 836 CD1 PHE A 50 14.494 0.212 -6.689 1.00 0.00 C ATOM 837 CD2 PHE A 50 15.637 0.379 -8.777 1.00 0.00 C ATOM 838 CE1 PHE A 50 13.747 -0.841 -7.180 1.00 0.00 C ATOM 839 CE2 PHE A 50 14.892 -0.675 -9.272 1.00 0.00 C ATOM 840 CZ PHE A 50 13.947 -1.285 -8.473 1.00 0.00 C ATOM 0 H PHE A 50 17.524 3.241 -4.309 1.00 0.00 H new ATOM 0 HA PHE A 50 16.140 1.588 -4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.622 2.857 -6.852 1.00 0.00 H new ATOM 0 HB3 PHE A 50 17.039 2.229 -7.669 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.334 0.555 -5.677 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.375 0.853 -9.407 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.007 -1.317 -6.554 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.050 -1.021 -10.283 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.364 -2.109 -8.858 1.00 0.00 H new ATOM 850 N ARG A 51 17.272 -0.600 -4.876 1.00 0.00 N ATOM 851 CA ARG A 51 17.935 -1.902 -4.842 1.00 0.00 C ATOM 852 C ARG A 51 17.205 -2.863 -3.919 1.00 0.00 C ATOM 853 O ARG A 51 16.958 -4.019 -4.261 1.00 0.00 O ATOM 854 CB ARG A 51 19.388 -1.756 -4.383 1.00 0.00 C ATOM 855 CG ARG A 51 20.171 -3.051 -4.418 1.00 0.00 C ATOM 856 CD ARG A 51 21.558 -2.885 -3.816 1.00 0.00 C ATOM 857 NE ARG A 51 21.502 -2.582 -2.389 1.00 0.00 N ATOM 858 CZ ARG A 51 22.579 -2.411 -1.628 1.00 0.00 C ATOM 859 NH1 ARG A 51 23.791 -2.498 -2.159 1.00 0.00 N ATOM 860 NH2 ARG A 51 22.443 -2.149 -0.334 1.00 0.00 N ATOM 0 H ARG A 51 16.460 -0.525 -4.263 1.00 0.00 H new ATOM 0 HA ARG A 51 17.918 -2.307 -5.854 1.00 0.00 H new ATOM 0 HB2 ARG A 51 19.888 -1.023 -5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.401 -1.362 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 51 19.626 -3.821 -3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 51 20.260 -3.395 -5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 51 22.132 -3.799 -3.970 1.00 0.00 H new ATOM 0 HD3 ARG A 51 22.086 -2.085 -4.336 1.00 0.00 H new ATOM 0 HE ARG A 51 20.585 -2.497 -1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 51 23.899 -2.697 -3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 51 24.615 -2.366 -1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 51 21.512 -2.079 0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 51 23.269 -2.018 0.249 1.00 0.00 H new ATOM 874 N GLY A 52 16.878 -2.362 -2.752 1.00 0.00 N ATOM 875 CA GLY A 52 16.183 -3.157 -1.755 1.00 0.00 C ATOM 876 C GLY A 52 14.714 -3.326 -2.053 1.00 0.00 C ATOM 877 O GLY A 52 14.325 -3.728 -3.149 1.00 0.00 O ATOM 0 H GLY A 52 17.081 -1.405 -2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.650 -4.140 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 52 16.298 -2.686 -0.779 1.00 0.00 H new ATOM 881 N MET A 53 13.904 -3.016 -1.055 1.00 0.00 N ATOM 882 CA MET A 53 12.462 -3.124 -1.161 1.00 0.00 C ATOM 883 C MET A 53 11.911 -2.118 -2.161 1.00 0.00 C ATOM 884 O MET A 53 12.426 -1.007 -2.290 1.00 0.00 O ATOM 885 CB MET A 53 11.842 -2.899 0.211 1.00 0.00 C ATOM 886 CG MET A 53 10.351 -3.195 0.272 1.00 0.00 C ATOM 887 SD MET A 53 9.650 -2.868 1.901 1.00 0.00 S ATOM 888 CE MET A 53 7.934 -3.303 1.633 1.00 0.00 C ATOM 0 H MET A 53 14.230 -2.682 -0.148 1.00 0.00 H new ATOM 0 HA MET A 53 12.208 -4.122 -1.519 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.357 -3.527 0.938 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.009 -1.864 0.509 1.00 0.00 H new ATOM 0 HG2 MET A 53 9.833 -2.590 -0.472 1.00 0.00 H new ATOM 0 HG3 MET A 53 10.180 -4.239 0.009 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.302 -2.444 1.858 1.00 0.00 H new ATOM 0 HE2 MET A 53 7.791 -3.597 0.593 1.00 0.00 H new ATOM 0 HE3 MET A 53 7.663 -4.133 2.285 1.00 0.00 H new ATOM 898 N SER A 54 10.860 -2.515 -2.865 1.00 0.00 N ATOM 899 CA SER A 54 10.236 -1.650 -3.852 1.00 0.00 C ATOM 900 C SER A 54 8.806 -2.112 -4.121 1.00 0.00 C ATOM 901 O SER A 54 8.157 -2.672 -3.237 1.00 0.00 O ATOM 902 CB SER A 54 11.056 -1.654 -5.147 1.00 0.00 C ATOM 903 OG SER A 54 10.588 -0.677 -6.060 1.00 0.00 O ATOM 0 H SER A 54 10.423 -3.431 -2.770 1.00 0.00 H new ATOM 0 HA SER A 54 10.205 -0.631 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.104 -1.465 -4.916 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.004 -2.640 -5.609 1.00 0.00 H new ATOM 0 HG SER A 54 11.309 -0.436 -6.679 1.00 0.00 H new ATOM 909 N GLU A 55 8.318 -1.881 -5.333 1.00 0.00 N ATOM 910 CA GLU A 55 6.966 -2.280 -5.692 1.00 0.00 C ATOM 911 C GLU A 55 6.822 -3.797 -5.672 1.00 0.00 C ATOM 912 O GLU A 55 5.754 -4.326 -5.369 1.00 0.00 O ATOM 913 CB GLU A 55 6.597 -1.735 -7.069 1.00 0.00 C ATOM 914 CG GLU A 55 6.767 -0.232 -7.177 1.00 0.00 C ATOM 915 CD GLU A 55 6.030 0.523 -6.089 1.00 0.00 C ATOM 916 OE1 GLU A 55 4.794 0.391 -6.008 1.00 0.00 O ATOM 917 OE2 GLU A 55 6.692 1.249 -5.317 1.00 0.00 O ATOM 0 H GLU A 55 8.837 -1.421 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 55 6.283 -1.861 -4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.216 -2.220 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.562 -1.995 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.828 0.013 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.408 0.101 -8.151 1.00 0.00 H new ATOM 924 N GLU A 56 7.907 -4.489 -6.006 1.00 0.00 N ATOM 925 CA GLU A 56 7.909 -5.946 -6.039 1.00 0.00 C ATOM 926 C GLU A 56 7.575 -6.545 -4.673 1.00 0.00 C ATOM 927 O GLU A 56 6.716 -7.422 -4.569 1.00 0.00 O ATOM 928 CB GLU A 56 9.269 -6.461 -6.518 1.00 0.00 C ATOM 929 CG GLU A 56 10.443 -5.958 -5.693 1.00 0.00 C ATOM 930 CD GLU A 56 11.777 -6.469 -6.205 1.00 0.00 C ATOM 931 OE1 GLU A 56 12.113 -6.184 -7.374 1.00 0.00 O ATOM 932 OE2 GLU A 56 12.486 -7.153 -5.436 1.00 0.00 O ATOM 0 H GLU A 56 8.798 -4.062 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 56 7.134 -6.261 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.262 -7.551 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.414 -6.164 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.448 -4.868 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.313 -6.268 -4.656 1.00 0.00 H new ATOM 939 N GLU A 57 8.262 -6.083 -3.630 1.00 0.00 N ATOM 940 CA GLU A 57 8.032 -6.597 -2.283 1.00 0.00 C ATOM 941 C GLU A 57 6.715 -6.090 -1.702 1.00 0.00 C ATOM 942 O GLU A 57 5.935 -6.869 -1.157 1.00 0.00 O ATOM 943 CB GLU A 57 9.192 -6.232 -1.358 1.00 0.00 C ATOM 944 CG GLU A 57 8.993 -6.704 0.075 1.00 0.00 C ATOM 945 CD GLU A 57 10.247 -6.573 0.916 1.00 0.00 C ATOM 946 OE1 GLU A 57 11.266 -7.206 0.568 1.00 0.00 O ATOM 947 OE2 GLU A 57 10.212 -5.837 1.925 1.00 0.00 O ATOM 0 H GLU A 57 8.978 -5.359 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 57 7.969 -7.683 -2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.111 -6.666 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.323 -5.150 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.191 -6.127 0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.673 -7.746 0.068 1.00 0.00 H new ATOM 954 N VAL A 58 6.466 -4.787 -1.814 1.00 0.00 N ATOM 955 CA VAL A 58 5.234 -4.207 -1.288 1.00 0.00 C ATOM 956 C VAL A 58 4.024 -4.952 -1.835 1.00 0.00 C ATOM 957 O VAL A 58 3.102 -5.292 -1.095 1.00 0.00 O ATOM 958 CB VAL A 58 5.107 -2.710 -1.636 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.795 -2.147 -1.109 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.287 -1.930 -1.077 1.00 0.00 C ATOM 0 H VAL A 58 7.095 -4.119 -2.260 1.00 0.00 H new ATOM 0 HA VAL A 58 5.272 -4.304 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 58 5.112 -2.608 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.724 -1.090 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.961 -2.686 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.759 -2.262 -0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.180 -0.876 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.315 -2.040 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.213 -2.315 -1.505 1.00 0.00 H new ATOM 970 N PHE A 59 4.047 -5.219 -3.134 1.00 0.00 N ATOM 971 CA PHE A 59 2.968 -5.944 -3.790 1.00 0.00 C ATOM 972 C PHE A 59 2.833 -7.341 -3.196 1.00 0.00 C ATOM 973 O PHE A 59 1.744 -7.913 -3.160 1.00 0.00 O ATOM 974 CB PHE A 59 3.238 -6.038 -5.294 1.00 0.00 C ATOM 975 CG PHE A 59 2.146 -6.720 -6.070 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.837 -6.269 -5.996 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.431 -7.810 -6.876 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.167 -6.893 -6.712 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.431 -8.440 -7.594 1.00 0.00 C ATOM 980 CZ PHE A 59 0.131 -7.980 -7.512 1.00 0.00 C ATOM 0 H PHE A 59 4.806 -4.942 -3.757 1.00 0.00 H new ATOM 0 HA PHE A 59 2.035 -5.404 -3.630 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.378 -5.033 -5.691 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.173 -6.576 -5.452 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.599 -5.420 -5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.446 -8.172 -6.944 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.183 -6.532 -6.647 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.666 -9.290 -8.218 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.652 -8.469 -8.073 1.00 0.00 H new ATOM 990 N THR A 60 3.960 -7.884 -2.744 1.00 0.00 N ATOM 991 CA THR A 60 3.997 -9.219 -2.162 1.00 0.00 C ATOM 992 C THR A 60 3.235 -9.299 -0.838 1.00 0.00 C ATOM 993 O THR A 60 2.263 -10.046 -0.724 1.00 0.00 O ATOM 994 CB THR A 60 5.452 -9.679 -1.939 1.00 0.00 C ATOM 995 OG1 THR A 60 6.128 -9.798 -3.197 1.00 0.00 O ATOM 996 CG2 THR A 60 5.507 -11.009 -1.205 1.00 0.00 C ATOM 0 H THR A 60 4.865 -7.415 -2.771 1.00 0.00 H new ATOM 0 HA THR A 60 3.506 -9.880 -2.876 1.00 0.00 H new ATOM 0 HB THR A 60 5.948 -8.928 -1.325 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.274 -8.906 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.547 -11.304 -1.064 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.024 -10.909 -0.233 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.990 -11.769 -1.791 1.00 0.00 H new ATOM 1004 N GLU A 61 3.680 -8.539 0.163 1.00 0.00 N ATOM 1005 CA GLU A 61 3.034 -8.550 1.474 1.00 0.00 C ATOM 1006 C GLU A 61 1.555 -8.193 1.377 1.00 0.00 C ATOM 1007 O GLU A 61 0.721 -8.807 2.041 1.00 0.00 O ATOM 1008 CB GLU A 61 3.736 -7.598 2.445 1.00 0.00 C ATOM 1009 CG GLU A 61 5.085 -8.101 2.929 1.00 0.00 C ATOM 1010 CD GLU A 61 6.130 -8.107 1.837 1.00 0.00 C ATOM 1011 OE1 GLU A 61 6.421 -7.022 1.299 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.655 -9.195 1.519 1.00 0.00 O ATOM 0 H GLU A 61 4.481 -7.911 0.091 1.00 0.00 H new ATOM 0 HA GLU A 61 3.116 -9.567 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.872 -6.632 1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.090 -7.432 3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.428 -7.474 3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.972 -9.111 3.324 1.00 0.00 H new ATOM 1019 N VAL A 62 1.228 -7.203 0.552 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.159 -6.789 0.391 1.00 0.00 C ATOM 1021 C VAL A 62 -0.986 -7.921 -0.205 1.00 0.00 C ATOM 1022 O VAL A 62 -2.090 -8.206 0.260 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.289 -5.546 -0.506 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -1.752 -5.170 -0.679 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.502 -4.385 0.077 1.00 0.00 C ATOM 0 H VAL A 62 1.898 -6.678 -0.010 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.532 -6.537 1.384 1.00 0.00 H new ATOM 0 HB VAL A 62 0.123 -5.779 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.828 -4.289 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.289 -5.999 -1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.189 -4.952 0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.399 -3.514 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.120 -4.147 1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.554 -4.661 0.149 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.440 -8.575 -1.225 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.125 -9.688 -1.866 1.00 0.00 C ATOM 1037 C ALA A 63 -1.354 -10.808 -0.859 1.00 0.00 C ATOM 1038 O ALA A 63 -2.423 -11.417 -0.818 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.325 -10.195 -3.056 1.00 0.00 C ATOM 0 H ALA A 63 0.472 -8.353 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.092 -9.341 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.853 -11.027 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.203 -9.391 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.655 -10.531 -2.719 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.335 -11.060 -0.040 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.405 -12.091 0.988 1.00 0.00 C ATOM 1047 C ASN A 64 -1.500 -11.772 2.004 1.00 0.00 C ATOM 1048 O ASN A 64 -2.249 -12.654 2.422 1.00 0.00 O ATOM 1049 CB ASN A 64 0.950 -12.227 1.692 1.00 0.00 C ATOM 1050 CG ASN A 64 2.015 -12.830 0.793 1.00 0.00 C ATOM 1051 OD1 ASN A 64 3.125 -12.118 0.611 1.00 0.00 O flip ATOM 1052 ND2 ASN A 64 1.847 -13.932 0.270 1.00 0.00 N flip ATOM 0 H ASN A 64 0.553 -10.560 -0.071 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.651 -13.038 0.508 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.279 -11.245 2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.834 -12.849 2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.982 -14.448 0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.573 -14.329 -0.327 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.587 -10.500 2.389 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.590 -10.049 3.346 1.00 0.00 C ATOM 1061 C LEU A 65 -3.997 -10.233 2.803 1.00 0.00 C ATOM 1062 O LEU A 65 -4.798 -10.990 3.352 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.376 -8.572 3.652 1.00 0.00 C ATOM 1064 CG LEU A 65 -1.728 -8.256 4.994 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.495 -6.763 5.100 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -2.604 -8.746 6.140 1.00 0.00 C ATOM 0 H LEU A 65 -0.971 -9.762 2.050 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.481 -10.648 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.758 -8.143 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.342 -8.069 3.610 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.770 -8.772 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.031 -6.534 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.838 -6.439 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.448 -6.240 5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.125 -8.511 7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.575 -8.253 6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.740 -9.824 6.059 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.287 -9.511 1.728 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.598 -9.556 1.090 1.00 0.00 C ATOM 1080 C PHE A 66 -5.804 -10.859 0.318 1.00 0.00 C ATOM 1081 O PHE A 66 -6.391 -10.853 -0.765 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.752 -8.369 0.134 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.648 -7.010 0.783 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.464 -6.872 2.152 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.726 -5.864 0.005 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.363 -5.620 2.730 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.626 -4.611 0.579 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.445 -4.488 1.942 1.00 0.00 C ATOM 0 H PHE A 66 -3.625 -8.881 1.275 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.352 -9.503 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.989 -8.444 -0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.719 -8.445 -0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.399 -7.753 2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.867 -5.952 -1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.220 -5.527 3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.689 -3.728 -0.039 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.368 -3.509 2.391 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.329 -11.973 0.869 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.482 -13.263 0.210 1.00 0.00 C ATOM 1100 C ARG A 67 -6.957 -13.613 0.076 1.00 0.00 C ATOM 1101 O ARG A 67 -7.717 -13.520 1.039 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.745 -14.359 0.986 1.00 0.00 C ATOM 1103 CG ARG A 67 -4.820 -15.729 0.329 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.212 -15.717 -1.066 1.00 0.00 C ATOM 1105 NE ARG A 67 -4.269 -17.031 -1.700 1.00 0.00 N ATOM 1106 CZ ARG A 67 -3.854 -17.270 -2.940 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -3.374 -16.282 -3.684 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -3.922 -18.497 -3.440 1.00 0.00 N ATOM 0 H ARG A 67 -4.839 -12.007 1.763 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.044 -13.195 -0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.698 -14.074 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.163 -14.424 1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.297 -16.459 0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.861 -16.048 0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.741 -14.993 -1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.174 -15.388 -1.006 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.649 -17.809 -1.161 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.323 -15.337 -3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.056 -16.468 -4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.293 -19.259 -2.873 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.603 -18.678 -4.392 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.358 -14.001 -1.127 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.746 -14.338 -1.372 1.00 0.00 C ATOM 1124 C GLY A 68 -9.553 -13.124 -1.789 1.00 0.00 C ATOM 1125 O GLY A 68 -10.338 -13.189 -2.735 1.00 0.00 O ATOM 0 H GLY A 68 -6.746 -14.088 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.804 -15.098 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.180 -14.771 -0.471 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.347 -12.010 -1.091 1.00 0.00 N ATOM 1130 CA GLN A 69 -10.049 -10.770 -1.407 1.00 0.00 C ATOM 1131 C GLN A 69 -9.294 -9.993 -2.482 1.00 0.00 C ATOM 1132 O GLN A 69 -8.944 -8.826 -2.295 1.00 0.00 O ATOM 1133 CB GLN A 69 -10.228 -9.901 -0.158 1.00 0.00 C ATOM 1134 CG GLN A 69 -11.021 -10.579 0.950 1.00 0.00 C ATOM 1135 CD GLN A 69 -10.167 -11.479 1.826 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -8.849 -11.341 1.721 1.00 0.00 O flip ATOM 1137 NE2 GLN A 69 -10.689 -12.270 2.612 1.00 0.00 N flip ATOM 0 H GLN A 69 -8.701 -11.941 -0.305 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.038 -11.031 -1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.246 -9.626 0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.731 -8.976 -0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -11.491 -9.817 1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.823 -11.168 0.506 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.705 -12.345 2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.105 -12.851 3.214 1.00 0.00 H new ATOM 1146 N GLU A 70 -9.036 -10.657 -3.604 1.00 0.00 N ATOM 1147 CA GLU A 70 -8.308 -10.052 -4.716 1.00 0.00 C ATOM 1148 C GLU A 70 -9.021 -8.825 -5.283 1.00 0.00 C ATOM 1149 O GLU A 70 -8.500 -8.162 -6.180 1.00 0.00 O ATOM 1150 CB GLU A 70 -8.091 -11.080 -5.812 1.00 0.00 C ATOM 1151 CG GLU A 70 -7.116 -12.168 -5.411 1.00 0.00 C ATOM 1152 CD GLU A 70 -5.733 -11.636 -5.076 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -5.606 -10.880 -4.088 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -4.776 -11.977 -5.801 1.00 0.00 O ATOM 0 H GLU A 70 -9.323 -11.622 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.347 -9.715 -4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.047 -11.533 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.721 -10.578 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.512 -12.702 -4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.034 -12.891 -6.223 1.00 0.00 H new ATOM 1161 N ASP A 71 -10.209 -8.523 -4.763 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.971 -7.371 -5.235 1.00 0.00 C ATOM 1163 C ASP A 71 -10.193 -6.083 -5.003 1.00 0.00 C ATOM 1164 O ASP A 71 -10.023 -5.274 -5.915 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.322 -7.301 -4.527 1.00 0.00 C ATOM 1166 CG ASP A 71 -13.168 -6.129 -4.993 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -12.734 -4.972 -4.812 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -14.264 -6.370 -5.540 1.00 0.00 O ATOM 0 H ASP A 71 -10.661 -9.056 -4.020 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.140 -7.488 -6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.867 -8.229 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.161 -7.222 -3.452 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.711 -5.909 -3.778 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.936 -4.729 -3.422 1.00 0.00 C ATOM 1175 C LEU A 72 -7.594 -4.744 -4.142 1.00 0.00 C ATOM 1176 O LEU A 72 -7.083 -3.701 -4.555 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.716 -4.674 -1.909 1.00 0.00 C ATOM 1178 CG LEU A 72 -9.993 -4.624 -1.068 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.659 -4.690 0.414 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.783 -3.361 -1.379 1.00 0.00 C ATOM 0 H LEU A 72 -9.844 -6.572 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.492 -3.843 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.137 -5.548 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.112 -3.797 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.607 -5.488 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.580 -4.653 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.132 -5.620 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.026 -3.844 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.689 -3.340 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.174 -2.486 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.053 -3.351 -2.435 1.00 0.00 H new ATOM 1192 N LEU A 73 -7.035 -5.941 -4.294 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.768 -6.129 -4.956 1.00 0.00 C ATOM 1194 C LEU A 73 -5.789 -5.509 -6.347 1.00 0.00 C ATOM 1195 O LEU A 73 -4.798 -4.938 -6.803 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.499 -7.623 -5.049 1.00 0.00 C ATOM 1197 CG LEU A 73 -4.203 -8.111 -4.397 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -3.019 -7.252 -4.811 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.355 -8.120 -2.890 1.00 0.00 C ATOM 0 H LEU A 73 -7.458 -6.806 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.978 -5.638 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.335 -8.152 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.482 -7.905 -6.102 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.008 -9.127 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.114 -7.624 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.900 -7.294 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.193 -6.220 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.429 -8.468 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.575 -7.111 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.171 -8.787 -2.611 1.00 0.00 H new ATOM 1211 N SER A 74 -6.932 -5.631 -7.012 1.00 0.00 N ATOM 1212 CA SER A 74 -7.107 -5.090 -8.353 1.00 0.00 C ATOM 1213 C SER A 74 -6.818 -3.593 -8.377 1.00 0.00 C ATOM 1214 O SER A 74 -6.170 -3.091 -9.296 1.00 0.00 O ATOM 1215 CB SER A 74 -8.534 -5.355 -8.837 1.00 0.00 C ATOM 1216 OG SER A 74 -8.726 -4.874 -10.158 1.00 0.00 O ATOM 0 H SER A 74 -7.756 -6.103 -6.640 1.00 0.00 H new ATOM 0 HA SER A 74 -6.401 -5.585 -9.020 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.739 -6.425 -8.803 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.244 -4.873 -8.165 1.00 0.00 H new ATOM 0 HG SER A 74 -9.646 -5.058 -10.443 1.00 0.00 H new ATOM 1222 N GLU A 75 -7.301 -2.886 -7.360 1.00 0.00 N ATOM 1223 CA GLU A 75 -7.091 -1.446 -7.264 1.00 0.00 C ATOM 1224 C GLU A 75 -5.628 -1.129 -6.975 1.00 0.00 C ATOM 1225 O GLU A 75 -5.060 -0.193 -7.539 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.980 -0.852 -6.171 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.465 -1.073 -6.406 1.00 0.00 C ATOM 1228 CD GLU A 75 -10.328 -0.457 -5.321 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -10.251 0.774 -5.129 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -11.083 -1.208 -4.667 1.00 0.00 O ATOM 0 H GLU A 75 -7.840 -3.286 -6.592 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.358 -0.999 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.704 -1.290 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.788 0.219 -6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.743 -0.648 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.665 -2.143 -6.460 1.00 0.00 H new ATOM 1237 N PHE A 76 -5.028 -1.920 -6.092 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.630 -1.737 -5.716 1.00 0.00 C ATOM 1239 C PHE A 76 -2.727 -1.797 -6.944 1.00 0.00 C ATOM 1240 O PHE A 76 -1.808 -0.992 -7.093 1.00 0.00 O ATOM 1241 CB PHE A 76 -3.220 -2.815 -4.707 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.846 -2.623 -4.123 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.411 -1.369 -3.721 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.993 -3.705 -3.968 1.00 0.00 C ATOM 1245 CE1 PHE A 76 -0.153 -1.197 -3.177 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.267 -3.539 -3.424 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.687 -2.284 -3.029 1.00 0.00 C ATOM 0 H PHE A 76 -5.490 -2.698 -5.621 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.518 -0.754 -5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.948 -2.833 -3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.262 -3.789 -5.195 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.064 -0.516 -3.835 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.317 -4.688 -4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.173 -0.215 -2.868 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.922 -4.390 -3.308 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.671 -2.152 -2.605 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.999 -2.758 -7.820 1.00 0.00 N ATOM 1258 CA GLY A 77 -2.209 -2.917 -9.028 1.00 0.00 C ATOM 1259 C GLY A 77 -2.332 -1.736 -9.976 1.00 0.00 C ATOM 1260 O GLY A 77 -1.374 -1.391 -10.667 1.00 0.00 O ATOM 0 H GLY A 77 -3.756 -3.433 -7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.162 -3.050 -8.756 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.522 -3.825 -9.544 1.00 0.00 H new ATOM 1264 N GLN A 78 -3.515 -1.125 -10.017 1.00 0.00 N ATOM 1265 CA GLN A 78 -3.764 0.015 -10.897 1.00 0.00 C ATOM 1266 C GLN A 78 -2.672 1.073 -10.763 1.00 0.00 C ATOM 1267 O GLN A 78 -2.110 1.526 -11.760 1.00 0.00 O ATOM 1268 CB GLN A 78 -5.126 0.641 -10.587 1.00 0.00 C ATOM 1269 CG GLN A 78 -6.295 -0.307 -10.792 1.00 0.00 C ATOM 1270 CD GLN A 78 -7.634 0.351 -10.519 1.00 0.00 C ATOM 1271 OE1 GLN A 78 -7.896 0.815 -9.409 1.00 0.00 O ATOM 1272 NE2 GLN A 78 -8.490 0.394 -11.534 1.00 0.00 N ATOM 0 H GLN A 78 -4.317 -1.401 -9.450 1.00 0.00 H new ATOM 0 HA GLN A 78 -3.759 -0.355 -11.922 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.129 0.989 -9.554 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.265 1.518 -11.220 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.280 -0.681 -11.816 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.178 -1.170 -10.136 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.231 -0.003 -12.437 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.407 0.824 -11.410 1.00 0.00 H new ATOM 1281 N PHE A 79 -2.370 1.456 -9.526 1.00 0.00 N ATOM 1282 CA PHE A 79 -1.339 2.455 -9.270 1.00 0.00 C ATOM 1283 C PHE A 79 0.035 1.912 -9.639 1.00 0.00 C ATOM 1284 O PHE A 79 0.859 2.616 -10.220 1.00 0.00 O ATOM 1285 CB PHE A 79 -1.352 2.890 -7.800 1.00 0.00 C ATOM 1286 CG PHE A 79 -2.576 3.667 -7.394 1.00 0.00 C ATOM 1287 CD1 PHE A 79 -3.843 3.112 -7.506 1.00 0.00 C ATOM 1288 CD2 PHE A 79 -2.457 4.955 -6.898 1.00 0.00 C ATOM 1289 CE1 PHE A 79 -4.965 3.828 -7.132 1.00 0.00 C ATOM 1290 CE2 PHE A 79 -3.576 5.675 -6.522 1.00 0.00 C ATOM 1291 CZ PHE A 79 -4.830 5.111 -6.638 1.00 0.00 C ATOM 0 H PHE A 79 -2.823 1.091 -8.688 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.553 3.325 -9.891 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.273 2.004 -7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.469 3.498 -7.606 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.954 2.109 -7.890 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.478 5.402 -6.804 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.945 3.385 -7.226 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.469 6.679 -6.138 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.705 5.672 -6.343 1.00 0.00 H new ATOM 1301 N LEU A 80 0.270 0.650 -9.296 1.00 0.00 N ATOM 1302 CA LEU A 80 1.539 -0.004 -9.585 1.00 0.00 C ATOM 1303 C LEU A 80 1.792 -0.061 -11.091 1.00 0.00 C ATOM 1304 O LEU A 80 0.864 -0.261 -11.873 1.00 0.00 O ATOM 1305 CB LEU A 80 1.547 -1.417 -8.996 1.00 0.00 C ATOM 1306 CG LEU A 80 1.231 -1.499 -7.500 1.00 0.00 C ATOM 1307 CD1 LEU A 80 1.248 -2.945 -7.029 1.00 0.00 C ATOM 1308 CD2 LEU A 80 2.217 -0.666 -6.696 1.00 0.00 C ATOM 0 H LEU A 80 -0.407 0.058 -8.815 1.00 0.00 H new ATOM 0 HA LEU A 80 2.338 0.579 -9.126 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.822 -2.024 -9.538 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.527 -1.861 -9.169 1.00 0.00 H new ATOM 0 HG LEU A 80 0.231 -1.096 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.021 -2.983 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.500 -3.516 -7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.234 -3.374 -7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.975 -0.738 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.228 -1.037 -6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.156 0.375 -7.012 1.00 0.00 H new ATOM 1320 N PRO A 81 3.058 0.119 -11.517 1.00 0.00 N ATOM 1321 CA PRO A 81 3.432 0.088 -12.937 1.00 0.00 C ATOM 1322 C PRO A 81 3.111 -1.252 -13.592 1.00 0.00 C ATOM 1323 O PRO A 81 3.980 -2.115 -13.727 1.00 0.00 O ATOM 1324 CB PRO A 81 4.946 0.332 -12.925 1.00 0.00 C ATOM 1325 CG PRO A 81 5.382 0.014 -11.536 1.00 0.00 C ATOM 1326 CD PRO A 81 4.223 0.364 -10.649 1.00 0.00 C ATOM 0 HA PRO A 81 2.878 0.828 -13.515 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.453 -0.303 -13.652 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.181 1.364 -13.185 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.642 -1.040 -11.440 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.268 0.587 -11.264 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.197 -0.257 -9.754 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.268 1.401 -10.316 1.00 0.00 H new ATOM 1334 N GLU A 82 1.854 -1.421 -13.991 1.00 0.00 N ATOM 1335 CA GLU A 82 1.405 -2.655 -14.626 1.00 0.00 C ATOM 1336 C GLU A 82 2.188 -2.935 -15.905 1.00 0.00 C ATOM 1337 O GLU A 82 2.469 -2.025 -16.685 1.00 0.00 O ATOM 1338 CB GLU A 82 -0.089 -2.570 -14.943 1.00 0.00 C ATOM 1339 CG GLU A 82 -0.674 -3.861 -15.496 1.00 0.00 C ATOM 1340 CD GLU A 82 -0.624 -5.003 -14.497 1.00 0.00 C ATOM 1341 OE1 GLU A 82 0.493 -5.415 -14.119 1.00 0.00 O ATOM 1342 OE2 GLU A 82 -1.703 -5.483 -14.091 1.00 0.00 O ATOM 0 H GLU A 82 1.125 -0.715 -13.885 1.00 0.00 H new ATOM 0 HA GLU A 82 1.583 -3.474 -13.930 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.628 -2.297 -14.036 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.253 -1.770 -15.664 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.709 -3.688 -15.792 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.128 -4.146 -16.395 1.00 0.00 H new ATOM 1349 N ALA A 83 2.534 -4.203 -16.112 1.00 0.00 N ATOM 1350 CA ALA A 83 3.281 -4.611 -17.297 1.00 0.00 C ATOM 1351 C ALA A 83 2.538 -4.221 -18.571 1.00 0.00 C ATOM 1352 O ALA A 83 3.147 -3.805 -19.556 1.00 0.00 O ATOM 1353 CB ALA A 83 3.534 -6.111 -17.270 1.00 0.00 C ATOM 0 H ALA A 83 2.308 -4.966 -15.473 1.00 0.00 H new ATOM 0 HA ALA A 83 4.240 -4.092 -17.291 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.092 -6.402 -18.160 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.110 -6.367 -16.381 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.581 -6.640 -17.250 1.00 0.00 H new ATOM 1359 N LYS A 84 1.216 -4.355 -18.538 1.00 0.00 N ATOM 1360 CA LYS A 84 0.380 -4.015 -19.683 1.00 0.00 C ATOM 1361 C LYS A 84 -1.079 -3.879 -19.258 1.00 0.00 C ATOM 1362 O LYS A 84 -1.624 -4.750 -18.582 1.00 0.00 O ATOM 1363 CB LYS A 84 0.512 -5.068 -20.792 1.00 0.00 C ATOM 1364 CG LYS A 84 0.016 -6.458 -20.406 1.00 0.00 C ATOM 1365 CD LYS A 84 0.918 -7.119 -19.376 1.00 0.00 C ATOM 1366 CE LYS A 84 0.416 -8.505 -19.004 1.00 0.00 C ATOM 1367 NZ LYS A 84 -0.930 -8.459 -18.367 1.00 0.00 N ATOM 0 H LYS A 84 0.700 -4.698 -17.728 1.00 0.00 H new ATOM 0 HA LYS A 84 0.722 -3.058 -20.077 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.043 -4.728 -21.667 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.559 -5.138 -21.086 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.996 -6.384 -20.008 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.037 -7.084 -21.297 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.931 -7.192 -19.771 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.968 -6.497 -18.482 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.373 -9.127 -19.898 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.124 -8.976 -18.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.140 -9.380 -17.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.942 -7.721 -17.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.648 -8.244 -19.088 1.00 0.00 H new ATOM 1381 N ARG A 85 -1.701 -2.772 -19.652 1.00 0.00 N ATOM 1382 CA ARG A 85 -3.092 -2.512 -19.306 1.00 0.00 C ATOM 1383 C ARG A 85 -4.023 -3.486 -20.021 1.00 0.00 C ATOM 1384 O ARG A 85 -4.555 -4.396 -19.351 1.00 0.00 O ATOM 1385 CB ARG A 85 -3.466 -1.070 -19.658 1.00 0.00 C ATOM 1386 CG ARG A 85 -4.863 -0.676 -19.207 1.00 0.00 C ATOM 1387 CD ARG A 85 -4.988 -0.634 -17.688 1.00 0.00 C ATOM 1388 NE ARG A 85 -4.234 0.475 -17.095 1.00 0.00 N ATOM 1389 CZ ARG A 85 -2.934 0.431 -16.807 1.00 0.00 C ATOM 1390 NH1 ARG A 85 -2.249 -0.694 -16.962 1.00 0.00 N ATOM 1391 NH2 ARG A 85 -2.323 1.509 -16.335 1.00 0.00 N ATOM 1392 OXT ARG A 85 -4.211 -3.332 -21.246 1.00 0.00 O ATOM 0 H ARG A 85 -1.262 -2.041 -20.212 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.207 -2.655 -18.232 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.742 -0.394 -19.202 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.391 -0.937 -20.737 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.113 0.302 -19.617 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.586 -1.385 -19.610 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.039 -0.542 -17.415 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.632 -1.576 -17.271 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.738 1.337 -16.889 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.717 -1.533 -17.304 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.254 -0.720 -16.739 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.848 2.372 -16.192 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.328 1.476 -16.114 1.00 0.00 H new TER 1406 ARG A 85 ATOM 1407 N ASN B 1 4.252 6.206 -6.696 1.00 0.00 N ATOM 1408 CA ASN B 1 2.777 6.074 -6.566 1.00 0.00 C ATOM 1409 C ASN B 1 2.379 5.656 -5.154 1.00 0.00 C ATOM 1410 O ASN B 1 1.372 6.120 -4.619 1.00 0.00 O ATOM 1411 CB ASN B 1 2.285 5.048 -7.591 1.00 0.00 C ATOM 1412 CG ASN B 1 2.980 3.706 -7.457 1.00 0.00 C ATOM 1413 OD1 ASN B 1 2.838 3.017 -6.448 1.00 0.00 O ATOM 1414 ND2 ASN B 1 3.742 3.332 -8.479 1.00 0.00 N ATOM 0 H1 ASN B 1 4.490 6.508 -7.662 1.00 0.00 H new ATOM 0 H2 ASN B 1 4.598 6.914 -6.017 1.00 0.00 H new ATOM 0 H3 ASN B 1 4.701 5.289 -6.499 1.00 0.00 H new ATOM 0 HA ASN B 1 2.313 7.042 -6.757 1.00 0.00 H new ATOM 0 HB2 ASN B 1 1.210 4.909 -7.473 1.00 0.00 H new ATOM 0 HB3 ASN B 1 2.448 5.438 -8.596 1.00 0.00 H new ATOM 0 HD21 ASN B 1 4.238 2.441 -8.446 1.00 0.00 H new ATOM 0 HD22 ASN B 1 3.831 3.935 -9.296 1.00 0.00 H new ATOM 1423 N ILE B 2 3.178 4.780 -4.554 1.00 0.00 N ATOM 1424 CA ILE B 2 2.916 4.301 -3.202 1.00 0.00 C ATOM 1425 C ILE B 2 2.939 5.448 -2.198 1.00 0.00 C ATOM 1426 O ILE B 2 2.163 5.460 -1.246 1.00 0.00 O ATOM 1427 CB ILE B 2 3.941 3.228 -2.772 1.00 0.00 C ATOM 1428 CG1 ILE B 2 3.808 1.980 -3.652 1.00 0.00 C ATOM 1429 CG2 ILE B 2 3.766 2.873 -1.302 1.00 0.00 C ATOM 1430 CD1 ILE B 2 2.443 1.327 -3.586 1.00 0.00 C ATOM 0 H ILE B 2 4.015 4.386 -4.984 1.00 0.00 H new ATOM 0 HA ILE B 2 1.922 3.854 -3.213 1.00 0.00 H new ATOM 0 HB ILE B 2 4.943 3.637 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.021 2.252 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE B 2 4.563 1.253 -3.352 1.00 0.00 H new ATOM 0 HG21 ILE B 2 4.498 2.116 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE B 2 3.914 3.764 -0.692 1.00 0.00 H new ATOM 0 HG23 ILE B 2 2.761 2.484 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE B 2 2.427 0.451 -4.235 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.235 1.023 -2.560 1.00 0.00 H new ATOM 0 HD13 ILE B 2 1.684 2.037 -3.915 1.00 0.00 H new ATOM 1442 N GLN B 3 3.832 6.409 -2.418 1.00 0.00 N ATOM 1443 CA GLN B 3 3.952 7.559 -1.529 1.00 0.00 C ATOM 1444 C GLN B 3 2.584 8.185 -1.286 1.00 0.00 C ATOM 1445 O GLN B 3 2.271 8.601 -0.171 1.00 0.00 O ATOM 1446 CB GLN B 3 4.920 8.589 -2.127 1.00 0.00 C ATOM 1447 CG GLN B 3 5.206 9.776 -1.215 1.00 0.00 C ATOM 1448 CD GLN B 3 4.123 10.843 -1.245 1.00 0.00 C ATOM 1449 OE1 GLN B 3 3.198 10.738 -2.193 1.00 0.00 O flip ATOM 1450 NE2 GLN B 3 4.132 11.769 -0.432 1.00 0.00 N flip ATOM 0 H GLN B 3 4.482 6.414 -3.204 1.00 0.00 H new ATOM 0 HA GLN B 3 4.350 7.224 -0.571 1.00 0.00 H new ATOM 0 HB2 GLN B 3 5.861 8.092 -2.365 1.00 0.00 H new ATOM 0 HB3 GLN B 3 4.507 8.957 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN B 3 5.323 9.418 -0.192 1.00 0.00 H new ATOM 0 HG3 GLN B 3 6.155 10.226 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN B 3 4.860 11.814 0.281 1.00 0.00 H new ATOM 0 HE22 GLN B 3 3.412 12.490 -0.472 1.00 0.00 H new ATOM 1459 N MET B 4 1.773 8.240 -2.337 1.00 0.00 N ATOM 1460 CA MET B 4 0.434 8.808 -2.243 1.00 0.00 C ATOM 1461 C MET B 4 -0.494 7.896 -1.444 1.00 0.00 C ATOM 1462 O MET B 4 -1.284 8.366 -0.624 1.00 0.00 O ATOM 1463 CB MET B 4 -0.146 9.038 -3.640 1.00 0.00 C ATOM 1464 CG MET B 4 0.707 9.945 -4.512 1.00 0.00 C ATOM 1465 SD MET B 4 -0.026 10.244 -6.132 1.00 0.00 S ATOM 1466 CE MET B 4 -0.176 8.572 -6.753 1.00 0.00 C ATOM 0 H MET B 4 2.021 7.897 -3.265 1.00 0.00 H new ATOM 0 HA MET B 4 0.512 9.763 -1.724 1.00 0.00 H new ATOM 0 HB2 MET B 4 -0.264 8.076 -4.138 1.00 0.00 H new ATOM 0 HB3 MET B 4 -1.141 9.472 -3.544 1.00 0.00 H new ATOM 0 HG2 MET B 4 0.854 10.898 -4.003 1.00 0.00 H new ATOM 0 HG3 MET B 4 1.692 9.497 -4.641 1.00 0.00 H new ATOM 0 HE1 MET B 4 0.168 8.535 -7.787 1.00 0.00 H new ATOM 0 HE2 MET B 4 0.431 7.902 -6.144 1.00 0.00 H new ATOM 0 HE3 MET B 4 -1.219 8.259 -6.707 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.405 6.591 -1.698 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.249 5.619 -1.012 1.00 0.00 C ATOM 1478 C LEU B 5 -0.938 5.567 0.481 1.00 0.00 C ATOM 1479 O LEU B 5 -1.834 5.707 1.315 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.078 4.229 -1.633 1.00 0.00 C ATOM 1481 CG LEU B 5 -2.051 3.170 -1.114 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -3.481 3.670 -1.226 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -1.889 1.871 -1.885 1.00 0.00 C ATOM 0 H LEU B 5 0.243 6.185 -2.373 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.285 5.938 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.196 4.312 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -0.059 3.887 -1.449 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.825 2.980 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -4.164 2.906 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.596 4.579 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.711 3.884 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.590 1.130 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -2.090 2.047 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.870 1.502 -1.767 1.00 0.00 H new ATOM 1495 N LEU B 6 0.333 5.372 0.814 1.00 0.00 N ATOM 1496 CA LEU B 6 0.757 5.314 2.206 1.00 0.00 C ATOM 1497 C LEU B 6 0.374 6.604 2.919 1.00 0.00 C ATOM 1498 O LEU B 6 -0.066 6.587 4.069 1.00 0.00 O ATOM 1499 CB LEU B 6 2.269 5.076 2.291 1.00 0.00 C ATOM 1500 CG LEU B 6 2.846 4.991 3.706 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.104 3.952 4.533 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.330 4.659 3.649 1.00 0.00 C ATOM 0 H LEU B 6 1.087 5.251 0.138 1.00 0.00 H new ATOM 0 HA LEU B 6 0.253 4.482 2.697 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.503 4.150 1.766 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.776 5.881 1.759 1.00 0.00 H new ATOM 0 HG LEU B 6 2.719 5.961 4.186 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.533 3.910 5.534 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.051 4.225 4.600 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.196 2.975 4.058 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.729 4.601 4.662 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.469 3.701 3.149 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.856 5.437 3.096 1.00 0.00 H new ATOM 1514 N GLU B 7 0.525 7.721 2.215 1.00 0.00 N ATOM 1515 CA GLU B 7 0.176 9.027 2.756 1.00 0.00 C ATOM 1516 C GLU B 7 -1.330 9.117 2.982 1.00 0.00 C ATOM 1517 O GLU B 7 -1.793 9.717 3.952 1.00 0.00 O ATOM 1518 CB GLU B 7 0.636 10.132 1.802 1.00 0.00 C ATOM 1519 CG GLU B 7 0.311 11.536 2.287 1.00 0.00 C ATOM 1520 CD GLU B 7 0.764 12.607 1.314 1.00 0.00 C ATOM 1521 OE1 GLU B 7 0.297 12.592 0.156 1.00 0.00 O ATOM 1522 OE2 GLU B 7 1.585 13.461 1.711 1.00 0.00 O ATOM 0 H GLU B 7 0.889 7.746 1.263 1.00 0.00 H new ATOM 0 HA GLU B 7 0.681 9.158 3.713 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.713 10.048 1.656 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.170 9.977 0.829 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.764 11.623 2.443 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.788 11.702 3.253 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.086 8.504 2.073 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.543 8.492 2.151 1.00 0.00 C ATOM 1531 C ALA B 8 -4.019 7.891 3.469 1.00 0.00 C ATOM 1532 O ALA B 8 -4.946 8.403 4.096 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.119 7.712 0.978 1.00 0.00 C ATOM 0 H ALA B 8 -1.708 8.005 1.268 1.00 0.00 H new ATOM 0 HA ALA B 8 -3.896 9.522 2.105 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.207 7.707 1.043 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -3.813 8.182 0.043 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.750 6.687 1.006 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.378 6.802 3.882 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.734 6.130 5.124 1.00 0.00 C ATOM 1541 C ALA B 9 -3.669 7.092 6.303 1.00 0.00 C ATOM 1542 O ALA B 9 -4.579 7.136 7.130 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.818 4.941 5.361 1.00 0.00 C ATOM 0 H ALA B 9 -2.609 6.367 3.373 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.760 5.772 5.035 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.095 4.448 6.293 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.915 4.237 4.535 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.786 5.284 5.426 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.592 7.867 6.368 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.409 8.836 7.441 1.00 0.00 C ATOM 1551 C ASP B 10 -3.554 9.844 7.445 1.00 0.00 C ATOM 1552 O ASP B 10 -4.030 10.260 8.501 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.071 9.562 7.276 1.00 0.00 C ATOM 1554 CG ASP B 10 -0.769 10.510 8.423 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.573 10.574 9.375 1.00 0.00 O ATOM 1556 OD2 ASP B 10 0.281 11.187 8.369 1.00 0.00 O ATOM 0 H ASP B 10 -1.831 7.842 5.689 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.406 8.304 8.393 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.271 8.826 7.199 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.080 10.122 6.341 1.00 0.00 H new ATOM 1561 N TYR B 11 -3.991 10.227 6.249 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.079 11.185 6.097 1.00 0.00 C ATOM 1563 C TYR B 11 -6.354 10.687 6.770 1.00 0.00 C ATOM 1564 O TYR B 11 -6.934 11.377 7.608 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.346 11.439 4.613 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.543 12.323 4.354 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.589 13.626 4.832 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.632 11.848 3.635 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -7.686 14.433 4.598 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -8.731 12.648 3.396 1.00 0.00 C ATOM 1571 CZ TYR B 11 -8.755 13.940 3.879 1.00 0.00 C ATOM 1572 OH TYR B 11 -9.850 14.740 3.644 1.00 0.00 O ATOM 0 H TYR B 11 -3.606 9.886 5.368 1.00 0.00 H new ATOM 0 HA TYR B 11 -4.779 12.115 6.580 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.463 11.898 4.167 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.496 10.483 4.111 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -5.754 14.015 5.396 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.619 10.836 3.257 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -7.706 15.444 4.976 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.569 12.264 2.833 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.513 14.242 3.123 1.00 0.00 H new ATOM 1582 N LEU B 12 -6.790 9.488 6.393 1.00 0.00 N ATOM 1583 CA LEU B 12 -8.000 8.903 6.957 1.00 0.00 C ATOM 1584 C LEU B 12 -7.860 8.693 8.462 1.00 0.00 C ATOM 1585 O LEU B 12 -8.778 8.990 9.226 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.329 7.577 6.265 1.00 0.00 C ATOM 1587 CG LEU B 12 -8.731 7.696 4.789 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -8.992 6.319 4.194 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -9.961 8.579 4.641 1.00 0.00 C ATOM 0 H LEU B 12 -6.323 8.904 5.700 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.820 9.601 6.786 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.461 6.922 6.337 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -9.140 7.093 6.809 1.00 0.00 H new ATOM 0 HG LEU B 12 -7.907 8.157 4.245 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.276 6.423 3.147 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -8.088 5.714 4.267 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -9.799 5.833 4.742 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.232 8.652 3.588 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -10.790 8.145 5.199 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -9.744 9.574 5.030 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.704 8.187 8.884 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.447 7.945 10.300 1.00 0.00 C ATOM 1603 C GLU B 13 -6.472 9.251 11.090 1.00 0.00 C ATOM 1604 O GLU B 13 -6.576 9.188 12.333 1.00 0.00 O ATOM 1605 CB GLU B 13 -5.095 7.251 10.490 1.00 0.00 C ATOM 1606 CG GLU B 13 -5.022 5.874 9.855 1.00 0.00 C ATOM 1607 CD GLU B 13 -3.683 5.202 10.085 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -2.654 5.762 9.648 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -3.660 4.116 10.702 1.00 0.00 O ATOM 1610 OXT GLU B 13 -6.387 10.325 10.458 1.00 0.00 O ATOM 0 H GLU B 13 -5.932 7.937 8.266 1.00 0.00 H new ATOM 0 HA GLU B 13 -7.237 7.295 10.676 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -4.311 7.879 10.066 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.889 7.161 11.557 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.815 5.247 10.262 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.203 5.961 8.784 1.00 0.00 H new TER 1617 GLU B 13