USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 587 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 46 HIS :FLIP no HD1:sc= -1.06 F(o=-2.8!,f=-1.1) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -117:sc=-0.00742 (180deg=-0.696) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= 0.573 (180deg=0.0518) USER MOD Single : A 29 ASN : amide:sc= 0.203 K(o=0.2,f=-1.3) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 87:sc= 0.149 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.536 F(o=-1.8,f=-0.54) USER MOD Single : A 39 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.035) USER MOD Single : A 42 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.00084) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.62) USER MOD Single : A 56 LYS NZ :NH3+ 149:sc= -0.273 (180deg=-1.26!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.53 F(o=-1.2,f=-0.53) USER MOD Single : A 60 SER OG : rot 91:sc= 0.23 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 49:sc= -1.52 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 137:sc= 1.19 (180deg=-0.352) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 126:sc= 0.338 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -3.997 13.668 3.597 1.00 65.40 N ATOM 2 CA ASN A 10 -3.144 12.656 2.985 1.00 65.00 C ATOM 3 C ASN A 10 -3.370 11.292 3.630 1.00 11.10 C ATOM 4 O ASN A 10 -3.245 10.257 2.976 1.00 13.40 O ATOM 5 CB ASN A 10 -1.673 13.055 3.110 1.00 14.40 C ATOM 6 CG ASN A 10 -1.345 14.309 2.325 1.00 30.30 C ATOM 7 OD1 ASN A 10 -1.822 14.497 1.205 1.00 61.40 O ATOM 8 ND2 ASN A 10 -0.525 15.176 2.909 1.00 74.00 N ATOM 0 HA ASN A 10 -3.405 12.586 1.929 1.00 65.00 H new ATOM 0 HB2 ASN A 10 -1.431 13.214 4.161 1.00 14.40 H new ATOM 0 HB3 ASN A 10 -1.046 12.235 2.759 1.00 14.40 H new ATOM 0 HD21 ASN A 10 -0.267 16.038 2.428 1.00 74.00 H new ATOM 0 HD22 ASN A 10 -0.153 14.980 3.838 1.00 74.00 H new ATOM 15 N LEU A 11 -3.704 11.300 4.916 1.00 1.53 N ATOM 16 CA LEU A 11 -3.948 10.063 5.650 1.00 3.11 C ATOM 17 C LEU A 11 -5.254 9.415 5.205 1.00 71.30 C ATOM 18 O LEU A 11 -5.344 8.193 5.086 1.00 72.20 O ATOM 19 CB LEU A 11 -3.988 10.338 7.154 1.00 43.30 C ATOM 20 CG LEU A 11 -4.031 9.091 8.039 1.00 3.42 C ATOM 21 CD1 LEU A 11 -2.624 8.603 8.344 1.00 52.10 C ATOM 22 CD2 LEU A 11 -4.788 9.379 9.327 1.00 34.00 C ATOM 0 H LEU A 11 -3.812 12.149 5.472 1.00 1.53 H new ATOM 0 HA LEU A 11 -3.131 9.375 5.435 1.00 3.11 H new ATOM 0 HB2 LEU A 11 -3.111 10.926 7.424 1.00 43.30 H new ATOM 0 HB3 LEU A 11 -4.863 10.951 7.373 1.00 43.30 H new ATOM 0 HG LEU A 11 -4.557 8.303 7.499 1.00 3.42 H new ATOM 0 HD11 LEU A 11 -2.675 7.715 8.975 1.00 52.10 H new ATOM 0 HD12 LEU A 11 -2.114 8.357 7.412 1.00 52.10 H new ATOM 0 HD13 LEU A 11 -2.072 9.386 8.864 1.00 52.10 H new ATOM 0 HD21 LEU A 11 -4.809 8.481 9.945 1.00 34.00 H new ATOM 0 HD22 LEU A 11 -4.290 10.182 9.870 1.00 34.00 H new ATOM 0 HD23 LEU A 11 -5.808 9.680 9.090 1.00 34.00 H new ATOM 34 N GLN A 12 -6.266 10.242 4.959 1.00 24.40 N ATOM 35 CA GLN A 12 -7.568 9.749 4.527 1.00 0.34 C ATOM 36 C GLN A 12 -7.452 8.989 3.209 1.00 52.30 C ATOM 37 O GLN A 12 -8.178 8.023 2.972 1.00 32.20 O ATOM 38 CB GLN A 12 -8.552 10.910 4.374 1.00 50.30 C ATOM 39 CG GLN A 12 -10.000 10.513 4.600 1.00 73.50 C ATOM 40 CD GLN A 12 -10.950 11.197 3.634 1.00 54.40 C ATOM 41 OE1 GLN A 12 -10.850 11.017 2.420 1.00 15.50 O ATOM 42 NE2 GLN A 12 -11.870 11.987 4.170 1.00 72.30 N ATOM 0 H GLN A 12 -6.209 11.256 5.052 1.00 24.40 H new ATOM 0 HA GLN A 12 -7.940 9.065 5.289 1.00 0.34 H new ATOM 0 HB2 GLN A 12 -8.285 11.697 5.080 1.00 50.30 H new ATOM 0 HB3 GLN A 12 -8.451 11.331 3.374 1.00 50.30 H new ATOM 0 HG2 GLN A 12 -10.097 9.432 4.496 1.00 73.50 H new ATOM 0 HG3 GLN A 12 -10.286 10.761 5.622 1.00 73.50 H new ATOM 0 HE21 GLN A 12 -11.914 12.105 5.182 1.00 72.30 H new ATOM 0 HE22 GLN A 12 -12.534 12.477 3.570 1.00 72.30 H new ATOM 51 N LYS A 13 -6.535 9.432 2.355 1.00 14.10 N ATOM 52 CA LYS A 13 -6.324 8.794 1.061 1.00 61.40 C ATOM 53 C LYS A 13 -5.497 7.521 1.210 1.00 33.30 C ATOM 54 O LYS A 13 -5.721 6.537 0.506 1.00 31.40 O ATOM 55 CB LYS A 13 -5.628 9.759 0.100 1.00 52.30 C ATOM 56 CG LYS A 13 -6.104 9.635 -1.338 1.00 1.44 C ATOM 57 CD LYS A 13 -4.973 9.887 -2.322 1.00 75.30 C ATOM 58 CE LYS A 13 -5.455 10.666 -3.536 1.00 21.20 C ATOM 59 NZ LYS A 13 -4.785 10.215 -4.787 1.00 34.10 N ATOM 0 H LYS A 13 -5.926 10.230 2.536 1.00 14.10 H new ATOM 0 HA LYS A 13 -7.299 8.527 0.653 1.00 61.40 H new ATOM 0 HB2 LYS A 13 -5.793 10.781 0.442 1.00 52.30 H new ATOM 0 HB3 LYS A 13 -4.553 9.581 0.135 1.00 52.30 H new ATOM 0 HG2 LYS A 13 -6.515 8.639 -1.502 1.00 1.44 H new ATOM 0 HG3 LYS A 13 -6.910 10.346 -1.518 1.00 1.44 H new ATOM 0 HD2 LYS A 13 -4.175 10.440 -1.827 1.00 75.30 H new ATOM 0 HD3 LYS A 13 -4.550 8.935 -2.643 1.00 75.30 H new ATOM 0 HE2 LYS A 13 -6.534 10.547 -3.639 1.00 21.20 H new ATOM 0 HE3 LYS A 13 -5.264 11.728 -3.385 1.00 21.20 H new ATOM 0 HZ1 LYS A 13 -5.141 10.770 -5.591 1.00 34.10 H new ATOM 0 HZ2 LYS A 13 -3.758 10.352 -4.699 1.00 34.10 H new ATOM 0 HZ3 LYS A 13 -4.988 9.207 -4.946 1.00 34.10 H new ATOM 73 N ALA A 14 -4.540 7.549 2.132 1.00 65.10 N ATOM 74 CA ALA A 14 -3.679 6.398 2.374 1.00 33.40 C ATOM 75 C ALA A 14 -4.495 5.182 2.798 1.00 64.50 C ATOM 76 O ALA A 14 -4.189 4.052 2.416 1.00 61.50 O ATOM 77 CB ALA A 14 -2.637 6.732 3.431 1.00 32.20 C ATOM 0 H ALA A 14 -4.342 8.356 2.723 1.00 65.10 H new ATOM 0 HA ALA A 14 -3.170 6.154 1.442 1.00 33.40 H new ATOM 0 HB1 ALA A 14 -2.001 5.864 3.602 1.00 32.20 H new ATOM 0 HB2 ALA A 14 -2.026 7.567 3.089 1.00 32.20 H new ATOM 0 HB3 ALA A 14 -3.136 7.005 4.361 1.00 32.20 H new ATOM 83 N ILE A 15 -5.535 5.420 3.590 1.00 44.30 N ATOM 84 CA ILE A 15 -6.396 4.344 4.066 1.00 33.40 C ATOM 85 C ILE A 15 -7.360 3.889 2.976 1.00 74.40 C ATOM 86 O ILE A 15 -7.635 2.698 2.835 1.00 54.30 O ATOM 87 CB ILE A 15 -7.206 4.777 5.303 1.00 24.10 C ATOM 88 CG1 ILE A 15 -6.287 5.424 6.341 1.00 43.30 C ATOM 89 CG2 ILE A 15 -7.936 3.585 5.903 1.00 12.20 C ATOM 90 CD1 ILE A 15 -7.029 6.218 7.394 1.00 43.40 C ATOM 0 H ILE A 15 -5.802 6.349 3.916 1.00 44.30 H new ATOM 0 HA ILE A 15 -5.743 3.515 4.340 1.00 33.40 H new ATOM 0 HB ILE A 15 -7.948 5.513 4.993 1.00 24.10 H new ATOM 0 HG12 ILE A 15 -5.701 4.646 6.830 1.00 43.30 H new ATOM 0 HG13 ILE A 15 -5.583 6.081 5.831 1.00 43.30 H new ATOM 0 HG21 ILE A 15 -8.503 3.908 6.776 1.00 12.20 H new ATOM 0 HG22 ILE A 15 -8.617 3.165 5.163 1.00 12.20 H new ATOM 0 HG23 ILE A 15 -7.212 2.827 6.201 1.00 12.20 H new ATOM 0 HD11 ILE A 15 -6.315 6.648 8.096 1.00 43.40 H new ATOM 0 HD12 ILE A 15 -7.594 7.018 6.916 1.00 43.40 H new ATOM 0 HD13 ILE A 15 -7.714 5.561 7.930 1.00 43.40 H new ATOM 102 N ASP A 16 -7.871 4.846 2.208 1.00 71.10 N ATOM 103 CA ASP A 16 -8.805 4.543 1.130 1.00 1.32 C ATOM 104 C ASP A 16 -8.128 3.720 0.039 1.00 33.30 C ATOM 105 O ASP A 16 -8.687 2.739 -0.450 1.00 61.10 O ATOM 106 CB ASP A 16 -9.367 5.836 0.536 1.00 53.30 C ATOM 107 CG ASP A 16 -10.790 5.678 0.058 1.00 44.20 C ATOM 108 OD1 ASP A 16 -11.030 4.865 -0.861 1.00 0.31 O ATOM 109 OD2 ASP A 16 -11.680 6.368 0.603 1.00 5.01 O ATOM 0 H ASP A 16 -7.654 5.837 2.312 1.00 71.10 H new ATOM 0 HA ASP A 16 -9.624 3.957 1.546 1.00 1.32 H new ATOM 0 HB2 ASP A 16 -9.324 6.626 1.286 1.00 53.30 H new ATOM 0 HB3 ASP A 16 -8.740 6.153 -0.297 1.00 53.30 H new ATOM 114 N LEU A 17 -6.920 4.128 -0.339 1.00 13.00 N ATOM 115 CA LEU A 17 -6.166 3.428 -1.372 1.00 72.30 C ATOM 116 C LEU A 17 -5.851 1.999 -0.943 1.00 61.00 C ATOM 117 O LEU A 17 -5.967 1.062 -1.733 1.00 61.10 O ATOM 118 CB LEU A 17 -4.869 4.178 -1.682 1.00 75.30 C ATOM 119 CG LEU A 17 -5.051 5.633 -2.119 1.00 13.30 C ATOM 120 CD1 LEU A 17 -3.879 6.481 -1.650 1.00 54.00 C ATOM 121 CD2 LEU A 17 -5.203 5.719 -3.631 1.00 3.43 C ATOM 0 H LEU A 17 -6.443 4.939 0.055 1.00 13.00 H new ATOM 0 HA LEU A 17 -6.780 3.390 -2.272 1.00 72.30 H new ATOM 0 HB2 LEU A 17 -4.235 4.157 -0.796 1.00 75.30 H new ATOM 0 HB3 LEU A 17 -4.336 3.642 -2.468 1.00 75.30 H new ATOM 0 HG LEU A 17 -5.960 6.021 -1.659 1.00 13.30 H new ATOM 0 HD11 LEU A 17 -4.025 7.513 -1.970 1.00 54.00 H new ATOM 0 HD12 LEU A 17 -3.815 6.444 -0.563 1.00 54.00 H new ATOM 0 HD13 LEU A 17 -2.955 6.095 -2.081 1.00 54.00 H new ATOM 0 HD21 LEU A 17 -5.332 6.761 -3.925 1.00 3.43 H new ATOM 0 HD22 LEU A 17 -4.311 5.314 -4.110 1.00 3.43 H new ATOM 0 HD23 LEU A 17 -6.075 5.144 -3.942 1.00 3.43 H new ATOM 133 N ALA A 18 -5.450 1.839 0.315 1.00 43.30 N ATOM 134 CA ALA A 18 -5.118 0.525 0.849 1.00 4.30 C ATOM 135 C ALA A 18 -6.315 -0.417 0.774 1.00 11.10 C ATOM 136 O ALA A 18 -6.190 -1.562 0.338 1.00 4.32 O ATOM 137 CB ALA A 18 -4.631 0.648 2.285 1.00 11.10 C ATOM 0 H ALA A 18 -5.348 2.604 0.982 1.00 43.30 H new ATOM 0 HA ALA A 18 -4.319 0.104 0.239 1.00 4.30 H new ATOM 0 HB1 ALA A 18 -4.386 -0.341 2.672 1.00 11.10 H new ATOM 0 HB2 ALA A 18 -3.743 1.279 2.315 1.00 11.10 H new ATOM 0 HB3 ALA A 18 -5.414 1.094 2.898 1.00 11.10 H new ATOM 143 N SER A 19 -7.474 0.072 1.200 1.00 3.00 N ATOM 144 CA SER A 19 -8.695 -0.726 1.181 1.00 54.10 C ATOM 145 C SER A 19 -9.051 -1.140 -0.243 1.00 14.50 C ATOM 146 O SER A 19 -9.339 -2.307 -0.507 1.00 64.20 O ATOM 147 CB SER A 19 -9.852 0.059 1.801 1.00 34.40 C ATOM 148 OG SER A 19 -10.700 -0.793 2.545 1.00 14.30 O ATOM 0 H SER A 19 -7.594 1.018 1.563 1.00 3.00 H new ATOM 0 HA SER A 19 -8.520 -1.627 1.769 1.00 54.10 H new ATOM 0 HB2 SER A 19 -9.459 0.843 2.449 1.00 34.40 H new ATOM 0 HB3 SER A 19 -10.424 0.552 1.015 1.00 34.40 H new ATOM 0 HG SER A 19 -11.431 -0.269 2.933 1.00 14.30 H new ATOM 154 N LYS A 20 -9.029 -0.175 -1.157 1.00 61.50 N ATOM 155 CA LYS A 20 -9.350 -0.440 -2.555 1.00 33.40 C ATOM 156 C LYS A 20 -8.341 -1.404 -3.172 1.00 61.30 C ATOM 157 O LYS A 20 -8.712 -2.321 -3.904 1.00 40.30 O ATOM 158 CB LYS A 20 -9.376 0.867 -3.350 1.00 21.40 C ATOM 159 CG LYS A 20 -10.710 1.585 -3.297 1.00 65.20 C ATOM 160 CD LYS A 20 -10.610 2.987 -3.874 1.00 22.40 C ATOM 161 CE LYS A 20 -10.390 2.957 -5.377 1.00 34.10 C ATOM 162 NZ LYS A 20 -8.944 3.007 -5.721 1.00 71.20 N ATOM 0 H LYS A 20 -8.793 0.796 -0.955 1.00 61.50 H new ATOM 0 HA LYS A 20 -10.337 -0.901 -2.594 1.00 33.40 H new ATOM 0 HB2 LYS A 20 -8.601 1.531 -2.967 1.00 21.40 H new ATOM 0 HB3 LYS A 20 -9.129 0.655 -4.390 1.00 21.40 H new ATOM 0 HG2 LYS A 20 -11.454 1.014 -3.852 1.00 65.20 H new ATOM 0 HG3 LYS A 20 -11.055 1.639 -2.264 1.00 65.20 H new ATOM 0 HD2 LYS A 20 -11.522 3.540 -3.650 1.00 22.40 H new ATOM 0 HD3 LYS A 20 -9.789 3.521 -3.396 1.00 22.40 H new ATOM 0 HE2 LYS A 20 -10.832 2.051 -5.792 1.00 34.10 H new ATOM 0 HE3 LYS A 20 -10.903 3.801 -5.837 1.00 34.10 H new ATOM 0 HZ1 LYS A 20 -8.744 3.876 -6.257 1.00 71.20 H new ATOM 0 HZ2 LYS A 20 -8.379 3.001 -4.848 1.00 71.20 H new ATOM 0 HZ3 LYS A 20 -8.696 2.179 -6.299 1.00 71.20 H new ATOM 176 N ALA A 21 -7.065 -1.189 -2.870 1.00 75.00 N ATOM 177 CA ALA A 21 -6.003 -2.039 -3.395 1.00 43.40 C ATOM 178 C ALA A 21 -6.191 -3.487 -2.956 1.00 64.50 C ATOM 179 O ALA A 21 -6.061 -4.411 -3.758 1.00 35.10 O ATOM 180 CB ALA A 21 -4.644 -1.522 -2.946 1.00 31.10 C ATOM 0 H ALA A 21 -6.741 -0.434 -2.265 1.00 75.00 H new ATOM 0 HA ALA A 21 -6.051 -2.008 -4.484 1.00 43.40 H new ATOM 0 HB1 ALA A 21 -3.860 -2.166 -3.345 1.00 31.10 H new ATOM 0 HB2 ALA A 21 -4.502 -0.506 -3.314 1.00 31.10 H new ATOM 0 HB3 ALA A 21 -4.596 -1.524 -1.857 1.00 31.10 H new ATOM 186 N ALA A 22 -6.499 -3.677 -1.677 1.00 11.20 N ATOM 187 CA ALA A 22 -6.705 -5.013 -1.131 1.00 3.23 C ATOM 188 C ALA A 22 -7.855 -5.722 -1.838 1.00 71.30 C ATOM 189 O ALA A 22 -7.850 -6.945 -1.980 1.00 33.20 O ATOM 190 CB ALA A 22 -6.970 -4.936 0.365 1.00 21.50 C ATOM 0 H ALA A 22 -6.611 -2.923 -1.000 1.00 11.20 H new ATOM 0 HA ALA A 22 -5.797 -5.592 -1.299 1.00 3.23 H new ATOM 0 HB1 ALA A 22 -7.122 -5.941 0.760 1.00 21.50 H new ATOM 0 HB2 ALA A 22 -6.116 -4.476 0.863 1.00 21.50 H new ATOM 0 HB3 ALA A 22 -7.862 -4.336 0.546 1.00 21.50 H new ATOM 196 N GLN A 23 -8.840 -4.947 -2.281 1.00 43.10 N ATOM 197 CA GLN A 23 -9.997 -5.502 -2.974 1.00 4.32 C ATOM 198 C GLN A 23 -9.661 -5.815 -4.428 1.00 54.40 C ATOM 199 O GLN A 23 -10.130 -6.804 -4.986 1.00 3.23 O ATOM 200 CB GLN A 23 -11.170 -4.526 -2.908 1.00 53.30 C ATOM 201 CG GLN A 23 -11.940 -4.591 -1.601 1.00 51.10 C ATOM 202 CD GLN A 23 -13.020 -3.531 -1.509 1.00 14.10 C ATOM 203 OE1 GLN A 23 -14.070 -3.641 -2.144 1.00 41.40 O ATOM 204 NE2 GLN A 23 -12.770 -2.496 -0.717 1.00 71.50 N ATOM 0 H GLN A 23 -8.860 -3.933 -2.172 1.00 43.10 H new ATOM 0 HA GLN A 23 -10.277 -6.431 -2.478 1.00 4.32 H new ATOM 0 HB2 GLN A 23 -10.797 -3.512 -3.050 1.00 53.30 H new ATOM 0 HB3 GLN A 23 -11.852 -4.734 -3.733 1.00 53.30 H new ATOM 0 HG2 GLN A 23 -12.394 -5.577 -1.499 1.00 51.10 H new ATOM 0 HG3 GLN A 23 -11.247 -4.472 -0.768 1.00 51.10 H new ATOM 0 HE21 GLN A 23 -11.887 -2.444 -0.209 1.00 71.50 H new ATOM 0 HE22 GLN A 23 -13.461 -1.752 -0.616 1.00 71.50 H new ATOM 213 N GLU A 24 -8.840 -4.966 -5.037 1.00 52.00 N ATOM 214 CA GLU A 24 -8.440 -5.152 -6.427 1.00 43.00 C ATOM 215 C GLU A 24 -7.709 -6.477 -6.610 1.00 35.30 C ATOM 216 O GLU A 24 -8.067 -7.283 -7.469 1.00 54.50 O ATOM 217 CB GLU A 24 -7.548 -3.996 -6.882 1.00 24.40 C ATOM 218 CG GLU A 24 -8.304 -2.698 -7.115 1.00 72.10 C ATOM 219 CD GLU A 24 -9.246 -2.778 -8.300 1.00 63.20 C ATOM 220 OE1 GLU A 24 -10.380 -3.265 -8.124 1.00 24.10 O ATOM 221 OE2 GLU A 24 -8.848 -2.352 -9.405 1.00 61.40 O ATOM 0 H GLU A 24 -8.438 -4.142 -4.590 1.00 52.00 H new ATOM 0 HA GLU A 24 -9.342 -5.168 -7.039 1.00 43.00 H new ATOM 0 HB2 GLU A 24 -6.776 -3.827 -6.131 1.00 24.40 H new ATOM 0 HB3 GLU A 24 -7.040 -4.281 -7.803 1.00 24.40 H new ATOM 0 HG2 GLU A 24 -8.873 -2.447 -6.220 1.00 72.10 H new ATOM 0 HG3 GLU A 24 -7.590 -1.890 -7.276 1.00 72.10 H new ATOM 228 N ASP A 25 -6.681 -6.697 -5.796 1.00 70.20 N ATOM 229 CA ASP A 25 -5.898 -7.925 -5.868 1.00 1.12 C ATOM 230 C ASP A 25 -6.749 -9.135 -5.496 1.00 62.10 C ATOM 231 O ASP A 25 -6.706 -10.160 -6.166 1.00 25.50 O ATOM 232 CB ASP A 25 -4.684 -7.836 -4.942 1.00 33.10 C ATOM 233 CG ASP A 25 -3.764 -9.033 -5.079 1.00 33.00 C ATOM 234 OD1 ASP A 25 -4.170 -10.140 -4.676 1.00 12.30 O ATOM 235 OD2 ASP A 25 -2.636 -8.860 -5.588 1.00 51.40 O ATOM 0 H ASP A 25 -6.371 -6.041 -5.079 1.00 70.20 H new ATOM 0 HA ASP A 25 -5.554 -8.047 -6.895 1.00 1.12 H new ATOM 0 HB2 ASP A 25 -4.127 -6.926 -5.164 1.00 33.10 H new ATOM 0 HB3 ASP A 25 -5.023 -7.758 -3.909 1.00 33.10 H new ATOM 240 N LYS A 26 -7.521 -9.001 -4.423 1.00 44.30 N ATOM 241 CA LYS A 26 -8.383 -10.080 -3.961 1.00 32.40 C ATOM 242 C LYS A 26 -9.448 -10.410 -5.001 1.00 54.30 C ATOM 243 O LYS A 26 -9.875 -11.560 -5.125 1.00 72.40 O ATOM 244 CB LYS A 26 -9.047 -9.704 -2.636 1.00 54.30 C ATOM 245 CG LYS A 26 -8.204 -10.030 -1.416 1.00 14.00 C ATOM 246 CD LYS A 26 -9.070 -10.270 -0.189 1.00 62.40 C ATOM 247 CE LYS A 26 -9.251 -8.997 0.618 1.00 52.00 C ATOM 248 NZ LYS A 26 -9.894 -7.920 -0.184 1.00 54.40 N ATOM 0 H LYS A 26 -7.567 -8.154 -3.857 1.00 44.30 H new ATOM 0 HA LYS A 26 -7.763 -10.963 -3.809 1.00 32.40 H new ATOM 0 HB2 LYS A 26 -9.267 -8.636 -2.640 1.00 54.30 H new ATOM 0 HB3 LYS A 26 -10.001 -10.225 -2.557 1.00 54.30 H new ATOM 0 HG2 LYS A 26 -7.600 -10.915 -1.615 1.00 14.00 H new ATOM 0 HG3 LYS A 26 -7.513 -9.210 -1.220 1.00 14.00 H new ATOM 0 HD2 LYS A 26 -10.044 -10.649 -0.498 1.00 62.40 H new ATOM 0 HD3 LYS A 26 -8.613 -11.037 0.436 1.00 62.40 H new ATOM 0 HE2 LYS A 26 -9.860 -9.208 1.497 1.00 52.00 H new ATOM 0 HE3 LYS A 26 -8.281 -8.653 0.977 1.00 52.00 H new ATOM 0 HZ1 LYS A 26 -10.230 -7.168 0.451 1.00 54.40 H new ATOM 0 HZ2 LYS A 26 -9.202 -7.525 -0.853 1.00 54.40 H new ATOM 0 HZ3 LYS A 26 -10.699 -8.314 -0.711 1.00 54.40 H new ATOM 262 N ALA A 27 -9.873 -9.398 -5.747 1.00 55.10 N ATOM 263 CA ALA A 27 -10.880 -9.580 -6.777 1.00 75.40 C ATOM 264 C ALA A 27 -10.290 -10.220 -8.025 1.00 51.20 C ATOM 265 O ALA A 27 -10.890 -11.120 -8.612 1.00 25.30 O ATOM 266 CB ALA A 27 -11.530 -8.245 -7.125 1.00 20.00 C ATOM 0 H ALA A 27 -9.533 -8.441 -5.655 1.00 55.10 H new ATOM 0 HA ALA A 27 -11.641 -10.254 -6.383 1.00 75.40 H new ATOM 0 HB1 ALA A 27 -12.283 -8.397 -7.899 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -12.003 -7.828 -6.236 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -10.770 -7.554 -7.490 1.00 20.00 H new ATOM 272 N GLY A 28 -9.118 -9.755 -8.425 1.00 13.10 N ATOM 273 CA GLY A 28 -8.464 -10.290 -9.601 1.00 71.40 C ATOM 274 C GLY A 28 -7.451 -9.340 -10.190 1.00 42.30 C ATOM 275 O GLY A 28 -6.464 -9.765 -10.790 1.00 54.30 O ATOM 0 H GLY A 28 -8.604 -9.011 -7.953 1.00 13.10 H new ATOM 0 HA2 GLY A 28 -7.970 -11.226 -9.342 1.00 71.40 H new ATOM 0 HA3 GLY A 28 -9.216 -10.525 -10.354 1.00 71.40 H new ATOM 279 N ASN A 29 -7.695 -8.045 -10.020 1.00 64.10 N ATOM 280 CA ASN A 29 -6.796 -7.024 -10.550 1.00 62.00 C ATOM 281 C ASN A 29 -5.522 -6.940 -9.718 1.00 22.10 C ATOM 282 O ASN A 29 -5.555 -6.537 -8.555 1.00 73.20 O ATOM 283 CB ASN A 29 -7.494 -5.663 -10.570 1.00 22.10 C ATOM 284 CG ASN A 29 -8.850 -5.721 -11.250 1.00 71.50 C ATOM 285 OD1 ASN A 29 -9.176 -6.693 -11.930 1.00 72.50 O ATOM 286 ND2 ASN A 29 -9.648 -4.675 -11.060 1.00 34.10 N ATOM 0 H ASN A 29 -8.505 -7.677 -9.521 1.00 64.10 H new ATOM 0 HA ASN A 29 -6.528 -7.303 -11.569 1.00 62.00 H new ATOM 0 HB2 ASN A 29 -7.618 -5.306 -9.548 1.00 22.10 H new ATOM 0 HB3 ASN A 29 -6.862 -4.940 -11.086 1.00 22.10 H new ATOM 0 HD21 ASN A 29 -10.574 -4.656 -11.487 1.00 34.10 H new ATOM 0 HD22 ASN A 29 -9.334 -3.891 -10.488 1.00 34.10 H new ATOM 293 N TYR A 30 -4.400 -7.322 -10.310 1.00 64.20 N ATOM 294 CA TYR A 30 -3.115 -7.290 -9.631 1.00 40.50 C ATOM 295 C TYR A 30 -2.325 -6.041 -10.010 1.00 30.10 C ATOM 296 O TYR A 30 -1.628 -5.459 -9.180 1.00 63.10 O ATOM 297 CB TYR A 30 -2.302 -8.542 -9.965 1.00 1.44 C ATOM 298 CG TYR A 30 -2.695 -9.755 -9.151 1.00 31.00 C ATOM 299 CD1 TYR A 30 -4.031 -10.050 -8.923 1.00 72.20 C ATOM 300 CD2 TYR A 30 -1.730 -10.590 -8.611 1.00 75.10 C ATOM 301 CE1 TYR A 30 -4.394 -11.160 -8.180 1.00 65.20 C ATOM 302 CE2 TYR A 30 -2.085 -11.700 -7.867 1.00 52.40 C ATOM 303 CZ TYR A 30 -3.418 -11.980 -7.654 1.00 72.10 C ATOM 304 OH TYR A 30 -3.775 -13.080 -6.914 1.00 44.10 O ATOM 0 H TYR A 30 -4.355 -7.661 -11.271 1.00 64.20 H new ATOM 0 HA TYR A 30 -3.305 -7.265 -8.558 1.00 40.50 H new ATOM 0 HB2 TYR A 30 -2.422 -8.771 -11.024 1.00 1.44 H new ATOM 0 HB3 TYR A 30 -1.245 -8.333 -9.802 1.00 1.44 H new ATOM 0 HD1 TYR A 30 -4.797 -9.406 -9.330 1.00 72.20 H new ATOM 0 HD2 TYR A 30 -0.685 -10.371 -8.774 1.00 75.10 H new ATOM 0 HE1 TYR A 30 -5.437 -11.383 -8.013 1.00 65.20 H new ATOM 0 HE2 TYR A 30 -1.322 -12.344 -7.455 1.00 52.40 H new ATOM 0 HH TYR A 30 -2.968 -13.551 -6.618 1.00 44.10 H new ATOM 314 N GLU A 31 -2.441 -5.635 -11.270 1.00 2.02 N ATOM 315 CA GLU A 31 -1.738 -4.455 -11.760 1.00 34.50 C ATOM 316 C GLU A 31 -2.239 -3.195 -11.060 1.00 0.15 C ATOM 317 O GLU A 31 -1.453 -2.425 -10.510 1.00 22.10 O ATOM 318 CB GLU A 31 -1.917 -4.321 -13.270 1.00 61.00 C ATOM 319 CG GLU A 31 -0.884 -5.091 -14.080 1.00 63.10 C ATOM 320 CD GLU A 31 -0.589 -4.444 -15.420 1.00 60.20 C ATOM 321 OE1 GLU A 31 -1.545 -3.984 -16.080 1.00 54.00 O ATOM 322 OE2 GLU A 31 0.597 -4.397 -15.800 1.00 31.20 O ATOM 0 H GLU A 31 -3.015 -6.105 -11.970 1.00 2.02 H new ATOM 0 HA GLU A 31 -0.678 -4.574 -11.538 1.00 34.50 H new ATOM 0 HB2 GLU A 31 -2.913 -4.671 -13.541 1.00 61.00 H new ATOM 0 HB3 GLU A 31 -1.865 -3.266 -13.541 1.00 61.00 H new ATOM 0 HG2 GLU A 31 0.040 -5.165 -13.506 1.00 63.10 H new ATOM 0 HG3 GLU A 31 -1.241 -6.108 -14.243 1.00 63.10 H new ATOM 329 N GLU A 32 -3.552 -2.991 -11.090 1.00 31.30 N ATOM 330 CA GLU A 32 -4.158 -1.824 -10.460 1.00 32.40 C ATOM 331 C GLU A 32 -3.894 -1.817 -8.962 1.00 55.50 C ATOM 332 O GLU A 32 -3.688 -0.762 -8.362 1.00 24.00 O ATOM 333 CB GLU A 32 -5.665 -1.800 -10.720 1.00 54.40 C ATOM 334 CG GLU A 32 -6.281 -0.415 -10.610 1.00 2.35 C ATOM 335 CD GLU A 32 -6.324 0.312 -11.940 1.00 44.50 C ATOM 336 OE1 GLU A 32 -5.388 0.129 -12.750 1.00 33.10 O ATOM 337 OE2 GLU A 32 -7.292 1.065 -12.180 1.00 60.20 O ATOM 0 H GLU A 32 -4.216 -3.618 -11.544 1.00 31.30 H new ATOM 0 HA GLU A 32 -3.706 -0.934 -10.897 1.00 32.40 H new ATOM 0 HB2 GLU A 32 -5.859 -2.196 -11.717 1.00 54.40 H new ATOM 0 HB3 GLU A 32 -6.158 -2.465 -10.011 1.00 54.40 H new ATOM 0 HG2 GLU A 32 -7.293 -0.502 -10.215 1.00 2.35 H new ATOM 0 HG3 GLU A 32 -5.710 0.177 -9.895 1.00 2.35 H new ATOM 344 N ALA A 33 -3.902 -3.001 -8.359 1.00 42.30 N ATOM 345 CA ALA A 33 -3.664 -3.132 -6.927 1.00 60.40 C ATOM 346 C ALA A 33 -2.251 -2.687 -6.563 1.00 41.40 C ATOM 347 O ALA A 33 -2.034 -2.062 -5.526 1.00 10.30 O ATOM 348 CB ALA A 33 -3.898 -4.568 -6.482 1.00 0.21 C ATOM 0 H ALA A 33 -4.071 -3.884 -8.841 1.00 42.30 H new ATOM 0 HA ALA A 33 -4.367 -2.483 -6.406 1.00 60.40 H new ATOM 0 HB1 ALA A 33 -3.717 -4.651 -5.410 1.00 0.21 H new ATOM 0 HB2 ALA A 33 -4.928 -4.853 -6.699 1.00 0.21 H new ATOM 0 HB3 ALA A 33 -3.218 -5.230 -7.018 1.00 0.21 H new ATOM 354 N LEU A 34 -1.293 -3.014 -7.425 1.00 62.50 N ATOM 355 CA LEU A 34 0.099 -2.648 -7.194 1.00 32.10 C ATOM 356 C LEU A 34 0.256 -1.134 -7.105 1.00 12.40 C ATOM 357 O LEU A 34 0.878 -0.618 -6.176 1.00 72.30 O ATOM 358 CB LEU A 34 0.985 -3.200 -8.313 1.00 40.40 C ATOM 359 CG LEU A 34 2.467 -2.837 -8.203 1.00 40.00 C ATOM 360 CD1 LEU A 34 3.106 -3.556 -7.025 1.00 12.30 C ATOM 361 CD2 LEU A 34 3.195 -3.177 -9.496 1.00 32.30 C ATOM 0 H LEU A 34 -1.456 -3.531 -8.289 1.00 62.50 H new ATOM 0 HA LEU A 34 0.411 -3.083 -6.245 1.00 32.10 H new ATOM 0 HB2 LEU A 34 0.892 -4.286 -8.327 1.00 40.40 H new ATOM 0 HB3 LEU A 34 0.607 -2.836 -9.268 1.00 40.40 H new ATOM 0 HG LEU A 34 2.548 -1.763 -8.034 1.00 40.00 H new ATOM 0 HD11 LEU A 34 4.160 -3.286 -6.962 1.00 12.30 H new ATOM 0 HD12 LEU A 34 2.601 -3.265 -6.104 1.00 12.30 H new ATOM 0 HD13 LEU A 34 3.015 -4.633 -7.164 1.00 12.30 H new ATOM 0 HD21 LEU A 34 4.248 -2.913 -9.401 1.00 32.30 H new ATOM 0 HD22 LEU A 34 3.106 -4.245 -9.694 1.00 32.30 H new ATOM 0 HD23 LEU A 34 2.753 -2.617 -10.320 1.00 32.30 H new ATOM 373 N GLN A 35 -0.311 -0.427 -8.077 1.00 33.10 N ATOM 374 CA GLN A 35 -0.234 1.029 -8.108 1.00 3.55 C ATOM 375 C GLN A 35 -0.919 1.636 -6.887 1.00 2.33 C ATOM 376 O GLN A 35 -0.488 2.667 -6.370 1.00 63.30 O ATOM 377 CB GLN A 35 -0.876 1.567 -9.388 1.00 24.30 C ATOM 378 CG GLN A 35 0.085 1.651 -10.560 1.00 43.10 C ATOM 379 CD GLN A 35 0.707 3.026 -10.700 1.00 22.10 C ATOM 380 OE1 GLN A 35 1.800 3.283 -10.200 1.00 3.54 O ATOM 381 NE2 GLN A 35 0.010 3.919 -11.400 1.00 24.20 N ATOM 0 H GLN A 35 -0.829 -0.839 -8.853 1.00 33.10 H new ATOM 0 HA GLN A 35 0.818 1.313 -8.090 1.00 3.55 H new ATOM 0 HB2 GLN A 35 -1.714 0.926 -9.661 1.00 24.30 H new ATOM 0 HB3 GLN A 35 -1.284 2.559 -9.191 1.00 24.30 H new ATOM 0 HG2 GLN A 35 0.874 0.910 -10.433 1.00 43.10 H new ATOM 0 HG3 GLN A 35 -0.444 1.399 -11.479 1.00 43.10 H new ATOM 0 HE21 GLN A 35 -0.894 3.663 -11.798 1.00 24.20 H new ATOM 0 HE22 GLN A 35 0.380 4.859 -11.539 1.00 24.20 H new ATOM 390 N LEU A 36 -1.987 0.990 -6.432 1.00 45.10 N ATOM 391 CA LEU A 36 -2.731 1.466 -5.272 1.00 31.50 C ATOM 392 C LEU A 36 -1.967 1.185 -3.982 1.00 21.30 C ATOM 393 O LEU A 36 -1.937 2.015 -3.073 1.00 54.30 O ATOM 394 CB LEU A 36 -4.109 0.803 -5.216 1.00 1.12 C ATOM 395 CG LEU A 36 -5.019 1.101 -6.409 1.00 51.10 C ATOM 396 CD1 LEU A 36 -6.008 -0.035 -6.622 1.00 50.30 C ATOM 397 CD2 LEU A 36 -5.753 2.417 -6.202 1.00 13.40 C ATOM 0 H LEU A 36 -2.357 0.136 -6.849 1.00 45.10 H new ATOM 0 HA LEU A 36 -2.857 2.544 -5.371 1.00 31.50 H new ATOM 0 HB2 LEU A 36 -3.974 -0.276 -5.142 1.00 1.12 H new ATOM 0 HB3 LEU A 36 -4.613 1.124 -4.305 1.00 1.12 H new ATOM 0 HG LEU A 36 -4.400 1.189 -7.302 1.00 51.10 H new ATOM 0 HD11 LEU A 36 -6.647 0.194 -7.475 1.00 50.30 H new ATOM 0 HD12 LEU A 36 -5.464 -0.960 -6.814 1.00 50.30 H new ATOM 0 HD13 LEU A 36 -6.622 -0.155 -5.730 1.00 50.30 H new ATOM 0 HD21 LEU A 36 -6.396 2.614 -7.060 1.00 13.40 H new ATOM 0 HD22 LEU A 36 -6.361 2.357 -5.299 1.00 13.40 H new ATOM 0 HD23 LEU A 36 -5.029 3.225 -6.098 1.00 13.40 H new ATOM 409 N TYR A 37 -1.350 0.010 -3.910 1.00 3.12 N ATOM 410 CA TYR A 37 -0.585 -0.380 -2.731 1.00 24.30 C ATOM 411 C TYR A 37 0.562 0.594 -2.480 1.00 60.10 C ATOM 412 O TYR A 37 0.739 1.085 -1.365 1.00 65.40 O ATOM 413 CB TYR A 37 -0.037 -1.798 -2.900 1.00 2.32 C ATOM 414 CG TYR A 37 -1.100 -2.871 -2.830 1.00 53.20 C ATOM 415 CD1 TYR A 37 -2.094 -2.829 -1.860 1.00 62.40 C ATOM 416 CD2 TYR A 37 -1.110 -3.926 -3.734 1.00 44.30 C ATOM 417 CE1 TYR A 37 -3.067 -3.808 -1.793 1.00 43.10 C ATOM 418 CE2 TYR A 37 -2.080 -4.909 -3.674 1.00 55.30 C ATOM 419 CZ TYR A 37 -3.056 -4.845 -2.702 1.00 20.00 C ATOM 420 OH TYR A 37 -4.023 -5.822 -2.638 1.00 30.20 O ATOM 0 H TYR A 37 -1.365 -0.688 -4.653 1.00 3.12 H new ATOM 0 HA TYR A 37 -1.253 -0.356 -1.870 1.00 24.30 H new ATOM 0 HB2 TYR A 37 0.476 -1.868 -3.859 1.00 2.32 H new ATOM 0 HB3 TYR A 37 0.708 -1.985 -2.126 1.00 2.32 H new ATOM 0 HD1 TYR A 37 -2.106 -2.018 -1.147 1.00 62.40 H new ATOM 0 HD2 TYR A 37 -0.347 -3.979 -4.497 1.00 44.30 H new ATOM 0 HE1 TYR A 37 -3.832 -3.761 -1.032 1.00 43.10 H new ATOM 0 HE2 TYR A 37 -2.073 -5.722 -4.384 1.00 55.30 H new ATOM 0 HH TYR A 37 -4.808 -5.539 -3.151 1.00 30.20 H new ATOM 430 N GLN A 38 1.338 0.868 -3.523 1.00 54.10 N ATOM 431 CA GLN A 38 2.468 1.784 -3.415 1.00 23.10 C ATOM 432 C GLN A 38 2.003 3.176 -3.000 1.00 44.40 C ATOM 433 O GLN A 38 2.662 3.852 -2.211 1.00 44.00 O ATOM 434 CB GLN A 38 3.218 1.860 -4.746 1.00 14.30 C ATOM 435 CG GLN A 38 3.970 0.586 -5.094 1.00 20.40 C ATOM 436 CD GLN A 38 4.360 0.520 -6.557 1.00 51.30 C ATOM 437 OE1 GLN A 38 4.519 -0.694 -7.073 1.00 0.13 O flip ATOM 438 NE2 GLN A 38 4.515 1.547 -7.217 1.00 14.30 N flip ATOM 0 H GLN A 38 1.205 0.469 -4.452 1.00 54.10 H new ATOM 0 HA GLN A 38 3.141 1.402 -2.647 1.00 23.10 H new ATOM 0 HB2 GLN A 38 2.507 2.081 -5.542 1.00 14.30 H new ATOM 0 HB3 GLN A 38 3.924 2.690 -4.709 1.00 14.30 H new ATOM 0 HG2 GLN A 38 4.868 0.519 -4.479 1.00 20.40 H new ATOM 0 HG3 GLN A 38 3.350 -0.276 -4.848 1.00 20.40 H new ATOM 0 HE21 GLN A 38 4.382 2.459 -6.780 1.00 14.30 H new ATOM 0 HE22 GLN A 38 4.776 1.486 -8.201 1.00 14.30 H new ATOM 447 N HIS A 39 0.863 3.598 -3.538 1.00 61.00 N ATOM 448 CA HIS A 39 0.309 4.910 -3.224 1.00 63.30 C ATOM 449 C HIS A 39 0.020 5.035 -1.731 1.00 15.20 C ATOM 450 O HIS A 39 0.335 6.051 -1.111 1.00 62.10 O ATOM 451 CB HIS A 39 -0.971 5.152 -4.025 1.00 24.40 C ATOM 452 CG HIS A 39 -0.734 5.810 -5.348 1.00 45.30 C ATOM 453 ND1 HIS A 39 -1.755 6.207 -6.186 1.00 13.50 N ATOM 454 CD2 HIS A 39 0.418 6.143 -5.979 1.00 44.10 C ATOM 455 CE1 HIS A 39 -1.242 6.754 -7.274 1.00 65.00 C ATOM 456 NE2 HIS A 39 0.074 6.728 -7.172 1.00 40.10 N ATOM 0 H HIS A 39 0.305 3.050 -4.193 1.00 61.00 H new ATOM 0 HA HIS A 39 1.048 5.663 -3.497 1.00 63.30 H new ATOM 0 HB2 HIS A 39 -1.474 4.199 -4.188 1.00 24.40 H new ATOM 0 HB3 HIS A 39 -1.647 5.772 -3.436 1.00 24.40 H new ATOM 0 HD2 HIS A 39 1.420 5.979 -5.612 1.00 44.10 H new ATOM 0 HE1 HIS A 39 -1.804 7.154 -8.105 1.00 65.00 H new ATOM 0 HE2 HIS A 39 0.729 7.085 -7.867 1.00 40.10 H new ATOM 465 N ALA A 40 -0.581 3.996 -1.161 1.00 34.20 N ATOM 466 CA ALA A 40 -0.913 3.990 0.258 1.00 53.20 C ATOM 467 C ALA A 40 0.339 4.147 1.115 1.00 63.30 C ATOM 468 O ALA A 40 0.367 4.946 2.051 1.00 54.10 O ATOM 469 CB ALA A 40 -1.647 2.708 0.623 1.00 14.30 C ATOM 0 H ALA A 40 -0.848 3.148 -1.660 1.00 34.20 H new ATOM 0 HA ALA A 40 -1.567 4.839 0.457 1.00 53.20 H new ATOM 0 HB1 ALA A 40 -1.889 2.717 1.686 1.00 14.30 H new ATOM 0 HB2 ALA A 40 -2.567 2.637 0.042 1.00 14.30 H new ATOM 0 HB3 ALA A 40 -1.012 1.850 0.403 1.00 14.30 H new ATOM 475 N VAL A 41 1.373 3.378 0.789 1.00 72.10 N ATOM 476 CA VAL A 41 2.628 3.432 1.529 1.00 61.10 C ATOM 477 C VAL A 41 3.254 4.820 1.449 1.00 74.20 C ATOM 478 O VAL A 41 3.871 5.289 2.406 1.00 10.10 O ATOM 479 CB VAL A 41 3.637 2.395 1.000 1.00 43.10 C ATOM 480 CG1 VAL A 41 4.857 2.327 1.905 1.00 22.40 C ATOM 481 CG2 VAL A 41 2.981 1.029 0.872 1.00 12.00 C ATOM 0 H VAL A 41 1.366 2.711 0.018 1.00 72.10 H new ATOM 0 HA VAL A 41 2.393 3.202 2.568 1.00 61.10 H new ATOM 0 HB VAL A 41 3.966 2.708 0.009 1.00 43.10 H new ATOM 0 HG11 VAL A 41 5.558 1.589 1.515 1.00 22.40 H new ATOM 0 HG12 VAL A 41 5.340 3.304 1.939 1.00 22.40 H new ATOM 0 HG13 VAL A 41 4.549 2.039 2.910 1.00 22.40 H new ATOM 0 HG21 VAL A 41 3.709 0.310 0.497 1.00 12.00 H new ATOM 0 HG22 VAL A 41 2.621 0.705 1.849 1.00 12.00 H new ATOM 0 HG23 VAL A 41 2.142 1.092 0.179 1.00 12.00 H new ATOM 491 N GLN A 42 3.090 5.472 0.303 1.00 52.30 N ATOM 492 CA GLN A 42 3.639 6.807 0.098 1.00 65.10 C ATOM 493 C GLN A 42 2.971 7.818 1.025 1.00 64.30 C ATOM 494 O GLN A 42 3.645 8.589 1.708 1.00 63.20 O ATOM 495 CB GLN A 42 3.461 7.237 -1.359 1.00 43.40 C ATOM 496 CG GLN A 42 4.541 6.705 -2.287 1.00 35.40 C ATOM 497 CD GLN A 42 4.885 7.678 -3.398 1.00 55.20 C ATOM 498 OE1 GLN A 42 4.734 7.367 -4.579 1.00 12.10 O ATOM 499 NE2 GLN A 42 5.353 8.863 -3.023 1.00 53.30 N ATOM 0 H GLN A 42 2.581 5.098 -0.498 1.00 52.30 H new ATOM 0 HA GLN A 42 4.703 6.775 0.332 1.00 65.10 H new ATOM 0 HB2 GLN A 42 2.489 6.895 -1.714 1.00 43.40 H new ATOM 0 HB3 GLN A 42 3.454 8.326 -1.409 1.00 43.40 H new ATOM 0 HG2 GLN A 42 5.439 6.488 -1.708 1.00 35.40 H new ATOM 0 HG3 GLN A 42 4.208 5.763 -2.724 1.00 35.40 H new ATOM 0 HE21 GLN A 42 5.462 9.078 -2.032 1.00 53.30 H new ATOM 0 HE22 GLN A 42 5.603 9.558 -3.726 1.00 53.30 H new ATOM 508 N TYR A 43 1.642 7.809 1.042 1.00 42.30 N ATOM 509 CA TYR A 43 0.882 8.725 1.884 1.00 63.10 C ATOM 510 C TYR A 43 0.982 8.324 3.352 1.00 73.20 C ATOM 511 O TYR A 43 1.037 9.178 4.237 1.00 12.50 O ATOM 512 CB TYR A 43 -0.584 8.753 1.450 1.00 23.10 C ATOM 513 CG TYR A 43 -0.783 9.181 0.013 1.00 43.30 C ATOM 514 CD1 TYR A 43 -0.495 10.478 -0.391 1.00 53.20 C ATOM 515 CD2 TYR A 43 -1.259 8.287 -0.938 1.00 41.20 C ATOM 516 CE1 TYR A 43 -0.676 10.873 -1.703 1.00 51.30 C ATOM 517 CE2 TYR A 43 -1.441 8.674 -2.252 1.00 34.30 C ATOM 518 CZ TYR A 43 -1.149 9.968 -2.629 1.00 62.40 C ATOM 519 OH TYR A 43 -1.329 10.357 -3.937 1.00 52.20 O ATOM 0 H TYR A 43 1.069 7.177 0.482 1.00 42.30 H new ATOM 0 HA TYR A 43 1.307 9.722 1.768 1.00 63.10 H new ATOM 0 HB2 TYR A 43 -1.014 7.761 1.587 1.00 23.10 H new ATOM 0 HB3 TYR A 43 -1.134 9.432 2.102 1.00 23.10 H new ATOM 0 HD1 TYR A 43 -0.124 11.189 0.332 1.00 53.20 H new ATOM 0 HD2 TYR A 43 -1.490 7.273 -0.646 1.00 41.20 H new ATOM 0 HE1 TYR A 43 -0.448 11.886 -2.001 1.00 51.30 H new ATOM 0 HE2 TYR A 43 -1.810 7.967 -2.980 1.00 34.30 H new ATOM 0 HH TYR A 43 -1.667 9.600 -4.460 1.00 52.20 H new ATOM 529 N PHE A 44 1.006 7.019 3.604 1.00 12.40 N ATOM 530 CA PHE A 44 1.099 6.505 4.965 1.00 14.30 C ATOM 531 C PHE A 44 2.392 6.963 5.632 1.00 11.40 C ATOM 532 O PHE A 44 2.368 7.582 6.696 1.00 74.40 O ATOM 533 CB PHE A 44 1.027 4.977 4.961 1.00 20.30 C ATOM 534 CG PHE A 44 -0.375 4.442 5.014 1.00 62.30 C ATOM 535 CD1 PHE A 44 -1.271 4.904 5.965 1.00 63.10 C ATOM 536 CD2 PHE A 44 -0.798 3.477 4.114 1.00 22.20 C ATOM 537 CE1 PHE A 44 -2.562 4.413 6.017 1.00 62.20 C ATOM 538 CE2 PHE A 44 -2.087 2.983 4.160 1.00 11.20 C ATOM 539 CZ PHE A 44 -2.971 3.451 5.113 1.00 22.30 C ATOM 0 H PHE A 44 0.962 6.299 2.883 1.00 12.40 H new ATOM 0 HA PHE A 44 0.258 6.900 5.535 1.00 14.30 H new ATOM 0 HB2 PHE A 44 1.517 4.601 4.063 1.00 20.30 H new ATOM 0 HB3 PHE A 44 1.586 4.593 5.814 1.00 20.30 H new ATOM 0 HD1 PHE A 44 -0.957 5.656 6.673 1.00 63.10 H new ATOM 0 HD2 PHE A 44 -0.111 3.107 3.367 1.00 22.20 H new ATOM 0 HE1 PHE A 44 -3.250 4.781 6.763 1.00 62.20 H new ATOM 0 HE2 PHE A 44 -2.404 2.232 3.452 1.00 11.20 H new ATOM 0 HZ PHE A 44 -3.979 3.066 5.151 1.00 22.30 H new ATOM 549 N LEU A 45 3.519 6.654 5.000 1.00 71.50 N ATOM 550 CA LEU A 45 4.823 7.034 5.533 1.00 43.20 C ATOM 551 C LEU A 45 4.941 8.550 5.652 1.00 23.40 C ATOM 552 O LEU A 45 5.622 9.061 6.541 1.00 53.30 O ATOM 553 CB LEU A 45 5.940 6.492 4.639 1.00 25.10 C ATOM 554 CG LEU A 45 6.010 4.967 4.542 1.00 71.50 C ATOM 555 CD1 LEU A 45 7.095 4.544 3.565 1.00 14.40 C ATOM 556 CD2 LEU A 45 6.258 4.358 5.914 1.00 35.30 C ATOM 0 H LEU A 45 3.556 6.142 4.119 1.00 71.50 H new ATOM 0 HA LEU A 45 4.922 6.601 6.528 1.00 43.20 H new ATOM 0 HB2 LEU A 45 5.811 6.899 3.636 1.00 25.10 H new ATOM 0 HB3 LEU A 45 6.895 6.861 5.013 1.00 25.10 H new ATOM 0 HG LEU A 45 5.053 4.600 4.171 1.00 71.50 H new ATOM 0 HD11 LEU A 45 7.130 3.456 3.509 1.00 14.40 H new ATOM 0 HD12 LEU A 45 6.875 4.951 2.578 1.00 14.40 H new ATOM 0 HD13 LEU A 45 8.059 4.921 3.906 1.00 14.40 H new ATOM 0 HD21 LEU A 45 6.305 3.272 5.827 1.00 35.30 H new ATOM 0 HD22 LEU A 45 7.201 4.731 6.313 1.00 35.30 H new ATOM 0 HD23 LEU A 45 5.446 4.633 6.587 1.00 35.30 H new ATOM 568 N HIS A 46 4.274 9.263 4.751 1.00 54.10 N ATOM 569 CA HIS A 46 4.304 10.721 4.755 1.00 5.40 C ATOM 570 C HIS A 46 3.753 11.273 6.066 1.00 23.40 C ATOM 571 O HIS A 46 4.254 12.267 6.591 1.00 54.50 O ATOM 572 CB HIS A 46 3.498 11.272 3.577 1.00 11.30 C ATOM 573 CG HIS A 46 3.567 12.762 3.450 1.00 10.30 C ATOM 574 ND1 HIS A 46 2.808 13.735 4.009 1.00 62.30 N flip ATOM 575 CD2 HIS A 46 4.503 13.409 2.671 1.00 60.50 C flip ATOM 576 CE1 HIS A 46 3.295 14.938 3.561 1.00 55.40 C flip ATOM 577 NE2 HIS A 46 4.317 14.715 2.757 1.00 73.40 N flip ATOM 0 H HIS A 46 3.706 8.855 4.009 1.00 54.10 H new ATOM 0 HA HIS A 46 5.342 11.038 4.656 1.00 5.40 H new ATOM 0 HB2 HIS A 46 3.862 10.820 2.655 1.00 11.30 H new ATOM 0 HB3 HIS A 46 2.456 10.973 3.689 1.00 11.30 H new ATOM 0 HD2 HIS A 46 5.268 12.925 2.083 1.00 60.50 H new ATOM 0 HE1 HIS A 46 2.905 15.910 3.824 1.00 55.40 H new ATOM 0 HE2 HIS A 46 4.870 15.429 2.282 1.00 73.40 H new ATOM 586 N VAL A 47 2.719 10.621 6.588 1.00 12.30 N ATOM 587 CA VAL A 47 2.101 11.047 7.838 1.00 52.50 C ATOM 588 C VAL A 47 2.978 10.693 9.034 1.00 60.40 C ATOM 589 O VAL A 47 3.019 11.424 10.023 1.00 13.30 O ATOM 590 CB VAL A 47 0.714 10.404 8.025 1.00 1.24 C ATOM 591 CG1 VAL A 47 0.002 11.010 9.225 1.00 11.10 C ATOM 592 CG2 VAL A 47 -0.123 10.561 6.764 1.00 11.30 C ATOM 0 H VAL A 47 2.292 9.797 6.165 1.00 12.30 H new ATOM 0 HA VAL A 47 1.988 12.130 7.782 1.00 52.50 H new ATOM 0 HB VAL A 47 0.850 9.339 8.212 1.00 1.24 H new ATOM 0 HG11 VAL A 47 -0.976 10.543 9.341 1.00 11.10 H new ATOM 0 HG12 VAL A 47 0.595 10.840 10.124 1.00 11.10 H new ATOM 0 HG13 VAL A 47 -0.123 12.082 9.071 1.00 11.10 H new ATOM 0 HG21 VAL A 47 -1.099 10.100 6.916 1.00 11.30 H new ATOM 0 HG22 VAL A 47 -0.252 11.620 6.542 1.00 11.30 H new ATOM 0 HG23 VAL A 47 0.382 10.075 5.929 1.00 11.30 H new ATOM 602 N VAL A 48 3.677 9.567 8.936 1.00 54.20 N ATOM 603 CA VAL A 48 4.554 9.116 10.010 1.00 34.30 C ATOM 604 C VAL A 48 5.859 9.904 10.020 1.00 2.21 C ATOM 605 O VAL A 48 6.412 10.194 11.081 1.00 3.10 O ATOM 606 CB VAL A 48 4.874 7.615 9.881 1.00 30.20 C ATOM 607 CG1 VAL A 48 5.622 7.121 11.109 1.00 35.20 C ATOM 608 CG2 VAL A 48 3.599 6.814 9.666 1.00 42.40 C ATOM 0 H VAL A 48 3.653 8.950 8.124 1.00 54.20 H new ATOM 0 HA VAL A 48 4.022 9.287 10.946 1.00 34.30 H new ATOM 0 HB VAL A 48 5.516 7.472 9.012 1.00 30.20 H new ATOM 0 HG11 VAL A 48 5.839 6.059 11.000 1.00 35.20 H new ATOM 0 HG12 VAL A 48 6.556 7.674 11.213 1.00 35.20 H new ATOM 0 HG13 VAL A 48 5.008 7.276 11.996 1.00 35.20 H new ATOM 0 HG21 VAL A 48 3.845 5.756 9.577 1.00 42.40 H new ATOM 0 HG22 VAL A 48 2.930 6.961 10.514 1.00 42.40 H new ATOM 0 HG23 VAL A 48 3.108 7.150 8.753 1.00 42.40 H new ATOM 618 N LYS A 49 6.348 10.246 8.832 1.00 62.30 N ATOM 619 CA LYS A 49 7.589 11.000 8.705 1.00 71.40 C ATOM 620 C LYS A 49 7.375 12.466 9.067 1.00 20.40 C ATOM 621 O LYS A 49 8.277 13.127 9.581 1.00 32.20 O ATOM 622 CB LYS A 49 8.134 10.890 7.280 1.00 33.40 C ATOM 623 CG LYS A 49 9.651 10.838 7.211 1.00 41.40 C ATOM 624 CD LYS A 49 10.176 11.543 5.970 1.00 50.30 C ATOM 625 CE LYS A 49 10.629 12.960 6.284 1.00 32.40 C ATOM 626 NZ LYS A 49 10.661 13.815 5.066 1.00 70.30 N ATOM 0 H LYS A 49 5.903 10.013 7.944 1.00 62.30 H new ATOM 0 HA LYS A 49 8.315 10.575 9.398 1.00 71.40 H new ATOM 0 HB2 LYS A 49 7.726 9.994 6.812 1.00 33.40 H new ATOM 0 HB3 LYS A 49 7.781 11.742 6.698 1.00 33.40 H new ATOM 0 HG2 LYS A 49 10.073 11.304 8.102 1.00 41.40 H new ATOM 0 HG3 LYS A 49 9.981 9.799 7.208 1.00 41.40 H new ATOM 0 HD2 LYS A 49 11.010 10.977 5.554 1.00 50.30 H new ATOM 0 HD3 LYS A 49 9.397 11.569 5.208 1.00 50.30 H new ATOM 0 HE2 LYS A 49 9.957 13.401 7.020 1.00 32.40 H new ATOM 0 HE3 LYS A 49 11.621 12.933 6.735 1.00 32.40 H new ATOM 0 HZ1 LYS A 49 10.975 14.773 5.322 1.00 70.30 H new ATOM 0 HZ2 LYS A 49 11.322 13.408 4.373 1.00 70.30 H new ATOM 0 HZ3 LYS A 49 9.709 13.862 4.650 1.00 70.30 H new ATOM 640 N TYR A 50 6.175 12.968 8.796 1.00 63.00 N ATOM 641 CA TYR A 50 5.842 14.356 9.094 1.00 13.10 C ATOM 642 C TYR A 50 5.320 14.497 10.520 1.00 65.40 C ATOM 643 O TYR A 50 6.008 15.023 11.395 1.00 3.34 O ATOM 644 CB TYR A 50 4.798 14.876 8.103 1.00 11.20 C ATOM 645 CG TYR A 50 5.384 15.309 6.778 1.00 3.44 C ATOM 646 CD1 TYR A 50 6.225 14.468 6.061 1.00 41.20 C ATOM 647 CD2 TYR A 50 5.095 16.558 6.244 1.00 72.10 C ATOM 648 CE1 TYR A 50 6.763 14.860 4.849 1.00 4.15 C ATOM 649 CE2 TYR A 50 5.628 16.957 5.033 1.00 22.40 C ATOM 650 CZ TYR A 50 6.461 16.105 4.340 1.00 62.50 C ATOM 651 OH TYR A 50 6.993 16.498 3.134 1.00 22.10 O ATOM 0 H TYR A 50 5.417 12.434 8.371 1.00 63.00 H new ATOM 0 HA TYR A 50 6.751 14.950 8.999 1.00 13.10 H new ATOM 0 HB2 TYR A 50 4.057 14.096 7.926 1.00 11.20 H new ATOM 0 HB3 TYR A 50 4.272 15.719 8.551 1.00 11.20 H new ATOM 0 HD1 TYR A 50 6.463 13.492 6.457 1.00 41.20 H new ATOM 0 HD2 TYR A 50 4.443 17.229 6.784 1.00 72.10 H new ATOM 0 HE1 TYR A 50 7.416 14.194 4.304 1.00 4.15 H new ATOM 0 HE2 TYR A 50 5.393 17.932 4.632 1.00 22.40 H new ATOM 0 HH TYR A 50 6.681 17.401 2.917 1.00 22.10 H new ATOM 661 N GLU A 51 4.099 14.023 10.747 1.00 51.20 N ATOM 662 CA GLU A 51 3.484 14.096 12.068 1.00 60.50 C ATOM 663 C GLU A 51 2.309 13.130 12.175 1.00 54.50 C ATOM 664 O GLU A 51 1.199 13.437 11.741 1.00 62.00 O ATOM 665 CB GLU A 51 3.015 15.523 12.357 1.00 4.23 C ATOM 666 CG GLU A 51 2.263 16.162 11.201 1.00 70.10 C ATOM 667 CD GLU A 51 1.455 17.371 11.630 1.00 44.30 C ATOM 668 OE1 GLU A 51 0.661 17.246 12.586 1.00 70.10 O ATOM 669 OE2 GLU A 51 1.616 18.442 11.009 1.00 11.40 O ATOM 0 H GLU A 51 3.516 13.585 10.034 1.00 51.20 H new ATOM 0 HA GLU A 51 4.233 13.811 12.807 1.00 60.50 H new ATOM 0 HB2 GLU A 51 2.372 15.514 13.237 1.00 4.23 H new ATOM 0 HB3 GLU A 51 3.881 16.139 12.601 1.00 4.23 H new ATOM 0 HG2 GLU A 51 2.974 16.459 10.430 1.00 70.10 H new ATOM 0 HG3 GLU A 51 1.597 15.424 10.753 1.00 70.10 H new ATOM 676 N ALA A 52 2.560 11.961 12.756 1.00 54.00 N ATOM 677 CA ALA A 52 1.523 10.951 12.920 1.00 4.35 C ATOM 678 C ALA A 52 0.521 11.362 13.993 1.00 43.30 C ATOM 679 O ALA A 52 0.534 12.498 14.465 1.00 71.10 O ATOM 680 CB ALA A 52 2.146 9.606 13.264 1.00 35.30 C ATOM 0 H ALA A 52 3.473 11.691 13.121 1.00 54.00 H new ATOM 0 HA ALA A 52 0.987 10.860 11.975 1.00 4.35 H new ATOM 0 HB1 ALA A 52 1.360 8.861 13.384 1.00 35.30 H new ATOM 0 HB2 ALA A 52 2.817 9.300 12.461 1.00 35.30 H new ATOM 0 HB3 ALA A 52 2.708 9.693 14.194 1.00 35.30 H new ATOM 686 N GLN A 53 -0.346 10.429 14.375 1.00 1.11 N ATOM 687 CA GLN A 53 -1.355 10.695 15.393 1.00 20.30 C ATOM 688 C GLN A 53 -0.819 10.378 16.786 1.00 22.50 C ATOM 689 O GLN A 53 -1.135 11.068 17.755 1.00 22.10 O ATOM 690 CB GLN A 53 -2.615 9.872 15.120 1.00 21.40 C ATOM 691 CG GLN A 53 -3.101 9.963 13.682 1.00 30.50 C ATOM 692 CD GLN A 53 -4.292 10.888 13.528 1.00 32.20 C ATOM 693 OE1 GLN A 53 -4.471 11.824 14.307 1.00 51.00 O ATOM 694 NE2 GLN A 53 -5.115 10.630 12.518 1.00 54.10 N ATOM 0 H GLN A 53 -0.370 9.483 13.995 1.00 1.11 H new ATOM 0 HA GLN A 53 -1.606 11.755 15.352 1.00 20.30 H new ATOM 0 HB2 GLN A 53 -2.417 8.828 15.362 1.00 21.40 H new ATOM 0 HB3 GLN A 53 -3.410 10.208 15.786 1.00 21.40 H new ATOM 0 HG2 GLN A 53 -2.287 10.316 13.049 1.00 30.50 H new ATOM 0 HG3 GLN A 53 -3.371 8.967 13.330 1.00 30.50 H new ATOM 0 HE21 GLN A 53 -4.928 9.843 11.896 1.00 54.10 H new ATOM 0 HE22 GLN A 53 -5.934 11.219 12.364 1.00 54.10 H new ATOM 703 N GLY A 54 -0.007 9.330 16.877 1.00 35.30 N ATOM 704 CA GLY A 54 0.560 8.940 18.155 1.00 25.00 C ATOM 705 C GLY A 54 1.413 7.692 18.055 1.00 33.30 C ATOM 706 O GLY A 54 1.657 7.184 16.960 1.00 70.50 O ATOM 0 H GLY A 54 0.269 8.744 16.089 1.00 35.30 H new ATOM 0 HA2 GLY A 54 1.164 9.759 18.546 1.00 25.00 H new ATOM 0 HA3 GLY A 54 -0.246 8.769 18.869 1.00 25.00 H new ATOM 710 N ASP A 55 1.869 7.195 19.200 1.00 62.30 N ATOM 711 CA ASP A 55 2.701 5.998 19.237 1.00 34.30 C ATOM 712 C ASP A 55 1.960 4.802 18.648 1.00 12.10 C ATOM 713 O ASP A 55 2.440 4.161 17.713 1.00 52.20 O ATOM 714 CB ASP A 55 3.126 5.691 20.674 1.00 20.30 C ATOM 715 CG ASP A 55 4.540 5.151 20.756 1.00 62.00 C ATOM 716 OD1 ASP A 55 4.774 4.024 20.270 1.00 3.51 O ATOM 717 OD2 ASP A 55 5.413 5.854 21.307 1.00 55.20 O ATOM 0 H ASP A 55 1.676 7.603 20.115 1.00 62.30 H new ATOM 0 HA ASP A 55 3.590 6.185 18.634 1.00 34.30 H new ATOM 0 HB2 ASP A 55 3.051 6.598 21.274 1.00 20.30 H new ATOM 0 HB3 ASP A 55 2.437 4.965 21.106 1.00 20.30 H new ATOM 722 N LYS A 56 0.787 4.508 19.200 1.00 75.40 N ATOM 723 CA LYS A 56 -0.021 3.389 18.729 1.00 31.40 C ATOM 724 C LYS A 56 -0.392 3.566 17.260 1.00 14.40 C ATOM 725 O LYS A 56 -0.547 2.589 16.527 1.00 14.10 O ATOM 726 CB LYS A 56 -1.288 3.256 19.575 1.00 22.00 C ATOM 727 CG LYS A 56 -1.785 1.826 19.705 1.00 73.40 C ATOM 728 CD LYS A 56 -3.217 1.778 20.214 1.00 10.00 C ATOM 729 CE LYS A 56 -3.430 0.614 21.168 1.00 23.00 C ATOM 730 NZ LYS A 56 -2.467 0.641 22.303 1.00 45.10 N ATOM 0 H LYS A 56 0.375 5.029 19.974 1.00 75.40 H new ATOM 0 HA LYS A 56 0.571 2.479 18.828 1.00 31.40 H new ATOM 0 HB2 LYS A 56 -1.094 3.656 20.570 1.00 22.00 H new ATOM 0 HB3 LYS A 56 -2.075 3.867 19.134 1.00 22.00 H new ATOM 0 HG2 LYS A 56 -1.725 1.329 18.737 1.00 73.40 H new ATOM 0 HG3 LYS A 56 -1.137 1.275 20.386 1.00 73.40 H new ATOM 0 HD2 LYS A 56 -3.456 2.713 20.720 1.00 10.00 H new ATOM 0 HD3 LYS A 56 -3.901 1.688 19.370 1.00 10.00 H new ATOM 0 HE2 LYS A 56 -4.448 0.644 21.556 1.00 23.00 H new ATOM 0 HE3 LYS A 56 -3.324 -0.325 20.624 1.00 23.00 H new ATOM 0 HZ1 LYS A 56 -2.913 0.226 23.146 1.00 45.10 H new ATOM 0 HZ2 LYS A 56 -1.620 0.091 22.053 1.00 45.10 H new ATOM 0 HZ3 LYS A 56 -2.194 1.624 22.504 1.00 45.10 H new ATOM 744 N ALA A 57 -0.533 4.818 16.837 1.00 21.10 N ATOM 745 CA ALA A 57 -0.886 5.122 15.456 1.00 50.20 C ATOM 746 C ALA A 57 0.299 4.895 14.524 1.00 54.30 C ATOM 747 O ALA A 57 0.159 4.286 13.463 1.00 54.50 O ATOM 748 CB ALA A 57 -1.383 6.555 15.342 1.00 41.10 C ATOM 0 H ALA A 57 -0.408 5.638 17.431 1.00 21.10 H new ATOM 0 HA ALA A 57 -1.686 4.446 15.154 1.00 50.20 H new ATOM 0 HB1 ALA A 57 -1.643 6.769 14.305 1.00 41.10 H new ATOM 0 HB2 ALA A 57 -2.263 6.686 15.971 1.00 41.10 H new ATOM 0 HB3 ALA A 57 -0.599 7.239 15.668 1.00 41.10 H new ATOM 754 N LYS A 58 1.465 5.390 14.926 1.00 14.10 N ATOM 755 CA LYS A 58 2.675 5.241 14.126 1.00 75.20 C ATOM 756 C LYS A 58 3.009 3.768 13.913 1.00 65.30 C ATOM 757 O LYS A 58 3.201 3.323 12.781 1.00 61.50 O ATOM 758 CB LYS A 58 3.850 5.949 14.804 1.00 10.30 C ATOM 759 CG LYS A 58 3.719 7.463 14.819 1.00 30.40 C ATOM 760 CD LYS A 58 4.628 8.090 15.863 1.00 24.20 C ATOM 761 CE LYS A 58 4.795 9.584 15.633 1.00 51.30 C ATOM 762 NZ LYS A 58 6.167 10.049 15.975 1.00 72.40 N ATOM 0 H LYS A 58 1.597 5.898 15.801 1.00 14.10 H new ATOM 0 HA LYS A 58 2.496 5.699 13.153 1.00 75.20 H new ATOM 0 HB2 LYS A 58 3.938 5.590 15.829 1.00 10.30 H new ATOM 0 HB3 LYS A 58 4.773 5.677 14.291 1.00 10.30 H new ATOM 0 HG2 LYS A 58 3.966 7.860 13.834 1.00 30.40 H new ATOM 0 HG3 LYS A 58 2.684 7.738 15.024 1.00 30.40 H new ATOM 0 HD2 LYS A 58 4.215 7.918 16.857 1.00 24.20 H new ATOM 0 HD3 LYS A 58 5.604 7.605 15.835 1.00 24.20 H new ATOM 0 HE2 LYS A 58 4.583 9.816 14.589 1.00 51.30 H new ATOM 0 HE3 LYS A 58 4.067 10.128 16.235 1.00 51.30 H new ATOM 0 HZ1 LYS A 58 6.239 11.072 15.804 1.00 72.40 H new ATOM 0 HZ2 LYS A 58 6.361 9.851 16.977 1.00 72.40 H new ATOM 0 HZ3 LYS A 58 6.861 9.549 15.383 1.00 72.40 H new ATOM 776 N GLN A 59 3.077 3.017 15.007 1.00 13.10 N ATOM 777 CA GLN A 59 3.387 1.594 14.939 1.00 22.30 C ATOM 778 C GLN A 59 2.359 0.853 14.090 1.00 25.00 C ATOM 779 O GLN A 59 2.684 -0.123 13.414 1.00 62.40 O ATOM 780 CB GLN A 59 3.434 0.992 16.345 1.00 71.30 C ATOM 781 CG GLN A 59 2.277 1.426 17.231 1.00 1.31 C ATOM 782 CD GLN A 59 1.455 0.255 17.734 1.00 24.40 C ATOM 783 OE1 GLN A 59 0.866 -0.495 16.809 1.00 71.40 O flip ATOM 784 NE2 GLN A 59 1.350 0.027 18.939 1.00 74.30 N flip ATOM 0 H GLN A 59 2.922 3.370 15.951 1.00 13.10 H new ATOM 0 HA GLN A 59 4.365 1.483 14.472 1.00 22.30 H new ATOM 0 HB2 GLN A 59 3.433 -0.095 16.266 1.00 71.30 H new ATOM 0 HB3 GLN A 59 4.372 1.276 16.822 1.00 71.30 H new ATOM 0 HG2 GLN A 59 2.666 1.984 18.083 1.00 1.31 H new ATOM 0 HG3 GLN A 59 1.632 2.105 16.673 1.00 1.31 H new ATOM 0 HE21 GLN A 59 1.820 0.629 19.615 1.00 74.30 H new ATOM 0 HE22 GLN A 59 0.793 -0.764 19.262 1.00 74.30 H new ATOM 793 N SER A 60 1.116 1.323 14.131 1.00 2.04 N ATOM 794 CA SER A 60 0.040 0.706 13.365 1.00 13.30 C ATOM 795 C SER A 60 0.306 0.815 11.867 1.00 41.40 C ATOM 796 O SER A 60 0.133 -0.150 11.123 1.00 53.40 O ATOM 797 CB SER A 60 -1.299 1.363 13.707 1.00 10.50 C ATOM 798 OG SER A 60 -1.961 0.662 14.745 1.00 44.00 O ATOM 0 H SER A 60 0.830 2.129 14.687 1.00 2.04 H new ATOM 0 HA SER A 60 -0.003 -0.350 13.631 1.00 13.30 H new ATOM 0 HB2 SER A 60 -1.133 2.397 14.010 1.00 10.50 H new ATOM 0 HB3 SER A 60 -1.932 1.389 12.820 1.00 10.50 H new ATOM 0 HG SER A 60 -1.705 1.042 15.611 1.00 44.00 H new ATOM 804 N ILE A 61 0.729 1.998 11.431 1.00 5.10 N ATOM 805 CA ILE A 61 1.019 2.233 10.022 1.00 15.50 C ATOM 806 C ILE A 61 2.288 1.501 9.595 1.00 71.30 C ATOM 807 O ILE A 61 2.396 1.038 8.459 1.00 2.55 O ATOM 808 CB ILE A 61 1.179 3.736 9.723 1.00 52.20 C ATOM 809 CG1 ILE A 61 -0.021 4.516 10.261 1.00 31.10 C ATOM 810 CG2 ILE A 61 1.339 3.967 8.227 1.00 14.20 C ATOM 811 CD1 ILE A 61 0.206 6.011 10.319 1.00 10.20 C ATOM 0 H ILE A 61 0.878 2.808 12.033 1.00 5.10 H new ATOM 0 HA ILE A 61 0.171 1.848 9.455 1.00 15.50 H new ATOM 0 HB ILE A 61 2.078 4.096 10.224 1.00 52.20 H new ATOM 0 HG12 ILE A 61 -0.888 4.313 9.632 1.00 31.10 H new ATOM 0 HG13 ILE A 61 -0.261 4.154 11.261 1.00 31.10 H new ATOM 0 HG21 ILE A 61 1.451 5.034 8.033 1.00 14.20 H new ATOM 0 HG22 ILE A 61 2.223 3.439 7.870 1.00 14.20 H new ATOM 0 HG23 ILE A 61 0.458 3.594 7.705 1.00 14.20 H new ATOM 0 HD11 ILE A 61 -0.686 6.500 10.710 1.00 10.20 H new ATOM 0 HD12 ILE A 61 1.053 6.225 10.971 1.00 10.20 H new ATOM 0 HD13 ILE A 61 0.416 6.386 9.317 1.00 10.20 H new ATOM 823 N ARG A 62 3.244 1.401 10.512 1.00 10.10 N ATOM 824 CA ARG A 62 4.505 0.724 10.229 1.00 15.30 C ATOM 825 C ARG A 62 4.267 -0.733 9.846 1.00 3.44 C ATOM 826 O ARG A 62 4.855 -1.238 8.890 1.00 34.10 O ATOM 827 CB ARG A 62 5.432 0.800 11.444 1.00 21.10 C ATOM 828 CG ARG A 62 6.319 2.034 11.458 1.00 2.22 C ATOM 829 CD ARG A 62 6.776 2.379 12.866 1.00 63.40 C ATOM 830 NE ARG A 62 8.201 2.117 13.059 1.00 35.20 N ATOM 831 CZ ARG A 62 8.707 0.909 13.301 1.00 31.20 C ATOM 832 NH1 ARG A 62 7.909 -0.149 13.381 1.00 73.30 N ATOM 833 NH2 ARG A 62 10.014 0.760 13.464 1.00 1.13 N ATOM 0 H ARG A 62 3.170 1.779 11.456 1.00 10.10 H new ATOM 0 HA ARG A 62 4.979 1.229 9.387 1.00 15.30 H new ATOM 0 HB2 ARG A 62 4.829 0.786 12.352 1.00 21.10 H new ATOM 0 HB3 ARG A 62 6.061 -0.090 11.466 1.00 21.10 H new ATOM 0 HG2 ARG A 62 7.189 1.864 10.824 1.00 2.22 H new ATOM 0 HG3 ARG A 62 5.775 2.878 11.034 1.00 2.22 H new ATOM 0 HD2 ARG A 62 6.570 3.430 13.066 1.00 63.40 H new ATOM 0 HD3 ARG A 62 6.200 1.799 13.587 1.00 63.40 H new ATOM 0 HE ARG A 62 8.846 2.906 13.005 1.00 35.20 H new ATOM 0 HH11 ARG A 62 6.903 -0.039 13.257 1.00 73.30 H new ATOM 0 HH12 ARG A 62 8.302 -1.072 13.567 1.00 73.30 H new ATOM 0 HH21 ARG A 62 10.631 1.570 13.404 1.00 1.13 H new ATOM 0 HH22 ARG A 62 10.403 -0.165 13.649 1.00 1.13 H new ATOM 847 N ALA A 63 3.400 -1.402 10.599 1.00 35.10 N ATOM 848 CA ALA A 63 3.083 -2.801 10.339 1.00 53.40 C ATOM 849 C ALA A 63 2.288 -2.951 9.046 1.00 73.50 C ATOM 850 O ALA A 63 2.429 -3.943 8.331 1.00 1.41 O ATOM 851 CB ALA A 63 2.309 -3.393 11.507 1.00 61.20 C ATOM 0 H ALA A 63 2.905 -0.998 11.394 1.00 35.10 H new ATOM 0 HA ALA A 63 4.020 -3.346 10.225 1.00 53.40 H new ATOM 0 HB1 ALA A 63 2.079 -4.438 11.299 1.00 61.20 H new ATOM 0 HB2 ALA A 63 2.911 -3.327 12.413 1.00 61.20 H new ATOM 0 HB3 ALA A 63 1.381 -2.838 11.647 1.00 61.20 H new ATOM 857 N LYS A 64 1.453 -1.960 8.752 1.00 40.50 N ATOM 858 CA LYS A 64 0.636 -1.982 7.544 1.00 33.20 C ATOM 859 C LYS A 64 1.473 -1.645 6.314 1.00 51.50 C ATOM 860 O LYS A 64 1.332 -2.271 5.264 1.00 30.40 O ATOM 861 CB LYS A 64 -0.526 -0.995 7.671 1.00 71.00 C ATOM 862 CG LYS A 64 -1.572 -1.416 8.690 1.00 52.40 C ATOM 863 CD LYS A 64 -2.970 -1.007 8.255 1.00 51.20 C ATOM 864 CE LYS A 64 -3.144 0.503 8.291 1.00 13.30 C ATOM 865 NZ LYS A 64 -4.563 0.903 8.084 1.00 70.40 N ATOM 0 H LYS A 64 1.324 -1.132 9.333 1.00 40.50 H new ATOM 0 HA LYS A 64 0.237 -2.989 7.424 1.00 33.20 H new ATOM 0 HB2 LYS A 64 -0.133 -0.017 7.949 1.00 71.00 H new ATOM 0 HB3 LYS A 64 -1.004 -0.882 6.698 1.00 71.00 H new ATOM 0 HG2 LYS A 64 -1.534 -2.497 8.827 1.00 52.40 H new ATOM 0 HG3 LYS A 64 -1.343 -0.964 9.655 1.00 52.40 H new ATOM 0 HD2 LYS A 64 -3.160 -1.372 7.246 1.00 51.20 H new ATOM 0 HD3 LYS A 64 -3.707 -1.475 8.907 1.00 51.20 H new ATOM 0 HE2 LYS A 64 -2.795 0.886 9.250 1.00 13.30 H new ATOM 0 HE3 LYS A 64 -2.522 0.959 7.520 1.00 13.30 H new ATOM 0 HZ1 LYS A 64 -4.640 1.940 8.115 1.00 70.40 H new ATOM 0 HZ2 LYS A 64 -4.889 0.560 7.158 1.00 70.40 H new ATOM 0 HZ3 LYS A 64 -5.153 0.489 8.834 1.00 70.40 H new ATOM 879 N CYS A 65 2.344 -0.651 6.453 1.00 70.00 N ATOM 880 CA CYS A 65 3.205 -0.230 5.354 1.00 74.10 C ATOM 881 C CYS A 65 4.114 -1.371 4.907 1.00 5.23 C ATOM 882 O CYS A 65 4.479 -1.464 3.735 1.00 50.10 O ATOM 883 CB CYS A 65 4.048 0.976 5.771 1.00 61.30 C ATOM 884 SG CYS A 65 3.276 2.573 5.420 1.00 53.30 S ATOM 0 H CYS A 65 2.472 -0.122 7.316 1.00 70.00 H new ATOM 0 HA CYS A 65 2.569 0.053 4.516 1.00 74.10 H new ATOM 0 HB2 CYS A 65 4.253 0.911 6.840 1.00 61.30 H new ATOM 0 HB3 CYS A 65 5.009 0.929 5.259 1.00 61.30 H new ATOM 0 HG CYS A 65 2.052 2.569 5.858 1.00 53.30 H new ATOM 890 N THR A 66 4.476 -2.236 5.849 1.00 4.23 N ATOM 891 CA THR A 66 5.343 -3.370 5.551 1.00 3.43 C ATOM 892 C THR A 66 4.543 -4.525 4.957 1.00 30.20 C ATOM 893 O THR A 66 5.054 -5.292 4.141 1.00 34.10 O ATOM 894 CB THR A 66 6.066 -3.833 6.817 1.00 40.50 C ATOM 895 OG1 THR A 66 6.931 -4.917 6.533 1.00 52.30 O ATOM 896 CG2 THR A 66 5.123 -4.274 7.917 1.00 41.20 C ATOM 0 H THR A 66 4.183 -2.173 6.824 1.00 4.23 H new ATOM 0 HA THR A 66 6.081 -3.048 4.817 1.00 3.43 H new ATOM 0 HB THR A 66 6.624 -2.964 7.165 1.00 40.50 H new ATOM 0 HG1 THR A 66 7.385 -5.197 7.355 1.00 52.30 H new ATOM 0 HG21 THR A 66 5.700 -4.590 8.786 1.00 41.20 H new ATOM 0 HG22 THR A 66 4.474 -3.443 8.195 1.00 41.20 H new ATOM 0 HG23 THR A 66 4.515 -5.107 7.563 1.00 41.20 H new ATOM 904 N GLU A 67 3.286 -4.642 5.372 1.00 35.20 N ATOM 905 CA GLU A 67 2.415 -5.704 4.881 1.00 44.20 C ATOM 906 C GLU A 67 2.082 -5.496 3.407 1.00 52.00 C ATOM 907 O GLU A 67 2.175 -6.423 2.603 1.00 73.20 O ATOM 908 CB GLU A 67 1.127 -5.757 5.704 1.00 4.44 C ATOM 909 CG GLU A 67 0.177 -6.864 5.277 1.00 11.20 C ATOM 910 CD GLU A 67 -0.900 -7.138 6.308 1.00 61.10 C ATOM 911 OE1 GLU A 67 -0.601 -7.048 7.517 1.00 3.12 O ATOM 912 OE2 GLU A 67 -2.043 -7.442 5.906 1.00 20.40 O ATOM 0 H GLU A 67 2.848 -4.015 6.047 1.00 35.20 H new ATOM 0 HA GLU A 67 2.944 -6.651 4.986 1.00 44.20 H new ATOM 0 HB2 GLU A 67 1.383 -5.894 6.755 1.00 4.44 H new ATOM 0 HB3 GLU A 67 0.614 -4.798 5.623 1.00 4.44 H new ATOM 0 HG2 GLU A 67 -0.291 -6.591 4.331 1.00 11.20 H new ATOM 0 HG3 GLU A 67 0.745 -7.777 5.099 1.00 11.20 H new ATOM 919 N TYR A 68 1.694 -4.273 3.061 1.00 10.10 N ATOM 920 CA TYR A 68 1.348 -3.943 1.683 1.00 11.30 C ATOM 921 C TYR A 68 2.586 -3.956 0.792 1.00 63.40 C ATOM 922 O TYR A 68 2.523 -4.361 -0.368 1.00 70.10 O ATOM 923 CB TYR A 68 0.674 -2.571 1.619 1.00 75.10 C ATOM 924 CG TYR A 68 -0.586 -2.475 2.450 1.00 55.20 C ATOM 925 CD1 TYR A 68 -1.563 -3.460 2.381 1.00 24.20 C ATOM 926 CD2 TYR A 68 -0.797 -1.399 3.304 1.00 51.40 C ATOM 927 CE1 TYR A 68 -2.716 -3.375 3.139 1.00 72.20 C ATOM 928 CE2 TYR A 68 -1.947 -1.308 4.065 1.00 63.20 C ATOM 929 CZ TYR A 68 -2.903 -2.298 3.979 1.00 20.30 C ATOM 930 OH TYR A 68 -4.049 -2.211 4.735 1.00 73.50 O ATOM 0 H TYR A 68 1.611 -3.495 3.715 1.00 10.10 H new ATOM 0 HA TYR A 68 0.653 -4.699 1.319 1.00 11.30 H new ATOM 0 HB2 TYR A 68 1.380 -1.813 1.957 1.00 75.10 H new ATOM 0 HB3 TYR A 68 0.433 -2.342 0.581 1.00 75.10 H new ATOM 0 HD1 TYR A 68 -1.420 -4.306 1.725 1.00 24.20 H new ATOM 0 HD2 TYR A 68 -0.050 -0.622 3.374 1.00 51.40 H new ATOM 0 HE1 TYR A 68 -3.467 -4.149 3.073 1.00 72.20 H new ATOM 0 HE2 TYR A 68 -2.096 -0.465 4.724 1.00 63.20 H new ATOM 0 HH TYR A 68 -4.371 -3.112 4.946 1.00 73.50 H new ATOM 940 N LEU A 69 3.710 -3.510 1.344 1.00 75.40 N ATOM 941 CA LEU A 69 4.963 -3.471 0.599 1.00 4.24 C ATOM 942 C LEU A 69 5.368 -4.868 0.140 1.00 60.10 C ATOM 943 O LEU A 69 5.897 -5.043 -0.957 1.00 1.31 O ATOM 944 CB LEU A 69 6.073 -2.862 1.459 1.00 63.30 C ATOM 945 CG LEU A 69 6.171 -1.337 1.404 1.00 34.30 C ATOM 946 CD1 LEU A 69 7.218 -0.835 2.387 1.00 62.10 C ATOM 947 CD2 LEU A 69 6.499 -0.875 -0.008 1.00 63.20 C ATOM 0 H LEU A 69 3.779 -3.171 2.304 1.00 75.40 H new ATOM 0 HA LEU A 69 4.813 -2.848 -0.283 1.00 4.24 H new ATOM 0 HB2 LEU A 69 5.916 -3.164 2.495 1.00 63.30 H new ATOM 0 HB3 LEU A 69 7.028 -3.284 1.145 1.00 63.30 H new ATOM 0 HG LEU A 69 5.205 -0.919 1.687 1.00 34.30 H new ATOM 0 HD11 LEU A 69 7.275 0.252 2.335 1.00 62.10 H new ATOM 0 HD12 LEU A 69 6.942 -1.136 3.398 1.00 62.10 H new ATOM 0 HD13 LEU A 69 8.189 -1.261 2.134 1.00 62.10 H new ATOM 0 HD21 LEU A 69 6.565 0.213 -0.029 1.00 63.20 H new ATOM 0 HD22 LEU A 69 7.452 -1.302 -0.318 1.00 63.20 H new ATOM 0 HD23 LEU A 69 5.715 -1.204 -0.690 1.00 63.20 H new ATOM 959 N ASP A 70 5.115 -5.860 0.988 1.00 44.50 N ATOM 960 CA ASP A 70 5.452 -7.242 0.670 1.00 42.50 C ATOM 961 C ASP A 70 4.558 -7.778 -0.444 1.00 5.30 C ATOM 962 O ASP A 70 5.028 -8.451 -1.361 1.00 73.10 O ATOM 963 CB ASP A 70 5.319 -8.121 1.914 1.00 74.40 C ATOM 964 CG ASP A 70 5.870 -9.517 1.698 1.00 74.20 C ATOM 965 OD1 ASP A 70 7.109 -9.671 1.686 1.00 44.00 O ATOM 966 OD2 ASP A 70 5.062 -10.450 1.542 1.00 45.40 O ATOM 0 H ASP A 70 4.678 -5.732 1.901 1.00 44.50 H new ATOM 0 HA ASP A 70 6.486 -7.267 0.325 1.00 42.50 H new ATOM 0 HB2 ASP A 70 5.844 -7.651 2.745 1.00 74.40 H new ATOM 0 HB3 ASP A 70 4.269 -8.188 2.197 1.00 74.40 H new ATOM 971 N ARG A 71 3.267 -7.475 -0.356 1.00 3.10 N ATOM 972 CA ARG A 71 2.307 -7.926 -1.357 1.00 33.00 C ATOM 973 C ARG A 71 2.560 -7.248 -2.699 1.00 32.20 C ATOM 974 O ARG A 71 2.676 -7.912 -3.729 1.00 74.20 O ATOM 975 CB ARG A 71 0.879 -7.639 -0.889 1.00 43.40 C ATOM 976 CG ARG A 71 -0.182 -8.384 -1.682 1.00 51.10 C ATOM 977 CD ARG A 71 -1.377 -8.743 -0.813 1.00 50.40 C ATOM 978 NE ARG A 71 -2.526 -9.168 -1.610 1.00 64.20 N ATOM 979 CZ ARG A 71 -3.677 -9.584 -1.088 1.00 71.10 C ATOM 980 NH1 ARG A 71 -3.838 -9.633 0.228 1.00 72.10 N ATOM 981 NH2 ARG A 71 -4.671 -9.953 -1.885 1.00 54.50 N ATOM 0 H ARG A 71 2.862 -6.920 0.397 1.00 3.10 H new ATOM 0 HA ARG A 71 2.432 -9.001 -1.485 1.00 33.00 H new ATOM 0 HB2 ARG A 71 0.790 -7.908 0.164 1.00 43.40 H new ATOM 0 HB3 ARG A 71 0.690 -6.568 -0.962 1.00 43.40 H new ATOM 0 HG2 ARG A 71 -0.511 -7.768 -2.519 1.00 51.10 H new ATOM 0 HG3 ARG A 71 0.248 -9.292 -2.104 1.00 51.10 H new ATOM 0 HD2 ARG A 71 -1.098 -9.541 -0.125 1.00 50.40 H new ATOM 0 HD3 ARG A 71 -1.656 -7.882 -0.206 1.00 50.40 H new ATOM 0 HE ARG A 71 -2.441 -9.144 -2.626 1.00 64.20 H new ATOM 0 HH11 ARG A 71 -3.077 -9.351 0.846 1.00 72.10 H new ATOM 0 HH12 ARG A 71 -4.723 -9.953 0.622 1.00 72.10 H new ATOM 0 HH21 ARG A 71 -4.553 -9.918 -2.898 1.00 54.50 H new ATOM 0 HH22 ARG A 71 -5.554 -10.272 -1.485 1.00 54.50 H new ATOM 995 N ALA A 72 2.645 -5.922 -2.680 1.00 72.10 N ATOM 996 CA ALA A 72 2.885 -5.154 -3.895 1.00 25.50 C ATOM 997 C ALA A 72 4.208 -5.549 -4.542 1.00 22.50 C ATOM 998 O ALA A 72 4.298 -5.683 -5.763 1.00 32.40 O ATOM 999 CB ALA A 72 2.870 -3.664 -3.589 1.00 45.10 C ATOM 0 H ALA A 72 2.551 -5.357 -1.836 1.00 72.10 H new ATOM 0 HA ALA A 72 2.084 -5.377 -4.600 1.00 25.50 H new ATOM 0 HB1 ALA A 72 3.051 -3.102 -4.506 1.00 45.10 H new ATOM 0 HB2 ALA A 72 1.899 -3.387 -3.179 1.00 45.10 H new ATOM 0 HB3 ALA A 72 3.650 -3.434 -2.863 1.00 45.10 H new ATOM 1005 N GLU A 73 5.233 -5.735 -3.716 1.00 61.00 N ATOM 1006 CA GLU A 73 6.552 -6.115 -4.209 1.00 52.10 C ATOM 1007 C GLU A 73 6.493 -7.449 -4.947 1.00 42.40 C ATOM 1008 O GLU A 73 7.217 -7.664 -5.919 1.00 71.00 O ATOM 1009 CB GLU A 73 7.546 -6.204 -3.049 1.00 61.10 C ATOM 1010 CG GLU A 73 8.205 -4.878 -2.709 1.00 3.10 C ATOM 1011 CD GLU A 73 9.632 -4.789 -3.214 1.00 34.40 C ATOM 1012 OE1 GLU A 73 9.990 -5.568 -4.123 1.00 64.00 O ATOM 1013 OE2 GLU A 73 10.392 -3.942 -2.700 1.00 64.30 O ATOM 0 H GLU A 73 5.176 -5.629 -2.703 1.00 61.00 H new ATOM 0 HA GLU A 73 6.887 -5.348 -4.908 1.00 52.10 H new ATOM 0 HB2 GLU A 73 7.029 -6.580 -2.166 1.00 61.10 H new ATOM 0 HB3 GLU A 73 8.319 -6.931 -3.299 1.00 61.10 H new ATOM 0 HG2 GLU A 73 7.620 -4.065 -3.139 1.00 3.10 H new ATOM 0 HG3 GLU A 73 8.197 -4.739 -1.628 1.00 3.10 H new ATOM 1020 N LYS A 74 5.626 -8.341 -4.479 1.00 41.10 N ATOM 1021 CA LYS A 74 5.473 -9.653 -5.095 1.00 61.10 C ATOM 1022 C LYS A 74 4.761 -9.544 -6.439 1.00 31.50 C ATOM 1023 O LYS A 74 5.147 -10.190 -7.412 1.00 33.40 O ATOM 1024 CB LYS A 74 4.694 -10.580 -4.167 1.00 53.20 C ATOM 1025 CG LYS A 74 5.577 -11.360 -3.206 1.00 14.40 C ATOM 1026 CD LYS A 74 4.884 -11.590 -1.873 1.00 74.40 C ATOM 1027 CE LYS A 74 5.882 -11.920 -0.775 1.00 30.40 C ATOM 1028 NZ LYS A 74 5.267 -12.740 0.309 1.00 3.41 N ATOM 0 H LYS A 74 5.019 -8.179 -3.675 1.00 41.10 H new ATOM 0 HA LYS A 74 6.467 -10.068 -5.265 1.00 61.10 H new ATOM 0 HB2 LYS A 74 3.979 -9.990 -3.593 1.00 53.20 H new ATOM 0 HB3 LYS A 74 4.117 -11.282 -4.769 1.00 53.20 H new ATOM 0 HG2 LYS A 74 5.841 -12.320 -3.650 1.00 14.40 H new ATOM 0 HG3 LYS A 74 6.508 -10.817 -3.044 1.00 14.40 H new ATOM 0 HD2 LYS A 74 4.319 -10.699 -1.597 1.00 74.40 H new ATOM 0 HD3 LYS A 74 4.167 -12.405 -1.971 1.00 74.40 H new ATOM 0 HE2 LYS A 74 6.727 -12.459 -1.203 1.00 30.40 H new ATOM 0 HE3 LYS A 74 6.275 -10.995 -0.352 1.00 30.40 H new ATOM 0 HZ1 LYS A 74 5.923 -13.498 0.585 1.00 3.41 H new ATOM 0 HZ2 LYS A 74 5.070 -12.136 1.132 1.00 3.41 H new ATOM 0 HZ3 LYS A 74 4.379 -13.158 -0.034 1.00 3.41 H new ATOM 1042 N LEU A 75 3.720 -8.719 -6.487 1.00 23.20 N ATOM 1043 CA LEU A 75 2.955 -8.524 -7.713 1.00 3.32 C ATOM 1044 C LEU A 75 3.847 -8.003 -8.834 1.00 2.12 C ATOM 1045 O LEU A 75 3.876 -8.564 -9.929 1.00 64.10 O ATOM 1046 CB LEU A 75 1.800 -7.550 -7.469 1.00 42.40 C ATOM 1047 CG LEU A 75 0.492 -8.198 -7.009 1.00 2.13 C ATOM 1048 CD1 LEU A 75 0.727 -9.062 -5.781 1.00 61.40 C ATOM 1049 CD2 LEU A 75 -0.556 -7.133 -6.722 1.00 33.40 C ATOM 0 H LEU A 75 3.387 -8.175 -5.691 1.00 23.20 H new ATOM 0 HA LEU A 75 2.549 -9.489 -8.016 1.00 3.32 H new ATOM 0 HB2 LEU A 75 2.111 -6.823 -6.719 1.00 42.40 H new ATOM 0 HB3 LEU A 75 1.610 -6.998 -8.389 1.00 42.40 H new ATOM 0 HG LEU A 75 0.123 -8.837 -7.811 1.00 2.13 H new ATOM 0 HD11 LEU A 75 -0.214 -9.514 -5.469 1.00 61.40 H new ATOM 0 HD12 LEU A 75 1.445 -9.847 -6.020 1.00 61.40 H new ATOM 0 HD13 LEU A 75 1.119 -8.446 -4.972 1.00 61.40 H new ATOM 0 HD21 LEU A 75 -1.480 -7.610 -6.396 1.00 33.40 H new ATOM 0 HD22 LEU A 75 -0.194 -6.469 -5.937 1.00 33.40 H new ATOM 0 HD23 LEU A 75 -0.745 -6.556 -7.627 1.00 33.40 H new ATOM 1061 N LYS A 76 4.576 -6.929 -8.552 1.00 53.30 N ATOM 1062 CA LYS A 76 5.472 -6.334 -9.537 1.00 72.30 C ATOM 1063 C LYS A 76 6.578 -7.310 -9.924 1.00 60.10 C ATOM 1064 O LYS A 76 7.108 -7.255 -11.030 1.00 64.30 O ATOM 1065 CB LYS A 76 6.083 -5.044 -8.987 1.00 31.30 C ATOM 1066 CG LYS A 76 6.880 -5.245 -7.709 1.00 73.10 C ATOM 1067 CD LYS A 76 7.147 -3.924 -7.006 1.00 43.30 C ATOM 1068 CE LYS A 76 8.539 -3.889 -6.396 1.00 41.00 C ATOM 1069 NZ LYS A 76 8.845 -2.567 -5.783 1.00 34.50 N ATOM 0 H LYS A 76 4.564 -6.453 -7.650 1.00 53.30 H new ATOM 0 HA LYS A 76 4.890 -6.100 -10.428 1.00 72.30 H new ATOM 0 HB2 LYS A 76 6.733 -4.607 -9.746 1.00 31.30 H new ATOM 0 HB3 LYS A 76 5.285 -4.326 -8.799 1.00 31.30 H new ATOM 0 HG2 LYS A 76 6.335 -5.911 -7.040 1.00 73.10 H new ATOM 0 HG3 LYS A 76 7.827 -5.732 -7.942 1.00 73.10 H new ATOM 0 HD2 LYS A 76 7.039 -3.104 -7.716 1.00 43.30 H new ATOM 0 HD3 LYS A 76 6.402 -3.769 -6.225 1.00 43.30 H new ATOM 0 HE2 LYS A 76 8.623 -4.668 -5.638 1.00 41.00 H new ATOM 0 HE3 LYS A 76 9.278 -4.112 -7.166 1.00 41.00 H new ATOM 0 HZ1 LYS A 76 9.803 -2.585 -5.379 1.00 34.50 H new ATOM 0 HZ2 LYS A 76 8.790 -1.826 -6.511 1.00 34.50 H new ATOM 0 HZ3 LYS A 76 8.156 -2.365 -5.031 1.00 34.50 H new ATOM 1083 N GLU A 77 6.922 -8.204 -9.001 1.00 60.20 N ATOM 1084 CA GLU A 77 7.966 -9.193 -9.243 1.00 51.00 C ATOM 1085 C GLU A 77 7.641 -10.040 -10.460 1.00 62.40 C ATOM 1086 O GLU A 77 8.425 -10.110 -11.410 1.00 11.40 O ATOM 1087 CB GLU A 77 8.143 -10.080 -8.016 1.00 42.20 C ATOM 1088 CG GLU A 77 9.475 -10.820 -7.984 1.00 24.20 C ATOM 1089 CD GLU A 77 10.066 -10.890 -6.589 1.00 21.00 C ATOM 1090 OE1 GLU A 77 9.803 -9.974 -5.785 1.00 71.00 O ATOM 1091 OE2 GLU A 77 10.793 -11.860 -6.302 1.00 30.50 O ATOM 0 H GLU A 77 6.492 -8.263 -8.078 1.00 60.20 H new ATOM 0 HA GLU A 77 8.899 -8.664 -9.437 1.00 51.00 H new ATOM 0 HB2 GLU A 77 8.056 -9.467 -7.119 1.00 42.20 H new ATOM 0 HB3 GLU A 77 7.332 -10.808 -7.984 1.00 42.20 H new ATOM 0 HG2 GLU A 77 9.335 -11.831 -8.367 1.00 24.20 H new ATOM 0 HG3 GLU A 77 10.180 -10.322 -8.649 1.00 24.20 H new ATOM 1098 N TYR A 78 6.481 -10.690 -10.440 1.00 54.20 N ATOM 1099 CA TYR A 78 6.059 -11.540 -11.540 1.00 13.20 C ATOM 1100 C TYR A 78 5.566 -10.700 -12.720 1.00 24.10 C ATOM 1101 O TYR A 78 5.804 -11.030 -13.880 1.00 11.20 O ATOM 1102 CB TYR A 78 4.966 -12.510 -11.090 1.00 41.50 C ATOM 1103 CG TYR A 78 3.572 -11.920 -11.050 1.00 4.53 C ATOM 1104 CD1 TYR A 78 2.838 -11.760 -12.220 1.00 42.20 C ATOM 1105 CD2 TYR A 78 2.991 -11.530 -9.858 1.00 31.10 C ATOM 1106 CE1 TYR A 78 1.566 -11.220 -12.200 1.00 50.40 C ATOM 1107 CE2 TYR A 78 1.717 -10.990 -9.825 1.00 41.20 C ATOM 1108 CZ TYR A 78 1.010 -10.840 -10.990 1.00 2.11 C ATOM 1109 OH TYR A 78 -0.257 -10.300 -10.970 1.00 65.20 O ATOM 0 H TYR A 78 5.816 -10.641 -9.668 1.00 54.20 H new ATOM 0 HA TYR A 78 6.924 -12.119 -11.865 1.00 13.20 H new ATOM 0 HB2 TYR A 78 4.963 -13.369 -11.761 1.00 41.50 H new ATOM 0 HB3 TYR A 78 5.217 -12.883 -10.097 1.00 41.50 H new ATOM 0 HD1 TYR A 78 3.270 -12.063 -13.162 1.00 42.20 H new ATOM 0 HD2 TYR A 78 3.541 -11.649 -8.936 1.00 31.10 H new ATOM 0 HE1 TYR A 78 1.011 -11.096 -13.118 1.00 50.40 H new ATOM 0 HE2 TYR A 78 1.281 -10.688 -8.884 1.00 41.20 H new ATOM 0 HH TYR A 78 -0.818 -10.806 -10.346 1.00 65.20 H new ATOM 1119 N LEU A 79 4.877 -9.608 -12.410 1.00 73.30 N ATOM 1120 CA LEU A 79 4.349 -8.717 -13.430 1.00 71.30 C ATOM 1121 C LEU A 79 5.470 -8.172 -14.310 1.00 10.50 C ATOM 1122 O LEU A 79 5.268 -7.902 -15.500 1.00 63.40 O ATOM 1123 CB LEU A 79 3.583 -7.561 -12.790 1.00 4.43 C ATOM 1124 CG LEU A 79 2.158 -7.896 -12.350 1.00 53.30 C ATOM 1125 CD1 LEU A 79 1.623 -6.825 -11.410 1.00 52.20 C ATOM 1126 CD2 LEU A 79 1.249 -8.053 -13.560 1.00 64.20 C ATOM 0 H LEU A 79 4.671 -9.319 -11.454 1.00 73.30 H new ATOM 0 HA LEU A 79 3.665 -9.292 -14.054 1.00 71.30 H new ATOM 0 HB2 LEU A 79 4.142 -7.210 -11.923 1.00 4.43 H new ATOM 0 HB3 LEU A 79 3.543 -6.734 -13.499 1.00 4.43 H new ATOM 0 HG LEU A 79 2.177 -8.844 -11.812 1.00 53.30 H new ATOM 0 HD11 LEU A 79 0.608 -7.081 -11.107 1.00 52.20 H new ATOM 0 HD12 LEU A 79 2.260 -6.764 -10.528 1.00 52.20 H new ATOM 0 HD13 LEU A 79 1.618 -5.862 -11.921 1.00 52.20 H new ATOM 0 HD21 LEU A 79 0.239 -8.291 -13.228 1.00 64.20 H new ATOM 0 HD22 LEU A 79 1.234 -7.122 -14.127 1.00 64.20 H new ATOM 0 HD23 LEU A 79 1.622 -8.858 -14.193 1.00 64.20 H new ATOM 1138 N LYS A 80 6.652 -8.013 -13.730 1.00 43.50 N ATOM 1139 CA LYS A 80 7.805 -7.500 -14.460 1.00 21.40 C ATOM 1140 C LYS A 80 8.447 -8.598 -15.300 1.00 44.40 C ATOM 1141 O LYS A 80 8.815 -8.375 -16.450 1.00 73.00 O ATOM 1142 CB LYS A 80 8.833 -6.920 -13.480 1.00 53.10 C ATOM 1143 CG LYS A 80 8.658 -5.431 -13.230 1.00 13.10 C ATOM 1144 CD LYS A 80 9.175 -5.036 -11.860 1.00 53.40 C ATOM 1145 CE LYS A 80 9.361 -3.531 -11.740 1.00 64.50 C ATOM 1146 NZ LYS A 80 10.228 -3.164 -10.590 1.00 25.40 N ATOM 0 H LYS A 80 6.839 -8.233 -12.752 1.00 43.50 H new ATOM 0 HA LYS A 80 7.463 -6.710 -15.129 1.00 21.40 H new ATOM 0 HB2 LYS A 80 8.759 -7.451 -12.531 1.00 53.10 H new ATOM 0 HB3 LYS A 80 9.835 -7.100 -13.868 1.00 53.10 H new ATOM 0 HG2 LYS A 80 9.188 -4.867 -13.997 1.00 13.10 H new ATOM 0 HG3 LYS A 80 7.603 -5.168 -13.312 1.00 13.10 H new ATOM 0 HD2 LYS A 80 8.478 -5.378 -11.095 1.00 53.40 H new ATOM 0 HD3 LYS A 80 10.125 -5.536 -11.672 1.00 53.40 H new ATOM 0 HE2 LYS A 80 9.799 -3.146 -12.661 1.00 64.50 H new ATOM 0 HE3 LYS A 80 8.388 -3.054 -11.626 1.00 64.50 H new ATOM 0 HZ1 LYS A 80 10.327 -2.130 -10.546 1.00 25.40 H new ATOM 0 HZ2 LYS A 80 9.798 -3.508 -9.708 1.00 25.40 H new ATOM 0 HZ3 LYS A 80 11.166 -3.597 -10.710 1.00 25.40 H new ATOM 1160 N ASN A 81 8.579 -9.785 -14.720 1.00 35.10 N ATOM 1161 CA ASN A 81 9.176 -10.910 -15.410 1.00 32.20 C ATOM 1162 C ASN A 81 8.383 -11.260 -16.670 1.00 72.40 C ATOM 1163 O ASN A 81 8.955 -11.470 -17.740 1.00 11.40 O ATOM 1164 CB ASN A 81 9.246 -12.130 -14.490 1.00 14.30 C ATOM 1165 CG ASN A 81 10.502 -12.950 -14.700 1.00 4.03 C ATOM 1166 OD1 ASN A 81 10.765 -13.420 -15.810 1.00 21.10 O ATOM 1167 ND2 ASN A 81 11.286 -13.120 -13.640 1.00 35.40 N ATOM 0 H ASN A 81 8.277 -9.989 -13.767 1.00 35.10 H new ATOM 0 HA ASN A 81 10.187 -10.625 -15.700 1.00 32.20 H new ATOM 0 HB2 ASN A 81 9.202 -11.800 -13.452 1.00 14.30 H new ATOM 0 HB3 ASN A 81 8.373 -12.760 -14.662 1.00 14.30 H new ATOM 0 HD21 ASN A 81 12.148 -13.659 -13.724 1.00 35.40 H new ATOM 0 HD22 ASN A 81 11.026 -12.711 -12.742 1.00 35.40 H new