USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 623 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 70 GLN : amide:sc=-0.00357 K(o=-0.0091,f=-0.62) USER MOD Set 1.2: A 92 GLN : amide:sc=-0.00548 K(o=-0.0091,f=-0.55) USER MOD Set 2.1: A 67 THR OG1 : rot 150:sc= -1.05 USER MOD Set 2.2: A 69 ASN : amide:sc= -0.88 K(o=-1.9,f=-7.6!) USER MOD Set 3.1: A 34 ASN : amide:sc= -0.0159 K(o=1.3,f=2) USER MOD Set 3.2: A 37 SER OG : rot 76:sc= 1.29 USER MOD Single : A 7 SER OG : rot -42:sc= -1.43! USER MOD Single : A 9 SER OG : rot 180:sc= -0.532 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 168:sc= 0.0113 USER MOD Single : A 14 ASN : amide:sc= 0.0544 K(o=0.054,f=-1.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 64:sc= 1.19 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -2.42 K(o=-2.4,f=-1.5) USER MOD Single : A 24 ASN : amide:sc= -0.0669 X(o=-0.067,f=-0.067) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.15) USER MOD Single : A 40 THR OG1 : rot -140:sc= -0.834 USER MOD Single : A 42 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.24) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0064 USER MOD Single : A 47 SER OG : rot -138:sc= -0.674 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0245 X(o=-0.025,f=-0.018) USER MOD Single : A 50 THR OG1 : rot -140:sc= -3.24! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.72 K(o=-3.7,f=-5.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 61 SER OG : rot 180:sc=-0.00344 USER MOD Single : A 62 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-2.6) USER MOD Single : A 66 SER OG : rot 180:sc= -0.665 USER MOD Single : A 72 ASN : amide:sc= -0.915 K(o=-0.92,f=-0.13) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.767 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.981 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 4 3.265 7.651 -5.296 1.00 74.25 N ATOM 43 CA ALA A 4 3.800 8.369 -6.446 1.00 62.24 C ATOM 44 C ALA A 4 3.802 9.874 -6.201 1.00 62.15 C ATOM 45 O ALA A 4 2.769 10.463 -5.881 1.00 73.35 O ATOM 46 CB ALA A 4 2.999 8.037 -7.696 1.00 74.52 C ATOM 0 HA ALA A 4 4.832 8.050 -6.594 1.00 62.24 H new ATOM 0 HB1 ALA A 4 3.410 8.581 -8.547 1.00 74.52 H new ATOM 0 HB2 ALA A 4 3.054 6.966 -7.889 1.00 74.52 H new ATOM 0 HB3 ALA A 4 1.959 8.327 -7.549 1.00 74.52 H new ATOM 52 N LEU A 5 4.969 10.492 -6.353 1.00 35.51 N ATOM 53 CA LEU A 5 5.105 11.929 -6.147 1.00 43.34 C ATOM 54 C LEU A 5 4.043 12.695 -6.930 1.00 61.31 C ATOM 55 O LEU A 5 3.400 12.146 -7.825 1.00 20.52 O ATOM 56 CB LEU A 5 6.500 12.394 -6.570 1.00 1.44 C ATOM 57 CG LEU A 5 7.641 12.049 -5.612 1.00 62.43 C ATOM 58 CD1 LEU A 5 8.967 12.008 -6.355 1.00 65.24 C ATOM 59 CD2 LEU A 5 7.699 13.050 -4.468 1.00 44.11 C ATOM 0 H LEU A 5 5.834 10.020 -6.618 1.00 35.51 H new ATOM 0 HA LEU A 5 4.965 12.134 -5.086 1.00 43.34 H new ATOM 0 HB2 LEU A 5 6.726 11.960 -7.544 1.00 1.44 H new ATOM 0 HB3 LEU A 5 6.477 13.476 -6.701 1.00 1.44 H new ATOM 0 HG LEU A 5 7.452 11.061 -5.193 1.00 62.43 H new ATOM 0 HD11 LEU A 5 9.767 11.761 -5.658 1.00 65.24 H new ATOM 0 HD12 LEU A 5 8.922 11.251 -7.138 1.00 65.24 H new ATOM 0 HD13 LEU A 5 9.164 12.982 -6.803 1.00 65.24 H new ATOM 0 HD21 LEU A 5 8.517 12.788 -3.797 1.00 44.11 H new ATOM 0 HD22 LEU A 5 7.864 14.050 -4.868 1.00 44.11 H new ATOM 0 HD23 LEU A 5 6.758 13.029 -3.918 1.00 44.11 H new ATOM 71 N VAL A 6 3.865 13.967 -6.588 1.00 64.13 N ATOM 72 CA VAL A 6 2.884 14.809 -7.261 1.00 12.31 C ATOM 73 C VAL A 6 3.315 16.272 -7.250 1.00 70.42 C ATOM 74 O VAL A 6 3.704 16.822 -8.280 1.00 41.21 O ATOM 75 CB VAL A 6 1.496 14.690 -6.603 1.00 25.25 C ATOM 76 CG1 VAL A 6 0.524 15.681 -7.222 1.00 52.44 C ATOM 77 CG2 VAL A 6 0.970 13.268 -6.724 1.00 24.43 C ATOM 0 H VAL A 6 4.388 14.437 -5.849 1.00 64.13 H new ATOM 0 HA VAL A 6 2.821 14.459 -8.291 1.00 12.31 H new ATOM 0 HB VAL A 6 1.594 14.928 -5.544 1.00 25.25 H new ATOM 0 HG11 VAL A 6 -0.451 15.582 -6.744 1.00 52.44 H new ATOM 0 HG12 VAL A 6 0.897 16.695 -7.078 1.00 52.44 H new ATOM 0 HG13 VAL A 6 0.427 15.478 -8.289 1.00 52.44 H new ATOM 0 HG21 VAL A 6 -0.011 13.202 -6.254 1.00 24.43 H new ATOM 0 HG22 VAL A 6 0.887 12.999 -7.777 1.00 24.43 H new ATOM 0 HG23 VAL A 6 1.657 12.582 -6.228 1.00 24.43 H new ATOM 87 N SER A 7 3.244 16.895 -6.079 1.00 14.34 N ATOM 88 CA SER A 7 3.624 18.296 -5.934 1.00 34.32 C ATOM 89 C SER A 7 3.925 18.629 -4.476 1.00 20.22 C ATOM 90 O SER A 7 3.730 17.801 -3.586 1.00 23.54 O ATOM 91 CB SER A 7 2.510 19.205 -6.457 1.00 30.02 C ATOM 92 OG SER A 7 1.834 18.607 -7.549 1.00 72.40 O ATOM 0 H SER A 7 2.927 16.453 -5.216 1.00 14.34 H new ATOM 0 HA SER A 7 4.527 18.465 -6.521 1.00 34.32 H new ATOM 0 HB2 SER A 7 1.801 19.413 -5.656 1.00 30.02 H new ATOM 0 HB3 SER A 7 2.932 20.161 -6.766 1.00 30.02 H new ATOM 0 HG SER A 7 2.486 18.185 -8.146 1.00 72.40 H new ATOM 98 N ILE A 8 4.401 19.847 -4.240 1.00 61.40 N ATOM 99 CA ILE A 8 4.729 20.290 -2.891 1.00 14.32 C ATOM 100 C ILE A 8 4.410 21.770 -2.706 1.00 45.23 C ATOM 101 O ILE A 8 4.385 22.535 -3.670 1.00 51.14 O ATOM 102 CB ILE A 8 6.215 20.052 -2.565 1.00 32.21 C ATOM 103 CG1 ILE A 8 7.104 20.833 -3.535 1.00 31.22 C ATOM 104 CG2 ILE A 8 6.538 18.566 -2.621 1.00 54.12 C ATOM 105 CD1 ILE A 8 7.410 22.241 -3.074 1.00 31.42 C ATOM 0 H ILE A 8 4.568 20.544 -4.965 1.00 61.40 H new ATOM 0 HA ILE A 8 4.117 19.700 -2.208 1.00 14.32 H new ATOM 0 HB ILE A 8 6.412 20.409 -1.554 1.00 32.21 H new ATOM 0 HG12 ILE A 8 8.041 20.293 -3.672 1.00 31.22 H new ATOM 0 HG13 ILE A 8 6.615 20.876 -4.508 1.00 31.22 H new ATOM 0 HG21 ILE A 8 7.592 18.414 -2.388 1.00 54.12 H new ATOM 0 HG22 ILE A 8 5.925 18.033 -1.894 1.00 54.12 H new ATOM 0 HG23 ILE A 8 6.329 18.186 -3.621 1.00 54.12 H new ATOM 0 HD11 ILE A 8 8.044 22.735 -3.810 1.00 31.42 H new ATOM 0 HD12 ILE A 8 6.480 22.798 -2.964 1.00 31.42 H new ATOM 0 HD13 ILE A 8 7.927 22.206 -2.115 1.00 31.42 H new ATOM 117 N SER A 9 4.170 22.167 -1.461 1.00 1.52 N ATOM 118 CA SER A 9 3.852 23.556 -1.149 1.00 73.04 C ATOM 119 C SER A 9 5.032 24.245 -0.471 1.00 50.13 C ATOM 120 O SER A 9 5.350 23.963 0.684 1.00 44.00 O ATOM 121 CB SER A 9 2.618 23.628 -0.248 1.00 13.50 C ATOM 122 OG SER A 9 1.745 22.539 -0.490 1.00 75.11 O ATOM 0 H SER A 9 4.190 21.547 -0.651 1.00 1.52 H new ATOM 0 HA SER A 9 3.641 24.074 -2.085 1.00 73.04 H new ATOM 0 HB2 SER A 9 2.927 23.625 0.797 1.00 13.50 H new ATOM 0 HB3 SER A 9 2.091 24.566 -0.422 1.00 13.50 H new ATOM 0 HG SER A 9 0.965 22.608 0.100 1.00 75.11 H new ATOM 128 N VAL A 10 5.678 25.151 -1.199 1.00 30.12 N ATOM 129 CA VAL A 10 6.823 25.882 -0.669 1.00 14.11 C ATOM 130 C VAL A 10 6.567 27.385 -0.678 1.00 34.04 C ATOM 131 O VAL A 10 6.055 27.932 -1.655 1.00 5.34 O ATOM 132 CB VAL A 10 8.101 25.585 -1.476 1.00 14.52 C ATOM 133 CG1 VAL A 10 8.718 24.268 -1.033 1.00 21.21 C ATOM 134 CG2 VAL A 10 7.797 25.567 -2.966 1.00 52.13 C ATOM 0 H VAL A 10 5.428 25.396 -2.157 1.00 30.12 H new ATOM 0 HA VAL A 10 6.965 25.547 0.358 1.00 14.11 H new ATOM 0 HB VAL A 10 8.823 26.379 -1.286 1.00 14.52 H new ATOM 0 HG11 VAL A 10 9.620 24.075 -1.614 1.00 21.21 H new ATOM 0 HG12 VAL A 10 8.973 24.324 0.025 1.00 21.21 H new ATOM 0 HG13 VAL A 10 8.004 23.460 -1.192 1.00 21.21 H new ATOM 0 HG21 VAL A 10 8.711 25.356 -3.521 1.00 52.13 H new ATOM 0 HG22 VAL A 10 7.057 24.795 -3.177 1.00 52.13 H new ATOM 0 HG23 VAL A 10 7.405 26.538 -3.269 1.00 52.13 H new ATOM 144 N SER A 11 6.926 28.047 0.417 1.00 12.33 N ATOM 145 CA SER A 11 6.732 29.488 0.538 1.00 61.44 C ATOM 146 C SER A 11 8.073 30.211 0.621 1.00 72.02 C ATOM 147 O SER A 11 8.448 30.759 1.657 1.00 24.24 O ATOM 148 CB SER A 11 5.889 29.809 1.773 1.00 30.32 C ATOM 149 OG SER A 11 4.588 29.258 1.660 1.00 1.10 O ATOM 0 H SER A 11 7.353 27.609 1.233 1.00 12.33 H new ATOM 0 HA SER A 11 6.206 29.835 -0.351 1.00 61.44 H new ATOM 0 HB2 SER A 11 6.378 29.415 2.664 1.00 30.32 H new ATOM 0 HB3 SER A 11 5.820 30.889 1.899 1.00 30.32 H new ATOM 0 HG SER A 11 4.070 29.476 2.463 1.00 1.10 H new ATOM 155 N PRO A 12 8.813 30.214 -0.498 1.00 30.22 N ATOM 156 CA PRO A 12 10.123 30.866 -0.578 1.00 42.23 C ATOM 157 C PRO A 12 10.018 32.387 -0.527 1.00 71.53 C ATOM 158 O PRO A 12 9.081 32.974 -1.071 1.00 25.53 O ATOM 159 CB PRO A 12 10.662 30.413 -1.937 1.00 62.14 C ATOM 160 CG PRO A 12 9.448 30.105 -2.743 1.00 34.51 C ATOM 161 CD PRO A 12 8.428 29.581 -1.770 1.00 74.42 C ATOM 0 HA PRO A 12 10.764 30.597 0.262 1.00 42.23 H new ATOM 0 HB2 PRO A 12 11.261 31.194 -2.406 1.00 62.14 H new ATOM 0 HB3 PRO A 12 11.303 29.537 -1.837 1.00 62.14 H new ATOM 0 HG2 PRO A 12 9.081 30.996 -3.252 1.00 34.51 H new ATOM 0 HG3 PRO A 12 9.668 29.366 -3.514 1.00 34.51 H new ATOM 0 HD2 PRO A 12 7.415 29.854 -2.064 1.00 74.42 H new ATOM 0 HD3 PRO A 12 8.458 28.493 -1.703 1.00 74.42 H new ATOM 169 N THR A 13 10.985 33.021 0.129 1.00 72.40 N ATOM 170 CA THR A 13 11.000 34.473 0.252 1.00 63.25 C ATOM 171 C THR A 13 12.218 35.070 -0.444 1.00 1.30 C ATOM 172 O THR A 13 13.352 34.865 -0.014 1.00 44.25 O ATOM 173 CB THR A 13 10.999 34.912 1.728 1.00 45.01 C ATOM 174 OG1 THR A 13 9.875 34.343 2.408 1.00 51.13 O ATOM 175 CG2 THR A 13 10.953 36.428 1.841 1.00 1.33 C ATOM 0 H THR A 13 11.768 32.551 0.583 1.00 72.40 H new ATOM 0 HA THR A 13 10.093 34.841 -0.228 1.00 63.25 H new ATOM 0 HB THR A 13 11.920 34.557 2.191 1.00 45.01 H new ATOM 0 HG1 THR A 13 9.980 34.468 3.374 1.00 51.13 H new ATOM 0 HG21 THR A 13 10.953 36.715 2.893 1.00 1.33 H new ATOM 0 HG22 THR A 13 11.826 36.856 1.348 1.00 1.33 H new ATOM 0 HG23 THR A 13 10.047 36.801 1.363 1.00 1.33 H new ATOM 183 N ASN A 14 11.975 35.811 -1.520 1.00 71.04 N ATOM 184 CA ASN A 14 13.053 36.439 -2.276 1.00 20.14 C ATOM 185 C ASN A 14 13.191 37.912 -1.904 1.00 53.34 C ATOM 186 O ASN A 14 13.026 38.794 -2.748 1.00 31.51 O ATOM 187 CB ASN A 14 12.799 36.301 -3.778 1.00 54.50 C ATOM 188 CG ASN A 14 11.381 36.679 -4.161 1.00 53.12 C ATOM 189 OD1 ASN A 14 10.439 35.924 -3.920 1.00 73.14 O ATOM 190 ND2 ASN A 14 11.223 37.853 -4.762 1.00 11.05 N ATOM 0 H ASN A 14 11.041 35.991 -1.888 1.00 71.04 H new ATOM 0 HA ASN A 14 13.984 35.931 -2.025 1.00 20.14 H new ATOM 0 HB2 ASN A 14 13.500 36.934 -4.322 1.00 54.50 H new ATOM 0 HB3 ASN A 14 12.993 35.273 -4.084 1.00 54.50 H new ATOM 0 HD21 ASN A 14 10.292 38.161 -5.043 1.00 11.05 H new ATOM 0 HD22 ASN A 14 12.033 38.447 -4.942 1.00 11.05 H new ATOM 197 N SER A 15 13.495 38.172 -0.637 1.00 35.33 N ATOM 198 CA SER A 15 13.652 39.538 -0.152 1.00 55.25 C ATOM 199 C SER A 15 14.904 39.669 0.709 1.00 60.22 C ATOM 200 O SER A 15 15.735 38.761 0.760 1.00 41.44 O ATOM 201 CB SER A 15 12.420 39.962 0.651 1.00 61.24 C ATOM 202 OG SER A 15 11.256 39.302 0.185 1.00 72.30 O ATOM 0 H SER A 15 13.638 37.454 0.073 1.00 35.33 H new ATOM 0 HA SER A 15 13.757 40.194 -1.016 1.00 55.25 H new ATOM 0 HB2 SER A 15 12.573 39.734 1.706 1.00 61.24 H new ATOM 0 HB3 SER A 15 12.286 41.041 0.574 1.00 61.24 H new ATOM 0 HG SER A 15 10.483 39.588 0.715 1.00 72.30 H new ATOM 208 N THR A 16 15.033 40.806 1.386 1.00 62.40 N ATOM 209 CA THR A 16 16.184 41.057 2.245 1.00 54.45 C ATOM 210 C THR A 16 15.761 41.203 3.702 1.00 53.12 C ATOM 211 O THR A 16 14.638 41.614 3.995 1.00 73.42 O ATOM 212 CB THR A 16 16.940 42.327 1.812 1.00 42.41 C ATOM 213 OG1 THR A 16 17.875 42.710 2.826 1.00 4.15 O ATOM 214 CG2 THR A 16 15.972 43.471 1.550 1.00 0.20 C ATOM 0 H THR A 16 14.355 41.567 1.356 1.00 62.40 H new ATOM 0 HA THR A 16 16.846 40.197 2.147 1.00 54.45 H new ATOM 0 HB THR A 16 17.476 42.107 0.889 1.00 42.41 H new ATOM 0 HG1 THR A 16 18.559 42.015 2.920 1.00 4.15 H new ATOM 0 HG21 THR A 16 16.529 44.357 1.246 1.00 0.20 H new ATOM 0 HG22 THR A 16 15.280 43.188 0.757 1.00 0.20 H new ATOM 0 HG23 THR A 16 15.412 43.689 2.459 1.00 0.20 H new ATOM 222 N VAL A 17 16.668 40.865 4.613 1.00 35.10 N ATOM 223 CA VAL A 17 16.389 40.960 6.041 1.00 52.00 C ATOM 224 C VAL A 17 17.440 41.806 6.751 1.00 71.21 C ATOM 225 O VAL A 17 18.573 41.925 6.286 1.00 21.21 O ATOM 226 CB VAL A 17 16.338 39.567 6.697 1.00 53.41 C ATOM 227 CG1 VAL A 17 17.723 38.940 6.727 1.00 1.25 C ATOM 228 CG2 VAL A 17 15.754 39.660 8.099 1.00 43.23 C ATOM 0 H VAL A 17 17.602 40.523 4.388 1.00 35.10 H new ATOM 0 HA VAL A 17 15.414 41.437 6.142 1.00 52.00 H new ATOM 0 HB VAL A 17 15.689 38.926 6.100 1.00 53.41 H new ATOM 0 HG11 VAL A 17 17.667 37.957 7.194 1.00 1.25 H new ATOM 0 HG12 VAL A 17 18.098 38.838 5.709 1.00 1.25 H new ATOM 0 HG13 VAL A 17 18.398 39.576 7.300 1.00 1.25 H new ATOM 0 HG21 VAL A 17 15.725 38.667 8.548 1.00 43.23 H new ATOM 0 HG22 VAL A 17 16.375 40.316 8.709 1.00 43.23 H new ATOM 0 HG23 VAL A 17 14.743 40.064 8.046 1.00 43.23 H new ATOM 238 N ALA A 18 17.056 42.391 7.881 1.00 40.34 N ATOM 239 CA ALA A 18 17.966 43.224 8.657 1.00 41.32 C ATOM 240 C ALA A 18 19.055 42.383 9.314 1.00 42.14 C ATOM 241 O ALA A 18 18.910 41.170 9.467 1.00 12.22 O ATOM 242 CB ALA A 18 17.196 44.009 9.709 1.00 60.13 C ATOM 0 H ALA A 18 16.121 42.303 8.279 1.00 40.34 H new ATOM 0 HA ALA A 18 18.447 43.926 7.976 1.00 41.32 H new ATOM 0 HB1 ALA A 18 17.888 44.627 10.281 1.00 60.13 H new ATOM 0 HB2 ALA A 18 16.459 44.647 9.220 1.00 60.13 H new ATOM 0 HB3 ALA A 18 16.688 43.317 10.380 1.00 60.13 H new ATOM 248 N LYS A 19 20.147 43.034 9.699 1.00 4.12 N ATOM 249 CA LYS A 19 21.262 42.347 10.340 1.00 21.13 C ATOM 250 C LYS A 19 20.780 41.513 11.523 1.00 75.34 C ATOM 251 O LYS A 19 19.915 41.942 12.286 1.00 61.43 O ATOM 252 CB LYS A 19 22.310 43.359 10.810 1.00 34.32 C ATOM 253 CG LYS A 19 23.715 42.788 10.888 1.00 70.21 C ATOM 254 CD LYS A 19 23.932 42.013 12.177 1.00 13.21 C ATOM 255 CE LYS A 19 24.575 40.660 11.913 1.00 12.42 C ATOM 256 NZ LYS A 19 25.520 40.275 12.997 1.00 23.21 N ATOM 0 H LYS A 19 20.284 44.038 9.578 1.00 4.12 H new ATOM 0 HA LYS A 19 21.714 41.679 9.607 1.00 21.13 H new ATOM 0 HB2 LYS A 19 22.310 44.211 10.130 1.00 34.32 H new ATOM 0 HB3 LYS A 19 22.025 43.735 11.792 1.00 34.32 H new ATOM 0 HG2 LYS A 19 23.890 42.133 10.035 1.00 70.21 H new ATOM 0 HG3 LYS A 19 24.442 43.598 10.823 1.00 70.21 H new ATOM 0 HD2 LYS A 19 24.565 42.593 12.849 1.00 13.21 H new ATOM 0 HD3 LYS A 19 22.977 41.871 12.682 1.00 13.21 H new ATOM 0 HE2 LYS A 19 23.799 39.901 11.821 1.00 12.42 H new ATOM 0 HE3 LYS A 19 25.106 40.690 10.962 1.00 12.42 H new ATOM 0 HZ1 LYS A 19 25.937 39.347 12.780 1.00 23.21 H new ATOM 0 HZ2 LYS A 19 26.275 40.986 13.068 1.00 23.21 H new ATOM 0 HZ3 LYS A 19 25.008 40.222 13.901 1.00 23.21 H new ATOM 270 N GLY A 20 21.345 40.318 11.669 1.00 5.40 N ATOM 271 CA GLY A 20 20.961 39.444 12.762 1.00 52.14 C ATOM 272 C GLY A 20 19.461 39.237 12.838 1.00 62.33 C ATOM 273 O GLY A 20 18.759 39.977 13.528 1.00 73.42 O ATOM 0 H GLY A 20 22.062 39.940 11.050 1.00 5.40 H new ATOM 0 HA2 GLY A 20 21.452 38.479 12.641 1.00 52.14 H new ATOM 0 HA3 GLY A 20 21.315 39.866 13.703 1.00 52.14 H new ATOM 277 N LEU A 21 18.968 38.229 12.126 1.00 2.11 N ATOM 278 CA LEU A 21 17.541 37.927 12.114 1.00 0.03 C ATOM 279 C LEU A 21 17.299 36.450 11.818 1.00 4.34 C ATOM 280 O LEU A 21 18.243 35.668 11.708 1.00 72.13 O ATOM 281 CB LEU A 21 16.825 38.791 11.075 1.00 43.05 C ATOM 282 CG LEU A 21 15.785 39.772 11.618 1.00 64.43 C ATOM 283 CD1 LEU A 21 16.115 41.192 11.186 1.00 13.22 C ATOM 284 CD2 LEU A 21 14.390 39.381 11.153 1.00 60.01 C ATOM 0 H LEU A 21 19.535 37.607 11.550 1.00 2.11 H new ATOM 0 HA LEU A 21 17.140 38.151 13.102 1.00 0.03 H new ATOM 0 HB2 LEU A 21 17.576 39.357 10.523 1.00 43.05 H new ATOM 0 HB3 LEU A 21 16.334 38.131 10.360 1.00 43.05 H new ATOM 0 HG LEU A 21 15.808 39.731 12.707 1.00 64.43 H new ATOM 0 HD11 LEU A 21 15.364 41.876 11.581 1.00 13.22 H new ATOM 0 HD12 LEU A 21 17.097 41.470 11.569 1.00 13.22 H new ATOM 0 HD13 LEU A 21 16.121 41.249 10.098 1.00 13.22 H new ATOM 0 HD21 LEU A 21 13.663 40.090 11.549 1.00 60.01 H new ATOM 0 HD22 LEU A 21 14.353 39.393 10.064 1.00 60.01 H new ATOM 0 HD23 LEU A 21 14.154 38.380 11.513 1.00 60.01 H new ATOM 296 N GLN A 22 16.030 36.078 11.690 1.00 61.24 N ATOM 297 CA GLN A 22 15.665 34.695 11.405 1.00 44.13 C ATOM 298 C GLN A 22 14.442 34.631 10.497 1.00 72.15 C ATOM 299 O GLN A 22 13.490 35.391 10.669 1.00 53.15 O ATOM 300 CB GLN A 22 15.390 33.940 12.706 1.00 75.20 C ATOM 301 CG GLN A 22 16.618 33.256 13.284 1.00 33.34 C ATOM 302 CD GLN A 22 16.501 31.744 13.278 1.00 43.25 C ATOM 303 OE1 GLN A 22 16.820 31.081 14.265 1.00 51.01 O ATOM 304 NE2 GLN A 22 16.043 31.191 12.161 1.00 33.51 N ATOM 0 H GLN A 22 15.238 36.714 11.779 1.00 61.24 H new ATOM 0 HA GLN A 22 16.502 34.223 10.890 1.00 44.13 H new ATOM 0 HB2 GLN A 22 14.992 34.637 13.443 1.00 75.20 H new ATOM 0 HB3 GLN A 22 14.619 33.191 12.526 1.00 75.20 H new ATOM 0 HG2 GLN A 22 17.497 33.551 12.711 1.00 33.34 H new ATOM 0 HG3 GLN A 22 16.774 33.601 14.306 1.00 33.34 H new ATOM 0 HE21 GLN A 22 15.790 31.779 11.367 1.00 33.51 H new ATOM 0 HE22 GLN A 22 15.944 30.178 12.097 1.00 33.51 H new ATOM 313 N GLU A 23 14.476 33.719 9.530 1.00 74.02 N ATOM 314 CA GLU A 23 13.369 33.557 8.594 1.00 0.41 C ATOM 315 C GLU A 23 12.789 32.148 8.675 1.00 44.11 C ATOM 316 O GLU A 23 13.512 31.160 8.548 1.00 52.40 O ATOM 317 CB GLU A 23 13.833 33.849 7.165 1.00 24.55 C ATOM 318 CG GLU A 23 13.174 35.070 6.548 1.00 10.31 C ATOM 319 CD GLU A 23 12.627 34.799 5.160 1.00 12.22 C ATOM 320 OE1 GLU A 23 13.236 33.991 4.429 1.00 32.42 O ATOM 321 OE2 GLU A 23 11.589 35.396 4.805 1.00 14.14 O ATOM 0 H GLU A 23 15.257 33.082 9.374 1.00 74.02 H new ATOM 0 HA GLU A 23 12.589 34.268 8.867 1.00 0.41 H new ATOM 0 HB2 GLU A 23 14.914 33.991 7.165 1.00 24.55 H new ATOM 0 HB3 GLU A 23 13.626 32.980 6.540 1.00 24.55 H new ATOM 0 HG2 GLU A 23 12.363 35.406 7.195 1.00 10.31 H new ATOM 0 HG3 GLU A 23 13.899 35.882 6.497 1.00 10.31 H new ATOM 328 N ASN A 24 11.480 32.064 8.888 1.00 42.42 N ATOM 329 CA ASN A 24 10.803 30.777 8.987 1.00 32.41 C ATOM 330 C ASN A 24 10.378 30.278 7.609 1.00 24.42 C ATOM 331 O ASN A 24 9.913 31.052 6.773 1.00 70.02 O ATOM 332 CB ASN A 24 9.580 30.889 9.900 1.00 41.10 C ATOM 333 CG ASN A 24 9.799 31.863 11.042 1.00 31.40 C ATOM 334 OD1 ASN A 24 9.255 32.967 11.044 1.00 41.13 O ATOM 335 ND2 ASN A 24 10.599 31.456 12.021 1.00 72.21 N ATOM 0 H ASN A 24 10.867 32.872 8.995 1.00 42.42 H new ATOM 0 HA ASN A 24 11.503 30.059 9.414 1.00 32.41 H new ATOM 0 HB2 ASN A 24 8.719 31.209 9.313 1.00 41.10 H new ATOM 0 HB3 ASN A 24 9.341 29.906 10.305 1.00 41.10 H new ATOM 0 HD21 ASN A 24 10.784 32.067 12.816 1.00 72.21 H new ATOM 0 HD22 ASN A 24 11.029 30.532 11.978 1.00 72.21 H new ATOM 342 N PHE A 25 10.542 28.979 7.380 1.00 32.22 N ATOM 343 CA PHE A 25 10.176 28.376 6.104 1.00 61.31 C ATOM 344 C PHE A 25 9.789 26.911 6.286 1.00 64.25 C ATOM 345 O PHE A 25 10.388 26.193 7.087 1.00 12.24 O ATOM 346 CB PHE A 25 11.335 28.490 5.111 1.00 30.42 C ATOM 347 CG PHE A 25 11.081 27.784 3.810 1.00 51.23 C ATOM 348 CD1 PHE A 25 11.390 26.442 3.662 1.00 21.44 C ATOM 349 CD2 PHE A 25 10.533 28.464 2.734 1.00 75.51 C ATOM 350 CE1 PHE A 25 11.158 25.791 2.466 1.00 61.54 C ATOM 351 CE2 PHE A 25 10.298 27.818 1.535 1.00 72.44 C ATOM 352 CZ PHE A 25 10.610 26.479 1.401 1.00 61.12 C ATOM 0 H PHE A 25 10.926 28.324 8.061 1.00 32.22 H new ATOM 0 HA PHE A 25 9.314 28.915 5.709 1.00 61.31 H new ATOM 0 HB2 PHE A 25 11.530 29.544 4.911 1.00 30.42 H new ATOM 0 HB3 PHE A 25 12.236 28.080 5.568 1.00 30.42 H new ATOM 0 HD1 PHE A 25 11.817 25.898 4.491 1.00 21.44 H new ATOM 0 HD2 PHE A 25 10.287 29.511 2.834 1.00 75.51 H new ATOM 0 HE1 PHE A 25 11.405 24.745 2.364 1.00 61.54 H new ATOM 0 HE2 PHE A 25 9.871 28.359 0.704 1.00 72.44 H new ATOM 0 HZ PHE A 25 10.426 25.971 0.466 1.00 61.12 H new ATOM 362 N LYS A 26 8.784 26.473 5.535 1.00 11.22 N ATOM 363 CA LYS A 26 8.316 25.094 5.611 1.00 13.50 C ATOM 364 C LYS A 26 7.994 24.552 4.222 1.00 12.12 C ATOM 365 O LYS A 26 7.719 25.315 3.296 1.00 20.42 O ATOM 366 CB LYS A 26 7.077 25.003 6.505 1.00 2.24 C ATOM 367 CG LYS A 26 7.181 23.935 7.580 1.00 35.21 C ATOM 368 CD LYS A 26 5.931 23.072 7.630 1.00 31.23 C ATOM 369 CE LYS A 26 4.752 23.831 8.219 1.00 2.44 C ATOM 370 NZ LYS A 26 3.449 23.235 7.813 1.00 4.42 N ATOM 0 H LYS A 26 8.278 27.054 4.866 1.00 11.22 H new ATOM 0 HA LYS A 26 9.113 24.489 6.043 1.00 13.50 H new ATOM 0 HB2 LYS A 26 6.910 25.970 6.980 1.00 2.24 H new ATOM 0 HB3 LYS A 26 6.205 24.798 5.884 1.00 2.24 H new ATOM 0 HG2 LYS A 26 8.051 23.307 7.387 1.00 35.21 H new ATOM 0 HG3 LYS A 26 7.337 24.407 8.550 1.00 35.21 H new ATOM 0 HD2 LYS A 26 5.681 22.733 6.625 1.00 31.23 H new ATOM 0 HD3 LYS A 26 6.126 22.181 8.227 1.00 31.23 H new ATOM 0 HE2 LYS A 26 4.828 23.832 9.306 1.00 2.44 H new ATOM 0 HE3 LYS A 26 4.792 24.871 7.896 1.00 2.44 H new ATOM 0 HZ1 LYS A 26 2.671 23.781 8.235 1.00 4.42 H new ATOM 0 HZ2 LYS A 26 3.365 23.257 6.777 1.00 4.42 H new ATOM 0 HZ3 LYS A 26 3.400 22.250 8.143 1.00 4.42 H new ATOM 384 N ALA A 27 8.029 23.231 4.085 1.00 35.43 N ATOM 385 CA ALA A 27 7.737 22.587 2.811 1.00 60.35 C ATOM 386 C ALA A 27 6.698 21.483 2.978 1.00 41.02 C ATOM 387 O ALA A 27 6.869 20.572 3.788 1.00 24.24 O ATOM 388 CB ALA A 27 9.012 22.026 2.199 1.00 62.42 C ATOM 0 H ALA A 27 8.257 22.586 4.841 1.00 35.43 H new ATOM 0 HA ALA A 27 7.324 23.339 2.139 1.00 60.35 H new ATOM 0 HB1 ALA A 27 8.779 21.548 1.248 1.00 62.42 H new ATOM 0 HB2 ALA A 27 9.723 22.835 2.034 1.00 62.42 H new ATOM 0 HB3 ALA A 27 9.449 21.292 2.877 1.00 62.42 H new ATOM 394 N THR A 28 5.619 21.571 2.206 1.00 32.45 N ATOM 395 CA THR A 28 4.551 20.581 2.271 1.00 62.43 C ATOM 396 C THR A 28 4.684 19.556 1.150 1.00 32.52 C ATOM 397 O THR A 28 4.773 19.913 -0.024 1.00 23.44 O ATOM 398 CB THR A 28 3.164 21.244 2.183 1.00 52.04 C ATOM 399 OG1 THR A 28 3.186 22.515 2.842 1.00 32.11 O ATOM 400 CG2 THR A 28 2.099 20.358 2.813 1.00 45.44 C ATOM 0 H THR A 28 5.462 22.317 1.529 1.00 32.45 H new ATOM 0 HA THR A 28 4.644 20.078 3.233 1.00 62.43 H new ATOM 0 HB THR A 28 2.919 21.385 1.130 1.00 52.04 H new ATOM 0 HG1 THR A 28 2.301 22.931 2.780 1.00 32.11 H new ATOM 0 HG21 THR A 28 1.128 20.847 2.739 1.00 45.44 H new ATOM 0 HG22 THR A 28 2.065 19.402 2.290 1.00 45.44 H new ATOM 0 HG23 THR A 28 2.341 20.189 3.862 1.00 45.44 H new ATOM 408 N GLY A 29 4.695 18.279 1.521 1.00 70.53 N ATOM 409 CA GLY A 29 4.816 17.221 0.534 1.00 4.03 C ATOM 410 C GLY A 29 3.487 16.562 0.224 1.00 10.11 C ATOM 411 O GLY A 29 2.808 16.066 1.123 1.00 21.45 O ATOM 0 H GLY A 29 4.622 17.958 2.487 1.00 70.53 H new ATOM 0 HA2 GLY A 29 5.237 17.631 -0.384 1.00 4.03 H new ATOM 0 HA3 GLY A 29 5.515 16.468 0.897 1.00 4.03 H new ATOM 415 N ILE A 30 3.113 16.559 -1.051 1.00 65.40 N ATOM 416 CA ILE A 30 1.856 15.956 -1.477 1.00 2.44 C ATOM 417 C ILE A 30 2.101 14.771 -2.404 1.00 74.01 C ATOM 418 O ILE A 30 2.803 14.889 -3.408 1.00 45.01 O ATOM 419 CB ILE A 30 0.957 16.979 -2.195 1.00 52.34 C ATOM 420 CG1 ILE A 30 0.437 18.020 -1.202 1.00 54.41 C ATOM 421 CG2 ILE A 30 -0.201 16.274 -2.886 1.00 64.32 C ATOM 422 CD1 ILE A 30 0.224 19.387 -1.815 1.00 21.01 C ATOM 0 H ILE A 30 3.663 16.967 -1.807 1.00 65.40 H new ATOM 0 HA ILE A 30 1.350 15.610 -0.576 1.00 2.44 H new ATOM 0 HB ILE A 30 1.549 17.492 -2.953 1.00 52.34 H new ATOM 0 HG12 ILE A 30 -0.505 17.669 -0.780 1.00 54.41 H new ATOM 0 HG13 ILE A 30 1.143 18.107 -0.376 1.00 54.41 H new ATOM 0 HG21 ILE A 30 -0.827 17.011 -3.389 1.00 64.32 H new ATOM 0 HG22 ILE A 30 0.188 15.568 -3.619 1.00 64.32 H new ATOM 0 HG23 ILE A 30 -0.795 15.738 -2.145 1.00 64.32 H new ATOM 0 HD11 ILE A 30 -0.145 20.074 -1.053 1.00 21.01 H new ATOM 0 HD12 ILE A 30 1.169 19.759 -2.212 1.00 21.01 H new ATOM 0 HD13 ILE A 30 -0.505 19.314 -2.622 1.00 21.01 H new ATOM 434 N PHE A 31 1.514 13.628 -2.062 1.00 43.53 N ATOM 435 CA PHE A 31 1.667 12.421 -2.865 1.00 24.42 C ATOM 436 C PHE A 31 0.324 11.970 -3.432 1.00 1.34 C ATOM 437 O PHE A 31 -0.731 12.267 -2.870 1.00 72.13 O ATOM 438 CB PHE A 31 2.281 11.299 -2.024 1.00 72.33 C ATOM 439 CG PHE A 31 3.731 11.049 -2.325 1.00 2.44 C ATOM 440 CD1 PHE A 31 4.712 11.881 -1.809 1.00 21.35 C ATOM 441 CD2 PHE A 31 4.114 9.984 -3.123 1.00 74.25 C ATOM 442 CE1 PHE A 31 6.048 11.654 -2.083 1.00 32.24 C ATOM 443 CE2 PHE A 31 5.448 9.752 -3.401 1.00 34.34 C ATOM 444 CZ PHE A 31 6.416 10.588 -2.881 1.00 12.44 C ATOM 0 H PHE A 31 0.929 13.513 -1.235 1.00 43.53 H new ATOM 0 HA PHE A 31 2.333 12.650 -3.697 1.00 24.42 H new ATOM 0 HB2 PHE A 31 2.175 11.548 -0.968 1.00 72.33 H new ATOM 0 HB3 PHE A 31 1.719 10.380 -2.193 1.00 72.33 H new ATOM 0 HD1 PHE A 31 4.430 12.716 -1.186 1.00 21.35 H new ATOM 0 HD2 PHE A 31 3.361 9.327 -3.533 1.00 74.25 H new ATOM 0 HE1 PHE A 31 6.803 12.309 -1.674 1.00 32.24 H new ATOM 0 HE2 PHE A 31 5.733 8.917 -4.024 1.00 34.34 H new ATOM 0 HZ PHE A 31 7.459 10.409 -3.098 1.00 12.44 H new ATOM 454 N THR A 32 0.371 11.252 -4.549 1.00 71.13 N ATOM 455 CA THR A 32 -0.841 10.762 -5.194 1.00 64.31 C ATOM 456 C THR A 32 -1.530 9.704 -4.339 1.00 5.52 C ATOM 457 O THR A 32 -2.750 9.549 -4.390 1.00 43.23 O ATOM 458 CB THR A 32 -0.537 10.165 -6.581 1.00 43.34 C ATOM 459 OG1 THR A 32 -1.752 10.000 -7.321 1.00 0.33 O ATOM 460 CG2 THR A 32 0.169 8.824 -6.451 1.00 45.20 C ATOM 0 H THR A 32 1.236 10.997 -5.026 1.00 71.13 H new ATOM 0 HA THR A 32 -1.504 11.619 -5.312 1.00 64.31 H new ATOM 0 HB THR A 32 0.120 10.854 -7.111 1.00 43.34 H new ATOM 0 HG1 THR A 32 -1.550 9.621 -8.202 1.00 0.33 H new ATOM 0 HG21 THR A 32 0.373 8.422 -7.444 1.00 45.20 H new ATOM 0 HG22 THR A 32 1.108 8.958 -5.914 1.00 45.20 H new ATOM 0 HG23 THR A 32 -0.467 8.129 -5.902 1.00 45.20 H new ATOM 468 N ASP A 33 -0.741 8.980 -3.553 1.00 3.33 N ATOM 469 CA ASP A 33 -1.275 7.938 -2.684 1.00 55.11 C ATOM 470 C ASP A 33 -1.202 8.360 -1.220 1.00 52.30 C ATOM 471 O ASP A 33 -1.411 7.549 -0.319 1.00 15.40 O ATOM 472 CB ASP A 33 -0.509 6.630 -2.890 1.00 14.44 C ATOM 473 CG ASP A 33 -1.430 5.430 -2.988 1.00 63.35 C ATOM 474 OD1 ASP A 33 -2.255 5.390 -3.925 1.00 4.51 O ATOM 475 OD2 ASP A 33 -1.326 4.530 -2.129 1.00 23.43 O ATOM 0 H ASP A 33 0.271 9.096 -3.500 1.00 3.33 H new ATOM 0 HA ASP A 33 -2.321 7.782 -2.946 1.00 55.11 H new ATOM 0 HB2 ASP A 33 0.088 6.701 -3.799 1.00 14.44 H new ATOM 0 HB3 ASP A 33 0.186 6.485 -2.063 1.00 14.44 H new ATOM 480 N ASN A 34 -0.902 9.635 -0.991 1.00 74.23 N ATOM 481 CA ASN A 34 -0.800 10.164 0.364 1.00 43.53 C ATOM 482 C ASN A 34 -1.696 11.387 0.539 1.00 24.13 C ATOM 483 O ASN A 34 -1.887 11.874 1.653 1.00 31.04 O ATOM 484 CB ASN A 34 0.651 10.532 0.681 1.00 22.23 C ATOM 485 CG ASN A 34 1.019 10.241 2.124 1.00 53.14 C ATOM 486 OD1 ASN A 34 1.242 11.157 2.916 1.00 74.13 O ATOM 487 ND2 ASN A 34 1.084 8.961 2.471 1.00 52.10 N ATOM 0 H ASN A 34 -0.726 10.320 -1.726 1.00 74.23 H new ATOM 0 HA ASN A 34 -1.132 9.390 1.056 1.00 43.53 H new ATOM 0 HB2 ASN A 34 1.317 9.977 0.020 1.00 22.23 H new ATOM 0 HB3 ASN A 34 0.808 11.591 0.475 1.00 22.23 H new ATOM 0 HD21 ASN A 34 1.327 8.704 3.428 1.00 52.10 H new ATOM 0 HD22 ASN A 34 0.891 8.235 1.781 1.00 52.10 H new ATOM 494 N SER A 35 -2.242 11.877 -0.569 1.00 14.14 N ATOM 495 CA SER A 35 -3.116 13.044 -0.538 1.00 43.42 C ATOM 496 C SER A 35 -2.337 14.295 -0.141 1.00 34.04 C ATOM 497 O SER A 35 -2.016 15.133 -0.982 1.00 62.30 O ATOM 498 CB SER A 35 -4.272 12.818 0.438 1.00 63.50 C ATOM 499 OG SER A 35 -5.499 12.662 -0.253 1.00 13.34 O ATOM 0 H SER A 35 -2.095 11.484 -1.499 1.00 14.14 H new ATOM 0 HA SER A 35 -3.520 13.191 -1.540 1.00 43.42 H new ATOM 0 HB2 SER A 35 -4.075 11.931 1.041 1.00 63.50 H new ATOM 0 HB3 SER A 35 -4.342 13.661 1.125 1.00 63.50 H new ATOM 0 HG SER A 35 -6.222 12.517 0.393 1.00 13.34 H new ATOM 505 N ASN A 36 -2.038 14.413 1.149 1.00 33.00 N ATOM 506 CA ASN A 36 -1.298 15.561 1.660 1.00 51.10 C ATOM 507 C ASN A 36 -0.434 15.164 2.853 1.00 14.24 C ATOM 508 O ASN A 36 -0.884 14.447 3.747 1.00 12.11 O ATOM 509 CB ASN A 36 -2.263 16.678 2.063 1.00 31.25 C ATOM 510 CG ASN A 36 -1.780 18.046 1.624 1.00 41.32 C ATOM 511 OD1 ASN A 36 -2.463 18.748 0.877 1.00 22.33 O ATOM 512 ND2 ASN A 36 -0.596 18.432 2.086 1.00 14.41 N ATOM 0 H ASN A 36 -2.297 13.728 1.859 1.00 33.00 H new ATOM 0 HA ASN A 36 -0.645 15.924 0.866 1.00 51.10 H new ATOM 0 HB2 ASN A 36 -3.242 16.484 1.625 1.00 31.25 H new ATOM 0 HB3 ASN A 36 -2.391 16.671 3.145 1.00 31.25 H new ATOM 0 HD21 ASN A 36 -0.219 19.343 1.824 1.00 14.41 H new ATOM 0 HD22 ASN A 36 -0.064 17.818 2.703 1.00 14.41 H new ATOM 519 N SER A 37 0.808 15.636 2.861 1.00 41.23 N ATOM 520 CA SER A 37 1.736 15.328 3.942 1.00 4.43 C ATOM 521 C SER A 37 2.572 16.552 4.306 1.00 51.11 C ATOM 522 O SER A 37 3.167 17.192 3.438 1.00 34.41 O ATOM 523 CB SER A 37 2.654 14.171 3.542 1.00 54.33 C ATOM 524 OG SER A 37 2.379 13.736 2.221 1.00 11.43 O ATOM 0 H SER A 37 1.195 16.234 2.131 1.00 41.23 H new ATOM 0 HA SER A 37 1.153 15.034 4.815 1.00 4.43 H new ATOM 0 HB2 SER A 37 3.695 14.486 3.615 1.00 54.33 H new ATOM 0 HB3 SER A 37 2.523 13.341 4.236 1.00 54.33 H new ATOM 0 HG SER A 37 2.749 14.379 1.581 1.00 11.43 H new ATOM 530 N ASP A 38 2.611 16.872 5.595 1.00 65.43 N ATOM 531 CA ASP A 38 3.374 18.018 6.075 1.00 24.22 C ATOM 532 C ASP A 38 4.803 17.612 6.423 1.00 44.32 C ATOM 533 O ASP A 38 5.032 16.861 7.371 1.00 24.01 O ATOM 534 CB ASP A 38 2.694 18.634 7.299 1.00 71.33 C ATOM 535 CG ASP A 38 2.623 17.671 8.468 1.00 60.03 C ATOM 536 OD1 ASP A 38 1.935 16.636 8.343 1.00 24.33 O ATOM 537 OD2 ASP A 38 3.256 17.952 9.507 1.00 53.44 O ATOM 0 H ASP A 38 2.123 16.354 6.326 1.00 65.43 H new ATOM 0 HA ASP A 38 3.410 18.759 5.277 1.00 24.22 H new ATOM 0 HB2 ASP A 38 3.238 19.529 7.602 1.00 71.33 H new ATOM 0 HB3 ASP A 38 1.686 18.950 7.030 1.00 71.33 H new ATOM 542 N ILE A 39 5.760 18.113 5.649 1.00 50.53 N ATOM 543 CA ILE A 39 7.166 17.803 5.875 1.00 1.21 C ATOM 544 C ILE A 39 7.348 16.346 6.286 1.00 2.25 C ATOM 545 O ILE A 39 8.157 16.032 7.160 1.00 24.11 O ATOM 546 CB ILE A 39 7.775 18.711 6.960 1.00 43.12 C ATOM 547 CG1 ILE A 39 7.060 18.498 8.295 1.00 31.33 C ATOM 548 CG2 ILE A 39 7.694 20.170 6.536 1.00 0.13 C ATOM 549 CD1 ILE A 39 7.784 19.111 9.473 1.00 14.43 C ATOM 0 H ILE A 39 5.587 18.735 4.860 1.00 50.53 H new ATOM 0 HA ILE A 39 7.684 17.980 4.932 1.00 1.21 H new ATOM 0 HB ILE A 39 8.825 18.447 7.086 1.00 43.12 H new ATOM 0 HG12 ILE A 39 6.058 18.923 8.233 1.00 31.33 H new ATOM 0 HG13 ILE A 39 6.942 17.428 8.468 1.00 31.33 H new ATOM 0 HG21 ILE A 39 8.128 20.799 7.313 1.00 0.13 H new ATOM 0 HG22 ILE A 39 8.245 20.310 5.606 1.00 0.13 H new ATOM 0 HG23 ILE A 39 6.651 20.448 6.385 1.00 0.13 H new ATOM 0 HD11 ILE A 39 7.220 18.921 10.386 1.00 14.43 H new ATOM 0 HD12 ILE A 39 8.776 18.668 9.561 1.00 14.43 H new ATOM 0 HD13 ILE A 39 7.879 20.186 9.322 1.00 14.43 H new ATOM 561 N THR A 40 6.591 15.458 5.650 1.00 61.04 N ATOM 562 CA THR A 40 6.669 14.034 5.948 1.00 31.42 C ATOM 563 C THR A 40 8.025 13.462 5.550 1.00 75.42 C ATOM 564 O THR A 40 8.563 12.587 6.228 1.00 24.12 O ATOM 565 CB THR A 40 5.560 13.247 5.225 1.00 73.31 C ATOM 566 OG1 THR A 40 4.288 13.536 5.817 1.00 63.31 O ATOM 567 CG2 THR A 40 5.827 11.751 5.290 1.00 30.54 C ATOM 0 H THR A 40 5.916 15.700 4.925 1.00 61.04 H new ATOM 0 HA THR A 40 6.536 13.929 7.025 1.00 31.42 H new ATOM 0 HB THR A 40 5.551 13.553 4.179 1.00 73.31 H new ATOM 0 HG1 THR A 40 3.757 12.714 5.869 1.00 63.31 H new ATOM 0 HG21 THR A 40 5.030 11.216 4.773 1.00 30.54 H new ATOM 0 HG22 THR A 40 6.782 11.531 4.812 1.00 30.54 H new ATOM 0 HG23 THR A 40 5.861 11.432 6.332 1.00 30.54 H new ATOM 575 N ASP A 41 8.571 13.961 4.447 1.00 70.12 N ATOM 576 CA ASP A 41 9.866 13.500 3.959 1.00 52.31 C ATOM 577 C ASP A 41 10.996 14.349 4.533 1.00 50.13 C ATOM 578 O ASP A 41 12.157 14.188 4.158 1.00 51.35 O ATOM 579 CB ASP A 41 9.904 13.544 2.431 1.00 52.15 C ATOM 580 CG ASP A 41 9.960 12.161 1.813 1.00 71.31 C ATOM 581 OD1 ASP A 41 10.906 11.408 2.127 1.00 42.32 O ATOM 582 OD2 ASP A 41 9.057 11.830 1.016 1.00 0.04 O ATOM 0 H ASP A 41 8.137 14.685 3.874 1.00 70.12 H new ATOM 0 HA ASP A 41 10.006 12.470 4.288 1.00 52.31 H new ATOM 0 HB2 ASP A 41 9.021 14.067 2.064 1.00 52.15 H new ATOM 0 HB3 ASP A 41 10.773 14.118 2.108 1.00 52.15 H new ATOM 587 N GLN A 42 10.647 15.253 5.443 1.00 61.22 N ATOM 588 CA GLN A 42 11.633 16.128 6.067 1.00 74.15 C ATOM 589 C GLN A 42 12.443 16.874 5.012 1.00 64.53 C ATOM 590 O GLN A 42 13.515 16.424 4.604 1.00 35.44 O ATOM 591 CB GLN A 42 12.567 15.318 6.967 1.00 1.42 C ATOM 592 CG GLN A 42 12.205 15.391 8.442 1.00 51.42 C ATOM 593 CD GLN A 42 10.712 15.288 8.682 1.00 73.12 C ATOM 594 OE1 GLN A 42 10.117 14.222 8.517 1.00 41.20 O ATOM 595 NE2 GLN A 42 10.096 16.397 9.074 1.00 45.53 N ATOM 0 H GLN A 42 9.690 15.399 5.764 1.00 61.22 H new ATOM 0 HA GLN A 42 11.100 16.860 6.674 1.00 74.15 H new ATOM 0 HB2 GLN A 42 12.551 14.276 6.649 1.00 1.42 H new ATOM 0 HB3 GLN A 42 13.588 15.676 6.834 1.00 1.42 H new ATOM 0 HG2 GLN A 42 12.711 14.587 8.977 1.00 51.42 H new ATOM 0 HG3 GLN A 42 12.572 16.330 8.856 1.00 51.42 H new ATOM 0 HE21 GLN A 42 10.627 17.259 9.198 1.00 45.53 H new ATOM 0 HE22 GLN A 42 9.091 16.387 9.251 1.00 45.53 H new ATOM 604 N VAL A 43 11.925 18.016 4.573 1.00 43.25 N ATOM 605 CA VAL A 43 12.601 18.825 3.565 1.00 5.04 C ATOM 606 C VAL A 43 14.049 19.095 3.959 1.00 65.14 C ATOM 607 O VAL A 43 14.338 19.455 5.100 1.00 3.04 O ATOM 608 CB VAL A 43 11.881 20.169 3.348 1.00 30.04 C ATOM 609 CG1 VAL A 43 11.952 21.022 4.606 1.00 41.24 C ATOM 610 CG2 VAL A 43 12.477 20.907 2.159 1.00 20.40 C ATOM 0 H VAL A 43 11.039 18.402 4.899 1.00 43.25 H new ATOM 0 HA VAL A 43 12.580 18.256 2.636 1.00 5.04 H new ATOM 0 HB VAL A 43 10.831 19.968 3.133 1.00 30.04 H new ATOM 0 HG11 VAL A 43 11.438 21.968 4.434 1.00 41.24 H new ATOM 0 HG12 VAL A 43 11.474 20.494 5.431 1.00 41.24 H new ATOM 0 HG13 VAL A 43 12.995 21.216 4.856 1.00 41.24 H new ATOM 0 HG21 VAL A 43 11.956 21.854 2.020 1.00 20.40 H new ATOM 0 HG22 VAL A 43 13.534 21.098 2.342 1.00 20.40 H new ATOM 0 HG23 VAL A 43 12.368 20.298 1.261 1.00 20.40 H new ATOM 620 N THR A 44 14.959 18.919 3.005 1.00 52.02 N ATOM 621 CA THR A 44 16.378 19.143 3.251 1.00 73.31 C ATOM 622 C THR A 44 16.715 20.629 3.210 1.00 63.33 C ATOM 623 O THR A 44 16.413 21.317 2.235 1.00 71.54 O ATOM 624 CB THR A 44 17.250 18.401 2.221 1.00 63.11 C ATOM 625 OG1 THR A 44 16.533 17.284 1.685 1.00 74.22 O ATOM 626 CG2 THR A 44 18.546 17.920 2.856 1.00 44.11 C ATOM 0 H THR A 44 14.738 18.622 2.055 1.00 52.02 H new ATOM 0 HA THR A 44 16.592 18.752 4.246 1.00 73.31 H new ATOM 0 HB THR A 44 17.493 19.096 1.417 1.00 63.11 H new ATOM 0 HG1 THR A 44 17.094 16.819 1.030 1.00 74.22 H new ATOM 0 HG21 THR A 44 19.145 17.399 2.110 1.00 44.11 H new ATOM 0 HG22 THR A 44 19.104 18.775 3.237 1.00 44.11 H new ATOM 0 HG23 THR A 44 18.318 17.241 3.677 1.00 44.11 H new ATOM 634 N TRP A 45 17.344 21.117 4.273 1.00 54.22 N ATOM 635 CA TRP A 45 17.723 22.523 4.357 1.00 40.10 C ATOM 636 C TRP A 45 19.193 22.713 4.000 1.00 60.54 C ATOM 637 O TRP A 45 20.055 21.965 4.462 1.00 61.11 O ATOM 638 CB TRP A 45 17.454 23.062 5.763 1.00 74.11 C ATOM 639 CG TRP A 45 18.036 22.208 6.848 1.00 33.41 C ATOM 640 CD1 TRP A 45 17.425 21.168 7.489 1.00 13.03 C ATOM 641 CD2 TRP A 45 19.343 22.321 7.420 1.00 44.32 C ATOM 642 NE1 TRP A 45 18.274 20.629 8.425 1.00 31.43 N ATOM 643 CE2 TRP A 45 19.458 21.318 8.402 1.00 75.33 C ATOM 644 CE3 TRP A 45 20.430 23.172 7.197 1.00 74.45 C ATOM 645 CZ2 TRP A 45 20.614 21.145 9.158 1.00 73.43 C ATOM 646 CZ3 TRP A 45 21.576 22.999 7.948 1.00 63.30 C ATOM 647 CH2 TRP A 45 21.662 21.991 8.918 1.00 13.43 C ATOM 0 H TRP A 45 17.602 20.561 5.088 1.00 54.22 H new ATOM 0 HA TRP A 45 17.119 23.079 3.640 1.00 40.10 H new ATOM 0 HB2 TRP A 45 17.865 24.069 5.843 1.00 74.11 H new ATOM 0 HB3 TRP A 45 16.378 23.144 5.913 1.00 74.11 H new ATOM 0 HD1 TRP A 45 16.422 20.821 7.289 1.00 13.03 H new ATOM 0 HE1 TRP A 45 18.058 19.843 9.038 1.00 31.43 H new ATOM 0 HE3 TRP A 45 20.374 23.951 6.451 1.00 74.45 H new ATOM 0 HZ2 TRP A 45 20.681 20.370 9.907 1.00 73.43 H new ATOM 0 HZ3 TRP A 45 22.421 23.652 7.785 1.00 63.30 H new ATOM 0 HH2 TRP A 45 22.573 21.880 9.487 1.00 13.43 H new ATOM 658 N ASP A 46 19.472 23.716 3.175 1.00 23.11 N ATOM 659 CA ASP A 46 20.839 24.004 2.757 1.00 44.01 C ATOM 660 C ASP A 46 21.007 25.485 2.432 1.00 65.02 C ATOM 661 O ASP A 46 20.098 26.121 1.899 1.00 61.21 O ATOM 662 CB ASP A 46 21.212 23.156 1.540 1.00 45.43 C ATOM 663 CG ASP A 46 22.639 23.394 1.084 1.00 32.21 C ATOM 664 OD1 ASP A 46 22.854 24.307 0.259 1.00 24.32 O ATOM 665 OD2 ASP A 46 23.540 22.667 1.553 1.00 54.41 O ATOM 0 H ASP A 46 18.770 24.343 2.782 1.00 23.11 H new ATOM 0 HA ASP A 46 21.506 23.754 3.582 1.00 44.01 H new ATOM 0 HB2 ASP A 46 21.082 22.101 1.782 1.00 45.43 H new ATOM 0 HB3 ASP A 46 20.529 23.381 0.721 1.00 45.43 H new ATOM 670 N SER A 47 22.176 26.028 2.757 1.00 2.23 N ATOM 671 CA SER A 47 22.462 27.436 2.504 1.00 32.44 C ATOM 672 C SER A 47 23.781 27.596 1.755 1.00 40.10 C ATOM 673 O SER A 47 24.700 26.793 1.915 1.00 2.21 O ATOM 674 CB SER A 47 22.513 28.212 3.822 1.00 52.14 C ATOM 675 OG SER A 47 23.764 28.043 4.465 1.00 0.40 O ATOM 0 H SER A 47 22.940 25.515 3.196 1.00 2.23 H new ATOM 0 HA SER A 47 21.661 27.839 1.884 1.00 32.44 H new ATOM 0 HB2 SER A 47 22.339 29.271 3.631 1.00 52.14 H new ATOM 0 HB3 SER A 47 21.713 27.871 4.480 1.00 52.14 H new ATOM 0 HG SER A 47 23.623 27.917 5.427 1.00 0.40 H new ATOM 681 N SER A 48 23.866 28.639 0.936 1.00 51.51 N ATOM 682 CA SER A 48 25.070 28.905 0.158 1.00 64.51 C ATOM 683 C SER A 48 26.210 29.367 1.061 1.00 33.02 C ATOM 684 O SER A 48 27.377 29.329 0.675 1.00 40.02 O ATOM 685 CB SER A 48 24.790 29.963 -0.911 1.00 22.41 C ATOM 686 OG SER A 48 25.472 29.663 -2.116 1.00 61.14 O ATOM 0 H SER A 48 23.115 29.314 0.794 1.00 51.51 H new ATOM 0 HA SER A 48 25.369 27.977 -0.330 1.00 64.51 H new ATOM 0 HB2 SER A 48 23.718 30.018 -1.100 1.00 22.41 H new ATOM 0 HB3 SER A 48 25.101 30.943 -0.548 1.00 22.41 H new ATOM 0 HG SER A 48 25.276 30.353 -2.784 1.00 61.14 H new ATOM 692 N ASN A 49 25.860 29.804 2.267 1.00 65.31 N ATOM 693 CA ASN A 49 26.853 30.275 3.226 1.00 31.43 C ATOM 694 C ASN A 49 27.535 31.544 2.725 1.00 62.45 C ATOM 695 O ASN A 49 27.610 31.787 1.520 1.00 41.53 O ATOM 696 CB ASN A 49 27.899 29.188 3.485 1.00 75.03 C ATOM 697 CG ASN A 49 28.662 29.415 4.775 1.00 13.34 C ATOM 698 OD1 ASN A 49 29.853 29.727 4.759 1.00 75.03 O ATOM 699 ND2 ASN A 49 27.977 29.260 5.903 1.00 61.54 N ATOM 0 H ASN A 49 24.898 29.842 2.603 1.00 65.31 H new ATOM 0 HA ASN A 49 26.339 30.505 4.159 1.00 31.43 H new ATOM 0 HB2 ASN A 49 27.407 28.216 3.523 1.00 75.03 H new ATOM 0 HB3 ASN A 49 28.601 29.157 2.652 1.00 75.03 H new ATOM 0 HD21 ASN A 49 28.437 29.400 6.802 1.00 61.54 H new ATOM 0 HD22 ASN A 49 26.991 29.001 5.869 1.00 61.54 H new ATOM 706 N THR A 50 28.033 32.350 3.657 1.00 31.12 N ATOM 707 CA THR A 50 28.709 33.594 3.311 1.00 74.22 C ATOM 708 C THR A 50 29.735 33.975 4.371 1.00 44.41 C ATOM 709 O THR A 50 30.941 33.843 4.157 1.00 34.35 O ATOM 710 CB THR A 50 27.705 34.751 3.144 1.00 22.34 C ATOM 711 OG1 THR A 50 26.780 34.450 2.094 1.00 63.55 O ATOM 712 CG2 THR A 50 28.427 36.053 2.833 1.00 25.14 C ATOM 0 H THR A 50 27.981 32.163 4.658 1.00 31.12 H new ATOM 0 HA THR A 50 29.218 33.424 2.362 1.00 74.22 H new ATOM 0 HB THR A 50 27.162 34.870 4.082 1.00 22.34 H new ATOM 0 HG1 THR A 50 26.606 35.259 1.569 1.00 63.55 H new ATOM 0 HG21 THR A 50 27.698 36.855 2.719 1.00 25.14 H new ATOM 0 HG22 THR A 50 29.109 36.295 3.649 1.00 25.14 H new ATOM 0 HG23 THR A 50 28.993 35.943 1.908 1.00 25.14 H new ATOM 720 N ASP A 51 29.251 34.449 5.514 1.00 70.05 N ATOM 721 CA ASP A 51 30.127 34.848 6.608 1.00 5.35 C ATOM 722 C ASP A 51 29.816 34.053 7.872 1.00 34.41 C ATOM 723 O ASP A 51 30.721 33.649 8.602 1.00 23.51 O ATOM 724 CB ASP A 51 29.983 36.346 6.885 1.00 25.42 C ATOM 725 CG ASP A 51 31.324 37.039 7.029 1.00 12.34 C ATOM 726 OD1 ASP A 51 32.212 36.797 6.185 1.00 32.53 O ATOM 727 OD2 ASP A 51 31.485 37.826 7.986 1.00 75.41 O ATOM 0 H ASP A 51 28.256 34.566 5.706 1.00 70.05 H new ATOM 0 HA ASP A 51 31.155 34.638 6.312 1.00 5.35 H new ATOM 0 HB2 ASP A 51 29.422 36.810 6.074 1.00 25.42 H new ATOM 0 HB3 ASP A 51 29.403 36.490 7.797 1.00 25.42 H new ATOM 732 N ILE A 52 28.530 33.832 8.124 1.00 12.41 N ATOM 733 CA ILE A 52 28.099 33.085 9.299 1.00 2.23 C ATOM 734 C ILE A 52 26.584 32.916 9.318 1.00 11.14 C ATOM 735 O ILE A 52 25.851 33.825 9.711 1.00 5.33 O ATOM 736 CB ILE A 52 28.544 33.778 10.601 1.00 54.21 C ATOM 737 CG1 ILE A 52 27.909 33.092 11.812 1.00 14.02 C ATOM 738 CG2 ILE A 52 28.175 35.254 10.568 1.00 62.12 C ATOM 739 CD1 ILE A 52 28.197 31.609 11.887 1.00 45.11 C ATOM 0 H ILE A 52 27.768 34.160 7.530 1.00 12.41 H new ATOM 0 HA ILE A 52 28.570 32.104 9.240 1.00 2.23 H new ATOM 0 HB ILE A 52 29.627 33.696 10.687 1.00 54.21 H new ATOM 0 HG12 ILE A 52 28.271 33.571 12.722 1.00 14.02 H new ATOM 0 HG13 ILE A 52 26.830 33.243 11.780 1.00 14.02 H new ATOM 0 HG21 ILE A 52 28.496 35.730 11.495 1.00 62.12 H new ATOM 0 HG22 ILE A 52 28.669 35.734 9.723 1.00 62.12 H new ATOM 0 HG23 ILE A 52 27.095 35.357 10.462 1.00 62.12 H new ATOM 0 HD11 ILE A 52 27.716 31.189 12.770 1.00 45.11 H new ATOM 0 HD12 ILE A 52 27.810 31.118 10.994 1.00 45.11 H new ATOM 0 HD13 ILE A 52 29.273 31.450 11.950 1.00 45.11 H new ATOM 751 N LEU A 53 26.119 31.746 8.893 1.00 4.35 N ATOM 752 CA LEU A 53 24.690 31.456 8.863 1.00 21.03 C ATOM 753 C LEU A 53 24.431 29.972 9.104 1.00 54.25 C ATOM 754 O LEU A 53 25.145 29.115 8.585 1.00 64.13 O ATOM 755 CB LEU A 53 24.092 31.879 7.520 1.00 11.15 C ATOM 756 CG LEU A 53 24.819 31.376 6.273 1.00 24.22 C ATOM 757 CD1 LEU A 53 23.825 30.833 5.258 1.00 5.30 C ATOM 758 CD2 LEU A 53 25.658 32.488 5.660 1.00 70.42 C ATOM 0 H LEU A 53 26.711 30.983 8.565 1.00 4.35 H new ATOM 0 HA LEU A 53 24.212 32.024 9.661 1.00 21.03 H new ATOM 0 HB2 LEU A 53 23.060 31.531 7.479 1.00 11.15 H new ATOM 0 HB3 LEU A 53 24.063 32.968 7.485 1.00 11.15 H new ATOM 0 HG LEU A 53 25.486 30.565 6.566 1.00 24.22 H new ATOM 0 HD11 LEU A 53 24.361 30.480 4.377 1.00 5.30 H new ATOM 0 HD12 LEU A 53 23.268 30.007 5.700 1.00 5.30 H new ATOM 0 HD13 LEU A 53 23.132 31.623 4.968 1.00 5.30 H new ATOM 0 HD21 LEU A 53 26.168 32.112 4.773 1.00 70.42 H new ATOM 0 HD22 LEU A 53 25.011 33.320 5.381 1.00 70.42 H new ATOM 0 HD23 LEU A 53 26.396 32.829 6.386 1.00 70.42 H new ATOM 770 N SER A 54 23.402 29.677 9.892 1.00 60.42 N ATOM 771 CA SER A 54 23.049 28.296 10.202 1.00 12.32 C ATOM 772 C SER A 54 21.538 28.095 10.141 1.00 54.34 C ATOM 773 O SER A 54 20.771 28.914 10.648 1.00 14.12 O ATOM 774 CB SER A 54 23.569 27.914 11.589 1.00 64.20 C ATOM 775 OG SER A 54 23.725 26.510 11.706 1.00 44.21 O ATOM 0 H SER A 54 22.799 30.375 10.327 1.00 60.42 H new ATOM 0 HA SER A 54 23.515 27.652 9.456 1.00 12.32 H new ATOM 0 HB2 SER A 54 24.525 28.406 11.771 1.00 64.20 H new ATOM 0 HB3 SER A 54 22.877 28.271 12.351 1.00 64.20 H new ATOM 0 HG SER A 54 24.060 26.292 12.601 1.00 44.21 H new ATOM 781 N ILE A 55 21.118 27.001 9.515 1.00 32.45 N ATOM 782 CA ILE A 55 19.699 26.691 9.388 1.00 22.20 C ATOM 783 C ILE A 55 19.349 25.403 10.126 1.00 2.33 C ATOM 784 O ILE A 55 20.012 24.380 9.958 1.00 33.43 O ATOM 785 CB ILE A 55 19.284 26.552 7.912 1.00 73.14 C ATOM 786 CG1 ILE A 55 19.779 27.754 7.105 1.00 55.04 C ATOM 787 CG2 ILE A 55 17.773 26.416 7.797 1.00 32.11 C ATOM 788 CD1 ILE A 55 19.410 27.691 5.639 1.00 54.11 C ATOM 0 H ILE A 55 21.740 26.314 9.088 1.00 32.45 H new ATOM 0 HA ILE A 55 19.153 27.522 9.834 1.00 22.20 H new ATOM 0 HB ILE A 55 19.742 25.651 7.504 1.00 73.14 H new ATOM 0 HG12 ILE A 55 19.366 28.666 7.536 1.00 55.04 H new ATOM 0 HG13 ILE A 55 20.863 27.821 7.196 1.00 55.04 H new ATOM 0 HG21 ILE A 55 17.495 26.319 6.747 1.00 32.11 H new ATOM 0 HG22 ILE A 55 17.445 25.531 8.343 1.00 32.11 H new ATOM 0 HG23 ILE A 55 17.295 27.300 8.218 1.00 32.11 H new ATOM 0 HD11 ILE A 55 19.793 28.575 5.129 1.00 54.11 H new ATOM 0 HD12 ILE A 55 19.845 26.797 5.192 1.00 54.11 H new ATOM 0 HD13 ILE A 55 18.325 27.655 5.538 1.00 54.11 H new ATOM 800 N SER A 56 18.302 25.462 10.943 1.00 24.13 N ATOM 801 CA SER A 56 17.865 24.301 11.709 1.00 34.13 C ATOM 802 C SER A 56 16.401 23.980 11.421 1.00 63.12 C ATOM 803 O SER A 56 15.507 24.758 11.751 1.00 63.11 O ATOM 804 CB SER A 56 18.059 24.549 13.207 1.00 74.45 C ATOM 805 OG SER A 56 19.427 24.744 13.518 1.00 22.20 O ATOM 0 H SER A 56 17.741 26.301 11.091 1.00 24.13 H new ATOM 0 HA SER A 56 18.473 23.448 11.407 1.00 34.13 H new ATOM 0 HB2 SER A 56 17.485 25.424 13.511 1.00 74.45 H new ATOM 0 HB3 SER A 56 17.671 23.702 13.772 1.00 74.45 H new ATOM 0 HG SER A 56 19.524 24.902 14.480 1.00 22.20 H new ATOM 811 N ASN A 57 16.166 22.828 10.802 1.00 33.50 N ATOM 812 CA ASN A 57 14.811 22.402 10.468 1.00 42.53 C ATOM 813 C ASN A 57 14.629 20.911 10.731 1.00 73.23 C ATOM 814 O ASN A 57 14.688 20.096 9.810 1.00 3.13 O ATOM 815 CB ASN A 57 14.504 22.715 9.002 1.00 75.21 C ATOM 816 CG ASN A 57 13.119 22.253 8.591 1.00 53.23 C ATOM 817 OD1 ASN A 57 12.146 22.445 9.321 1.00 62.32 O ATOM 818 ND2 ASN A 57 13.024 21.641 7.416 1.00 32.01 N ATOM 0 H ASN A 57 16.895 22.173 10.521 1.00 33.50 H new ATOM 0 HA ASN A 57 14.116 22.951 11.103 1.00 42.53 H new ATOM 0 HB2 ASN A 57 14.590 23.789 8.837 1.00 75.21 H new ATOM 0 HB3 ASN A 57 15.248 22.234 8.367 1.00 75.21 H new ATOM 0 HD21 ASN A 57 12.118 21.309 7.086 1.00 32.01 H new ATOM 0 HD22 ASN A 57 13.857 21.503 6.844 1.00 32.01 H new ATOM 825 N ALA A 58 14.406 20.561 11.993 1.00 15.02 N ATOM 826 CA ALA A 58 14.212 19.168 12.377 1.00 15.32 C ATOM 827 C ALA A 58 14.013 19.037 13.883 1.00 20.34 C ATOM 828 O ALA A 58 13.300 18.148 14.350 1.00 41.21 O ATOM 829 CB ALA A 58 15.394 18.326 11.923 1.00 5.02 C ATOM 0 H ALA A 58 14.355 21.223 12.767 1.00 15.02 H new ATOM 0 HA ALA A 58 13.311 18.803 11.885 1.00 15.32 H new ATOM 0 HB1 ALA A 58 15.236 17.288 12.216 1.00 5.02 H new ATOM 0 HB2 ALA A 58 15.488 18.386 10.839 1.00 5.02 H new ATOM 0 HB3 ALA A 58 16.307 18.699 12.388 1.00 5.02 H new ATOM 835 N SER A 59 14.649 19.926 14.639 1.00 14.24 N ATOM 836 CA SER A 59 14.545 19.906 16.094 1.00 42.32 C ATOM 837 C SER A 59 13.085 19.924 16.535 1.00 52.41 C ATOM 838 O SER A 59 12.752 19.489 17.637 1.00 5.15 O ATOM 839 CB SER A 59 15.286 21.102 16.695 1.00 23.14 C ATOM 840 OG SER A 59 15.239 22.221 15.827 1.00 61.31 O ATOM 0 H SER A 59 15.242 20.669 14.269 1.00 14.24 H new ATOM 0 HA SER A 59 15.003 18.985 16.454 1.00 42.32 H new ATOM 0 HB2 SER A 59 14.841 21.364 17.655 1.00 23.14 H new ATOM 0 HB3 SER A 59 16.324 20.831 16.888 1.00 23.14 H new ATOM 0 HG SER A 59 15.718 22.972 16.235 1.00 61.31 H new ATOM 846 N ASP A 60 12.217 20.431 15.666 1.00 44.22 N ATOM 847 CA ASP A 60 10.792 20.506 15.964 1.00 73.13 C ATOM 848 C ASP A 60 9.961 20.077 14.758 1.00 25.30 C ATOM 849 O ASP A 60 9.267 19.061 14.800 1.00 42.12 O ATOM 850 CB ASP A 60 10.410 21.927 16.382 1.00 61.24 C ATOM 851 CG ASP A 60 8.910 22.112 16.499 1.00 1.54 C ATOM 852 OD1 ASP A 60 8.212 21.124 16.810 1.00 41.23 O ATOM 853 OD2 ASP A 60 8.434 23.246 16.282 1.00 1.23 O ATOM 0 H ASP A 60 12.476 20.796 14.749 1.00 44.22 H new ATOM 0 HA ASP A 60 10.583 19.824 16.788 1.00 73.13 H new ATOM 0 HB2 ASP A 60 10.878 22.159 17.339 1.00 61.24 H new ATOM 0 HB3 ASP A 60 10.805 22.635 15.654 1.00 61.24 H new ATOM 858 N SER A 61 10.037 20.858 13.685 1.00 24.22 N ATOM 859 CA SER A 61 9.289 20.561 12.469 1.00 1.33 C ATOM 860 C SER A 61 9.461 21.675 11.440 1.00 21.35 C ATOM 861 O SER A 61 9.991 21.453 10.351 1.00 75.20 O ATOM 862 CB SER A 61 7.805 20.374 12.791 1.00 23.23 C ATOM 863 OG SER A 61 7.364 21.331 13.738 1.00 10.14 O ATOM 0 H SER A 61 10.609 21.701 13.633 1.00 24.22 H new ATOM 0 HA SER A 61 9.682 19.636 12.047 1.00 1.33 H new ATOM 0 HB2 SER A 61 7.217 20.464 11.877 1.00 23.23 H new ATOM 0 HB3 SER A 61 7.638 19.369 13.180 1.00 23.23 H new ATOM 0 HG SER A 61 6.412 21.191 13.926 1.00 10.14 H new ATOM 869 N HIS A 62 9.010 22.874 11.794 1.00 33.24 N ATOM 870 CA HIS A 62 9.114 24.024 10.903 1.00 74.41 C ATOM 871 C HIS A 62 10.574 24.398 10.667 1.00 73.23 C ATOM 872 O HIS A 62 11.424 24.199 11.533 1.00 32.05 O ATOM 873 CB HIS A 62 8.357 25.218 11.486 1.00 72.53 C ATOM 874 CG HIS A 62 7.772 26.122 10.445 1.00 43.11 C ATOM 875 ND1 HIS A 62 6.419 26.204 10.193 1.00 10.34 N ATOM 876 CD2 HIS A 62 8.366 26.988 9.590 1.00 34.12 C ATOM 877 CE1 HIS A 62 6.205 27.080 9.228 1.00 43.30 C ATOM 878 NE2 HIS A 62 7.370 27.571 8.845 1.00 63.42 N ATOM 0 H HIS A 62 8.569 23.075 12.692 1.00 33.24 H new ATOM 0 HA HIS A 62 8.668 23.753 9.946 1.00 74.41 H new ATOM 0 HB2 HIS A 62 7.557 24.852 12.129 1.00 72.53 H new ATOM 0 HB3 HIS A 62 9.034 25.794 12.117 1.00 72.53 H new ATOM 0 HD2 HIS A 62 9.425 27.184 9.509 1.00 34.12 H new ATOM 0 HE1 HIS A 62 5.241 27.349 8.821 1.00 43.30 H new ATOM 0 HE2 HIS A 62 7.508 28.270 8.115 1.00 63.42 H new ATOM 886 N GLY A 63 10.857 24.940 9.486 1.00 3.23 N ATOM 887 CA GLY A 63 12.215 25.332 9.157 1.00 2.42 C ATOM 888 C GLY A 63 12.545 26.734 9.630 1.00 14.35 C ATOM 889 O GLY A 63 11.679 27.611 9.649 1.00 65.12 O ATOM 0 H GLY A 63 10.171 25.114 8.752 1.00 3.23 H new ATOM 0 HA2 GLY A 63 12.913 24.626 9.608 1.00 2.42 H new ATOM 0 HA3 GLY A 63 12.355 25.274 8.078 1.00 2.42 H new ATOM 893 N LEU A 64 13.798 26.948 10.016 1.00 31.50 N ATOM 894 CA LEU A 64 14.240 28.253 10.494 1.00 53.22 C ATOM 895 C LEU A 64 15.687 28.519 10.092 1.00 71.05 C ATOM 896 O LEU A 64 16.572 27.703 10.345 1.00 31.52 O ATOM 897 CB LEU A 64 14.098 28.337 12.015 1.00 74.45 C ATOM 898 CG LEU A 64 12.893 27.613 12.617 1.00 72.23 C ATOM 899 CD1 LEU A 64 13.228 26.155 12.890 1.00 31.23 C ATOM 900 CD2 LEU A 64 12.437 28.306 13.893 1.00 64.22 C ATOM 0 H LEU A 64 14.526 26.234 10.007 1.00 31.50 H new ATOM 0 HA LEU A 64 13.609 29.013 10.034 1.00 53.22 H new ATOM 0 HB2 LEU A 64 15.003 27.932 12.467 1.00 74.45 H new ATOM 0 HB3 LEU A 64 14.043 29.388 12.297 1.00 74.45 H new ATOM 0 HG LEU A 64 12.076 27.648 11.897 1.00 72.23 H new ATOM 0 HD11 LEU A 64 12.359 25.656 13.318 1.00 31.23 H new ATOM 0 HD12 LEU A 64 13.505 25.664 11.957 1.00 31.23 H new ATOM 0 HD13 LEU A 64 14.061 26.098 13.591 1.00 31.23 H new ATOM 0 HD21 LEU A 64 11.579 27.777 14.307 1.00 64.22 H new ATOM 0 HD22 LEU A 64 13.250 28.303 14.619 1.00 64.22 H new ATOM 0 HD23 LEU A 64 12.155 29.335 13.668 1.00 64.22 H new ATOM 912 N ALA A 65 15.920 29.668 9.465 1.00 71.52 N ATOM 913 CA ALA A 65 17.260 30.043 9.031 1.00 0.05 C ATOM 914 C ALA A 65 17.737 31.301 9.750 1.00 21.41 C ATOM 915 O ALA A 65 17.101 32.351 9.672 1.00 55.25 O ATOM 916 CB ALA A 65 17.289 30.251 7.525 1.00 54.05 C ATOM 0 H ALA A 65 15.198 30.355 9.247 1.00 71.52 H new ATOM 0 HA ALA A 65 17.939 29.229 9.287 1.00 0.05 H new ATOM 0 HB1 ALA A 65 18.296 30.531 7.216 1.00 54.05 H new ATOM 0 HB2 ALA A 65 16.999 29.327 7.024 1.00 54.05 H new ATOM 0 HB3 ALA A 65 16.593 31.045 7.254 1.00 54.05 H new ATOM 922 N SER A 66 18.861 31.186 10.451 1.00 73.20 N ATOM 923 CA SER A 66 19.421 32.313 11.188 1.00 75.14 C ATOM 924 C SER A 66 20.713 32.798 10.538 1.00 0.13 C ATOM 925 O SER A 66 21.646 32.023 10.329 1.00 64.43 O ATOM 926 CB SER A 66 19.684 31.918 12.642 1.00 10.51 C ATOM 927 OG SER A 66 19.596 33.043 13.499 1.00 3.45 O ATOM 0 H SER A 66 19.401 30.324 10.524 1.00 73.20 H new ATOM 0 HA SER A 66 18.696 33.127 11.166 1.00 75.14 H new ATOM 0 HB2 SER A 66 18.963 31.162 12.953 1.00 10.51 H new ATOM 0 HB3 SER A 66 20.673 31.468 12.727 1.00 10.51 H new ATOM 0 HG SER A 66 19.766 32.764 14.423 1.00 3.45 H new ATOM 933 N THR A 67 20.761 34.088 10.221 1.00 14.42 N ATOM 934 CA THR A 67 21.937 34.679 9.595 1.00 73.43 C ATOM 935 C THR A 67 22.514 35.797 10.454 1.00 43.40 C ATOM 936 O THR A 67 21.785 36.481 11.174 1.00 21.43 O ATOM 937 CB THR A 67 21.608 35.237 8.197 1.00 0.44 C ATOM 938 OG1 THR A 67 22.815 35.607 7.521 1.00 30.13 O ATOM 939 CG2 THR A 67 20.688 36.445 8.300 1.00 23.20 C ATOM 0 H THR A 67 19.998 34.744 10.388 1.00 14.42 H new ATOM 0 HA THR A 67 22.676 33.884 9.496 1.00 73.43 H new ATOM 0 HB THR A 67 21.098 34.459 7.629 1.00 0.44 H new ATOM 0 HG1 THR A 67 22.695 35.498 6.555 1.00 30.13 H new ATOM 0 HG21 THR A 67 20.469 36.822 7.301 1.00 23.20 H new ATOM 0 HG22 THR A 67 19.759 36.154 8.789 1.00 23.20 H new ATOM 0 HG23 THR A 67 21.176 37.226 8.884 1.00 23.20 H new ATOM 947 N LEU A 68 23.828 35.981 10.374 1.00 75.34 N ATOM 948 CA LEU A 68 24.504 37.019 11.144 1.00 33.41 C ATOM 949 C LEU A 68 25.675 37.603 10.361 1.00 71.44 C ATOM 950 O LEU A 68 26.772 37.762 10.893 1.00 44.22 O ATOM 951 CB LEU A 68 24.998 36.452 12.476 1.00 24.11 C ATOM 952 CG LEU A 68 24.026 35.533 13.217 1.00 44.10 C ATOM 953 CD1 LEU A 68 24.183 34.097 12.743 1.00 61.42 C ATOM 954 CD2 LEU A 68 24.244 35.627 14.720 1.00 2.21 C ATOM 0 H LEU A 68 24.446 35.425 9.783 1.00 75.34 H new ATOM 0 HA LEU A 68 23.788 37.817 11.339 1.00 33.41 H new ATOM 0 HB2 LEU A 68 25.920 35.900 12.293 1.00 24.11 H new ATOM 0 HB3 LEU A 68 25.250 37.286 13.132 1.00 24.11 H new ATOM 0 HG LEU A 68 23.009 35.858 12.996 1.00 44.10 H new ATOM 0 HD11 LEU A 68 23.483 33.458 13.281 1.00 61.42 H new ATOM 0 HD12 LEU A 68 23.976 34.042 11.674 1.00 61.42 H new ATOM 0 HD13 LEU A 68 25.202 33.760 12.933 1.00 61.42 H new ATOM 0 HD21 LEU A 68 23.544 34.966 15.231 1.00 2.21 H new ATOM 0 HD22 LEU A 68 25.265 35.329 14.959 1.00 2.21 H new ATOM 0 HD23 LEU A 68 24.080 36.653 15.048 1.00 2.21 H new ATOM 966 N ASN A 69 25.432 37.922 9.093 1.00 21.44 N ATOM 967 CA ASN A 69 26.466 38.490 8.237 1.00 64.14 C ATOM 968 C ASN A 69 25.928 39.683 7.453 1.00 44.04 C ATOM 969 O ASN A 69 24.740 39.997 7.520 1.00 63.12 O ATOM 970 CB ASN A 69 26.998 37.429 7.271 1.00 20.20 C ATOM 971 CG ASN A 69 25.962 37.009 6.246 1.00 22.32 C ATOM 972 OD1 ASN A 69 25.724 37.712 5.264 1.00 61.52 O ATOM 973 ND2 ASN A 69 25.340 35.857 6.472 1.00 42.35 N ATOM 0 H ASN A 69 24.528 37.797 8.637 1.00 21.44 H new ATOM 0 HA ASN A 69 27.281 38.834 8.874 1.00 64.14 H new ATOM 0 HB2 ASN A 69 27.877 37.818 6.757 1.00 20.20 H new ATOM 0 HB3 ASN A 69 27.320 36.555 7.837 1.00 20.20 H new ATOM 0 HD21 ASN A 69 24.633 35.522 5.818 1.00 42.35 H new ATOM 0 HD22 ASN A 69 25.570 35.307 7.300 1.00 42.35 H new ATOM 980 N GLN A 70 26.811 40.343 6.710 1.00 63.22 N ATOM 981 CA GLN A 70 26.425 41.501 5.913 1.00 14.22 C ATOM 982 C GLN A 70 26.543 41.201 4.423 1.00 61.14 C ATOM 983 O GLN A 70 27.223 41.915 3.687 1.00 25.04 O ATOM 984 CB GLN A 70 27.294 42.707 6.273 1.00 11.31 C ATOM 985 CG GLN A 70 28.784 42.449 6.123 1.00 45.52 C ATOM 986 CD GLN A 70 29.590 43.729 6.014 1.00 40.11 C ATOM 987 OE1 GLN A 70 29.773 44.447 6.997 1.00 14.05 O ATOM 988 NE2 GLN A 70 30.078 44.022 4.814 1.00 74.31 N ATOM 0 H GLN A 70 27.798 40.095 6.644 1.00 63.22 H new ATOM 0 HA GLN A 70 25.384 41.733 6.136 1.00 14.22 H new ATOM 0 HB2 GLN A 70 27.014 43.548 5.639 1.00 11.31 H new ATOM 0 HB3 GLN A 70 27.086 43.000 7.302 1.00 11.31 H new ATOM 0 HG2 GLN A 70 29.137 41.874 6.979 1.00 45.52 H new ATOM 0 HG3 GLN A 70 28.956 41.839 5.236 1.00 45.52 H new ATOM 0 HE21 GLN A 70 29.902 43.399 4.026 1.00 74.31 H new ATOM 0 HE22 GLN A 70 30.628 44.870 4.681 1.00 74.31 H new ATOM 997 N GLY A 71 25.876 40.138 3.983 1.00 13.10 N ATOM 998 CA GLY A 71 25.920 39.762 2.582 1.00 31.42 C ATOM 999 C GLY A 71 24.667 39.033 2.138 1.00 62.11 C ATOM 1000 O GLY A 71 23.678 38.983 2.868 1.00 25.21 O ATOM 0 H GLY A 71 25.306 39.531 4.572 1.00 13.10 H new ATOM 0 HA2 GLY A 71 26.051 40.656 1.973 1.00 31.42 H new ATOM 0 HA3 GLY A 71 26.788 39.126 2.407 1.00 31.42 H new ATOM 1004 N ASN A 72 24.708 38.468 0.936 1.00 63.53 N ATOM 1005 CA ASN A 72 23.566 37.740 0.394 1.00 65.30 C ATOM 1006 C ASN A 72 23.863 36.245 0.312 1.00 41.41 C ATOM 1007 O ASN A 72 24.955 35.839 -0.087 1.00 13.14 O ATOM 1008 CB ASN A 72 23.204 38.276 -0.992 1.00 45.14 C ATOM 1009 CG ASN A 72 24.425 38.704 -1.784 1.00 24.41 C ATOM 1010 OD1 ASN A 72 24.958 37.938 -2.587 1.00 75.44 O ATOM 1011 ND2 ASN A 72 24.875 39.933 -1.559 1.00 64.42 N ATOM 0 H ASN A 72 25.519 38.500 0.319 1.00 63.53 H new ATOM 0 HA ASN A 72 22.720 37.888 1.066 1.00 65.30 H new ATOM 0 HB2 ASN A 72 22.666 37.507 -1.547 1.00 45.14 H new ATOM 0 HB3 ASN A 72 22.528 39.124 -0.885 1.00 45.14 H new ATOM 0 HD21 ASN A 72 25.694 40.276 -2.061 1.00 64.42 H new ATOM 0 HD22 ASN A 72 24.402 40.534 -0.884 1.00 64.42 H new ATOM 1018 N VAL A 73 22.883 35.431 0.691 1.00 1.33 N ATOM 1019 CA VAL A 73 23.038 33.982 0.659 1.00 33.11 C ATOM 1020 C VAL A 73 21.902 33.325 -0.118 1.00 1.23 C ATOM 1021 O VAL A 73 20.839 33.918 -0.306 1.00 24.21 O ATOM 1022 CB VAL A 73 23.082 33.391 2.081 1.00 72.53 C ATOM 1023 CG1 VAL A 73 23.640 31.976 2.054 1.00 61.14 C ATOM 1024 CG2 VAL A 73 23.904 34.279 3.002 1.00 52.43 C ATOM 0 H VAL A 73 21.973 35.751 1.024 1.00 1.33 H new ATOM 0 HA VAL A 73 23.984 33.775 0.158 1.00 33.11 H new ATOM 0 HB VAL A 73 22.064 33.348 2.469 1.00 72.53 H new ATOM 0 HG11 VAL A 73 23.664 31.575 3.067 1.00 61.14 H new ATOM 0 HG12 VAL A 73 23.006 31.347 1.429 1.00 61.14 H new ATOM 0 HG13 VAL A 73 24.651 31.991 1.646 1.00 61.14 H new ATOM 0 HG21 VAL A 73 23.924 33.846 4.002 1.00 52.43 H new ATOM 0 HG22 VAL A 73 24.922 34.357 2.620 1.00 52.43 H new ATOM 0 HG23 VAL A 73 23.456 35.272 3.045 1.00 52.43 H new ATOM 1034 N LYS A 74 22.133 32.096 -0.567 1.00 43.40 N ATOM 1035 CA LYS A 74 21.130 31.356 -1.323 1.00 12.04 C ATOM 1036 C LYS A 74 20.730 30.079 -0.590 1.00 54.41 C ATOM 1037 O LYS A 74 21.551 29.185 -0.387 1.00 74.34 O ATOM 1038 CB LYS A 74 21.662 31.012 -2.716 1.00 32.03 C ATOM 1039 CG LYS A 74 20.596 30.485 -3.661 1.00 31.23 C ATOM 1040 CD LYS A 74 19.679 31.596 -4.143 1.00 41.50 C ATOM 1041 CE LYS A 74 19.376 31.464 -5.628 1.00 32.14 C ATOM 1042 NZ LYS A 74 20.157 32.436 -6.442 1.00 75.21 N ATOM 0 H LYS A 74 23.007 31.591 -0.420 1.00 43.40 H new ATOM 0 HA LYS A 74 20.248 31.988 -1.424 1.00 12.04 H new ATOM 0 HB2 LYS A 74 22.115 31.902 -3.153 1.00 32.03 H new ATOM 0 HB3 LYS A 74 22.452 30.267 -2.620 1.00 32.03 H new ATOM 0 HG2 LYS A 74 21.072 30.008 -4.518 1.00 31.23 H new ATOM 0 HG3 LYS A 74 20.007 29.719 -3.156 1.00 31.23 H new ATOM 0 HD2 LYS A 74 18.748 31.572 -3.577 1.00 41.50 H new ATOM 0 HD3 LYS A 74 20.144 32.563 -3.950 1.00 41.50 H new ATOM 0 HE2 LYS A 74 19.604 30.450 -5.956 1.00 32.14 H new ATOM 0 HE3 LYS A 74 18.311 31.622 -5.797 1.00 32.14 H new ATOM 0 HZ1 LYS A 74 19.922 32.314 -7.448 1.00 75.21 H new ATOM 0 HZ2 LYS A 74 19.921 33.405 -6.146 1.00 75.21 H new ATOM 0 HZ3 LYS A 74 21.174 32.269 -6.301 1.00 75.21 H new ATOM 1056 N VAL A 75 19.462 30.001 -0.196 1.00 64.23 N ATOM 1057 CA VAL A 75 18.953 28.832 0.511 1.00 13.33 C ATOM 1058 C VAL A 75 18.094 27.967 -0.404 1.00 64.42 C ATOM 1059 O VAL A 75 17.321 28.477 -1.216 1.00 3.25 O ATOM 1060 CB VAL A 75 18.121 29.240 1.742 1.00 23.11 C ATOM 1061 CG1 VAL A 75 17.566 28.009 2.443 1.00 53.53 C ATOM 1062 CG2 VAL A 75 18.960 30.075 2.698 1.00 32.11 C ATOM 0 H VAL A 75 18.770 30.733 -0.355 1.00 64.23 H new ATOM 0 HA VAL A 75 19.820 28.259 0.840 1.00 13.33 H new ATOM 0 HB VAL A 75 17.280 29.847 1.406 1.00 23.11 H new ATOM 0 HG11 VAL A 75 16.981 28.317 3.310 1.00 53.53 H new ATOM 0 HG12 VAL A 75 16.929 27.454 1.754 1.00 53.53 H new ATOM 0 HG13 VAL A 75 18.389 27.373 2.768 1.00 53.53 H new ATOM 0 HG21 VAL A 75 18.357 30.355 3.562 1.00 32.11 H new ATOM 0 HG22 VAL A 75 19.821 29.494 3.029 1.00 32.11 H new ATOM 0 HG23 VAL A 75 19.304 30.975 2.189 1.00 32.11 H new ATOM 1072 N THR A 76 18.235 26.652 -0.269 1.00 33.52 N ATOM 1073 CA THR A 76 17.473 25.714 -1.084 1.00 30.32 C ATOM 1074 C THR A 76 16.779 24.670 -0.217 1.00 33.33 C ATOM 1075 O THR A 76 17.343 24.191 0.766 1.00 22.42 O ATOM 1076 CB THR A 76 18.375 24.997 -2.107 1.00 14.42 C ATOM 1077 OG1 THR A 76 19.592 25.731 -2.285 1.00 75.34 O ATOM 1078 CG2 THR A 76 17.665 24.850 -3.444 1.00 74.11 C ATOM 0 H THR A 76 18.870 26.212 0.397 1.00 33.52 H new ATOM 0 HA THR A 76 16.722 26.297 -1.618 1.00 30.32 H new ATOM 0 HB THR A 76 18.604 24.002 -1.724 1.00 14.42 H new ATOM 0 HG1 THR A 76 20.161 25.268 -2.935 1.00 75.34 H new ATOM 0 HG21 THR A 76 18.321 24.341 -4.150 1.00 74.11 H new ATOM 0 HG22 THR A 76 16.754 24.267 -3.310 1.00 74.11 H new ATOM 0 HG23 THR A 76 17.411 25.837 -3.831 1.00 74.11 H new ATOM 1086 N ALA A 77 15.551 24.321 -0.588 1.00 21.24 N ATOM 1087 CA ALA A 77 14.781 23.331 0.155 1.00 10.03 C ATOM 1088 C ALA A 77 14.133 22.320 -0.785 1.00 44.54 C ATOM 1089 O ALA A 77 13.532 22.693 -1.793 1.00 21.30 O ATOM 1090 CB ALA A 77 13.722 24.016 1.007 1.00 44.45 C ATOM 0 H ALA A 77 15.068 24.709 -1.398 1.00 21.24 H new ATOM 0 HA ALA A 77 15.466 22.792 0.810 1.00 10.03 H new ATOM 0 HB1 ALA A 77 13.155 23.264 1.556 1.00 44.45 H new ATOM 0 HB2 ALA A 77 14.204 24.693 1.712 1.00 44.45 H new ATOM 0 HB3 ALA A 77 13.048 24.581 0.364 1.00 44.45 H new ATOM 1096 N SER A 78 14.261 21.041 -0.450 1.00 71.41 N ATOM 1097 CA SER A 78 13.692 19.976 -1.268 1.00 34.22 C ATOM 1098 C SER A 78 13.079 18.887 -0.392 1.00 64.31 C ATOM 1099 O SER A 78 13.652 18.500 0.627 1.00 62.41 O ATOM 1100 CB SER A 78 14.765 19.373 -2.176 1.00 74.52 C ATOM 1101 OG SER A 78 14.195 18.470 -3.108 1.00 61.23 O ATOM 0 H SER A 78 14.754 20.716 0.382 1.00 71.41 H new ATOM 0 HA SER A 78 12.904 20.407 -1.886 1.00 34.22 H new ATOM 0 HB2 SER A 78 15.285 20.169 -2.708 1.00 74.52 H new ATOM 0 HB3 SER A 78 15.509 18.855 -1.571 1.00 74.52 H new ATOM 0 HG SER A 78 14.901 18.099 -3.678 1.00 61.23 H new ATOM 1107 N ILE A 79 11.912 18.397 -0.797 1.00 44.31 N ATOM 1108 CA ILE A 79 11.223 17.352 -0.051 1.00 15.41 C ATOM 1109 C ILE A 79 10.659 16.289 -0.987 1.00 64.32 C ATOM 1110 O ILE A 79 9.908 16.595 -1.912 1.00 3.41 O ATOM 1111 CB ILE A 79 10.076 17.931 0.799 1.00 10.11 C ATOM 1112 CG1 ILE A 79 9.278 16.802 1.454 1.00 15.22 C ATOM 1113 CG2 ILE A 79 9.168 18.801 -0.058 1.00 4.02 C ATOM 1114 CD1 ILE A 79 9.059 16.999 2.938 1.00 22.30 C ATOM 0 H ILE A 79 11.424 18.707 -1.637 1.00 44.31 H new ATOM 0 HA ILE A 79 11.961 16.897 0.609 1.00 15.41 H new ATOM 0 HB ILE A 79 10.504 18.552 1.586 1.00 10.11 H new ATOM 0 HG12 ILE A 79 8.310 16.718 0.960 1.00 15.22 H new ATOM 0 HG13 ILE A 79 9.800 15.859 1.294 1.00 15.22 H new ATOM 0 HG21 ILE A 79 8.363 19.203 0.557 1.00 4.02 H new ATOM 0 HG22 ILE A 79 9.745 19.623 -0.482 1.00 4.02 H new ATOM 0 HG23 ILE A 79 8.745 18.202 -0.864 1.00 4.02 H new ATOM 0 HD11 ILE A 79 8.487 16.161 3.336 1.00 22.30 H new ATOM 0 HD12 ILE A 79 10.023 17.053 3.444 1.00 22.30 H new ATOM 0 HD13 ILE A 79 8.510 17.925 3.105 1.00 22.30 H new ATOM 1126 N GLY A 80 11.027 15.035 -0.739 1.00 52.02 N ATOM 1127 CA GLY A 80 10.548 13.944 -1.567 1.00 73.14 C ATOM 1128 C GLY A 80 11.016 14.058 -3.005 1.00 12.34 C ATOM 1129 O GLY A 80 12.099 13.589 -3.351 1.00 41.42 O ATOM 0 H GLY A 80 11.648 14.756 0.020 1.00 52.02 H new ATOM 0 HA2 GLY A 80 10.892 12.998 -1.150 1.00 73.14 H new ATOM 0 HA3 GLY A 80 9.458 13.925 -1.543 1.00 73.14 H new ATOM 1133 N GLY A 81 10.196 14.683 -3.845 1.00 31.32 N ATOM 1134 CA GLY A 81 10.549 14.844 -5.243 1.00 53.12 C ATOM 1135 C GLY A 81 10.750 16.297 -5.626 1.00 72.24 C ATOM 1136 O GLY A 81 11.880 16.741 -5.830 1.00 41.00 O ATOM 0 H GLY A 81 9.294 15.080 -3.582 1.00 31.32 H new ATOM 0 HA2 GLY A 81 11.463 14.287 -5.450 1.00 53.12 H new ATOM 0 HA3 GLY A 81 9.765 14.413 -5.865 1.00 53.12 H new ATOM 1140 N ILE A 82 9.652 17.038 -5.727 1.00 13.13 N ATOM 1141 CA ILE A 82 9.713 18.449 -6.089 1.00 22.42 C ATOM 1142 C ILE A 82 10.590 19.228 -5.115 1.00 43.42 C ATOM 1143 O ILE A 82 10.649 18.911 -3.928 1.00 12.44 O ATOM 1144 CB ILE A 82 8.310 19.084 -6.120 1.00 64.50 C ATOM 1145 CG1 ILE A 82 7.411 18.338 -7.109 1.00 3.34 C ATOM 1146 CG2 ILE A 82 8.404 20.557 -6.488 1.00 31.14 C ATOM 1147 CD1 ILE A 82 7.876 18.441 -8.544 1.00 43.34 C ATOM 0 H ILE A 82 8.709 16.685 -5.563 1.00 13.13 H new ATOM 0 HA ILE A 82 10.148 18.500 -7.087 1.00 22.42 H new ATOM 0 HB ILE A 82 7.869 19.005 -5.126 1.00 64.50 H new ATOM 0 HG12 ILE A 82 7.366 17.287 -6.825 1.00 3.34 H new ATOM 0 HG13 ILE A 82 6.397 18.732 -7.035 1.00 3.34 H new ATOM 0 HG21 ILE A 82 7.405 20.992 -6.506 1.00 31.14 H new ATOM 0 HG22 ILE A 82 9.014 21.078 -5.750 1.00 31.14 H new ATOM 0 HG23 ILE A 82 8.861 20.658 -7.472 1.00 31.14 H new ATOM 0 HD11 ILE A 82 7.192 17.889 -9.189 1.00 43.34 H new ATOM 0 HD12 ILE A 82 7.894 19.488 -8.846 1.00 43.34 H new ATOM 0 HD13 ILE A 82 8.878 18.020 -8.633 1.00 43.34 H new ATOM 1159 N GLN A 83 11.269 20.250 -5.627 1.00 11.32 N ATOM 1160 CA GLN A 83 12.142 21.076 -4.802 1.00 3.34 C ATOM 1161 C GLN A 83 11.926 22.558 -5.094 1.00 21.54 C ATOM 1162 O GLN A 83 11.363 22.921 -6.125 1.00 40.51 O ATOM 1163 CB GLN A 83 13.607 20.705 -5.042 1.00 13.41 C ATOM 1164 CG GLN A 83 14.154 21.216 -6.365 1.00 63.30 C ATOM 1165 CD GLN A 83 15.514 20.633 -6.697 1.00 51.34 C ATOM 1166 OE1 GLN A 83 15.669 19.913 -7.684 1.00 22.33 O ATOM 1167 NE2 GLN A 83 16.508 20.943 -5.874 1.00 4.22 N ATOM 0 H GLN A 83 11.231 20.525 -6.608 1.00 11.32 H new ATOM 0 HA GLN A 83 11.894 20.891 -3.757 1.00 3.34 H new ATOM 0 HB2 GLN A 83 14.213 21.105 -4.229 1.00 13.41 H new ATOM 0 HB3 GLN A 83 13.708 19.620 -5.011 1.00 13.41 H new ATOM 0 HG2 GLN A 83 13.453 20.971 -7.163 1.00 63.30 H new ATOM 0 HG3 GLN A 83 14.228 22.303 -6.328 1.00 63.30 H new ATOM 0 HE21 GLN A 83 16.334 21.543 -5.068 1.00 4.22 H new ATOM 0 HE22 GLN A 83 17.446 20.581 -6.048 1.00 4.22 H new ATOM 1176 N GLY A 84 12.378 23.409 -4.177 1.00 75.41 N ATOM 1177 CA GLY A 84 12.223 24.841 -4.355 1.00 24.32 C ATOM 1178 C GLY A 84 13.513 25.598 -4.105 1.00 74.12 C ATOM 1179 O GLY A 84 14.558 24.995 -3.862 1.00 34.32 O ATOM 0 H GLY A 84 12.848 23.132 -3.315 1.00 75.41 H new ATOM 0 HA2 GLY A 84 11.877 25.043 -5.369 1.00 24.32 H new ATOM 0 HA3 GLY A 84 11.453 25.207 -3.676 1.00 24.32 H new ATOM 1183 N SER A 85 13.440 26.924 -4.167 1.00 71.32 N ATOM 1184 CA SER A 85 14.612 27.764 -3.951 1.00 54.45 C ATOM 1185 C SER A 85 14.225 29.067 -3.258 1.00 41.42 C ATOM 1186 O SER A 85 13.122 29.582 -3.447 1.00 3.12 O ATOM 1187 CB SER A 85 15.301 28.067 -5.283 1.00 54.15 C ATOM 1188 OG SER A 85 14.364 28.102 -6.346 1.00 14.31 O ATOM 0 H SER A 85 12.582 27.439 -4.365 1.00 71.32 H new ATOM 0 HA SER A 85 15.304 27.221 -3.307 1.00 54.45 H new ATOM 0 HB2 SER A 85 15.819 29.024 -5.219 1.00 54.15 H new ATOM 0 HB3 SER A 85 16.057 27.309 -5.486 1.00 54.15 H new ATOM 0 HG SER A 85 14.829 28.299 -7.186 1.00 14.31 H new ATOM 1194 N THR A 86 15.142 29.597 -2.454 1.00 33.02 N ATOM 1195 CA THR A 86 14.898 30.839 -1.731 1.00 23.33 C ATOM 1196 C THR A 86 16.176 31.661 -1.605 1.00 34.04 C ATOM 1197 O THR A 86 17.240 31.128 -1.291 1.00 61.44 O ATOM 1198 CB THR A 86 14.335 30.568 -0.323 1.00 75.21 C ATOM 1199 OG1 THR A 86 13.075 29.894 -0.421 1.00 71.21 O ATOM 1200 CG2 THR A 86 14.162 31.867 0.450 1.00 74.42 C ATOM 0 H THR A 86 16.060 29.185 -2.287 1.00 33.02 H new ATOM 0 HA THR A 86 14.162 31.401 -2.306 1.00 23.33 H new ATOM 0 HB THR A 86 15.044 29.937 0.213 1.00 75.21 H new ATOM 0 HG1 THR A 86 12.724 29.724 0.478 1.00 71.21 H new ATOM 0 HG21 THR A 86 13.763 31.650 1.441 1.00 74.42 H new ATOM 0 HG22 THR A 86 15.127 32.363 0.548 1.00 74.42 H new ATOM 0 HG23 THR A 86 13.471 32.519 -0.084 1.00 74.42 H new ATOM 1208 N ASP A 87 16.063 32.962 -1.850 1.00 32.34 N ATOM 1209 CA ASP A 87 17.209 33.859 -1.762 1.00 23.44 C ATOM 1210 C ASP A 87 16.946 34.980 -0.761 1.00 43.14 C ATOM 1211 O ASP A 87 15.961 35.710 -0.876 1.00 22.31 O ATOM 1212 CB ASP A 87 17.529 34.449 -3.136 1.00 21.41 C ATOM 1213 CG ASP A 87 18.658 35.459 -3.084 1.00 22.02 C ATOM 1214 OD1 ASP A 87 18.424 36.585 -2.597 1.00 63.23 O ATOM 1215 OD2 ASP A 87 19.776 35.124 -3.530 1.00 54.13 O ATOM 0 H ASP A 87 15.189 33.419 -2.111 1.00 32.34 H new ATOM 0 HA ASP A 87 18.066 33.281 -1.416 1.00 23.44 H new ATOM 0 HB2 ASP A 87 17.797 33.644 -3.820 1.00 21.41 H new ATOM 0 HB3 ASP A 87 16.636 34.927 -3.540 1.00 21.41 H new ATOM 1220 N PHE A 88 17.833 35.111 0.220 1.00 41.14 N ATOM 1221 CA PHE A 88 17.696 36.142 1.242 1.00 51.35 C ATOM 1222 C PHE A 88 18.990 36.937 1.390 1.00 61.15 C ATOM 1223 O PHE A 88 20.083 36.370 1.398 1.00 1.12 O ATOM 1224 CB PHE A 88 17.314 35.513 2.583 1.00 2.20 C ATOM 1225 CG PHE A 88 18.486 34.951 3.337 1.00 54.25 C ATOM 1226 CD1 PHE A 88 19.212 35.747 4.208 1.00 62.14 C ATOM 1227 CD2 PHE A 88 18.861 33.627 3.173 1.00 14.33 C ATOM 1228 CE1 PHE A 88 20.291 35.233 4.903 1.00 74.21 C ATOM 1229 CE2 PHE A 88 19.938 33.108 3.866 1.00 34.32 C ATOM 1230 CZ PHE A 88 20.654 33.912 4.731 1.00 63.40 C ATOM 0 H PHE A 88 18.654 34.516 0.329 1.00 41.14 H new ATOM 0 HA PHE A 88 16.905 36.824 0.930 1.00 51.35 H new ATOM 0 HB2 PHE A 88 16.821 36.264 3.200 1.00 2.20 H new ATOM 0 HB3 PHE A 88 16.589 34.718 2.409 1.00 2.20 H new ATOM 0 HD1 PHE A 88 18.932 36.781 4.346 1.00 62.14 H new ATOM 0 HD2 PHE A 88 18.306 32.994 2.497 1.00 14.33 H new ATOM 0 HE1 PHE A 88 20.849 35.864 5.579 1.00 74.21 H new ATOM 0 HE2 PHE A 88 20.220 32.074 3.731 1.00 34.32 H new ATOM 0 HZ PHE A 88 21.497 33.508 5.272 1.00 63.40 H new ATOM 1240 N LYS A 89 18.859 38.254 1.505 1.00 14.02 N ATOM 1241 CA LYS A 89 20.016 39.129 1.654 1.00 73.23 C ATOM 1242 C LYS A 89 20.028 39.785 3.030 1.00 3.44 C ATOM 1243 O LYS A 89 19.090 40.491 3.401 1.00 1.03 O ATOM 1244 CB LYS A 89 20.011 40.204 0.564 1.00 23.33 C ATOM 1245 CG LYS A 89 21.083 41.264 0.752 1.00 73.25 C ATOM 1246 CD LYS A 89 21.786 41.583 -0.557 1.00 23.31 C ATOM 1247 CE LYS A 89 21.401 42.960 -1.076 1.00 21.33 C ATOM 1248 NZ LYS A 89 21.374 43.004 -2.564 1.00 34.10 N ATOM 0 H LYS A 89 17.962 38.740 1.498 1.00 14.02 H new ATOM 0 HA LYS A 89 20.916 38.522 1.553 1.00 73.23 H new ATOM 0 HB2 LYS A 89 20.150 39.727 -0.406 1.00 23.33 H new ATOM 0 HB3 LYS A 89 19.034 40.686 0.545 1.00 23.33 H new ATOM 0 HG2 LYS A 89 20.633 42.171 1.155 1.00 73.25 H new ATOM 0 HG3 LYS A 89 21.813 40.919 1.484 1.00 73.25 H new ATOM 0 HD2 LYS A 89 22.865 41.536 -0.412 1.00 23.31 H new ATOM 0 HD3 LYS A 89 21.531 40.828 -1.301 1.00 23.31 H new ATOM 0 HE2 LYS A 89 20.420 43.234 -0.687 1.00 21.33 H new ATOM 0 HE3 LYS A 89 22.110 43.700 -0.704 1.00 21.33 H new ATOM 0 HZ1 LYS A 89 21.107 43.959 -2.878 1.00 34.10 H new ATOM 0 HZ2 LYS A 89 22.316 42.768 -2.935 1.00 34.10 H new ATOM 0 HZ3 LYS A 89 20.679 42.316 -2.919 1.00 34.10 H new ATOM 1262 N VAL A 90 21.098 39.550 3.784 1.00 72.23 N ATOM 1263 CA VAL A 90 21.234 40.121 5.118 1.00 34.55 C ATOM 1264 C VAL A 90 22.256 41.251 5.131 1.00 10.42 C ATOM 1265 O VAL A 90 23.395 41.079 4.696 1.00 1.21 O ATOM 1266 CB VAL A 90 21.653 39.052 6.146 1.00 42.33 C ATOM 1267 CG1 VAL A 90 22.938 38.365 5.708 1.00 53.53 C ATOM 1268 CG2 VAL A 90 21.815 39.674 7.525 1.00 52.14 C ATOM 0 H VAL A 90 21.883 38.968 3.493 1.00 72.23 H new ATOM 0 HA VAL A 90 20.257 40.517 5.394 1.00 34.55 H new ATOM 0 HB VAL A 90 20.867 38.299 6.202 1.00 42.33 H new ATOM 0 HG11 VAL A 90 23.219 37.613 6.446 1.00 53.53 H new ATOM 0 HG12 VAL A 90 22.783 37.885 4.742 1.00 53.53 H new ATOM 0 HG13 VAL A 90 23.735 39.104 5.622 1.00 53.53 H new ATOM 0 HG21 VAL A 90 22.111 38.905 8.239 1.00 52.14 H new ATOM 0 HG22 VAL A 90 22.581 40.448 7.487 1.00 52.14 H new ATOM 0 HG23 VAL A 90 20.869 40.115 7.839 1.00 52.14 H new ATOM 1278 N THR A 91 21.842 42.411 5.634 1.00 61.51 N ATOM 1279 CA THR A 91 22.721 43.571 5.703 1.00 21.13 C ATOM 1280 C THR A 91 23.341 43.709 7.089 1.00 62.11 C ATOM 1281 O THR A 91 22.978 42.986 8.016 1.00 75.42 O ATOM 1282 CB THR A 91 21.966 44.869 5.360 1.00 61.13 C ATOM 1283 OG1 THR A 91 20.811 44.569 4.568 1.00 22.10 O ATOM 1284 CG2 THR A 91 22.867 45.835 4.606 1.00 51.43 C ATOM 0 H THR A 91 20.903 42.571 5.999 1.00 61.51 H new ATOM 0 HA THR A 91 23.511 43.413 4.968 1.00 21.13 H new ATOM 0 HB THR A 91 21.654 45.340 6.292 1.00 61.13 H new ATOM 0 HG1 THR A 91 20.335 45.399 4.356 1.00 22.10 H new ATOM 0 HG21 THR A 91 22.312 46.744 4.374 1.00 51.43 H new ATOM 0 HG22 THR A 91 23.731 46.084 5.223 1.00 51.43 H new ATOM 0 HG23 THR A 91 23.205 45.370 3.680 1.00 51.43 H new ATOM 1292 N GLN A 92 24.278 44.642 7.223 1.00 42.04 N ATOM 1293 CA GLN A 92 24.948 44.874 8.497 1.00 65.24 C ATOM 1294 C GLN A 92 24.109 45.773 9.398 1.00 52.12 C ATOM 1295 O GLN A 92 24.448 45.996 10.561 1.00 63.35 O ATOM 1296 CB GLN A 92 26.323 45.503 8.266 1.00 5.44 C ATOM 1297 CG GLN A 92 26.263 46.969 7.868 1.00 15.22 C ATOM 1298 CD GLN A 92 27.637 47.581 7.681 1.00 30.24 C ATOM 1299 OE1 GLN A 92 28.651 46.883 7.723 1.00 34.03 O ATOM 1300 NE2 GLN A 92 27.679 48.892 7.474 1.00 74.34 N ATOM 0 H GLN A 92 24.590 45.249 6.465 1.00 42.04 H new ATOM 0 HA GLN A 92 25.075 43.912 8.993 1.00 65.24 H new ATOM 0 HB2 GLN A 92 26.915 45.406 9.176 1.00 5.44 H new ATOM 0 HB3 GLN A 92 26.842 44.945 7.487 1.00 5.44 H new ATOM 0 HG2 GLN A 92 25.697 47.067 6.942 1.00 15.22 H new ATOM 0 HG3 GLN A 92 25.722 47.527 8.632 1.00 15.22 H new ATOM 0 HE21 GLN A 92 26.814 49.432 7.447 1.00 74.34 H new ATOM 0 HE22 GLN A 92 28.576 49.359 7.342 1.00 74.34 H new