USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 732 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 45 HIS : no HD1:sc= 0 X(o=-0.34,f=-0.34) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= -0.338 USER MOD Set 2.1: A 26 MET CE :methyl 170:sc=-0.00943 (180deg=-0.235) USER MOD Set 2.2: A 46 TYR OH : rot 71:sc= 0.00364 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 146:sc= -0.0249 (180deg=-0.563) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0207 X(o=-0.021,f=-0.17) USER MOD Single : A 24 CYS SG : rot 180:sc= 0.0393 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0406 (180deg=-0.322) USER MOD Single : A 55 THR OG1 : rot 42:sc= 1.12 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 92 SER OG : rot 12:sc= 0.689 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.190 15.018 38.855 1.00 0.00 N ATOM 2 CA GLY A 1 -0.547 15.690 39.969 1.00 0.00 C ATOM 3 C GLY A 1 0.036 17.034 39.577 1.00 0.00 C ATOM 4 O GLY A 1 -0.672 17.898 39.061 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.572 14.105 39.174 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.965 15.610 38.493 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.495 14.857 38.099 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.271 15.832 40.771 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.246 15.055 40.364 1.00 0.00 H new ATOM 8 N SER A 2 1.330 17.210 39.824 1.00 0.00 N ATOM 9 CA SER A 2 2.007 18.460 39.498 1.00 0.00 C ATOM 10 C SER A 2 2.362 18.515 38.015 1.00 0.00 C ATOM 11 O SER A 2 3.323 17.885 37.572 1.00 0.00 O ATOM 12 CB SER A 2 3.272 18.615 40.344 1.00 0.00 C ATOM 13 OG SER A 2 3.453 19.961 40.748 1.00 0.00 O ATOM 0 H SER A 2 1.931 16.503 40.249 1.00 0.00 H new ATOM 0 HA SER A 2 1.327 19.282 39.721 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.206 17.974 41.223 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.139 18.284 39.772 1.00 0.00 H new ATOM 0 HG SER A 2 4.267 20.034 41.289 1.00 0.00 H new ATOM 19 N SER A 3 1.581 19.274 37.253 1.00 0.00 N ATOM 20 CA SER A 3 1.810 19.409 35.820 1.00 0.00 C ATOM 21 C SER A 3 2.895 20.444 35.538 1.00 0.00 C ATOM 22 O SER A 3 2.775 21.606 35.923 1.00 0.00 O ATOM 23 CB SER A 3 0.514 19.806 35.110 1.00 0.00 C ATOM 24 OG SER A 3 -0.375 18.706 35.017 1.00 0.00 O ATOM 0 H SER A 3 0.784 19.805 37.605 1.00 0.00 H new ATOM 0 HA SER A 3 2.144 18.444 35.438 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.034 20.621 35.652 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.742 20.178 34.111 1.00 0.00 H new ATOM 0 HG SER A 3 -1.196 18.986 34.561 1.00 0.00 H new ATOM 30 N GLY A 4 3.955 20.011 34.863 1.00 0.00 N ATOM 31 CA GLY A 4 5.047 20.911 34.540 1.00 0.00 C ATOM 32 C GLY A 4 4.785 21.714 33.282 1.00 0.00 C ATOM 33 O GLY A 4 3.860 21.413 32.527 1.00 0.00 O ATOM 0 H GLY A 4 4.077 19.053 34.534 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.211 21.593 35.375 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.964 20.335 34.415 1.00 0.00 H new ATOM 37 N SER A 5 5.600 22.739 33.055 1.00 0.00 N ATOM 38 CA SER A 5 5.448 23.591 31.881 1.00 0.00 C ATOM 39 C SER A 5 6.118 22.962 30.663 1.00 0.00 C ATOM 40 O SER A 5 7.289 22.588 30.709 1.00 0.00 O ATOM 41 CB SER A 5 6.044 24.974 32.148 1.00 0.00 C ATOM 42 OG SER A 5 5.151 26.000 31.751 1.00 0.00 O ATOM 0 H SER A 5 6.372 23.000 33.668 1.00 0.00 H new ATOM 0 HA SER A 5 4.383 23.696 31.674 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.272 25.076 33.209 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.985 25.078 31.608 1.00 0.00 H new ATOM 0 HG SER A 5 5.555 26.874 31.934 1.00 0.00 H new ATOM 48 N SER A 6 5.364 22.850 29.573 1.00 0.00 N ATOM 49 CA SER A 6 5.882 22.263 28.343 1.00 0.00 C ATOM 50 C SER A 6 4.967 22.577 27.164 1.00 0.00 C ATOM 51 O SER A 6 3.892 21.994 27.026 1.00 0.00 O ATOM 52 CB SER A 6 6.032 20.749 28.499 1.00 0.00 C ATOM 53 OG SER A 6 6.582 20.168 27.329 1.00 0.00 O ATOM 0 H SER A 6 4.393 23.158 29.517 1.00 0.00 H new ATOM 0 HA SER A 6 6.861 22.699 28.146 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.673 20.530 29.353 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.059 20.304 28.707 1.00 0.00 H new ATOM 0 HG SER A 6 6.669 19.200 27.454 1.00 0.00 H new ATOM 59 N GLY A 7 5.401 23.504 26.316 1.00 0.00 N ATOM 60 CA GLY A 7 4.609 23.881 25.159 1.00 0.00 C ATOM 61 C GLY A 7 5.443 23.999 23.899 1.00 0.00 C ATOM 62 O GLY A 7 5.650 25.097 23.385 1.00 0.00 O ATOM 0 H GLY A 7 6.287 24.001 26.409 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.824 23.141 25.003 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.116 24.833 25.355 1.00 0.00 H new ATOM 66 N ASN A 8 5.925 22.865 23.401 1.00 0.00 N ATOM 67 CA ASN A 8 6.743 22.846 22.194 1.00 0.00 C ATOM 68 C ASN A 8 6.280 21.750 21.240 1.00 0.00 C ATOM 69 O ASN A 8 5.627 20.790 21.651 1.00 0.00 O ATOM 70 CB ASN A 8 8.215 22.636 22.555 1.00 0.00 C ATOM 71 CG ASN A 8 8.446 21.344 23.315 1.00 0.00 C ATOM 72 OD1 ASN A 8 8.600 20.278 22.717 1.00 0.00 O ATOM 73 ND2 ASN A 8 8.469 21.433 24.639 1.00 0.00 N ATOM 0 H ASN A 8 5.763 21.947 23.815 1.00 0.00 H new ATOM 0 HA ASN A 8 6.632 23.808 21.694 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.812 22.630 21.643 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.562 23.476 23.157 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.619 20.597 25.204 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.337 22.337 25.092 1.00 0.00 H new ATOM 80 N ILE A 9 6.623 21.900 19.965 1.00 0.00 N ATOM 81 CA ILE A 9 6.244 20.922 18.952 1.00 0.00 C ATOM 82 C ILE A 9 7.458 20.140 18.461 1.00 0.00 C ATOM 83 O ILE A 9 7.331 19.015 17.979 1.00 0.00 O ATOM 84 CB ILE A 9 5.559 21.595 17.748 1.00 0.00 C ATOM 85 CG1 ILE A 9 5.049 20.537 16.768 1.00 0.00 C ATOM 86 CG2 ILE A 9 6.523 22.547 17.055 1.00 0.00 C ATOM 87 CD1 ILE A 9 6.029 20.214 15.662 1.00 0.00 C ATOM 0 H ILE A 9 7.162 22.689 19.609 1.00 0.00 H new ATOM 0 HA ILE A 9 5.540 20.236 19.423 1.00 0.00 H new ATOM 0 HB ILE A 9 4.706 22.171 18.108 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.821 19.624 17.318 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.115 20.884 16.325 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.025 23.015 16.206 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.843 23.317 17.758 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.393 21.992 16.704 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.600 19.457 15.006 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.239 21.116 15.087 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.955 19.836 16.095 1.00 0.00 H new ATOM 99 N MET A 10 8.635 20.745 18.588 1.00 0.00 N ATOM 100 CA MET A 10 9.873 20.104 18.160 1.00 0.00 C ATOM 101 C MET A 10 11.080 20.748 18.834 1.00 0.00 C ATOM 102 O MET A 10 11.043 21.922 19.206 1.00 0.00 O ATOM 103 CB MET A 10 10.017 20.190 16.639 1.00 0.00 C ATOM 104 CG MET A 10 10.225 18.840 15.972 1.00 0.00 C ATOM 105 SD MET A 10 9.969 18.901 14.188 1.00 0.00 S ATOM 106 CE MET A 10 10.264 17.191 13.745 1.00 0.00 C ATOM 0 H MET A 10 8.757 21.677 18.983 1.00 0.00 H new ATOM 0 HA MET A 10 9.831 19.056 18.455 1.00 0.00 H new ATOM 0 HB2 MET A 10 9.125 20.658 16.223 1.00 0.00 H new ATOM 0 HB3 MET A 10 10.859 20.839 16.398 1.00 0.00 H new ATOM 0 HG2 MET A 10 11.236 18.489 16.178 1.00 0.00 H new ATOM 0 HG3 MET A 10 9.540 18.114 16.409 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.143 17.068 12.669 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.278 16.911 14.030 1.00 0.00 H new ATOM 0 HE3 MET A 10 9.551 16.552 14.266 1.00 0.00 H new ATOM 116 N LEU A 11 12.149 19.974 18.989 1.00 0.00 N ATOM 117 CA LEU A 11 13.368 20.470 19.619 1.00 0.00 C ATOM 118 C LEU A 11 14.346 20.994 18.573 1.00 0.00 C ATOM 119 O LEU A 11 14.864 20.234 17.754 1.00 0.00 O ATOM 120 CB LEU A 11 14.028 19.361 20.440 1.00 0.00 C ATOM 121 CG LEU A 11 13.106 18.583 21.380 1.00 0.00 C ATOM 122 CD1 LEU A 11 13.813 17.350 21.922 1.00 0.00 C ATOM 123 CD2 LEU A 11 12.633 19.473 22.521 1.00 0.00 C ATOM 0 H LEU A 11 12.196 19.001 18.687 1.00 0.00 H new ATOM 0 HA LEU A 11 13.097 21.292 20.281 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.493 18.655 19.752 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.829 19.803 21.033 1.00 0.00 H new ATOM 0 HG LEU A 11 12.233 18.257 20.814 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.141 16.809 22.589 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.101 16.702 21.094 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.704 17.654 22.472 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.978 18.903 23.180 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.495 19.829 23.086 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.087 20.325 22.116 1.00 0.00 H new ATOM 135 N LEU A 12 14.598 22.298 18.607 1.00 0.00 N ATOM 136 CA LEU A 12 15.517 22.926 17.664 1.00 0.00 C ATOM 137 C LEU A 12 16.823 23.311 18.351 1.00 0.00 C ATOM 138 O LEU A 12 16.821 23.826 19.469 1.00 0.00 O ATOM 139 CB LEU A 12 14.871 24.164 17.039 1.00 0.00 C ATOM 140 CG LEU A 12 14.595 24.091 15.537 1.00 0.00 C ATOM 141 CD1 LEU A 12 13.103 23.955 15.275 1.00 0.00 C ATOM 142 CD2 LEU A 12 15.153 25.319 14.832 1.00 0.00 C ATOM 0 H LEU A 12 14.178 22.941 19.278 1.00 0.00 H new ATOM 0 HA LEU A 12 15.741 22.205 16.878 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.929 24.356 17.552 1.00 0.00 H new ATOM 0 HB3 LEU A 12 15.517 25.021 17.228 1.00 0.00 H new ATOM 0 HG LEU A 12 15.095 23.209 15.137 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.925 23.905 14.201 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.732 23.045 15.747 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.581 24.818 15.689 1.00 0.00 H new ATOM 0 HD21 LEU A 12 14.947 25.250 13.764 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.682 26.215 15.235 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.230 25.372 14.992 1.00 0.00 H new ATOM 154 N LYS A 13 17.938 23.060 17.673 1.00 0.00 N ATOM 155 CA LYS A 13 19.253 23.383 18.214 1.00 0.00 C ATOM 156 C LYS A 13 19.498 22.643 19.525 1.00 0.00 C ATOM 157 O LYS A 13 18.661 21.859 19.973 1.00 0.00 O ATOM 158 CB LYS A 13 19.378 24.892 18.438 1.00 0.00 C ATOM 159 CG LYS A 13 18.947 25.722 17.240 1.00 0.00 C ATOM 160 CD LYS A 13 19.907 25.558 16.074 1.00 0.00 C ATOM 161 CE LYS A 13 19.411 24.513 15.087 1.00 0.00 C ATOM 162 NZ LYS A 13 20.436 23.464 14.827 1.00 0.00 N ATOM 0 H LYS A 13 17.957 22.633 16.747 1.00 0.00 H new ATOM 0 HA LYS A 13 20.004 23.065 17.491 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.775 25.174 19.301 1.00 0.00 H new ATOM 0 HB3 LYS A 13 20.413 25.130 18.681 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.945 25.425 16.932 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.894 26.773 17.524 1.00 0.00 H new ATOM 0 HD2 LYS A 13 20.028 26.514 15.564 1.00 0.00 H new ATOM 0 HD3 LYS A 13 20.889 25.270 16.448 1.00 0.00 H new ATOM 0 HE2 LYS A 13 18.505 24.047 15.476 1.00 0.00 H new ATOM 0 HE3 LYS A 13 19.142 24.998 14.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 19.965 22.550 14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 20.987 23.719 13.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 21.072 23.389 15.646 1.00 0.00 H new ATOM 176 N LYS A 14 20.650 22.898 20.137 1.00 0.00 N ATOM 177 CA LYS A 14 21.005 22.258 21.398 1.00 0.00 C ATOM 178 C LYS A 14 22.177 22.975 22.061 1.00 0.00 C ATOM 179 O LYS A 14 22.186 23.181 23.274 1.00 0.00 O ATOM 180 CB LYS A 14 21.358 20.787 21.166 1.00 0.00 C ATOM 181 CG LYS A 14 21.852 20.076 22.413 1.00 0.00 C ATOM 182 CD LYS A 14 21.549 18.587 22.364 1.00 0.00 C ATOM 183 CE LYS A 14 21.420 17.998 23.760 1.00 0.00 C ATOM 184 NZ LYS A 14 22.159 16.712 23.889 1.00 0.00 N ATOM 0 H LYS A 14 21.354 23.544 19.780 1.00 0.00 H new ATOM 0 HA LYS A 14 20.143 22.318 22.062 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.479 20.267 20.786 1.00 0.00 H new ATOM 0 HB3 LYS A 14 22.125 20.724 20.394 1.00 0.00 H new ATOM 0 HG2 LYS A 14 22.927 20.226 22.517 1.00 0.00 H new ATOM 0 HG3 LYS A 14 21.382 20.515 23.293 1.00 0.00 H new ATOM 0 HD2 LYS A 14 20.624 18.421 21.811 1.00 0.00 H new ATOM 0 HD3 LYS A 14 22.342 18.071 21.822 1.00 0.00 H new ATOM 0 HE2 LYS A 14 21.801 18.711 24.492 1.00 0.00 H new ATOM 0 HE3 LYS A 14 20.367 17.837 23.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 22.047 16.342 24.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 21.779 16.024 23.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 23.168 16.871 23.694 1.00 0.00 H new ATOM 198 N LYS A 15 23.164 23.354 21.256 1.00 0.00 N ATOM 199 CA LYS A 15 24.340 24.050 21.763 1.00 0.00 C ATOM 200 C LYS A 15 24.601 25.326 20.969 1.00 0.00 C ATOM 201 O LYS A 15 25.121 25.279 19.855 1.00 0.00 O ATOM 202 CB LYS A 15 25.566 23.137 21.698 1.00 0.00 C ATOM 203 CG LYS A 15 25.863 22.423 23.006 1.00 0.00 C ATOM 204 CD LYS A 15 26.797 23.236 23.886 1.00 0.00 C ATOM 205 CE LYS A 15 27.926 22.381 24.440 1.00 0.00 C ATOM 206 NZ LYS A 15 28.449 22.918 25.726 1.00 0.00 N ATOM 0 H LYS A 15 23.172 23.191 20.249 1.00 0.00 H new ATOM 0 HA LYS A 15 24.151 24.321 22.802 1.00 0.00 H new ATOM 0 HB2 LYS A 15 25.414 22.394 20.915 1.00 0.00 H new ATOM 0 HB3 LYS A 15 26.435 23.729 21.412 1.00 0.00 H new ATOM 0 HG2 LYS A 15 24.931 22.236 23.539 1.00 0.00 H new ATOM 0 HG3 LYS A 15 26.312 21.452 22.798 1.00 0.00 H new ATOM 0 HD2 LYS A 15 27.214 24.062 23.310 1.00 0.00 H new ATOM 0 HD3 LYS A 15 26.233 23.674 24.710 1.00 0.00 H new ATOM 0 HE2 LYS A 15 27.570 21.362 24.590 1.00 0.00 H new ATOM 0 HE3 LYS A 15 28.735 22.332 23.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 29.217 22.307 26.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 28.813 23.881 25.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 27.683 22.942 26.429 1.00 0.00 H new ATOM 220 N GLN A 16 24.238 26.465 21.552 1.00 0.00 N ATOM 221 CA GLN A 16 24.434 27.753 20.898 1.00 0.00 C ATOM 222 C GLN A 16 25.789 28.349 21.264 1.00 0.00 C ATOM 223 O GLN A 16 26.715 28.356 20.453 1.00 0.00 O ATOM 224 CB GLN A 16 23.316 28.722 21.287 1.00 0.00 C ATOM 225 CG GLN A 16 22.278 28.923 20.195 1.00 0.00 C ATOM 226 CD GLN A 16 22.228 30.354 19.694 1.00 0.00 C ATOM 227 OE1 GLN A 16 22.807 30.682 18.658 1.00 0.00 O ATOM 228 NE2 GLN A 16 21.533 31.214 20.429 1.00 0.00 N ATOM 0 H GLN A 16 23.807 26.521 22.475 1.00 0.00 H new ATOM 0 HA GLN A 16 24.407 27.592 19.820 1.00 0.00 H new ATOM 0 HB2 GLN A 16 22.820 28.351 22.184 1.00 0.00 H new ATOM 0 HB3 GLN A 16 23.755 29.687 21.542 1.00 0.00 H new ATOM 0 HG2 GLN A 16 22.500 28.257 19.361 1.00 0.00 H new ATOM 0 HG3 GLN A 16 21.296 28.641 20.575 1.00 0.00 H new ATOM 0 HE21 GLN A 16 21.069 30.898 21.281 1.00 0.00 H new ATOM 0 HE22 GLN A 16 21.463 32.190 20.142 1.00 0.00 H new ATOM 237 N ALA A 17 25.899 28.847 22.491 1.00 0.00 N ATOM 238 CA ALA A 17 27.141 29.444 22.965 1.00 0.00 C ATOM 239 C ALA A 17 27.188 29.477 24.489 1.00 0.00 C ATOM 240 O ALA A 17 26.230 29.088 25.157 1.00 0.00 O ATOM 241 CB ALA A 17 27.303 30.847 22.400 1.00 0.00 C ATOM 0 H ALA A 17 25.142 28.849 23.175 1.00 0.00 H new ATOM 0 HA ALA A 17 27.968 28.826 22.615 1.00 0.00 H new ATOM 0 HB1 ALA A 17 28.235 31.280 22.763 1.00 0.00 H new ATOM 0 HB2 ALA A 17 27.324 30.801 21.311 1.00 0.00 H new ATOM 0 HB3 ALA A 17 26.466 31.467 22.720 1.00 0.00 H new ATOM 247 N ARG A 18 28.308 29.942 25.032 1.00 0.00 N ATOM 248 CA ARG A 18 28.480 30.024 26.478 1.00 0.00 C ATOM 249 C ARG A 18 29.038 31.385 26.883 1.00 0.00 C ATOM 250 O ARG A 18 29.432 32.184 26.032 1.00 0.00 O ATOM 251 CB ARG A 18 29.412 28.913 26.965 1.00 0.00 C ATOM 252 CG ARG A 18 30.729 28.847 26.210 1.00 0.00 C ATOM 253 CD ARG A 18 31.912 29.103 27.129 1.00 0.00 C ATOM 254 NE ARG A 18 33.077 28.304 26.758 1.00 0.00 N ATOM 255 CZ ARG A 18 33.161 26.993 26.955 1.00 0.00 C ATOM 256 NH1 ARG A 18 32.155 26.337 27.516 1.00 0.00 N ATOM 257 NH2 ARG A 18 34.254 26.335 26.590 1.00 0.00 N ATOM 0 H ARG A 18 29.110 30.268 24.493 1.00 0.00 H new ATOM 0 HA ARG A 18 27.502 29.899 26.943 1.00 0.00 H new ATOM 0 HB2 ARG A 18 29.618 29.062 28.025 1.00 0.00 H new ATOM 0 HB3 ARG A 18 28.901 27.955 26.871 1.00 0.00 H new ATOM 0 HG2 ARG A 18 30.834 27.867 25.745 1.00 0.00 H new ATOM 0 HG3 ARG A 18 30.726 29.583 25.406 1.00 0.00 H new ATOM 0 HD2 ARG A 18 32.173 30.161 27.097 1.00 0.00 H new ATOM 0 HD3 ARG A 18 31.629 28.875 28.157 1.00 0.00 H new ATOM 0 HE ARG A 18 33.869 28.778 26.324 1.00 0.00 H new ATOM 0 HH11 ARG A 18 31.313 26.839 27.798 1.00 0.00 H new ATOM 0 HH12 ARG A 18 32.223 25.330 27.666 1.00 0.00 H new ATOM 0 HH21 ARG A 18 35.030 26.836 26.158 1.00 0.00 H new ATOM 0 HH22 ARG A 18 34.318 25.328 26.742 1.00 0.00 H new ATOM 271 N CYS A 19 29.068 31.642 28.186 1.00 0.00 N ATOM 272 CA CYS A 19 29.576 32.907 28.704 1.00 0.00 C ATOM 273 C CYS A 19 30.373 32.689 29.986 1.00 0.00 C ATOM 274 O CYS A 19 29.943 31.957 30.878 1.00 0.00 O ATOM 275 CB CYS A 19 28.422 33.876 28.965 1.00 0.00 C ATOM 276 SG CYS A 19 28.050 34.972 27.576 1.00 0.00 S ATOM 0 H CYS A 19 28.747 30.991 28.903 1.00 0.00 H new ATOM 0 HA CYS A 19 30.239 33.338 27.954 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.528 33.302 29.211 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.661 34.482 29.838 1.00 0.00 H new ATOM 0 HG CYS A 19 27.059 35.752 27.892 1.00 0.00 H new ATOM 282 N GLN A 20 31.536 33.326 30.070 1.00 0.00 N ATOM 283 CA GLN A 20 32.393 33.199 31.243 1.00 0.00 C ATOM 284 C GLN A 20 32.862 34.568 31.726 1.00 0.00 C ATOM 285 O GLN A 20 32.746 35.563 31.011 1.00 0.00 O ATOM 286 CB GLN A 20 33.602 32.317 30.923 1.00 0.00 C ATOM 287 CG GLN A 20 34.644 33.004 30.055 1.00 0.00 C ATOM 288 CD GLN A 20 35.086 32.146 28.886 1.00 0.00 C ATOM 289 OE1 GLN A 20 34.260 31.617 28.142 1.00 0.00 O ATOM 290 NE2 GLN A 20 36.395 32.004 28.718 1.00 0.00 N ATOM 0 H GLN A 20 31.907 33.935 29.340 1.00 0.00 H new ATOM 0 HA GLN A 20 31.811 32.733 32.038 1.00 0.00 H new ATOM 0 HB2 GLN A 20 34.069 32.003 31.856 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.259 31.414 30.418 1.00 0.00 H new ATOM 0 HG2 GLN A 20 34.237 33.942 29.679 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.512 33.255 30.665 1.00 0.00 H new ATOM 0 HE21 GLN A 20 37.044 32.461 29.359 1.00 0.00 H new ATOM 0 HE22 GLN A 20 36.752 31.438 27.948 1.00 0.00 H new ATOM 299 N GLY A 21 33.391 34.611 32.945 1.00 0.00 N ATOM 300 CA GLY A 21 33.868 35.863 33.502 1.00 0.00 C ATOM 301 C GLY A 21 34.775 35.656 34.699 1.00 0.00 C ATOM 302 O GLY A 21 35.588 34.731 34.718 1.00 0.00 O ATOM 0 H GLY A 21 33.498 33.801 33.556 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.406 36.417 32.733 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.015 36.474 33.797 1.00 0.00 H new ATOM 306 N VAL A 22 34.639 36.520 35.700 1.00 0.00 N ATOM 307 CA VAL A 22 35.453 36.428 36.906 1.00 0.00 C ATOM 308 C VAL A 22 34.638 36.770 38.147 1.00 0.00 C ATOM 309 O VAL A 22 33.903 37.758 38.168 1.00 0.00 O ATOM 310 CB VAL A 22 36.673 37.365 36.831 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.493 37.277 38.110 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.527 37.032 35.617 1.00 0.00 C ATOM 0 H VAL A 22 33.972 37.292 35.699 1.00 0.00 H new ATOM 0 HA VAL A 22 35.800 35.397 36.977 1.00 0.00 H new ATOM 0 HB VAL A 22 36.316 38.390 36.726 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.351 37.946 38.039 1.00 0.00 H new ATOM 0 HG12 VAL A 22 36.875 37.569 38.959 1.00 0.00 H new ATOM 0 HG13 VAL A 22 37.841 36.254 38.249 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.384 37.704 35.580 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.876 36.002 35.689 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.933 37.151 34.711 1.00 0.00 H new ATOM 322 N VAL A 23 34.772 35.948 39.182 1.00 0.00 N ATOM 323 CA VAL A 23 34.049 36.164 40.430 1.00 0.00 C ATOM 324 C VAL A 23 34.436 37.494 41.066 1.00 0.00 C ATOM 325 O VAL A 23 35.493 37.613 41.687 1.00 0.00 O ATOM 326 CB VAL A 23 34.315 35.029 41.437 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.524 35.254 42.717 1.00 0.00 C ATOM 328 CG2 VAL A 23 33.976 33.680 40.821 1.00 0.00 C ATOM 0 H VAL A 23 35.375 35.125 39.181 1.00 0.00 H new ATOM 0 HA VAL A 23 32.988 36.178 40.182 1.00 0.00 H new ATOM 0 HB VAL A 23 35.376 35.031 41.689 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.725 34.442 43.416 1.00 0.00 H new ATOM 0 HG12 VAL A 23 33.821 36.202 43.166 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.459 35.280 42.487 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.170 32.890 41.546 1.00 0.00 H new ATOM 0 HG22 VAL A 23 32.923 33.663 40.539 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.592 33.519 39.936 1.00 0.00 H new ATOM 338 N CYS A 24 33.574 38.492 40.907 1.00 0.00 N ATOM 339 CA CYS A 24 33.826 39.816 41.465 1.00 0.00 C ATOM 340 C CYS A 24 33.241 39.934 42.869 1.00 0.00 C ATOM 341 O CYS A 24 33.716 40.722 43.686 1.00 0.00 O ATOM 342 CB CYS A 24 33.232 40.896 40.560 1.00 0.00 C ATOM 343 SG CYS A 24 31.444 40.761 40.325 1.00 0.00 S ATOM 0 H CYS A 24 32.695 38.410 40.397 1.00 0.00 H new ATOM 0 HA CYS A 24 34.905 39.958 41.527 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.459 41.875 40.983 1.00 0.00 H new ATOM 0 HB3 CYS A 24 33.720 40.848 39.587 1.00 0.00 H new ATOM 0 HG CYS A 24 31.035 41.719 39.547 1.00 0.00 H new ATOM 349 N ALA A 25 32.205 39.146 43.141 1.00 0.00 N ATOM 350 CA ALA A 25 31.555 39.162 44.445 1.00 0.00 C ATOM 351 C ALA A 25 31.913 37.919 45.252 1.00 0.00 C ATOM 352 O ALA A 25 31.667 36.794 44.818 1.00 0.00 O ATOM 353 CB ALA A 25 30.046 39.271 44.282 1.00 0.00 C ATOM 0 H ALA A 25 31.799 38.489 42.475 1.00 0.00 H new ATOM 0 HA ALA A 25 31.914 40.034 44.991 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.574 39.282 45.264 1.00 0.00 H new ATOM 0 HB2 ALA A 25 29.803 40.192 43.752 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.679 38.417 43.712 1.00 0.00 H new ATOM 359 N MET A 26 32.496 38.129 46.428 1.00 0.00 N ATOM 360 CA MET A 26 32.887 37.024 47.295 1.00 0.00 C ATOM 361 C MET A 26 31.974 36.940 48.514 1.00 0.00 C ATOM 362 O MET A 26 31.966 37.833 49.361 1.00 0.00 O ATOM 363 CB MET A 26 34.341 37.190 47.744 1.00 0.00 C ATOM 364 CG MET A 26 35.296 36.208 47.085 1.00 0.00 C ATOM 365 SD MET A 26 35.857 34.920 48.215 1.00 0.00 S ATOM 366 CE MET A 26 35.077 33.476 47.497 1.00 0.00 C ATOM 0 H MET A 26 32.708 39.054 46.802 1.00 0.00 H new ATOM 0 HA MET A 26 32.792 36.098 46.727 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.667 38.206 47.522 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.395 37.067 48.826 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.803 35.746 46.230 1.00 0.00 H new ATOM 0 HG3 MET A 26 36.160 36.750 46.700 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.468 32.577 47.973 1.00 0.00 H new ATOM 0 HE2 MET A 26 33.999 33.530 47.652 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.288 33.442 46.428 1.00 0.00 H new ATOM 376 N LYS A 27 31.204 35.860 48.596 1.00 0.00 N ATOM 377 CA LYS A 27 30.286 35.658 49.712 1.00 0.00 C ATOM 378 C LYS A 27 30.204 34.181 50.087 1.00 0.00 C ATOM 379 O LYS A 27 30.786 33.329 49.418 1.00 0.00 O ATOM 380 CB LYS A 27 28.894 36.183 49.355 1.00 0.00 C ATOM 381 CG LYS A 27 28.259 37.017 50.455 1.00 0.00 C ATOM 382 CD LYS A 27 27.971 38.433 49.985 1.00 0.00 C ATOM 383 CE LYS A 27 27.769 39.379 51.159 1.00 0.00 C ATOM 384 NZ LYS A 27 26.907 40.538 50.795 1.00 0.00 N ATOM 0 H LYS A 27 31.197 35.111 47.903 1.00 0.00 H new ATOM 0 HA LYS A 27 30.667 36.212 50.570 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.963 36.784 48.448 1.00 0.00 H new ATOM 0 HB3 LYS A 27 28.243 35.338 49.129 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.332 36.545 50.781 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.923 37.047 51.319 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.797 38.788 49.368 1.00 0.00 H new ATOM 0 HD3 LYS A 27 27.080 38.435 49.357 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.317 38.836 51.989 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.737 39.741 51.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.793 41.159 51.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.351 41.071 50.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 25.974 40.194 50.489 1.00 0.00 H new ATOM 398 N GLU A 28 29.475 33.888 51.159 1.00 0.00 N ATOM 399 CA GLU A 28 29.316 32.514 51.621 1.00 0.00 C ATOM 400 C GLU A 28 27.905 32.005 51.340 1.00 0.00 C ATOM 401 O GLU A 28 27.268 31.403 52.204 1.00 0.00 O ATOM 402 CB GLU A 28 29.616 32.418 53.119 1.00 0.00 C ATOM 403 CG GLU A 28 29.972 31.015 53.580 1.00 0.00 C ATOM 404 CD GLU A 28 31.458 30.844 53.833 1.00 0.00 C ATOM 405 OE1 GLU A 28 32.242 30.961 52.869 1.00 0.00 O ATOM 406 OE2 GLU A 28 31.835 30.594 54.997 1.00 0.00 O ATOM 0 H GLU A 28 28.986 34.583 51.723 1.00 0.00 H new ATOM 0 HA GLU A 28 30.024 31.890 51.075 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.440 33.090 53.360 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.747 32.765 53.678 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.423 30.786 54.493 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.650 30.296 52.826 1.00 0.00 H new ATOM 413 N ALA A 29 27.424 32.252 50.126 1.00 0.00 N ATOM 414 CA ALA A 29 26.090 31.818 49.730 1.00 0.00 C ATOM 415 C ALA A 29 25.841 32.090 48.250 1.00 0.00 C ATOM 416 O ALA A 29 25.290 31.250 47.539 1.00 0.00 O ATOM 417 CB ALA A 29 25.036 32.511 50.580 1.00 0.00 C ATOM 0 H ALA A 29 27.938 32.750 49.400 1.00 0.00 H new ATOM 0 HA ALA A 29 26.022 30.742 49.891 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.045 32.178 50.273 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.194 32.263 51.630 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.113 33.590 50.447 1.00 0.00 H new ATOM 423 N PHE A 30 26.251 33.268 47.793 1.00 0.00 N ATOM 424 CA PHE A 30 26.070 33.651 46.397 1.00 0.00 C ATOM 425 C PHE A 30 27.106 34.691 45.981 1.00 0.00 C ATOM 426 O PHE A 30 27.833 35.229 46.815 1.00 0.00 O ATOM 427 CB PHE A 30 24.660 34.203 46.176 1.00 0.00 C ATOM 428 CG PHE A 30 24.258 35.243 47.182 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.886 36.478 47.211 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.253 34.985 48.100 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.518 37.437 48.135 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.881 35.941 49.027 1.00 0.00 C ATOM 433 CZ PHE A 30 23.515 37.168 49.045 1.00 0.00 C ATOM 0 H PHE A 30 26.711 33.974 48.368 1.00 0.00 H new ATOM 0 HA PHE A 30 26.205 32.762 45.781 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.600 34.634 45.177 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.947 33.380 46.212 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.672 36.693 46.503 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.755 34.027 48.091 1.00 0.00 H new ATOM 0 HE1 PHE A 30 25.014 38.396 48.145 1.00 0.00 H new ATOM 0 HE2 PHE A 30 22.095 35.728 49.737 1.00 0.00 H new ATOM 0 HZ PHE A 30 23.227 37.915 49.769 1.00 0.00 H new ATOM 443 N GLY A 31 27.168 34.969 44.682 1.00 0.00 N ATOM 444 CA GLY A 31 28.118 35.943 44.176 1.00 0.00 C ATOM 445 C GLY A 31 27.800 36.380 42.760 1.00 0.00 C ATOM 446 O GLY A 31 26.751 36.036 42.216 1.00 0.00 O ATOM 0 H GLY A 31 26.577 34.537 43.971 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.123 36.815 44.830 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.121 35.517 44.205 1.00 0.00 H new ATOM 450 N PHE A 32 28.708 37.144 42.160 1.00 0.00 N ATOM 451 CA PHE A 32 28.519 37.632 40.799 1.00 0.00 C ATOM 452 C PHE A 32 29.750 37.348 39.944 1.00 0.00 C ATOM 453 O PHE A 32 30.835 37.087 40.465 1.00 0.00 O ATOM 454 CB PHE A 32 28.226 39.133 40.809 1.00 0.00 C ATOM 455 CG PHE A 32 26.835 39.470 41.266 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.442 39.222 42.572 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.922 40.034 40.391 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.162 39.530 42.994 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.641 40.344 40.808 1.00 0.00 C ATOM 460 CZ PHE A 32 24.261 40.093 42.112 1.00 0.00 C ATOM 0 H PHE A 32 29.582 37.438 42.596 1.00 0.00 H new ATOM 0 HA PHE A 32 27.668 37.106 40.366 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.944 39.631 41.460 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.376 39.531 39.805 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.143 38.784 43.267 1.00 0.00 H new ATOM 0 HD2 PHE A 32 26.214 40.234 39.371 1.00 0.00 H new ATOM 0 HE1 PHE A 32 24.867 39.330 44.013 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.938 40.782 40.115 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.262 40.337 42.441 1.00 0.00 H new ATOM 470 N ILE A 33 29.573 37.400 38.628 1.00 0.00 N ATOM 471 CA ILE A 33 30.669 37.150 37.700 1.00 0.00 C ATOM 472 C ILE A 33 30.779 38.265 36.665 1.00 0.00 C ATOM 473 O ILE A 33 29.838 38.523 35.915 1.00 0.00 O ATOM 474 CB ILE A 33 30.494 35.804 36.972 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.207 34.688 37.978 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.734 35.480 36.152 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.921 33.351 37.332 1.00 0.00 C ATOM 0 H ILE A 33 28.681 37.613 38.181 1.00 0.00 H new ATOM 0 HA ILE A 33 31.583 37.117 38.293 1.00 0.00 H new ATOM 0 HB ILE A 33 29.644 35.883 36.294 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.062 34.584 38.646 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.354 34.975 38.593 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.595 34.526 35.644 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.897 36.265 35.413 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.600 35.417 36.811 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.727 32.608 38.105 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.048 33.439 36.685 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.782 33.042 36.739 1.00 0.00 H new ATOM 489 N GLU A 34 31.935 38.921 36.630 1.00 0.00 N ATOM 490 CA GLU A 34 32.167 40.007 35.686 1.00 0.00 C ATOM 491 C GLU A 34 32.338 39.469 34.269 1.00 0.00 C ATOM 492 O GLU A 34 33.359 38.864 33.942 1.00 0.00 O ATOM 493 CB GLU A 34 33.406 40.809 36.092 1.00 0.00 C ATOM 494 CG GLU A 34 33.185 42.312 36.092 1.00 0.00 C ATOM 495 CD GLU A 34 34.225 43.054 35.275 1.00 0.00 C ATOM 496 OE1 GLU A 34 35.422 42.718 35.390 1.00 0.00 O ATOM 497 OE2 GLU A 34 33.841 43.972 34.520 1.00 0.00 O ATOM 0 H GLU A 34 32.724 38.719 37.244 1.00 0.00 H new ATOM 0 HA GLU A 34 31.296 40.662 35.704 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.720 40.497 37.088 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.222 40.570 35.410 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.193 42.530 35.695 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.205 42.679 37.118 1.00 0.00 H new ATOM 504 N ARG A 35 31.331 39.694 33.431 1.00 0.00 N ATOM 505 CA ARG A 35 31.368 39.230 32.049 1.00 0.00 C ATOM 506 C ARG A 35 32.623 39.733 31.341 1.00 0.00 C ATOM 507 O ARG A 35 33.330 38.965 30.689 1.00 0.00 O ATOM 508 CB ARG A 35 30.122 39.701 31.298 1.00 0.00 C ATOM 509 CG ARG A 35 29.395 38.585 30.565 1.00 0.00 C ATOM 510 CD ARG A 35 29.886 38.446 29.133 1.00 0.00 C ATOM 511 NE ARG A 35 31.016 37.526 29.029 1.00 0.00 N ATOM 512 CZ ARG A 35 31.390 36.948 27.894 1.00 0.00 C ATOM 513 NH1 ARG A 35 30.729 37.193 26.771 1.00 0.00 N ATOM 514 NH2 ARG A 35 32.429 36.122 27.879 1.00 0.00 N ATOM 0 H ARG A 35 30.479 40.195 33.685 1.00 0.00 H new ATOM 0 HA ARG A 35 31.388 38.140 32.057 1.00 0.00 H new ATOM 0 HB2 ARG A 35 29.436 40.167 32.005 1.00 0.00 H new ATOM 0 HB3 ARG A 35 30.409 40.469 30.580 1.00 0.00 H new ATOM 0 HG2 ARG A 35 29.543 37.644 31.094 1.00 0.00 H new ATOM 0 HG3 ARG A 35 28.324 38.786 30.565 1.00 0.00 H new ATOM 0 HD2 ARG A 35 29.070 38.091 28.503 1.00 0.00 H new ATOM 0 HD3 ARG A 35 30.179 39.425 28.754 1.00 0.00 H new ATOM 0 HE ARG A 35 31.547 37.316 29.875 1.00 0.00 H new ATOM 0 HH11 ARG A 35 29.930 37.827 26.777 1.00 0.00 H new ATOM 0 HH12 ARG A 35 31.019 36.747 25.901 1.00 0.00 H new ATOM 0 HH21 ARG A 35 32.941 35.931 28.740 1.00 0.00 H new ATOM 0 HH22 ARG A 35 32.715 35.678 27.006 1.00 0.00 H new ATOM 528 N GLY A 36 32.893 41.028 31.473 1.00 0.00 N ATOM 529 CA GLY A 36 34.061 41.611 30.840 1.00 0.00 C ATOM 530 C GLY A 36 33.765 42.139 29.451 1.00 0.00 C ATOM 531 O GLY A 36 33.824 43.346 29.212 1.00 0.00 O ATOM 0 H GLY A 36 32.323 41.684 32.007 1.00 0.00 H new ATOM 0 HA2 GLY A 36 34.440 42.423 31.461 1.00 0.00 H new ATOM 0 HA3 GLY A 36 34.850 40.861 30.780 1.00 0.00 H new ATOM 535 N ASP A 37 33.447 41.235 28.531 1.00 0.00 N ATOM 536 CA ASP A 37 33.141 41.616 27.157 1.00 0.00 C ATOM 537 C ASP A 37 31.984 42.609 27.114 1.00 0.00 C ATOM 538 O ASP A 37 32.026 43.597 26.380 1.00 0.00 O ATOM 539 CB ASP A 37 32.800 40.379 26.326 1.00 0.00 C ATOM 540 CG ASP A 37 33.284 40.492 24.894 1.00 0.00 C ATOM 541 OD1 ASP A 37 34.492 40.735 24.693 1.00 0.00 O ATOM 542 OD2 ASP A 37 32.454 40.335 23.974 1.00 0.00 O ATOM 0 H ASP A 37 33.394 40.233 28.712 1.00 0.00 H new ATOM 0 HA ASP A 37 34.023 42.096 26.733 1.00 0.00 H new ATOM 0 HB2 ASP A 37 33.247 39.499 26.789 1.00 0.00 H new ATOM 0 HB3 ASP A 37 31.721 40.228 26.331 1.00 0.00 H new ATOM 547 N VAL A 38 30.949 42.339 27.904 1.00 0.00 N ATOM 548 CA VAL A 38 29.780 43.208 27.956 1.00 0.00 C ATOM 549 C VAL A 38 29.626 43.840 29.335 1.00 0.00 C ATOM 550 O VAL A 38 30.404 43.563 30.247 1.00 0.00 O ATOM 551 CB VAL A 38 28.492 42.437 27.610 1.00 0.00 C ATOM 552 CG1 VAL A 38 28.505 42.004 26.152 1.00 0.00 C ATOM 553 CG2 VAL A 38 28.326 41.237 28.530 1.00 0.00 C ATOM 0 H VAL A 38 30.897 41.525 28.517 1.00 0.00 H new ATOM 0 HA VAL A 38 29.935 43.992 27.215 1.00 0.00 H new ATOM 0 HB VAL A 38 27.640 43.101 27.760 1.00 0.00 H new ATOM 0 HG11 VAL A 38 27.588 41.461 25.926 1.00 0.00 H new ATOM 0 HG12 VAL A 38 28.573 42.884 25.512 1.00 0.00 H new ATOM 0 HG13 VAL A 38 29.363 41.357 25.972 1.00 0.00 H new ATOM 0 HG21 VAL A 38 27.411 40.704 28.271 1.00 0.00 H new ATOM 0 HG22 VAL A 38 29.180 40.569 28.415 1.00 0.00 H new ATOM 0 HG23 VAL A 38 28.268 41.577 29.564 1.00 0.00 H new ATOM 563 N VAL A 39 28.615 44.691 29.480 1.00 0.00 N ATOM 564 CA VAL A 39 28.356 45.362 30.748 1.00 0.00 C ATOM 565 C VAL A 39 27.126 44.781 31.437 1.00 0.00 C ATOM 566 O VAL A 39 26.356 45.503 32.070 1.00 0.00 O ATOM 567 CB VAL A 39 28.154 46.876 30.552 1.00 0.00 C ATOM 568 CG1 VAL A 39 29.472 47.550 30.199 1.00 0.00 C ATOM 569 CG2 VAL A 39 27.108 47.138 29.478 1.00 0.00 C ATOM 0 H VAL A 39 27.962 44.932 28.734 1.00 0.00 H new ATOM 0 HA VAL A 39 29.232 45.199 31.376 1.00 0.00 H new ATOM 0 HB VAL A 39 27.796 47.302 31.489 1.00 0.00 H new ATOM 0 HG11 VAL A 39 29.309 48.619 30.064 1.00 0.00 H new ATOM 0 HG12 VAL A 39 30.189 47.391 31.004 1.00 0.00 H new ATOM 0 HG13 VAL A 39 29.863 47.123 29.275 1.00 0.00 H new ATOM 0 HG21 VAL A 39 26.977 48.213 29.352 1.00 0.00 H new ATOM 0 HG22 VAL A 39 27.436 46.699 28.536 1.00 0.00 H new ATOM 0 HG23 VAL A 39 26.160 46.690 29.776 1.00 0.00 H new ATOM 579 N LYS A 40 26.947 43.471 31.309 1.00 0.00 N ATOM 580 CA LYS A 40 25.812 42.790 31.920 1.00 0.00 C ATOM 581 C LYS A 40 26.281 41.756 32.939 1.00 0.00 C ATOM 582 O LYS A 40 27.095 40.889 32.625 1.00 0.00 O ATOM 583 CB LYS A 40 24.959 42.112 30.846 1.00 0.00 C ATOM 584 CG LYS A 40 24.400 43.077 29.814 1.00 0.00 C ATOM 585 CD LYS A 40 24.566 42.542 28.402 1.00 0.00 C ATOM 586 CE LYS A 40 23.469 43.051 27.480 1.00 0.00 C ATOM 587 NZ LYS A 40 23.879 44.288 26.760 1.00 0.00 N ATOM 0 H LYS A 40 27.574 42.859 30.787 1.00 0.00 H new ATOM 0 HA LYS A 40 25.209 43.536 32.437 1.00 0.00 H new ATOM 0 HB2 LYS A 40 25.561 41.358 30.338 1.00 0.00 H new ATOM 0 HB3 LYS A 40 24.133 41.589 31.327 1.00 0.00 H new ATOM 0 HG2 LYS A 40 23.343 43.254 30.015 1.00 0.00 H new ATOM 0 HG3 LYS A 40 24.906 44.038 29.902 1.00 0.00 H new ATOM 0 HD2 LYS A 40 25.539 42.840 28.011 1.00 0.00 H new ATOM 0 HD3 LYS A 40 24.550 41.452 28.421 1.00 0.00 H new ATOM 0 HE2 LYS A 40 23.215 42.277 26.756 1.00 0.00 H new ATOM 0 HE3 LYS A 40 22.569 43.251 28.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.104 44.603 26.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 24.097 45.035 27.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 24.723 44.091 26.184 1.00 0.00 H new ATOM 601 N GLU A 41 25.760 41.854 34.158 1.00 0.00 N ATOM 602 CA GLU A 41 26.126 40.926 35.222 1.00 0.00 C ATOM 603 C GLU A 41 24.996 39.938 35.494 1.00 0.00 C ATOM 604 O GLU A 41 23.883 40.098 34.992 1.00 0.00 O ATOM 605 CB GLU A 41 26.468 41.692 36.501 1.00 0.00 C ATOM 606 CG GLU A 41 27.602 42.688 36.330 1.00 0.00 C ATOM 607 CD GLU A 41 27.110 44.119 36.219 1.00 0.00 C ATOM 608 OE1 GLU A 41 26.279 44.526 37.058 1.00 0.00 O ATOM 609 OE2 GLU A 41 27.555 44.830 35.294 1.00 0.00 O ATOM 0 H GLU A 41 25.084 42.566 34.433 1.00 0.00 H new ATOM 0 HA GLU A 41 27.003 40.367 34.897 1.00 0.00 H new ATOM 0 HB2 GLU A 41 25.580 42.221 36.846 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.737 40.979 37.280 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.283 42.607 37.177 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.173 42.434 35.437 1.00 0.00 H new ATOM 616 N ILE A 42 25.291 38.916 36.291 1.00 0.00 N ATOM 617 CA ILE A 42 24.300 37.902 36.630 1.00 0.00 C ATOM 618 C ILE A 42 24.466 37.432 38.071 1.00 0.00 C ATOM 619 O ILE A 42 25.481 37.707 38.712 1.00 0.00 O ATOM 620 CB ILE A 42 24.395 36.685 35.691 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.538 35.766 36.126 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.594 37.141 34.253 1.00 0.00 C ATOM 623 CD1 ILE A 42 26.884 36.454 36.171 1.00 0.00 C ATOM 0 H ILE A 42 26.208 38.768 36.714 1.00 0.00 H new ATOM 0 HA ILE A 42 23.321 38.366 36.512 1.00 0.00 H new ATOM 0 HB ILE A 42 23.461 36.126 35.749 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.313 35.362 37.113 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.594 34.920 35.441 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.659 36.270 33.601 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.751 37.760 33.948 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.515 37.720 34.179 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.646 35.742 36.487 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.132 36.834 35.180 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.846 37.282 36.878 1.00 0.00 H new ATOM 635 N PHE A 43 23.464 36.720 38.575 1.00 0.00 N ATOM 636 CA PHE A 43 23.499 36.210 39.941 1.00 0.00 C ATOM 637 C PHE A 43 23.487 34.684 39.952 1.00 0.00 C ATOM 638 O PHE A 43 22.622 34.054 39.343 1.00 0.00 O ATOM 639 CB PHE A 43 22.308 36.746 40.738 1.00 0.00 C ATOM 640 CG PHE A 43 22.189 36.150 42.112 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.494 34.967 42.310 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.773 36.771 43.204 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.383 34.417 43.573 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.665 36.225 44.469 1.00 0.00 C ATOM 645 CZ PHE A 43 21.970 35.046 44.654 1.00 0.00 C ATOM 0 H PHE A 43 22.617 36.483 38.058 1.00 0.00 H new ATOM 0 HA PHE A 43 24.423 36.552 40.407 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.398 37.829 40.827 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.391 36.547 40.184 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.034 34.470 41.468 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.319 37.692 43.065 1.00 0.00 H new ATOM 0 HE1 PHE A 43 20.838 33.496 43.715 1.00 0.00 H new ATOM 0 HE2 PHE A 43 23.124 36.720 45.312 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.886 34.617 45.641 1.00 0.00 H new ATOM 655 N PHE A 44 24.454 34.096 40.648 1.00 0.00 N ATOM 656 CA PHE A 44 24.557 32.644 40.738 1.00 0.00 C ATOM 657 C PHE A 44 24.659 32.196 42.193 1.00 0.00 C ATOM 658 O PHE A 44 25.156 32.929 43.048 1.00 0.00 O ATOM 659 CB PHE A 44 25.774 32.149 39.954 1.00 0.00 C ATOM 660 CG PHE A 44 27.083 32.452 40.623 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.703 33.678 40.440 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.695 31.512 41.437 1.00 0.00 C ATOM 663 CE1 PHE A 44 28.908 33.959 41.054 1.00 0.00 C ATOM 664 CE2 PHE A 44 28.900 31.788 42.054 1.00 0.00 C ATOM 665 CZ PHE A 44 29.507 33.014 41.863 1.00 0.00 C ATOM 0 H PHE A 44 25.178 34.602 41.158 1.00 0.00 H new ATOM 0 HA PHE A 44 23.654 32.213 40.305 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.690 31.072 39.810 1.00 0.00 H new ATOM 0 HB3 PHE A 44 25.768 32.604 38.964 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.239 34.422 39.810 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.224 30.552 41.591 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.381 34.918 40.901 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.367 31.046 42.685 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.448 33.233 42.345 1.00 0.00 H new ATOM 675 N HIS A 45 24.183 30.985 42.467 1.00 0.00 N ATOM 676 CA HIS A 45 24.220 30.437 43.819 1.00 0.00 C ATOM 677 C HIS A 45 25.295 29.362 43.940 1.00 0.00 C ATOM 678 O HIS A 45 25.403 28.479 43.088 1.00 0.00 O ATOM 679 CB HIS A 45 22.856 29.856 44.193 1.00 0.00 C ATOM 680 CG HIS A 45 22.359 30.310 45.531 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.686 29.675 46.711 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.555 31.343 45.873 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.104 30.298 47.720 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.411 31.314 47.238 1.00 0.00 N ATOM 0 H HIS A 45 23.768 30.365 41.772 1.00 0.00 H new ATOM 0 HA HIS A 45 24.463 31.247 44.507 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.129 30.136 43.430 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.920 28.768 44.188 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.109 32.058 45.197 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.182 30.023 48.762 1.00 0.00 H new ATOM 0 HE2 HIS A 45 20.859 31.970 47.790 1.00 0.00 H new ATOM 692 N TYR A 46 26.089 29.443 45.002 1.00 0.00 N ATOM 693 CA TYR A 46 27.158 28.478 45.232 1.00 0.00 C ATOM 694 C TYR A 46 26.626 27.050 45.173 1.00 0.00 C ATOM 695 O TYR A 46 27.346 26.122 44.805 1.00 0.00 O ATOM 696 CB TYR A 46 27.819 28.732 46.588 1.00 0.00 C ATOM 697 CG TYR A 46 28.889 29.801 46.550 1.00 0.00 C ATOM 698 CD1 TYR A 46 28.552 31.148 46.511 1.00 0.00 C ATOM 699 CD2 TYR A 46 30.236 29.462 46.554 1.00 0.00 C ATOM 700 CE1 TYR A 46 29.525 32.127 46.475 1.00 0.00 C ATOM 701 CE2 TYR A 46 31.217 30.435 46.520 1.00 0.00 C ATOM 702 CZ TYR A 46 30.857 31.766 46.480 1.00 0.00 C ATOM 703 OH TYR A 46 31.830 32.738 46.446 1.00 0.00 O ATOM 0 H TYR A 46 26.013 30.167 45.717 1.00 0.00 H new ATOM 0 HA TYR A 46 27.900 28.602 44.444 1.00 0.00 H new ATOM 0 HB2 TYR A 46 27.053 29.022 47.307 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.259 27.802 46.948 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.511 31.435 46.509 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.522 28.421 46.584 1.00 0.00 H new ATOM 0 HE1 TYR A 46 29.245 33.170 46.443 1.00 0.00 H new ATOM 0 HE2 TYR A 46 32.260 30.155 46.525 1.00 0.00 H new ATOM 0 HH TYR A 46 31.849 33.212 47.304 1.00 0.00 H new ATOM 713 N SER A 47 25.359 26.882 45.538 1.00 0.00 N ATOM 714 CA SER A 47 24.729 25.567 45.530 1.00 0.00 C ATOM 715 C SER A 47 24.806 24.936 44.143 1.00 0.00 C ATOM 716 O SER A 47 24.911 23.718 44.009 1.00 0.00 O ATOM 717 CB SER A 47 23.268 25.675 45.973 1.00 0.00 C ATOM 718 OG SER A 47 22.577 26.654 45.216 1.00 0.00 O ATOM 0 H SER A 47 24.749 27.640 45.843 1.00 0.00 H new ATOM 0 HA SER A 47 25.268 24.929 46.231 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.777 24.709 45.858 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.224 25.931 47.032 1.00 0.00 H new ATOM 0 HG SER A 47 21.646 26.703 45.517 1.00 0.00 H new ATOM 724 N GLU A 48 24.752 25.776 43.114 1.00 0.00 N ATOM 725 CA GLU A 48 24.815 25.301 41.736 1.00 0.00 C ATOM 726 C GLU A 48 26.262 25.175 41.270 1.00 0.00 C ATOM 727 O GLU A 48 26.576 24.368 40.395 1.00 0.00 O ATOM 728 CB GLU A 48 24.049 26.249 40.811 1.00 0.00 C ATOM 729 CG GLU A 48 22.758 25.659 40.268 1.00 0.00 C ATOM 730 CD GLU A 48 21.678 25.548 41.327 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.913 24.861 42.343 1.00 0.00 O ATOM 732 OE2 GLU A 48 20.598 26.146 41.138 1.00 0.00 O ATOM 0 H GLU A 48 24.665 26.788 43.208 1.00 0.00 H new ATOM 0 HA GLU A 48 24.352 24.315 41.697 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.819 27.166 41.354 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.692 26.526 39.975 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.396 26.279 39.448 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.960 24.671 39.855 1.00 0.00 H new ATOM 739 N PHE A 49 27.140 25.981 41.859 1.00 0.00 N ATOM 740 CA PHE A 49 28.554 25.962 41.503 1.00 0.00 C ATOM 741 C PHE A 49 29.128 24.555 41.632 1.00 0.00 C ATOM 742 O PHE A 49 28.965 23.896 42.659 1.00 0.00 O ATOM 743 CB PHE A 49 29.338 26.928 42.394 1.00 0.00 C ATOM 744 CG PHE A 49 30.826 26.846 42.203 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.411 27.275 41.023 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.639 26.339 43.204 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.779 27.199 40.845 1.00 0.00 C ATOM 748 CE2 PHE A 49 33.008 26.261 43.032 1.00 0.00 C ATOM 749 CZ PHE A 49 33.579 26.693 41.851 1.00 0.00 C ATOM 0 H PHE A 49 26.897 26.655 42.585 1.00 0.00 H new ATOM 0 HA PHE A 49 28.646 26.279 40.464 1.00 0.00 H new ATOM 0 HB2 PHE A 49 29.009 27.947 42.189 1.00 0.00 H new ATOM 0 HB3 PHE A 49 29.102 26.720 43.438 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.791 27.673 40.233 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.197 26.001 44.130 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.223 27.535 39.920 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.630 25.863 43.820 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.649 26.635 41.714 1.00 0.00 H new ATOM 759 N LYS A 50 29.801 24.099 40.580 1.00 0.00 N ATOM 760 CA LYS A 50 30.401 22.770 40.573 1.00 0.00 C ATOM 761 C LYS A 50 31.922 22.860 40.496 1.00 0.00 C ATOM 762 O LYS A 50 32.508 22.716 39.424 1.00 0.00 O ATOM 763 CB LYS A 50 29.867 21.953 39.394 1.00 0.00 C ATOM 764 CG LYS A 50 28.361 22.046 39.222 1.00 0.00 C ATOM 765 CD LYS A 50 27.627 21.563 40.461 1.00 0.00 C ATOM 766 CE LYS A 50 27.910 20.094 40.739 1.00 0.00 C ATOM 767 NZ LYS A 50 27.567 19.233 39.573 1.00 0.00 N ATOM 0 H LYS A 50 29.944 24.631 39.721 1.00 0.00 H new ATOM 0 HA LYS A 50 30.131 22.272 41.504 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.351 22.293 38.478 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.145 20.908 39.532 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.081 23.078 39.012 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.055 21.451 38.362 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.928 22.162 41.320 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.555 21.710 40.331 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.964 19.968 40.986 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.338 19.772 41.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.529 18.239 39.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.641 19.515 39.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.292 19.343 38.835 1.00 0.00 H new ATOM 781 N GLY A 51 32.555 23.098 41.640 1.00 0.00 N ATOM 782 CA GLY A 51 34.002 23.202 41.679 1.00 0.00 C ATOM 783 C GLY A 51 34.561 22.991 43.072 1.00 0.00 C ATOM 784 O GLY A 51 34.110 22.107 43.802 1.00 0.00 O ATOM 0 H GLY A 51 32.092 23.221 42.541 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.434 22.465 41.002 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.303 24.185 41.315 1.00 0.00 H new ATOM 788 N ASP A 52 35.546 23.802 43.442 1.00 0.00 N ATOM 789 CA ASP A 52 36.168 23.699 44.757 1.00 0.00 C ATOM 790 C ASP A 52 35.810 24.903 45.623 1.00 0.00 C ATOM 791 O ASP A 52 36.460 25.947 45.554 1.00 0.00 O ATOM 792 CB ASP A 52 37.687 23.588 44.619 1.00 0.00 C ATOM 793 CG ASP A 52 38.101 22.548 43.598 1.00 0.00 C ATOM 794 OD1 ASP A 52 37.611 21.402 43.684 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.915 22.879 42.711 1.00 0.00 O ATOM 0 H ASP A 52 35.931 24.538 42.850 1.00 0.00 H new ATOM 0 HA ASP A 52 35.789 22.800 45.242 1.00 0.00 H new ATOM 0 HB2 ASP A 52 38.095 24.557 44.332 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.119 23.335 45.587 1.00 0.00 H new ATOM 800 N LEU A 53 34.771 24.751 46.438 1.00 0.00 N ATOM 801 CA LEU A 53 34.325 25.826 47.317 1.00 0.00 C ATOM 802 C LEU A 53 35.351 26.093 48.414 1.00 0.00 C ATOM 803 O LEU A 53 35.308 27.128 49.078 1.00 0.00 O ATOM 804 CB LEU A 53 32.974 25.474 47.941 1.00 0.00 C ATOM 805 CG LEU A 53 31.827 26.443 47.651 1.00 0.00 C ATOM 806 CD1 LEU A 53 30.623 25.696 47.101 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.450 27.214 48.908 1.00 0.00 C ATOM 0 H LEU A 53 34.222 23.894 46.508 1.00 0.00 H new ATOM 0 HA LEU A 53 34.217 26.730 46.718 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.683 24.483 47.592 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.102 25.407 49.021 1.00 0.00 H new ATOM 0 HG LEU A 53 32.161 27.156 46.897 1.00 0.00 H new ATOM 0 HD11 LEU A 53 29.817 26.402 46.901 1.00 0.00 H new ATOM 0 HD12 LEU A 53 30.900 25.190 46.176 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.287 24.960 47.831 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.632 27.899 48.683 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.135 26.515 49.683 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.312 27.781 49.259 1.00 0.00 H new ATOM 819 N GLU A 54 36.273 25.153 48.597 1.00 0.00 N ATOM 820 CA GLU A 54 37.310 25.289 49.612 1.00 0.00 C ATOM 821 C GLU A 54 38.398 26.257 49.154 1.00 0.00 C ATOM 822 O GLU A 54 38.934 27.028 49.950 1.00 0.00 O ATOM 823 CB GLU A 54 37.927 23.924 49.929 1.00 0.00 C ATOM 824 CG GLU A 54 38.506 23.222 48.712 1.00 0.00 C ATOM 825 CD GLU A 54 38.236 21.729 48.717 1.00 0.00 C ATOM 826 OE1 GLU A 54 37.065 21.339 48.906 1.00 0.00 O ATOM 827 OE2 GLU A 54 39.196 20.952 48.533 1.00 0.00 O ATOM 0 H GLU A 54 36.323 24.290 48.056 1.00 0.00 H new ATOM 0 HA GLU A 54 36.848 25.690 50.514 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.714 24.054 50.672 1.00 0.00 H new ATOM 0 HB3 GLU A 54 37.166 23.286 50.379 1.00 0.00 H new ATOM 0 HG2 GLU A 54 38.083 23.661 47.808 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.582 23.393 48.676 1.00 0.00 H new ATOM 834 N THR A 55 38.719 26.209 47.865 1.00 0.00 N ATOM 835 CA THR A 55 39.743 27.079 47.300 1.00 0.00 C ATOM 836 C THR A 55 39.216 27.829 46.082 1.00 0.00 C ATOM 837 O THR A 55 39.346 27.364 44.949 1.00 0.00 O ATOM 838 CB THR A 55 40.997 26.282 46.895 1.00 0.00 C ATOM 839 OG1 THR A 55 40.665 25.332 45.876 1.00 0.00 O ATOM 840 CG2 THR A 55 41.590 25.560 48.095 1.00 0.00 C ATOM 0 H THR A 55 38.285 25.577 47.193 1.00 0.00 H new ATOM 0 HA THR A 55 40.012 27.795 48.076 1.00 0.00 H new ATOM 0 HB THR A 55 41.738 26.983 46.510 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.068 25.750 45.221 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.475 25.004 47.784 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.868 26.288 48.857 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.853 24.870 48.505 1.00 0.00 H new ATOM 848 N LEU A 56 38.620 28.992 46.322 1.00 0.00 N ATOM 849 CA LEU A 56 38.074 29.808 45.243 1.00 0.00 C ATOM 850 C LEU A 56 38.230 31.294 45.551 1.00 0.00 C ATOM 851 O LEU A 56 37.343 31.911 46.141 1.00 0.00 O ATOM 852 CB LEU A 56 36.597 29.474 45.022 1.00 0.00 C ATOM 853 CG LEU A 56 35.839 30.388 44.058 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.257 30.114 42.622 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.337 30.207 44.222 1.00 0.00 C ATOM 0 H LEU A 56 38.503 29.391 47.253 1.00 0.00 H new ATOM 0 HA LEU A 56 38.631 29.584 44.334 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.528 28.451 44.651 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.091 29.498 45.987 1.00 0.00 H new ATOM 0 HG LEU A 56 36.089 31.422 44.296 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.707 30.774 41.951 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.326 30.295 42.513 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.038 29.076 42.371 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.813 30.865 43.528 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.070 29.171 44.011 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.050 30.455 45.244 1.00 0.00 H new ATOM 867 N GLN A 57 39.361 31.862 45.146 1.00 0.00 N ATOM 868 CA GLN A 57 39.632 33.275 45.378 1.00 0.00 C ATOM 869 C GLN A 57 40.985 33.673 44.798 1.00 0.00 C ATOM 870 O GLN A 57 41.857 32.836 44.562 1.00 0.00 O ATOM 871 CB GLN A 57 39.595 33.584 46.876 1.00 0.00 C ATOM 872 CG GLN A 57 40.095 32.442 47.745 1.00 0.00 C ATOM 873 CD GLN A 57 40.684 32.922 49.057 1.00 0.00 C ATOM 874 OE1 GLN A 57 39.965 33.387 49.941 1.00 0.00 O ATOM 875 NE2 GLN A 57 42.001 32.810 49.190 1.00 0.00 N ATOM 0 H GLN A 57 40.104 31.365 44.655 1.00 0.00 H new ATOM 0 HA GLN A 57 38.858 33.854 44.875 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.200 34.470 47.071 1.00 0.00 H new ATOM 0 HB3 GLN A 57 38.572 33.827 47.163 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.271 31.758 47.949 1.00 0.00 H new ATOM 0 HG3 GLN A 57 40.849 31.877 47.197 1.00 0.00 H new ATOM 0 HE21 GLN A 57 42.559 32.418 48.431 1.00 0.00 H new ATOM 0 HE22 GLN A 57 42.454 33.116 50.051 1.00 0.00 H new ATOM 884 N PRO A 58 41.167 34.981 44.562 1.00 0.00 N ATOM 885 CA PRO A 58 40.136 35.986 44.838 1.00 0.00 C ATOM 886 C PRO A 58 38.951 35.878 43.884 1.00 0.00 C ATOM 887 O PRO A 58 37.807 36.112 44.272 1.00 0.00 O ATOM 888 CB PRO A 58 40.871 37.313 44.630 1.00 0.00 C ATOM 889 CG PRO A 58 41.979 36.989 43.689 1.00 0.00 C ATOM 890 CD PRO A 58 42.392 35.579 44.006 1.00 0.00 C ATOM 0 HA PRO A 58 39.710 35.870 45.834 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.208 38.072 44.215 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.254 37.705 45.572 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.650 37.076 42.654 1.00 0.00 H new ATOM 0 HG3 PRO A 58 42.814 37.678 43.817 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.729 35.049 43.115 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.213 35.552 44.722 1.00 0.00 H new ATOM 898 N GLY A 59 39.233 35.522 42.634 1.00 0.00 N ATOM 899 CA GLY A 59 38.180 35.389 41.645 1.00 0.00 C ATOM 900 C GLY A 59 38.600 34.543 40.460 1.00 0.00 C ATOM 901 O GLY A 59 38.876 35.068 39.381 1.00 0.00 O ATOM 0 H GLY A 59 40.172 35.323 42.289 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.302 34.944 42.112 1.00 0.00 H new ATOM 0 HA3 GLY A 59 37.888 36.379 41.295 1.00 0.00 H new ATOM 905 N ASP A 60 38.651 33.231 40.661 1.00 0.00 N ATOM 906 CA ASP A 60 39.042 32.310 39.600 1.00 0.00 C ATOM 907 C ASP A 60 38.030 32.334 38.459 1.00 0.00 C ATOM 908 O ASP A 60 36.831 32.498 38.684 1.00 0.00 O ATOM 909 CB ASP A 60 39.174 30.890 40.152 1.00 0.00 C ATOM 910 CG ASP A 60 40.620 30.463 40.312 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.330 30.375 39.288 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.042 30.217 41.461 1.00 0.00 O ATOM 0 H ASP A 60 38.427 32.781 41.549 1.00 0.00 H new ATOM 0 HA ASP A 60 40.008 32.632 39.211 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.672 30.831 41.118 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.665 30.195 39.484 1.00 0.00 H new ATOM 917 N ASP A 61 38.521 32.171 37.236 1.00 0.00 N ATOM 918 CA ASP A 61 37.660 32.173 36.059 1.00 0.00 C ATOM 919 C ASP A 61 36.589 31.092 36.167 1.00 0.00 C ATOM 920 O ASP A 61 36.882 29.946 36.509 1.00 0.00 O ATOM 921 CB ASP A 61 38.490 31.962 34.792 1.00 0.00 C ATOM 922 CG ASP A 61 39.676 32.903 34.714 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.480 34.075 34.327 1.00 0.00 O ATOM 924 OD2 ASP A 61 40.800 32.469 35.040 1.00 0.00 O ATOM 0 H ASP A 61 39.511 32.036 37.033 1.00 0.00 H new ATOM 0 HA ASP A 61 37.167 33.143 36.002 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.845 30.932 34.761 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.856 32.108 33.917 1.00 0.00 H new ATOM 929 N VAL A 62 35.347 31.464 35.873 1.00 0.00 N ATOM 930 CA VAL A 62 34.233 30.526 35.937 1.00 0.00 C ATOM 931 C VAL A 62 33.344 30.644 34.704 1.00 0.00 C ATOM 932 O VAL A 62 33.286 31.696 34.068 1.00 0.00 O ATOM 933 CB VAL A 62 33.378 30.755 37.197 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.104 30.252 38.435 1.00 0.00 C ATOM 935 CG2 VAL A 62 33.023 32.228 37.339 1.00 0.00 C ATOM 0 H VAL A 62 35.087 32.408 35.588 1.00 0.00 H new ATOM 0 HA VAL A 62 34.664 29.525 35.977 1.00 0.00 H new ATOM 0 HB VAL A 62 32.452 30.189 37.094 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.484 30.423 39.315 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.302 29.185 38.332 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.047 30.787 38.546 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.419 32.372 38.235 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.937 32.816 37.420 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.459 32.552 36.465 1.00 0.00 H new ATOM 945 N GLU A 63 32.653 29.558 34.373 1.00 0.00 N ATOM 946 CA GLU A 63 31.766 29.541 33.216 1.00 0.00 C ATOM 947 C GLU A 63 30.308 29.427 33.649 1.00 0.00 C ATOM 948 O GLU A 63 29.992 28.764 34.637 1.00 0.00 O ATOM 949 CB GLU A 63 32.126 28.379 32.287 1.00 0.00 C ATOM 950 CG GLU A 63 31.262 28.307 31.039 1.00 0.00 C ATOM 951 CD GLU A 63 30.228 27.201 31.108 1.00 0.00 C ATOM 952 OE1 GLU A 63 30.593 26.072 31.500 1.00 0.00 O ATOM 953 OE2 GLU A 63 29.055 27.462 30.771 1.00 0.00 O ATOM 0 H GLU A 63 32.690 28.679 34.889 1.00 0.00 H new ATOM 0 HA GLU A 63 31.894 30.480 32.678 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.171 28.472 31.990 1.00 0.00 H new ATOM 0 HB3 GLU A 63 32.033 27.443 32.837 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.757 29.262 30.896 1.00 0.00 H new ATOM 0 HG3 GLU A 63 31.899 28.149 30.169 1.00 0.00 H new ATOM 960 N PHE A 64 29.422 30.079 32.903 1.00 0.00 N ATOM 961 CA PHE A 64 27.997 30.053 33.210 1.00 0.00 C ATOM 962 C PHE A 64 27.164 30.171 31.937 1.00 0.00 C ATOM 963 O PHE A 64 27.680 30.517 30.873 1.00 0.00 O ATOM 964 CB PHE A 64 27.640 31.187 34.173 1.00 0.00 C ATOM 965 CG PHE A 64 27.998 32.550 33.653 1.00 0.00 C ATOM 966 CD1 PHE A 64 27.173 33.199 32.749 1.00 0.00 C ATOM 967 CD2 PHE A 64 29.159 33.181 34.068 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.499 34.454 32.269 1.00 0.00 C ATOM 969 CE2 PHE A 64 29.490 34.436 33.591 1.00 0.00 C ATOM 970 CZ PHE A 64 28.660 35.072 32.690 1.00 0.00 C ATOM 0 H PHE A 64 29.666 30.632 32.081 1.00 0.00 H new ATOM 0 HA PHE A 64 27.771 29.098 33.684 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.570 31.155 34.379 1.00 0.00 H new ATOM 0 HB3 PHE A 64 28.152 31.023 35.121 1.00 0.00 H new ATOM 0 HD1 PHE A 64 26.265 32.719 32.415 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.813 32.687 34.772 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.847 34.950 31.566 1.00 0.00 H new ATOM 0 HE2 PHE A 64 30.397 34.918 33.923 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.918 36.051 32.315 1.00 0.00 H new ATOM 980 N THR A 65 25.872 29.881 32.053 1.00 0.00 N ATOM 981 CA THR A 65 24.967 29.952 30.912 1.00 0.00 C ATOM 982 C THR A 65 23.833 30.937 31.171 1.00 0.00 C ATOM 983 O THR A 65 23.342 31.051 32.295 1.00 0.00 O ATOM 984 CB THR A 65 24.368 28.572 30.583 1.00 0.00 C ATOM 985 OG1 THR A 65 23.656 28.630 29.342 1.00 0.00 O ATOM 986 CG2 THR A 65 23.431 28.111 31.690 1.00 0.00 C ATOM 0 H THR A 65 25.429 29.595 32.926 1.00 0.00 H new ATOM 0 HA THR A 65 25.556 30.296 30.062 1.00 0.00 H new ATOM 0 HB THR A 65 25.186 27.856 30.499 1.00 0.00 H new ATOM 0 HG1 THR A 65 23.280 27.748 29.139 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.020 27.134 31.435 1.00 0.00 H new ATOM 0 HG22 THR A 65 23.983 28.040 32.627 1.00 0.00 H new ATOM 0 HG23 THR A 65 22.618 28.829 31.801 1.00 0.00 H new ATOM 994 N ILE A 66 23.421 31.646 30.126 1.00 0.00 N ATOM 995 CA ILE A 66 22.343 32.620 30.241 1.00 0.00 C ATOM 996 C ILE A 66 21.046 32.078 29.650 1.00 0.00 C ATOM 997 O ILE A 66 20.967 31.793 28.455 1.00 0.00 O ATOM 998 CB ILE A 66 22.701 33.942 29.537 1.00 0.00 C ATOM 999 CG1 ILE A 66 24.073 34.436 29.999 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.635 34.993 29.808 1.00 0.00 C ATOM 1001 CD1 ILE A 66 24.161 34.669 31.491 1.00 0.00 C ATOM 0 H ILE A 66 23.817 31.564 29.190 1.00 0.00 H new ATOM 0 HA ILE A 66 22.203 32.810 31.305 1.00 0.00 H new ATOM 0 HB ILE A 66 22.743 33.764 28.462 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.829 33.707 29.708 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.309 35.365 29.480 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.903 35.921 29.304 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.674 34.641 29.434 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.564 35.171 30.881 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.162 35.018 31.746 1.00 0.00 H new ATOM 0 HD12 ILE A 66 23.428 35.420 31.786 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.957 33.737 32.018 1.00 0.00 H new ATOM 1013 N LYS A 67 20.030 31.938 30.495 1.00 0.00 N ATOM 1014 CA LYS A 67 18.734 31.433 30.057 1.00 0.00 C ATOM 1015 C LYS A 67 17.899 32.546 29.432 1.00 0.00 C ATOM 1016 O LYS A 67 18.382 33.661 29.236 1.00 0.00 O ATOM 1017 CB LYS A 67 17.980 30.816 31.237 1.00 0.00 C ATOM 1018 CG LYS A 67 18.741 29.699 31.929 1.00 0.00 C ATOM 1019 CD LYS A 67 18.800 28.448 31.068 1.00 0.00 C ATOM 1020 CE LYS A 67 19.790 27.436 31.623 1.00 0.00 C ATOM 1021 NZ LYS A 67 19.154 26.524 32.614 1.00 0.00 N ATOM 0 H LYS A 67 20.079 32.167 31.488 1.00 0.00 H new ATOM 0 HA LYS A 67 18.907 30.666 29.302 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.758 31.597 31.964 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.024 30.428 30.884 1.00 0.00 H new ATOM 0 HG2 LYS A 67 19.753 30.034 32.156 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.262 29.465 32.880 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.809 27.997 31.012 1.00 0.00 H new ATOM 0 HD3 LYS A 67 19.085 28.718 30.051 1.00 0.00 H new ATOM 0 HE2 LYS A 67 20.207 26.849 30.804 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.621 27.961 32.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.861 25.849 32.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.779 27.081 33.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.377 26.004 32.158 1.00 0.00 H new ATOM 1035 N ASP A 68 16.646 32.235 29.121 1.00 0.00 N ATOM 1036 CA ASP A 68 15.743 33.210 28.520 1.00 0.00 C ATOM 1037 C ASP A 68 14.688 33.665 29.524 1.00 0.00 C ATOM 1038 O ASP A 68 13.492 33.647 29.234 1.00 0.00 O ATOM 1039 CB ASP A 68 15.065 32.615 27.285 1.00 0.00 C ATOM 1040 CG ASP A 68 14.765 33.661 26.229 1.00 0.00 C ATOM 1041 OD1 ASP A 68 14.866 34.866 26.542 1.00 0.00 O ATOM 1042 OD2 ASP A 68 14.429 33.275 25.090 1.00 0.00 O ATOM 0 H ASP A 68 16.232 31.316 29.275 1.00 0.00 H new ATOM 0 HA ASP A 68 16.332 34.077 28.220 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.707 31.845 26.857 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.137 32.127 27.583 1.00 0.00 H new ATOM 1047 N ARG A 69 15.141 34.071 30.706 1.00 0.00 N ATOM 1048 CA ARG A 69 14.236 34.529 31.754 1.00 0.00 C ATOM 1049 C ARG A 69 13.785 35.963 31.494 1.00 0.00 C ATOM 1050 O ARG A 69 14.603 36.880 31.436 1.00 0.00 O ATOM 1051 CB ARG A 69 14.916 34.436 33.121 1.00 0.00 C ATOM 1052 CG ARG A 69 14.021 33.868 34.209 1.00 0.00 C ATOM 1053 CD ARG A 69 14.176 32.360 34.327 1.00 0.00 C ATOM 1054 NE ARG A 69 13.127 31.764 35.150 1.00 0.00 N ATOM 1055 CZ ARG A 69 13.144 31.767 36.478 1.00 0.00 C ATOM 1056 NH1 ARG A 69 14.151 32.331 37.130 1.00 0.00 N ATOM 1057 NH2 ARG A 69 12.152 31.204 37.157 1.00 0.00 N ATOM 0 H ARG A 69 16.128 34.092 30.962 1.00 0.00 H new ATOM 0 HA ARG A 69 13.358 33.884 31.749 1.00 0.00 H new ATOM 0 HB2 ARG A 69 15.806 33.813 33.033 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.250 35.430 33.419 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.265 34.336 35.163 1.00 0.00 H new ATOM 0 HG3 ARG A 69 12.981 34.112 33.991 1.00 0.00 H new ATOM 0 HD2 ARG A 69 14.153 31.914 33.332 1.00 0.00 H new ATOM 0 HD3 ARG A 69 15.150 32.128 34.758 1.00 0.00 H new ATOM 0 HE ARG A 69 12.338 31.321 34.679 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.915 32.764 36.612 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.161 32.332 38.150 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.376 30.769 36.659 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.166 31.207 38.177 1.00 0.00 H new ATOM 1071 N ASN A 70 12.478 36.148 31.338 1.00 0.00 N ATOM 1072 CA ASN A 70 11.918 37.471 31.084 1.00 0.00 C ATOM 1073 C ASN A 70 12.018 38.352 32.325 1.00 0.00 C ATOM 1074 O ASN A 70 11.306 38.142 33.307 1.00 0.00 O ATOM 1075 CB ASN A 70 10.457 37.353 30.644 1.00 0.00 C ATOM 1076 CG ASN A 70 10.067 38.424 29.644 1.00 0.00 C ATOM 1077 OD1 ASN A 70 9.755 39.554 30.018 1.00 0.00 O ATOM 1078 ND2 ASN A 70 10.082 38.071 28.363 1.00 0.00 N ATOM 0 H ASN A 70 11.787 35.399 31.383 1.00 0.00 H new ATOM 0 HA ASN A 70 12.495 37.935 30.284 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.291 36.370 30.203 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.810 37.423 31.518 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.828 38.749 27.644 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.347 37.122 28.098 1.00 0.00 H new ATOM 1085 N GLY A 71 12.906 39.340 32.274 1.00 0.00 N ATOM 1086 CA GLY A 71 13.083 40.238 33.399 1.00 0.00 C ATOM 1087 C GLY A 71 14.538 40.394 33.795 1.00 0.00 C ATOM 1088 O GLY A 71 15.144 41.439 33.561 1.00 0.00 O ATOM 0 H GLY A 71 13.506 39.534 31.473 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.672 41.216 33.147 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.516 39.863 34.251 1.00 0.00 H new ATOM 1092 N LYS A 72 15.100 39.351 34.397 1.00 0.00 N ATOM 1093 CA LYS A 72 16.493 39.375 34.827 1.00 0.00 C ATOM 1094 C LYS A 72 17.272 38.216 34.213 1.00 0.00 C ATOM 1095 O LYS A 72 16.691 37.326 33.593 1.00 0.00 O ATOM 1096 CB LYS A 72 16.578 39.309 36.354 1.00 0.00 C ATOM 1097 CG LYS A 72 16.833 40.656 37.008 1.00 0.00 C ATOM 1098 CD LYS A 72 18.292 40.818 37.401 1.00 0.00 C ATOM 1099 CE LYS A 72 18.496 42.028 38.299 1.00 0.00 C ATOM 1100 NZ LYS A 72 19.906 42.143 38.763 1.00 0.00 N ATOM 0 H LYS A 72 14.612 38.478 34.598 1.00 0.00 H new ATOM 0 HA LYS A 72 16.937 40.310 34.485 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.648 38.896 36.744 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.375 38.621 36.636 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.549 41.454 36.322 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.204 40.757 37.892 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.633 39.920 37.916 1.00 0.00 H new ATOM 0 HD3 LYS A 72 18.902 40.922 36.504 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.217 42.932 37.759 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.834 41.955 39.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.004 42.980 39.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.165 41.291 39.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.535 42.238 37.941 1.00 0.00 H new ATOM 1114 N GLU A 73 18.589 38.234 34.391 1.00 0.00 N ATOM 1115 CA GLU A 73 19.446 37.184 33.854 1.00 0.00 C ATOM 1116 C GLU A 73 20.329 36.590 34.948 1.00 0.00 C ATOM 1117 O GLU A 73 21.207 37.263 35.487 1.00 0.00 O ATOM 1118 CB GLU A 73 20.318 37.734 32.723 1.00 0.00 C ATOM 1119 CG GLU A 73 19.528 38.144 31.492 1.00 0.00 C ATOM 1120 CD GLU A 73 20.082 39.393 30.833 1.00 0.00 C ATOM 1121 OE1 GLU A 73 21.080 39.280 30.091 1.00 0.00 O ATOM 1122 OE2 GLU A 73 19.516 40.483 31.060 1.00 0.00 O ATOM 0 H GLU A 73 19.085 38.964 34.903 1.00 0.00 H new ATOM 0 HA GLU A 73 18.806 36.395 33.459 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.875 38.596 33.091 1.00 0.00 H new ATOM 0 HB3 GLU A 73 21.051 36.978 32.440 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.533 37.325 30.772 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.489 38.316 31.772 1.00 0.00 H new ATOM 1129 N VAL A 74 20.088 35.323 35.273 1.00 0.00 N ATOM 1130 CA VAL A 74 20.860 34.637 36.301 1.00 0.00 C ATOM 1131 C VAL A 74 21.662 33.484 35.709 1.00 0.00 C ATOM 1132 O VAL A 74 21.265 32.888 34.708 1.00 0.00 O ATOM 1133 CB VAL A 74 19.949 34.094 37.418 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.389 35.236 38.253 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.826 33.254 36.829 1.00 0.00 C ATOM 0 H VAL A 74 19.364 34.751 34.838 1.00 0.00 H new ATOM 0 HA VAL A 74 21.545 35.371 36.725 1.00 0.00 H new ATOM 0 HB VAL A 74 20.545 33.456 38.071 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.748 34.833 39.037 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.210 35.792 38.706 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.808 35.902 37.615 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.192 32.879 37.633 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.230 33.867 36.153 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.250 32.414 36.279 1.00 0.00 H new ATOM 1145 N ALA A 75 22.792 33.173 36.335 1.00 0.00 N ATOM 1146 CA ALA A 75 23.649 32.089 35.872 1.00 0.00 C ATOM 1147 C ALA A 75 23.261 30.766 36.523 1.00 0.00 C ATOM 1148 O ALA A 75 23.067 30.692 37.737 1.00 0.00 O ATOM 1149 CB ALA A 75 25.108 32.411 36.156 1.00 0.00 C ATOM 0 H ALA A 75 23.135 33.657 37.165 1.00 0.00 H new ATOM 0 HA ALA A 75 23.514 31.987 34.795 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.736 31.592 35.805 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.385 33.329 35.638 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.249 32.542 37.229 1.00 0.00 H new ATOM 1155 N THR A 76 23.148 29.721 35.709 1.00 0.00 N ATOM 1156 CA THR A 76 22.782 28.401 36.205 1.00 0.00 C ATOM 1157 C THR A 76 23.855 27.370 35.872 1.00 0.00 C ATOM 1158 O THR A 76 24.444 27.401 34.792 1.00 0.00 O ATOM 1159 CB THR A 76 21.437 27.933 35.617 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.869 28.970 34.809 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.464 27.555 36.724 1.00 0.00 C ATOM 0 H THR A 76 23.305 29.764 34.702 1.00 0.00 H new ATOM 0 HA THR A 76 22.688 28.486 37.288 1.00 0.00 H new ATOM 0 HB THR A 76 21.621 27.053 35.001 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.015 28.665 34.437 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.522 27.228 36.284 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.887 26.746 37.319 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.285 28.420 37.362 1.00 0.00 H new ATOM 1169 N ASP A 77 24.103 26.460 36.807 1.00 0.00 N ATOM 1170 CA ASP A 77 25.105 25.418 36.611 1.00 0.00 C ATOM 1171 C ASP A 77 26.469 26.027 36.301 1.00 0.00 C ATOM 1172 O ASP A 77 26.982 25.893 35.190 1.00 0.00 O ATOM 1173 CB ASP A 77 24.682 24.479 35.480 1.00 0.00 C ATOM 1174 CG ASP A 77 23.712 23.411 35.946 1.00 0.00 C ATOM 1175 OD1 ASP A 77 23.219 23.516 37.088 1.00 0.00 O ATOM 1176 OD2 ASP A 77 23.447 22.470 35.169 1.00 0.00 O ATOM 0 H ASP A 77 23.625 26.422 37.707 1.00 0.00 H new ATOM 0 HA ASP A 77 25.184 24.846 37.536 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.221 25.061 34.682 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.567 24.003 35.057 1.00 0.00 H new ATOM 1181 N VAL A 78 27.051 26.698 37.289 1.00 0.00 N ATOM 1182 CA VAL A 78 28.355 27.328 37.122 1.00 0.00 C ATOM 1183 C VAL A 78 29.481 26.317 37.305 1.00 0.00 C ATOM 1184 O VAL A 78 29.448 25.493 38.219 1.00 0.00 O ATOM 1185 CB VAL A 78 28.552 28.485 38.120 1.00 0.00 C ATOM 1186 CG1 VAL A 78 29.939 29.090 37.968 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.476 29.543 37.927 1.00 0.00 C ATOM 0 H VAL A 78 26.640 26.820 38.214 1.00 0.00 H new ATOM 0 HA VAL A 78 28.387 27.724 36.107 1.00 0.00 H new ATOM 0 HB VAL A 78 28.463 28.089 39.132 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.060 29.906 38.681 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.692 28.326 38.159 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.060 29.473 36.955 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.630 30.353 38.640 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.531 29.937 36.912 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.495 29.098 38.090 1.00 0.00 H new ATOM 1197 N ARG A 79 30.479 26.385 36.429 1.00 0.00 N ATOM 1198 CA ARG A 79 31.616 25.475 36.493 1.00 0.00 C ATOM 1199 C ARG A 79 32.929 26.233 36.320 1.00 0.00 C ATOM 1200 O ARG A 79 33.077 27.037 35.399 1.00 0.00 O ATOM 1201 CB ARG A 79 31.492 24.394 35.417 1.00 0.00 C ATOM 1202 CG ARG A 79 30.251 23.530 35.563 1.00 0.00 C ATOM 1203 CD ARG A 79 29.363 23.619 34.331 1.00 0.00 C ATOM 1204 NE ARG A 79 28.712 22.346 34.033 1.00 0.00 N ATOM 1205 CZ ARG A 79 27.818 22.187 33.063 1.00 0.00 C ATOM 1206 NH1 ARG A 79 27.471 23.216 32.302 1.00 0.00 N ATOM 1207 NH2 ARG A 79 27.269 20.997 32.853 1.00 0.00 N ATOM 0 H ARG A 79 30.523 27.061 35.667 1.00 0.00 H new ATOM 0 HA ARG A 79 31.617 25.002 37.475 1.00 0.00 H new ATOM 0 HB2 ARG A 79 31.480 24.869 34.436 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.375 23.756 35.452 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.545 22.493 35.727 1.00 0.00 H new ATOM 0 HG3 ARG A 79 29.688 23.845 36.442 1.00 0.00 H new ATOM 0 HD2 ARG A 79 28.605 24.387 34.485 1.00 0.00 H new ATOM 0 HD3 ARG A 79 29.961 23.930 33.474 1.00 0.00 H new ATOM 0 HE ARG A 79 28.957 21.535 34.601 1.00 0.00 H new ATOM 0 HH11 ARG A 79 27.891 24.132 32.461 1.00 0.00 H new ATOM 0 HH12 ARG A 79 26.784 23.091 31.558 1.00 0.00 H new ATOM 0 HH21 ARG A 79 27.533 20.203 33.437 1.00 0.00 H new ATOM 0 HH22 ARG A 79 26.583 20.876 32.108 1.00 0.00 H new ATOM 1221 N LEU A 80 33.879 25.970 37.210 1.00 0.00 N ATOM 1222 CA LEU A 80 35.180 26.627 37.156 1.00 0.00 C ATOM 1223 C LEU A 80 35.826 26.446 35.786 1.00 0.00 C ATOM 1224 O LEU A 80 35.631 25.424 35.127 1.00 0.00 O ATOM 1225 CB LEU A 80 36.100 26.070 38.244 1.00 0.00 C ATOM 1226 CG LEU A 80 36.269 26.939 39.491 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.965 26.159 40.595 1.00 0.00 C ATOM 1228 CD2 LEU A 80 37.046 28.205 39.157 1.00 0.00 C ATOM 0 H LEU A 80 33.773 25.307 37.978 1.00 0.00 H new ATOM 0 HA LEU A 80 35.028 27.693 37.327 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.717 25.097 38.553 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.084 25.901 37.808 1.00 0.00 H new ATOM 0 HG LEU A 80 35.280 27.227 39.847 1.00 0.00 H new ATOM 0 HD11 LEU A 80 37.076 26.794 41.474 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.369 25.283 40.853 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.949 25.840 40.251 1.00 0.00 H new ATOM 0 HD21 LEU A 80 37.157 28.812 40.056 1.00 0.00 H new ATOM 0 HD22 LEU A 80 38.032 27.937 38.776 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.507 28.774 38.400 1.00 0.00 H new ATOM 1240 N LEU A 81 36.597 27.442 35.365 1.00 0.00 N ATOM 1241 CA LEU A 81 37.274 27.392 34.074 1.00 0.00 C ATOM 1242 C LEU A 81 38.663 26.777 34.211 1.00 0.00 C ATOM 1243 O LEU A 81 39.249 26.742 35.293 1.00 0.00 O ATOM 1244 CB LEU A 81 37.382 28.797 33.477 1.00 0.00 C ATOM 1245 CG LEU A 81 36.151 29.303 32.725 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.328 30.762 32.332 1.00 0.00 C ATOM 1247 CD2 LEU A 81 35.886 28.446 31.496 1.00 0.00 C ATOM 0 H LEU A 81 36.769 28.294 35.899 1.00 0.00 H new ATOM 0 HA LEU A 81 36.683 26.765 33.406 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.604 29.496 34.283 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.233 28.816 32.796 1.00 0.00 H new ATOM 0 HG LEU A 81 35.289 29.228 33.387 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.442 31.105 31.798 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.468 31.366 33.229 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.202 30.862 31.688 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.006 28.821 30.974 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.748 28.488 30.831 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.714 27.414 31.802 1.00 0.00 H new ATOM 1259 N PRO A 82 39.205 26.283 33.088 1.00 0.00 N ATOM 1260 CA PRO A 82 40.533 25.664 33.056 1.00 0.00 C ATOM 1261 C PRO A 82 41.652 26.679 33.267 1.00 0.00 C ATOM 1262 O PRO A 82 41.429 27.886 33.185 1.00 0.00 O ATOM 1263 CB PRO A 82 40.612 25.065 31.650 1.00 0.00 C ATOM 1264 CG PRO A 82 39.676 25.889 30.835 1.00 0.00 C ATOM 1265 CD PRO A 82 38.564 26.292 31.762 1.00 0.00 C ATOM 0 HA PRO A 82 40.660 24.932 33.854 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.627 25.112 31.256 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.319 24.015 31.650 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.181 26.765 30.428 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.291 25.320 29.988 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.170 27.277 31.513 1.00 0.00 H new ATOM 0 HD3 PRO A 82 37.728 25.594 31.715 1.00 0.00 H new ATOM 1273 N GLN A 83 42.854 26.180 33.537 1.00 0.00 N ATOM 1274 CA GLN A 83 44.007 27.045 33.759 1.00 0.00 C ATOM 1275 C GLN A 83 45.287 26.385 33.257 1.00 0.00 C ATOM 1276 O GLN A 83 45.828 25.487 33.901 1.00 0.00 O ATOM 1277 CB GLN A 83 44.141 27.381 35.245 1.00 0.00 C ATOM 1278 CG GLN A 83 45.248 28.377 35.546 1.00 0.00 C ATOM 1279 CD GLN A 83 46.187 27.895 36.634 1.00 0.00 C ATOM 1280 OE1 GLN A 83 46.811 26.841 36.509 1.00 0.00 O ATOM 1281 NE2 GLN A 83 46.294 28.666 37.710 1.00 0.00 N ATOM 0 H GLN A 83 43.055 25.182 33.607 1.00 0.00 H new ATOM 0 HA GLN A 83 43.851 27.967 33.198 1.00 0.00 H new ATOM 0 HB2 GLN A 83 43.194 27.783 35.605 1.00 0.00 H new ATOM 0 HB3 GLN A 83 44.329 26.463 35.801 1.00 0.00 H new ATOM 0 HG2 GLN A 83 45.818 28.566 34.637 1.00 0.00 H new ATOM 0 HG3 GLN A 83 44.805 29.326 35.848 1.00 0.00 H new ATOM 0 HE21 GLN A 83 45.758 29.532 37.772 1.00 0.00 H new ATOM 0 HE22 GLN A 83 46.912 28.392 38.474 1.00 0.00 H new ATOM 1290 N GLY A 84 45.767 26.837 32.102 1.00 0.00 N ATOM 1291 CA GLY A 84 46.980 26.279 31.534 1.00 0.00 C ATOM 1292 C GLY A 84 46.874 24.785 31.295 1.00 0.00 C ATOM 1293 O GLY A 84 47.758 24.022 31.685 1.00 0.00 O ATOM 0 H GLY A 84 45.337 27.579 31.550 1.00 0.00 H new ATOM 0 HA2 GLY A 84 47.200 26.780 30.591 1.00 0.00 H new ATOM 0 HA3 GLY A 84 47.816 26.478 32.204 1.00 0.00 H new ATOM 1297 N THR A 85 45.788 24.366 30.653 1.00 0.00 N ATOM 1298 CA THR A 85 45.569 22.954 30.365 1.00 0.00 C ATOM 1299 C THR A 85 45.413 22.149 31.650 1.00 0.00 C ATOM 1300 O THR A 85 46.382 21.921 32.373 1.00 0.00 O ATOM 1301 CB THR A 85 46.726 22.362 29.539 1.00 0.00 C ATOM 1302 OG1 THR A 85 47.477 23.415 28.923 1.00 0.00 O ATOM 1303 CG2 THR A 85 46.200 21.416 28.471 1.00 0.00 C ATOM 0 H THR A 85 45.047 24.984 30.323 1.00 0.00 H new ATOM 0 HA THR A 85 44.649 22.889 29.784 1.00 0.00 H new ATOM 0 HB THR A 85 47.373 21.800 30.212 1.00 0.00 H new ATOM 0 HG1 THR A 85 48.212 23.031 28.401 1.00 0.00 H new ATOM 0 HG21 THR A 85 47.036 21.010 27.901 1.00 0.00 H new ATOM 0 HG22 THR A 85 45.654 20.600 28.945 1.00 0.00 H new ATOM 0 HG23 THR A 85 45.533 21.958 27.801 1.00 0.00 H new ATOM 1311 N VAL A 86 44.186 21.719 31.929 1.00 0.00 N ATOM 1312 CA VAL A 86 43.903 20.937 33.126 1.00 0.00 C ATOM 1313 C VAL A 86 44.149 19.452 32.884 1.00 0.00 C ATOM 1314 O VAL A 86 43.937 18.950 31.780 1.00 0.00 O ATOM 1315 CB VAL A 86 42.450 21.136 33.597 1.00 0.00 C ATOM 1316 CG1 VAL A 86 42.227 20.460 34.941 1.00 0.00 C ATOM 1317 CG2 VAL A 86 42.113 22.617 33.673 1.00 0.00 C ATOM 0 H VAL A 86 43.372 21.900 31.341 1.00 0.00 H new ATOM 0 HA VAL A 86 44.580 21.292 33.903 1.00 0.00 H new ATOM 0 HB VAL A 86 41.784 20.672 32.870 1.00 0.00 H new ATOM 0 HG11 VAL A 86 41.195 20.611 35.258 1.00 0.00 H new ATOM 0 HG12 VAL A 86 42.425 19.392 34.849 1.00 0.00 H new ATOM 0 HG13 VAL A 86 42.901 20.891 35.681 1.00 0.00 H new ATOM 0 HG21 VAL A 86 41.083 22.739 34.007 1.00 0.00 H new ATOM 0 HG22 VAL A 86 42.784 23.107 34.379 1.00 0.00 H new ATOM 0 HG23 VAL A 86 42.230 23.068 32.688 1.00 0.00 H new ATOM 1327 N ILE A 87 44.597 18.755 33.922 1.00 0.00 N ATOM 1328 CA ILE A 87 44.870 17.326 33.822 1.00 0.00 C ATOM 1329 C ILE A 87 43.671 16.504 34.281 1.00 0.00 C ATOM 1330 O ILE A 87 42.989 16.863 35.242 1.00 0.00 O ATOM 1331 CB ILE A 87 46.101 16.929 34.658 1.00 0.00 C ATOM 1332 CG1 ILE A 87 47.295 17.817 34.302 1.00 0.00 C ATOM 1333 CG2 ILE A 87 46.441 15.462 34.435 1.00 0.00 C ATOM 1334 CD1 ILE A 87 47.684 18.776 35.405 1.00 0.00 C ATOM 0 H ILE A 87 44.779 19.156 34.842 1.00 0.00 H new ATOM 0 HA ILE A 87 45.071 17.115 32.772 1.00 0.00 H new ATOM 0 HB ILE A 87 45.867 17.073 35.713 1.00 0.00 H new ATOM 0 HG12 ILE A 87 48.150 17.184 34.063 1.00 0.00 H new ATOM 0 HG13 ILE A 87 47.059 18.386 33.403 1.00 0.00 H new ATOM 0 HG21 ILE A 87 47.313 15.196 35.032 1.00 0.00 H new ATOM 0 HG22 ILE A 87 45.595 14.843 34.733 1.00 0.00 H new ATOM 0 HG23 ILE A 87 46.659 15.295 33.380 1.00 0.00 H new ATOM 0 HD11 ILE A 87 48.537 19.374 35.084 1.00 0.00 H new ATOM 0 HD12 ILE A 87 46.844 19.434 35.628 1.00 0.00 H new ATOM 0 HD13 ILE A 87 47.952 18.213 36.299 1.00 0.00 H new ATOM 1346 N PHE A 88 43.419 15.398 33.589 1.00 0.00 N ATOM 1347 CA PHE A 88 42.302 14.523 33.926 1.00 0.00 C ATOM 1348 C PHE A 88 42.689 13.551 35.037 1.00 0.00 C ATOM 1349 O PHE A 88 43.870 13.288 35.263 1.00 0.00 O ATOM 1350 CB PHE A 88 41.844 13.746 32.690 1.00 0.00 C ATOM 1351 CG PHE A 88 40.366 13.835 32.440 1.00 0.00 C ATOM 1352 CD1 PHE A 88 39.781 15.039 32.083 1.00 0.00 C ATOM 1353 CD2 PHE A 88 39.561 12.714 32.563 1.00 0.00 C ATOM 1354 CE1 PHE A 88 38.421 15.125 31.852 1.00 0.00 C ATOM 1355 CE2 PHE A 88 38.200 12.793 32.332 1.00 0.00 C ATOM 1356 CZ PHE A 88 37.629 14.000 31.978 1.00 0.00 C ATOM 0 H PHE A 88 43.973 15.086 32.791 1.00 0.00 H new ATOM 0 HA PHE A 88 41.480 15.145 34.281 1.00 0.00 H new ATOM 0 HB2 PHE A 88 42.376 14.123 31.816 1.00 0.00 H new ATOM 0 HB3 PHE A 88 42.123 12.699 32.805 1.00 0.00 H new ATOM 0 HD1 PHE A 88 40.395 15.922 31.984 1.00 0.00 H new ATOM 0 HD2 PHE A 88 40.001 11.768 32.842 1.00 0.00 H new ATOM 0 HE1 PHE A 88 37.978 16.070 31.574 1.00 0.00 H new ATOM 0 HE2 PHE A 88 37.584 11.911 32.428 1.00 0.00 H new ATOM 0 HZ PHE A 88 36.566 14.064 31.800 1.00 0.00 H new ATOM 1366 N GLU A 89 41.684 13.020 35.728 1.00 0.00 N ATOM 1367 CA GLU A 89 41.919 12.079 36.816 1.00 0.00 C ATOM 1368 C GLU A 89 41.637 10.648 36.367 1.00 0.00 C ATOM 1369 O GLU A 89 41.388 10.393 35.189 1.00 0.00 O ATOM 1370 CB GLU A 89 41.044 12.429 38.021 1.00 0.00 C ATOM 1371 CG GLU A 89 41.778 12.353 39.349 1.00 0.00 C ATOM 1372 CD GLU A 89 42.326 13.696 39.791 1.00 0.00 C ATOM 1373 OE1 GLU A 89 41.522 14.551 40.219 1.00 0.00 O ATOM 1374 OE2 GLU A 89 43.556 13.892 39.709 1.00 0.00 O ATOM 0 H GLU A 89 40.700 13.226 35.553 1.00 0.00 H new ATOM 0 HA GLU A 89 42.968 12.151 37.105 1.00 0.00 H new ATOM 0 HB2 GLU A 89 40.648 13.436 37.891 1.00 0.00 H new ATOM 0 HB3 GLU A 89 40.190 11.752 38.048 1.00 0.00 H new ATOM 0 HG2 GLU A 89 41.100 11.972 40.113 1.00 0.00 H new ATOM 0 HG3 GLU A 89 42.598 11.640 39.266 1.00 0.00 H new ATOM 1381 N ASP A 90 41.679 9.718 37.315 1.00 0.00 N ATOM 1382 CA ASP A 90 41.427 8.312 37.019 1.00 0.00 C ATOM 1383 C ASP A 90 42.479 7.762 36.061 1.00 0.00 C ATOM 1384 O ASP A 90 42.152 7.078 35.091 1.00 0.00 O ATOM 1385 CB ASP A 90 40.032 8.137 36.419 1.00 0.00 C ATOM 1386 CG ASP A 90 39.452 6.763 36.692 1.00 0.00 C ATOM 1387 OD1 ASP A 90 40.122 5.761 36.367 1.00 0.00 O ATOM 1388 OD2 ASP A 90 38.329 6.690 37.232 1.00 0.00 O ATOM 0 H ASP A 90 41.885 9.912 38.295 1.00 0.00 H new ATOM 0 HA ASP A 90 41.484 7.753 37.953 1.00 0.00 H new ATOM 0 HB2 ASP A 90 39.366 8.897 36.828 1.00 0.00 H new ATOM 0 HB3 ASP A 90 40.080 8.301 35.342 1.00 0.00 H new ATOM 1393 N ILE A 91 43.743 8.066 36.339 1.00 0.00 N ATOM 1394 CA ILE A 91 44.842 7.602 35.502 1.00 0.00 C ATOM 1395 C ILE A 91 45.965 7.012 36.348 1.00 0.00 C ATOM 1396 O ILE A 91 47.142 7.285 36.112 1.00 0.00 O ATOM 1397 CB ILE A 91 45.410 8.742 34.637 1.00 0.00 C ATOM 1398 CG1 ILE A 91 45.865 9.905 35.521 1.00 0.00 C ATOM 1399 CG2 ILE A 91 44.371 9.211 33.629 1.00 0.00 C ATOM 1400 CD1 ILE A 91 46.672 10.948 34.780 1.00 0.00 C ATOM 0 H ILE A 91 44.031 8.632 37.138 1.00 0.00 H new ATOM 0 HA ILE A 91 44.438 6.829 34.849 1.00 0.00 H new ATOM 0 HB ILE A 91 46.275 8.366 34.090 1.00 0.00 H new ATOM 0 HG12 ILE A 91 44.989 10.381 35.961 1.00 0.00 H new ATOM 0 HG13 ILE A 91 46.462 9.513 36.344 1.00 0.00 H new ATOM 0 HG21 ILE A 91 44.788 10.017 33.025 1.00 0.00 H new ATOM 0 HG22 ILE A 91 44.091 8.380 32.982 1.00 0.00 H new ATOM 0 HG23 ILE A 91 43.489 9.572 34.157 1.00 0.00 H new ATOM 0 HD11 ILE A 91 46.960 11.742 35.469 1.00 0.00 H new ATOM 0 HD12 ILE A 91 47.567 10.487 34.363 1.00 0.00 H new ATOM 0 HD13 ILE A 91 46.071 11.368 33.974 1.00 0.00 H new ATOM 1412 N SER A 92 45.594 6.200 37.332 1.00 0.00 N ATOM 1413 CA SER A 92 46.570 5.572 38.215 1.00 0.00 C ATOM 1414 C SER A 92 45.989 4.319 38.863 1.00 0.00 C ATOM 1415 O SER A 92 44.860 3.924 38.576 1.00 0.00 O ATOM 1416 CB SER A 92 47.021 6.557 39.295 1.00 0.00 C ATOM 1417 OG SER A 92 47.869 7.555 38.754 1.00 0.00 O ATOM 0 H SER A 92 44.624 5.961 37.538 1.00 0.00 H new ATOM 0 HA SER A 92 47.433 5.283 37.615 1.00 0.00 H new ATOM 0 HB2 SER A 92 46.149 7.025 39.752 1.00 0.00 H new ATOM 0 HB3 SER A 92 47.545 6.020 40.086 1.00 0.00 H new ATOM 0 HG SER A 92 47.838 7.515 37.775 1.00 0.00 H new ATOM 1423 N GLY A 93 46.771 3.698 39.741 1.00 0.00 N ATOM 1424 CA GLY A 93 46.319 2.496 40.417 1.00 0.00 C ATOM 1425 C GLY A 93 46.456 1.258 39.554 1.00 0.00 C ATOM 1426 O GLY A 93 46.931 1.316 38.419 1.00 0.00 O ATOM 0 H GLY A 93 47.709 4.006 39.996 1.00 0.00 H new ATOM 0 HA2 GLY A 93 46.893 2.361 41.334 1.00 0.00 H new ATOM 0 HA3 GLY A 93 45.276 2.618 40.709 1.00 0.00 H new ATOM 1430 N PRO A 94 46.035 0.105 40.094 1.00 0.00 N ATOM 1431 CA PRO A 94 46.104 -1.175 39.382 1.00 0.00 C ATOM 1432 C PRO A 94 45.119 -1.246 38.220 1.00 0.00 C ATOM 1433 O PRO A 94 44.120 -0.527 38.196 1.00 0.00 O ATOM 1434 CB PRO A 94 45.737 -2.199 40.458 1.00 0.00 C ATOM 1435 CG PRO A 94 44.912 -1.439 41.439 1.00 0.00 C ATOM 1436 CD PRO A 94 45.458 -0.038 41.441 1.00 0.00 C ATOM 0 HA PRO A 94 47.084 -1.340 38.934 1.00 0.00 H new ATOM 0 HB2 PRO A 94 45.179 -3.035 40.035 1.00 0.00 H new ATOM 0 HB3 PRO A 94 46.628 -2.615 40.928 1.00 0.00 H new ATOM 0 HG2 PRO A 94 43.860 -1.448 41.154 1.00 0.00 H new ATOM 0 HG3 PRO A 94 44.977 -1.885 42.432 1.00 0.00 H new ATOM 0 HD2 PRO A 94 44.675 0.698 41.623 1.00 0.00 H new ATOM 0 HD3 PRO A 94 46.211 0.099 42.217 1.00 0.00 H new ATOM 1444 N SER A 95 45.408 -2.117 37.258 1.00 0.00 N ATOM 1445 CA SER A 95 44.549 -2.279 36.091 1.00 0.00 C ATOM 1446 C SER A 95 44.007 -3.703 36.010 1.00 0.00 C ATOM 1447 O SER A 95 44.744 -4.644 35.715 1.00 0.00 O ATOM 1448 CB SER A 95 45.319 -1.941 34.814 1.00 0.00 C ATOM 1449 OG SER A 95 46.717 -2.071 35.011 1.00 0.00 O ATOM 0 H SER A 95 46.230 -2.721 37.264 1.00 0.00 H new ATOM 0 HA SER A 95 43.708 -1.593 36.191 1.00 0.00 H new ATOM 0 HB2 SER A 95 44.999 -2.601 34.008 1.00 0.00 H new ATOM 0 HB3 SER A 95 45.086 -0.922 34.504 1.00 0.00 H new ATOM 0 HG SER A 95 47.186 -1.851 34.179 1.00 0.00 H new ATOM 1455 N SER A 96 42.712 -3.852 36.273 1.00 0.00 N ATOM 1456 CA SER A 96 42.071 -5.161 36.234 1.00 0.00 C ATOM 1457 C SER A 96 40.563 -5.033 36.432 1.00 0.00 C ATOM 1458 O SER A 96 40.101 -4.342 37.339 1.00 0.00 O ATOM 1459 CB SER A 96 42.662 -6.075 37.308 1.00 0.00 C ATOM 1460 OG SER A 96 42.148 -7.391 37.198 1.00 0.00 O ATOM 0 H SER A 96 42.087 -3.083 36.515 1.00 0.00 H new ATOM 0 HA SER A 96 42.256 -5.599 35.253 1.00 0.00 H new ATOM 0 HB2 SER A 96 43.748 -6.096 37.214 1.00 0.00 H new ATOM 0 HB3 SER A 96 42.435 -5.674 38.296 1.00 0.00 H new ATOM 0 HG SER A 96 42.543 -7.956 37.895 1.00 0.00 H new ATOM 1466 N GLY A 97 39.801 -5.705 35.575 1.00 0.00 N ATOM 1467 CA GLY A 97 38.354 -5.654 35.671 1.00 0.00 C ATOM 1468 C GLY A 97 37.736 -4.729 34.641 1.00 0.00 C ATOM 1469 O GLY A 97 36.760 -5.087 33.982 1.00 0.00 O ATOM 0 H GLY A 97 40.160 -6.284 34.816 1.00 0.00 H new ATOM 0 HA2 GLY A 97 37.949 -6.658 35.543 1.00 0.00 H new ATOM 0 HA3 GLY A 97 38.071 -5.321 36.670 1.00 0.00 H new TER 1473 GLY A 97