USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 743 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 66 SER OG : rot -63:sc= -0.62 USER MOD Set 1.2: A 100 THR OG1 : rot -84:sc= 0.00137 USER MOD Set 2.1: A 33 ASN : amide:sc= -2.43 X(o=-3.2,f=-2.8) USER MOD Set 2.2: A 56 TYR OH : rot -32:sc= -0.752 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0229) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.0304 X(o=-0.03,f=-0.39) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -14:sc= 0.844 USER MOD Single : A 10 ASN : amide:sc= 0.45 K(o=0.45,f=-2.9!) USER MOD Single : A 11 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.2) USER MOD Single : A 19 THR OG1 : rot -31:sc= 0.27 USER MOD Single : A 20 CYS SG : rot 21:sc= 0.445 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 39:sc= 0.0278 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 89:sc= 0.284 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000323) USER MOD Single : A 55 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 57 CYS SG : rot -51:sc= 0.608 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.05 X(o=-2.1,f=-2.1) USER MOD Single : A 74 THR OG1 : rot 83:sc= 0.494 USER MOD Single : A 79 THR OG1 : rot -46:sc= 0.546 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -130:sc= -3.74! USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc=-0.00584 X(o=-0.0058,f=-0.0058) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.074 -32.345 -30.721 1.00 25.44 N ATOM 2 CA MET A 1 11.248 -32.629 -29.553 1.00 52.41 C ATOM 3 C MET A 1 12.107 -33.074 -28.374 1.00 11.22 C ATOM 4 O MET A 1 12.141 -34.255 -28.030 1.00 65.20 O ATOM 5 CB MET A 1 10.215 -33.708 -29.883 1.00 12.13 C ATOM 6 CG MET A 1 9.109 -33.228 -30.809 1.00 32.05 C ATOM 7 SD MET A 1 7.878 -34.503 -31.139 1.00 34.10 S ATOM 8 CE MET A 1 6.649 -33.562 -32.041 1.00 1.02 C ATOM 0 H1 MET A 1 11.478 -31.964 -31.483 1.00 25.44 H new ATOM 0 H2 MET A 1 12.803 -31.647 -30.469 1.00 25.44 H new ATOM 0 H3 MET A 1 12.531 -33.221 -31.044 1.00 25.44 H new ATOM 0 HA MET A 1 10.729 -31.712 -29.275 1.00 52.41 H new ATOM 0 HB2 MET A 1 10.722 -34.555 -30.345 1.00 12.13 H new ATOM 0 HB3 MET A 1 9.770 -34.069 -28.956 1.00 12.13 H new ATOM 0 HG2 MET A 1 8.619 -32.362 -30.365 1.00 32.05 H new ATOM 0 HG3 MET A 1 9.547 -32.898 -31.751 1.00 32.05 H new ATOM 0 HE1 MET A 1 5.821 -34.215 -32.316 1.00 1.02 H new ATOM 0 HE2 MET A 1 6.279 -32.751 -31.414 1.00 1.02 H new ATOM 0 HE3 MET A 1 7.099 -33.147 -32.943 1.00 1.02 H new ATOM 18 N SER A 2 12.799 -32.120 -27.758 1.00 70.43 N ATOM 19 CA SER A 2 13.661 -32.416 -26.620 1.00 42.50 C ATOM 20 C SER A 2 14.166 -31.129 -25.973 1.00 63.32 C ATOM 21 O SER A 2 14.373 -30.122 -26.648 1.00 64.14 O ATOM 22 CB SER A 2 14.846 -33.278 -27.061 1.00 11.54 C ATOM 23 OG SER A 2 15.995 -32.483 -27.296 1.00 43.30 O ATOM 0 H SER A 2 12.779 -31.137 -28.028 1.00 70.43 H new ATOM 0 HA SER A 2 13.075 -32.967 -25.884 1.00 42.50 H new ATOM 0 HB2 SER A 2 15.065 -34.021 -26.294 1.00 11.54 H new ATOM 0 HB3 SER A 2 14.585 -33.823 -27.968 1.00 11.54 H new ATOM 0 HG SER A 2 16.739 -33.057 -27.575 1.00 43.30 H new ATOM 29 N ASN A 3 14.362 -31.173 -24.659 1.00 42.54 N ATOM 30 CA ASN A 3 14.842 -30.011 -23.920 1.00 25.04 C ATOM 31 C ASN A 3 16.062 -30.370 -23.076 1.00 11.42 C ATOM 32 O ASN A 3 16.464 -31.530 -23.009 1.00 75.52 O ATOM 33 CB ASN A 3 13.733 -29.457 -23.023 1.00 42.23 C ATOM 34 CG ASN A 3 13.340 -30.425 -21.924 1.00 40.03 C ATOM 35 OD1 ASN A 3 14.003 -30.511 -20.891 1.00 4.22 O ATOM 36 ND2 ASN A 3 12.256 -31.160 -22.143 1.00 61.15 N ATOM 0 H ASN A 3 14.196 -32.000 -24.085 1.00 42.54 H new ATOM 0 HA ASN A 3 15.132 -29.247 -24.641 1.00 25.04 H new ATOM 0 HB2 ASN A 3 14.065 -28.520 -22.576 1.00 42.23 H new ATOM 0 HB3 ASN A 3 12.858 -29.228 -23.631 1.00 42.23 H new ATOM 0 HD21 ASN A 3 11.943 -31.829 -21.440 1.00 61.15 H new ATOM 0 HD22 ASN A 3 11.737 -31.056 -23.015 1.00 61.15 H new ATOM 43 N ASN A 4 16.646 -29.364 -22.432 1.00 51.13 N ATOM 44 CA ASN A 4 17.820 -29.573 -21.592 1.00 54.13 C ATOM 45 C ASN A 4 17.627 -28.934 -20.220 1.00 63.02 C ATOM 46 O ASN A 4 17.413 -29.626 -19.226 1.00 75.31 O ATOM 47 CB ASN A 4 19.065 -28.994 -22.267 1.00 11.22 C ATOM 48 CG ASN A 4 19.468 -29.774 -23.503 1.00 64.00 C ATOM 49 OD1 ASN A 4 19.969 -30.895 -23.407 1.00 41.44 O ATOM 50 ND2 ASN A 4 19.252 -29.183 -24.672 1.00 51.03 N ATOM 0 H ASN A 4 16.326 -28.397 -22.476 1.00 51.13 H new ATOM 0 HA ASN A 4 17.954 -30.646 -21.458 1.00 54.13 H new ATOM 0 HB2 ASN A 4 18.877 -27.956 -22.541 1.00 11.22 H new ATOM 0 HB3 ASN A 4 19.892 -28.991 -21.557 1.00 11.22 H new ATOM 0 HD21 ASN A 4 19.504 -29.659 -25.538 1.00 51.03 H new ATOM 0 HD22 ASN A 4 18.834 -28.253 -24.704 1.00 51.03 H new ATOM 57 N GLY A 5 17.706 -27.607 -20.175 1.00 35.43 N ATOM 58 CA GLY A 5 17.537 -26.897 -18.920 1.00 64.14 C ATOM 59 C GLY A 5 18.828 -26.272 -18.431 1.00 5.33 C ATOM 60 O GLY A 5 19.908 -26.586 -18.931 1.00 34.54 O ATOM 0 H GLY A 5 17.884 -27.012 -20.984 1.00 35.43 H new ATOM 0 HA2 GLY A 5 16.784 -26.119 -19.045 1.00 64.14 H new ATOM 0 HA3 GLY A 5 17.161 -27.586 -18.164 1.00 64.14 H new ATOM 64 N GLY A 6 18.718 -25.381 -17.450 1.00 1.31 N ATOM 65 CA GLY A 6 19.893 -24.722 -16.910 1.00 63.12 C ATOM 66 C GLY A 6 19.646 -24.128 -15.538 1.00 23.44 C ATOM 67 O GLY A 6 18.702 -23.363 -15.347 1.00 0.21 O ATOM 0 H GLY A 6 17.836 -25.104 -17.020 1.00 1.31 H new ATOM 0 HA2 GLY A 6 20.712 -25.439 -16.850 1.00 63.12 H new ATOM 0 HA3 GLY A 6 20.209 -23.933 -17.592 1.00 63.12 H new ATOM 71 N GLU A 7 20.496 -24.484 -14.579 1.00 43.51 N ATOM 72 CA GLU A 7 20.363 -23.982 -13.216 1.00 50.35 C ATOM 73 C GLU A 7 21.056 -22.631 -13.064 1.00 2.11 C ATOM 74 O GLU A 7 21.914 -22.251 -13.862 1.00 32.25 O ATOM 75 CB GLU A 7 20.950 -24.984 -12.221 1.00 21.15 C ATOM 76 CG GLU A 7 19.904 -25.852 -11.542 1.00 73.23 C ATOM 77 CD GLU A 7 19.629 -27.136 -12.302 1.00 2.33 C ATOM 78 OE1 GLU A 7 20.549 -27.974 -12.404 1.00 43.41 O ATOM 79 OE2 GLU A 7 18.493 -27.302 -12.794 1.00 2.14 O ATOM 0 H GLU A 7 21.283 -25.117 -14.721 1.00 43.51 H new ATOM 0 HA GLU A 7 19.301 -23.852 -13.006 1.00 50.35 H new ATOM 0 HB2 GLU A 7 21.660 -25.626 -12.741 1.00 21.15 H new ATOM 0 HB3 GLU A 7 21.510 -24.441 -11.459 1.00 21.15 H new ATOM 0 HG2 GLU A 7 20.238 -26.096 -10.534 1.00 73.23 H new ATOM 0 HG3 GLU A 7 18.977 -25.287 -11.443 1.00 73.23 H new ATOM 86 N PRO A 8 20.676 -21.887 -12.015 1.00 4.44 N ATOM 87 CA PRO A 8 21.248 -20.567 -11.732 1.00 2.21 C ATOM 88 C PRO A 8 22.700 -20.650 -11.272 1.00 73.31 C ATOM 89 O PRO A 8 23.309 -21.720 -11.298 1.00 54.24 O ATOM 90 CB PRO A 8 20.361 -20.029 -10.606 1.00 72.44 C ATOM 91 CG PRO A 8 19.816 -21.245 -9.940 1.00 24.52 C ATOM 92 CD PRO A 8 19.660 -22.277 -11.023 1.00 51.52 C ATOM 0 HA PRO A 8 21.266 -19.933 -12.619 1.00 2.21 H new ATOM 0 HB2 PRO A 8 20.934 -19.418 -9.908 1.00 72.44 H new ATOM 0 HB3 PRO A 8 19.562 -19.400 -10.998 1.00 72.44 H new ATOM 0 HG2 PRO A 8 20.490 -21.598 -9.160 1.00 24.52 H new ATOM 0 HG3 PRO A 8 18.859 -21.033 -9.463 1.00 24.52 H new ATOM 0 HD2 PRO A 8 19.833 -23.285 -10.646 1.00 51.52 H new ATOM 0 HD3 PRO A 8 18.657 -22.264 -11.449 1.00 51.52 H new ATOM 100 N SER A 9 23.248 -19.515 -10.851 1.00 23.35 N ATOM 101 CA SER A 9 24.630 -19.460 -10.388 1.00 1.13 C ATOM 102 C SER A 9 24.866 -18.221 -9.529 1.00 61.02 C ATOM 103 O SER A 9 25.549 -17.286 -9.944 1.00 51.25 O ATOM 104 CB SER A 9 25.590 -19.459 -11.579 1.00 74.03 C ATOM 105 OG SER A 9 25.450 -20.642 -12.347 1.00 50.34 O ATOM 0 H SER A 9 22.757 -18.622 -10.821 1.00 23.35 H new ATOM 0 HA SER A 9 24.819 -20.344 -9.780 1.00 1.13 H new ATOM 0 HB2 SER A 9 25.395 -18.589 -12.206 1.00 74.03 H new ATOM 0 HB3 SER A 9 26.616 -19.372 -11.223 1.00 74.03 H new ATOM 0 HG SER A 9 24.931 -21.301 -11.840 1.00 50.34 H new ATOM 111 N ASN A 10 24.295 -18.223 -8.329 1.00 24.21 N ATOM 112 CA ASN A 10 24.442 -17.100 -7.411 1.00 5.43 C ATOM 113 C ASN A 10 25.500 -17.397 -6.352 1.00 61.11 C ATOM 114 O ASN A 10 25.645 -18.535 -5.908 1.00 0.04 O ATOM 115 CB ASN A 10 23.105 -16.786 -6.737 1.00 51.03 C ATOM 116 CG ASN A 10 22.480 -18.009 -6.095 1.00 71.42 C ATOM 117 OD1 ASN A 10 22.132 -18.973 -6.778 1.00 24.33 O ATOM 118 ND2 ASN A 10 22.334 -17.975 -4.776 1.00 31.53 N ATOM 0 H ASN A 10 23.726 -18.990 -7.970 1.00 24.21 H new ATOM 0 HA ASN A 10 24.763 -16.233 -7.987 1.00 5.43 H new ATOM 0 HB2 ASN A 10 23.255 -16.018 -5.979 1.00 51.03 H new ATOM 0 HB3 ASN A 10 22.417 -16.375 -7.475 1.00 51.03 H new ATOM 0 HD21 ASN A 10 21.919 -18.769 -4.288 1.00 31.53 H new ATOM 0 HD22 ASN A 10 22.637 -17.155 -4.250 1.00 31.53 H new ATOM 125 N ASN A 11 26.236 -16.365 -5.953 1.00 22.14 N ATOM 126 CA ASN A 11 27.281 -16.515 -4.946 1.00 72.50 C ATOM 127 C ASN A 11 27.418 -15.246 -4.111 1.00 22.12 C ATOM 128 O ASN A 11 27.526 -15.305 -2.887 1.00 2.43 O ATOM 129 CB ASN A 11 28.617 -16.847 -5.613 1.00 60.43 C ATOM 130 CG ASN A 11 28.861 -16.021 -6.861 1.00 61.13 C ATOM 131 OD1 ASN A 11 28.193 -16.202 -7.879 1.00 53.23 O ATOM 132 ND2 ASN A 11 29.823 -15.108 -6.788 1.00 31.52 N ATOM 0 H ASN A 11 26.128 -15.416 -6.311 1.00 22.14 H new ATOM 0 HA ASN A 11 26.999 -17.335 -4.285 1.00 72.50 H new ATOM 0 HB2 ASN A 11 29.427 -16.676 -4.903 1.00 60.43 H new ATOM 0 HB3 ASN A 11 28.638 -17.906 -5.871 1.00 60.43 H new ATOM 0 HD21 ASN A 11 30.033 -14.523 -7.596 1.00 31.52 H new ATOM 0 HD22 ASN A 11 30.352 -14.992 -5.923 1.00 31.52 H new ATOM 139 N GLY A 12 27.413 -14.099 -4.782 1.00 55.54 N ATOM 140 CA GLY A 12 27.537 -12.831 -4.087 1.00 34.15 C ATOM 141 C GLY A 12 28.978 -12.479 -3.776 1.00 51.33 C ATOM 142 O GLY A 12 29.678 -11.907 -4.611 1.00 21.30 O ATOM 0 H GLY A 12 27.325 -14.025 -5.796 1.00 55.54 H new ATOM 0 HA2 GLY A 12 27.097 -12.042 -4.696 1.00 34.15 H new ATOM 0 HA3 GLY A 12 26.968 -12.872 -3.158 1.00 34.15 H new ATOM 146 N GLY A 13 29.423 -12.819 -2.570 1.00 75.02 N ATOM 147 CA GLY A 13 30.787 -12.525 -2.173 1.00 31.35 C ATOM 148 C GLY A 13 31.082 -12.959 -0.750 1.00 43.43 C ATOM 149 O GLY A 13 31.329 -12.125 0.120 1.00 14.33 O ATOM 0 H GLY A 13 28.863 -13.293 -1.861 1.00 75.02 H new ATOM 0 HA2 GLY A 13 31.476 -13.026 -2.853 1.00 31.35 H new ATOM 0 HA3 GLY A 13 30.967 -11.454 -2.268 1.00 31.35 H new ATOM 153 N GLU A 14 31.056 -14.267 -0.514 1.00 51.41 N ATOM 154 CA GLU A 14 31.321 -14.808 0.814 1.00 54.22 C ATOM 155 C GLU A 14 32.819 -14.841 1.099 1.00 3.31 C ATOM 156 O GLU A 14 33.638 -14.691 0.193 1.00 22.51 O ATOM 157 CB GLU A 14 30.735 -16.216 0.941 1.00 1.31 C ATOM 158 CG GLU A 14 31.328 -17.212 -0.041 1.00 30.54 C ATOM 159 CD GLU A 14 30.479 -18.460 -0.189 1.00 25.52 C ATOM 160 OE1 GLU A 14 29.338 -18.348 -0.683 1.00 3.53 O ATOM 161 OE2 GLU A 14 30.958 -19.551 0.189 1.00 13.53 O ATOM 0 H GLU A 14 30.854 -14.971 -1.224 1.00 51.41 H new ATOM 0 HA GLU A 14 30.844 -14.156 1.546 1.00 54.22 H new ATOM 0 HB2 GLU A 14 30.898 -16.578 1.956 1.00 1.31 H new ATOM 0 HB3 GLU A 14 29.657 -16.167 0.789 1.00 1.31 H new ATOM 0 HG2 GLU A 14 31.439 -16.735 -1.015 1.00 30.54 H new ATOM 0 HG3 GLU A 14 32.327 -17.494 0.292 1.00 30.54 H new ATOM 168 N GLY A 15 33.171 -15.037 2.366 1.00 14.14 N ATOM 169 CA GLY A 15 34.570 -15.085 2.750 1.00 75.15 C ATOM 170 C GLY A 15 34.840 -14.354 4.049 1.00 2.24 C ATOM 171 O GLY A 15 34.375 -13.232 4.247 1.00 55.03 O ATOM 0 H GLY A 15 32.512 -15.164 3.134 1.00 14.14 H new ATOM 0 HA2 GLY A 15 34.880 -16.125 2.851 1.00 75.15 H new ATOM 0 HA3 GLY A 15 35.176 -14.647 1.957 1.00 75.15 H new ATOM 175 N ALA A 16 35.594 -14.991 4.939 1.00 21.12 N ATOM 176 CA ALA A 16 35.926 -14.394 6.227 1.00 42.24 C ATOM 177 C ALA A 16 36.841 -15.307 7.036 1.00 44.44 C ATOM 178 O ALA A 16 36.674 -16.526 7.036 1.00 51.35 O ATOM 179 CB ALA A 16 34.658 -14.087 7.009 1.00 33.20 C ATOM 0 H ALA A 16 35.987 -15.921 4.792 1.00 21.12 H new ATOM 0 HA ALA A 16 36.459 -13.462 6.041 1.00 42.24 H new ATOM 0 HB1 ALA A 16 34.921 -13.642 7.968 1.00 33.20 H new ATOM 0 HB2 ALA A 16 34.041 -13.390 6.442 1.00 33.20 H new ATOM 0 HB3 ALA A 16 34.102 -15.009 7.177 1.00 33.20 H new ATOM 185 N GLU A 17 37.809 -14.708 7.723 1.00 20.22 N ATOM 186 CA GLU A 17 38.751 -15.469 8.535 1.00 24.20 C ATOM 187 C GLU A 17 39.597 -14.540 9.401 1.00 23.32 C ATOM 188 O GLU A 17 39.400 -13.326 9.404 1.00 2.01 O ATOM 189 CB GLU A 17 39.659 -16.318 7.642 1.00 75.21 C ATOM 190 CG GLU A 17 39.600 -17.804 7.953 1.00 61.45 C ATOM 191 CD GLU A 17 40.819 -18.290 8.713 1.00 13.34 C ATOM 192 OE1 GLU A 17 41.915 -18.324 8.116 1.00 21.33 O ATOM 193 OE2 GLU A 17 40.676 -18.635 9.905 1.00 43.21 O ATOM 0 H GLU A 17 37.961 -13.699 7.733 1.00 20.22 H new ATOM 0 HA GLU A 17 38.178 -16.127 9.189 1.00 24.20 H new ATOM 0 HB2 GLU A 17 39.379 -16.162 6.600 1.00 75.21 H new ATOM 0 HB3 GLU A 17 40.687 -15.973 7.751 1.00 75.21 H new ATOM 0 HG2 GLU A 17 38.704 -18.014 8.538 1.00 61.45 H new ATOM 0 HG3 GLU A 17 39.510 -18.363 7.022 1.00 61.45 H new ATOM 200 N GLY A 18 40.540 -15.122 10.136 1.00 3.24 N ATOM 201 CA GLY A 18 41.402 -14.333 10.997 1.00 12.43 C ATOM 202 C GLY A 18 41.037 -14.466 12.462 1.00 32.34 C ATOM 203 O GLY A 18 39.925 -14.125 12.867 1.00 31.24 O ATOM 0 H GLY A 18 40.722 -16.125 10.151 1.00 3.24 H new ATOM 0 HA2 GLY A 18 42.437 -14.645 10.854 1.00 12.43 H new ATOM 0 HA3 GLY A 18 41.341 -13.285 10.704 1.00 12.43 H new ATOM 207 N THR A 19 41.975 -14.966 13.261 1.00 12.03 N ATOM 208 CA THR A 19 41.746 -15.147 14.689 1.00 14.11 C ATOM 209 C THR A 19 43.063 -15.262 15.447 1.00 2.01 C ATOM 210 O THR A 19 43.692 -16.321 15.461 1.00 72.01 O ATOM 211 CB THR A 19 40.895 -16.401 14.967 1.00 3.11 C ATOM 212 OG1 THR A 19 39.788 -16.453 14.061 1.00 51.32 O ATOM 213 CG2 THR A 19 40.385 -16.402 16.400 1.00 12.31 C ATOM 0 H THR A 19 42.901 -15.253 12.943 1.00 12.03 H new ATOM 0 HA THR A 19 41.206 -14.266 15.037 1.00 14.11 H new ATOM 0 HB THR A 19 41.524 -17.279 14.821 1.00 3.11 H new ATOM 0 HG1 THR A 19 39.511 -15.542 13.830 1.00 51.32 H new ATOM 0 HG21 THR A 19 39.787 -17.297 16.573 1.00 12.31 H new ATOM 0 HG22 THR A 19 41.231 -16.393 17.087 1.00 12.31 H new ATOM 0 HG23 THR A 19 39.771 -15.517 16.568 1.00 12.31 H new ATOM 221 N CYS A 20 43.475 -14.167 16.077 1.00 64.52 N ATOM 222 CA CYS A 20 44.720 -14.146 16.838 1.00 54.02 C ATOM 223 C CYS A 20 44.625 -13.172 18.008 1.00 53.25 C ATOM 224 O CYS A 20 43.800 -12.258 18.003 1.00 10.43 O ATOM 225 CB CYS A 20 45.890 -13.761 15.931 1.00 14.13 C ATOM 226 SG CYS A 20 46.514 -15.120 14.915 1.00 51.54 S ATOM 0 H CYS A 20 42.966 -13.283 16.076 1.00 64.52 H new ATOM 0 HA CYS A 20 44.892 -15.147 17.235 1.00 54.02 H new ATOM 0 HB2 CYS A 20 45.577 -12.947 15.277 1.00 14.13 H new ATOM 0 HB3 CYS A 20 46.704 -13.379 16.548 1.00 14.13 H new ATOM 0 HG CYS A 20 45.598 -16.036 14.805 1.00 51.54 H new ATOM 232 N LYS A 21 45.473 -13.374 19.010 1.00 64.34 N ATOM 233 CA LYS A 21 45.486 -12.515 20.187 1.00 23.05 C ATOM 234 C LYS A 21 46.802 -12.652 20.947 1.00 62.05 C ATOM 235 O LYS A 21 47.237 -13.760 21.258 1.00 75.43 O ATOM 236 CB LYS A 21 44.315 -12.861 21.110 1.00 70.24 C ATOM 237 CG LYS A 21 44.188 -14.347 21.400 1.00 1.42 C ATOM 238 CD LYS A 21 43.110 -14.622 22.435 1.00 24.23 C ATOM 239 CE LYS A 21 42.804 -16.108 22.539 1.00 62.41 C ATOM 240 NZ LYS A 21 43.442 -16.724 23.736 1.00 53.03 N ATOM 0 H LYS A 21 46.161 -14.126 19.030 1.00 64.34 H new ATOM 0 HA LYS A 21 45.385 -11.483 19.852 1.00 23.05 H new ATOM 0 HB2 LYS A 21 44.434 -12.324 22.051 1.00 70.24 H new ATOM 0 HB3 LYS A 21 43.389 -12.507 20.657 1.00 70.24 H new ATOM 0 HG2 LYS A 21 43.954 -14.880 20.479 1.00 1.42 H new ATOM 0 HG3 LYS A 21 45.143 -14.732 21.757 1.00 1.42 H new ATOM 0 HD2 LYS A 21 43.432 -14.247 23.406 1.00 24.23 H new ATOM 0 HD3 LYS A 21 42.202 -14.080 22.169 1.00 24.23 H new ATOM 0 HE2 LYS A 21 41.725 -16.254 22.587 1.00 62.41 H new ATOM 0 HE3 LYS A 21 43.154 -16.615 21.640 1.00 62.41 H new ATOM 0 HZ1 LYS A 21 43.209 -17.737 23.771 1.00 53.03 H new ATOM 0 HZ2 LYS A 21 44.474 -16.607 23.678 1.00 53.03 H new ATOM 0 HZ3 LYS A 21 43.089 -16.258 24.596 1.00 53.03 H new ATOM 254 N GLU A 22 47.431 -11.518 21.242 1.00 34.42 N ATOM 255 CA GLU A 22 48.697 -11.514 21.966 1.00 54.24 C ATOM 256 C GLU A 22 49.161 -10.086 22.241 1.00 34.42 C ATOM 257 O GLU A 22 48.420 -9.129 22.021 1.00 35.11 O ATOM 258 CB GLU A 22 49.767 -12.265 21.171 1.00 74.05 C ATOM 259 CG GLU A 22 50.560 -13.257 22.004 1.00 4.43 C ATOM 260 CD GLU A 22 51.608 -13.995 21.193 1.00 54.50 C ATOM 261 OE1 GLU A 22 51.420 -14.129 19.966 1.00 72.05 O ATOM 262 OE2 GLU A 22 52.614 -14.437 21.785 1.00 71.54 O ATOM 0 H GLU A 22 47.085 -10.592 20.991 1.00 34.42 H new ATOM 0 HA GLU A 22 48.543 -12.018 22.920 1.00 54.24 H new ATOM 0 HB2 GLU A 22 49.290 -12.795 20.347 1.00 74.05 H new ATOM 0 HB3 GLU A 22 50.454 -11.543 20.730 1.00 74.05 H new ATOM 0 HG2 GLU A 22 51.046 -12.729 22.825 1.00 4.43 H new ATOM 0 HG3 GLU A 22 49.876 -13.979 22.450 1.00 4.43 H new ATOM 269 N GLU A 23 50.392 -9.953 22.725 1.00 71.54 N ATOM 270 CA GLU A 23 50.954 -8.643 23.032 1.00 70.54 C ATOM 271 C GLU A 23 50.145 -7.946 24.121 1.00 32.03 C ATOM 272 O GLU A 23 49.083 -8.423 24.525 1.00 44.13 O ATOM 273 CB GLU A 23 50.993 -7.773 21.774 1.00 72.12 C ATOM 274 CG GLU A 23 52.400 -7.457 21.295 1.00 31.33 C ATOM 275 CD GLU A 23 52.518 -6.063 20.711 1.00 4.15 C ATOM 276 OE1 GLU A 23 52.220 -5.894 19.511 1.00 62.43 O ATOM 277 OE2 GLU A 23 52.910 -5.140 21.456 1.00 15.24 O ATOM 0 H GLU A 23 51.019 -10.736 22.913 1.00 71.54 H new ATOM 0 HA GLU A 23 51.971 -8.788 23.396 1.00 70.54 H new ATOM 0 HB2 GLU A 23 50.452 -8.280 20.975 1.00 72.12 H new ATOM 0 HB3 GLU A 23 50.467 -6.839 21.972 1.00 72.12 H new ATOM 0 HG2 GLU A 23 53.095 -7.558 22.129 1.00 31.33 H new ATOM 0 HG3 GLU A 23 52.697 -8.188 20.543 1.00 31.33 H new ATOM 284 N THR A 24 50.654 -6.813 24.595 1.00 61.00 N ATOM 285 CA THR A 24 49.981 -6.050 25.639 1.00 63.13 C ATOM 286 C THR A 24 49.498 -4.704 25.111 1.00 4.10 C ATOM 287 O THR A 24 50.257 -3.964 24.485 1.00 13.34 O ATOM 288 CB THR A 24 50.907 -5.813 26.847 1.00 42.03 C ATOM 289 OG1 THR A 24 52.152 -5.258 26.408 1.00 24.32 O ATOM 290 CG2 THR A 24 51.161 -7.112 27.597 1.00 11.31 C ATOM 0 H THR A 24 51.531 -6.403 24.272 1.00 61.00 H new ATOM 0 HA THR A 24 49.123 -6.641 25.959 1.00 63.13 H new ATOM 0 HB THR A 24 50.415 -5.113 27.522 1.00 42.03 H new ATOM 0 HG1 THR A 24 51.987 -4.610 25.691 1.00 24.32 H new ATOM 0 HG21 THR A 24 51.817 -6.920 28.446 1.00 11.31 H new ATOM 0 HG22 THR A 24 50.214 -7.517 27.955 1.00 11.31 H new ATOM 0 HG23 THR A 24 51.634 -7.832 26.929 1.00 11.31 H new ATOM 298 N ALA A 25 48.232 -4.393 25.368 1.00 3.52 N ATOM 299 CA ALA A 25 47.649 -3.134 24.921 1.00 3.42 C ATOM 300 C ALA A 25 46.486 -2.719 25.816 1.00 70.03 C ATOM 301 O ALA A 25 45.621 -3.533 26.144 1.00 42.50 O ATOM 302 CB ALA A 25 47.191 -3.248 23.475 1.00 73.40 C ATOM 0 H ALA A 25 47.590 -4.996 25.883 1.00 3.52 H new ATOM 0 HA ALA A 25 48.417 -2.363 24.987 1.00 3.42 H new ATOM 0 HB1 ALA A 25 46.758 -2.300 23.155 1.00 73.40 H new ATOM 0 HB2 ALA A 25 48.044 -3.490 22.841 1.00 73.40 H new ATOM 0 HB3 ALA A 25 46.442 -4.036 23.391 1.00 73.40 H new ATOM 308 N LEU A 26 46.471 -1.450 26.208 1.00 55.11 N ATOM 309 CA LEU A 26 45.413 -0.927 27.066 1.00 71.11 C ATOM 310 C LEU A 26 44.987 0.467 26.617 1.00 74.12 C ATOM 311 O LEU A 26 45.761 1.420 26.696 1.00 3.35 O ATOM 312 CB LEU A 26 45.883 -0.885 28.521 1.00 45.12 C ATOM 313 CG LEU A 26 46.818 -2.014 28.957 1.00 35.21 C ATOM 314 CD1 LEU A 26 48.271 -1.589 28.818 1.00 11.42 C ATOM 315 CD2 LEU A 26 46.517 -2.432 30.389 1.00 13.12 C ATOM 0 H LEU A 26 47.179 -0.764 25.946 1.00 55.11 H new ATOM 0 HA LEU A 26 44.553 -1.593 26.987 1.00 71.11 H new ATOM 0 HB2 LEU A 26 46.389 0.065 28.691 1.00 45.12 H new ATOM 0 HB3 LEU A 26 45.005 -0.898 29.166 1.00 45.12 H new ATOM 0 HG LEU A 26 46.649 -2.871 28.306 1.00 35.21 H new ATOM 0 HD11 LEU A 26 48.921 -2.406 29.133 1.00 11.42 H new ATOM 0 HD12 LEU A 26 48.479 -1.340 27.777 1.00 11.42 H new ATOM 0 HD13 LEU A 26 48.456 -0.716 29.444 1.00 11.42 H new ATOM 0 HD21 LEU A 26 47.192 -3.236 30.683 1.00 13.12 H new ATOM 0 HD22 LEU A 26 46.657 -1.580 31.054 1.00 13.12 H new ATOM 0 HD23 LEU A 26 45.486 -2.780 30.457 1.00 13.12 H new ATOM 327 N VAL A 27 43.748 0.579 26.146 1.00 24.43 N ATOM 328 CA VAL A 27 43.217 1.857 25.688 1.00 62.44 C ATOM 329 C VAL A 27 41.725 1.968 25.980 1.00 41.32 C ATOM 330 O VAL A 27 40.989 0.987 25.885 1.00 14.01 O ATOM 331 CB VAL A 27 43.449 2.051 24.177 1.00 5.55 C ATOM 332 CG1 VAL A 27 44.884 1.707 23.809 1.00 64.21 C ATOM 333 CG2 VAL A 27 42.468 1.211 23.375 1.00 14.11 C ATOM 0 H VAL A 27 43.094 -0.200 26.072 1.00 24.43 H new ATOM 0 HA VAL A 27 43.750 2.636 26.233 1.00 62.44 H new ATOM 0 HB VAL A 27 43.278 3.099 23.932 1.00 5.55 H new ATOM 0 HG11 VAL A 27 45.029 1.850 22.738 1.00 64.21 H new ATOM 0 HG12 VAL A 27 45.566 2.357 24.358 1.00 64.21 H new ATOM 0 HG13 VAL A 27 45.087 0.668 24.067 1.00 64.21 H new ATOM 0 HG21 VAL A 27 42.647 1.361 22.310 1.00 14.11 H new ATOM 0 HG22 VAL A 27 42.604 0.158 23.621 1.00 14.11 H new ATOM 0 HG23 VAL A 27 41.449 1.511 23.618 1.00 14.11 H new ATOM 343 N ALA A 28 41.286 3.171 26.335 1.00 52.21 N ATOM 344 CA ALA A 28 39.881 3.412 26.639 1.00 53.34 C ATOM 345 C ALA A 28 39.167 4.058 25.456 1.00 15.42 C ATOM 346 O ALA A 28 39.709 4.949 24.802 1.00 54.12 O ATOM 347 CB ALA A 28 39.751 4.286 27.878 1.00 72.14 C ATOM 0 H ALA A 28 41.883 3.994 26.419 1.00 52.21 H new ATOM 0 HA ALA A 28 39.407 2.450 26.835 1.00 53.34 H new ATOM 0 HB1 ALA A 28 38.696 4.458 28.093 1.00 72.14 H new ATOM 0 HB2 ALA A 28 40.218 3.786 28.727 1.00 72.14 H new ATOM 0 HB3 ALA A 28 40.246 5.241 27.703 1.00 72.14 H new ATOM 353 N VAL A 29 37.947 3.603 25.187 1.00 51.41 N ATOM 354 CA VAL A 29 37.158 4.138 24.083 1.00 21.51 C ATOM 355 C VAL A 29 35.846 4.731 24.582 1.00 34.04 C ATOM 356 O VAL A 29 35.243 4.226 25.530 1.00 61.43 O ATOM 357 CB VAL A 29 36.852 3.051 23.035 1.00 51.31 C ATOM 358 CG1 VAL A 29 36.160 3.658 21.824 1.00 60.23 C ATOM 359 CG2 VAL A 29 38.128 2.332 22.626 1.00 61.25 C ATOM 0 H VAL A 29 37.484 2.866 25.718 1.00 51.41 H new ATOM 0 HA VAL A 29 37.754 4.923 23.618 1.00 21.51 H new ATOM 0 HB VAL A 29 36.177 2.320 23.480 1.00 51.31 H new ATOM 0 HG11 VAL A 29 35.951 2.876 21.094 1.00 60.23 H new ATOM 0 HG12 VAL A 29 35.224 4.123 22.135 1.00 60.23 H new ATOM 0 HG13 VAL A 29 36.808 4.411 21.374 1.00 60.23 H new ATOM 0 HG21 VAL A 29 37.893 1.568 21.885 1.00 61.25 H new ATOM 0 HG22 VAL A 29 38.829 3.049 22.198 1.00 61.25 H new ATOM 0 HG23 VAL A 29 38.578 1.863 23.501 1.00 61.25 H new ATOM 369 N LYS A 30 35.406 5.807 23.938 1.00 4.04 N ATOM 370 CA LYS A 30 34.164 6.470 24.315 1.00 54.34 C ATOM 371 C LYS A 30 33.284 6.712 23.092 1.00 61.31 C ATOM 372 O LYS A 30 33.628 7.504 22.214 1.00 35.23 O ATOM 373 CB LYS A 30 34.462 7.799 25.012 1.00 14.41 C ATOM 374 CG LYS A 30 33.218 8.611 25.332 1.00 20.30 C ATOM 375 CD LYS A 30 33.502 9.678 26.376 1.00 53.14 C ATOM 376 CE LYS A 30 33.959 10.979 25.733 1.00 75.43 C ATOM 377 NZ LYS A 30 34.640 11.871 26.710 1.00 4.24 N ATOM 0 H LYS A 30 35.892 6.238 23.152 1.00 4.04 H new ATOM 0 HA LYS A 30 33.628 5.818 25.004 1.00 54.34 H new ATOM 0 HB2 LYS A 30 35.004 7.601 25.937 1.00 14.41 H new ATOM 0 HB3 LYS A 30 35.120 8.393 24.378 1.00 14.41 H new ATOM 0 HG2 LYS A 30 32.845 9.081 24.422 1.00 20.30 H new ATOM 0 HG3 LYS A 30 32.432 7.947 25.693 1.00 20.30 H new ATOM 0 HD2 LYS A 30 32.604 9.859 26.967 1.00 53.14 H new ATOM 0 HD3 LYS A 30 34.269 9.321 27.063 1.00 53.14 H new ATOM 0 HE2 LYS A 30 34.637 10.758 24.909 1.00 75.43 H new ATOM 0 HE3 LYS A 30 33.099 11.496 25.308 1.00 75.43 H new ATOM 0 HZ1 LYS A 30 34.936 12.746 26.233 1.00 4.24 H new ATOM 0 HZ2 LYS A 30 33.985 12.103 27.484 1.00 4.24 H new ATOM 0 HZ3 LYS A 30 35.476 11.388 27.097 1.00 4.24 H new ATOM 391 N VAL A 31 32.147 6.025 23.041 1.00 21.24 N ATOM 392 CA VAL A 31 31.217 6.167 21.928 1.00 60.24 C ATOM 393 C VAL A 31 30.109 7.160 22.260 1.00 62.01 C ATOM 394 O VAL A 31 29.385 6.993 23.241 1.00 13.12 O ATOM 395 CB VAL A 31 30.583 4.815 21.550 1.00 61.21 C ATOM 396 CG1 VAL A 31 29.911 4.184 22.760 1.00 73.35 C ATOM 397 CG2 VAL A 31 29.591 4.992 20.410 1.00 23.21 C ATOM 0 H VAL A 31 31.848 5.364 23.758 1.00 21.24 H new ATOM 0 HA VAL A 31 31.793 6.540 21.081 1.00 60.24 H new ATOM 0 HB VAL A 31 31.373 4.144 21.212 1.00 61.21 H new ATOM 0 HG11 VAL A 31 29.469 3.230 22.474 1.00 73.35 H new ATOM 0 HG12 VAL A 31 30.651 4.021 23.543 1.00 73.35 H new ATOM 0 HG13 VAL A 31 29.131 4.849 23.131 1.00 73.35 H new ATOM 0 HG21 VAL A 31 29.153 4.027 20.156 1.00 23.21 H new ATOM 0 HG22 VAL A 31 28.803 5.679 20.717 1.00 23.21 H new ATOM 0 HG23 VAL A 31 30.106 5.397 19.539 1.00 23.21 H new ATOM 407 N VAL A 32 29.982 8.195 21.435 1.00 24.31 N ATOM 408 CA VAL A 32 28.961 9.215 21.640 1.00 4.10 C ATOM 409 C VAL A 32 27.972 9.243 20.481 1.00 74.32 C ATOM 410 O VAL A 32 28.274 8.780 19.382 1.00 63.01 O ATOM 411 CB VAL A 32 29.589 10.613 21.798 1.00 34.15 C ATOM 412 CG1 VAL A 32 30.228 10.759 23.171 1.00 71.01 C ATOM 413 CG2 VAL A 32 30.607 10.867 20.697 1.00 13.52 C ATOM 0 H VAL A 32 30.574 8.349 20.619 1.00 24.31 H new ATOM 0 HA VAL A 32 28.433 8.955 22.558 1.00 4.10 H new ATOM 0 HB VAL A 32 28.799 11.359 21.710 1.00 34.15 H new ATOM 0 HG11 VAL A 32 30.666 11.753 23.264 1.00 71.01 H new ATOM 0 HG12 VAL A 32 29.469 10.623 23.942 1.00 71.01 H new ATOM 0 HG13 VAL A 32 31.007 10.006 23.292 1.00 71.01 H new ATOM 0 HG21 VAL A 32 31.041 11.859 20.824 1.00 13.52 H new ATOM 0 HG22 VAL A 32 31.396 10.117 20.751 1.00 13.52 H new ATOM 0 HG23 VAL A 32 30.115 10.808 19.726 1.00 13.52 H new ATOM 423 N ASN A 33 26.787 9.789 20.734 1.00 11.23 N ATOM 424 CA ASN A 33 25.751 9.877 19.711 1.00 2.43 C ATOM 425 C ASN A 33 25.134 11.272 19.681 1.00 41.42 C ATOM 426 O ASN A 33 25.117 11.977 20.690 1.00 63.23 O ATOM 427 CB ASN A 33 24.664 8.832 19.966 1.00 75.24 C ATOM 428 CG ASN A 33 25.167 7.415 19.771 1.00 60.33 C ATOM 429 OD1 ASN A 33 24.742 6.714 18.852 1.00 35.34 O ATOM 430 ND2 ASN A 33 26.078 6.986 20.637 1.00 50.32 N ATOM 0 H ASN A 33 26.520 10.177 21.639 1.00 11.23 H new ATOM 0 HA ASN A 33 26.213 9.682 18.743 1.00 2.43 H new ATOM 0 HB2 ASN A 33 24.287 8.944 20.983 1.00 75.24 H new ATOM 0 HB3 ASN A 33 23.825 9.013 19.294 1.00 75.24 H new ATOM 0 HD21 ASN A 33 26.454 6.041 20.556 1.00 50.32 H new ATOM 0 HD22 ASN A 33 26.402 7.601 21.383 1.00 50.32 H new ATOM 437 N ALA A 34 24.628 11.664 18.516 1.00 15.02 N ATOM 438 CA ALA A 34 24.007 12.973 18.355 1.00 40.04 C ATOM 439 C ALA A 34 22.786 13.117 19.256 1.00 34.42 C ATOM 440 O ALA A 34 22.386 14.228 19.603 1.00 12.14 O ATOM 441 CB ALA A 34 23.621 13.198 16.900 1.00 3.32 C ATOM 0 H ALA A 34 24.636 11.094 17.670 1.00 15.02 H new ATOM 0 HA ALA A 34 24.733 13.731 18.649 1.00 40.04 H new ATOM 0 HB1 ALA A 34 23.158 14.179 16.794 1.00 3.32 H new ATOM 0 HB2 ALA A 34 24.513 13.148 16.275 1.00 3.32 H new ATOM 0 HB3 ALA A 34 22.915 12.428 16.588 1.00 3.32 H new ATOM 447 N ASP A 35 22.197 11.986 19.631 1.00 12.41 N ATOM 448 CA ASP A 35 21.020 11.986 20.493 1.00 4.50 C ATOM 449 C ASP A 35 21.411 12.242 21.945 1.00 11.14 C ATOM 450 O ASP A 35 20.605 12.725 22.740 1.00 70.32 O ATOM 451 CB ASP A 35 20.278 10.654 20.378 1.00 12.34 C ATOM 452 CG ASP A 35 18.926 10.801 19.707 1.00 23.35 C ATOM 453 OD1 ASP A 35 18.782 11.702 18.855 1.00 61.51 O ATOM 454 OD2 ASP A 35 18.012 10.015 20.036 1.00 43.15 O ATOM 0 H ASP A 35 22.515 11.058 19.352 1.00 12.41 H new ATOM 0 HA ASP A 35 20.360 12.790 20.166 1.00 4.50 H new ATOM 0 HB2 ASP A 35 20.887 9.950 19.811 1.00 12.34 H new ATOM 0 HB3 ASP A 35 20.143 10.230 21.373 1.00 12.34 H new ATOM 459 N GLY A 36 22.654 11.914 22.286 1.00 73.34 N ATOM 460 CA GLY A 36 23.129 12.114 23.642 1.00 31.21 C ATOM 461 C GLY A 36 23.683 10.843 24.256 1.00 53.23 C ATOM 462 O GLY A 36 24.674 10.879 24.985 1.00 74.35 O ATOM 0 H GLY A 36 23.340 11.513 21.647 1.00 73.34 H new ATOM 0 HA2 GLY A 36 23.903 12.882 23.643 1.00 31.21 H new ATOM 0 HA3 GLY A 36 22.311 12.485 24.259 1.00 31.21 H new ATOM 466 N ALA A 37 23.040 9.717 23.962 1.00 45.41 N ATOM 467 CA ALA A 37 23.475 8.430 24.490 1.00 40.03 C ATOM 468 C ALA A 37 24.959 8.199 24.222 1.00 15.52 C ATOM 469 O ALA A 37 25.399 8.207 23.073 1.00 22.24 O ATOM 470 CB ALA A 37 22.647 7.305 23.886 1.00 11.40 C ATOM 0 H ALA A 37 22.217 9.671 23.362 1.00 45.41 H new ATOM 0 HA ALA A 37 23.325 8.439 25.570 1.00 40.03 H new ATOM 0 HB1 ALA A 37 22.983 6.349 24.289 1.00 11.40 H new ATOM 0 HB2 ALA A 37 21.596 7.454 24.133 1.00 11.40 H new ATOM 0 HB3 ALA A 37 22.769 7.305 22.803 1.00 11.40 H new ATOM 476 N GLU A 38 25.723 7.996 25.290 1.00 22.04 N ATOM 477 CA GLU A 38 27.158 7.765 25.169 1.00 11.02 C ATOM 478 C GLU A 38 27.660 6.861 26.291 1.00 21.40 C ATOM 479 O GLU A 38 27.047 6.775 27.354 1.00 32.55 O ATOM 480 CB GLU A 38 27.915 9.095 25.194 1.00 72.44 C ATOM 481 CG GLU A 38 27.950 9.750 26.564 1.00 53.10 C ATOM 482 CD GLU A 38 28.387 11.201 26.506 1.00 74.13 C ATOM 483 OE1 GLU A 38 27.702 12.001 25.834 1.00 64.31 O ATOM 484 OE2 GLU A 38 29.413 11.536 27.133 1.00 43.31 O ATOM 0 H GLU A 38 25.373 7.987 26.248 1.00 22.04 H new ATOM 0 HA GLU A 38 27.341 7.268 24.216 1.00 11.02 H new ATOM 0 HB2 GLU A 38 28.937 8.928 24.854 1.00 72.44 H new ATOM 0 HB3 GLU A 38 27.451 9.781 24.485 1.00 72.44 H new ATOM 0 HG2 GLU A 38 26.960 9.690 27.016 1.00 53.10 H new ATOM 0 HG3 GLU A 38 28.630 9.195 27.211 1.00 53.10 H new ATOM 491 N MET A 39 28.779 6.188 26.044 1.00 24.15 N ATOM 492 CA MET A 39 29.365 5.290 27.034 1.00 53.33 C ATOM 493 C MET A 39 30.841 5.044 26.738 1.00 12.13 C ATOM 494 O MET A 39 31.228 4.837 25.588 1.00 53.31 O ATOM 495 CB MET A 39 28.609 3.961 27.058 1.00 74.43 C ATOM 496 CG MET A 39 28.831 3.112 25.816 1.00 41.51 C ATOM 497 SD MET A 39 27.887 1.576 25.846 1.00 43.43 S ATOM 498 CE MET A 39 29.177 0.380 25.507 1.00 53.21 C ATOM 0 H MET A 39 29.298 6.247 25.168 1.00 24.15 H new ATOM 0 HA MET A 39 29.283 5.764 28.012 1.00 53.33 H new ATOM 0 HB2 MET A 39 28.917 3.393 27.936 1.00 74.43 H new ATOM 0 HB3 MET A 39 27.543 4.161 27.166 1.00 74.43 H new ATOM 0 HG2 MET A 39 28.553 3.687 24.933 1.00 41.51 H new ATOM 0 HG3 MET A 39 29.892 2.880 25.724 1.00 41.51 H new ATOM 0 HE1 MET A 39 28.749 -0.622 25.493 1.00 53.21 H new ATOM 0 HE2 MET A 39 29.628 0.596 24.538 1.00 53.21 H new ATOM 0 HE3 MET A 39 29.940 0.438 26.283 1.00 53.21 H new ATOM 508 N PHE A 40 31.661 5.068 27.784 1.00 71.13 N ATOM 509 CA PHE A 40 33.095 4.848 27.636 1.00 51.54 C ATOM 510 C PHE A 40 33.581 3.763 28.592 1.00 13.30 C ATOM 511 O PHE A 40 33.056 3.613 29.696 1.00 62.54 O ATOM 512 CB PHE A 40 33.860 6.149 27.890 1.00 23.34 C ATOM 513 CG PHE A 40 33.900 6.547 29.338 1.00 54.31 C ATOM 514 CD1 PHE A 40 32.812 7.171 29.928 1.00 30.42 C ATOM 515 CD2 PHE A 40 35.024 6.298 30.109 1.00 52.25 C ATOM 516 CE1 PHE A 40 32.846 7.539 31.260 1.00 50.12 C ATOM 517 CE2 PHE A 40 35.063 6.664 31.441 1.00 44.11 C ATOM 518 CZ PHE A 40 33.972 7.284 32.017 1.00 5.54 C ATOM 0 H PHE A 40 31.357 5.238 28.743 1.00 71.13 H new ATOM 0 HA PHE A 40 33.283 4.517 26.615 1.00 51.54 H new ATOM 0 HB2 PHE A 40 34.881 6.039 27.523 1.00 23.34 H new ATOM 0 HB3 PHE A 40 33.399 6.951 27.313 1.00 23.34 H new ATOM 0 HD1 PHE A 40 31.928 7.372 29.341 1.00 30.42 H new ATOM 0 HD2 PHE A 40 35.880 5.812 29.664 1.00 52.25 H new ATOM 0 HE1 PHE A 40 31.992 8.026 31.708 1.00 50.12 H new ATOM 0 HE2 PHE A 40 35.946 6.465 32.031 1.00 44.11 H new ATOM 0 HZ PHE A 40 33.999 7.569 33.058 1.00 5.54 H new ATOM 528 N PHE A 41 34.586 3.009 28.160 1.00 1.32 N ATOM 529 CA PHE A 41 35.143 1.937 28.976 1.00 34.54 C ATOM 530 C PHE A 41 36.551 1.576 28.514 1.00 62.13 C ATOM 531 O PHE A 41 36.951 1.902 27.396 1.00 63.31 O ATOM 532 CB PHE A 41 34.242 0.701 28.916 1.00 52.21 C ATOM 533 CG PHE A 41 34.124 -0.020 30.228 1.00 3.13 C ATOM 534 CD1 PHE A 41 33.292 0.461 31.226 1.00 1.41 C ATOM 535 CD2 PHE A 41 34.846 -1.179 30.464 1.00 74.11 C ATOM 536 CE1 PHE A 41 33.183 -0.200 32.435 1.00 51.22 C ATOM 537 CE2 PHE A 41 34.740 -1.845 31.671 1.00 42.14 C ATOM 538 CZ PHE A 41 33.907 -1.355 32.657 1.00 72.01 C ATOM 0 H PHE A 41 35.031 3.121 27.249 1.00 1.32 H new ATOM 0 HA PHE A 41 35.197 2.290 30.006 1.00 34.54 H new ATOM 0 HB2 PHE A 41 33.248 1.002 28.585 1.00 52.21 H new ATOM 0 HB3 PHE A 41 34.633 0.013 28.166 1.00 52.21 H new ATOM 0 HD1 PHE A 41 32.722 1.363 31.057 1.00 1.41 H new ATOM 0 HD2 PHE A 41 35.499 -1.567 29.696 1.00 74.11 H new ATOM 0 HE1 PHE A 41 32.532 0.186 33.205 1.00 51.22 H new ATOM 0 HE2 PHE A 41 35.308 -2.747 31.842 1.00 42.14 H new ATOM 0 HZ PHE A 41 33.822 -1.874 33.600 1.00 72.01 H new ATOM 548 N ARG A 42 37.298 0.902 29.382 1.00 63.21 N ATOM 549 CA ARG A 42 38.663 0.498 29.064 1.00 53.21 C ATOM 550 C ARG A 42 38.689 -0.905 28.464 1.00 12.34 C ATOM 551 O ARG A 42 37.967 -1.796 28.913 1.00 12.42 O ATOM 552 CB ARG A 42 39.536 0.545 30.319 1.00 64.52 C ATOM 553 CG ARG A 42 39.511 1.888 31.030 1.00 73.24 C ATOM 554 CD ARG A 42 40.810 2.651 30.826 1.00 25.42 C ATOM 555 NE ARG A 42 40.623 4.094 30.948 1.00 20.24 N ATOM 556 CZ ARG A 42 41.615 4.947 31.175 1.00 45.22 C ATOM 557 NH1 ARG A 42 42.859 4.505 31.302 1.00 33.54 N ATOM 558 NH2 ARG A 42 41.365 6.247 31.273 1.00 23.43 N ATOM 0 H ARG A 42 36.981 0.624 30.311 1.00 63.21 H new ATOM 0 HA ARG A 42 39.060 1.196 28.327 1.00 53.21 H new ATOM 0 HB2 ARG A 42 39.204 -0.229 31.011 1.00 64.52 H new ATOM 0 HB3 ARG A 42 40.564 0.308 30.045 1.00 64.52 H new ATOM 0 HG2 ARG A 42 38.677 2.482 30.658 1.00 73.24 H new ATOM 0 HG3 ARG A 42 39.342 1.734 32.096 1.00 73.24 H new ATOM 0 HD2 ARG A 42 41.545 2.318 31.559 1.00 25.42 H new ATOM 0 HD3 ARG A 42 41.215 2.420 29.841 1.00 25.42 H new ATOM 0 HE ARG A 42 39.678 4.467 30.854 1.00 20.24 H new ATOM 0 HH11 ARG A 42 43.056 3.507 31.225 1.00 33.54 H new ATOM 0 HH12 ARG A 42 43.619 5.163 31.476 1.00 33.54 H new ATOM 0 HH21 ARG A 42 40.410 6.592 31.174 1.00 23.43 H new ATOM 0 HH22 ARG A 42 42.128 6.901 31.447 1.00 23.43 H new ATOM 572 N ILE A 43 39.525 -1.093 27.449 1.00 54.13 N ATOM 573 CA ILE A 43 39.645 -2.387 26.789 1.00 53.03 C ATOM 574 C ILE A 43 40.957 -2.492 26.019 1.00 52.43 C ATOM 575 O ILE A 43 41.580 -1.481 25.691 1.00 30.44 O ATOM 576 CB ILE A 43 38.473 -2.636 25.821 1.00 61.23 C ATOM 577 CG1 ILE A 43 38.397 -4.118 25.448 1.00 21.33 C ATOM 578 CG2 ILE A 43 38.625 -1.778 24.574 1.00 73.24 C ATOM 579 CD1 ILE A 43 37.045 -4.539 24.918 1.00 74.44 C ATOM 0 H ILE A 43 40.129 -0.366 27.066 1.00 54.13 H new ATOM 0 HA ILE A 43 39.625 -3.144 27.573 1.00 53.03 H new ATOM 0 HB ILE A 43 37.544 -2.358 26.319 1.00 61.23 H new ATOM 0 HG12 ILE A 43 39.156 -4.335 24.697 1.00 21.33 H new ATOM 0 HG13 ILE A 43 38.637 -4.718 26.326 1.00 21.33 H new ATOM 0 HG21 ILE A 43 37.789 -1.965 23.900 1.00 73.24 H new ATOM 0 HG22 ILE A 43 38.635 -0.725 24.856 1.00 73.24 H new ATOM 0 HG23 ILE A 43 39.560 -2.028 24.072 1.00 73.24 H new ATOM 0 HD11 ILE A 43 37.064 -5.601 24.674 1.00 74.44 H new ATOM 0 HD12 ILE A 43 36.284 -4.355 25.676 1.00 74.44 H new ATOM 0 HD13 ILE A 43 36.811 -3.965 24.021 1.00 74.44 H new ATOM 591 N LYS A 44 41.371 -3.721 25.730 1.00 13.22 N ATOM 592 CA LYS A 44 42.607 -3.960 24.995 1.00 2.53 C ATOM 593 C LYS A 44 42.591 -3.235 23.653 1.00 72.41 C ATOM 594 O LYS A 44 41.615 -3.313 22.907 1.00 14.11 O ATOM 595 CB LYS A 44 42.812 -5.460 24.775 1.00 41.00 C ATOM 596 CG LYS A 44 43.738 -6.103 25.793 1.00 62.35 C ATOM 597 CD LYS A 44 44.922 -6.779 25.121 1.00 51.24 C ATOM 598 CE LYS A 44 44.482 -7.968 24.280 1.00 53.51 C ATOM 599 NZ LYS A 44 45.624 -8.861 23.941 1.00 1.40 N ATOM 0 H LYS A 44 40.868 -4.568 25.994 1.00 13.22 H new ATOM 0 HA LYS A 44 43.434 -3.570 25.588 1.00 2.53 H new ATOM 0 HB2 LYS A 44 41.844 -5.960 24.810 1.00 41.00 H new ATOM 0 HB3 LYS A 44 43.217 -5.620 23.776 1.00 41.00 H new ATOM 0 HG2 LYS A 44 44.097 -5.345 26.489 1.00 62.35 H new ATOM 0 HG3 LYS A 44 43.183 -6.836 26.379 1.00 62.35 H new ATOM 0 HD2 LYS A 44 45.443 -6.059 24.490 1.00 51.24 H new ATOM 0 HD3 LYS A 44 45.631 -7.111 25.879 1.00 51.24 H new ATOM 0 HE2 LYS A 44 43.726 -8.536 24.822 1.00 53.51 H new ATOM 0 HE3 LYS A 44 44.016 -7.611 23.362 1.00 53.51 H new ATOM 0 HZ1 LYS A 44 45.283 -9.659 23.368 1.00 1.40 H new ATOM 0 HZ2 LYS A 44 46.335 -8.326 23.402 1.00 1.40 H new ATOM 0 HZ3 LYS A 44 46.054 -9.223 24.816 1.00 1.40 H new ATOM 613 N SER A 45 43.678 -2.533 23.351 1.00 22.11 N ATOM 614 CA SER A 45 43.787 -1.793 22.099 1.00 24.42 C ATOM 615 C SER A 45 43.485 -2.696 20.907 1.00 52.22 C ATOM 616 O SER A 45 42.786 -2.298 19.975 1.00 42.34 O ATOM 617 CB SER A 45 45.188 -1.194 21.957 1.00 13.20 C ATOM 618 OG SER A 45 46.010 -2.007 21.137 1.00 13.54 O ATOM 0 H SER A 45 44.496 -2.461 23.956 1.00 22.11 H new ATOM 0 HA SER A 45 43.054 -0.986 22.117 1.00 24.42 H new ATOM 0 HB2 SER A 45 45.118 -0.194 21.529 1.00 13.20 H new ATOM 0 HB3 SER A 45 45.643 -1.088 22.942 1.00 13.20 H new ATOM 0 HG SER A 45 45.907 -1.737 20.201 1.00 13.54 H new ATOM 624 N ARG A 46 44.016 -3.913 20.945 1.00 61.55 N ATOM 625 CA ARG A 46 43.805 -4.873 19.867 1.00 13.14 C ATOM 626 C ARG A 46 42.320 -5.003 19.538 1.00 4.43 C ATOM 627 O ARG A 46 41.947 -5.265 18.394 1.00 11.44 O ATOM 628 CB ARG A 46 44.374 -6.239 20.254 1.00 74.41 C ATOM 629 CG ARG A 46 45.486 -6.718 19.335 1.00 32.12 C ATOM 630 CD ARG A 46 45.034 -6.750 17.884 1.00 61.34 C ATOM 631 NE ARG A 46 45.859 -7.642 17.073 1.00 21.43 N ATOM 632 CZ ARG A 46 45.728 -8.964 17.071 1.00 63.31 C ATOM 633 NH1 ARG A 46 44.810 -9.544 17.831 1.00 22.34 N ATOM 634 NH2 ARG A 46 46.517 -9.709 16.306 1.00 13.21 N ATOM 0 H ARG A 46 44.595 -4.258 21.710 1.00 61.55 H new ATOM 0 HA ARG A 46 44.325 -4.508 18.981 1.00 13.14 H new ATOM 0 HB2 ARG A 46 44.754 -6.189 21.274 1.00 74.41 H new ATOM 0 HB3 ARG A 46 43.568 -6.973 20.249 1.00 74.41 H new ATOM 0 HG2 ARG A 46 46.350 -6.060 19.434 1.00 32.12 H new ATOM 0 HG3 ARG A 46 45.807 -7.714 19.639 1.00 32.12 H new ATOM 0 HD2 ARG A 46 43.994 -7.074 17.835 1.00 61.34 H new ATOM 0 HD3 ARG A 46 45.074 -5.743 17.470 1.00 61.34 H new ATOM 0 HE ARG A 46 46.574 -7.227 16.476 1.00 21.43 H new ATOM 0 HH11 ARG A 46 44.202 -8.975 18.420 1.00 22.34 H new ATOM 0 HH12 ARG A 46 44.712 -10.559 17.827 1.00 22.34 H new ATOM 0 HH21 ARG A 46 47.224 -9.266 15.719 1.00 13.21 H new ATOM 0 HH22 ARG A 46 46.416 -10.724 16.305 1.00 13.21 H new ATOM 648 N THR A 47 41.477 -4.818 20.549 1.00 11.13 N ATOM 649 CA THR A 47 40.034 -4.916 20.368 1.00 1.25 C ATOM 650 C THR A 47 39.304 -3.861 21.192 1.00 50.12 C ATOM 651 O THR A 47 39.158 -3.999 22.406 1.00 45.10 O ATOM 652 CB THR A 47 39.512 -6.310 20.762 1.00 32.35 C ATOM 653 OG1 THR A 47 40.330 -6.865 21.798 1.00 21.23 O ATOM 654 CG2 THR A 47 39.503 -7.244 19.561 1.00 13.05 C ATOM 0 H THR A 47 41.769 -4.599 21.502 1.00 11.13 H new ATOM 0 HA THR A 47 39.836 -4.748 19.309 1.00 1.25 H new ATOM 0 HB THR A 47 38.490 -6.201 21.126 1.00 32.35 H new ATOM 0 HG1 THR A 47 39.990 -7.751 22.044 1.00 21.23 H new ATOM 0 HG21 THR A 47 39.130 -8.223 19.864 1.00 13.05 H new ATOM 0 HG22 THR A 47 38.856 -6.834 18.786 1.00 13.05 H new ATOM 0 HG23 THR A 47 40.516 -7.346 19.172 1.00 13.05 H new ATOM 662 N ALA A 48 38.846 -2.808 20.523 1.00 10.42 N ATOM 663 CA ALA A 48 38.128 -1.730 21.193 1.00 22.54 C ATOM 664 C ALA A 48 36.928 -1.276 20.370 1.00 13.55 C ATOM 665 O ALA A 48 35.780 -1.424 20.793 1.00 62.21 O ATOM 666 CB ALA A 48 39.062 -0.559 21.460 1.00 64.44 C ATOM 0 H ALA A 48 38.959 -2.678 19.518 1.00 10.42 H new ATOM 0 HA ALA A 48 37.759 -2.110 22.146 1.00 22.54 H new ATOM 0 HB1 ALA A 48 38.512 0.238 21.960 1.00 64.44 H new ATOM 0 HB2 ALA A 48 39.884 -0.887 22.096 1.00 64.44 H new ATOM 0 HB3 ALA A 48 39.459 -0.188 20.515 1.00 64.44 H new ATOM 672 N LEU A 49 37.199 -0.720 19.195 1.00 72.34 N ATOM 673 CA LEU A 49 36.140 -0.242 18.312 1.00 61.52 C ATOM 674 C LEU A 49 35.285 -1.402 17.811 1.00 55.43 C ATOM 675 O LEU A 49 34.121 -1.219 17.451 1.00 43.11 O ATOM 676 CB LEU A 49 36.741 0.513 17.125 1.00 12.22 C ATOM 677 CG LEU A 49 36.310 1.972 16.971 1.00 0.31 C ATOM 678 CD1 LEU A 49 34.794 2.089 17.017 1.00 4.12 C ATOM 679 CD2 LEU A 49 36.946 2.833 18.053 1.00 42.34 C ATOM 0 H LEU A 49 38.143 -0.589 18.831 1.00 72.34 H new ATOM 0 HA LEU A 49 35.504 0.436 18.881 1.00 61.52 H new ATOM 0 HB2 LEU A 49 37.827 0.483 17.213 1.00 12.22 H new ATOM 0 HB3 LEU A 49 36.480 -0.021 16.211 1.00 12.22 H new ATOM 0 HG LEU A 49 36.652 2.331 16.000 1.00 0.31 H new ATOM 0 HD11 LEU A 49 34.506 3.134 16.906 1.00 4.12 H new ATOM 0 HD12 LEU A 49 34.359 1.505 16.206 1.00 4.12 H new ATOM 0 HD13 LEU A 49 34.429 1.712 17.972 1.00 4.12 H new ATOM 0 HD21 LEU A 49 36.628 3.868 17.928 1.00 42.34 H new ATOM 0 HD22 LEU A 49 36.634 2.474 19.034 1.00 42.34 H new ATOM 0 HD23 LEU A 49 38.032 2.775 17.973 1.00 42.34 H new ATOM 691 N LYS A 50 35.867 -2.595 17.792 1.00 64.43 N ATOM 692 CA LYS A 50 35.159 -3.786 17.338 1.00 33.35 C ATOM 693 C LYS A 50 34.044 -4.159 18.310 1.00 14.33 C ATOM 694 O LYS A 50 32.889 -4.318 17.915 1.00 74.42 O ATOM 695 CB LYS A 50 36.132 -4.958 17.189 1.00 33.00 C ATOM 696 CG LYS A 50 37.284 -4.674 16.241 1.00 23.43 C ATOM 697 CD LYS A 50 36.787 -4.243 14.872 1.00 71.12 C ATOM 698 CE LYS A 50 37.407 -5.081 13.764 1.00 1.12 C ATOM 699 NZ LYS A 50 36.855 -4.728 12.427 1.00 62.42 N ATOM 0 H LYS A 50 36.829 -2.764 18.086 1.00 64.43 H new ATOM 0 HA LYS A 50 34.714 -3.566 16.368 1.00 33.35 H new ATOM 0 HB2 LYS A 50 36.534 -5.213 18.170 1.00 33.00 H new ATOM 0 HB3 LYS A 50 35.585 -5.831 16.832 1.00 33.00 H new ATOM 0 HG2 LYS A 50 37.918 -3.893 16.661 1.00 23.43 H new ATOM 0 HG3 LYS A 50 37.902 -5.566 16.140 1.00 23.43 H new ATOM 0 HD2 LYS A 50 35.701 -4.333 14.833 1.00 71.12 H new ATOM 0 HD3 LYS A 50 37.026 -3.192 14.711 1.00 71.12 H new ATOM 0 HE2 LYS A 50 38.487 -4.936 13.761 1.00 1.12 H new ATOM 0 HE3 LYS A 50 37.227 -6.137 13.964 1.00 1.12 H new ATOM 0 HZ1 LYS A 50 37.303 -5.321 11.699 1.00 62.42 H new ATOM 0 HZ2 LYS A 50 35.828 -4.890 12.422 1.00 62.42 H new ATOM 0 HZ3 LYS A 50 37.049 -3.726 12.225 1.00 62.42 H new ATOM 713 N LYS A 51 34.396 -4.294 19.584 1.00 20.23 N ATOM 714 CA LYS A 51 33.425 -4.645 20.614 1.00 2.21 C ATOM 715 C LYS A 51 32.493 -3.473 20.904 1.00 11.05 C ATOM 716 O LYS A 51 31.343 -3.665 21.303 1.00 23.00 O ATOM 717 CB LYS A 51 34.143 -5.069 21.897 1.00 31.43 C ATOM 718 CG LYS A 51 33.508 -6.268 22.581 1.00 13.55 C ATOM 719 CD LYS A 51 33.730 -6.234 24.084 1.00 13.13 C ATOM 720 CE LYS A 51 32.415 -6.328 24.844 1.00 4.20 C ATOM 721 NZ LYS A 51 31.755 -7.648 24.649 1.00 21.20 N ATOM 0 H LYS A 51 35.347 -4.166 19.928 1.00 20.23 H new ATOM 0 HA LYS A 51 32.828 -5.479 20.247 1.00 2.21 H new ATOM 0 HB2 LYS A 51 35.181 -5.303 21.662 1.00 31.43 H new ATOM 0 HB3 LYS A 51 34.155 -4.229 22.592 1.00 31.43 H new ATOM 0 HG2 LYS A 51 32.439 -6.284 22.370 1.00 13.55 H new ATOM 0 HG3 LYS A 51 33.928 -7.187 22.171 1.00 13.55 H new ATOM 0 HD2 LYS A 51 34.380 -7.059 24.376 1.00 13.13 H new ATOM 0 HD3 LYS A 51 34.244 -5.312 24.356 1.00 13.13 H new ATOM 0 HE2 LYS A 51 32.597 -6.167 25.906 1.00 4.20 H new ATOM 0 HE3 LYS A 51 31.746 -5.535 24.511 1.00 4.20 H new ATOM 0 HZ1 LYS A 51 30.871 -7.678 25.196 1.00 21.20 H new ATOM 0 HZ2 LYS A 51 31.542 -7.784 23.640 1.00 21.20 H new ATOM 0 HZ3 LYS A 51 32.390 -8.405 24.974 1.00 21.20 H new ATOM 735 N LEU A 52 32.994 -2.260 20.701 1.00 2.33 N ATOM 736 CA LEU A 52 32.205 -1.056 20.940 1.00 63.11 C ATOM 737 C LEU A 52 31.070 -0.940 19.928 1.00 14.13 C ATOM 738 O LEU A 52 29.909 -0.765 20.301 1.00 41.22 O ATOM 739 CB LEU A 52 33.097 0.185 20.867 1.00 20.34 C ATOM 740 CG LEU A 52 33.539 0.773 22.208 1.00 62.22 C ATOM 741 CD1 LEU A 52 32.363 1.425 22.918 1.00 24.04 C ATOM 742 CD2 LEU A 52 34.163 -0.305 23.083 1.00 11.41 C ATOM 0 H LEU A 52 33.943 -2.084 20.371 1.00 2.33 H new ATOM 0 HA LEU A 52 31.772 -1.127 21.938 1.00 63.11 H new ATOM 0 HB2 LEU A 52 33.988 -0.066 20.291 1.00 20.34 H new ATOM 0 HB3 LEU A 52 32.566 0.958 20.311 1.00 20.34 H new ATOM 0 HG LEU A 52 34.291 1.538 22.018 1.00 62.22 H new ATOM 0 HD11 LEU A 52 32.696 1.838 23.870 1.00 24.04 H new ATOM 0 HD12 LEU A 52 31.961 2.225 22.296 1.00 24.04 H new ATOM 0 HD13 LEU A 52 31.588 0.680 23.097 1.00 24.04 H new ATOM 0 HD21 LEU A 52 34.472 0.131 24.033 1.00 11.41 H new ATOM 0 HD22 LEU A 52 33.433 -1.093 23.266 1.00 11.41 H new ATOM 0 HD23 LEU A 52 35.032 -0.726 22.578 1.00 11.41 H new ATOM 754 N ILE A 53 31.412 -1.041 18.648 1.00 12.34 N ATOM 755 CA ILE A 53 30.420 -0.950 17.584 1.00 63.33 C ATOM 756 C ILE A 53 29.552 -2.203 17.533 1.00 24.00 C ATOM 757 O ILE A 53 28.378 -2.143 17.168 1.00 41.20 O ATOM 758 CB ILE A 53 31.086 -0.745 16.210 1.00 2.13 C ATOM 759 CG1 ILE A 53 31.868 -1.996 15.806 1.00 23.30 C ATOM 760 CG2 ILE A 53 32.001 0.471 16.242 1.00 75.35 C ATOM 761 CD1 ILE A 53 31.075 -2.952 14.942 1.00 3.40 C ATOM 0 H ILE A 53 32.368 -1.186 18.323 1.00 12.34 H new ATOM 0 HA ILE A 53 29.794 -0.086 17.809 1.00 63.33 H new ATOM 0 HB ILE A 53 30.307 -0.571 15.467 1.00 2.13 H new ATOM 0 HG12 ILE A 53 32.767 -1.695 15.269 1.00 23.30 H new ATOM 0 HG13 ILE A 53 32.194 -2.517 16.706 1.00 23.30 H new ATOM 0 HG21 ILE A 53 32.465 0.603 15.264 1.00 75.35 H new ATOM 0 HG22 ILE A 53 31.419 1.358 16.491 1.00 75.35 H new ATOM 0 HG23 ILE A 53 32.776 0.323 16.994 1.00 75.35 H new ATOM 0 HD11 ILE A 53 31.692 -3.816 14.694 1.00 3.40 H new ATOM 0 HD12 ILE A 53 30.189 -3.283 15.484 1.00 3.40 H new ATOM 0 HD13 ILE A 53 30.772 -2.447 14.025 1.00 3.40 H new ATOM 773 N ASP A 54 30.137 -3.337 17.903 1.00 5.32 N ATOM 774 CA ASP A 54 29.417 -4.605 17.903 1.00 10.40 C ATOM 775 C ASP A 54 28.423 -4.665 19.059 1.00 23.10 C ATOM 776 O ASP A 54 27.260 -5.026 18.875 1.00 65.52 O ATOM 777 CB ASP A 54 30.399 -5.774 17.996 1.00 12.44 C ATOM 778 CG ASP A 54 29.699 -7.118 18.004 1.00 32.40 C ATOM 779 OD1 ASP A 54 28.957 -7.406 17.042 1.00 60.13 O ATOM 780 OD2 ASP A 54 29.892 -7.883 18.973 1.00 50.22 O ATOM 0 H ASP A 54 31.108 -3.404 18.207 1.00 5.32 H new ATOM 0 HA ASP A 54 28.863 -4.680 16.967 1.00 10.40 H new ATOM 0 HB2 ASP A 54 31.090 -5.732 17.154 1.00 12.44 H new ATOM 0 HB3 ASP A 54 30.995 -5.673 18.903 1.00 12.44 H new ATOM 785 N THR A 55 28.889 -4.310 20.252 1.00 2.15 N ATOM 786 CA THR A 55 28.043 -4.326 21.439 1.00 50.11 C ATOM 787 C THR A 55 26.985 -3.231 21.374 1.00 13.43 C ATOM 788 O THR A 55 25.842 -3.432 21.787 1.00 25.43 O ATOM 789 CB THR A 55 28.873 -4.146 22.724 1.00 64.32 C ATOM 790 OG1 THR A 55 29.853 -5.186 22.824 1.00 74.35 O ATOM 791 CG2 THR A 55 27.978 -4.166 23.954 1.00 45.23 C ATOM 0 H THR A 55 29.848 -4.008 20.422 1.00 2.15 H new ATOM 0 HA THR A 55 27.554 -5.300 21.465 1.00 50.11 H new ATOM 0 HB THR A 55 29.373 -3.179 22.674 1.00 64.32 H new ATOM 0 HG1 THR A 55 30.580 -5.013 22.190 1.00 74.35 H new ATOM 0 HG21 THR A 55 28.587 -4.037 24.849 1.00 45.23 H new ATOM 0 HG22 THR A 55 27.252 -3.355 23.889 1.00 45.23 H new ATOM 0 HG23 THR A 55 27.453 -5.120 24.006 1.00 45.23 H new ATOM 799 N TYR A 56 27.371 -2.071 20.853 1.00 20.42 N ATOM 800 CA TYR A 56 26.455 -0.943 20.736 1.00 21.01 C ATOM 801 C TYR A 56 25.388 -1.215 19.681 1.00 73.05 C ATOM 802 O TYR A 56 24.190 -1.131 19.956 1.00 23.04 O ATOM 803 CB TYR A 56 27.225 0.331 20.383 1.00 75.11 C ATOM 804 CG TYR A 56 26.403 1.593 20.522 1.00 21.30 C ATOM 805 CD1 TYR A 56 25.387 1.887 19.621 1.00 4.00 C ATOM 806 CD2 TYR A 56 26.642 2.490 21.556 1.00 44.24 C ATOM 807 CE1 TYR A 56 24.635 3.039 19.744 1.00 1.10 C ATOM 808 CE2 TYR A 56 25.894 3.644 21.687 1.00 21.02 C ATOM 809 CZ TYR A 56 24.892 3.914 20.779 1.00 40.23 C ATOM 810 OH TYR A 56 24.144 5.062 20.906 1.00 51.25 O ATOM 0 H TYR A 56 28.312 -1.888 20.505 1.00 20.42 H new ATOM 0 HA TYR A 56 25.962 -0.807 21.698 1.00 21.01 H new ATOM 0 HB2 TYR A 56 28.102 0.406 21.026 1.00 75.11 H new ATOM 0 HB3 TYR A 56 27.587 0.254 19.358 1.00 75.11 H new ATOM 0 HD1 TYR A 56 25.182 1.203 18.811 1.00 4.00 H new ATOM 0 HD2 TYR A 56 27.426 2.281 22.269 1.00 44.24 H new ATOM 0 HE1 TYR A 56 23.850 3.254 19.034 1.00 1.10 H new ATOM 0 HE2 TYR A 56 26.093 4.331 22.496 1.00 21.02 H new ATOM 0 HH TYR A 56 23.874 5.377 20.018 1.00 51.25 H new ATOM 820 N CYS A 57 25.831 -1.542 18.472 1.00 54.34 N ATOM 821 CA CYS A 57 24.915 -1.827 17.373 1.00 55.42 C ATOM 822 C CYS A 57 23.980 -2.978 17.729 1.00 63.54 C ATOM 823 O CYS A 57 22.763 -2.874 17.578 1.00 72.20 O ATOM 824 CB CYS A 57 25.697 -2.162 16.103 1.00 64.43 C ATOM 825 SG CYS A 57 24.722 -2.056 14.584 1.00 35.02 S ATOM 0 H CYS A 57 26.819 -1.616 18.228 1.00 54.34 H new ATOM 0 HA CYS A 57 24.313 -0.936 17.195 1.00 55.42 H new ATOM 0 HB2 CYS A 57 26.547 -1.485 16.024 1.00 64.43 H new ATOM 0 HB3 CYS A 57 26.100 -3.171 16.193 1.00 64.43 H new ATOM 0 HG CYS A 57 23.628 -2.744 14.722 1.00 35.02 H new ATOM 831 N LYS A 58 24.558 -4.078 18.200 1.00 23.00 N ATOM 832 CA LYS A 58 23.779 -5.251 18.577 1.00 32.13 C ATOM 833 C LYS A 58 22.805 -4.918 19.703 1.00 22.34 C ATOM 834 O LYS A 58 21.734 -5.516 19.809 1.00 20.11 O ATOM 835 CB LYS A 58 24.707 -6.388 19.011 1.00 41.12 C ATOM 836 CG LYS A 58 24.029 -7.746 19.048 1.00 71.53 C ATOM 837 CD LYS A 58 24.152 -8.394 20.417 1.00 55.11 C ATOM 838 CE LYS A 58 23.419 -9.726 20.471 1.00 25.01 C ATOM 839 NZ LYS A 58 24.196 -10.813 19.813 1.00 41.11 N ATOM 0 H LYS A 58 25.564 -4.181 18.330 1.00 23.00 H new ATOM 0 HA LYS A 58 23.206 -5.570 17.707 1.00 32.13 H new ATOM 0 HB2 LYS A 58 25.556 -6.434 18.329 1.00 41.12 H new ATOM 0 HB3 LYS A 58 25.105 -6.163 20.000 1.00 41.12 H new ATOM 0 HG2 LYS A 58 22.976 -7.635 18.790 1.00 71.53 H new ATOM 0 HG3 LYS A 58 24.474 -8.397 18.295 1.00 71.53 H new ATOM 0 HD2 LYS A 58 25.205 -8.547 20.655 1.00 55.11 H new ATOM 0 HD3 LYS A 58 23.748 -7.724 21.176 1.00 55.11 H new ATOM 0 HE2 LYS A 58 23.228 -9.994 21.510 1.00 25.01 H new ATOM 0 HE3 LYS A 58 22.449 -9.627 19.984 1.00 25.01 H new ATOM 0 HZ1 LYS A 58 23.663 -11.704 19.871 1.00 41.11 H new ATOM 0 HZ2 LYS A 58 24.357 -10.570 18.815 1.00 41.11 H new ATOM 0 HZ3 LYS A 58 25.111 -10.925 20.294 1.00 41.11 H new ATOM 853 N LYS A 59 23.183 -3.960 20.542 1.00 3.13 N ATOM 854 CA LYS A 59 22.343 -3.545 21.659 1.00 1.33 C ATOM 855 C LYS A 59 21.112 -2.792 21.164 1.00 63.00 C ATOM 856 O LYS A 59 19.993 -3.064 21.596 1.00 14.12 O ATOM 857 CB LYS A 59 23.140 -2.663 22.623 1.00 12.42 C ATOM 858 CG LYS A 59 23.748 -3.427 23.786 1.00 32.42 C ATOM 859 CD LYS A 59 23.007 -3.151 25.084 1.00 41.33 C ATOM 860 CE LYS A 59 23.936 -3.235 26.285 1.00 44.41 C ATOM 861 NZ LYS A 59 23.193 -3.126 27.570 1.00 15.14 N ATOM 0 H LYS A 59 24.067 -3.456 20.469 1.00 3.13 H new ATOM 0 HA LYS A 59 22.012 -4.441 22.185 1.00 1.33 H new ATOM 0 HB2 LYS A 59 23.937 -2.164 22.071 1.00 12.42 H new ATOM 0 HB3 LYS A 59 22.486 -1.883 23.014 1.00 12.42 H new ATOM 0 HG2 LYS A 59 23.724 -4.496 23.573 1.00 32.42 H new ATOM 0 HG3 LYS A 59 24.796 -3.148 23.898 1.00 32.42 H new ATOM 0 HD2 LYS A 59 22.554 -2.161 25.042 1.00 41.33 H new ATOM 0 HD3 LYS A 59 22.195 -3.869 25.200 1.00 41.33 H new ATOM 0 HE2 LYS A 59 24.479 -4.180 26.259 1.00 44.41 H new ATOM 0 HE3 LYS A 59 24.678 -2.439 26.226 1.00 44.41 H new ATOM 0 HZ1 LYS A 59 23.862 -3.188 28.364 1.00 15.14 H new ATOM 0 HZ2 LYS A 59 22.695 -2.214 27.607 1.00 15.14 H new ATOM 0 HZ3 LYS A 59 22.502 -3.900 27.638 1.00 15.14 H new ATOM 875 N GLN A 60 21.328 -1.847 20.255 1.00 44.12 N ATOM 876 CA GLN A 60 20.236 -1.056 19.701 1.00 75.41 C ATOM 877 C GLN A 60 19.224 -1.949 18.990 1.00 71.12 C ATOM 878 O GLN A 60 18.082 -1.552 18.764 1.00 74.22 O ATOM 879 CB GLN A 60 20.779 -0.007 18.730 1.00 54.32 C ATOM 880 CG GLN A 60 19.742 1.019 18.301 1.00 2.41 C ATOM 881 CD GLN A 60 20.352 2.184 17.545 1.00 34.15 C ATOM 882 OE1 GLN A 60 20.277 3.332 17.985 1.00 30.54 O ATOM 883 NE2 GLN A 60 20.960 1.894 16.401 1.00 14.11 N ATOM 0 H GLN A 60 22.249 -1.611 19.887 1.00 44.12 H new ATOM 0 HA GLN A 60 19.732 -0.551 20.525 1.00 75.41 H new ATOM 0 HB2 GLN A 60 21.617 0.509 19.198 1.00 54.32 H new ATOM 0 HB3 GLN A 60 21.168 -0.510 17.845 1.00 54.32 H new ATOM 0 HG2 GLN A 60 18.995 0.534 17.673 1.00 2.41 H new ATOM 0 HG3 GLN A 60 19.222 1.395 19.182 1.00 2.41 H new ATOM 0 HE21 GLN A 60 20.998 0.928 16.074 1.00 14.11 H new ATOM 0 HE22 GLN A 60 21.389 2.637 15.849 1.00 14.11 H new ATOM 892 N GLY A 61 19.652 -3.158 18.639 1.00 43.13 N ATOM 893 CA GLY A 61 18.772 -4.088 17.956 1.00 13.22 C ATOM 894 C GLY A 61 18.652 -3.792 16.474 1.00 25.13 C ATOM 895 O GLY A 61 17.633 -4.096 15.854 1.00 22.40 O ATOM 0 H GLY A 61 20.593 -3.510 18.816 1.00 43.13 H new ATOM 0 HA2 GLY A 61 19.146 -5.103 18.091 1.00 13.22 H new ATOM 0 HA3 GLY A 61 17.783 -4.049 18.412 1.00 13.22 H new ATOM 899 N ILE A 62 19.695 -3.196 15.906 1.00 61.12 N ATOM 900 CA ILE A 62 19.702 -2.859 14.488 1.00 40.22 C ATOM 901 C ILE A 62 20.933 -3.430 13.793 1.00 43.01 C ATOM 902 O ILE A 62 22.007 -3.524 14.388 1.00 72.22 O ATOM 903 CB ILE A 62 19.665 -1.334 14.272 1.00 63.45 C ATOM 904 CG1 ILE A 62 18.675 -0.684 15.240 1.00 41.33 C ATOM 905 CG2 ILE A 62 19.295 -1.013 12.831 1.00 4.53 C ATOM 906 CD1 ILE A 62 17.259 -1.194 15.089 1.00 1.04 C ATOM 0 H ILE A 62 20.546 -2.937 16.406 1.00 61.12 H new ATOM 0 HA ILE A 62 18.805 -3.301 14.054 1.00 40.22 H new ATOM 0 HB ILE A 62 20.657 -0.929 14.471 1.00 63.45 H new ATOM 0 HG12 ILE A 62 19.009 -0.861 16.262 1.00 41.33 H new ATOM 0 HG13 ILE A 62 18.683 0.395 15.085 1.00 41.33 H new ATOM 0 HG21 ILE A 62 19.273 0.068 12.693 1.00 4.53 H new ATOM 0 HG22 ILE A 62 20.035 -1.449 12.160 1.00 4.53 H new ATOM 0 HG23 ILE A 62 18.312 -1.428 12.607 1.00 4.53 H new ATOM 0 HD11 ILE A 62 16.612 -0.689 15.807 1.00 1.04 H new ATOM 0 HD12 ILE A 62 16.906 -0.993 14.078 1.00 1.04 H new ATOM 0 HD13 ILE A 62 17.237 -2.268 15.274 1.00 1.04 H new ATOM 918 N SER A 63 20.771 -3.808 12.529 1.00 34.41 N ATOM 919 CA SER A 63 21.869 -4.372 11.753 1.00 74.43 C ATOM 920 C SER A 63 23.042 -3.400 11.685 1.00 51.40 C ATOM 921 O SER A 63 22.925 -2.240 12.083 1.00 60.43 O ATOM 922 CB SER A 63 21.396 -4.719 10.339 1.00 4.13 C ATOM 923 OG SER A 63 21.487 -6.112 10.099 1.00 72.53 O ATOM 0 H SER A 63 19.890 -3.734 12.021 1.00 34.41 H new ATOM 0 HA SER A 63 22.203 -5.282 12.251 1.00 74.43 H new ATOM 0 HB2 SER A 63 20.365 -4.390 10.206 1.00 4.13 H new ATOM 0 HB3 SER A 63 21.999 -4.181 9.608 1.00 4.13 H new ATOM 0 HG SER A 63 21.178 -6.308 9.190 1.00 72.53 H new ATOM 929 N ARG A 64 24.173 -3.880 11.178 1.00 35.43 N ATOM 930 CA ARG A 64 25.368 -3.055 11.059 1.00 3.11 C ATOM 931 C ARG A 64 25.358 -2.268 9.751 1.00 32.55 C ATOM 932 O ARG A 64 26.323 -2.300 8.989 1.00 33.30 O ATOM 933 CB ARG A 64 26.624 -3.925 11.133 1.00 22.22 C ATOM 934 CG ARG A 64 26.627 -5.076 10.141 1.00 60.24 C ATOM 935 CD ARG A 64 26.394 -6.410 10.833 1.00 1.24 C ATOM 936 NE ARG A 64 27.597 -6.896 11.503 1.00 23.20 N ATOM 937 CZ ARG A 64 27.704 -8.109 12.033 1.00 34.54 C ATOM 938 NH1 ARG A 64 26.684 -8.955 11.972 1.00 63.11 N ATOM 939 NH2 ARG A 64 28.832 -8.479 12.626 1.00 33.23 N ATOM 0 H ARG A 64 24.286 -4.837 10.843 1.00 35.43 H new ATOM 0 HA ARG A 64 25.374 -2.348 11.889 1.00 3.11 H new ATOM 0 HB2 ARG A 64 27.499 -3.300 10.954 1.00 22.22 H new ATOM 0 HB3 ARG A 64 26.719 -4.326 12.142 1.00 22.22 H new ATOM 0 HG2 ARG A 64 25.852 -4.914 9.392 1.00 60.24 H new ATOM 0 HG3 ARG A 64 27.581 -5.100 9.614 1.00 60.24 H new ATOM 0 HD2 ARG A 64 25.590 -6.305 11.562 1.00 1.24 H new ATOM 0 HD3 ARG A 64 26.065 -7.146 10.100 1.00 1.24 H new ATOM 0 HE ARG A 64 28.399 -6.269 11.567 1.00 23.20 H new ATOM 0 HH11 ARG A 64 25.815 -8.674 11.517 1.00 63.11 H new ATOM 0 HH12 ARG A 64 26.769 -9.886 12.380 1.00 63.11 H new ATOM 0 HH21 ARG A 64 29.618 -7.831 12.675 1.00 33.23 H new ATOM 0 HH22 ARG A 64 28.913 -9.411 13.033 1.00 33.23 H new ATOM 953 N ASN A 65 24.259 -1.564 9.499 1.00 4.25 N ATOM 954 CA ASN A 65 24.123 -0.770 8.284 1.00 72.03 C ATOM 955 C ASN A 65 23.279 0.475 8.539 1.00 73.11 C ATOM 956 O ASN A 65 22.290 0.720 7.847 1.00 23.12 O ATOM 957 CB ASN A 65 23.491 -1.609 7.171 1.00 44.45 C ATOM 958 CG ASN A 65 24.015 -3.032 7.151 1.00 41.32 C ATOM 959 OD1 ASN A 65 25.188 -3.269 6.861 1.00 73.52 O ATOM 960 ND2 ASN A 65 23.145 -3.986 7.460 1.00 23.30 N ATOM 0 H ASN A 65 23.450 -1.527 10.120 1.00 4.25 H new ATOM 0 HA ASN A 65 25.119 -0.454 7.972 1.00 72.03 H new ATOM 0 HB2 ASN A 65 22.409 -1.625 7.302 1.00 44.45 H new ATOM 0 HB3 ASN A 65 23.689 -1.138 6.208 1.00 44.45 H new ATOM 0 HD21 ASN A 65 23.439 -4.963 7.464 1.00 23.30 H new ATOM 0 HD22 ASN A 65 22.183 -3.742 7.694 1.00 23.30 H new ATOM 967 N SER A 66 23.676 1.258 9.536 1.00 0.44 N ATOM 968 CA SER A 66 22.955 2.477 9.885 1.00 33.34 C ATOM 969 C SER A 66 23.664 3.224 11.011 1.00 54.33 C ATOM 970 O SER A 66 23.025 3.867 11.844 1.00 55.02 O ATOM 971 CB SER A 66 21.521 2.144 10.303 1.00 20.20 C ATOM 972 OG SER A 66 20.590 2.988 9.648 1.00 1.25 O ATOM 0 H SER A 66 24.493 1.071 10.117 1.00 0.44 H new ATOM 0 HA SER A 66 22.930 3.120 9.005 1.00 33.34 H new ATOM 0 HB2 SER A 66 21.302 1.103 10.066 1.00 20.20 H new ATOM 0 HB3 SER A 66 21.419 2.253 11.383 1.00 20.20 H new ATOM 0 HG SER A 66 20.741 3.917 9.923 1.00 1.25 H new ATOM 978 N VAL A 67 24.990 3.135 11.028 1.00 12.04 N ATOM 979 CA VAL A 67 25.787 3.803 12.050 1.00 45.02 C ATOM 980 C VAL A 67 27.194 4.100 11.542 1.00 71.22 C ATOM 981 O VAL A 67 27.945 3.188 11.195 1.00 31.01 O ATOM 982 CB VAL A 67 25.885 2.953 13.331 1.00 52.33 C ATOM 983 CG1 VAL A 67 24.590 3.035 14.125 1.00 24.24 C ATOM 984 CG2 VAL A 67 26.219 1.510 12.988 1.00 64.54 C ATOM 0 H VAL A 67 25.535 2.607 10.346 1.00 12.04 H new ATOM 0 HA VAL A 67 25.282 4.740 12.283 1.00 45.02 H new ATOM 0 HB VAL A 67 26.689 3.350 13.950 1.00 52.33 H new ATOM 0 HG11 VAL A 67 24.677 2.429 15.027 1.00 24.24 H new ATOM 0 HG12 VAL A 67 24.398 4.072 14.402 1.00 24.24 H new ATOM 0 HG13 VAL A 67 23.766 2.664 13.516 1.00 24.24 H new ATOM 0 HG21 VAL A 67 26.284 0.924 13.905 1.00 64.54 H new ATOM 0 HG22 VAL A 67 25.438 1.098 12.349 1.00 64.54 H new ATOM 0 HG23 VAL A 67 27.174 1.472 12.464 1.00 64.54 H new ATOM 994 N ARG A 68 27.544 5.381 11.501 1.00 42.21 N ATOM 995 CA ARG A 68 28.861 5.799 11.035 1.00 71.35 C ATOM 996 C ARG A 68 29.689 6.369 12.183 1.00 72.44 C ATOM 997 O ARG A 68 29.414 7.462 12.677 1.00 50.21 O ATOM 998 CB ARG A 68 28.725 6.841 9.923 1.00 12.22 C ATOM 999 CG ARG A 68 28.342 6.249 8.577 1.00 52.44 C ATOM 1000 CD ARG A 68 27.937 7.331 7.588 1.00 54.24 C ATOM 1001 NE ARG A 68 27.647 6.783 6.265 1.00 15.14 N ATOM 1002 CZ ARG A 68 28.584 6.468 5.379 1.00 40.25 C ATOM 1003 NH1 ARG A 68 29.865 6.646 5.672 1.00 72.35 N ATOM 1004 NH2 ARG A 68 28.241 5.974 4.196 1.00 50.02 N ATOM 0 H ARG A 68 26.934 6.148 11.785 1.00 42.21 H new ATOM 0 HA ARG A 68 29.374 4.922 10.641 1.00 71.35 H new ATOM 0 HB2 ARG A 68 27.974 7.575 10.214 1.00 12.22 H new ATOM 0 HB3 ARG A 68 29.669 7.375 9.820 1.00 12.22 H new ATOM 0 HG2 ARG A 68 29.182 5.683 8.175 1.00 52.44 H new ATOM 0 HG3 ARG A 68 27.518 5.547 8.708 1.00 52.44 H new ATOM 0 HD2 ARG A 68 27.058 7.855 7.964 1.00 54.24 H new ATOM 0 HD3 ARG A 68 28.737 8.067 7.508 1.00 54.24 H new ATOM 0 HE ARG A 68 26.671 6.634 6.008 1.00 15.14 H new ATOM 0 HH11 ARG A 68 30.132 7.026 6.580 1.00 72.35 H new ATOM 0 HH12 ARG A 68 30.583 6.403 4.989 1.00 72.35 H new ATOM 0 HH21 ARG A 68 27.257 5.836 3.967 1.00 50.02 H new ATOM 0 HH22 ARG A 68 28.962 5.732 3.516 1.00 50.02 H new ATOM 1018 N PHE A 69 30.703 5.620 12.602 1.00 21.35 N ATOM 1019 CA PHE A 69 31.570 6.049 13.693 1.00 4.33 C ATOM 1020 C PHE A 69 32.780 6.810 13.159 1.00 42.12 C ATOM 1021 O PHE A 69 33.610 6.253 12.439 1.00 24.14 O ATOM 1022 CB PHE A 69 32.034 4.842 14.511 1.00 75.44 C ATOM 1023 CG PHE A 69 30.916 3.915 14.898 1.00 41.44 C ATOM 1024 CD1 PHE A 69 30.463 2.948 14.015 1.00 40.41 C ATOM 1025 CD2 PHE A 69 30.319 4.012 16.144 1.00 55.31 C ATOM 1026 CE1 PHE A 69 29.435 2.094 14.368 1.00 42.31 C ATOM 1027 CE2 PHE A 69 29.291 3.161 16.503 1.00 72.24 C ATOM 1028 CZ PHE A 69 28.848 2.201 15.613 1.00 13.52 C ATOM 0 H PHE A 69 30.945 4.713 12.203 1.00 21.35 H new ATOM 0 HA PHE A 69 30.997 6.716 14.337 1.00 4.33 H new ATOM 0 HB2 PHE A 69 32.774 4.286 13.936 1.00 75.44 H new ATOM 0 HB3 PHE A 69 32.532 5.195 15.414 1.00 75.44 H new ATOM 0 HD1 PHE A 69 30.918 2.861 13.040 1.00 40.41 H new ATOM 0 HD2 PHE A 69 30.661 4.761 16.843 1.00 55.31 H new ATOM 0 HE1 PHE A 69 29.091 1.344 13.671 1.00 42.31 H new ATOM 0 HE2 PHE A 69 28.834 3.246 17.478 1.00 72.24 H new ATOM 0 HZ PHE A 69 28.044 1.536 15.891 1.00 13.52 H new ATOM 1038 N LEU A 70 32.873 8.087 13.515 1.00 23.50 N ATOM 1039 CA LEU A 70 33.981 8.926 13.072 1.00 60.24 C ATOM 1040 C LEU A 70 34.729 9.515 14.263 1.00 30.34 C ATOM 1041 O LEU A 70 34.149 9.734 15.327 1.00 30.10 O ATOM 1042 CB LEU A 70 33.466 10.051 12.172 1.00 61.53 C ATOM 1043 CG LEU A 70 32.101 10.633 12.539 1.00 32.54 C ATOM 1044 CD1 LEU A 70 32.194 11.443 13.823 1.00 41.02 C ATOM 1045 CD2 LEU A 70 31.563 11.490 11.403 1.00 31.20 C ATOM 0 H LEU A 70 32.195 8.564 14.109 1.00 23.50 H new ATOM 0 HA LEU A 70 34.672 8.302 12.505 1.00 60.24 H new ATOM 0 HB2 LEU A 70 34.197 10.859 12.180 1.00 61.53 H new ATOM 0 HB3 LEU A 70 33.416 9.677 11.149 1.00 61.53 H new ATOM 0 HG LEU A 70 31.408 9.808 12.704 1.00 32.54 H new ATOM 0 HD11 LEU A 70 31.213 11.850 14.069 1.00 41.02 H new ATOM 0 HD12 LEU A 70 32.534 10.800 14.635 1.00 41.02 H new ATOM 0 HD13 LEU A 70 32.902 12.261 13.687 1.00 41.02 H new ATOM 0 HD21 LEU A 70 30.591 11.896 11.682 1.00 31.20 H new ATOM 0 HD22 LEU A 70 32.255 12.309 11.206 1.00 31.20 H new ATOM 0 HD23 LEU A 70 31.457 10.880 10.506 1.00 31.20 H new ATOM 1057 N PHE A 71 36.020 9.771 14.077 1.00 33.25 N ATOM 1058 CA PHE A 71 36.847 10.336 15.137 1.00 63.12 C ATOM 1059 C PHE A 71 37.451 11.669 14.703 1.00 31.51 C ATOM 1060 O PHE A 71 38.405 11.706 13.926 1.00 1.52 O ATOM 1061 CB PHE A 71 37.961 9.359 15.519 1.00 61.11 C ATOM 1062 CG PHE A 71 39.067 9.992 16.314 1.00 62.02 C ATOM 1063 CD1 PHE A 71 38.781 10.847 17.366 1.00 75.21 C ATOM 1064 CD2 PHE A 71 40.394 9.733 16.009 1.00 74.45 C ATOM 1065 CE1 PHE A 71 39.796 11.431 18.100 1.00 70.33 C ATOM 1066 CE2 PHE A 71 41.413 10.313 16.739 1.00 41.31 C ATOM 1067 CZ PHE A 71 41.114 11.164 17.785 1.00 40.31 C ATOM 0 H PHE A 71 36.516 9.596 13.203 1.00 33.25 H new ATOM 0 HA PHE A 71 36.212 10.510 16.006 1.00 63.12 H new ATOM 0 HB2 PHE A 71 37.533 8.540 16.096 1.00 61.11 H new ATOM 0 HB3 PHE A 71 38.380 8.925 14.611 1.00 61.11 H new ATOM 0 HD1 PHE A 71 37.752 11.060 17.616 1.00 75.21 H new ATOM 0 HD2 PHE A 71 40.634 9.070 15.191 1.00 74.45 H new ATOM 0 HE1 PHE A 71 39.559 12.095 18.918 1.00 70.33 H new ATOM 0 HE2 PHE A 71 42.443 10.101 16.492 1.00 41.31 H new ATOM 0 HZ PHE A 71 41.910 11.620 18.356 1.00 40.31 H new ATOM 1077 N ASP A 72 36.887 12.759 15.210 1.00 2.23 N ATOM 1078 CA ASP A 72 37.369 14.095 14.877 1.00 70.44 C ATOM 1079 C ASP A 72 37.383 14.305 13.366 1.00 43.33 C ATOM 1080 O ASP A 72 38.193 15.070 12.843 1.00 14.31 O ATOM 1081 CB ASP A 72 38.771 14.312 15.448 1.00 62.44 C ATOM 1082 CG ASP A 72 38.989 15.735 15.922 1.00 64.04 C ATOM 1083 OD1 ASP A 72 39.288 16.603 15.075 1.00 3.40 O ATOM 1084 OD2 ASP A 72 38.860 15.981 17.139 1.00 65.21 O ATOM 0 H ASP A 72 36.096 12.744 15.853 1.00 2.23 H new ATOM 0 HA ASP A 72 36.689 14.822 15.321 1.00 70.44 H new ATOM 0 HB2 ASP A 72 38.931 13.626 16.280 1.00 62.44 H new ATOM 0 HB3 ASP A 72 39.512 14.068 14.687 1.00 62.44 H new ATOM 1089 N GLY A 73 36.482 13.620 12.669 1.00 72.21 N ATOM 1090 CA GLY A 73 36.409 13.745 11.225 1.00 72.31 C ATOM 1091 C GLY A 73 36.965 12.530 10.509 1.00 22.00 C ATOM 1092 O GLY A 73 37.117 12.535 9.287 1.00 72.32 O ATOM 0 H GLY A 73 35.801 12.980 13.079 1.00 72.21 H new ATOM 0 HA2 GLY A 73 35.371 13.894 10.928 1.00 72.31 H new ATOM 0 HA3 GLY A 73 36.961 14.631 10.912 1.00 72.31 H new ATOM 1096 N THR A 74 37.273 11.485 11.271 1.00 32.02 N ATOM 1097 CA THR A 74 37.818 10.259 10.703 1.00 64.20 C ATOM 1098 C THR A 74 36.800 9.126 10.760 1.00 60.15 C ATOM 1099 O THR A 74 36.795 8.309 11.680 1.00 23.52 O ATOM 1100 CB THR A 74 39.099 9.820 11.438 1.00 12.14 C ATOM 1101 OG1 THR A 74 39.971 10.942 11.614 1.00 24.34 O ATOM 1102 CG2 THR A 74 39.820 8.727 10.664 1.00 33.23 C ATOM 0 H THR A 74 37.154 11.464 12.284 1.00 32.02 H new ATOM 0 HA THR A 74 38.060 10.474 9.662 1.00 64.20 H new ATOM 0 HB THR A 74 38.815 9.425 12.413 1.00 12.14 H new ATOM 0 HG1 THR A 74 39.693 11.452 12.403 1.00 24.34 H new ATOM 0 HG21 THR A 74 40.721 8.434 11.203 1.00 33.23 H new ATOM 0 HG22 THR A 74 39.164 7.863 10.557 1.00 33.23 H new ATOM 0 HG23 THR A 74 40.093 9.100 9.677 1.00 33.23 H new ATOM 1110 N PRO A 75 35.916 9.073 9.752 1.00 12.23 N ATOM 1111 CA PRO A 75 34.877 8.043 9.664 1.00 15.15 C ATOM 1112 C PRO A 75 35.452 6.664 9.362 1.00 74.32 C ATOM 1113 O PRO A 75 35.734 6.338 8.208 1.00 12.22 O ATOM 1114 CB PRO A 75 33.999 8.523 8.506 1.00 71.44 C ATOM 1115 CG PRO A 75 34.902 9.360 7.668 1.00 63.03 C ATOM 1116 CD PRO A 75 35.863 10.015 8.621 1.00 31.34 C ATOM 0 HA PRO A 75 34.338 7.926 10.604 1.00 15.15 H new ATOM 0 HB2 PRO A 75 33.598 7.683 7.939 1.00 71.44 H new ATOM 0 HB3 PRO A 75 33.147 9.099 8.867 1.00 71.44 H new ATOM 0 HG2 PRO A 75 35.432 8.750 6.937 1.00 63.03 H new ATOM 0 HG3 PRO A 75 34.336 10.106 7.110 1.00 63.03 H new ATOM 0 HD2 PRO A 75 36.845 10.156 8.169 1.00 31.34 H new ATOM 0 HD3 PRO A 75 35.512 10.999 8.933 1.00 31.34 H new ATOM 1124 N ILE A 76 35.622 5.857 10.404 1.00 44.31 N ATOM 1125 CA ILE A 76 36.162 4.512 10.248 1.00 4.42 C ATOM 1126 C ILE A 76 35.576 3.561 11.286 1.00 70.15 C ATOM 1127 O ILE A 76 35.403 3.925 12.449 1.00 61.31 O ATOM 1128 CB ILE A 76 37.698 4.505 10.371 1.00 74.53 C ATOM 1129 CG1 ILE A 76 38.307 5.598 9.491 1.00 11.20 C ATOM 1130 CG2 ILE A 76 38.252 3.140 9.989 1.00 4.24 C ATOM 1131 CD1 ILE A 76 39.816 5.664 9.567 1.00 2.02 C ATOM 0 H ILE A 76 35.394 6.111 11.365 1.00 44.31 H new ATOM 0 HA ILE A 76 35.884 4.173 9.250 1.00 4.42 H new ATOM 0 HB ILE A 76 37.966 4.708 11.408 1.00 74.53 H new ATOM 0 HG12 ILE A 76 38.011 5.427 8.456 1.00 11.20 H new ATOM 0 HG13 ILE A 76 37.894 6.563 9.786 1.00 11.20 H new ATOM 0 HG21 ILE A 76 39.338 3.150 10.080 1.00 4.24 H new ATOM 0 HG22 ILE A 76 37.839 2.381 10.653 1.00 4.24 H new ATOM 0 HG23 ILE A 76 37.977 2.911 8.960 1.00 4.24 H new ATOM 0 HD11 ILE A 76 40.178 6.461 8.918 1.00 2.02 H new ATOM 0 HD12 ILE A 76 40.120 5.866 10.594 1.00 2.02 H new ATOM 0 HD13 ILE A 76 40.239 4.713 9.244 1.00 2.02 H new ATOM 1143 N ASP A 77 35.273 2.341 10.857 1.00 65.44 N ATOM 1144 CA ASP A 77 34.709 1.335 11.749 1.00 70.42 C ATOM 1145 C ASP A 77 35.664 0.157 11.913 1.00 22.32 C ATOM 1146 O ASP A 77 35.591 -0.822 11.170 1.00 2.53 O ATOM 1147 CB ASP A 77 33.363 0.845 11.213 1.00 32.30 C ATOM 1148 CG ASP A 77 33.419 0.497 9.739 1.00 74.54 C ATOM 1149 OD1 ASP A 77 33.432 1.430 8.908 1.00 20.43 O ATOM 1150 OD2 ASP A 77 33.450 -0.709 9.415 1.00 54.01 O ATOM 0 H ASP A 77 35.409 2.025 9.897 1.00 65.44 H new ATOM 0 HA ASP A 77 34.557 1.795 12.725 1.00 70.42 H new ATOM 0 HB2 ASP A 77 33.047 -0.032 11.779 1.00 32.30 H new ATOM 0 HB3 ASP A 77 32.609 1.616 11.373 1.00 32.30 H new ATOM 1155 N GLU A 78 36.560 0.259 12.891 1.00 54.25 N ATOM 1156 CA GLU A 78 37.530 -0.798 13.150 1.00 3.52 C ATOM 1157 C GLU A 78 38.446 -0.421 14.311 1.00 23.53 C ATOM 1158 O GLU A 78 38.432 0.715 14.787 1.00 71.45 O ATOM 1159 CB GLU A 78 38.364 -1.074 11.897 1.00 0.23 C ATOM 1160 CG GLU A 78 38.766 0.183 11.144 1.00 11.22 C ATOM 1161 CD GLU A 78 39.483 -0.120 9.843 1.00 74.42 C ATOM 1162 OE1 GLU A 78 40.446 -0.915 9.868 1.00 0.22 O ATOM 1163 OE2 GLU A 78 39.081 0.436 8.800 1.00 73.03 O ATOM 0 H GLU A 78 36.634 1.062 13.516 1.00 54.25 H new ATOM 0 HA GLU A 78 36.983 -1.701 13.419 1.00 3.52 H new ATOM 0 HB2 GLU A 78 39.263 -1.620 12.182 1.00 0.23 H new ATOM 0 HB3 GLU A 78 37.797 -1.722 11.229 1.00 0.23 H new ATOM 0 HG2 GLU A 78 37.876 0.776 10.934 1.00 11.22 H new ATOM 0 HG3 GLU A 78 39.412 0.790 11.778 1.00 11.22 H new ATOM 1170 N THR A 79 39.243 -1.384 14.765 1.00 61.43 N ATOM 1171 CA THR A 79 40.165 -1.156 15.871 1.00 75.44 C ATOM 1172 C THR A 79 41.612 -1.182 15.394 1.00 23.22 C ATOM 1173 O THR A 79 42.512 -1.587 16.131 1.00 43.52 O ATOM 1174 CB THR A 79 39.982 -2.209 16.980 1.00 62.51 C ATOM 1175 OG1 THR A 79 40.711 -1.820 18.149 1.00 21.44 O ATOM 1176 CG2 THR A 79 40.457 -3.577 16.512 1.00 42.44 C ATOM 0 H THR A 79 39.268 -2.330 14.383 1.00 61.43 H new ATOM 0 HA THR A 79 39.937 -0.170 16.276 1.00 75.44 H new ATOM 0 HB THR A 79 38.920 -2.273 17.218 1.00 62.51 H new ATOM 0 HG1 THR A 79 41.610 -1.526 17.891 1.00 21.44 H new ATOM 0 HG21 THR A 79 40.318 -4.304 17.312 1.00 42.44 H new ATOM 0 HG22 THR A 79 39.880 -3.883 15.639 1.00 42.44 H new ATOM 0 HG23 THR A 79 41.514 -3.525 16.249 1.00 42.44 H new ATOM 1184 N LYS A 80 41.831 -0.748 14.158 1.00 42.42 N ATOM 1185 CA LYS A 80 43.171 -0.719 13.582 1.00 13.45 C ATOM 1186 C LYS A 80 43.562 0.702 13.187 1.00 62.42 C ATOM 1187 O LYS A 80 44.576 1.229 13.646 1.00 30.43 O ATOM 1188 CB LYS A 80 43.244 -1.638 12.361 1.00 34.03 C ATOM 1189 CG LYS A 80 43.066 -3.109 12.696 1.00 52.11 C ATOM 1190 CD LYS A 80 44.053 -3.562 13.758 1.00 30.34 C ATOM 1191 CE LYS A 80 43.964 -5.062 13.998 1.00 1.32 C ATOM 1192 NZ LYS A 80 45.179 -5.774 13.513 1.00 14.11 N ATOM 0 H LYS A 80 41.097 -0.411 13.535 1.00 42.42 H new ATOM 0 HA LYS A 80 43.872 -1.074 14.337 1.00 13.45 H new ATOM 0 HB2 LYS A 80 42.476 -1.341 11.647 1.00 34.03 H new ATOM 0 HB3 LYS A 80 44.207 -1.500 11.870 1.00 34.03 H new ATOM 0 HG2 LYS A 80 42.048 -3.283 13.046 1.00 52.11 H new ATOM 0 HG3 LYS A 80 43.200 -3.707 11.795 1.00 52.11 H new ATOM 0 HD2 LYS A 80 45.066 -3.301 13.450 1.00 30.34 H new ATOM 0 HD3 LYS A 80 43.856 -3.031 14.689 1.00 30.34 H new ATOM 0 HE2 LYS A 80 43.832 -5.252 15.063 1.00 1.32 H new ATOM 0 HE3 LYS A 80 43.084 -5.459 13.492 1.00 1.32 H new ATOM 0 HZ1 LYS A 80 45.080 -6.793 13.695 1.00 14.11 H new ATOM 0 HZ2 LYS A 80 45.291 -5.614 12.492 1.00 14.11 H new ATOM 0 HZ3 LYS A 80 46.016 -5.413 14.014 1.00 14.11 H new ATOM 1206 N THR A 81 42.751 1.318 12.332 1.00 24.03 N ATOM 1207 CA THR A 81 43.013 2.677 11.875 1.00 32.13 C ATOM 1208 C THR A 81 43.047 3.653 13.045 1.00 10.44 C ATOM 1209 O THR A 81 44.049 4.322 13.298 1.00 43.42 O ATOM 1210 CB THR A 81 41.950 3.143 10.863 1.00 52.51 C ATOM 1211 OG1 THR A 81 41.004 2.094 10.627 1.00 45.25 O ATOM 1212 CG2 THR A 81 42.597 3.555 9.549 1.00 23.03 C ATOM 0 H THR A 81 41.908 0.897 11.942 1.00 24.03 H new ATOM 0 HA THR A 81 43.988 2.665 11.387 1.00 32.13 H new ATOM 0 HB THR A 81 41.435 4.007 11.283 1.00 52.51 H new ATOM 0 HG1 THR A 81 40.894 1.964 9.662 1.00 45.25 H new ATOM 0 HG21 THR A 81 41.826 3.880 8.850 1.00 23.03 H new ATOM 0 HG22 THR A 81 43.294 4.374 9.728 1.00 23.03 H new ATOM 0 HG23 THR A 81 43.135 2.706 9.127 1.00 23.03 H new ATOM 1220 N PRO A 82 41.927 3.739 13.779 1.00 62.13 N ATOM 1221 CA PRO A 82 41.805 4.631 14.936 1.00 72.42 C ATOM 1222 C PRO A 82 42.658 4.173 16.114 1.00 61.55 C ATOM 1223 O PRO A 82 42.963 4.956 17.012 1.00 11.00 O ATOM 1224 CB PRO A 82 40.318 4.550 15.290 1.00 53.43 C ATOM 1225 CG PRO A 82 39.876 3.226 14.770 1.00 33.15 C ATOM 1226 CD PRO A 82 40.694 2.971 13.535 1.00 5.03 C ATOM 0 HA PRO A 82 42.150 5.640 14.711 1.00 72.42 H new ATOM 0 HB2 PRO A 82 40.163 4.624 16.366 1.00 53.43 H new ATOM 0 HB3 PRO A 82 39.757 5.363 14.830 1.00 53.43 H new ATOM 0 HG2 PRO A 82 40.035 2.443 15.511 1.00 33.15 H new ATOM 0 HG3 PRO A 82 38.811 3.234 14.538 1.00 33.15 H new ATOM 0 HD2 PRO A 82 40.901 1.909 13.402 1.00 5.03 H new ATOM 0 HD3 PRO A 82 40.180 3.310 12.635 1.00 5.03 H new ATOM 1234 N GLU A 83 43.041 2.899 16.102 1.00 54.43 N ATOM 1235 CA GLU A 83 43.859 2.338 17.170 1.00 11.32 C ATOM 1236 C GLU A 83 45.303 2.820 17.060 1.00 14.21 C ATOM 1237 O GLU A 83 45.878 3.314 18.029 1.00 10.02 O ATOM 1238 CB GLU A 83 43.815 0.809 17.127 1.00 3.40 C ATOM 1239 CG GLU A 83 45.164 0.155 17.373 1.00 22.22 C ATOM 1240 CD GLU A 83 45.057 -1.344 17.579 1.00 14.44 C ATOM 1241 OE1 GLU A 83 45.018 -2.080 16.572 1.00 24.41 O ATOM 1242 OE2 GLU A 83 45.011 -1.779 18.749 1.00 32.01 O ATOM 0 H GLU A 83 42.798 2.237 15.365 1.00 54.43 H new ATOM 0 HA GLU A 83 43.452 2.679 18.122 1.00 11.32 H new ATOM 0 HB2 GLU A 83 43.106 0.453 17.875 1.00 3.40 H new ATOM 0 HB3 GLU A 83 43.439 0.492 16.154 1.00 3.40 H new ATOM 0 HG2 GLU A 83 45.821 0.356 16.526 1.00 22.22 H new ATOM 0 HG3 GLU A 83 45.628 0.606 18.250 1.00 22.22 H new ATOM 1249 N GLU A 84 45.881 2.672 15.872 1.00 31.23 N ATOM 1250 CA GLU A 84 47.258 3.090 15.636 1.00 14.41 C ATOM 1251 C GLU A 84 47.344 4.604 15.464 1.00 50.20 C ATOM 1252 O GLU A 84 48.396 5.207 15.684 1.00 72.54 O ATOM 1253 CB GLU A 84 47.821 2.392 14.397 1.00 52.25 C ATOM 1254 CG GLU A 84 47.388 3.032 13.088 1.00 33.11 C ATOM 1255 CD GLU A 84 47.325 2.037 11.945 1.00 4.41 C ATOM 1256 OE1 GLU A 84 48.322 1.317 11.730 1.00 62.23 O ATOM 1257 OE2 GLU A 84 46.279 1.980 11.266 1.00 33.11 O ATOM 0 H GLU A 84 45.418 2.266 15.059 1.00 31.23 H new ATOM 0 HA GLU A 84 47.852 2.806 16.505 1.00 14.41 H new ATOM 0 HB2 GLU A 84 48.910 2.396 14.451 1.00 52.25 H new ATOM 0 HB3 GLU A 84 47.506 1.349 14.403 1.00 52.25 H new ATOM 0 HG2 GLU A 84 46.408 3.492 13.219 1.00 33.11 H new ATOM 0 HG3 GLU A 84 48.083 3.831 12.831 1.00 33.11 H new ATOM 1264 N LEU A 85 46.231 5.213 15.069 1.00 3.12 N ATOM 1265 CA LEU A 85 46.180 6.657 14.866 1.00 32.15 C ATOM 1266 C LEU A 85 45.966 7.385 16.190 1.00 50.25 C ATOM 1267 O LEU A 85 46.474 8.487 16.392 1.00 12.23 O ATOM 1268 CB LEU A 85 45.060 7.015 13.888 1.00 62.35 C ATOM 1269 CG LEU A 85 44.921 8.497 13.540 1.00 40.23 C ATOM 1270 CD1 LEU A 85 45.231 8.732 12.070 1.00 61.04 C ATOM 1271 CD2 LEU A 85 43.524 8.995 13.878 1.00 15.41 C ATOM 0 H LEU A 85 45.352 4.730 14.883 1.00 3.12 H new ATOM 0 HA LEU A 85 47.135 6.975 14.447 1.00 32.15 H new ATOM 0 HB2 LEU A 85 45.220 6.459 12.964 1.00 62.35 H new ATOM 0 HB3 LEU A 85 44.115 6.671 14.308 1.00 62.35 H new ATOM 0 HG LEU A 85 45.640 9.059 14.136 1.00 40.23 H new ATOM 0 HD11 LEU A 85 45.127 9.793 11.841 1.00 61.04 H new ATOM 0 HD12 LEU A 85 46.252 8.414 11.858 1.00 61.04 H new ATOM 0 HD13 LEU A 85 44.537 8.158 11.456 1.00 61.04 H new ATOM 0 HD21 LEU A 85 43.443 10.052 13.624 1.00 15.41 H new ATOM 0 HD22 LEU A 85 42.788 8.427 13.309 1.00 15.41 H new ATOM 0 HD23 LEU A 85 43.339 8.863 14.944 1.00 15.41 H new ATOM 1283 N GLY A 86 45.212 6.760 17.089 1.00 72.25 N ATOM 1284 CA GLY A 86 44.946 7.362 18.382 1.00 51.23 C ATOM 1285 C GLY A 86 46.202 7.525 19.215 1.00 52.34 C ATOM 1286 O GLY A 86 46.469 8.605 19.741 1.00 22.24 O ATOM 0 H GLY A 86 44.781 5.847 16.945 1.00 72.25 H new ATOM 0 HA2 GLY A 86 44.481 8.337 18.237 1.00 51.23 H new ATOM 0 HA3 GLY A 86 44.230 6.746 18.926 1.00 51.23 H new ATOM 1290 N MET A 87 46.974 6.450 19.335 1.00 14.14 N ATOM 1291 CA MET A 87 48.208 6.479 20.111 1.00 2.31 C ATOM 1292 C MET A 87 47.934 6.890 21.554 1.00 11.42 C ATOM 1293 O MET A 87 48.824 7.380 22.249 1.00 70.51 O ATOM 1294 CB MET A 87 49.212 7.443 19.476 1.00 41.31 C ATOM 1295 CG MET A 87 49.641 7.038 18.075 1.00 21.11 C ATOM 1296 SD MET A 87 51.426 6.828 17.929 1.00 71.52 S ATOM 1297 CE MET A 87 51.511 5.332 16.946 1.00 2.34 C ATOM 0 H MET A 87 46.767 5.549 18.905 1.00 14.14 H new ATOM 0 HA MET A 87 48.630 5.474 20.112 1.00 2.31 H new ATOM 0 HB2 MET A 87 48.772 8.440 19.439 1.00 41.31 H new ATOM 0 HB3 MET A 87 50.094 7.507 20.113 1.00 41.31 H new ATOM 0 HG2 MET A 87 49.146 6.106 17.803 1.00 21.11 H new ATOM 0 HG3 MET A 87 49.309 7.795 17.364 1.00 21.11 H new ATOM 0 HE1 MET A 87 52.555 5.071 16.770 1.00 2.34 H new ATOM 0 HE2 MET A 87 51.018 4.518 17.478 1.00 2.34 H new ATOM 0 HE3 MET A 87 51.012 5.495 15.991 1.00 2.34 H new ATOM 1307 N GLU A 88 46.697 6.689 21.998 1.00 71.35 N ATOM 1308 CA GLU A 88 46.307 7.040 23.358 1.00 50.21 C ATOM 1309 C GLU A 88 45.157 6.160 23.839 1.00 24.41 C ATOM 1310 O GLU A 88 44.639 5.333 23.089 1.00 73.42 O ATOM 1311 CB GLU A 88 45.900 8.514 23.431 1.00 25.51 C ATOM 1312 CG GLU A 88 46.253 9.177 24.752 1.00 53.22 C ATOM 1313 CD GLU A 88 46.812 10.575 24.571 1.00 12.23 C ATOM 1314 OE1 GLU A 88 46.115 11.419 23.969 1.00 62.22 O ATOM 1315 OE2 GLU A 88 47.945 10.826 25.032 1.00 61.43 O ATOM 0 H GLU A 88 45.948 6.285 21.435 1.00 71.35 H new ATOM 0 HA GLU A 88 47.166 6.874 24.009 1.00 50.21 H new ATOM 0 HB2 GLU A 88 46.385 9.057 22.620 1.00 25.51 H new ATOM 0 HB3 GLU A 88 44.825 8.594 23.269 1.00 25.51 H new ATOM 0 HG2 GLU A 88 45.363 9.224 25.380 1.00 53.22 H new ATOM 0 HG3 GLU A 88 46.983 8.563 25.279 1.00 53.22 H new ATOM 1322 N ASP A 89 44.765 6.343 25.095 1.00 42.11 N ATOM 1323 CA ASP A 89 43.677 5.566 25.677 1.00 11.53 C ATOM 1324 C ASP A 89 42.395 6.391 25.743 1.00 3.32 C ATOM 1325 O ASP A 89 41.483 6.080 26.509 1.00 24.54 O ATOM 1326 CB ASP A 89 44.059 5.083 27.077 1.00 63.30 C ATOM 1327 CG ASP A 89 44.765 6.153 27.887 1.00 63.44 C ATOM 1328 OD1 ASP A 89 46.003 6.271 27.763 1.00 55.12 O ATOM 1329 OD2 ASP A 89 44.080 6.872 28.643 1.00 25.12 O ATOM 0 H ASP A 89 45.184 7.023 25.730 1.00 42.11 H new ATOM 0 HA ASP A 89 43.499 4.701 25.038 1.00 11.53 H new ATOM 0 HB2 ASP A 89 43.161 4.765 27.606 1.00 63.30 H new ATOM 0 HB3 ASP A 89 44.706 4.210 26.993 1.00 63.30 H new ATOM 1334 N ASP A 90 42.334 7.445 24.936 1.00 31.24 N ATOM 1335 CA ASP A 90 41.164 8.315 24.903 1.00 61.02 C ATOM 1336 C ASP A 90 40.553 8.350 23.506 1.00 72.14 C ATOM 1337 O ASP A 90 40.179 9.412 23.007 1.00 32.23 O ATOM 1338 CB ASP A 90 41.542 9.730 25.343 1.00 11.12 C ATOM 1339 CG ASP A 90 41.807 9.821 26.833 1.00 12.42 C ATOM 1340 OD1 ASP A 90 42.943 9.519 27.254 1.00 62.32 O ATOM 1341 OD2 ASP A 90 40.878 10.196 27.579 1.00 51.44 O ATOM 0 H ASP A 90 43.081 7.717 24.296 1.00 31.24 H new ATOM 0 HA ASP A 90 40.423 7.913 25.594 1.00 61.02 H new ATOM 0 HB2 ASP A 90 42.430 10.052 24.799 1.00 11.12 H new ATOM 0 HB3 ASP A 90 40.739 10.417 25.077 1.00 11.12 H new ATOM 1346 N ASP A 91 40.455 7.183 22.879 1.00 64.22 N ATOM 1347 CA ASP A 91 39.890 7.079 21.539 1.00 55.43 C ATOM 1348 C ASP A 91 38.378 7.281 21.570 1.00 33.43 C ATOM 1349 O ASP A 91 37.652 6.514 22.203 1.00 32.41 O ATOM 1350 CB ASP A 91 40.223 5.719 20.925 1.00 72.22 C ATOM 1351 CG ASP A 91 39.273 5.340 19.805 1.00 10.54 C ATOM 1352 OD1 ASP A 91 38.890 6.236 19.025 1.00 52.52 O ATOM 1353 OD2 ASP A 91 38.912 4.148 19.710 1.00 1.54 O ATOM 0 H ASP A 91 40.760 6.295 23.278 1.00 64.22 H new ATOM 0 HA ASP A 91 40.331 7.863 20.924 1.00 55.43 H new ATOM 0 HB2 ASP A 91 41.243 5.737 20.542 1.00 72.22 H new ATOM 0 HB3 ASP A 91 40.188 4.955 21.701 1.00 72.22 H new ATOM 1358 N VAL A 92 37.909 8.318 20.884 1.00 43.12 N ATOM 1359 CA VAL A 92 36.484 8.621 20.833 1.00 31.40 C ATOM 1360 C VAL A 92 35.903 8.299 19.461 1.00 54.52 C ATOM 1361 O VAL A 92 36.610 8.329 18.453 1.00 23.35 O ATOM 1362 CB VAL A 92 36.212 10.101 21.160 1.00 43.01 C ATOM 1363 CG1 VAL A 92 37.002 10.531 22.387 1.00 61.32 C ATOM 1364 CG2 VAL A 92 36.548 10.980 19.965 1.00 51.33 C ATOM 0 H VAL A 92 38.496 8.963 20.355 1.00 43.12 H new ATOM 0 HA VAL A 92 36.001 7.997 21.585 1.00 31.40 H new ATOM 0 HB VAL A 92 35.151 10.217 21.382 1.00 43.01 H new ATOM 0 HG11 VAL A 92 36.797 11.580 22.603 1.00 61.32 H new ATOM 0 HG12 VAL A 92 36.708 9.921 23.241 1.00 61.32 H new ATOM 0 HG13 VAL A 92 38.068 10.401 22.198 1.00 61.32 H new ATOM 0 HG21 VAL A 92 36.350 12.023 20.213 1.00 51.33 H new ATOM 0 HG22 VAL A 92 37.601 10.861 19.711 1.00 51.33 H new ATOM 0 HG23 VAL A 92 35.934 10.687 19.114 1.00 51.33 H new ATOM 1374 N ILE A 93 34.610 7.994 19.429 1.00 71.22 N ATOM 1375 CA ILE A 93 33.933 7.669 18.179 1.00 30.25 C ATOM 1376 C ILE A 93 32.469 8.095 18.220 1.00 24.13 C ATOM 1377 O ILE A 93 31.698 7.623 19.056 1.00 10.40 O ATOM 1378 CB ILE A 93 34.009 6.161 17.874 1.00 53.32 C ATOM 1379 CG1 ILE A 93 33.631 5.348 19.113 1.00 25.35 C ATOM 1380 CG2 ILE A 93 35.403 5.788 17.393 1.00 72.15 C ATOM 1381 CD1 ILE A 93 32.565 4.307 18.852 1.00 64.12 C ATOM 0 H ILE A 93 34.010 7.965 20.254 1.00 71.22 H new ATOM 0 HA ILE A 93 34.447 8.218 17.389 1.00 30.25 H new ATOM 0 HB ILE A 93 33.298 5.929 17.081 1.00 53.32 H new ATOM 0 HG12 ILE A 93 34.523 4.854 19.499 1.00 25.35 H new ATOM 0 HG13 ILE A 93 33.281 6.027 19.890 1.00 25.35 H new ATOM 0 HG21 ILE A 93 35.441 4.719 17.182 1.00 72.15 H new ATOM 0 HG22 ILE A 93 35.636 6.346 16.486 1.00 72.15 H new ATOM 0 HG23 ILE A 93 36.132 6.031 18.166 1.00 72.15 H new ATOM 0 HD11 ILE A 93 32.348 3.769 19.775 1.00 64.12 H new ATOM 0 HD12 ILE A 93 31.659 4.796 18.495 1.00 64.12 H new ATOM 0 HD13 ILE A 93 32.919 3.604 18.098 1.00 64.12 H new ATOM 1393 N ASP A 94 32.093 8.988 17.312 1.00 65.15 N ATOM 1394 CA ASP A 94 30.721 9.476 17.241 1.00 1.02 C ATOM 1395 C ASP A 94 29.936 8.736 16.163 1.00 52.02 C ATOM 1396 O ASP A 94 30.283 8.787 14.983 1.00 13.22 O ATOM 1397 CB ASP A 94 30.706 10.979 16.960 1.00 54.32 C ATOM 1398 CG ASP A 94 31.931 11.684 17.509 1.00 73.32 C ATOM 1399 OD1 ASP A 94 33.016 11.542 16.907 1.00 2.41 O ATOM 1400 OD2 ASP A 94 31.804 12.377 18.540 1.00 70.25 O ATOM 0 H ASP A 94 32.720 9.389 16.614 1.00 65.15 H new ATOM 0 HA ASP A 94 30.245 9.290 18.204 1.00 1.02 H new ATOM 0 HB2 ASP A 94 30.648 11.144 15.884 1.00 54.32 H new ATOM 0 HB3 ASP A 94 29.810 11.419 17.399 1.00 54.32 H new ATOM 1405 N ALA A 95 28.877 8.048 16.576 1.00 32.33 N ATOM 1406 CA ALA A 95 28.042 7.298 15.646 1.00 40.11 C ATOM 1407 C ALA A 95 26.872 8.144 15.154 1.00 64.21 C ATOM 1408 O ALA A 95 25.926 8.402 15.896 1.00 14.14 O ATOM 1409 CB ALA A 95 27.534 6.023 16.302 1.00 24.42 C ATOM 0 H ALA A 95 28.577 7.994 17.549 1.00 32.33 H new ATOM 0 HA ALA A 95 28.652 7.031 14.783 1.00 40.11 H new ATOM 0 HB1 ALA A 95 26.912 5.473 15.596 1.00 24.42 H new ATOM 0 HB2 ALA A 95 28.381 5.404 16.598 1.00 24.42 H new ATOM 0 HB3 ALA A 95 26.945 6.277 17.183 1.00 24.42 H new ATOM 1415 N MET A 96 26.945 8.573 13.898 1.00 23.41 N ATOM 1416 CA MET A 96 25.891 9.389 13.307 1.00 2.35 C ATOM 1417 C MET A 96 25.090 8.587 12.287 1.00 15.42 C ATOM 1418 O MET A 96 25.593 7.628 11.703 1.00 71.21 O ATOM 1419 CB MET A 96 26.490 10.630 12.642 1.00 62.32 C ATOM 1420 CG MET A 96 26.077 11.934 13.304 1.00 1.11 C ATOM 1421 SD MET A 96 26.653 13.384 12.401 1.00 55.54 S ATOM 1422 CE MET A 96 25.109 14.003 11.734 1.00 21.25 C ATOM 0 H MET A 96 27.723 8.369 13.270 1.00 23.41 H new ATOM 0 HA MET A 96 25.218 9.703 14.105 1.00 2.35 H new ATOM 0 HB2 MET A 96 27.577 10.552 12.659 1.00 62.32 H new ATOM 0 HB3 MET A 96 26.188 10.652 11.595 1.00 62.32 H new ATOM 0 HG2 MET A 96 24.990 11.968 13.384 1.00 1.11 H new ATOM 0 HG3 MET A 96 26.472 11.963 14.319 1.00 1.11 H new ATOM 0 HE1 MET A 96 25.300 14.902 11.148 1.00 21.25 H new ATOM 0 HE2 MET A 96 24.658 13.243 11.096 1.00 21.25 H new ATOM 0 HE3 MET A 96 24.429 14.241 12.552 1.00 21.25 H new ATOM 1432 N VAL A 97 23.839 8.987 12.078 1.00 61.34 N ATOM 1433 CA VAL A 97 22.968 8.306 11.127 1.00 21.42 C ATOM 1434 C VAL A 97 23.029 8.967 9.755 1.00 72.42 C ATOM 1435 O VAL A 97 22.730 10.152 9.613 1.00 62.23 O ATOM 1436 CB VAL A 97 21.507 8.293 11.614 1.00 20.44 C ATOM 1437 CG1 VAL A 97 20.616 7.573 10.613 1.00 24.11 C ATOM 1438 CG2 VAL A 97 21.410 7.646 12.988 1.00 14.20 C ATOM 0 H VAL A 97 23.407 9.779 12.554 1.00 61.34 H new ATOM 0 HA VAL A 97 23.326 7.280 11.049 1.00 21.42 H new ATOM 0 HB VAL A 97 21.161 9.323 11.697 1.00 20.44 H new ATOM 0 HG11 VAL A 97 19.588 7.574 10.975 1.00 24.11 H new ATOM 0 HG12 VAL A 97 20.663 8.083 9.651 1.00 24.11 H new ATOM 0 HG13 VAL A 97 20.958 6.545 10.495 1.00 24.11 H new ATOM 0 HG21 VAL A 97 20.371 7.645 13.317 1.00 14.20 H new ATOM 0 HG22 VAL A 97 21.774 6.620 12.934 1.00 14.20 H new ATOM 0 HG23 VAL A 97 22.015 8.209 13.699 1.00 14.20 H new ATOM 1448 N GLU A 98 23.417 8.191 8.747 1.00 1.31 N ATOM 1449 CA GLU A 98 23.517 8.703 7.385 1.00 21.23 C ATOM 1450 C GLU A 98 23.271 7.592 6.368 1.00 44.53 C ATOM 1451 O GLU A 98 23.914 6.544 6.411 1.00 21.15 O ATOM 1452 CB GLU A 98 24.894 9.328 7.151 1.00 12.35 C ATOM 1453 CG GLU A 98 24.837 10.796 6.762 1.00 24.11 C ATOM 1454 CD GLU A 98 26.187 11.337 6.331 1.00 55.41 C ATOM 1455 OE1 GLU A 98 27.193 11.024 7.001 1.00 33.41 O ATOM 1456 OE2 GLU A 98 26.236 12.075 5.324 1.00 25.54 O ATOM 0 H GLU A 98 23.667 7.207 8.848 1.00 1.31 H new ATOM 0 HA GLU A 98 22.752 9.468 7.254 1.00 21.23 H new ATOM 0 HB2 GLU A 98 25.490 9.224 8.058 1.00 12.35 H new ATOM 0 HB3 GLU A 98 25.408 8.772 6.366 1.00 12.35 H new ATOM 0 HG2 GLU A 98 24.122 10.926 5.950 1.00 24.11 H new ATOM 0 HG3 GLU A 98 24.469 11.378 7.607 1.00 24.11 H new ATOM 1463 N GLN A 99 22.337 7.832 5.454 1.00 74.23 N ATOM 1464 CA GLN A 99 22.005 6.852 4.426 1.00 31.11 C ATOM 1465 C GLN A 99 21.555 5.536 5.053 1.00 2.53 C ATOM 1466 O GLN A 99 22.377 4.683 5.390 1.00 40.12 O ATOM 1467 CB GLN A 99 23.209 6.610 3.514 1.00 1.42 C ATOM 1468 CG GLN A 99 23.856 7.890 3.009 1.00 73.04 C ATOM 1469 CD GLN A 99 22.883 8.778 2.257 1.00 65.52 C ATOM 1470 OE1 GLN A 99 22.459 8.453 1.147 1.00 30.15 O ATOM 1471 NE2 GLN A 99 22.525 9.906 2.858 1.00 32.23 N ATOM 0 H GLN A 99 21.797 8.696 5.404 1.00 74.23 H new ATOM 0 HA GLN A 99 21.182 7.251 3.832 1.00 31.11 H new ATOM 0 HB2 GLN A 99 23.953 6.026 4.055 1.00 1.42 H new ATOM 0 HB3 GLN A 99 22.893 6.011 2.660 1.00 1.42 H new ATOM 0 HG2 GLN A 99 24.268 8.442 3.854 1.00 73.04 H new ATOM 0 HG3 GLN A 99 24.691 7.637 2.356 1.00 73.04 H new ATOM 0 HE21 GLN A 99 22.901 10.135 3.778 1.00 32.23 H new ATOM 0 HE22 GLN A 99 21.874 10.543 2.400 1.00 32.23 H new ATOM 1480 N THR A 100 20.244 5.378 5.209 1.00 44.13 N ATOM 1481 CA THR A 100 19.685 4.168 5.797 1.00 61.41 C ATOM 1482 C THR A 100 19.053 3.280 4.731 1.00 23.30 C ATOM 1483 O THR A 100 18.327 3.758 3.861 1.00 44.42 O ATOM 1484 CB THR A 100 18.627 4.500 6.866 1.00 72.53 C ATOM 1485 OG1 THR A 100 19.179 5.390 7.842 1.00 30.30 O ATOM 1486 CG2 THR A 100 18.132 3.234 7.549 1.00 70.52 C ATOM 0 H THR A 100 19.550 6.074 4.936 1.00 44.13 H new ATOM 0 HA THR A 100 20.511 3.634 6.267 1.00 61.41 H new ATOM 0 HB THR A 100 17.783 4.981 6.373 1.00 72.53 H new ATOM 0 HG1 THR A 100 19.668 4.874 8.516 1.00 30.30 H new ATOM 0 HG21 THR A 100 17.386 3.494 8.300 1.00 70.52 H new ATOM 0 HG22 THR A 100 17.686 2.571 6.808 1.00 70.52 H new ATOM 0 HG23 THR A 100 18.970 2.729 8.030 1.00 70.52 H new ATOM 1494 N GLY A 101 19.334 1.982 4.806 1.00 50.04 N ATOM 1495 CA GLY A 101 18.784 1.048 3.841 1.00 62.40 C ATOM 1496 C GLY A 101 19.223 -0.380 4.101 1.00 3.31 C ATOM 1497 O GLY A 101 20.289 -0.615 4.670 1.00 73.04 O ATOM 0 H GLY A 101 19.932 1.561 5.517 1.00 50.04 H new ATOM 0 HA2 GLY A 101 17.696 1.101 3.868 1.00 62.40 H new ATOM 0 HA3 GLY A 101 19.092 1.343 2.838 1.00 62.40 H new ATOM 1501 N GLY A 102 18.399 -1.336 3.685 1.00 32.41 N ATOM 1502 CA GLY A 102 18.725 -2.736 3.887 1.00 74.00 C ATOM 1503 C GLY A 102 17.531 -3.646 3.674 1.00 11.31 C ATOM 1504 O GLY A 102 16.849 -4.019 4.628 1.00 15.22 O ATOM 0 H GLY A 102 17.511 -1.167 3.212 1.00 32.41 H new ATOM 0 HA2 GLY A 102 19.523 -3.023 3.202 1.00 74.00 H new ATOM 0 HA3 GLY A 102 19.108 -2.875 4.898 1.00 74.00 H new TER 1508 GLY A 102