USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 80 LYS NZ :NH3+ -173:sc= 0.0136 (180deg=-0.13) USER MOD Set 1.2: A 85 SER OG : rot -120:sc= 0.0149 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.189 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 157:sc= 1.2 (180deg=0.481) USER MOD Single : A 9 SER OG : rot 180:sc=-0.00903 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00545 USER MOD Single : A 13 LYS NZ :NH3+ -131:sc= 1.24 (180deg=-0.207) USER MOD Single : A 16 CYS SG : rot 72:sc= 0.369 USER MOD Single : A 19 TYR OH : rot -151:sc= 0.269 USER MOD Single : A 35 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.24) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.05 K(o=-1,f=-0.077) USER MOD Single : A 66 SER OG : rot 84:sc= 1.18 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 69 THR OG1 : rot 163:sc= 1.41 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 61:sc= 1.22 USER MOD Single : A 86 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= -0.585 (180deg=-0.723) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.383 7.157 -5.263 1.00 12.50 N ATOM 2 CA GLY A 1 8.244 6.205 -6.002 1.00 25.32 C ATOM 3 C GLY A 1 8.372 6.595 -7.447 1.00 54.14 C ATOM 4 O GLY A 1 7.836 7.626 -7.820 1.00 23.13 O ATOM 0 H1 GLY A 1 7.913 7.554 -4.461 1.00 12.50 H new ATOM 0 H2 GLY A 1 7.090 7.926 -5.899 1.00 12.50 H new ATOM 0 H3 GLY A 1 6.540 6.661 -4.909 1.00 12.50 H new ATOM 0 HA2 GLY A 1 9.232 6.173 -5.543 1.00 25.32 H new ATOM 0 HA3 GLY A 1 7.826 5.201 -5.930 1.00 25.32 H new ATOM 8 N ALA A 2 9.050 5.795 -8.260 1.00 24.03 N ATOM 9 CA ALA A 2 9.155 6.082 -9.687 1.00 51.21 C ATOM 10 C ALA A 2 7.766 5.909 -10.310 1.00 53.24 C ATOM 11 O ALA A 2 6.970 5.096 -9.840 1.00 54.31 O ATOM 12 CB ALA A 2 10.166 5.131 -10.347 1.00 55.43 C ATOM 0 H ALA A 2 9.533 4.948 -7.960 1.00 24.03 H new ATOM 0 HA ALA A 2 9.507 7.102 -9.843 1.00 51.21 H new ATOM 0 HB1 ALA A 2 10.235 5.355 -11.411 1.00 55.43 H new ATOM 0 HB2 ALA A 2 11.144 5.262 -9.884 1.00 55.43 H new ATOM 0 HB3 ALA A 2 9.837 4.101 -10.214 1.00 55.43 H new ATOM 18 N MET A 3 7.483 6.672 -11.355 1.00 32.42 N ATOM 19 CA MET A 3 6.195 6.585 -12.036 1.00 60.44 C ATOM 20 C MET A 3 6.200 5.376 -12.972 1.00 13.33 C ATOM 21 O MET A 3 7.175 5.140 -13.683 1.00 33.11 O ATOM 22 CB MET A 3 5.941 7.871 -12.831 1.00 21.14 C ATOM 23 CG MET A 3 4.562 7.949 -13.470 1.00 73.25 C ATOM 24 SD MET A 3 3.239 7.863 -12.242 1.00 40.15 S ATOM 25 CE MET A 3 1.798 7.839 -13.315 1.00 44.13 C ATOM 0 H MET A 3 8.125 7.358 -11.751 1.00 32.42 H new ATOM 0 HA MET A 3 5.399 6.466 -11.301 1.00 60.44 H new ATOM 0 HB2 MET A 3 6.070 8.726 -12.168 1.00 21.14 H new ATOM 0 HB3 MET A 3 6.696 7.957 -13.612 1.00 21.14 H new ATOM 0 HG2 MET A 3 4.475 8.879 -14.032 1.00 73.25 H new ATOM 0 HG3 MET A 3 4.447 7.134 -14.184 1.00 73.25 H new ATOM 0 HE1 MET A 3 0.894 7.787 -12.709 1.00 44.13 H new ATOM 0 HE2 MET A 3 1.779 8.747 -13.918 1.00 44.13 H new ATOM 0 HE3 MET A 3 1.846 6.969 -13.970 1.00 44.13 H new ATOM 35 N ALA A 4 5.120 4.609 -12.961 1.00 2.54 N ATOM 36 CA ALA A 4 4.995 3.455 -13.842 1.00 54.51 C ATOM 37 C ALA A 4 4.606 3.946 -15.242 1.00 2.11 C ATOM 38 O ALA A 4 3.906 4.948 -15.379 1.00 20.45 O ATOM 39 CB ALA A 4 3.930 2.493 -13.297 1.00 14.40 C ATOM 0 H ALA A 4 4.317 4.764 -12.352 1.00 2.54 H new ATOM 0 HA ALA A 4 5.944 2.921 -13.894 1.00 54.51 H new ATOM 0 HB1 ALA A 4 3.842 1.633 -13.961 1.00 14.40 H new ATOM 0 HB2 ALA A 4 4.220 2.155 -12.302 1.00 14.40 H new ATOM 0 HB3 ALA A 4 2.970 3.007 -13.240 1.00 14.40 H new ATOM 45 N LYS A 5 5.034 3.226 -16.270 1.00 73.53 N ATOM 46 CA LYS A 5 4.675 3.573 -17.648 1.00 52.04 C ATOM 47 C LYS A 5 3.161 3.420 -17.823 1.00 3.55 C ATOM 48 O LYS A 5 2.564 2.484 -17.296 1.00 32.55 O ATOM 49 CB LYS A 5 5.397 2.651 -18.646 1.00 43.31 C ATOM 50 CG LYS A 5 5.219 3.078 -20.113 1.00 21.53 C ATOM 51 CD LYS A 5 5.687 2.016 -21.092 1.00 14.43 C ATOM 52 CE LYS A 5 5.260 2.406 -22.507 1.00 75.44 C ATOM 53 NZ LYS A 5 5.614 1.365 -23.523 1.00 60.33 N ATOM 0 H LYS A 5 5.628 2.401 -16.182 1.00 73.53 H new ATOM 0 HA LYS A 5 4.977 4.602 -17.843 1.00 52.04 H new ATOM 0 HB2 LYS A 5 6.460 2.632 -18.408 1.00 43.31 H new ATOM 0 HB3 LYS A 5 5.025 1.634 -18.524 1.00 43.31 H new ATOM 0 HG2 LYS A 5 4.168 3.299 -20.298 1.00 21.53 H new ATOM 0 HG3 LYS A 5 5.774 3.999 -20.289 1.00 21.53 H new ATOM 0 HD2 LYS A 5 6.771 1.913 -21.043 1.00 14.43 H new ATOM 0 HD3 LYS A 5 5.262 1.048 -20.826 1.00 14.43 H new ATOM 0 HE2 LYS A 5 4.183 2.574 -22.524 1.00 75.44 H new ATOM 0 HE3 LYS A 5 5.734 3.349 -22.778 1.00 75.44 H new ATOM 0 HZ1 LYS A 5 4.995 1.465 -24.353 1.00 60.33 H new ATOM 0 HZ2 LYS A 5 6.605 1.487 -23.814 1.00 60.33 H new ATOM 0 HZ3 LYS A 5 5.488 0.419 -23.109 1.00 60.33 H new ATOM 67 N ALA A 6 2.567 4.315 -18.597 1.00 62.12 N ATOM 68 CA ALA A 6 1.155 4.223 -18.946 1.00 2.14 C ATOM 69 C ALA A 6 0.892 2.907 -19.712 1.00 20.42 C ATOM 70 O ALA A 6 1.797 2.373 -20.368 1.00 34.32 O ATOM 71 CB ALA A 6 0.773 5.427 -19.792 1.00 73.12 C ATOM 0 H ALA A 6 3.045 5.121 -18.999 1.00 62.12 H new ATOM 0 HA ALA A 6 0.546 4.219 -18.042 1.00 2.14 H new ATOM 0 HB1 ALA A 6 -0.282 5.365 -20.057 1.00 73.12 H new ATOM 0 HB2 ALA A 6 0.952 6.341 -19.226 1.00 73.12 H new ATOM 0 HB3 ALA A 6 1.375 5.439 -20.700 1.00 73.12 H new ATOM 77 N PRO A 7 -0.338 2.361 -19.619 1.00 54.50 N ATOM 78 CA PRO A 7 -0.576 1.059 -20.255 1.00 61.31 C ATOM 79 C PRO A 7 -0.573 1.054 -21.781 1.00 44.14 C ATOM 80 O PRO A 7 -0.953 2.020 -22.436 1.00 51.55 O ATOM 81 CB PRO A 7 -1.962 0.674 -19.728 1.00 52.34 C ATOM 82 CG PRO A 7 -2.632 1.972 -19.498 1.00 22.23 C ATOM 83 CD PRO A 7 -1.546 2.835 -18.917 1.00 2.14 C ATOM 0 HA PRO A 7 0.232 0.369 -20.012 1.00 61.31 H new ATOM 0 HB2 PRO A 7 -2.508 0.065 -20.449 1.00 52.34 H new ATOM 0 HB3 PRO A 7 -1.892 0.093 -18.809 1.00 52.34 H new ATOM 0 HG2 PRO A 7 -3.023 2.391 -20.425 1.00 22.23 H new ATOM 0 HG3 PRO A 7 -3.474 1.872 -18.813 1.00 22.23 H new ATOM 0 HD2 PRO A 7 -1.730 3.894 -19.100 1.00 2.14 H new ATOM 0 HD3 PRO A 7 -1.462 2.707 -17.838 1.00 2.14 H new ATOM 91 N GLU A 8 -0.115 -0.063 -22.328 1.00 64.23 N ATOM 92 CA GLU A 8 -0.161 -0.326 -23.763 1.00 32.12 C ATOM 93 C GLU A 8 -1.352 -1.236 -24.077 1.00 3.21 C ATOM 94 O GLU A 8 -1.331 -2.411 -23.719 1.00 70.34 O ATOM 95 CB GLU A 8 1.128 -1.024 -24.205 1.00 45.02 C ATOM 96 CG GLU A 8 2.377 -0.144 -24.135 1.00 64.00 C ATOM 97 CD GLU A 8 2.486 0.842 -25.295 1.00 71.11 C ATOM 98 OE1 GLU A 8 1.626 0.831 -26.204 1.00 63.40 O ATOM 99 OE2 GLU A 8 3.500 1.574 -25.333 1.00 11.54 O ATOM 0 H GLU A 8 0.303 -0.819 -21.786 1.00 64.23 H new ATOM 0 HA GLU A 8 -0.265 0.620 -24.295 1.00 32.12 H new ATOM 0 HB2 GLU A 8 1.283 -1.904 -23.581 1.00 45.02 H new ATOM 0 HB3 GLU A 8 1.003 -1.377 -25.229 1.00 45.02 H new ATOM 0 HG2 GLU A 8 2.371 0.409 -23.196 1.00 64.00 H new ATOM 0 HG3 GLU A 8 3.262 -0.781 -24.124 1.00 64.00 H new ATOM 106 N SER A 9 -2.355 -0.731 -24.775 1.00 31.11 N ATOM 107 CA SER A 9 -3.476 -1.566 -25.217 1.00 15.20 C ATOM 108 C SER A 9 -3.981 -1.001 -26.536 1.00 35.24 C ATOM 109 O SER A 9 -3.554 0.074 -26.950 1.00 72.35 O ATOM 110 CB SER A 9 -4.591 -1.604 -24.169 1.00 53.05 C ATOM 111 OG SER A 9 -5.588 -2.559 -24.515 1.00 24.10 O ATOM 0 H SER A 9 -2.423 0.249 -25.051 1.00 31.11 H new ATOM 0 HA SER A 9 -3.144 -2.595 -25.351 1.00 15.20 H new ATOM 0 HB2 SER A 9 -4.170 -1.850 -23.194 1.00 53.05 H new ATOM 0 HB3 SER A 9 -5.044 -0.617 -24.080 1.00 53.05 H new ATOM 0 HG SER A 9 -6.288 -2.565 -23.829 1.00 24.10 H new ATOM 117 N ALA A 10 -4.843 -1.741 -27.221 1.00 62.14 N ATOM 118 CA ALA A 10 -5.297 -1.354 -28.553 1.00 72.22 C ATOM 119 C ALA A 10 -5.971 0.019 -28.575 1.00 75.21 C ATOM 120 O ALA A 10 -5.706 0.827 -29.459 1.00 41.23 O ATOM 121 CB ALA A 10 -6.251 -2.423 -29.105 1.00 12.23 C ATOM 0 H ALA A 10 -5.243 -2.614 -26.877 1.00 62.14 H new ATOM 0 HA ALA A 10 -4.413 -1.279 -29.187 1.00 72.22 H new ATOM 0 HB1 ALA A 10 -6.588 -2.131 -30.100 1.00 12.23 H new ATOM 0 HB2 ALA A 10 -5.731 -3.379 -29.164 1.00 12.23 H new ATOM 0 HB3 ALA A 10 -7.112 -2.519 -28.444 1.00 12.23 H new ATOM 127 N THR A 11 -6.836 0.284 -27.604 1.00 40.11 N ATOM 128 CA THR A 11 -7.579 1.547 -27.559 1.00 61.20 C ATOM 129 C THR A 11 -6.620 2.729 -27.472 1.00 13.13 C ATOM 130 O THR A 11 -6.762 3.711 -28.184 1.00 44.34 O ATOM 131 CB THR A 11 -8.526 1.575 -26.353 1.00 74.42 C ATOM 132 OG1 THR A 11 -9.184 0.297 -26.256 1.00 52.14 O ATOM 133 CG2 THR A 11 -9.587 2.645 -26.500 1.00 31.02 C ATOM 0 H THR A 11 -7.043 -0.355 -26.836 1.00 40.11 H new ATOM 0 HA THR A 11 -8.164 1.624 -28.476 1.00 61.20 H new ATOM 0 HB THR A 11 -7.937 1.792 -25.462 1.00 74.42 H new ATOM 0 HG1 THR A 11 -9.792 0.300 -25.487 1.00 52.14 H new ATOM 0 HG21 THR A 11 -10.239 2.634 -25.626 1.00 31.02 H new ATOM 0 HG22 THR A 11 -9.110 3.621 -26.584 1.00 31.02 H new ATOM 0 HG23 THR A 11 -10.178 2.451 -27.395 1.00 31.02 H new ATOM 141 N GLU A 12 -5.623 2.602 -26.608 1.00 70.12 N ATOM 142 CA GLU A 12 -4.627 3.641 -26.411 1.00 62.44 C ATOM 143 C GLU A 12 -3.911 3.963 -27.710 1.00 55.41 C ATOM 144 O GLU A 12 -3.664 5.121 -28.005 1.00 62.31 O ATOM 145 CB GLU A 12 -3.592 3.203 -25.362 1.00 13.22 C ATOM 146 CG GLU A 12 -4.108 3.209 -23.927 1.00 31.20 C ATOM 147 CD GLU A 12 -4.768 1.902 -23.502 1.00 1.23 C ATOM 148 OE1 GLU A 12 -5.828 1.543 -24.062 1.00 31.22 O ATOM 149 OE2 GLU A 12 -4.238 1.242 -22.588 1.00 1.42 O ATOM 0 H GLU A 12 -5.483 1.776 -26.025 1.00 70.12 H new ATOM 0 HA GLU A 12 -5.147 4.533 -26.061 1.00 62.44 H new ATOM 0 HB2 GLU A 12 -3.247 2.198 -25.607 1.00 13.22 H new ATOM 0 HB3 GLU A 12 -2.726 3.862 -25.427 1.00 13.22 H new ATOM 0 HG2 GLU A 12 -3.277 3.421 -23.254 1.00 31.20 H new ATOM 0 HG3 GLU A 12 -4.826 4.021 -23.813 1.00 31.20 H new ATOM 156 N LYS A 13 -3.602 2.950 -28.503 1.00 74.00 N ATOM 157 CA LYS A 13 -2.887 3.159 -29.768 1.00 71.23 C ATOM 158 C LYS A 13 -3.740 3.890 -30.793 1.00 1.01 C ATOM 159 O LYS A 13 -3.230 4.716 -31.546 1.00 22.51 O ATOM 160 CB LYS A 13 -2.434 1.817 -30.341 1.00 35.54 C ATOM 161 CG LYS A 13 -1.461 1.108 -29.426 1.00 34.13 C ATOM 162 CD LYS A 13 -1.112 -0.277 -29.946 1.00 15.44 C ATOM 163 CE LYS A 13 -0.276 -1.050 -28.925 1.00 25.20 C ATOM 164 NZ LYS A 13 1.029 -0.368 -28.624 1.00 54.21 N ATOM 0 H LYS A 13 -3.830 1.976 -28.302 1.00 74.00 H new ATOM 0 HA LYS A 13 -2.019 3.782 -29.552 1.00 71.23 H new ATOM 0 HB2 LYS A 13 -3.304 1.182 -30.507 1.00 35.54 H new ATOM 0 HB3 LYS A 13 -1.967 1.977 -31.313 1.00 35.54 H new ATOM 0 HG2 LYS A 13 -0.552 1.701 -29.331 1.00 34.13 H new ATOM 0 HG3 LYS A 13 -1.893 1.025 -28.429 1.00 34.13 H new ATOM 0 HD2 LYS A 13 -2.026 -0.828 -30.165 1.00 15.44 H new ATOM 0 HD3 LYS A 13 -0.560 -0.190 -30.882 1.00 15.44 H new ATOM 0 HE2 LYS A 13 -0.846 -1.163 -28.003 1.00 25.20 H new ATOM 0 HE3 LYS A 13 -0.080 -2.053 -29.304 1.00 25.20 H new ATOM 0 HZ1 LYS A 13 1.805 -1.057 -28.693 1.00 54.21 H new ATOM 0 HZ2 LYS A 13 1.186 0.399 -29.309 1.00 54.21 H new ATOM 0 HZ3 LYS A 13 1.001 0.027 -27.662 1.00 54.21 H new ATOM 178 N VAL A 14 -5.033 3.614 -30.805 1.00 13.51 N ATOM 179 CA VAL A 14 -5.945 4.289 -31.738 1.00 22.33 C ATOM 180 C VAL A 14 -6.017 5.754 -31.342 1.00 10.21 C ATOM 181 O VAL A 14 -5.898 6.644 -32.174 1.00 74.41 O ATOM 182 CB VAL A 14 -7.375 3.670 -31.710 1.00 61.13 C ATOM 183 CG1 VAL A 14 -8.335 4.473 -32.586 1.00 15.11 C ATOM 184 CG2 VAL A 14 -7.339 2.216 -32.193 1.00 61.54 C ATOM 0 H VAL A 14 -5.480 2.935 -30.189 1.00 13.51 H new ATOM 0 HA VAL A 14 -5.563 4.170 -32.752 1.00 22.33 H new ATOM 0 HB VAL A 14 -7.730 3.699 -30.680 1.00 61.13 H new ATOM 0 HG11 VAL A 14 -9.326 4.020 -32.549 1.00 15.11 H new ATOM 0 HG12 VAL A 14 -8.390 5.498 -32.220 1.00 15.11 H new ATOM 0 HG13 VAL A 14 -7.974 4.474 -33.615 1.00 15.11 H new ATOM 0 HG21 VAL A 14 -8.346 1.799 -32.167 1.00 61.54 H new ATOM 0 HG22 VAL A 14 -6.958 2.181 -33.214 1.00 61.54 H new ATOM 0 HG23 VAL A 14 -6.688 1.632 -31.542 1.00 61.54 H new ATOM 194 N LEU A 15 -6.158 6.001 -30.047 1.00 44.32 N ATOM 195 CA LEU A 15 -6.234 7.357 -29.517 1.00 73.13 C ATOM 196 C LEU A 15 -4.939 8.122 -29.743 1.00 65.01 C ATOM 197 O LEU A 15 -4.965 9.298 -30.063 1.00 71.30 O ATOM 198 CB LEU A 15 -6.523 7.302 -28.034 1.00 63.14 C ATOM 199 CG LEU A 15 -7.907 6.769 -27.659 1.00 21.44 C ATOM 200 CD1 LEU A 15 -7.812 6.338 -26.222 1.00 15.14 C ATOM 201 CD2 LEU A 15 -9.006 7.812 -27.848 1.00 1.13 C ATOM 0 H LEU A 15 -6.223 5.272 -29.337 1.00 44.32 H new ATOM 0 HA LEU A 15 -7.034 7.878 -30.043 1.00 73.13 H new ATOM 0 HB2 LEU A 15 -5.769 6.677 -27.556 1.00 63.14 H new ATOM 0 HB3 LEU A 15 -6.414 8.305 -27.621 1.00 63.14 H new ATOM 0 HG LEU A 15 -8.183 5.941 -28.312 1.00 21.44 H new ATOM 0 HD11 LEU A 15 -8.775 5.946 -25.895 1.00 15.14 H new ATOM 0 HD12 LEU A 15 -7.053 5.562 -26.124 1.00 15.14 H new ATOM 0 HD13 LEU A 15 -7.539 7.193 -25.603 1.00 15.14 H new ATOM 0 HD21 LEU A 15 -9.968 7.382 -27.568 1.00 1.13 H new ATOM 0 HD22 LEU A 15 -8.798 8.678 -27.219 1.00 1.13 H new ATOM 0 HD23 LEU A 15 -9.038 8.122 -28.893 1.00 1.13 H new ATOM 213 N CYS A 16 -3.805 7.448 -29.613 1.00 5.01 N ATOM 214 CA CYS A 16 -2.515 8.062 -29.924 1.00 12.14 C ATOM 215 C CYS A 16 -2.475 8.547 -31.374 1.00 70.21 C ATOM 216 O CYS A 16 -2.079 9.673 -31.643 1.00 33.14 O ATOM 217 CB CYS A 16 -1.385 7.054 -29.713 1.00 63.32 C ATOM 218 SG CYS A 16 -1.029 6.646 -27.992 1.00 3.03 S ATOM 0 H CYS A 16 -3.748 6.480 -29.296 1.00 5.01 H new ATOM 0 HA CYS A 16 -2.384 8.914 -29.256 1.00 12.14 H new ATOM 0 HB2 CYS A 16 -1.636 6.135 -30.243 1.00 63.32 H new ATOM 0 HB3 CYS A 16 -0.478 7.448 -30.171 1.00 63.32 H new ATOM 0 HG CYS A 16 -1.992 5.917 -27.511 1.00 3.03 H new ATOM 224 N ALA A 17 -2.905 7.719 -32.314 1.00 54.44 N ATOM 225 CA ALA A 17 -2.894 8.121 -33.723 1.00 0.22 C ATOM 226 C ALA A 17 -3.931 9.231 -33.963 1.00 53.15 C ATOM 227 O ALA A 17 -3.712 10.146 -34.736 1.00 71.43 O ATOM 228 CB ALA A 17 -3.186 6.914 -34.617 1.00 51.01 C ATOM 0 H ALA A 17 -3.261 6.780 -32.138 1.00 54.44 H new ATOM 0 HA ALA A 17 -1.906 8.507 -33.974 1.00 0.22 H new ATOM 0 HB1 ALA A 17 -3.175 7.224 -35.662 1.00 51.01 H new ATOM 0 HB2 ALA A 17 -2.425 6.150 -34.457 1.00 51.01 H new ATOM 0 HB3 ALA A 17 -4.166 6.506 -34.369 1.00 51.01 H new ATOM 234 N LEU A 18 -5.025 9.175 -33.242 1.00 13.44 N ATOM 235 CA LEU A 18 -6.049 10.214 -33.325 1.00 73.35 C ATOM 236 C LEU A 18 -5.505 11.556 -32.816 1.00 60.32 C ATOM 237 O LEU A 18 -5.800 12.585 -33.409 1.00 1.40 O ATOM 238 CB LEU A 18 -7.254 9.797 -32.534 1.00 1.42 C ATOM 239 CG LEU A 18 -8.530 9.626 -33.346 1.00 53.53 C ATOM 240 CD1 LEU A 18 -8.355 8.693 -34.549 1.00 71.40 C ATOM 241 CD2 LEU A 18 -9.580 9.076 -32.401 1.00 61.14 C ATOM 0 H LEU A 18 -5.238 8.423 -32.587 1.00 13.44 H new ATOM 0 HA LEU A 18 -6.336 10.345 -34.368 1.00 73.35 H new ATOM 0 HB2 LEU A 18 -7.032 8.855 -32.032 1.00 1.42 H new ATOM 0 HB3 LEU A 18 -7.433 10.539 -31.756 1.00 1.42 H new ATOM 0 HG LEU A 18 -8.822 10.590 -33.763 1.00 53.53 H new ATOM 0 HD11 LEU A 18 -9.299 8.612 -35.087 1.00 71.40 H new ATOM 0 HD12 LEU A 18 -7.592 9.096 -35.214 1.00 71.40 H new ATOM 0 HD13 LEU A 18 -8.049 7.706 -34.202 1.00 71.40 H new ATOM 0 HD21 LEU A 18 -10.517 8.936 -32.940 1.00 61.14 H new ATOM 0 HD22 LEU A 18 -9.245 8.119 -32.002 1.00 61.14 H new ATOM 0 HD23 LEU A 18 -9.735 9.777 -31.581 1.00 61.14 H new ATOM 253 N TYR A 19 -4.681 11.559 -31.777 1.00 40.05 N ATOM 254 CA TYR A 19 -4.045 12.770 -31.312 1.00 13.20 C ATOM 255 C TYR A 19 -3.191 13.304 -32.468 1.00 72.10 C ATOM 256 O TYR A 19 -3.223 14.506 -32.757 1.00 4.45 O ATOM 257 CB TYR A 19 -3.139 12.499 -30.101 1.00 45.44 C ATOM 258 CG TYR A 19 -3.771 12.603 -28.725 1.00 33.23 C ATOM 259 CD1 TYR A 19 -5.053 12.069 -28.462 1.00 73.35 C ATOM 260 CD2 TYR A 19 -3.062 13.180 -27.647 1.00 2.25 C ATOM 261 CE1 TYR A 19 -5.628 12.151 -27.156 1.00 42.44 C ATOM 262 CE2 TYR A 19 -3.632 13.265 -26.373 1.00 63.04 C ATOM 263 CZ TYR A 19 -4.918 12.763 -26.135 1.00 41.42 C ATOM 264 OH TYR A 19 -5.439 12.850 -24.871 1.00 1.33 O ATOM 0 H TYR A 19 -4.440 10.726 -31.241 1.00 40.05 H new ATOM 0 HA TYR A 19 -4.805 13.487 -31.002 1.00 13.20 H new ATOM 0 HB2 TYR A 19 -2.724 11.497 -30.207 1.00 45.44 H new ATOM 0 HB3 TYR A 19 -2.302 13.197 -30.142 1.00 45.44 H new ATOM 0 HD1 TYR A 19 -5.605 11.593 -29.258 1.00 73.35 H new ATOM 0 HD2 TYR A 19 -2.065 13.561 -27.810 1.00 2.25 H new ATOM 0 HE1 TYR A 19 -6.608 11.739 -26.966 1.00 42.44 H new ATOM 0 HE2 TYR A 19 -3.077 13.721 -25.567 1.00 63.04 H new ATOM 0 HH TYR A 19 -5.085 13.648 -24.425 1.00 1.33 H new ATOM 274 N ALA A 20 -2.444 12.419 -33.125 1.00 0.44 N ATOM 275 CA ALA A 20 -1.539 12.858 -34.162 1.00 2.52 C ATOM 276 C ALA A 20 -2.211 13.545 -35.346 1.00 4.23 C ATOM 277 O ALA A 20 -1.744 14.573 -35.836 1.00 41.12 O ATOM 278 CB ALA A 20 -0.787 11.594 -34.730 1.00 11.34 C ATOM 0 H ALA A 20 -2.452 11.413 -32.956 1.00 0.44 H new ATOM 0 HA ALA A 20 -0.880 13.589 -33.694 1.00 2.52 H new ATOM 0 HB1 ALA A 20 -0.098 11.903 -35.516 1.00 11.34 H new ATOM 0 HB2 ALA A 20 -0.230 11.111 -33.927 1.00 11.34 H new ATOM 0 HB3 ALA A 20 -1.513 10.892 -35.140 1.00 11.34 H new ATOM 284 N GLU A 21 -3.397 13.067 -35.716 1.00 72.43 N ATOM 285 CA GLU A 21 -4.142 13.598 -36.872 1.00 71.02 C ATOM 286 C GLU A 21 -4.681 15.005 -36.546 1.00 64.21 C ATOM 287 O GLU A 21 -4.799 15.859 -37.428 1.00 43.42 O ATOM 288 CB GLU A 21 -5.344 12.690 -37.154 1.00 23.25 C ATOM 289 CG GLU A 21 -4.997 11.388 -37.865 1.00 61.30 C ATOM 290 CD GLU A 21 -4.990 11.552 -39.374 1.00 52.34 C ATOM 291 OE1 GLU A 21 -3.980 12.037 -39.915 1.00 15.24 O ATOM 292 OE2 GLU A 21 -6.032 11.272 -40.015 1.00 13.34 O ATOM 0 H GLU A 21 -3.872 12.306 -35.231 1.00 72.43 H new ATOM 0 HA GLU A 21 -3.475 13.640 -37.733 1.00 71.02 H new ATOM 0 HB2 GLU A 21 -5.835 12.454 -36.210 1.00 23.25 H new ATOM 0 HB3 GLU A 21 -6.065 13.239 -37.760 1.00 23.25 H new ATOM 0 HG2 GLU A 21 -4.018 11.043 -37.533 1.00 61.30 H new ATOM 0 HG3 GLU A 21 -5.718 10.619 -37.587 1.00 61.30 H new ATOM 299 N ILE A 22 -5.017 15.211 -35.277 1.00 20.13 N ATOM 300 CA ILE A 22 -5.599 16.411 -34.823 1.00 11.34 C ATOM 301 C ILE A 22 -4.577 17.503 -34.488 1.00 40.50 C ATOM 302 O ILE A 22 -4.780 18.684 -34.749 1.00 45.53 O ATOM 303 CB ILE A 22 -6.428 16.062 -33.550 1.00 43.34 C ATOM 304 CG1 ILE A 22 -7.631 15.176 -33.917 1.00 71.42 C ATOM 305 CG2 ILE A 22 -6.969 17.383 -32.811 1.00 13.23 C ATOM 306 CD1 ILE A 22 -8.658 15.766 -34.833 1.00 54.42 C ATOM 0 H ILE A 22 -4.878 14.517 -34.542 1.00 20.13 H new ATOM 0 HA ILE A 22 -6.215 16.819 -35.624 1.00 11.34 H new ATOM 0 HB ILE A 22 -5.761 15.528 -32.873 1.00 43.34 H new ATOM 0 HG12 ILE A 22 -7.251 14.264 -34.377 1.00 71.42 H new ATOM 0 HG13 ILE A 22 -8.130 14.883 -32.993 1.00 71.42 H new ATOM 0 HG21 ILE A 22 -7.542 17.098 -31.929 1.00 13.23 H new ATOM 0 HG22 ILE A 22 -6.125 18.003 -32.510 1.00 13.23 H new ATOM 0 HG23 ILE A 22 -7.608 17.945 -33.492 1.00 13.23 H new ATOM 0 HD11 ILE A 22 -9.450 15.038 -35.009 1.00 54.42 H new ATOM 0 HD12 ILE A 22 -9.083 16.660 -34.376 1.00 54.42 H new ATOM 0 HD13 ILE A 22 -8.191 16.031 -35.781 1.00 54.42 H new ATOM 318 N LEU A 23 -3.458 17.077 -33.935 1.00 15.10 N ATOM 319 CA LEU A 23 -2.384 17.955 -33.487 1.00 41.31 C ATOM 320 C LEU A 23 -1.374 18.245 -34.609 1.00 42.22 C ATOM 321 O LEU A 23 -0.610 19.196 -34.529 1.00 21.31 O ATOM 322 CB LEU A 23 -1.676 17.332 -32.276 1.00 40.34 C ATOM 323 CG LEU A 23 -2.575 17.112 -31.051 1.00 43.03 C ATOM 324 CD1 LEU A 23 -1.905 16.140 -30.072 1.00 54.43 C ATOM 325 CD2 LEU A 23 -2.895 18.445 -30.375 1.00 54.05 C ATOM 0 H LEU A 23 -3.262 16.088 -33.779 1.00 15.10 H new ATOM 0 HA LEU A 23 -2.828 18.908 -33.198 1.00 41.31 H new ATOM 0 HB2 LEU A 23 -1.250 16.374 -32.574 1.00 40.34 H new ATOM 0 HB3 LEU A 23 -0.844 17.975 -31.988 1.00 40.34 H new ATOM 0 HG LEU A 23 -3.516 16.670 -31.378 1.00 43.03 H new ATOM 0 HD11 LEU A 23 -2.551 15.991 -29.207 1.00 54.43 H new ATOM 0 HD12 LEU A 23 -1.736 15.184 -30.567 1.00 54.43 H new ATOM 0 HD13 LEU A 23 -0.951 16.553 -29.745 1.00 54.43 H new ATOM 0 HD21 LEU A 23 -3.533 18.270 -29.509 1.00 54.05 H new ATOM 0 HD22 LEU A 23 -1.969 18.921 -30.053 1.00 54.05 H new ATOM 0 HD23 LEU A 23 -3.412 19.096 -31.080 1.00 54.05 H new ATOM 337 N GLY A 24 -1.373 17.422 -35.647 1.00 23.25 N ATOM 338 CA GLY A 24 -0.480 17.637 -36.779 1.00 34.34 C ATOM 339 C GLY A 24 0.952 17.238 -36.490 1.00 74.22 C ATOM 340 O GLY A 24 1.885 17.854 -36.992 1.00 54.41 O ATOM 0 H GLY A 24 -1.976 16.604 -35.730 1.00 23.25 H new ATOM 0 HA2 GLY A 24 -0.844 17.068 -37.634 1.00 34.34 H new ATOM 0 HA3 GLY A 24 -0.508 18.689 -37.061 1.00 34.34 H new ATOM 344 N VAL A 25 1.135 16.217 -35.668 1.00 70.32 N ATOM 345 CA VAL A 25 2.478 15.764 -35.281 1.00 71.44 C ATOM 346 C VAL A 25 2.732 14.345 -35.800 1.00 33.23 C ATOM 347 O VAL A 25 1.799 13.595 -36.035 1.00 73.54 O ATOM 348 CB VAL A 25 2.681 15.820 -33.735 1.00 52.24 C ATOM 349 CG1 VAL A 25 2.571 17.275 -33.240 1.00 52.14 C ATOM 350 CG2 VAL A 25 1.650 14.943 -33.000 1.00 52.00 C ATOM 0 H VAL A 25 0.374 15.680 -35.251 1.00 70.32 H new ATOM 0 HA VAL A 25 3.200 16.443 -35.735 1.00 71.44 H new ATOM 0 HB VAL A 25 3.676 15.433 -33.515 1.00 52.24 H new ATOM 0 HG11 VAL A 25 2.714 17.304 -32.160 1.00 52.14 H new ATOM 0 HG12 VAL A 25 3.336 17.883 -33.724 1.00 52.14 H new ATOM 0 HG13 VAL A 25 1.585 17.669 -33.486 1.00 52.14 H new ATOM 0 HG21 VAL A 25 1.820 15.005 -31.925 1.00 52.00 H new ATOM 0 HG22 VAL A 25 0.644 15.295 -33.229 1.00 52.00 H new ATOM 0 HG23 VAL A 25 1.755 13.908 -33.325 1.00 52.00 H new ATOM 360 N GLU A 26 3.999 14.003 -36.007 1.00 41.55 N ATOM 361 CA GLU A 26 4.364 12.708 -36.573 1.00 65.02 C ATOM 362 C GLU A 26 4.094 11.534 -35.669 1.00 11.41 C ATOM 363 O GLU A 26 3.770 10.427 -36.121 1.00 54.03 O ATOM 364 CB GLU A 26 5.860 12.662 -36.825 1.00 63.01 C ATOM 365 CG GLU A 26 6.420 13.622 -37.864 1.00 51.34 C ATOM 366 CD GLU A 26 7.873 13.344 -38.135 1.00 42.35 C ATOM 367 OE1 GLU A 26 8.476 12.556 -37.353 1.00 5.43 O ATOM 368 OE2 GLU A 26 8.431 13.893 -39.098 1.00 22.23 O ATOM 0 H GLU A 26 4.793 14.606 -35.791 1.00 41.55 H new ATOM 0 HA GLU A 26 3.755 12.623 -37.473 1.00 65.02 H new ATOM 0 HB2 GLU A 26 6.368 12.854 -35.880 1.00 63.01 H new ATOM 0 HB3 GLU A 26 6.121 11.648 -37.127 1.00 63.01 H new ATOM 0 HG2 GLU A 26 5.851 13.532 -38.790 1.00 51.34 H new ATOM 0 HG3 GLU A 26 6.302 14.648 -37.516 1.00 51.34 H new ATOM 375 N ARG A 27 4.269 11.743 -34.346 1.00 15.15 N ATOM 376 CA ARG A 27 4.177 10.649 -33.379 1.00 2.13 C ATOM 377 C ARG A 27 3.606 11.148 -32.092 1.00 65.41 C ATOM 378 O ARG A 27 3.695 12.329 -31.784 1.00 31.23 O ATOM 379 CB ARG A 27 5.540 9.960 -33.143 1.00 75.20 C ATOM 380 CG ARG A 27 6.597 10.722 -32.320 1.00 62.31 C ATOM 381 CD ARG A 27 7.210 11.955 -32.983 1.00 40.10 C ATOM 382 NE ARG A 27 7.981 11.664 -34.207 1.00 62.22 N ATOM 383 CZ ARG A 27 9.222 11.200 -34.251 1.00 12.42 C ATOM 384 NH1 ARG A 27 9.899 10.877 -33.171 1.00 15.33 N ATOM 385 NH2 ARG A 27 9.797 11.063 -35.400 1.00 12.44 N ATOM 0 H ARG A 27 4.473 12.654 -33.935 1.00 15.15 H new ATOM 0 HA ARG A 27 3.510 9.895 -33.798 1.00 2.13 H new ATOM 0 HB2 ARG A 27 5.352 9.007 -32.647 1.00 75.20 H new ATOM 0 HB3 ARG A 27 5.974 9.733 -34.117 1.00 75.20 H new ATOM 0 HG2 ARG A 27 6.141 11.030 -31.379 1.00 62.31 H new ATOM 0 HG3 ARG A 27 7.402 10.030 -32.073 1.00 62.31 H new ATOM 0 HD2 ARG A 27 6.412 12.656 -33.228 1.00 40.10 H new ATOM 0 HD3 ARG A 27 7.863 12.453 -32.266 1.00 40.10 H new ATOM 0 HE ARG A 27 7.517 11.835 -35.099 1.00 62.22 H new ATOM 0 HH11 ARG A 27 9.471 10.980 -32.251 1.00 15.33 H new ATOM 0 HH12 ARG A 27 10.852 10.524 -33.253 1.00 15.33 H new ATOM 0 HH21 ARG A 27 9.296 11.310 -36.254 1.00 12.44 H new ATOM 0 HH22 ARG A 27 10.752 10.707 -35.453 1.00 12.44 H new ATOM 399 N VAL A 28 3.060 10.225 -31.321 1.00 42.22 N ATOM 400 CA VAL A 28 2.461 10.541 -30.039 1.00 3.45 C ATOM 401 C VAL A 28 2.786 9.419 -29.034 1.00 2.25 C ATOM 402 O VAL A 28 2.727 8.237 -29.384 1.00 74.32 O ATOM 403 CB VAL A 28 0.909 10.637 -30.154 1.00 1.52 C ATOM 404 CG1 VAL A 28 0.271 11.158 -28.882 1.00 12.31 C ATOM 405 CG2 VAL A 28 0.533 11.561 -31.322 1.00 32.14 C ATOM 0 H VAL A 28 3.020 9.236 -31.567 1.00 42.22 H new ATOM 0 HA VAL A 28 2.863 11.499 -29.708 1.00 3.45 H new ATOM 0 HB VAL A 28 0.533 9.629 -30.328 1.00 1.52 H new ATOM 0 HG11 VAL A 28 -0.810 11.207 -29.011 1.00 12.31 H new ATOM 0 HG12 VAL A 28 0.508 10.488 -28.055 1.00 12.31 H new ATOM 0 HG13 VAL A 28 0.656 12.154 -28.663 1.00 12.31 H new ATOM 0 HG21 VAL A 28 -0.552 11.626 -31.400 1.00 32.14 H new ATOM 0 HG22 VAL A 28 0.944 12.555 -31.147 1.00 32.14 H new ATOM 0 HG23 VAL A 28 0.940 11.159 -32.250 1.00 32.14 H new ATOM 415 N GLY A 29 3.128 9.759 -27.798 1.00 60.01 N ATOM 416 CA GLY A 29 3.355 8.767 -26.762 1.00 40.52 C ATOM 417 C GLY A 29 2.063 8.340 -26.089 1.00 1.24 C ATOM 418 O GLY A 29 1.043 9.019 -26.202 1.00 13.04 O ATOM 0 H GLY A 29 3.254 10.723 -27.490 1.00 60.01 H new ATOM 0 HA2 GLY A 29 3.843 7.894 -27.197 1.00 40.52 H new ATOM 0 HA3 GLY A 29 4.036 9.173 -26.014 1.00 40.52 H new ATOM 422 N VAL A 30 2.083 7.231 -25.366 1.00 22.21 N ATOM 423 CA VAL A 30 0.869 6.767 -24.688 1.00 31.24 C ATOM 424 C VAL A 30 0.422 7.695 -23.580 1.00 22.14 C ATOM 425 O VAL A 30 -0.729 7.704 -23.206 1.00 13.23 O ATOM 426 CB VAL A 30 1.044 5.324 -24.096 1.00 41.35 C ATOM 427 CG1 VAL A 30 0.751 4.273 -25.158 1.00 12.44 C ATOM 428 CG2 VAL A 30 2.455 5.126 -23.505 1.00 34.55 C ATOM 0 H VAL A 30 2.905 6.642 -25.231 1.00 22.21 H new ATOM 0 HA VAL A 30 0.100 6.754 -25.460 1.00 31.24 H new ATOM 0 HB VAL A 30 0.327 5.206 -23.284 1.00 41.35 H new ATOM 0 HG11 VAL A 30 0.877 3.278 -24.730 1.00 12.44 H new ATOM 0 HG12 VAL A 30 -0.274 4.389 -25.511 1.00 12.44 H new ATOM 0 HG13 VAL A 30 1.439 4.398 -25.994 1.00 12.44 H new ATOM 0 HG21 VAL A 30 2.543 4.116 -23.103 1.00 34.55 H new ATOM 0 HG22 VAL A 30 3.201 5.272 -24.287 1.00 34.55 H new ATOM 0 HG23 VAL A 30 2.620 5.850 -22.707 1.00 34.55 H new ATOM 438 N ASP A 31 1.333 8.478 -23.056 1.00 4.41 N ATOM 439 CA ASP A 31 0.995 9.426 -21.990 1.00 62.32 C ATOM 440 C ASP A 31 1.222 10.863 -22.442 1.00 25.42 C ATOM 441 O ASP A 31 1.467 11.742 -21.635 1.00 33.44 O ATOM 442 CB ASP A 31 1.751 9.086 -20.694 1.00 61.33 C ATOM 443 CG ASP A 31 0.827 8.988 -19.470 1.00 10.51 C ATOM 444 OD1 ASP A 31 -0.420 9.069 -19.598 1.00 3.25 O ATOM 445 OD2 ASP A 31 1.363 8.705 -18.371 1.00 21.31 O ATOM 0 H ASP A 31 2.313 8.488 -23.339 1.00 4.41 H new ATOM 0 HA ASP A 31 -0.068 9.334 -21.769 1.00 62.32 H new ATOM 0 HB2 ASP A 31 2.276 8.139 -20.823 1.00 61.33 H new ATOM 0 HB3 ASP A 31 2.509 9.848 -20.511 1.00 61.33 H new ATOM 450 N ASP A 32 1.211 11.090 -23.755 1.00 40.24 N ATOM 451 CA ASP A 32 1.521 12.420 -24.281 1.00 32.22 C ATOM 452 C ASP A 32 0.408 13.392 -23.944 1.00 71.01 C ATOM 453 O ASP A 32 -0.776 13.080 -24.116 1.00 3.30 O ATOM 454 CB ASP A 32 1.676 12.380 -25.799 1.00 31.55 C ATOM 455 CG ASP A 32 2.947 13.031 -26.261 1.00 55.35 C ATOM 456 OD1 ASP A 32 3.349 14.053 -25.673 1.00 64.45 O ATOM 457 OD2 ASP A 32 3.585 12.475 -27.181 1.00 55.21 O ATOM 0 H ASP A 32 0.996 10.387 -24.462 1.00 40.24 H new ATOM 0 HA ASP A 32 2.456 12.745 -23.824 1.00 32.22 H new ATOM 0 HB2 ASP A 32 1.658 11.344 -26.136 1.00 31.55 H new ATOM 0 HB3 ASP A 32 0.825 12.880 -26.262 1.00 31.55 H new ATOM 462 N ALA A 33 0.760 14.562 -23.448 1.00 1.45 N ATOM 463 CA ALA A 33 -0.245 15.534 -23.073 1.00 15.21 C ATOM 464 C ALA A 33 -0.758 16.258 -24.322 1.00 60.31 C ATOM 465 O ALA A 33 0.010 16.870 -25.047 1.00 10.23 O ATOM 466 CB ALA A 33 0.349 16.544 -22.079 1.00 32.30 C ATOM 0 H ALA A 33 1.724 14.860 -23.297 1.00 1.45 H new ATOM 0 HA ALA A 33 -1.080 15.021 -22.595 1.00 15.21 H new ATOM 0 HB1 ALA A 33 -0.413 17.272 -21.801 1.00 32.30 H new ATOM 0 HB2 ALA A 33 0.691 16.019 -21.187 1.00 32.30 H new ATOM 0 HB3 ALA A 33 1.191 17.058 -22.542 1.00 32.30 H new ATOM 472 N PHE A 34 -2.061 16.203 -24.546 1.00 35.51 N ATOM 473 CA PHE A 34 -2.687 16.814 -25.723 1.00 32.52 C ATOM 474 C PHE A 34 -2.285 18.278 -25.899 1.00 53.53 C ATOM 475 O PHE A 34 -2.050 18.738 -27.009 1.00 13.32 O ATOM 476 CB PHE A 34 -4.219 16.712 -25.588 1.00 53.45 C ATOM 477 CG PHE A 34 -4.975 17.153 -26.818 1.00 13.03 C ATOM 478 CD1 PHE A 34 -5.121 16.284 -27.914 1.00 62.55 C ATOM 479 CD2 PHE A 34 -5.570 18.427 -26.876 1.00 34.53 C ATOM 480 CE1 PHE A 34 -5.844 16.678 -29.066 1.00 15.33 C ATOM 481 CE2 PHE A 34 -6.307 18.832 -28.019 1.00 14.34 C ATOM 482 CZ PHE A 34 -6.438 17.954 -29.117 1.00 12.34 C ATOM 0 H PHE A 34 -2.719 15.736 -23.922 1.00 35.51 H new ATOM 0 HA PHE A 34 -2.341 16.274 -26.604 1.00 32.52 H new ATOM 0 HB2 PHE A 34 -4.485 15.680 -25.361 1.00 53.45 H new ATOM 0 HB3 PHE A 34 -4.540 17.318 -24.740 1.00 53.45 H new ATOM 0 HD1 PHE A 34 -4.675 15.301 -27.876 1.00 62.55 H new ATOM 0 HD2 PHE A 34 -5.465 19.104 -26.041 1.00 34.53 H new ATOM 0 HE1 PHE A 34 -5.940 16.002 -29.903 1.00 15.33 H new ATOM 0 HE2 PHE A 34 -6.766 19.809 -28.049 1.00 14.34 H new ATOM 0 HZ PHE A 34 -6.992 18.260 -29.993 1.00 12.34 H new ATOM 492 N HIS A 35 -2.204 19.008 -24.798 1.00 71.32 N ATOM 493 CA HIS A 35 -1.891 20.433 -24.842 1.00 63.32 C ATOM 494 C HIS A 35 -0.406 20.761 -25.032 1.00 45.21 C ATOM 495 O HIS A 35 -0.075 21.897 -25.352 1.00 71.11 O ATOM 496 CB HIS A 35 -2.402 21.108 -23.566 1.00 32.20 C ATOM 497 CG HIS A 35 -1.896 20.480 -22.304 1.00 35.03 C ATOM 498 ND1 HIS A 35 -2.669 19.735 -21.448 1.00 14.21 N ATOM 499 CD2 HIS A 35 -0.660 20.504 -21.731 1.00 2.12 C ATOM 500 CE1 HIS A 35 -1.910 19.347 -20.430 1.00 12.54 C ATOM 501 NE2 HIS A 35 -0.674 19.783 -20.553 1.00 13.41 N ATOM 0 H HIS A 35 -2.351 18.638 -23.859 1.00 71.32 H new ATOM 0 HA HIS A 35 -2.395 20.818 -25.728 1.00 63.32 H new ATOM 0 HB2 HIS A 35 -2.110 22.158 -23.580 1.00 32.20 H new ATOM 0 HB3 HIS A 35 -3.492 21.080 -23.563 1.00 32.20 H new ATOM 0 HD2 HIS A 35 0.202 21.011 -22.138 1.00 2.12 H new ATOM 0 HE1 HIS A 35 -2.263 18.748 -19.604 1.00 12.54 H new ATOM 0 HE2 HIS A 35 0.106 19.623 -19.915 1.00 13.41 H new ATOM 509 N ASP A 36 0.486 19.794 -24.852 1.00 61.01 N ATOM 510 CA ASP A 36 1.926 20.061 -24.996 1.00 61.32 C ATOM 511 C ASP A 36 2.254 20.274 -26.467 1.00 5.53 C ATOM 512 O ASP A 36 3.050 21.133 -26.832 1.00 22.43 O ATOM 513 CB ASP A 36 2.746 18.894 -24.445 1.00 42.45 C ATOM 514 CG ASP A 36 4.219 19.236 -24.308 1.00 13.41 C ATOM 515 OD1 ASP A 36 4.575 19.888 -23.300 1.00 23.11 O ATOM 516 OD2 ASP A 36 5.018 18.838 -25.175 1.00 40.24 O ATOM 0 H ASP A 36 0.251 18.831 -24.610 1.00 61.01 H new ATOM 0 HA ASP A 36 2.179 20.958 -24.430 1.00 61.32 H new ATOM 0 HB2 ASP A 36 2.351 18.604 -23.471 1.00 42.45 H new ATOM 0 HB3 ASP A 36 2.635 18.033 -25.104 1.00 42.45 H new ATOM 521 N LEU A 37 1.540 19.548 -27.315 1.00 11.51 N ATOM 522 CA LEU A 37 1.669 19.667 -28.769 1.00 42.42 C ATOM 523 C LEU A 37 0.842 20.856 -29.293 1.00 50.15 C ATOM 524 O LEU A 37 0.489 20.914 -30.466 1.00 34.42 O ATOM 525 CB LEU A 37 1.192 18.368 -29.445 1.00 45.20 C ATOM 526 CG LEU A 37 1.941 17.027 -29.223 1.00 3.24 C ATOM 527 CD1 LEU A 37 3.462 17.216 -29.124 1.00 3.24 C ATOM 528 CD2 LEU A 37 1.453 16.263 -27.987 1.00 52.03 C ATOM 0 H LEU A 37 0.852 18.856 -27.018 1.00 11.51 H new ATOM 0 HA LEU A 37 2.718 19.838 -29.009 1.00 42.42 H new ATOM 0 HB2 LEU A 37 0.158 18.210 -29.138 1.00 45.20 H new ATOM 0 HB3 LEU A 37 1.181 18.553 -30.519 1.00 45.20 H new ATOM 0 HG LEU A 37 1.711 16.433 -30.108 1.00 3.24 H new ATOM 0 HD11 LEU A 37 3.940 16.249 -28.969 1.00 3.24 H new ATOM 0 HD12 LEU A 37 3.834 17.661 -30.047 1.00 3.24 H new ATOM 0 HD13 LEU A 37 3.693 17.873 -28.286 1.00 3.24 H new ATOM 0 HD21 LEU A 37 2.016 15.335 -27.887 1.00 52.03 H new ATOM 0 HD22 LEU A 37 1.603 16.876 -27.098 1.00 52.03 H new ATOM 0 HD23 LEU A 37 0.393 16.034 -28.096 1.00 52.03 H new ATOM 540 N GLY A 38 0.510 21.793 -28.412 1.00 3.11 N ATOM 541 CA GLY A 38 -0.262 22.966 -28.804 1.00 64.14 C ATOM 542 C GLY A 38 -1.757 22.713 -28.843 1.00 20.50 C ATOM 543 O GLY A 38 -2.538 23.545 -29.326 1.00 12.12 O ATOM 0 H GLY A 38 0.763 21.763 -27.424 1.00 3.11 H new ATOM 0 HA2 GLY A 38 -0.056 23.778 -28.107 1.00 64.14 H new ATOM 0 HA3 GLY A 38 0.069 23.299 -29.788 1.00 64.14 H new ATOM 547 N GLY A 39 -2.174 21.562 -28.337 1.00 33.30 N ATOM 548 CA GLY A 39 -3.583 21.216 -28.346 1.00 11.33 C ATOM 549 C GLY A 39 -4.429 22.196 -27.566 1.00 50.00 C ATOM 550 O GLY A 39 -4.111 22.585 -26.447 1.00 23.04 O ATOM 0 H GLY A 39 -1.563 20.860 -27.920 1.00 33.30 H new ATOM 0 HA2 GLY A 39 -3.937 21.177 -29.376 1.00 11.33 H new ATOM 0 HA3 GLY A 39 -3.711 20.218 -27.927 1.00 11.33 H new ATOM 554 N SER A 40 -5.522 22.608 -28.184 1.00 53.32 N ATOM 555 CA SER A 40 -6.413 23.609 -27.614 1.00 30.11 C ATOM 556 C SER A 40 -7.812 23.029 -27.486 1.00 54.23 C ATOM 557 O SER A 40 -8.123 22.013 -28.096 1.00 64.33 O ATOM 558 CB SER A 40 -6.434 24.837 -28.522 1.00 42.23 C ATOM 559 OG SER A 40 -5.150 25.434 -28.582 1.00 75.32 O ATOM 0 H SER A 40 -5.819 22.259 -29.095 1.00 53.32 H new ATOM 0 HA SER A 40 -6.059 23.900 -26.625 1.00 30.11 H new ATOM 0 HB2 SER A 40 -6.755 24.550 -29.523 1.00 42.23 H new ATOM 0 HB3 SER A 40 -7.160 25.559 -28.149 1.00 42.23 H new ATOM 0 HG SER A 40 -5.181 26.218 -29.169 1.00 75.32 H new ATOM 565 N SER A 41 -8.669 23.691 -26.720 1.00 42.33 N ATOM 566 CA SER A 41 -10.045 23.220 -26.507 1.00 62.44 C ATOM 567 C SER A 41 -10.801 23.027 -27.829 1.00 13.33 C ATOM 568 O SER A 41 -11.548 22.066 -27.991 1.00 23.14 O ATOM 569 CB SER A 41 -10.803 24.207 -25.613 1.00 42.21 C ATOM 570 OG SER A 41 -12.079 23.705 -25.266 1.00 24.00 O ATOM 0 H SER A 41 -8.442 24.558 -26.232 1.00 42.33 H new ATOM 0 HA SER A 41 -9.986 22.248 -26.017 1.00 62.44 H new ATOM 0 HB2 SER A 41 -10.226 24.399 -24.708 1.00 42.21 H new ATOM 0 HB3 SER A 41 -10.912 25.160 -26.130 1.00 42.21 H new ATOM 0 HG SER A 41 -12.541 24.353 -24.694 1.00 24.00 H new ATOM 576 N ALA A 42 -10.563 23.900 -28.801 1.00 12.32 N ATOM 577 CA ALA A 42 -11.211 23.765 -30.103 1.00 41.23 C ATOM 578 C ALA A 42 -10.765 22.487 -30.830 1.00 74.25 C ATOM 579 O ALA A 42 -11.567 21.813 -31.466 1.00 71.32 O ATOM 580 CB ALA A 42 -10.887 24.993 -30.965 1.00 74.01 C ATOM 0 H ALA A 42 -9.935 24.699 -28.716 1.00 12.32 H new ATOM 0 HA ALA A 42 -12.287 23.696 -29.940 1.00 41.23 H new ATOM 0 HB1 ALA A 42 -11.370 24.893 -31.937 1.00 74.01 H new ATOM 0 HB2 ALA A 42 -11.252 25.892 -30.469 1.00 74.01 H new ATOM 0 HB3 ALA A 42 -9.808 25.067 -31.102 1.00 74.01 H new ATOM 586 N LEU A 43 -9.491 22.133 -30.699 1.00 75.42 N ATOM 587 CA LEU A 43 -8.975 20.915 -31.324 1.00 21.43 C ATOM 588 C LEU A 43 -9.496 19.677 -30.602 1.00 30.42 C ATOM 589 O LEU A 43 -9.744 18.646 -31.221 1.00 31.11 O ATOM 590 CB LEU A 43 -7.443 20.906 -31.308 1.00 71.55 C ATOM 591 CG LEU A 43 -6.738 21.894 -32.254 1.00 33.15 C ATOM 592 CD1 LEU A 43 -5.230 21.860 -32.021 1.00 13.01 C ATOM 593 CD2 LEU A 43 -7.029 21.573 -33.724 1.00 14.04 C ATOM 0 H LEU A 43 -8.800 22.665 -30.171 1.00 75.42 H new ATOM 0 HA LEU A 43 -9.322 20.898 -32.357 1.00 21.43 H new ATOM 0 HB2 LEU A 43 -7.112 21.113 -30.290 1.00 71.55 H new ATOM 0 HB3 LEU A 43 -7.106 19.899 -31.554 1.00 71.55 H new ATOM 0 HG LEU A 43 -7.125 22.889 -32.036 1.00 33.15 H new ATOM 0 HD11 LEU A 43 -4.742 22.563 -32.696 1.00 13.01 H new ATOM 0 HD12 LEU A 43 -5.015 22.138 -30.989 1.00 13.01 H new ATOM 0 HD13 LEU A 43 -4.855 20.854 -32.211 1.00 13.01 H new ATOM 0 HD21 LEU A 43 -6.515 22.292 -34.362 1.00 14.04 H new ATOM 0 HD22 LEU A 43 -6.677 20.567 -33.953 1.00 14.04 H new ATOM 0 HD23 LEU A 43 -8.102 21.632 -33.904 1.00 14.04 H new ATOM 605 N ALA A 44 -9.725 19.803 -29.303 1.00 51.43 N ATOM 606 CA ALA A 44 -10.274 18.700 -28.512 1.00 50.24 C ATOM 607 C ALA A 44 -11.675 18.304 -29.040 1.00 5.03 C ATOM 608 O ALA A 44 -12.023 17.142 -29.052 1.00 60.42 O ATOM 609 CB ALA A 44 -10.355 19.112 -27.045 1.00 63.15 C ATOM 0 H ALA A 44 -9.541 20.654 -28.771 1.00 51.43 H new ATOM 0 HA ALA A 44 -9.617 17.835 -28.602 1.00 50.24 H new ATOM 0 HB1 ALA A 44 -10.764 18.290 -26.458 1.00 63.15 H new ATOM 0 HB2 ALA A 44 -9.358 19.357 -26.680 1.00 63.15 H new ATOM 0 HB3 ALA A 44 -11.002 19.984 -26.947 1.00 63.15 H new ATOM 615 N MET A 45 -12.434 19.279 -29.508 1.00 63.02 N ATOM 616 CA MET A 45 -13.752 19.015 -30.072 1.00 23.40 C ATOM 617 C MET A 45 -13.634 18.192 -31.341 1.00 34.12 C ATOM 618 O MET A 45 -14.518 17.370 -31.670 1.00 51.30 O ATOM 619 CB MET A 45 -14.494 20.300 -30.386 1.00 43.45 C ATOM 620 CG MET A 45 -14.723 21.184 -29.166 1.00 32.43 C ATOM 621 SD MET A 45 -15.620 22.691 -29.590 1.00 22.42 S ATOM 622 CE MET A 45 -17.323 22.090 -29.704 1.00 50.42 C ATOM 0 H MET A 45 -12.163 20.262 -29.510 1.00 63.02 H new ATOM 0 HA MET A 45 -14.315 18.460 -29.322 1.00 23.40 H new ATOM 0 HB2 MET A 45 -13.931 20.862 -31.131 1.00 43.45 H new ATOM 0 HB3 MET A 45 -15.457 20.054 -30.832 1.00 43.45 H new ATOM 0 HG2 MET A 45 -15.282 20.628 -28.414 1.00 32.43 H new ATOM 0 HG3 MET A 45 -13.763 21.445 -28.721 1.00 32.43 H new ATOM 0 HE1 MET A 45 -17.985 22.918 -29.960 1.00 50.42 H new ATOM 0 HE2 MET A 45 -17.387 21.322 -30.475 1.00 50.42 H new ATOM 0 HE3 MET A 45 -17.625 21.668 -28.746 1.00 50.42 H new ATOM 632 N ARG A 46 -12.549 18.387 -32.075 1.00 74.33 N ATOM 633 CA ARG A 46 -12.328 17.647 -33.338 1.00 52.43 C ATOM 634 C ARG A 46 -11.900 16.217 -33.046 1.00 62.41 C ATOM 635 O ARG A 46 -12.276 15.301 -33.733 1.00 11.04 O ATOM 636 CB ARG A 46 -11.244 18.337 -34.182 1.00 72.24 C ATOM 637 CG ARG A 46 -11.467 19.840 -34.410 1.00 20.03 C ATOM 638 CD ARG A 46 -12.863 20.109 -34.951 1.00 74.15 C ATOM 639 NE ARG A 46 -12.954 21.448 -35.535 1.00 1.21 N ATOM 640 CZ ARG A 46 -14.030 21.888 -36.199 1.00 62.33 C ATOM 641 NH1 ARG A 46 -15.129 21.137 -36.341 1.00 43.21 N ATOM 642 NH2 ARG A 46 -14.020 23.064 -36.741 1.00 32.33 N ATOM 0 H ARG A 46 -11.806 19.042 -31.833 1.00 74.33 H new ATOM 0 HA ARG A 46 -13.266 17.637 -33.894 1.00 52.43 H new ATOM 0 HB2 ARG A 46 -10.279 18.197 -33.695 1.00 72.24 H new ATOM 0 HB3 ARG A 46 -11.187 17.841 -35.151 1.00 72.24 H new ATOM 0 HG2 ARG A 46 -11.327 20.378 -33.473 1.00 20.03 H new ATOM 0 HG3 ARG A 46 -10.723 20.219 -35.110 1.00 20.03 H new ATOM 0 HD2 ARG A 46 -13.114 19.363 -35.705 1.00 74.15 H new ATOM 0 HD3 ARG A 46 -13.593 20.009 -34.148 1.00 74.15 H new ATOM 0 HE ARG A 46 -12.158 22.077 -35.431 1.00 1.21 H new ATOM 0 HH11 ARG A 46 -15.163 20.201 -35.937 1.00 43.21 H new ATOM 0 HH12 ARG A 46 -15.933 21.501 -36.853 1.00 43.21 H new ATOM 0 HH21 ARG A 46 -13.192 23.655 -36.662 1.00 32.33 H new ATOM 0 HH22 ARG A 46 -14.840 23.399 -37.247 1.00 32.33 H new ATOM 656 N LEU A 47 -11.117 16.086 -31.998 1.00 0.53 N ATOM 657 CA LEU A 47 -10.635 14.777 -31.517 1.00 10.21 C ATOM 658 C LEU A 47 -11.835 13.902 -31.189 1.00 4.34 C ATOM 659 O LEU A 47 -11.935 12.757 -31.577 1.00 3.22 O ATOM 660 CB LEU A 47 -9.747 14.969 -30.314 1.00 42.12 C ATOM 661 CG LEU A 47 -9.133 13.724 -29.691 1.00 42.44 C ATOM 662 CD1 LEU A 47 -8.077 13.091 -30.588 1.00 23.40 C ATOM 663 CD2 LEU A 47 -8.504 14.099 -28.353 1.00 53.11 C ATOM 0 H LEU A 47 -10.787 16.876 -31.443 1.00 0.53 H new ATOM 0 HA LEU A 47 -10.044 14.284 -32.289 1.00 10.21 H new ATOM 0 HB2 LEU A 47 -8.935 15.639 -30.598 1.00 42.12 H new ATOM 0 HB3 LEU A 47 -10.327 15.479 -29.545 1.00 42.12 H new ATOM 0 HG LEU A 47 -9.927 12.990 -29.554 1.00 42.44 H new ATOM 0 HD11 LEU A 47 -7.668 12.206 -30.100 1.00 23.40 H new ATOM 0 HD12 LEU A 47 -8.530 12.805 -31.537 1.00 23.40 H new ATOM 0 HD13 LEU A 47 -7.276 13.808 -30.769 1.00 23.40 H new ATOM 0 HD21 LEU A 47 -8.061 13.213 -27.898 1.00 53.11 H new ATOM 0 HD22 LEU A 47 -7.731 14.850 -28.512 1.00 53.11 H new ATOM 0 HD23 LEU A 47 -9.270 14.502 -27.691 1.00 53.11 H new ATOM 675 N ILE A 48 -12.776 14.500 -30.452 1.00 63.22 N ATOM 676 CA ILE A 48 -13.984 13.800 -30.026 1.00 33.20 C ATOM 677 C ILE A 48 -14.777 13.333 -31.235 1.00 54.13 C ATOM 678 O ILE A 48 -15.328 12.230 -31.233 1.00 64.40 O ATOM 679 CB ILE A 48 -14.822 14.700 -29.110 1.00 3.43 C ATOM 680 CG1 ILE A 48 -14.077 14.928 -27.772 1.00 34.10 C ATOM 681 CG2 ILE A 48 -16.198 14.076 -28.818 1.00 44.31 C ATOM 682 CD1 ILE A 48 -14.513 16.145 -27.019 1.00 71.35 C ATOM 0 H ILE A 48 -12.721 15.469 -30.139 1.00 63.22 H new ATOM 0 HA ILE A 48 -13.703 12.915 -29.455 1.00 33.20 H new ATOM 0 HB ILE A 48 -14.972 15.650 -29.623 1.00 3.43 H new ATOM 0 HG12 ILE A 48 -14.220 14.053 -27.138 1.00 34.10 H new ATOM 0 HG13 ILE A 48 -13.009 15.005 -27.974 1.00 34.10 H new ATOM 0 HG21 ILE A 48 -16.767 14.739 -28.166 1.00 44.31 H new ATOM 0 HG22 ILE A 48 -16.739 13.935 -29.753 1.00 44.31 H new ATOM 0 HG23 ILE A 48 -16.064 13.112 -28.327 1.00 44.31 H new ATOM 0 HD11 ILE A 48 -13.939 16.227 -26.096 1.00 71.35 H new ATOM 0 HD12 ILE A 48 -14.344 17.031 -27.631 1.00 71.35 H new ATOM 0 HD13 ILE A 48 -15.574 16.065 -26.781 1.00 71.35 H new ATOM 694 N ALA A 49 -14.834 14.150 -32.280 1.00 65.54 N ATOM 695 CA ALA A 49 -15.561 13.758 -33.487 1.00 13.03 C ATOM 696 C ALA A 49 -14.947 12.491 -34.114 1.00 63.45 C ATOM 697 O ALA A 49 -15.651 11.576 -34.467 1.00 72.43 O ATOM 698 CB ALA A 49 -15.573 14.915 -34.500 1.00 5.34 C ATOM 0 H ALA A 49 -14.396 15.070 -32.320 1.00 65.54 H new ATOM 0 HA ALA A 49 -16.589 13.528 -33.209 1.00 13.03 H new ATOM 0 HB1 ALA A 49 -16.117 14.610 -35.394 1.00 5.34 H new ATOM 0 HB2 ALA A 49 -16.061 15.782 -34.056 1.00 5.34 H new ATOM 0 HB3 ALA A 49 -14.549 15.174 -34.769 1.00 5.34 H new ATOM 704 N ARG A 50 -13.634 12.429 -34.162 1.00 62.43 N ATOM 705 CA ARG A 50 -12.931 11.286 -34.687 1.00 74.50 C ATOM 706 C ARG A 50 -13.077 10.029 -33.829 1.00 31.25 C ATOM 707 O ARG A 50 -13.102 8.921 -34.328 1.00 23.22 O ATOM 708 CB ARG A 50 -11.454 11.560 -34.846 1.00 12.44 C ATOM 709 CG ARG A 50 -11.115 12.236 -36.125 1.00 4.32 C ATOM 710 CD ARG A 50 -9.608 12.370 -36.154 1.00 61.11 C ATOM 711 NE ARG A 50 -9.131 13.044 -37.356 1.00 40.32 N ATOM 712 CZ ARG A 50 -8.625 12.426 -38.411 1.00 41.43 C ATOM 713 NH1 ARG A 50 -8.547 11.117 -38.507 1.00 22.21 N ATOM 714 NH2 ARG A 50 -8.151 13.140 -39.380 1.00 71.41 N ATOM 0 H ARG A 50 -13.023 13.177 -33.835 1.00 62.43 H new ATOM 0 HA ARG A 50 -13.397 11.106 -35.656 1.00 74.50 H new ATOM 0 HB2 ARG A 50 -11.115 12.179 -34.015 1.00 12.44 H new ATOM 0 HB3 ARG A 50 -10.908 10.618 -34.785 1.00 12.44 H new ATOM 0 HG2 ARG A 50 -11.469 11.655 -36.977 1.00 4.32 H new ATOM 0 HG3 ARG A 50 -11.593 13.214 -36.185 1.00 4.32 H new ATOM 0 HD2 ARG A 50 -9.279 12.925 -35.275 1.00 61.11 H new ATOM 0 HD3 ARG A 50 -9.157 11.380 -36.093 1.00 61.11 H new ATOM 0 HE ARG A 50 -9.192 14.062 -37.386 1.00 40.32 H new ATOM 0 HH11 ARG A 50 -8.886 10.529 -37.746 1.00 22.21 H new ATOM 0 HH12 ARG A 50 -8.148 10.690 -39.343 1.00 22.21 H new ATOM 0 HH21 ARG A 50 -8.172 14.158 -39.321 1.00 71.41 H new ATOM 0 HH22 ARG A 50 -7.756 12.685 -40.203 1.00 71.41 H new ATOM 728 N ILE A 51 -13.211 10.202 -32.520 1.00 63.13 N ATOM 729 CA ILE A 51 -13.426 9.066 -31.631 1.00 40.23 C ATOM 730 C ILE A 51 -14.736 8.353 -31.987 1.00 65.12 C ATOM 731 O ILE A 51 -14.821 7.129 -31.942 1.00 34.43 O ATOM 732 CB ILE A 51 -13.410 9.500 -30.128 1.00 44.41 C ATOM 733 CG1 ILE A 51 -11.991 9.916 -29.727 1.00 73.23 C ATOM 734 CG2 ILE A 51 -13.861 8.316 -29.238 1.00 22.02 C ATOM 735 CD1 ILE A 51 -11.868 10.600 -28.352 1.00 44.13 C ATOM 0 H ILE A 51 -13.175 11.108 -32.053 1.00 63.13 H new ATOM 0 HA ILE A 51 -12.602 8.367 -31.772 1.00 40.23 H new ATOM 0 HB ILE A 51 -14.091 10.340 -29.993 1.00 44.41 H new ATOM 0 HG12 ILE A 51 -11.356 9.030 -29.732 1.00 73.23 H new ATOM 0 HG13 ILE A 51 -11.600 10.593 -30.487 1.00 73.23 H new ATOM 0 HG21 ILE A 51 -13.849 8.622 -28.192 1.00 22.02 H new ATOM 0 HG22 ILE A 51 -14.871 8.016 -29.516 1.00 22.02 H new ATOM 0 HG23 ILE A 51 -13.181 7.476 -29.378 1.00 22.02 H new ATOM 0 HD11 ILE A 51 -10.825 10.854 -28.164 1.00 44.13 H new ATOM 0 HD12 ILE A 51 -12.470 11.508 -28.342 1.00 44.13 H new ATOM 0 HD13 ILE A 51 -12.222 9.922 -27.575 1.00 44.13 H new ATOM 747 N ARG A 52 -15.734 9.099 -32.452 1.00 24.22 N ATOM 748 CA ARG A 52 -16.973 8.476 -32.897 1.00 73.34 C ATOM 749 C ARG A 52 -16.780 7.617 -34.140 1.00 51.03 C ATOM 750 O ARG A 52 -17.537 6.688 -34.364 1.00 64.41 O ATOM 751 CB ARG A 52 -18.026 9.507 -33.214 1.00 50.35 C ATOM 752 CG ARG A 52 -18.432 10.365 -32.055 1.00 61.34 C ATOM 753 CD ARG A 52 -19.609 11.177 -32.477 1.00 71.21 C ATOM 754 NE ARG A 52 -20.046 12.142 -31.456 1.00 41.20 N ATOM 755 CZ ARG A 52 -21.133 12.899 -31.536 1.00 11.24 C ATOM 756 NH1 ARG A 52 -21.934 12.862 -32.571 1.00 74.35 N ATOM 757 NH2 ARG A 52 -21.424 13.697 -30.550 1.00 13.20 N ATOM 0 H ARG A 52 -15.710 10.116 -32.529 1.00 24.22 H new ATOM 0 HA ARG A 52 -17.294 7.846 -32.068 1.00 73.34 H new ATOM 0 HB2 ARG A 52 -17.656 10.150 -34.013 1.00 50.35 H new ATOM 0 HB3 ARG A 52 -18.910 8.998 -33.598 1.00 50.35 H new ATOM 0 HG2 ARG A 52 -18.684 9.748 -31.193 1.00 61.34 H new ATOM 0 HG3 ARG A 52 -17.609 11.013 -31.753 1.00 61.34 H new ATOM 0 HD2 ARG A 52 -19.362 11.714 -33.393 1.00 71.21 H new ATOM 0 HD3 ARG A 52 -20.437 10.509 -32.713 1.00 71.21 H new ATOM 0 HE ARG A 52 -19.468 12.237 -30.621 1.00 41.20 H new ATOM 0 HH11 ARG A 52 -21.731 12.236 -33.351 1.00 74.35 H new ATOM 0 HH12 ARG A 52 -22.761 13.459 -32.598 1.00 74.35 H new ATOM 0 HH21 ARG A 52 -20.820 13.735 -29.729 1.00 13.20 H new ATOM 0 HH22 ARG A 52 -22.256 14.285 -30.598 1.00 13.20 H new ATOM 771 N GLU A 53 -15.821 7.972 -34.975 1.00 22.40 N ATOM 772 CA GLU A 53 -15.605 7.277 -36.236 1.00 20.40 C ATOM 773 C GLU A 53 -14.801 6.016 -35.987 1.00 13.52 C ATOM 774 O GLU A 53 -14.997 5.000 -36.645 1.00 73.52 O ATOM 775 CB GLU A 53 -14.855 8.207 -37.210 1.00 52.14 C ATOM 776 CG GLU A 53 -15.606 9.516 -37.493 1.00 2.51 C ATOM 777 CD GLU A 53 -14.835 10.463 -38.410 1.00 73.00 C ATOM 778 OE1 GLU A 53 -13.724 10.900 -38.034 1.00 53.40 O ATOM 779 OE2 GLU A 53 -15.381 10.835 -39.474 1.00 45.13 O ATOM 0 H GLU A 53 -15.174 8.742 -34.803 1.00 22.40 H new ATOM 0 HA GLU A 53 -16.564 7.002 -36.676 1.00 20.40 H new ATOM 0 HB2 GLU A 53 -13.874 8.440 -36.797 1.00 52.14 H new ATOM 0 HB3 GLU A 53 -14.688 7.680 -38.150 1.00 52.14 H new ATOM 0 HG2 GLU A 53 -16.569 9.284 -37.947 1.00 2.51 H new ATOM 0 HG3 GLU A 53 -15.812 10.021 -36.549 1.00 2.51 H new ATOM 786 N GLU A 54 -13.901 6.093 -35.015 1.00 32.50 N ATOM 787 CA GLU A 54 -13.001 4.977 -34.710 1.00 23.44 C ATOM 788 C GLU A 54 -13.521 3.994 -33.651 1.00 0.22 C ATOM 789 O GLU A 54 -13.513 2.791 -33.844 1.00 13.20 O ATOM 790 CB GLU A 54 -11.669 5.516 -34.201 1.00 31.23 C ATOM 791 CG GLU A 54 -10.698 5.941 -35.289 1.00 41.02 C ATOM 792 CD GLU A 54 -10.211 4.771 -36.141 1.00 20.21 C ATOM 793 OE1 GLU A 54 -9.819 3.726 -35.561 1.00 53.15 O ATOM 794 OE2 GLU A 54 -10.155 4.916 -37.376 1.00 21.41 O ATOM 0 H GLU A 54 -13.771 6.913 -34.423 1.00 32.50 H new ATOM 0 HA GLU A 54 -12.910 4.430 -35.649 1.00 23.44 H new ATOM 0 HB2 GLU A 54 -11.862 6.370 -33.552 1.00 31.23 H new ATOM 0 HB3 GLU A 54 -11.194 4.751 -33.588 1.00 31.23 H new ATOM 0 HG2 GLU A 54 -11.181 6.676 -35.933 1.00 41.02 H new ATOM 0 HG3 GLU A 54 -9.840 6.433 -34.831 1.00 41.02 H new ATOM 801 N LEU A 55 -13.930 4.519 -32.497 1.00 72.31 N ATOM 802 CA LEU A 55 -14.326 3.709 -31.353 1.00 41.03 C ATOM 803 C LEU A 55 -15.860 3.545 -31.329 1.00 61.13 C ATOM 804 O LEU A 55 -16.428 2.806 -30.538 1.00 74.22 O ATOM 805 CB LEU A 55 -13.885 4.285 -30.069 1.00 12.23 C ATOM 806 CG LEU A 55 -12.356 4.618 -29.936 1.00 42.34 C ATOM 807 CD1 LEU A 55 -12.117 4.998 -28.458 1.00 2.32 C ATOM 808 CD2 LEU A 55 -11.407 3.513 -30.315 1.00 63.12 C ATOM 0 H LEU A 55 -13.995 5.523 -32.332 1.00 72.31 H new ATOM 0 HA LEU A 55 -13.838 2.741 -31.469 1.00 41.03 H new ATOM 0 HB2 LEU A 55 -14.450 5.201 -29.895 1.00 12.23 H new ATOM 0 HB3 LEU A 55 -14.153 3.589 -29.274 1.00 12.23 H new ATOM 0 HG LEU A 55 -12.141 5.418 -30.645 1.00 42.34 H new ATOM 0 HD11 LEU A 55 -11.065 5.240 -28.310 1.00 2.32 H new ATOM 0 HD12 LEU A 55 -12.728 5.864 -28.202 1.00 2.32 H new ATOM 0 HD13 LEU A 55 -12.390 4.159 -27.818 1.00 2.32 H new ATOM 0 HD21 LEU A 55 -10.380 3.854 -30.184 1.00 63.12 H new ATOM 0 HD22 LEU A 55 -11.585 2.646 -29.679 1.00 63.12 H new ATOM 0 HD23 LEU A 55 -11.568 3.237 -31.357 1.00 63.12 H new ATOM 820 N GLY A 56 -16.524 4.301 -32.231 1.00 43.34 N ATOM 821 CA GLY A 56 -17.975 4.216 -32.352 1.00 31.23 C ATOM 822 C GLY A 56 -18.746 4.853 -31.213 1.00 70.22 C ATOM 823 O GLY A 56 -19.915 4.522 -31.003 1.00 14.11 O ATOM 0 H GLY A 56 -16.079 4.961 -32.869 1.00 43.34 H new ATOM 0 HA2 GLY A 56 -18.276 4.690 -33.286 1.00 31.23 H new ATOM 0 HA3 GLY A 56 -18.259 3.166 -32.422 1.00 31.23 H new ATOM 827 N VAL A 57 -18.104 5.738 -30.464 1.00 1.44 N ATOM 828 CA VAL A 57 -18.731 6.342 -29.281 1.00 72.43 C ATOM 829 C VAL A 57 -18.377 7.813 -29.158 1.00 33.34 C ATOM 830 O VAL A 57 -17.332 8.260 -29.624 1.00 13.41 O ATOM 831 CB VAL A 57 -18.300 5.622 -27.944 1.00 24.01 C ATOM 832 CG1 VAL A 57 -18.831 4.180 -27.904 1.00 44.05 C ATOM 833 CG2 VAL A 57 -16.770 5.609 -27.774 1.00 35.34 C ATOM 0 H VAL A 57 -17.153 6.057 -30.647 1.00 1.44 H new ATOM 0 HA VAL A 57 -19.805 6.225 -29.422 1.00 72.43 H new ATOM 0 HB VAL A 57 -18.735 6.190 -27.121 1.00 24.01 H new ATOM 0 HG11 VAL A 57 -18.521 3.704 -26.974 1.00 44.05 H new ATOM 0 HG12 VAL A 57 -19.919 4.191 -27.961 1.00 44.05 H new ATOM 0 HG13 VAL A 57 -18.429 3.621 -28.749 1.00 44.05 H new ATOM 0 HG21 VAL A 57 -16.512 5.105 -26.843 1.00 35.34 H new ATOM 0 HG22 VAL A 57 -16.315 5.079 -28.611 1.00 35.34 H new ATOM 0 HG23 VAL A 57 -16.398 6.633 -27.748 1.00 35.34 H new ATOM 843 N ASP A 58 -19.254 8.567 -28.520 1.00 72.32 N ATOM 844 CA ASP A 58 -19.027 9.989 -28.288 1.00 62.05 C ATOM 845 C ASP A 58 -18.178 10.163 -27.044 1.00 11.13 C ATOM 846 O ASP A 58 -18.642 9.897 -25.933 1.00 51.41 O ATOM 847 CB ASP A 58 -20.359 10.710 -28.093 1.00 1.41 C ATOM 848 CG ASP A 58 -20.200 12.219 -28.079 1.00 22.12 C ATOM 849 OD1 ASP A 58 -19.280 12.714 -28.765 1.00 30.23 O ATOM 850 OD2 ASP A 58 -21.069 12.917 -27.526 1.00 52.35 O ATOM 0 H ASP A 58 -20.138 8.218 -28.149 1.00 72.32 H new ATOM 0 HA ASP A 58 -18.515 10.414 -29.152 1.00 62.05 H new ATOM 0 HB2 ASP A 58 -21.044 10.426 -28.892 1.00 1.41 H new ATOM 0 HB3 ASP A 58 -20.811 10.386 -27.156 1.00 1.41 H new ATOM 855 N LEU A 59 -16.928 10.579 -27.201 1.00 11.30 N ATOM 856 CA LEU A 59 -16.062 10.751 -26.031 1.00 35.23 C ATOM 857 C LEU A 59 -16.608 11.890 -25.163 1.00 53.13 C ATOM 858 O LEU A 59 -16.705 13.037 -25.613 1.00 71.23 O ATOM 859 CB LEU A 59 -14.622 11.067 -26.398 1.00 11.43 C ATOM 860 CG LEU A 59 -13.711 11.182 -25.150 1.00 21.34 C ATOM 861 CD1 LEU A 59 -13.240 9.818 -24.692 1.00 40.14 C ATOM 862 CD2 LEU A 59 -12.517 12.115 -25.303 1.00 41.20 C ATOM 0 H LEU A 59 -16.496 10.799 -28.098 1.00 11.30 H new ATOM 0 HA LEU A 59 -16.063 9.803 -25.493 1.00 35.23 H new ATOM 0 HB2 LEU A 59 -14.237 10.288 -27.056 1.00 11.43 H new ATOM 0 HB3 LEU A 59 -14.588 12.002 -26.958 1.00 11.43 H new ATOM 0 HG LEU A 59 -14.348 11.638 -24.392 1.00 21.34 H new ATOM 0 HD11 LEU A 59 -12.603 9.929 -23.815 1.00 40.14 H new ATOM 0 HD12 LEU A 59 -14.102 9.202 -24.438 1.00 40.14 H new ATOM 0 HD13 LEU A 59 -12.675 9.340 -25.493 1.00 40.14 H new ATOM 0 HD21 LEU A 59 -11.943 12.126 -24.376 1.00 41.20 H new ATOM 0 HD22 LEU A 59 -11.884 11.765 -26.118 1.00 41.20 H new ATOM 0 HD23 LEU A 59 -12.869 13.123 -25.524 1.00 41.20 H new ATOM 874 N PRO A 60 -16.884 11.614 -23.882 1.00 41.34 N ATOM 875 CA PRO A 60 -17.232 12.730 -23.001 1.00 65.41 C ATOM 876 C PRO A 60 -16.036 13.670 -22.850 1.00 24.22 C ATOM 877 O PRO A 60 -14.969 13.244 -22.411 1.00 73.41 O ATOM 878 CB PRO A 60 -17.534 12.039 -21.660 1.00 1.11 C ATOM 879 CG PRO A 60 -17.727 10.588 -21.996 1.00 54.52 C ATOM 880 CD PRO A 60 -16.826 10.339 -23.158 1.00 24.34 C ATOM 0 HA PRO A 60 -18.062 13.331 -23.372 1.00 65.41 H new ATOM 0 HB2 PRO A 60 -16.714 12.174 -20.955 1.00 1.11 H new ATOM 0 HB3 PRO A 60 -18.427 12.457 -21.194 1.00 1.11 H new ATOM 0 HG2 PRO A 60 -17.468 9.949 -21.152 1.00 54.52 H new ATOM 0 HG3 PRO A 60 -18.766 10.376 -22.249 1.00 54.52 H new ATOM 0 HD2 PRO A 60 -15.811 10.098 -22.841 1.00 24.34 H new ATOM 0 HD3 PRO A 60 -17.174 9.508 -23.771 1.00 24.34 H new ATOM 888 N ILE A 61 -16.205 14.945 -23.172 1.00 35.42 N ATOM 889 CA ILE A 61 -15.094 15.895 -23.054 1.00 12.32 C ATOM 890 C ILE A 61 -14.596 16.000 -21.596 1.00 22.20 C ATOM 891 O ILE A 61 -13.443 16.316 -21.339 1.00 23.01 O ATOM 892 CB ILE A 61 -15.478 17.294 -23.646 1.00 12.04 C ATOM 893 CG1 ILE A 61 -14.192 18.102 -23.916 1.00 60.31 C ATOM 894 CG2 ILE A 61 -16.447 18.068 -22.711 1.00 33.45 C ATOM 895 CD1 ILE A 61 -14.383 19.289 -24.885 1.00 3.21 C ATOM 0 H ILE A 61 -17.080 15.345 -23.511 1.00 35.42 H new ATOM 0 HA ILE A 61 -14.263 15.513 -23.647 1.00 12.32 H new ATOM 0 HB ILE A 61 -16.009 17.143 -24.586 1.00 12.04 H new ATOM 0 HG12 ILE A 61 -13.807 18.479 -22.968 1.00 60.31 H new ATOM 0 HG13 ILE A 61 -13.434 17.433 -24.324 1.00 60.31 H new ATOM 0 HG21 ILE A 61 -16.689 19.033 -23.157 1.00 33.45 H new ATOM 0 HG22 ILE A 61 -17.362 17.490 -22.576 1.00 33.45 H new ATOM 0 HG23 ILE A 61 -15.971 18.225 -21.743 1.00 33.45 H new ATOM 0 HD11 ILE A 61 -13.432 19.804 -25.021 1.00 3.21 H new ATOM 0 HD12 ILE A 61 -14.737 18.920 -25.848 1.00 3.21 H new ATOM 0 HD13 ILE A 61 -15.115 19.982 -24.471 1.00 3.21 H new ATOM 907 N ARG A 62 -15.459 15.680 -20.639 1.00 72.30 N ATOM 908 CA ARG A 62 -15.055 15.679 -19.236 1.00 3.33 C ATOM 909 C ARG A 62 -13.971 14.626 -18.992 1.00 0.40 C ATOM 910 O ARG A 62 -13.073 14.876 -18.199 1.00 33.24 O ATOM 911 CB ARG A 62 -16.267 15.426 -18.313 1.00 44.24 C ATOM 912 CG ARG A 62 -15.943 15.384 -16.793 1.00 35.42 C ATOM 913 CD ARG A 62 -15.279 16.671 -16.280 1.00 74.11 C ATOM 914 NE ARG A 62 -16.190 17.831 -16.347 1.00 1.22 N ATOM 915 CZ ARG A 62 -16.955 18.263 -15.349 1.00 72.34 C ATOM 916 NH1 ARG A 62 -16.983 17.670 -14.179 1.00 2.52 N ATOM 917 NH2 ARG A 62 -17.700 19.315 -15.533 1.00 25.21 N ATOM 0 H ARG A 62 -16.432 15.421 -20.804 1.00 72.30 H new ATOM 0 HA ARG A 62 -14.647 16.662 -19.001 1.00 3.33 H new ATOM 0 HB2 ARG A 62 -17.007 16.207 -18.489 1.00 44.24 H new ATOM 0 HB3 ARG A 62 -16.728 14.480 -18.596 1.00 44.24 H new ATOM 0 HG2 ARG A 62 -16.864 15.211 -16.236 1.00 35.42 H new ATOM 0 HG3 ARG A 62 -15.285 14.538 -16.591 1.00 35.42 H new ATOM 0 HD2 ARG A 62 -14.954 16.525 -15.250 1.00 74.11 H new ATOM 0 HD3 ARG A 62 -14.386 16.878 -16.870 1.00 74.11 H new ATOM 0 HE ARG A 62 -16.236 18.341 -17.229 1.00 1.22 H new ATOM 0 HH11 ARG A 62 -16.404 16.847 -14.010 1.00 2.52 H new ATOM 0 HH12 ARG A 62 -17.583 18.032 -13.438 1.00 2.52 H new ATOM 0 HH21 ARG A 62 -17.691 19.795 -16.433 1.00 25.21 H new ATOM 0 HH22 ARG A 62 -18.292 19.659 -14.777 1.00 25.21 H new ATOM 931 N GLN A 63 -14.004 13.489 -19.677 1.00 12.14 N ATOM 932 CA GLN A 63 -12.993 12.493 -19.483 1.00 4.43 C ATOM 933 C GLN A 63 -11.654 13.013 -20.020 1.00 43.51 C ATOM 934 O GLN A 63 -10.620 12.813 -19.400 1.00 11.30 O ATOM 935 CB GLN A 63 -13.344 11.190 -20.236 1.00 25.21 C ATOM 936 CG GLN A 63 -13.844 10.027 -19.353 1.00 5.25 C ATOM 937 CD GLN A 63 -14.918 10.491 -18.362 1.00 35.01 C ATOM 938 OE1 GLN A 63 -14.653 10.650 -17.196 1.00 14.51 O ATOM 939 NE2 GLN A 63 -16.134 10.698 -18.826 1.00 21.11 N ATOM 0 H GLN A 63 -14.719 13.248 -20.363 1.00 12.14 H new ATOM 0 HA GLN A 63 -12.927 12.283 -18.415 1.00 4.43 H new ATOM 0 HB2 GLN A 63 -14.110 11.415 -20.978 1.00 25.21 H new ATOM 0 HB3 GLN A 63 -12.461 10.856 -20.780 1.00 25.21 H new ATOM 0 HG2 GLN A 63 -14.249 9.237 -19.986 1.00 5.25 H new ATOM 0 HG3 GLN A 63 -13.004 9.598 -18.806 1.00 5.25 H new ATOM 0 HE21 GLN A 63 -16.333 10.557 -19.816 1.00 21.11 H new ATOM 0 HE22 GLN A 63 -16.876 11.000 -18.195 1.00 21.11 H new ATOM 948 N LEU A 64 -11.711 13.757 -21.111 1.00 5.44 N ATOM 949 CA LEU A 64 -10.502 14.345 -21.708 1.00 32.34 C ATOM 950 C LEU A 64 -9.903 15.380 -20.749 1.00 21.31 C ATOM 951 O LEU A 64 -8.702 15.416 -20.515 1.00 55.51 O ATOM 952 CB LEU A 64 -10.828 14.985 -23.046 1.00 53.34 C ATOM 953 CG LEU A 64 -9.596 15.298 -23.897 1.00 41.32 C ATOM 954 CD1 LEU A 64 -9.022 13.992 -24.538 1.00 42.51 C ATOM 955 CD2 LEU A 64 -10.023 16.313 -24.961 1.00 61.42 C ATOM 0 H LEU A 64 -12.575 13.974 -21.608 1.00 5.44 H new ATOM 0 HA LEU A 64 -9.770 13.555 -21.878 1.00 32.34 H new ATOM 0 HB2 LEU A 64 -11.485 14.320 -23.606 1.00 53.34 H new ATOM 0 HB3 LEU A 64 -11.382 15.908 -22.872 1.00 53.34 H new ATOM 0 HG LEU A 64 -8.797 15.718 -23.286 1.00 41.32 H new ATOM 0 HD11 LEU A 64 -8.146 14.236 -25.139 1.00 42.51 H new ATOM 0 HD12 LEU A 64 -8.738 13.294 -23.750 1.00 42.51 H new ATOM 0 HD13 LEU A 64 -9.781 13.534 -25.172 1.00 42.51 H new ATOM 0 HD21 LEU A 64 -9.168 16.562 -25.590 1.00 61.42 H new ATOM 0 HD22 LEU A 64 -10.814 15.884 -25.576 1.00 61.42 H new ATOM 0 HD23 LEU A 64 -10.391 17.216 -24.475 1.00 61.42 H new ATOM 967 N PHE A 65 -10.753 16.209 -20.165 1.00 15.31 N ATOM 968 CA PHE A 65 -10.286 17.244 -19.239 1.00 44.24 C ATOM 969 C PHE A 65 -9.774 16.653 -17.927 1.00 34.43 C ATOM 970 O PHE A 65 -8.957 17.263 -17.254 1.00 11.52 O ATOM 971 CB PHE A 65 -11.405 18.254 -18.953 1.00 0.45 C ATOM 972 CG PHE A 65 -11.800 19.113 -20.146 1.00 55.31 C ATOM 973 CD1 PHE A 65 -10.976 19.245 -21.300 1.00 20.00 C ATOM 974 CD2 PHE A 65 -13.017 19.829 -20.105 1.00 63.11 C ATOM 975 CE1 PHE A 65 -11.366 20.087 -22.378 1.00 31.34 C ATOM 976 CE2 PHE A 65 -13.405 20.671 -21.180 1.00 41.20 C ATOM 977 CZ PHE A 65 -12.574 20.800 -22.311 1.00 31.31 C ATOM 0 H PHE A 65 -11.763 16.191 -20.310 1.00 15.31 H new ATOM 0 HA PHE A 65 -9.452 17.753 -19.723 1.00 44.24 H new ATOM 0 HB2 PHE A 65 -12.285 17.713 -18.604 1.00 0.45 H new ATOM 0 HB3 PHE A 65 -11.088 18.907 -18.140 1.00 0.45 H new ATOM 0 HD1 PHE A 65 -10.045 18.700 -21.357 1.00 20.00 H new ATOM 0 HD2 PHE A 65 -13.661 19.734 -19.244 1.00 63.11 H new ATOM 0 HE1 PHE A 65 -10.733 20.178 -23.248 1.00 31.34 H new ATOM 0 HE2 PHE A 65 -14.338 21.213 -21.131 1.00 41.20 H new ATOM 0 HZ PHE A 65 -12.866 21.447 -23.125 1.00 31.31 H new ATOM 987 N SER A 66 -10.241 15.464 -17.577 1.00 74.42 N ATOM 988 CA SER A 66 -9.788 14.790 -16.360 1.00 34.13 C ATOM 989 C SER A 66 -8.465 14.071 -16.604 1.00 33.05 C ATOM 990 O SER A 66 -7.718 13.781 -15.670 1.00 2.01 O ATOM 991 CB SER A 66 -10.834 13.774 -15.903 1.00 23.54 C ATOM 992 OG SER A 66 -12.095 14.399 -15.717 1.00 61.41 O ATOM 0 H SER A 66 -10.933 14.943 -18.115 1.00 74.42 H new ATOM 0 HA SER A 66 -9.646 15.545 -15.586 1.00 34.13 H new ATOM 0 HB2 SER A 66 -10.923 12.979 -16.643 1.00 23.54 H new ATOM 0 HB3 SER A 66 -10.513 13.308 -14.971 1.00 23.54 H new ATOM 0 HG SER A 66 -12.564 14.452 -16.576 1.00 61.41 H new ATOM 998 N SER A 67 -8.196 13.742 -17.858 1.00 40.40 N ATOM 999 CA SER A 67 -6.985 13.023 -18.236 1.00 32.13 C ATOM 1000 C SER A 67 -6.617 13.360 -19.686 1.00 54.44 C ATOM 1001 O SER A 67 -7.103 12.722 -20.611 1.00 42.05 O ATOM 1002 CB SER A 67 -7.225 11.521 -18.111 1.00 20.31 C ATOM 1003 OG SER A 67 -7.547 11.176 -16.773 1.00 63.12 O ATOM 0 H SER A 67 -8.809 13.965 -18.643 1.00 40.40 H new ATOM 0 HA SER A 67 -6.169 13.319 -17.577 1.00 32.13 H new ATOM 0 HB2 SER A 67 -8.036 11.220 -18.775 1.00 20.31 H new ATOM 0 HB3 SER A 67 -6.335 10.977 -18.428 1.00 20.31 H new ATOM 0 HG SER A 67 -7.699 10.210 -16.712 1.00 63.12 H new ATOM 1009 N PRO A 68 -5.765 14.383 -19.897 1.00 35.50 N ATOM 1010 CA PRO A 68 -5.480 14.832 -21.274 1.00 32.54 C ATOM 1011 C PRO A 68 -4.459 13.990 -22.060 1.00 20.10 C ATOM 1012 O PRO A 68 -3.921 14.468 -23.058 1.00 3.15 O ATOM 1013 CB PRO A 68 -4.944 16.243 -21.040 1.00 43.43 C ATOM 1014 CG PRO A 68 -4.220 16.139 -19.767 1.00 31.33 C ATOM 1015 CD PRO A 68 -5.100 15.248 -18.909 1.00 13.30 C ATOM 0 HA PRO A 68 -6.370 14.753 -21.898 1.00 32.54 H new ATOM 0 HB2 PRO A 68 -4.286 16.560 -21.849 1.00 43.43 H new ATOM 0 HB3 PRO A 68 -5.752 16.973 -20.982 1.00 43.43 H new ATOM 0 HG2 PRO A 68 -3.230 15.705 -19.906 1.00 31.33 H new ATOM 0 HG3 PRO A 68 -4.078 17.118 -19.309 1.00 31.33 H new ATOM 0 HD2 PRO A 68 -4.513 14.668 -18.196 1.00 13.30 H new ATOM 0 HD3 PRO A 68 -5.820 15.828 -18.332 1.00 13.30 H new ATOM 1023 N THR A 69 -4.198 12.759 -21.643 1.00 32.34 N ATOM 1024 CA THR A 69 -3.268 11.890 -22.368 1.00 44.11 C ATOM 1025 C THR A 69 -4.026 10.750 -23.005 1.00 74.11 C ATOM 1026 O THR A 69 -5.120 10.414 -22.549 1.00 70.54 O ATOM 1027 CB THR A 69 -2.187 11.298 -21.443 1.00 74.03 C ATOM 1028 OG1 THR A 69 -2.766 10.375 -20.520 1.00 42.30 O ATOM 1029 CG2 THR A 69 -1.514 12.353 -20.661 1.00 14.13 C ATOM 0 H THR A 69 -4.612 12.337 -20.812 1.00 32.34 H new ATOM 0 HA THR A 69 -2.779 12.503 -23.125 1.00 44.11 H new ATOM 0 HB THR A 69 -1.463 10.794 -22.084 1.00 74.03 H new ATOM 0 HG1 THR A 69 -2.062 9.814 -20.133 1.00 42.30 H new ATOM 0 HG21 THR A 69 -0.757 11.903 -20.019 1.00 14.13 H new ATOM 0 HG22 THR A 69 -1.039 13.062 -21.339 1.00 14.13 H new ATOM 0 HG23 THR A 69 -2.248 12.875 -20.047 1.00 14.13 H new ATOM 1037 N PRO A 70 -3.493 10.141 -24.079 1.00 24.54 N ATOM 1038 CA PRO A 70 -4.338 9.127 -24.705 1.00 64.14 C ATOM 1039 C PRO A 70 -4.525 7.870 -23.831 1.00 3.13 C ATOM 1040 O PRO A 70 -5.638 7.296 -23.825 1.00 54.35 O ATOM 1041 CB PRO A 70 -3.592 8.826 -26.018 1.00 61.33 C ATOM 1042 CG PRO A 70 -2.216 9.125 -25.749 1.00 74.35 C ATOM 1043 CD PRO A 70 -2.225 10.299 -24.818 1.00 55.20 C ATOM 0 HA PRO A 70 -5.361 9.471 -24.860 1.00 64.14 H new ATOM 0 HB2 PRO A 70 -3.718 7.784 -26.312 1.00 61.33 H new ATOM 0 HB3 PRO A 70 -3.974 9.436 -26.836 1.00 61.33 H new ATOM 0 HG2 PRO A 70 -1.712 8.271 -25.296 1.00 74.35 H new ATOM 0 HG3 PRO A 70 -1.680 9.360 -26.669 1.00 74.35 H new ATOM 0 HD2 PRO A 70 -1.365 10.287 -24.148 1.00 55.20 H new ATOM 0 HD3 PRO A 70 -2.192 11.243 -25.362 1.00 55.20 H new ATOM 1051 N ALA A 71 -3.544 7.467 -23.036 1.00 2.32 N ATOM 1052 CA ALA A 71 -3.772 6.362 -22.121 1.00 71.34 C ATOM 1053 C ALA A 71 -4.526 6.796 -20.879 1.00 55.55 C ATOM 1054 O ALA A 71 -5.255 6.008 -20.277 1.00 21.11 O ATOM 1055 CB ALA A 71 -2.428 5.736 -21.699 1.00 71.32 C ATOM 0 H ALA A 71 -2.610 7.875 -23.005 1.00 2.32 H new ATOM 0 HA ALA A 71 -4.380 5.629 -22.651 1.00 71.34 H new ATOM 0 HB1 ALA A 71 -2.611 4.909 -21.013 1.00 71.32 H new ATOM 0 HB2 ALA A 71 -1.906 5.367 -22.582 1.00 71.32 H new ATOM 0 HB3 ALA A 71 -1.815 6.489 -21.203 1.00 71.32 H new ATOM 1061 N GLY A 72 -4.373 8.046 -20.496 1.00 75.51 N ATOM 1062 CA GLY A 72 -5.098 8.553 -19.340 1.00 0.02 C ATOM 1063 C GLY A 72 -6.572 8.576 -19.616 1.00 10.24 C ATOM 1064 O GLY A 72 -7.357 8.063 -18.829 1.00 13.33 O ATOM 0 H GLY A 72 -3.765 8.723 -20.956 1.00 75.51 H new ATOM 0 HA2 GLY A 72 -4.894 7.927 -18.472 1.00 0.02 H new ATOM 0 HA3 GLY A 72 -4.751 9.557 -19.097 1.00 0.02 H new ATOM 1068 N VAL A 73 -6.943 9.112 -20.760 1.00 5.33 N ATOM 1069 CA VAL A 73 -8.349 9.211 -21.130 1.00 12.01 C ATOM 1070 C VAL A 73 -8.961 7.840 -21.341 1.00 24.45 C ATOM 1071 O VAL A 73 -10.061 7.580 -20.863 1.00 42.11 O ATOM 1072 CB VAL A 73 -8.565 10.170 -22.345 1.00 2.41 C ATOM 1073 CG1 VAL A 73 -8.197 9.509 -23.698 1.00 33.44 C ATOM 1074 CG2 VAL A 73 -10.010 10.692 -22.376 1.00 23.11 C ATOM 0 H VAL A 73 -6.295 9.487 -21.453 1.00 5.33 H new ATOM 0 HA VAL A 73 -8.883 9.663 -20.294 1.00 12.01 H new ATOM 0 HB VAL A 73 -7.886 11.012 -22.206 1.00 2.41 H new ATOM 0 HG11 VAL A 73 -8.366 10.219 -24.508 1.00 33.44 H new ATOM 0 HG12 VAL A 73 -7.147 9.215 -23.686 1.00 33.44 H new ATOM 0 HG13 VAL A 73 -8.819 8.627 -23.853 1.00 33.44 H new ATOM 0 HG21 VAL A 73 -10.138 11.358 -23.230 1.00 23.11 H new ATOM 0 HG22 VAL A 73 -10.699 9.852 -22.464 1.00 23.11 H new ATOM 0 HG23 VAL A 73 -10.220 11.237 -21.456 1.00 23.11 H new ATOM 1084 N ALA A 74 -8.174 6.889 -21.846 1.00 61.12 N ATOM 1085 CA ALA A 74 -8.590 5.488 -22.033 1.00 71.34 C ATOM 1086 C ALA A 74 -8.943 4.862 -20.657 1.00 4.32 C ATOM 1087 O ALA A 74 -9.949 4.198 -20.497 1.00 55.34 O ATOM 1088 CB ALA A 74 -7.494 4.676 -22.692 1.00 3.01 C ATOM 0 H ALA A 74 -7.215 7.067 -22.143 1.00 61.12 H new ATOM 0 HA ALA A 74 -9.465 5.475 -22.683 1.00 71.34 H new ATOM 0 HB1 ALA A 74 -7.829 3.646 -22.817 1.00 3.01 H new ATOM 0 HB2 ALA A 74 -7.261 5.103 -23.667 1.00 3.01 H new ATOM 0 HB3 ALA A 74 -6.602 4.693 -22.066 1.00 3.01 H new ATOM 1094 N ARG A 75 -8.119 5.100 -19.653 1.00 55.13 N ATOM 1095 CA ARG A 75 -8.384 4.567 -18.316 1.00 12.32 C ATOM 1096 C ARG A 75 -9.625 5.221 -17.745 1.00 4.14 C ATOM 1097 O ARG A 75 -10.412 4.573 -17.039 1.00 70.41 O ATOM 1098 CB ARG A 75 -7.161 4.784 -17.398 1.00 3.33 C ATOM 1099 CG ARG A 75 -5.983 3.927 -17.793 1.00 13.34 C ATOM 1100 CD ARG A 75 -4.698 4.330 -17.028 1.00 71.33 C ATOM 1101 NE ARG A 75 -3.972 5.400 -17.735 1.00 5.30 N ATOM 1102 CZ ARG A 75 -2.815 5.941 -17.354 1.00 22.01 C ATOM 1103 NH1 ARG A 75 -2.181 5.568 -16.271 1.00 13.22 N ATOM 1104 NH2 ARG A 75 -2.277 6.875 -18.091 1.00 32.43 N ATOM 0 H ARG A 75 -7.266 5.653 -19.730 1.00 55.13 H new ATOM 0 HA ARG A 75 -8.560 3.493 -18.382 1.00 12.32 H new ATOM 0 HB2 ARG A 75 -6.869 5.834 -17.429 1.00 3.33 H new ATOM 0 HB3 ARG A 75 -7.440 4.561 -16.368 1.00 3.33 H new ATOM 0 HG2 ARG A 75 -6.212 2.880 -17.594 1.00 13.34 H new ATOM 0 HG3 ARG A 75 -5.811 4.017 -18.866 1.00 13.34 H new ATOM 0 HD2 ARG A 75 -4.959 4.665 -16.024 1.00 71.33 H new ATOM 0 HD3 ARG A 75 -4.051 3.460 -16.915 1.00 71.33 H new ATOM 0 HE ARG A 75 -4.392 5.759 -18.592 1.00 5.30 H new ATOM 0 HH11 ARG A 75 -2.571 4.834 -15.679 1.00 13.22 H new ATOM 0 HH12 ARG A 75 -1.297 6.011 -16.019 1.00 13.22 H new ATOM 0 HH21 ARG A 75 -2.742 7.181 -18.946 1.00 32.43 H new ATOM 0 HH22 ARG A 75 -1.392 7.298 -17.812 1.00 32.43 H new ATOM 1118 N ALA A 76 -9.730 6.517 -17.947 1.00 42.31 N ATOM 1119 CA ALA A 76 -10.832 7.271 -17.393 1.00 24.24 C ATOM 1120 C ALA A 76 -12.176 6.865 -17.976 1.00 2.23 C ATOM 1121 O ALA A 76 -13.151 6.669 -17.259 1.00 15.15 O ATOM 1122 CB ALA A 76 -10.570 8.794 -17.580 1.00 5.33 C ATOM 0 H ALA A 76 -9.066 7.069 -18.490 1.00 42.31 H new ATOM 0 HA ALA A 76 -10.888 7.043 -16.329 1.00 24.24 H new ATOM 0 HB1 ALA A 76 -11.402 9.360 -17.162 1.00 5.33 H new ATOM 0 HB2 ALA A 76 -9.649 9.070 -17.067 1.00 5.33 H new ATOM 0 HB3 ALA A 76 -10.476 9.019 -18.642 1.00 5.33 H new ATOM 1128 N LEU A 77 -12.229 6.712 -19.280 1.00 53.02 N ATOM 1129 CA LEU A 77 -13.468 6.324 -19.938 1.00 45.10 C ATOM 1130 C LEU A 77 -13.762 4.850 -19.676 1.00 12.13 C ATOM 1131 O LEU A 77 -14.929 4.476 -19.523 1.00 3.25 O ATOM 1132 CB LEU A 77 -13.422 6.672 -21.449 1.00 72.21 C ATOM 1133 CG LEU A 77 -12.296 5.970 -22.275 1.00 11.34 C ATOM 1134 CD1 LEU A 77 -12.631 4.614 -22.866 1.00 33.12 C ATOM 1135 CD2 LEU A 77 -11.876 6.840 -23.423 1.00 54.21 C ATOM 0 H LEU A 77 -11.437 6.848 -19.908 1.00 53.02 H new ATOM 0 HA LEU A 77 -14.295 6.895 -19.517 1.00 45.10 H new ATOM 0 HB2 LEU A 77 -14.385 6.415 -21.891 1.00 72.21 H new ATOM 0 HB3 LEU A 77 -13.302 7.751 -21.551 1.00 72.21 H new ATOM 0 HG LEU A 77 -11.513 5.810 -21.534 1.00 11.34 H new ATOM 0 HD11 LEU A 77 -11.769 4.233 -23.414 1.00 33.12 H new ATOM 0 HD12 LEU A 77 -12.886 3.921 -22.065 1.00 33.12 H new ATOM 0 HD13 LEU A 77 -13.478 4.712 -23.544 1.00 33.12 H new ATOM 0 HD21 LEU A 77 -11.091 6.340 -23.991 1.00 54.21 H new ATOM 0 HD22 LEU A 77 -12.732 7.024 -24.072 1.00 54.21 H new ATOM 0 HD23 LEU A 77 -11.499 7.789 -23.041 1.00 54.21 H new ATOM 1147 N ALA A 78 -12.732 4.024 -19.573 1.00 0.42 N ATOM 1148 CA ALA A 78 -12.952 2.619 -19.273 1.00 43.10 C ATOM 1149 C ALA A 78 -13.595 2.468 -17.887 1.00 61.10 C ATOM 1150 O ALA A 78 -14.564 1.734 -17.711 1.00 15.13 O ATOM 1151 CB ALA A 78 -11.645 1.819 -19.337 1.00 51.41 C ATOM 0 H ALA A 78 -11.756 4.295 -19.690 1.00 0.42 H new ATOM 0 HA ALA A 78 -13.627 2.219 -20.029 1.00 43.10 H new ATOM 0 HB1 ALA A 78 -11.847 0.773 -19.107 1.00 51.41 H new ATOM 0 HB2 ALA A 78 -11.220 1.895 -20.338 1.00 51.41 H new ATOM 0 HB3 ALA A 78 -10.937 2.220 -18.611 1.00 51.41 H new ATOM 1157 N ALA A 79 -13.080 3.217 -16.918 1.00 45.13 N ATOM 1158 CA ALA A 79 -13.622 3.185 -15.562 1.00 12.12 C ATOM 1159 C ALA A 79 -15.064 3.690 -15.551 1.00 52.35 C ATOM 1160 O ALA A 79 -15.925 3.133 -14.876 1.00 63.31 O ATOM 1161 CB ALA A 79 -12.751 4.040 -14.629 1.00 4.41 C ATOM 0 H ALA A 79 -12.291 3.852 -17.044 1.00 45.13 H new ATOM 0 HA ALA A 79 -13.615 2.155 -15.206 1.00 12.12 H new ATOM 0 HB1 ALA A 79 -13.162 4.011 -13.620 1.00 4.41 H new ATOM 0 HB2 ALA A 79 -11.734 3.647 -14.618 1.00 4.41 H new ATOM 0 HB3 ALA A 79 -12.738 5.070 -14.986 1.00 4.41 H new ATOM 1167 N LYS A 80 -15.334 4.736 -16.322 1.00 54.24 N ATOM 1168 CA LYS A 80 -16.681 5.298 -16.391 1.00 62.53 C ATOM 1169 C LYS A 80 -17.671 4.293 -16.977 1.00 63.20 C ATOM 1170 O LYS A 80 -18.799 4.186 -16.500 1.00 72.21 O ATOM 1171 CB LYS A 80 -16.675 6.590 -17.224 1.00 43.12 C ATOM 1172 CG LYS A 80 -18.023 7.330 -17.278 1.00 55.30 C ATOM 1173 CD LYS A 80 -18.510 7.756 -15.889 1.00 62.32 C ATOM 1174 CE LYS A 80 -19.845 8.477 -15.973 1.00 11.23 C ATOM 1175 NZ LYS A 80 -20.350 8.803 -14.593 1.00 42.42 N ATOM 0 H LYS A 80 -14.645 5.211 -16.905 1.00 54.24 H new ATOM 0 HA LYS A 80 -17.002 5.532 -15.376 1.00 62.53 H new ATOM 0 HB2 LYS A 80 -15.922 7.265 -16.816 1.00 43.12 H new ATOM 0 HB3 LYS A 80 -16.368 6.348 -18.242 1.00 43.12 H new ATOM 0 HG2 LYS A 80 -17.926 8.211 -17.912 1.00 55.30 H new ATOM 0 HG3 LYS A 80 -18.770 6.685 -17.740 1.00 55.30 H new ATOM 0 HD2 LYS A 80 -18.607 6.879 -15.250 1.00 62.32 H new ATOM 0 HD3 LYS A 80 -17.770 8.408 -15.425 1.00 62.32 H new ATOM 0 HE2 LYS A 80 -19.735 9.393 -16.553 1.00 11.23 H new ATOM 0 HE3 LYS A 80 -20.571 7.854 -16.495 1.00 11.23 H new ATOM 0 HZ1 LYS A 80 -21.314 9.187 -14.658 1.00 42.42 H new ATOM 0 HZ2 LYS A 80 -20.360 7.939 -14.014 1.00 42.42 H new ATOM 0 HZ3 LYS A 80 -19.725 9.508 -14.152 1.00 42.42 H new ATOM 1189 N SER A 81 -17.249 3.546 -17.987 1.00 14.43 N ATOM 1190 CA SER A 81 -18.131 2.563 -18.615 1.00 55.03 C ATOM 1191 C SER A 81 -18.327 1.345 -17.710 1.00 51.33 C ATOM 1192 O SER A 81 -19.425 0.812 -17.607 1.00 52.22 O ATOM 1193 CB SER A 81 -17.522 2.113 -19.947 1.00 55.51 C ATOM 1194 OG SER A 81 -18.399 1.244 -20.639 1.00 24.34 O ATOM 0 H SER A 81 -16.313 3.597 -18.388 1.00 14.43 H new ATOM 0 HA SER A 81 -19.102 3.028 -18.784 1.00 55.03 H new ATOM 0 HB2 SER A 81 -17.306 2.985 -20.565 1.00 55.51 H new ATOM 0 HB3 SER A 81 -16.573 1.608 -19.765 1.00 55.51 H new ATOM 0 HG SER A 81 -17.989 0.972 -21.486 1.00 24.34 H new ATOM 1200 N ALA A 82 -17.289 0.986 -16.966 1.00 13.34 N ATOM 1201 CA ALA A 82 -17.359 -0.134 -16.028 1.00 33.41 C ATOM 1202 C ALA A 82 -18.267 0.191 -14.839 1.00 35.02 C ATOM 1203 O ALA A 82 -18.755 -0.699 -14.153 1.00 23.53 O ATOM 1204 CB ALA A 82 -15.950 -0.484 -15.534 1.00 53.14 C ATOM 0 H ALA A 82 -16.383 1.455 -16.992 1.00 13.34 H new ATOM 0 HA ALA A 82 -17.786 -0.990 -16.550 1.00 33.41 H new ATOM 0 HB1 ALA A 82 -16.006 -1.319 -14.835 1.00 53.14 H new ATOM 0 HB2 ALA A 82 -15.326 -0.763 -16.383 1.00 53.14 H new ATOM 0 HB3 ALA A 82 -15.515 0.380 -15.032 1.00 53.14 H new ATOM 1210 N SER A 83 -18.483 1.477 -14.604 1.00 25.14 N ATOM 1211 CA SER A 83 -19.331 1.929 -13.505 1.00 22.32 C ATOM 1212 C SER A 83 -20.816 1.870 -13.858 1.00 73.53 C ATOM 1213 O SER A 83 -21.653 2.077 -12.986 1.00 30.01 O ATOM 1214 CB SER A 83 -18.974 3.367 -13.129 1.00 33.25 C ATOM 1215 OG SER A 83 -17.614 3.476 -12.742 1.00 70.34 O ATOM 0 H SER A 83 -18.082 2.231 -15.161 1.00 25.14 H new ATOM 0 HA SER A 83 -19.152 1.256 -12.667 1.00 22.32 H new ATOM 0 HB2 SER A 83 -19.167 4.025 -13.976 1.00 33.25 H new ATOM 0 HB3 SER A 83 -19.614 3.701 -12.313 1.00 33.25 H new ATOM 0 HG SER A 83 -17.039 3.207 -13.488 1.00 70.34 H new ATOM 1221 N TRP A 84 -21.128 1.638 -15.136 1.00 21.00 N ATOM 1222 CA TRP A 84 -22.519 1.569 -15.636 1.00 45.42 C ATOM 1223 C TRP A 84 -23.368 2.771 -15.193 1.00 23.23 C ATOM 1224 O TRP A 84 -24.565 2.652 -14.942 1.00 35.23 O ATOM 1225 CB TRP A 84 -23.178 0.256 -15.189 1.00 33.02 C ATOM 1226 CG TRP A 84 -22.537 -0.955 -15.800 1.00 2.54 C ATOM 1227 CD1 TRP A 84 -21.473 -1.650 -15.328 1.00 22.30 C ATOM 1228 CD2 TRP A 84 -22.921 -1.628 -17.016 1.00 74.04 C ATOM 1229 NE1 TRP A 84 -21.150 -2.694 -16.140 1.00 72.02 N ATOM 1230 CE2 TRP A 84 -22.024 -2.723 -17.193 1.00 21.41 C ATOM 1231 CE3 TRP A 84 -23.940 -1.424 -17.970 1.00 70.33 C ATOM 1232 CZ2 TRP A 84 -22.115 -3.608 -18.287 1.00 2.24 C ATOM 1233 CZ3 TRP A 84 -24.037 -2.314 -19.075 1.00 72.14 C ATOM 1234 CH2 TRP A 84 -23.120 -3.398 -19.217 1.00 44.34 C ATOM 0 H TRP A 84 -20.426 1.491 -15.862 1.00 21.00 H new ATOM 0 HA TRP A 84 -22.470 1.600 -16.724 1.00 45.42 H new ATOM 0 HB2 TRP A 84 -23.125 0.180 -14.103 1.00 33.02 H new ATOM 0 HB3 TRP A 84 -24.235 0.276 -15.456 1.00 33.02 H new ATOM 0 HD1 TRP A 84 -20.945 -1.405 -14.418 1.00 22.30 H new ATOM 0 HE1 TRP A 84 -20.382 -3.348 -15.988 1.00 72.02 H new ATOM 0 HE3 TRP A 84 -24.636 -0.605 -17.863 1.00 70.33 H new ATOM 0 HZ2 TRP A 84 -21.420 -4.427 -18.397 1.00 2.24 H new ATOM 0 HZ3 TRP A 84 -24.812 -2.168 -19.813 1.00 72.14 H new ATOM 0 HH2 TRP A 84 -23.211 -4.065 -20.062 1.00 44.34 H new ATOM 1245 N SER A 85 -22.729 3.923 -15.058 1.00 75.53 N ATOM 1246 CA SER A 85 -23.398 5.106 -14.533 1.00 54.11 C ATOM 1247 C SER A 85 -24.520 5.597 -15.433 1.00 11.21 C ATOM 1248 O SER A 85 -24.310 5.855 -16.619 1.00 35.31 O ATOM 1249 CB SER A 85 -22.399 6.237 -14.374 1.00 61.45 C ATOM 1250 OG SER A 85 -21.269 5.825 -13.626 1.00 11.24 O ATOM 0 H SER A 85 -21.749 4.065 -15.304 1.00 75.53 H new ATOM 0 HA SER A 85 -23.827 4.816 -13.574 1.00 54.11 H new ATOM 0 HB2 SER A 85 -22.080 6.584 -15.357 1.00 61.45 H new ATOM 0 HB3 SER A 85 -22.878 7.081 -13.878 1.00 61.45 H new ATOM 0 HG SER A 85 -21.189 6.380 -12.822 1.00 11.24 H new ATOM 1256 N HIS A 86 -25.692 5.781 -14.848 1.00 34.42 N ATOM 1257 CA HIS A 86 -26.839 6.319 -15.567 1.00 43.31 C ATOM 1258 C HIS A 86 -26.533 7.751 -16.031 1.00 34.31 C ATOM 1259 O HIS A 86 -25.747 8.464 -15.385 1.00 43.01 O ATOM 1260 CB HIS A 86 -28.061 6.326 -14.643 1.00 55.44 C ATOM 1261 CG HIS A 86 -28.200 5.081 -13.825 1.00 34.42 C ATOM 1262 ND1 HIS A 86 -28.366 3.821 -14.345 1.00 52.34 N ATOM 1263 CD2 HIS A 86 -28.181 4.906 -12.474 1.00 73.44 C ATOM 1264 CE1 HIS A 86 -28.430 2.960 -13.332 1.00 31.11 C ATOM 1265 NE2 HIS A 86 -28.327 3.568 -12.169 1.00 52.21 N ATOM 0 H HIS A 86 -25.876 5.564 -13.869 1.00 34.42 H new ATOM 0 HA HIS A 86 -27.046 5.697 -16.438 1.00 43.31 H new ATOM 0 HB2 HIS A 86 -27.996 7.185 -13.975 1.00 55.44 H new ATOM 0 HB3 HIS A 86 -28.960 6.458 -15.245 1.00 55.44 H new ATOM 0 HD2 HIS A 86 -28.068 5.698 -11.748 1.00 73.44 H new ATOM 0 HE1 HIS A 86 -28.552 1.893 -13.450 1.00 31.11 H new ATOM 0 HE2 HIS A 86 -28.350 3.142 -11.242 1.00 52.21 H new ATOM 1273 N PRO A 87 -27.138 8.195 -17.148 1.00 64.30 N ATOM 1274 CA PRO A 87 -26.852 9.575 -17.551 1.00 1.45 C ATOM 1275 C PRO A 87 -27.551 10.581 -16.639 1.00 63.41 C ATOM 1276 O PRO A 87 -28.564 10.277 -16.026 1.00 1.15 O ATOM 1277 CB PRO A 87 -27.414 9.636 -18.972 1.00 23.45 C ATOM 1278 CG PRO A 87 -28.558 8.690 -18.944 1.00 15.45 C ATOM 1279 CD PRO A 87 -28.082 7.545 -18.080 1.00 53.44 C ATOM 0 HA PRO A 87 -25.793 9.827 -17.492 1.00 1.45 H new ATOM 0 HB2 PRO A 87 -27.736 10.645 -19.231 1.00 23.45 H new ATOM 0 HB3 PRO A 87 -26.668 9.340 -19.710 1.00 23.45 H new ATOM 0 HG2 PRO A 87 -29.450 9.158 -18.527 1.00 15.45 H new ATOM 0 HG3 PRO A 87 -28.816 8.350 -19.947 1.00 15.45 H new ATOM 0 HD2 PRO A 87 -28.908 7.070 -17.550 1.00 53.44 H new ATOM 0 HD3 PRO A 87 -27.595 6.770 -18.671 1.00 53.44 H new ATOM 1287 N GLN A 88 -27.010 11.790 -16.560 1.00 33.33 N ATOM 1288 CA GLN A 88 -27.618 12.836 -15.737 1.00 33.01 C ATOM 1289 C GLN A 88 -28.829 13.451 -16.445 1.00 72.13 C ATOM 1290 O GLN A 88 -29.653 14.110 -15.826 1.00 21.11 O ATOM 1291 CB GLN A 88 -26.584 13.926 -15.413 1.00 23.53 C ATOM 1292 CG GLN A 88 -26.141 14.769 -16.616 1.00 2.14 C ATOM 1293 CD GLN A 88 -25.041 15.744 -16.261 1.00 55.14 C ATOM 1294 OE1 GLN A 88 -23.880 15.376 -16.165 1.00 13.12 O ATOM 1295 NE2 GLN A 88 -25.397 16.987 -16.077 1.00 50.35 N ATOM 0 H GLN A 88 -26.160 12.072 -17.049 1.00 33.33 H new ATOM 0 HA GLN A 88 -27.959 12.383 -14.806 1.00 33.01 H new ATOM 0 HB2 GLN A 88 -27.001 14.590 -14.656 1.00 23.53 H new ATOM 0 HB3 GLN A 88 -25.705 13.454 -14.974 1.00 23.53 H new ATOM 0 HG2 GLN A 88 -25.795 14.109 -17.412 1.00 2.14 H new ATOM 0 HG3 GLN A 88 -26.998 15.318 -17.007 1.00 2.14 H new ATOM 0 HE21 GLN A 88 -26.377 17.255 -16.166 1.00 50.35 H new ATOM 0 HE22 GLN A 88 -24.695 17.689 -15.844 1.00 50.35 H new ATOM 1304 N PHE A 89 -28.873 13.293 -17.762 1.00 32.22 N ATOM 1305 CA PHE A 89 -29.954 13.819 -18.587 1.00 3.30 C ATOM 1306 C PHE A 89 -30.749 12.667 -19.196 1.00 0.25 C ATOM 1307 O PHE A 89 -30.157 11.737 -19.744 1.00 73.41 O ATOM 1308 CB PHE A 89 -29.361 14.711 -19.682 1.00 24.13 C ATOM 1309 CG PHE A 89 -30.392 15.385 -20.542 1.00 43.11 C ATOM 1310 CD1 PHE A 89 -31.237 16.375 -20.002 1.00 42.14 C ATOM 1311 CD2 PHE A 89 -30.518 15.047 -21.903 1.00 14.32 C ATOM 1312 CE1 PHE A 89 -32.203 17.023 -20.812 1.00 11.55 C ATOM 1313 CE2 PHE A 89 -31.479 15.692 -22.725 1.00 65.52 C ATOM 1314 CZ PHE A 89 -32.321 16.680 -22.176 1.00 35.32 C ATOM 0 H PHE A 89 -28.157 12.794 -18.290 1.00 32.22 H new ATOM 0 HA PHE A 89 -30.632 14.414 -17.975 1.00 3.30 H new ATOM 0 HB2 PHE A 89 -28.735 15.473 -19.217 1.00 24.13 H new ATOM 0 HB3 PHE A 89 -28.711 14.108 -20.316 1.00 24.13 H new ATOM 0 HD1 PHE A 89 -31.148 16.643 -18.960 1.00 42.14 H new ATOM 0 HD2 PHE A 89 -29.876 14.288 -22.326 1.00 14.32 H new ATOM 0 HE1 PHE A 89 -32.848 17.778 -20.386 1.00 11.55 H new ATOM 0 HE2 PHE A 89 -31.565 15.426 -23.768 1.00 65.52 H new ATOM 0 HZ PHE A 89 -33.054 17.173 -22.797 1.00 35.32 H new ATOM 1324 N GLU A 90 -32.069 12.745 -19.137 1.00 53.03 N ATOM 1325 CA GLU A 90 -32.929 11.771 -19.808 1.00 24.02 C ATOM 1326 C GLU A 90 -33.269 12.372 -21.171 1.00 71.44 C ATOM 1327 O GLU A 90 -33.279 13.589 -21.323 1.00 73.33 O ATOM 1328 CB GLU A 90 -34.185 11.487 -18.980 1.00 22.23 C ATOM 1329 CG GLU A 90 -34.998 10.303 -19.497 1.00 11.22 C ATOM 1330 CD GLU A 90 -36.066 9.862 -18.510 1.00 73.41 C ATOM 1331 OE1 GLU A 90 -36.876 10.710 -18.078 1.00 32.10 O ATOM 1332 OE2 GLU A 90 -36.081 8.663 -18.151 1.00 50.52 O ATOM 0 H GLU A 90 -32.573 13.473 -18.631 1.00 53.03 H new ATOM 0 HA GLU A 90 -32.429 10.810 -19.926 1.00 24.02 H new ATOM 0 HB2 GLU A 90 -33.894 11.295 -17.947 1.00 22.23 H new ATOM 0 HB3 GLU A 90 -34.816 12.376 -18.974 1.00 22.23 H new ATOM 0 HG2 GLU A 90 -35.469 10.574 -20.442 1.00 11.22 H new ATOM 0 HG3 GLU A 90 -34.329 9.467 -19.702 1.00 11.22 H new ATOM 1339 N LYS A 91 -33.464 11.520 -22.165 1.00 21.42 N ATOM 1340 CA LYS A 91 -33.652 11.940 -23.553 1.00 64.52 C ATOM 1341 C LYS A 91 -34.683 11.015 -24.173 1.00 0.35 C ATOM 1342 O LYS A 91 -35.007 11.142 -25.369 1.00 20.34 O ATOM 1343 CB LYS A 91 -32.295 11.888 -24.299 1.00 21.54 C ATOM 1344 CG LYS A 91 -31.913 10.544 -25.000 1.00 55.23 C ATOM 1345 CD LYS A 91 -31.870 9.296 -24.089 1.00 1.21 C ATOM 1346 CE LYS A 91 -32.371 8.062 -24.850 1.00 74.21 C ATOM 1347 NZ LYS A 91 -33.853 8.184 -25.138 1.00 61.42 N ATOM 0 H LYS A 91 -33.497 10.509 -22.035 1.00 21.42 H new ATOM 0 HA LYS A 91 -34.011 12.967 -23.618 1.00 64.52 H new ATOM 0 HB2 LYS A 91 -32.295 12.674 -25.054 1.00 21.54 H new ATOM 0 HB3 LYS A 91 -31.508 12.132 -23.585 1.00 21.54 H new ATOM 0 HG2 LYS A 91 -32.627 10.360 -25.803 1.00 55.23 H new ATOM 0 HG3 LYS A 91 -30.935 10.664 -25.465 1.00 55.23 H new ATOM 0 HD2 LYS A 91 -30.851 9.127 -23.740 1.00 1.21 H new ATOM 0 HD3 LYS A 91 -32.486 9.461 -23.205 1.00 1.21 H new ATOM 0 HE2 LYS A 91 -31.820 7.955 -25.784 1.00 74.21 H new ATOM 0 HE3 LYS A 91 -32.181 7.163 -24.263 1.00 74.21 H new ATOM 0 HZ1 LYS A 91 -34.198 7.299 -25.562 1.00 61.42 H new ATOM 0 HZ2 LYS A 91 -34.365 8.366 -24.251 1.00 61.42 H new ATOM 0 HZ3 LYS A 91 -34.015 8.971 -25.799 1.00 61.42 H new TER 1361 LYS A 91