USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 845 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 Single : A 4 THR OG1 : rot -31:sc= 0.0699 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 11 MET CE :methyl 167:sc= 0 (180deg=-0.249) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -114:sc= -0.279 (180deg=-3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= -0.52 (180deg=-0.621) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.0278 K(o=-0.028,f=-0.53) USER MOD Single : A 30 THR OG1 : rot -113:sc= 0.224 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0.0436 USER MOD Single : A 42 GLN : amide:sc=-0.00438 X(o=-0.0044,f=-0.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0031 USER MOD Single : A 54 SER OG : rot -22:sc= 0.652 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.31) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0114 X(o=-0.011,f=-0.16) USER MOD Single : A 64 SER OG : rot 55:sc= 0.0575 USER MOD Single : A 66 THR OG1 : rot -48:sc= 0.748 USER MOD Single : A 67 ASN : amide:sc= -1.02 K(o=-1,f=-1.8) USER MOD Single : A 78 SER OG : rot -74:sc= 0.982 USER MOD Single : A 79 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.266) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HE2:sc=0.000659 X(o=0.00066,f=-0.07) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot -140:sc= -1.01 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 4 0.862 -8.337 0.170 1.00 21.12 N ATOM 39 CA THR A 4 1.114 -9.766 0.309 1.00 42.21 C ATOM 40 C THR A 4 0.616 -10.284 1.653 1.00 74.32 C ATOM 41 O THR A 4 1.245 -11.143 2.271 1.00 61.13 O ATOM 42 CB THR A 4 2.614 -10.087 0.172 1.00 64.40 C ATOM 43 OG1 THR A 4 3.361 -9.372 1.162 1.00 2.14 O ATOM 44 CG2 THR A 4 3.122 -9.722 -1.215 1.00 32.31 C ATOM 0 HA THR A 4 0.568 -10.263 -0.493 1.00 42.21 H new ATOM 0 HB THR A 4 2.748 -11.159 0.320 1.00 64.40 H new ATOM 0 HG1 THR A 4 2.911 -8.525 1.362 1.00 2.14 H new ATOM 0 HG21 THR A 4 4.184 -9.958 -1.287 1.00 32.31 H new ATOM 0 HG22 THR A 4 2.572 -10.290 -1.965 1.00 32.31 H new ATOM 0 HG23 THR A 4 2.975 -8.656 -1.388 1.00 32.31 H new ATOM 52 N VAL A 5 -0.520 -9.758 2.101 1.00 41.32 N ATOM 53 CA VAL A 5 -1.104 -10.169 3.372 1.00 73.14 C ATOM 54 C VAL A 5 -2.517 -9.619 3.530 1.00 34.12 C ATOM 55 O VAL A 5 -2.738 -8.411 3.442 1.00 4.41 O ATOM 56 CB VAL A 5 -0.246 -9.701 4.562 1.00 53.52 C ATOM 57 CG1 VAL A 5 -0.055 -8.192 4.521 1.00 32.14 C ATOM 58 CG2 VAL A 5 -0.879 -10.131 5.876 1.00 32.04 C ATOM 0 H VAL A 5 -1.054 -9.046 1.602 1.00 41.32 H new ATOM 0 HA VAL A 5 -1.140 -11.258 3.367 1.00 73.14 H new ATOM 0 HB VAL A 5 0.735 -10.170 4.487 1.00 53.52 H new ATOM 0 HG11 VAL A 5 0.554 -7.879 5.369 1.00 32.14 H new ATOM 0 HG12 VAL A 5 0.445 -7.914 3.593 1.00 32.14 H new ATOM 0 HG13 VAL A 5 -1.027 -7.701 4.571 1.00 32.14 H new ATOM 0 HG21 VAL A 5 -0.260 -9.792 6.706 1.00 32.04 H new ATOM 0 HG22 VAL A 5 -1.873 -9.692 5.962 1.00 32.04 H new ATOM 0 HG23 VAL A 5 -0.959 -11.218 5.903 1.00 32.04 H new ATOM 68 N CYS A 6 -3.471 -10.513 3.765 1.00 72.32 N ATOM 69 CA CYS A 6 -4.865 -10.118 3.936 1.00 43.22 C ATOM 70 C CYS A 6 -5.318 -10.333 5.376 1.00 74.41 C ATOM 71 O CYS A 6 -5.397 -11.467 5.851 1.00 1.11 O ATOM 72 CB CYS A 6 -5.762 -10.908 2.982 1.00 64.20 C ATOM 73 SG CYS A 6 -5.762 -10.287 1.284 1.00 70.01 S ATOM 0 H CYS A 6 -3.305 -11.516 3.842 1.00 72.32 H new ATOM 0 HA CYS A 6 -4.947 -9.056 3.703 1.00 43.22 H new ATOM 0 HB2 CYS A 6 -5.440 -11.949 2.977 1.00 64.20 H new ATOM 0 HB3 CYS A 6 -6.783 -10.892 3.363 1.00 64.20 H new ATOM 0 HG CYS A 6 -6.548 -11.021 0.553 1.00 70.01 H new ATOM 79 N THR A 7 -5.615 -9.238 6.068 1.00 41.31 N ATOM 80 CA THR A 7 -6.058 -9.306 7.455 1.00 62.13 C ATOM 81 C THR A 7 -7.563 -9.531 7.541 1.00 51.42 C ATOM 82 O THR A 7 -8.312 -9.131 6.648 1.00 25.13 O ATOM 83 CB THR A 7 -5.697 -8.021 8.224 1.00 71.03 C ATOM 84 OG1 THR A 7 -4.905 -7.161 7.397 1.00 74.14 O ATOM 85 CG2 THR A 7 -4.935 -8.349 9.499 1.00 70.23 C ATOM 0 H THR A 7 -5.557 -8.292 5.690 1.00 41.31 H new ATOM 0 HA THR A 7 -5.541 -10.150 7.911 1.00 62.13 H new ATOM 0 HB THR A 7 -6.623 -7.513 8.494 1.00 71.03 H new ATOM 0 HG1 THR A 7 -4.681 -6.346 7.893 1.00 74.14 H new ATOM 0 HG21 THR A 7 -4.691 -7.426 10.025 1.00 70.23 H new ATOM 0 HG22 THR A 7 -5.552 -8.979 10.140 1.00 70.23 H new ATOM 0 HG23 THR A 7 -4.015 -8.877 9.248 1.00 70.23 H new ATOM 93 N ILE A 8 -8.000 -10.171 8.620 1.00 73.13 N ATOM 94 CA ILE A 8 -9.417 -10.447 8.822 1.00 12.41 C ATOM 95 C ILE A 8 -9.887 -9.941 10.182 1.00 62.00 C ATOM 96 O ILE A 8 -9.156 -9.239 10.881 1.00 73.14 O ATOM 97 CB ILE A 8 -9.719 -11.953 8.715 1.00 23.10 C ATOM 98 CG1 ILE A 8 -8.416 -12.751 8.627 1.00 72.14 C ATOM 99 CG2 ILE A 8 -10.600 -12.232 7.507 1.00 73.31 C ATOM 100 CD1 ILE A 8 -7.764 -12.694 7.263 1.00 73.52 C ATOM 0 H ILE A 8 -7.394 -10.508 9.368 1.00 73.13 H new ATOM 0 HA ILE A 8 -9.956 -9.920 8.034 1.00 12.41 H new ATOM 0 HB ILE A 8 -10.255 -12.266 9.611 1.00 23.10 H new ATOM 0 HG12 ILE A 8 -7.716 -12.372 9.372 1.00 72.14 H new ATOM 0 HG13 ILE A 8 -8.619 -13.791 8.881 1.00 72.14 H new ATOM 0 HG21 ILE A 8 -10.805 -13.301 7.445 1.00 73.31 H new ATOM 0 HG22 ILE A 8 -11.539 -11.688 7.608 1.00 73.31 H new ATOM 0 HG23 ILE A 8 -10.088 -11.907 6.601 1.00 73.31 H new ATOM 0 HD11 ILE A 8 -6.846 -13.281 7.274 1.00 73.52 H new ATOM 0 HD12 ILE A 8 -8.446 -13.101 6.516 1.00 73.52 H new ATOM 0 HD13 ILE A 8 -7.530 -11.659 7.015 1.00 73.52 H new ATOM 112 N ALA A 9 -11.110 -10.304 10.552 1.00 75.31 N ATOM 113 CA ALA A 9 -11.676 -9.891 11.830 1.00 54.01 C ATOM 114 C ALA A 9 -10.666 -10.063 12.959 1.00 32.32 C ATOM 115 O ALA A 9 -10.455 -9.153 13.760 1.00 3.50 O ATOM 116 CB ALA A 9 -12.942 -10.681 12.127 1.00 55.03 C ATOM 0 H ALA A 9 -11.728 -10.884 9.985 1.00 75.31 H new ATOM 0 HA ALA A 9 -11.929 -8.833 11.762 1.00 54.01 H new ATOM 0 HB1 ALA A 9 -13.354 -10.362 13.085 1.00 55.03 H new ATOM 0 HB2 ALA A 9 -13.675 -10.504 11.340 1.00 55.03 H new ATOM 0 HB3 ALA A 9 -12.706 -11.744 12.170 1.00 55.03 H new ATOM 122 N ASP A 10 -10.046 -11.237 13.018 1.00 42.54 N ATOM 123 CA ASP A 10 -9.057 -11.528 14.049 1.00 31.01 C ATOM 124 C ASP A 10 -8.081 -12.601 13.578 1.00 24.31 C ATOM 125 O ASP A 10 -7.954 -13.655 14.201 1.00 63.01 O ATOM 126 CB ASP A 10 -9.749 -11.980 15.336 1.00 73.11 C ATOM 127 CG ASP A 10 -10.706 -10.936 15.876 1.00 1.53 C ATOM 128 OD1 ASP A 10 -10.237 -9.991 16.545 1.00 64.03 O ATOM 129 OD2 ASP A 10 -11.924 -11.063 15.632 1.00 72.03 O ATOM 0 H ASP A 10 -10.211 -12.002 12.364 1.00 42.54 H new ATOM 0 HA ASP A 10 -8.496 -10.615 14.248 1.00 31.01 H new ATOM 0 HB2 ASP A 10 -10.294 -12.905 15.147 1.00 73.11 H new ATOM 0 HB3 ASP A 10 -8.995 -12.203 16.091 1.00 73.11 H new ATOM 134 N MET A 11 -7.394 -12.326 12.474 1.00 0.10 N ATOM 135 CA MET A 11 -6.429 -13.268 11.920 1.00 61.22 C ATOM 136 C MET A 11 -5.590 -12.609 10.830 1.00 44.11 C ATOM 137 O MET A 11 -5.883 -11.495 10.394 1.00 63.00 O ATOM 138 CB MET A 11 -7.148 -14.494 11.354 1.00 31.43 C ATOM 139 CG MET A 11 -6.345 -15.780 11.476 1.00 14.50 C ATOM 140 SD MET A 11 -7.391 -17.246 11.563 1.00 50.14 S ATOM 141 CE MET A 11 -8.420 -17.014 10.115 1.00 63.23 C ATOM 0 H MET A 11 -7.488 -11.459 11.946 1.00 0.10 H new ATOM 0 HA MET A 11 -5.765 -13.584 12.724 1.00 61.22 H new ATOM 0 HB2 MET A 11 -8.099 -14.619 11.872 1.00 31.43 H new ATOM 0 HB3 MET A 11 -7.378 -14.317 10.303 1.00 31.43 H new ATOM 0 HG2 MET A 11 -5.674 -15.867 10.621 1.00 14.50 H new ATOM 0 HG3 MET A 11 -5.720 -15.731 12.368 1.00 14.50 H new ATOM 0 HE1 MET A 11 -8.957 -17.938 9.898 1.00 63.23 H new ATOM 0 HE2 MET A 11 -9.136 -16.214 10.302 1.00 63.23 H new ATOM 0 HE3 MET A 11 -7.794 -16.749 9.263 1.00 63.23 H new ATOM 151 N THR A 12 -4.543 -13.303 10.393 1.00 35.50 N ATOM 152 CA THR A 12 -3.661 -12.785 9.355 1.00 12.14 C ATOM 153 C THR A 12 -3.357 -13.851 8.309 1.00 3.12 C ATOM 154 O THR A 12 -2.542 -14.745 8.538 1.00 34.45 O ATOM 155 CB THR A 12 -2.336 -12.272 9.950 1.00 40.32 C ATOM 156 OG1 THR A 12 -2.598 -11.446 11.090 1.00 24.43 O ATOM 157 CG2 THR A 12 -1.549 -11.481 8.915 1.00 31.33 C ATOM 0 H THR A 12 -4.286 -14.226 10.743 1.00 35.50 H new ATOM 0 HA THR A 12 -4.184 -11.954 8.881 1.00 12.14 H new ATOM 0 HB THR A 12 -1.742 -13.134 10.255 1.00 40.32 H new ATOM 0 HG1 THR A 12 -1.751 -11.125 11.463 1.00 24.43 H new ATOM 0 HG21 THR A 12 -0.617 -11.129 9.358 1.00 31.33 H new ATOM 0 HG22 THR A 12 -1.326 -12.120 8.061 1.00 31.33 H new ATOM 0 HG23 THR A 12 -2.139 -10.627 8.584 1.00 31.33 H new ATOM 165 N VAL A 13 -4.015 -13.750 7.159 1.00 52.10 N ATOM 166 CA VAL A 13 -3.813 -14.705 6.076 1.00 53.10 C ATOM 167 C VAL A 13 -2.707 -14.242 5.134 1.00 33.22 C ATOM 168 O VAL A 13 -2.615 -13.060 4.802 1.00 23.24 O ATOM 169 CB VAL A 13 -5.106 -14.917 5.266 1.00 33.25 C ATOM 170 CG1 VAL A 13 -4.870 -15.902 4.131 1.00 12.42 C ATOM 171 CG2 VAL A 13 -6.230 -15.396 6.174 1.00 64.34 C ATOM 0 H VAL A 13 -4.693 -13.016 6.953 1.00 52.10 H new ATOM 0 HA VAL A 13 -3.523 -15.649 6.537 1.00 53.10 H new ATOM 0 HB VAL A 13 -5.402 -13.963 4.831 1.00 33.25 H new ATOM 0 HG11 VAL A 13 -5.794 -16.039 3.570 1.00 12.42 H new ATOM 0 HG12 VAL A 13 -4.097 -15.514 3.467 1.00 12.42 H new ATOM 0 HG13 VAL A 13 -4.549 -16.860 4.541 1.00 12.42 H new ATOM 0 HG21 VAL A 13 -7.136 -15.541 5.586 1.00 64.34 H new ATOM 0 HG22 VAL A 13 -5.945 -16.340 6.639 1.00 64.34 H new ATOM 0 HG23 VAL A 13 -6.415 -14.651 6.948 1.00 64.34 H new ATOM 181 N ASP A 14 -1.871 -15.181 4.707 1.00 62.34 N ATOM 182 CA ASP A 14 -0.771 -14.871 3.801 1.00 42.41 C ATOM 183 C ASP A 14 -1.060 -15.390 2.396 1.00 34.01 C ATOM 184 O ASP A 14 -1.328 -16.576 2.205 1.00 24.03 O ATOM 185 CB ASP A 14 0.534 -15.475 4.323 1.00 52.24 C ATOM 186 CG ASP A 14 1.625 -14.436 4.493 1.00 21.43 C ATOM 187 OD1 ASP A 14 1.309 -13.308 4.925 1.00 54.20 O ATOM 188 OD2 ASP A 14 2.796 -14.753 4.196 1.00 11.51 O ATOM 0 H ASP A 14 -1.934 -16.164 4.973 1.00 62.34 H new ATOM 0 HA ASP A 14 -0.667 -13.787 3.754 1.00 42.41 H new ATOM 0 HB2 ASP A 14 0.348 -15.963 5.280 1.00 52.24 H new ATOM 0 HB3 ASP A 14 0.875 -16.247 3.633 1.00 52.24 H new ATOM 193 N MET A 15 -1.006 -14.494 1.416 1.00 13.44 N ATOM 194 CA MET A 15 -1.263 -14.862 0.029 1.00 63.11 C ATOM 195 C MET A 15 -0.006 -15.427 -0.625 1.00 23.22 C ATOM 196 O MET A 15 -0.064 -16.000 -1.713 1.00 22.32 O ATOM 197 CB MET A 15 -1.761 -13.649 -0.760 1.00 25.24 C ATOM 198 CG MET A 15 -0.741 -12.526 -0.854 1.00 12.53 C ATOM 199 SD MET A 15 -0.675 -11.784 -2.496 1.00 0.53 S ATOM 200 CE MET A 15 0.424 -12.920 -3.337 1.00 23.31 C ATOM 0 H MET A 15 -0.787 -13.508 1.557 1.00 13.44 H new ATOM 0 HA MET A 15 -2.034 -15.633 0.021 1.00 63.11 H new ATOM 0 HB2 MET A 15 -2.033 -13.967 -1.766 1.00 25.24 H new ATOM 0 HB3 MET A 15 -2.668 -13.267 -0.290 1.00 25.24 H new ATOM 0 HG2 MET A 15 -0.985 -11.757 -0.121 1.00 12.53 H new ATOM 0 HG3 MET A 15 0.244 -12.913 -0.594 1.00 12.53 H new ATOM 0 HE1 MET A 15 1.351 -12.407 -3.594 1.00 23.31 H new ATOM 0 HE2 MET A 15 0.646 -13.763 -2.683 1.00 23.31 H new ATOM 0 HE3 MET A 15 -0.054 -13.283 -4.247 1.00 23.31 H new ATOM 210 N VAL A 16 1.130 -15.262 0.046 1.00 42.34 N ATOM 211 CA VAL A 16 2.401 -15.756 -0.470 1.00 22.10 C ATOM 212 C VAL A 16 2.863 -16.990 0.297 1.00 11.12 C ATOM 213 O VAL A 16 3.535 -17.861 -0.255 1.00 32.31 O ATOM 214 CB VAL A 16 3.497 -14.676 -0.391 1.00 71.43 C ATOM 215 CG1 VAL A 16 3.240 -13.579 -1.413 1.00 32.02 C ATOM 216 CG2 VAL A 16 3.576 -14.100 1.014 1.00 3.12 C ATOM 0 H VAL A 16 1.196 -14.790 0.948 1.00 42.34 H new ATOM 0 HA VAL A 16 2.237 -16.021 -1.515 1.00 22.10 H new ATOM 0 HB VAL A 16 4.456 -15.138 -0.624 1.00 71.43 H new ATOM 0 HG11 VAL A 16 4.024 -12.825 -1.343 1.00 32.02 H new ATOM 0 HG12 VAL A 16 3.238 -14.008 -2.415 1.00 32.02 H new ATOM 0 HG13 VAL A 16 2.273 -13.116 -1.215 1.00 32.02 H new ATOM 0 HG21 VAL A 16 4.355 -13.339 1.052 1.00 3.12 H new ATOM 0 HG22 VAL A 16 2.618 -13.652 1.278 1.00 3.12 H new ATOM 0 HG23 VAL A 16 3.812 -14.896 1.721 1.00 3.12 H new ATOM 226 N ARG A 17 2.498 -17.058 1.573 1.00 15.42 N ATOM 227 CA ARG A 17 2.875 -18.185 2.417 1.00 12.13 C ATOM 228 C ARG A 17 1.701 -19.143 2.602 1.00 44.34 C ATOM 229 O ARG A 17 1.883 -20.294 2.999 1.00 3.52 O ATOM 230 CB ARG A 17 3.361 -17.689 3.780 1.00 10.32 C ATOM 231 CG ARG A 17 4.668 -16.916 3.716 1.00 1.31 C ATOM 232 CD ARG A 17 5.867 -17.851 3.674 1.00 13.40 C ATOM 233 NE ARG A 17 7.103 -17.172 4.053 1.00 24.51 N ATOM 234 CZ ARG A 17 8.234 -17.810 4.337 1.00 13.12 C ATOM 235 NH1 ARG A 17 8.283 -19.134 4.285 1.00 42.21 N ATOM 236 NH2 ARG A 17 9.318 -17.123 4.674 1.00 14.31 N ATOM 0 H ARG A 17 1.941 -16.345 2.045 1.00 15.42 H new ATOM 0 HA ARG A 17 3.685 -18.721 1.923 1.00 12.13 H new ATOM 0 HB2 ARG A 17 2.593 -17.053 4.220 1.00 10.32 H new ATOM 0 HB3 ARG A 17 3.486 -18.544 4.445 1.00 10.32 H new ATOM 0 HG2 ARG A 17 4.672 -16.278 2.832 1.00 1.31 H new ATOM 0 HG3 ARG A 17 4.747 -16.260 4.583 1.00 1.31 H new ATOM 0 HD2 ARG A 17 5.695 -18.692 4.346 1.00 13.40 H new ATOM 0 HD3 ARG A 17 5.972 -18.261 2.670 1.00 13.40 H new ATOM 0 HE ARG A 17 7.098 -16.153 4.102 1.00 24.51 H new ATOM 0 HH11 ARG A 17 7.452 -19.665 4.027 1.00 42.21 H new ATOM 0 HH12 ARG A 17 9.152 -19.621 4.503 1.00 42.21 H new ATOM 0 HH21 ARG A 17 9.284 -16.104 4.715 1.00 14.31 H new ATOM 0 HH22 ARG A 17 10.185 -17.613 4.892 1.00 14.31 H new ATOM 250 N ARG A 18 0.498 -18.659 2.311 1.00 62.14 N ATOM 251 CA ARG A 18 -0.705 -19.471 2.446 1.00 61.40 C ATOM 252 C ARG A 18 -0.849 -19.997 3.871 1.00 4.23 C ATOM 253 O ARG A 18 -0.984 -21.201 4.091 1.00 71.03 O ATOM 254 CB ARG A 18 -0.670 -20.641 1.461 1.00 65.30 C ATOM 255 CG ARG A 18 -0.948 -20.235 0.023 1.00 64.41 C ATOM 256 CD ARG A 18 0.324 -19.801 -0.689 1.00 51.21 C ATOM 257 NE ARG A 18 1.235 -20.920 -0.913 1.00 44.41 N ATOM 258 CZ ARG A 18 2.333 -20.835 -1.656 1.00 25.50 C ATOM 259 NH1 ARG A 18 2.655 -19.691 -2.243 1.00 12.22 N ATOM 260 NH2 ARG A 18 3.113 -21.898 -1.813 1.00 10.24 N ATOM 0 H ARG A 18 0.331 -17.709 1.980 1.00 62.14 H new ATOM 0 HA ARG A 18 -1.565 -18.841 2.221 1.00 61.40 H new ATOM 0 HB2 ARG A 18 0.308 -21.119 1.512 1.00 65.30 H new ATOM 0 HB3 ARG A 18 -1.405 -21.385 1.768 1.00 65.30 H new ATOM 0 HG2 ARG A 18 -1.398 -21.071 -0.512 1.00 64.41 H new ATOM 0 HG3 ARG A 18 -1.671 -19.420 0.007 1.00 64.41 H new ATOM 0 HD2 ARG A 18 0.067 -19.346 -1.646 1.00 51.21 H new ATOM 0 HD3 ARG A 18 0.828 -19.036 -0.098 1.00 51.21 H new ATOM 0 HE ARG A 18 1.017 -21.815 -0.475 1.00 44.41 H new ATOM 0 HH11 ARG A 18 2.059 -18.872 -2.125 1.00 12.22 H new ATOM 0 HH12 ARG A 18 3.499 -19.630 -2.813 1.00 12.22 H new ATOM 0 HH21 ARG A 18 2.869 -22.780 -1.363 1.00 10.24 H new ATOM 0 HH22 ARG A 18 3.956 -21.832 -2.384 1.00 10.24 H new ATOM 274 N THR A 19 -0.818 -19.085 4.839 1.00 63.24 N ATOM 275 CA THR A 19 -0.943 -19.456 6.243 1.00 44.15 C ATOM 276 C THR A 19 -2.012 -18.621 6.939 1.00 64.34 C ATOM 277 O THR A 19 -2.617 -17.738 6.331 1.00 3.34 O ATOM 278 CB THR A 19 0.393 -19.285 6.990 1.00 44.12 C ATOM 279 OG1 THR A 19 0.631 -17.898 7.258 1.00 70.54 O ATOM 280 CG2 THR A 19 1.546 -19.854 6.176 1.00 75.14 C ATOM 0 H THR A 19 -0.707 -18.084 4.676 1.00 63.24 H new ATOM 0 HA THR A 19 -1.233 -20.506 6.268 1.00 44.15 H new ATOM 0 HB THR A 19 0.329 -19.831 7.931 1.00 44.12 H new ATOM 0 HG1 THR A 19 1.481 -17.798 7.735 1.00 70.54 H new ATOM 0 HG21 THR A 19 2.479 -19.721 6.724 1.00 75.14 H new ATOM 0 HG22 THR A 19 1.377 -20.916 5.999 1.00 75.14 H new ATOM 0 HG23 THR A 19 1.609 -19.333 5.221 1.00 75.14 H new ATOM 288 N VAL A 20 -2.239 -18.906 8.217 1.00 73.52 N ATOM 289 CA VAL A 20 -3.235 -18.180 8.996 1.00 24.45 C ATOM 290 C VAL A 20 -2.757 -17.958 10.427 1.00 31.52 C ATOM 291 O VAL A 20 -2.564 -18.912 11.183 1.00 52.44 O ATOM 292 CB VAL A 20 -4.580 -18.930 9.026 1.00 0.34 C ATOM 293 CG1 VAL A 20 -5.360 -18.678 7.745 1.00 60.30 C ATOM 294 CG2 VAL A 20 -4.355 -20.419 9.240 1.00 12.01 C ATOM 0 H VAL A 20 -1.747 -19.634 8.735 1.00 73.52 H new ATOM 0 HA VAL A 20 -3.377 -17.215 8.509 1.00 24.45 H new ATOM 0 HB VAL A 20 -5.169 -18.552 9.862 1.00 0.34 H new ATOM 0 HG11 VAL A 20 -6.307 -19.216 7.784 1.00 60.30 H new ATOM 0 HG12 VAL A 20 -5.553 -17.610 7.641 1.00 60.30 H new ATOM 0 HG13 VAL A 20 -4.780 -19.027 6.891 1.00 60.30 H new ATOM 0 HG21 VAL A 20 -5.316 -20.933 9.259 1.00 12.01 H new ATOM 0 HG22 VAL A 20 -3.747 -20.816 8.427 1.00 12.01 H new ATOM 0 HG23 VAL A 20 -3.841 -20.577 10.188 1.00 12.01 H new ATOM 304 N ILE A 21 -2.569 -16.695 10.793 1.00 64.11 N ATOM 305 CA ILE A 21 -2.115 -16.348 12.134 1.00 71.10 C ATOM 306 C ILE A 21 -3.220 -15.659 12.927 1.00 54.01 C ATOM 307 O ILE A 21 -3.599 -14.526 12.628 1.00 22.22 O ATOM 308 CB ILE A 21 -0.880 -15.429 12.090 1.00 13.43 C ATOM 309 CG1 ILE A 21 0.326 -16.184 11.529 1.00 73.23 C ATOM 310 CG2 ILE A 21 -0.574 -14.887 13.479 1.00 64.52 C ATOM 311 CD1 ILE A 21 0.378 -16.200 10.017 1.00 24.11 C ATOM 0 H ILE A 21 -2.724 -15.895 10.180 1.00 64.11 H new ATOM 0 HA ILE A 21 -1.845 -17.282 12.627 1.00 71.10 H new ATOM 0 HB ILE A 21 -1.095 -14.587 11.432 1.00 13.43 H new ATOM 0 HG12 ILE A 21 1.240 -15.729 11.911 1.00 73.23 H new ATOM 0 HG13 ILE A 21 0.304 -17.211 11.895 1.00 73.23 H new ATOM 0 HG21 ILE A 21 0.301 -14.239 13.432 1.00 64.52 H new ATOM 0 HG22 ILE A 21 -1.428 -14.317 13.843 1.00 64.52 H new ATOM 0 HG23 ILE A 21 -0.375 -15.717 14.158 1.00 64.52 H new ATOM 0 HD11 ILE A 21 1.259 -16.752 9.689 1.00 24.11 H new ATOM 0 HD12 ILE A 21 -0.519 -16.682 9.627 1.00 24.11 H new ATOM 0 HD13 ILE A 21 0.431 -15.177 9.644 1.00 24.11 H new ATOM 323 N ARG A 22 -3.733 -16.350 13.940 1.00 10.30 N ATOM 324 CA ARG A 22 -4.795 -15.804 14.777 1.00 23.10 C ATOM 325 C ARG A 22 -4.229 -15.257 16.085 1.00 74.34 C ATOM 326 O ARG A 22 -3.613 -15.988 16.860 1.00 60.42 O ATOM 327 CB ARG A 22 -5.844 -16.878 15.072 1.00 45.00 C ATOM 328 CG ARG A 22 -5.253 -18.182 15.584 1.00 51.31 C ATOM 329 CD ARG A 22 -6.135 -18.812 16.651 1.00 40.34 C ATOM 330 NE ARG A 22 -5.350 -19.415 17.724 1.00 5.52 N ATOM 331 CZ ARG A 22 -4.836 -18.724 18.736 1.00 44.22 C ATOM 332 NH1 ARG A 22 -5.024 -17.414 18.812 1.00 42.54 N ATOM 333 NH2 ARG A 22 -4.132 -19.344 19.675 1.00 51.24 N ATOM 0 H ARG A 22 -3.431 -17.289 14.201 1.00 10.30 H new ATOM 0 HA ARG A 22 -5.267 -14.985 14.234 1.00 23.10 H new ATOM 0 HB2 ARG A 22 -6.548 -16.493 15.810 1.00 45.00 H new ATOM 0 HB3 ARG A 22 -6.412 -17.078 14.164 1.00 45.00 H new ATOM 0 HG2 ARG A 22 -5.131 -18.878 14.754 1.00 51.31 H new ATOM 0 HG3 ARG A 22 -4.260 -17.997 15.994 1.00 51.31 H new ATOM 0 HD2 ARG A 22 -6.797 -18.053 17.069 1.00 40.34 H new ATOM 0 HD3 ARG A 22 -6.769 -19.572 16.195 1.00 40.34 H new ATOM 0 HE ARG A 22 -5.187 -20.422 17.695 1.00 5.52 H new ATOM 0 HH11 ARG A 22 -5.564 -16.934 18.093 1.00 42.54 H new ATOM 0 HH12 ARG A 22 -4.628 -16.886 19.590 1.00 42.54 H new ATOM 0 HH21 ARG A 22 -3.985 -20.352 19.620 1.00 51.24 H new ATOM 0 HH22 ARG A 22 -3.738 -18.813 20.451 1.00 51.24 H new ATOM 347 N SER A 23 -4.443 -13.967 16.322 1.00 34.23 N ATOM 348 CA SER A 23 -3.952 -13.321 17.534 1.00 64.24 C ATOM 349 C SER A 23 -2.442 -13.496 17.668 1.00 41.23 C ATOM 350 O SER A 23 -1.894 -13.438 18.768 1.00 73.11 O ATOM 351 CB SER A 23 -4.654 -13.896 18.765 1.00 73.31 C ATOM 352 OG SER A 23 -5.820 -13.154 19.080 1.00 62.30 O ATOM 0 H SER A 23 -4.953 -13.349 15.691 1.00 34.23 H new ATOM 0 HA SER A 23 -4.173 -12.256 17.464 1.00 64.24 H new ATOM 0 HB2 SER A 23 -4.920 -14.937 18.583 1.00 73.31 H new ATOM 0 HB3 SER A 23 -3.972 -13.885 19.615 1.00 73.31 H new ATOM 0 HG SER A 23 -6.252 -13.542 19.869 1.00 62.30 H new ATOM 358 N GLY A 24 -1.774 -13.710 16.538 1.00 54.12 N ATOM 359 CA GLY A 24 -0.334 -13.890 16.550 1.00 54.03 C ATOM 360 C GLY A 24 0.067 -15.345 16.689 1.00 73.13 C ATOM 361 O GLY A 24 1.233 -15.655 16.931 1.00 23.32 O ATOM 0 H GLY A 24 -2.205 -13.762 15.615 1.00 54.12 H new ATOM 0 HA2 GLY A 24 0.087 -13.487 15.629 1.00 54.03 H new ATOM 0 HA3 GLY A 24 0.094 -13.318 17.373 1.00 54.03 H new ATOM 365 N LYS A 25 -0.902 -16.241 16.536 1.00 32.44 N ATOM 366 CA LYS A 25 -0.646 -17.673 16.647 1.00 44.55 C ATOM 367 C LYS A 25 -1.079 -18.402 15.379 1.00 30.21 C ATOM 368 O LYS A 25 -2.255 -18.390 15.015 1.00 71.42 O ATOM 369 CB LYS A 25 -1.380 -18.252 17.858 1.00 53.43 C ATOM 370 CG LYS A 25 -0.837 -17.763 19.189 1.00 14.33 C ATOM 371 CD LYS A 25 -1.561 -16.513 19.662 1.00 74.22 C ATOM 372 CE LYS A 25 -0.721 -15.724 20.654 1.00 35.15 C ATOM 373 NZ LYS A 25 0.527 -15.202 20.033 1.00 22.41 N ATOM 0 H LYS A 25 -1.873 -16.001 16.335 1.00 32.44 H new ATOM 0 HA LYS A 25 0.426 -17.816 16.779 1.00 44.55 H new ATOM 0 HB2 LYS A 25 -2.437 -17.994 17.789 1.00 53.43 H new ATOM 0 HB3 LYS A 25 -1.315 -19.340 17.826 1.00 53.43 H new ATOM 0 HG2 LYS A 25 -0.941 -18.550 19.936 1.00 14.33 H new ATOM 0 HG3 LYS A 25 0.228 -17.553 19.093 1.00 14.33 H new ATOM 0 HD2 LYS A 25 -1.800 -15.884 18.805 1.00 74.22 H new ATOM 0 HD3 LYS A 25 -2.507 -16.793 20.126 1.00 74.22 H new ATOM 0 HE2 LYS A 25 -1.307 -14.892 21.045 1.00 35.15 H new ATOM 0 HE3 LYS A 25 -0.466 -16.361 21.501 1.00 35.15 H new ATOM 0 HZ1 LYS A 25 0.986 -14.534 20.685 1.00 22.41 H new ATOM 0 HZ2 LYS A 25 1.173 -15.992 19.836 1.00 22.41 H new ATOM 0 HZ3 LYS A 25 0.295 -14.715 19.144 1.00 22.41 H new ATOM 387 N LYS A 26 -0.122 -19.038 14.711 1.00 13.13 N ATOM 388 CA LYS A 26 -0.405 -19.776 13.486 1.00 43.21 C ATOM 389 C LYS A 26 -1.163 -21.064 13.789 1.00 31.10 C ATOM 390 O LYS A 26 -0.798 -21.811 14.697 1.00 65.30 O ATOM 391 CB LYS A 26 0.897 -20.099 12.749 1.00 22.23 C ATOM 392 CG LYS A 26 0.684 -20.779 11.408 1.00 44.01 C ATOM 393 CD LYS A 26 2.005 -21.078 10.718 1.00 1.43 C ATOM 394 CE LYS A 26 2.525 -19.865 9.961 1.00 73.45 C ATOM 395 NZ LYS A 26 4.009 -19.878 9.845 1.00 63.33 N ATOM 0 H LYS A 26 0.857 -19.057 14.998 1.00 13.13 H new ATOM 0 HA LYS A 26 -1.030 -19.149 12.850 1.00 43.21 H new ATOM 0 HB2 LYS A 26 1.456 -19.176 12.594 1.00 22.23 H new ATOM 0 HB3 LYS A 26 1.512 -20.742 13.379 1.00 22.23 H new ATOM 0 HG2 LYS A 26 0.130 -21.707 11.553 1.00 44.01 H new ATOM 0 HG3 LYS A 26 0.075 -20.141 10.768 1.00 44.01 H new ATOM 0 HD2 LYS A 26 2.742 -21.389 11.459 1.00 1.43 H new ATOM 0 HD3 LYS A 26 1.876 -21.911 10.027 1.00 1.43 H new ATOM 0 HE2 LYS A 26 2.083 -19.842 8.965 1.00 73.45 H new ATOM 0 HE3 LYS A 26 2.209 -18.955 10.471 1.00 73.45 H new ATOM 0 HZ1 LYS A 26 4.324 -19.035 9.323 1.00 63.33 H new ATOM 0 HZ2 LYS A 26 4.432 -19.875 10.795 1.00 63.33 H new ATOM 0 HZ3 LYS A 26 4.310 -20.733 9.336 1.00 63.33 H new ATOM 409 N ILE A 27 -2.219 -21.318 13.023 1.00 24.10 N ATOM 410 CA ILE A 27 -3.026 -22.518 13.209 1.00 42.52 C ATOM 411 C ILE A 27 -2.440 -23.699 12.443 1.00 41.43 C ATOM 412 O ILE A 27 -1.898 -23.536 11.349 1.00 42.20 O ATOM 413 CB ILE A 27 -4.480 -22.294 12.752 1.00 25.11 C ATOM 414 CG1 ILE A 27 -5.118 -21.155 13.550 1.00 75.43 C ATOM 415 CG2 ILE A 27 -5.286 -23.575 12.907 1.00 12.44 C ATOM 416 CD1 ILE A 27 -5.244 -21.450 15.028 1.00 1.52 C ATOM 0 H ILE A 27 -2.536 -20.709 12.268 1.00 24.10 H new ATOM 0 HA ILE A 27 -3.019 -22.741 14.276 1.00 42.52 H new ATOM 0 HB ILE A 27 -4.477 -22.016 11.698 1.00 25.11 H new ATOM 0 HG12 ILE A 27 -4.523 -20.251 13.417 1.00 75.43 H new ATOM 0 HG13 ILE A 27 -6.108 -20.947 13.143 1.00 75.43 H new ATOM 0 HG21 ILE A 27 -6.311 -23.402 12.580 1.00 12.44 H new ATOM 0 HG22 ILE A 27 -4.839 -24.362 12.299 1.00 12.44 H new ATOM 0 HG23 ILE A 27 -5.285 -23.881 13.953 1.00 12.44 H new ATOM 0 HD11 ILE A 27 -5.704 -20.599 15.531 1.00 1.52 H new ATOM 0 HD12 ILE A 27 -5.864 -22.335 15.171 1.00 1.52 H new ATOM 0 HD13 ILE A 27 -4.255 -21.628 15.449 1.00 1.52 H new ATOM 428 N HIS A 28 -2.554 -24.889 13.023 1.00 1.14 N ATOM 429 CA HIS A 28 -2.037 -26.099 12.394 1.00 34.21 C ATOM 430 C HIS A 28 -3.126 -26.797 11.584 1.00 21.33 C ATOM 431 O HIS A 28 -4.304 -26.754 11.941 1.00 20.33 O ATOM 432 CB HIS A 28 -1.482 -27.053 13.453 1.00 53.34 C ATOM 433 CG HIS A 28 -0.700 -28.194 12.879 1.00 33.23 C ATOM 434 ND1 HIS A 28 0.100 -28.073 11.763 1.00 51.10 N ATOM 435 CD2 HIS A 28 -0.598 -29.484 13.276 1.00 63.55 C ATOM 436 CE1 HIS A 28 0.660 -29.239 11.496 1.00 34.42 C ATOM 437 NE2 HIS A 28 0.253 -30.113 12.400 1.00 51.03 N ATOM 0 H HIS A 28 -3.000 -25.042 13.928 1.00 1.14 H new ATOM 0 HA HIS A 28 -1.232 -25.812 11.717 1.00 34.21 H new ATOM 0 HB2 HIS A 28 -0.844 -26.493 14.136 1.00 53.34 H new ATOM 0 HB3 HIS A 28 -2.309 -27.450 14.042 1.00 53.34 H new ATOM 0 HD2 HIS A 28 -1.093 -29.935 14.123 1.00 63.55 H new ATOM 0 HE1 HIS A 28 1.335 -29.443 10.678 1.00 34.42 H new ATOM 0 HE2 HIS A 28 0.526 -31.095 12.441 1.00 51.03 H new ATOM 445 N LEU A 29 -2.724 -27.439 10.493 1.00 75.04 N ATOM 446 CA LEU A 29 -3.666 -28.146 9.631 1.00 23.11 C ATOM 447 C LEU A 29 -2.958 -29.233 8.828 1.00 13.11 C ATOM 448 O LEU A 29 -1.753 -29.443 8.973 1.00 54.12 O ATOM 449 CB LEU A 29 -4.357 -27.164 8.684 1.00 61.25 C ATOM 450 CG LEU A 29 -3.469 -26.075 8.081 1.00 1.10 C ATOM 451 CD1 LEU A 29 -3.934 -25.724 6.676 1.00 3.43 C ATOM 452 CD2 LEU A 29 -3.465 -24.839 8.968 1.00 10.43 C ATOM 0 H LEU A 29 -1.753 -27.485 10.184 1.00 75.04 H new ATOM 0 HA LEU A 29 -4.417 -28.619 10.264 1.00 23.11 H new ATOM 0 HB2 LEU A 29 -4.806 -27.731 7.869 1.00 61.25 H new ATOM 0 HB3 LEU A 29 -5.172 -26.682 9.224 1.00 61.25 H new ATOM 0 HG LEU A 29 -2.450 -26.457 8.019 1.00 1.10 H new ATOM 0 HD11 LEU A 29 -3.290 -24.947 6.263 1.00 3.43 H new ATOM 0 HD12 LEU A 29 -3.884 -26.611 6.044 1.00 3.43 H new ATOM 0 HD13 LEU A 29 -4.961 -25.362 6.713 1.00 3.43 H new ATOM 0 HD21 LEU A 29 -2.828 -24.074 8.524 1.00 10.43 H new ATOM 0 HD22 LEU A 29 -4.481 -24.455 9.062 1.00 10.43 H new ATOM 0 HD23 LEU A 29 -3.083 -25.101 9.955 1.00 10.43 H new ATOM 464 N THR A 30 -3.715 -29.921 7.979 1.00 63.24 N ATOM 465 CA THR A 30 -3.161 -30.986 7.151 1.00 3.54 C ATOM 466 C THR A 30 -3.158 -30.592 5.679 1.00 63.24 C ATOM 467 O THR A 30 -3.486 -29.460 5.328 1.00 50.32 O ATOM 468 CB THR A 30 -3.951 -32.297 7.319 1.00 13.23 C ATOM 469 OG1 THR A 30 -3.209 -33.390 6.769 1.00 62.43 O ATOM 470 CG2 THR A 30 -5.307 -32.203 6.636 1.00 51.52 C ATOM 0 H THR A 30 -4.713 -29.760 7.847 1.00 63.24 H new ATOM 0 HA THR A 30 -2.135 -31.144 7.484 1.00 3.54 H new ATOM 0 HB THR A 30 -4.109 -32.466 8.384 1.00 13.23 H new ATOM 0 HG1 THR A 30 -3.677 -33.740 5.983 1.00 62.43 H new ATOM 0 HG21 THR A 30 -5.847 -33.141 6.768 1.00 51.52 H new ATOM 0 HG22 THR A 30 -5.881 -31.388 7.078 1.00 51.52 H new ATOM 0 HG23 THR A 30 -5.166 -32.012 5.572 1.00 51.52 H new ATOM 478 N GLY A 31 -2.785 -31.536 4.819 1.00 20.14 N ATOM 479 CA GLY A 31 -2.747 -31.268 3.394 1.00 70.14 C ATOM 480 C GLY A 31 -4.107 -30.898 2.837 1.00 75.32 C ATOM 481 O GLY A 31 -4.256 -29.876 2.167 1.00 11.45 O ATOM 0 H GLY A 31 -2.509 -32.481 5.085 1.00 20.14 H new ATOM 0 HA2 GLY A 31 -2.045 -30.457 3.199 1.00 70.14 H new ATOM 0 HA3 GLY A 31 -2.371 -32.148 2.872 1.00 70.14 H new ATOM 485 N LYS A 32 -5.104 -31.733 3.112 1.00 52.14 N ATOM 486 CA LYS A 32 -6.460 -31.490 2.634 1.00 51.24 C ATOM 487 C LYS A 32 -6.958 -30.120 3.083 1.00 11.12 C ATOM 488 O LYS A 32 -7.419 -29.320 2.270 1.00 71.03 O ATOM 489 CB LYS A 32 -7.406 -32.580 3.143 1.00 65.23 C ATOM 490 CG LYS A 32 -7.311 -33.880 2.362 1.00 14.22 C ATOM 491 CD LYS A 32 -8.200 -34.956 2.962 1.00 35.21 C ATOM 492 CE LYS A 32 -7.966 -36.305 2.300 1.00 33.41 C ATOM 493 NZ LYS A 32 -8.839 -37.365 2.877 1.00 22.32 N ATOM 0 H LYS A 32 -4.998 -32.584 3.664 1.00 52.14 H new ATOM 0 HA LYS A 32 -6.443 -31.512 1.544 1.00 51.24 H new ATOM 0 HB2 LYS A 32 -7.187 -32.779 4.192 1.00 65.23 H new ATOM 0 HB3 LYS A 32 -8.431 -32.211 3.096 1.00 65.23 H new ATOM 0 HG2 LYS A 32 -7.599 -33.705 1.325 1.00 14.22 H new ATOM 0 HG3 LYS A 32 -6.277 -34.225 2.352 1.00 14.22 H new ATOM 0 HD2 LYS A 32 -8.005 -35.036 4.032 1.00 35.21 H new ATOM 0 HD3 LYS A 32 -9.246 -34.670 2.849 1.00 35.21 H new ATOM 0 HE2 LYS A 32 -8.155 -36.222 1.230 1.00 33.41 H new ATOM 0 HE3 LYS A 32 -6.921 -36.591 2.418 1.00 33.41 H new ATOM 0 HZ1 LYS A 32 -8.649 -38.269 2.399 1.00 22.32 H new ATOM 0 HZ2 LYS A 32 -8.641 -37.462 3.893 1.00 22.32 H new ATOM 0 HZ3 LYS A 32 -9.837 -37.105 2.742 1.00 22.32 H new ATOM 507 N GLU A 33 -6.860 -29.857 4.383 1.00 54.24 N ATOM 508 CA GLU A 33 -7.301 -28.583 4.939 1.00 42.34 C ATOM 509 C GLU A 33 -6.496 -27.426 4.353 1.00 60.22 C ATOM 510 O GLU A 33 -7.017 -26.327 4.160 1.00 34.54 O ATOM 511 CB GLU A 33 -7.166 -28.592 6.463 1.00 63.13 C ATOM 512 CG GLU A 33 -7.922 -29.727 7.134 1.00 44.52 C ATOM 513 CD GLU A 33 -7.602 -29.847 8.611 1.00 10.23 C ATOM 514 OE1 GLU A 33 -6.658 -29.172 9.072 1.00 41.35 O ATOM 515 OE2 GLU A 33 -8.297 -30.616 9.307 1.00 31.52 O ATOM 0 H GLU A 33 -6.480 -30.508 5.070 1.00 54.24 H new ATOM 0 HA GLU A 33 -8.349 -28.444 4.675 1.00 42.34 H new ATOM 0 HB2 GLU A 33 -6.111 -28.664 6.725 1.00 63.13 H new ATOM 0 HB3 GLU A 33 -7.528 -27.642 6.857 1.00 63.13 H new ATOM 0 HG2 GLU A 33 -8.993 -29.569 7.010 1.00 44.52 H new ATOM 0 HG3 GLU A 33 -7.679 -30.665 6.636 1.00 44.52 H new ATOM 522 N TYR A 34 -5.223 -27.682 4.072 1.00 11.40 N ATOM 523 CA TYR A 34 -4.345 -26.662 3.511 1.00 24.01 C ATOM 524 C TYR A 34 -4.765 -26.303 2.089 1.00 64.40 C ATOM 525 O TYR A 34 -4.667 -25.149 1.672 1.00 24.14 O ATOM 526 CB TYR A 34 -2.894 -27.148 3.519 1.00 12.03 C ATOM 527 CG TYR A 34 -1.948 -26.241 2.766 1.00 5.02 C ATOM 528 CD1 TYR A 34 -1.814 -24.902 3.112 1.00 22.11 C ATOM 529 CD2 TYR A 34 -1.186 -26.724 1.709 1.00 42.41 C ATOM 530 CE1 TYR A 34 -0.951 -24.070 2.426 1.00 4.11 C ATOM 531 CE2 TYR A 34 -0.319 -25.899 1.018 1.00 1.12 C ATOM 532 CZ TYR A 34 -0.205 -24.573 1.380 1.00 13.12 C ATOM 533 OH TYR A 34 0.657 -23.747 0.695 1.00 32.44 O ATOM 0 H TYR A 34 -4.776 -28.586 4.223 1.00 11.40 H new ATOM 0 HA TYR A 34 -4.426 -25.769 4.130 1.00 24.01 H new ATOM 0 HB2 TYR A 34 -2.555 -27.236 4.551 1.00 12.03 H new ATOM 0 HB3 TYR A 34 -2.851 -28.146 3.083 1.00 12.03 H new ATOM 0 HD1 TYR A 34 -2.395 -24.505 3.931 1.00 22.11 H new ATOM 0 HD2 TYR A 34 -1.273 -27.762 1.423 1.00 42.41 H new ATOM 0 HE1 TYR A 34 -0.861 -23.031 2.707 1.00 4.11 H new ATOM 0 HE2 TYR A 34 0.266 -26.290 0.199 1.00 1.12 H new ATOM 0 HH TYR A 34 1.107 -24.257 -0.011 1.00 32.44 H new ATOM 543 N VAL A 35 -5.234 -27.302 1.348 1.00 62.21 N ATOM 544 CA VAL A 35 -5.671 -27.094 -0.027 1.00 52.13 C ATOM 545 C VAL A 35 -6.957 -26.276 -0.077 1.00 70.42 C ATOM 546 O VAL A 35 -7.115 -25.398 -0.926 1.00 4.42 O ATOM 547 CB VAL A 35 -5.899 -28.433 -0.753 1.00 21.31 C ATOM 548 CG1 VAL A 35 -6.892 -28.261 -1.892 1.00 61.52 C ATOM 549 CG2 VAL A 35 -4.580 -28.993 -1.264 1.00 41.21 C ATOM 0 H VAL A 35 -5.321 -28.263 1.677 1.00 62.21 H new ATOM 0 HA VAL A 35 -4.875 -26.547 -0.532 1.00 52.13 H new ATOM 0 HB VAL A 35 -6.319 -29.145 -0.042 1.00 21.31 H new ATOM 0 HG11 VAL A 35 -7.040 -29.218 -2.393 1.00 61.52 H new ATOM 0 HG12 VAL A 35 -7.844 -27.908 -1.495 1.00 61.52 H new ATOM 0 HG13 VAL A 35 -6.505 -27.534 -2.606 1.00 61.52 H new ATOM 0 HG21 VAL A 35 -4.760 -29.939 -1.774 1.00 41.21 H new ATOM 0 HG22 VAL A 35 -4.129 -28.285 -1.960 1.00 41.21 H new ATOM 0 HG23 VAL A 35 -3.904 -29.156 -0.424 1.00 41.21 H new ATOM 559 N LEU A 36 -7.874 -26.571 0.837 1.00 13.35 N ATOM 560 CA LEU A 36 -9.148 -25.862 0.899 1.00 32.30 C ATOM 561 C LEU A 36 -8.955 -24.437 1.406 1.00 4.11 C ATOM 562 O LEU A 36 -9.629 -23.509 0.956 1.00 31.54 O ATOM 563 CB LEU A 36 -10.127 -26.610 1.806 1.00 24.14 C ATOM 564 CG LEU A 36 -10.998 -27.667 1.127 1.00 32.01 C ATOM 565 CD1 LEU A 36 -10.152 -28.848 0.677 1.00 0.21 C ATOM 566 CD2 LEU A 36 -12.105 -28.128 2.064 1.00 31.11 C ATOM 0 H LEU A 36 -7.760 -27.296 1.545 1.00 13.35 H new ATOM 0 HA LEU A 36 -9.559 -25.816 -0.110 1.00 32.30 H new ATOM 0 HB2 LEU A 36 -9.558 -27.093 2.601 1.00 24.14 H new ATOM 0 HB3 LEU A 36 -10.782 -25.879 2.281 1.00 24.14 H new ATOM 0 HG LEU A 36 -11.458 -27.219 0.246 1.00 32.01 H new ATOM 0 HD11 LEU A 36 -10.789 -29.590 0.196 1.00 0.21 H new ATOM 0 HD12 LEU A 36 -9.396 -28.506 -0.030 1.00 0.21 H new ATOM 0 HD13 LEU A 36 -9.663 -29.296 1.542 1.00 0.21 H new ATOM 0 HD21 LEU A 36 -12.715 -28.880 1.564 1.00 31.11 H new ATOM 0 HD22 LEU A 36 -11.665 -28.557 2.964 1.00 31.11 H new ATOM 0 HD23 LEU A 36 -12.729 -27.277 2.336 1.00 31.11 H new ATOM 578 N LEU A 37 -8.028 -24.269 2.343 1.00 11.41 N ATOM 579 CA LEU A 37 -7.743 -22.955 2.910 1.00 32.13 C ATOM 580 C LEU A 37 -6.929 -22.107 1.938 1.00 31.13 C ATOM 581 O LEU A 37 -7.304 -20.979 1.620 1.00 71.31 O ATOM 582 CB LEU A 37 -6.989 -23.102 4.233 1.00 44.42 C ATOM 583 CG LEU A 37 -7.846 -23.094 5.499 1.00 3.30 C ATOM 584 CD1 LEU A 37 -8.839 -24.245 5.478 1.00 21.15 C ATOM 585 CD2 LEU A 37 -6.966 -23.168 6.739 1.00 53.43 C ATOM 0 H LEU A 37 -7.461 -25.026 2.726 1.00 11.41 H new ATOM 0 HA LEU A 37 -8.692 -22.452 3.094 1.00 32.13 H new ATOM 0 HB2 LEU A 37 -6.426 -24.035 4.205 1.00 44.42 H new ATOM 0 HB3 LEU A 37 -6.262 -22.293 4.305 1.00 44.42 H new ATOM 0 HG LEU A 37 -8.406 -22.159 5.531 1.00 3.30 H new ATOM 0 HD11 LEU A 37 -9.440 -24.223 6.387 1.00 21.15 H new ATOM 0 HD12 LEU A 37 -9.490 -24.148 4.610 1.00 21.15 H new ATOM 0 HD13 LEU A 37 -8.299 -25.190 5.423 1.00 21.15 H new ATOM 0 HD21 LEU A 37 -7.593 -23.161 7.631 1.00 53.43 H new ATOM 0 HD22 LEU A 37 -6.379 -24.086 6.715 1.00 53.43 H new ATOM 0 HD23 LEU A 37 -6.295 -22.309 6.761 1.00 53.43 H new ATOM 597 N GLU A 38 -5.814 -22.659 1.469 1.00 35.43 N ATOM 598 CA GLU A 38 -4.949 -21.953 0.532 1.00 24.42 C ATOM 599 C GLU A 38 -5.748 -21.429 -0.657 1.00 45.14 C ATOM 600 O GLU A 38 -5.428 -20.381 -1.221 1.00 62.43 O ATOM 601 CB GLU A 38 -3.830 -22.876 0.043 1.00 52.24 C ATOM 602 CG GLU A 38 -4.294 -23.913 -0.966 1.00 54.00 C ATOM 603 CD GLU A 38 -3.159 -24.779 -1.477 1.00 52.53 C ATOM 604 OE1 GLU A 38 -2.757 -25.716 -0.758 1.00 21.33 O ATOM 605 OE2 GLU A 38 -2.673 -24.518 -2.598 1.00 13.41 O ATOM 0 H GLU A 38 -5.489 -23.592 1.723 1.00 35.43 H new ATOM 0 HA GLU A 38 -4.508 -21.103 1.053 1.00 24.42 H new ATOM 0 HB2 GLU A 38 -3.042 -22.271 -0.406 1.00 52.24 H new ATOM 0 HB3 GLU A 38 -3.391 -23.386 0.900 1.00 52.24 H new ATOM 0 HG2 GLU A 38 -5.052 -24.548 -0.507 1.00 54.00 H new ATOM 0 HG3 GLU A 38 -4.768 -23.409 -1.808 1.00 54.00 H new ATOM 612 N LEU A 39 -6.788 -22.164 -1.034 1.00 63.22 N ATOM 613 CA LEU A 39 -7.633 -21.775 -2.157 1.00 53.33 C ATOM 614 C LEU A 39 -8.609 -20.675 -1.749 1.00 24.31 C ATOM 615 O LEU A 39 -8.841 -19.726 -2.499 1.00 64.21 O ATOM 616 CB LEU A 39 -8.404 -22.986 -2.685 1.00 13.01 C ATOM 617 CG LEU A 39 -8.750 -22.965 -4.174 1.00 52.22 C ATOM 618 CD1 LEU A 39 -7.484 -22.968 -5.016 1.00 41.03 C ATOM 619 CD2 LEU A 39 -9.635 -24.150 -4.533 1.00 44.12 C ATOM 0 H LEU A 39 -7.066 -23.033 -0.578 1.00 63.22 H new ATOM 0 HA LEU A 39 -6.989 -21.389 -2.947 1.00 53.33 H new ATOM 0 HB2 LEU A 39 -7.817 -23.882 -2.482 1.00 13.01 H new ATOM 0 HB3 LEU A 39 -9.331 -23.077 -2.118 1.00 13.01 H new ATOM 0 HG LEU A 39 -9.301 -22.049 -4.387 1.00 52.22 H new ATOM 0 HD11 LEU A 39 -7.750 -22.953 -6.073 1.00 41.03 H new ATOM 0 HD12 LEU A 39 -6.888 -22.087 -4.779 1.00 41.03 H new ATOM 0 HD13 LEU A 39 -6.906 -23.866 -4.800 1.00 41.03 H new ATOM 0 HD21 LEU A 39 -9.871 -24.119 -5.597 1.00 44.12 H new ATOM 0 HD22 LEU A 39 -9.111 -25.078 -4.305 1.00 44.12 H new ATOM 0 HD23 LEU A 39 -10.558 -24.103 -3.955 1.00 44.12 H new ATOM 631 N LEU A 40 -9.176 -20.808 -0.555 1.00 64.20 N ATOM 632 CA LEU A 40 -10.125 -19.825 -0.045 1.00 4.31 C ATOM 633 C LEU A 40 -9.492 -18.438 0.017 1.00 62.25 C ATOM 634 O LEU A 40 -10.067 -17.460 -0.462 1.00 12.44 O ATOM 635 CB LEU A 40 -10.617 -20.235 1.344 1.00 53.11 C ATOM 636 CG LEU A 40 -11.865 -21.118 1.380 1.00 61.43 C ATOM 637 CD1 LEU A 40 -12.211 -21.496 2.812 1.00 41.33 C ATOM 638 CD2 LEU A 40 -13.037 -20.413 0.714 1.00 53.20 C ATOM 0 H LEU A 40 -8.995 -21.587 0.078 1.00 64.20 H new ATOM 0 HA LEU A 40 -10.973 -19.787 -0.728 1.00 4.31 H new ATOM 0 HB2 LEU A 40 -9.809 -20.761 1.853 1.00 53.11 H new ATOM 0 HB3 LEU A 40 -10.820 -19.330 1.917 1.00 53.11 H new ATOM 0 HG LEU A 40 -11.655 -22.033 0.826 1.00 61.43 H new ATOM 0 HD11 LEU A 40 -13.102 -22.124 2.817 1.00 41.33 H new ATOM 0 HD12 LEU A 40 -11.379 -22.043 3.255 1.00 41.33 H new ATOM 0 HD13 LEU A 40 -12.401 -20.592 3.391 1.00 41.33 H new ATOM 0 HD21 LEU A 40 -13.916 -21.056 0.749 1.00 53.20 H new ATOM 0 HD22 LEU A 40 -13.248 -19.482 1.240 1.00 53.20 H new ATOM 0 HD23 LEU A 40 -12.788 -20.195 -0.325 1.00 53.20 H new ATOM 650 N LEU A 41 -8.304 -18.362 0.606 1.00 43.42 N ATOM 651 CA LEU A 41 -7.591 -17.095 0.728 1.00 45.22 C ATOM 652 C LEU A 41 -7.108 -16.608 -0.635 1.00 23.32 C ATOM 653 O LEU A 41 -7.262 -15.436 -0.976 1.00 33.03 O ATOM 654 CB LEU A 41 -6.402 -17.246 1.679 1.00 41.23 C ATOM 655 CG LEU A 41 -5.405 -18.354 1.337 1.00 74.11 C ATOM 656 CD1 LEU A 41 -4.201 -17.782 0.605 1.00 74.32 C ATOM 657 CD2 LEU A 41 -4.968 -19.085 2.598 1.00 64.02 C ATOM 0 H LEU A 41 -7.814 -19.162 1.006 1.00 43.42 H new ATOM 0 HA LEU A 41 -8.281 -16.355 1.134 1.00 45.22 H new ATOM 0 HB2 LEU A 41 -5.865 -16.298 1.710 1.00 41.23 H new ATOM 0 HB3 LEU A 41 -6.786 -17.428 2.683 1.00 41.23 H new ATOM 0 HG LEU A 41 -5.897 -19.069 0.678 1.00 74.11 H new ATOM 0 HD11 LEU A 41 -3.503 -18.585 0.370 1.00 74.32 H new ATOM 0 HD12 LEU A 41 -4.529 -17.305 -0.318 1.00 74.32 H new ATOM 0 HD13 LEU A 41 -3.707 -17.045 1.238 1.00 74.32 H new ATOM 0 HD21 LEU A 41 -4.259 -19.870 2.336 1.00 64.02 H new ATOM 0 HD22 LEU A 41 -4.494 -18.380 3.281 1.00 64.02 H new ATOM 0 HD23 LEU A 41 -5.838 -19.529 3.081 1.00 64.02 H new ATOM 669 N GLN A 42 -6.525 -17.517 -1.410 1.00 22.54 N ATOM 670 CA GLN A 42 -6.021 -17.180 -2.736 1.00 31.52 C ATOM 671 C GLN A 42 -7.117 -16.554 -3.591 1.00 73.24 C ATOM 672 O GLN A 42 -6.880 -15.580 -4.305 1.00 52.34 O ATOM 673 CB GLN A 42 -5.469 -18.428 -3.427 1.00 24.32 C ATOM 674 CG GLN A 42 -4.844 -18.146 -4.783 1.00 45.15 C ATOM 675 CD GLN A 42 -4.558 -19.411 -5.569 1.00 55.43 C ATOM 676 OE1 GLN A 42 -5.448 -20.233 -5.788 1.00 74.13 O ATOM 677 NE2 GLN A 42 -3.313 -19.573 -5.999 1.00 5.12 N ATOM 0 H GLN A 42 -6.390 -18.492 -1.143 1.00 22.54 H new ATOM 0 HA GLN A 42 -5.217 -16.453 -2.618 1.00 31.52 H new ATOM 0 HB2 GLN A 42 -4.723 -18.891 -2.781 1.00 24.32 H new ATOM 0 HB3 GLN A 42 -6.275 -19.151 -3.551 1.00 24.32 H new ATOM 0 HG2 GLN A 42 -5.512 -17.507 -5.361 1.00 45.15 H new ATOM 0 HG3 GLN A 42 -3.916 -17.592 -4.643 1.00 45.15 H new ATOM 0 HE21 GLN A 42 -2.607 -18.866 -5.795 1.00 5.12 H new ATOM 0 HE22 GLN A 42 -3.062 -20.404 -6.534 1.00 5.12 H new ATOM 686 N ARG A 43 -8.317 -17.120 -3.515 1.00 31.44 N ATOM 687 CA ARG A 43 -9.450 -16.618 -4.283 1.00 65.35 C ATOM 688 C ARG A 43 -10.451 -15.909 -3.376 1.00 71.54 C ATOM 689 O ARG A 43 -11.639 -15.826 -3.690 1.00 11.30 O ATOM 690 CB ARG A 43 -10.139 -17.765 -5.024 1.00 71.43 C ATOM 691 CG ARG A 43 -9.197 -18.582 -5.894 1.00 55.13 C ATOM 692 CD ARG A 43 -8.468 -17.706 -6.901 1.00 14.32 C ATOM 693 NE ARG A 43 -8.191 -18.417 -8.146 1.00 2.22 N ATOM 694 CZ ARG A 43 -7.420 -17.932 -9.113 1.00 20.01 C ATOM 695 NH1 ARG A 43 -6.853 -16.741 -8.979 1.00 23.21 N ATOM 696 NH2 ARG A 43 -7.215 -18.639 -10.217 1.00 22.22 N ATOM 0 H ARG A 43 -8.530 -17.927 -2.929 1.00 31.44 H new ATOM 0 HA ARG A 43 -9.074 -15.899 -5.011 1.00 65.35 H new ATOM 0 HB2 ARG A 43 -10.611 -18.425 -4.296 1.00 71.43 H new ATOM 0 HB3 ARG A 43 -10.934 -17.357 -5.648 1.00 71.43 H new ATOM 0 HG2 ARG A 43 -8.471 -19.095 -5.264 1.00 55.13 H new ATOM 0 HG3 ARG A 43 -9.762 -19.351 -6.421 1.00 55.13 H new ATOM 0 HD2 ARG A 43 -9.069 -16.822 -7.114 1.00 14.32 H new ATOM 0 HD3 ARG A 43 -7.531 -17.357 -6.467 1.00 14.32 H new ATOM 0 HE ARG A 43 -8.612 -19.336 -8.280 1.00 2.22 H new ATOM 0 HH11 ARG A 43 -7.008 -16.195 -8.132 1.00 23.21 H new ATOM 0 HH12 ARG A 43 -6.261 -16.371 -9.723 1.00 23.21 H new ATOM 0 HH21 ARG A 43 -7.650 -19.556 -10.324 1.00 22.22 H new ATOM 0 HH22 ARG A 43 -6.623 -18.266 -10.959 1.00 22.22 H new ATOM 710 N THR A 44 -9.964 -15.400 -2.249 1.00 63.40 N ATOM 711 CA THR A 44 -10.815 -14.701 -1.296 1.00 13.44 C ATOM 712 C THR A 44 -11.622 -13.604 -1.981 1.00 13.21 C ATOM 713 O THR A 44 -11.118 -12.906 -2.860 1.00 74.21 O ATOM 714 CB THR A 44 -9.988 -14.077 -0.156 1.00 30.35 C ATOM 715 OG1 THR A 44 -10.860 -13.506 0.826 1.00 4.24 O ATOM 716 CG2 THR A 44 -9.048 -13.007 -0.691 1.00 75.40 C ATOM 0 H THR A 44 -8.983 -15.459 -1.974 1.00 63.40 H new ATOM 0 HA THR A 44 -11.496 -15.443 -0.878 1.00 13.44 H new ATOM 0 HB THR A 44 -9.391 -14.865 0.303 1.00 30.35 H new ATOM 0 HG1 THR A 44 -10.327 -13.113 1.548 1.00 4.24 H new ATOM 0 HG21 THR A 44 -8.475 -12.581 0.133 1.00 75.40 H new ATOM 0 HG22 THR A 44 -8.366 -13.451 -1.416 1.00 75.40 H new ATOM 0 HG23 THR A 44 -9.629 -12.221 -1.174 1.00 75.40 H new ATOM 724 N GLY A 45 -12.879 -13.456 -1.572 1.00 22.22 N ATOM 725 CA GLY A 45 -13.735 -12.441 -2.157 1.00 72.42 C ATOM 726 C GLY A 45 -14.645 -13.001 -3.233 1.00 13.34 C ATOM 727 O GLY A 45 -15.644 -12.379 -3.594 1.00 44.22 O ATOM 0 H GLY A 45 -13.319 -14.021 -0.846 1.00 22.22 H new ATOM 0 HA2 GLY A 45 -14.341 -11.985 -1.374 1.00 72.42 H new ATOM 0 HA3 GLY A 45 -13.117 -11.650 -2.583 1.00 72.42 H new ATOM 731 N GLU A 46 -14.299 -14.177 -3.746 1.00 32.12 N ATOM 732 CA GLU A 46 -15.092 -14.818 -4.788 1.00 40.05 C ATOM 733 C GLU A 46 -15.303 -16.297 -4.479 1.00 73.34 C ATOM 734 O GLU A 46 -14.380 -16.993 -4.057 1.00 65.12 O ATOM 735 CB GLU A 46 -14.408 -14.662 -6.148 1.00 71.44 C ATOM 736 CG GLU A 46 -12.977 -15.173 -6.172 1.00 11.21 C ATOM 737 CD GLU A 46 -12.394 -15.211 -7.571 1.00 74.33 C ATOM 738 OE1 GLU A 46 -13.005 -15.853 -8.451 1.00 40.15 O ATOM 739 OE2 GLU A 46 -11.327 -14.599 -7.786 1.00 12.11 O ATOM 0 H GLU A 46 -13.475 -14.705 -3.457 1.00 32.12 H new ATOM 0 HA GLU A 46 -16.066 -14.329 -4.821 1.00 40.05 H new ATOM 0 HB2 GLU A 46 -14.988 -15.196 -6.900 1.00 71.44 H new ATOM 0 HB3 GLU A 46 -14.414 -13.609 -6.429 1.00 71.44 H new ATOM 0 HG2 GLU A 46 -12.357 -14.536 -5.541 1.00 11.21 H new ATOM 0 HG3 GLU A 46 -12.946 -16.174 -5.742 1.00 11.21 H new ATOM 746 N VAL A 47 -16.527 -16.771 -4.692 1.00 63.53 N ATOM 747 CA VAL A 47 -16.861 -18.168 -4.437 1.00 44.35 C ATOM 748 C VAL A 47 -16.383 -19.063 -5.575 1.00 74.31 C ATOM 749 O VAL A 47 -16.578 -18.750 -6.750 1.00 45.44 O ATOM 750 CB VAL A 47 -18.378 -18.357 -4.252 1.00 21.04 C ATOM 751 CG1 VAL A 47 -19.117 -18.053 -5.546 1.00 3.31 C ATOM 752 CG2 VAL A 47 -18.684 -19.768 -3.773 1.00 25.23 C ATOM 0 H VAL A 47 -17.303 -16.209 -5.040 1.00 63.53 H new ATOM 0 HA VAL A 47 -16.352 -18.453 -3.516 1.00 44.35 H new ATOM 0 HB VAL A 47 -18.723 -17.656 -3.492 1.00 21.04 H new ATOM 0 HG11 VAL A 47 -20.187 -18.192 -5.395 1.00 3.31 H new ATOM 0 HG12 VAL A 47 -18.923 -17.022 -5.842 1.00 3.31 H new ATOM 0 HG13 VAL A 47 -18.771 -18.727 -6.330 1.00 3.31 H new ATOM 0 HG21 VAL A 47 -19.760 -19.884 -3.647 1.00 25.23 H new ATOM 0 HG22 VAL A 47 -18.325 -20.488 -4.508 1.00 25.23 H new ATOM 0 HG23 VAL A 47 -18.186 -19.944 -2.819 1.00 25.23 H new ATOM 762 N LEU A 48 -15.759 -20.180 -5.219 1.00 25.21 N ATOM 763 CA LEU A 48 -15.253 -21.124 -6.210 1.00 51.43 C ATOM 764 C LEU A 48 -16.067 -22.414 -6.199 1.00 3.25 C ATOM 765 O LEU A 48 -16.739 -22.744 -5.222 1.00 14.54 O ATOM 766 CB LEU A 48 -13.779 -21.434 -5.943 1.00 34.12 C ATOM 767 CG LEU A 48 -13.040 -20.450 -5.036 1.00 1.30 C ATOM 768 CD1 LEU A 48 -11.647 -20.966 -4.711 1.00 63.15 C ATOM 769 CD2 LEU A 48 -12.963 -19.077 -5.689 1.00 33.31 C ATOM 0 H LEU A 48 -15.591 -20.455 -4.251 1.00 25.21 H new ATOM 0 HA LEU A 48 -15.348 -20.665 -7.194 1.00 51.43 H new ATOM 0 HB2 LEU A 48 -13.712 -22.427 -5.499 1.00 34.12 H new ATOM 0 HB3 LEU A 48 -13.258 -21.477 -6.900 1.00 34.12 H new ATOM 0 HG LEU A 48 -13.597 -20.357 -4.104 1.00 1.30 H new ATOM 0 HD11 LEU A 48 -11.136 -20.252 -4.065 1.00 63.15 H new ATOM 0 HD12 LEU A 48 -11.724 -21.926 -4.201 1.00 63.15 H new ATOM 0 HD13 LEU A 48 -11.080 -21.090 -5.634 1.00 63.15 H new ATOM 0 HD21 LEU A 48 -12.434 -18.389 -5.029 1.00 33.31 H new ATOM 0 HD22 LEU A 48 -12.429 -19.154 -6.636 1.00 33.31 H new ATOM 0 HD23 LEU A 48 -13.971 -18.703 -5.870 1.00 33.31 H new ATOM 781 N PRO A 49 -16.004 -23.164 -7.309 1.00 4.51 N ATOM 782 CA PRO A 49 -16.726 -24.431 -7.450 1.00 71.22 C ATOM 783 C PRO A 49 -16.153 -25.528 -6.559 1.00 45.23 C ATOM 784 O PRO A 49 -15.063 -25.383 -6.004 1.00 71.24 O ATOM 785 CB PRO A 49 -16.534 -24.787 -8.927 1.00 4.54 C ATOM 786 CG PRO A 49 -15.272 -24.098 -9.321 1.00 33.55 C ATOM 787 CD PRO A 49 -15.222 -22.832 -8.512 1.00 4.22 C ATOM 0 HA PRO A 49 -17.770 -24.340 -7.152 1.00 71.22 H new ATOM 0 HB2 PRO A 49 -16.457 -25.865 -9.068 1.00 4.54 H new ATOM 0 HB3 PRO A 49 -17.376 -24.446 -9.529 1.00 4.54 H new ATOM 0 HG2 PRO A 49 -14.405 -24.726 -9.117 1.00 33.55 H new ATOM 0 HG3 PRO A 49 -15.264 -23.879 -10.389 1.00 33.55 H new ATOM 0 HD2 PRO A 49 -14.198 -22.555 -8.262 1.00 4.22 H new ATOM 0 HD3 PRO A 49 -15.656 -21.992 -9.054 1.00 4.22 H new ATOM 795 N ARG A 50 -16.892 -26.624 -6.427 1.00 54.21 N ATOM 796 CA ARG A 50 -16.457 -27.745 -5.603 1.00 10.44 C ATOM 797 C ARG A 50 -15.492 -28.642 -6.371 1.00 64.22 C ATOM 798 O ARG A 50 -14.459 -29.056 -5.844 1.00 13.24 O ATOM 799 CB ARG A 50 -17.664 -28.559 -5.134 1.00 21.35 C ATOM 800 CG ARG A 50 -17.295 -29.744 -4.255 1.00 40.41 C ATOM 801 CD ARG A 50 -18.209 -30.932 -4.510 1.00 30.05 C ATOM 802 NE ARG A 50 -19.270 -31.030 -3.511 1.00 54.22 N ATOM 803 CZ ARG A 50 -20.430 -30.389 -3.606 1.00 50.22 C ATOM 804 NH1 ARG A 50 -20.676 -29.608 -4.649 1.00 73.22 N ATOM 805 NH2 ARG A 50 -21.346 -30.528 -2.657 1.00 34.42 N ATOM 0 H ARG A 50 -17.796 -26.760 -6.880 1.00 54.21 H new ATOM 0 HA ARG A 50 -15.938 -27.344 -4.733 1.00 10.44 H new ATOM 0 HB2 ARG A 50 -18.340 -27.906 -4.583 1.00 21.35 H new ATOM 0 HB3 ARG A 50 -18.209 -28.920 -6.006 1.00 21.35 H new ATOM 0 HG2 ARG A 50 -16.261 -30.032 -4.445 1.00 40.41 H new ATOM 0 HG3 ARG A 50 -17.357 -29.454 -3.206 1.00 40.41 H new ATOM 0 HD2 ARG A 50 -18.652 -30.842 -5.502 1.00 30.05 H new ATOM 0 HD3 ARG A 50 -17.621 -31.850 -4.505 1.00 30.05 H new ATOM 0 HE ARG A 50 -19.112 -31.623 -2.696 1.00 54.22 H new ATOM 0 HH11 ARG A 50 -19.974 -29.498 -5.381 1.00 73.22 H new ATOM 0 HH12 ARG A 50 -21.567 -29.117 -4.720 1.00 73.22 H new ATOM 0 HH21 ARG A 50 -21.160 -31.128 -1.853 1.00 34.42 H new ATOM 0 HH22 ARG A 50 -22.236 -30.035 -2.731 1.00 34.42 H new ATOM 819 N SER A 51 -15.835 -28.940 -7.620 1.00 53.43 N ATOM 820 CA SER A 51 -15.002 -29.792 -8.460 1.00 44.53 C ATOM 821 C SER A 51 -13.560 -29.292 -8.479 1.00 30.53 C ATOM 822 O SER A 51 -12.619 -30.080 -8.589 1.00 33.04 O ATOM 823 CB SER A 51 -15.556 -29.837 -9.886 1.00 23.44 C ATOM 824 OG SER A 51 -15.944 -28.547 -10.323 1.00 53.15 O ATOM 0 H SER A 51 -16.685 -28.604 -8.073 1.00 53.43 H new ATOM 0 HA SER A 51 -15.015 -30.798 -8.041 1.00 44.53 H new ATOM 0 HB2 SER A 51 -14.801 -30.241 -10.560 1.00 23.44 H new ATOM 0 HB3 SER A 51 -16.412 -30.511 -9.926 1.00 23.44 H new ATOM 0 HG SER A 51 -16.293 -28.602 -11.237 1.00 53.15 H new ATOM 830 N LEU A 52 -13.394 -27.979 -8.371 1.00 11.15 N ATOM 831 CA LEU A 52 -12.067 -27.372 -8.374 1.00 73.55 C ATOM 832 C LEU A 52 -11.269 -27.800 -7.147 1.00 33.30 C ATOM 833 O LEU A 52 -10.145 -28.288 -7.265 1.00 21.32 O ATOM 834 CB LEU A 52 -12.182 -25.848 -8.416 1.00 51.32 C ATOM 835 CG LEU A 52 -10.873 -25.072 -8.266 1.00 12.41 C ATOM 836 CD1 LEU A 52 -9.891 -25.464 -9.359 1.00 55.11 C ATOM 837 CD2 LEU A 52 -11.135 -23.573 -8.295 1.00 14.14 C ATOM 0 H LEU A 52 -14.162 -27.313 -8.280 1.00 11.15 H new ATOM 0 HA LEU A 52 -11.540 -27.715 -9.264 1.00 73.55 H new ATOM 0 HB2 LEU A 52 -12.643 -25.564 -9.362 1.00 51.32 H new ATOM 0 HB3 LEU A 52 -12.861 -25.533 -7.624 1.00 51.32 H new ATOM 0 HG LEU A 52 -10.432 -25.325 -7.302 1.00 12.41 H new ATOM 0 HD11 LEU A 52 -8.966 -24.901 -9.236 1.00 55.11 H new ATOM 0 HD12 LEU A 52 -9.679 -26.531 -9.292 1.00 55.11 H new ATOM 0 HD13 LEU A 52 -10.324 -25.241 -10.334 1.00 55.11 H new ATOM 0 HD21 LEU A 52 -10.192 -23.037 -8.187 1.00 14.14 H new ATOM 0 HD22 LEU A 52 -11.599 -23.303 -9.243 1.00 14.14 H new ATOM 0 HD23 LEU A 52 -11.801 -23.304 -7.475 1.00 14.14 H new ATOM 849 N ILE A 53 -11.859 -27.616 -5.971 1.00 10.03 N ATOM 850 CA ILE A 53 -11.204 -27.986 -4.722 1.00 72.11 C ATOM 851 C ILE A 53 -10.691 -29.421 -4.775 1.00 21.01 C ATOM 852 O ILE A 53 -9.512 -29.679 -4.533 1.00 1.23 O ATOM 853 CB ILE A 53 -12.157 -27.837 -3.521 1.00 62.42 C ATOM 854 CG1 ILE A 53 -12.744 -26.425 -3.480 1.00 20.01 C ATOM 855 CG2 ILE A 53 -11.427 -28.151 -2.224 1.00 23.41 C ATOM 856 CD1 ILE A 53 -14.205 -26.389 -3.090 1.00 20.24 C ATOM 0 H ILE A 53 -12.789 -27.213 -5.857 1.00 10.03 H new ATOM 0 HA ILE A 53 -10.362 -27.306 -4.593 1.00 72.11 H new ATOM 0 HB ILE A 53 -12.976 -28.547 -3.635 1.00 62.42 H new ATOM 0 HG12 ILE A 53 -12.173 -25.823 -2.773 1.00 20.01 H new ATOM 0 HG13 ILE A 53 -12.626 -25.963 -4.460 1.00 20.01 H new ATOM 0 HG21 ILE A 53 -12.113 -28.041 -1.384 1.00 23.41 H new ATOM 0 HG22 ILE A 53 -11.053 -29.174 -2.256 1.00 23.41 H new ATOM 0 HG23 ILE A 53 -10.591 -27.463 -2.101 1.00 23.41 H new ATOM 0 HD11 ILE A 53 -14.554 -25.356 -3.082 1.00 20.24 H new ATOM 0 HD12 ILE A 53 -14.788 -26.963 -3.810 1.00 20.24 H new ATOM 0 HD13 ILE A 53 -14.327 -26.821 -2.097 1.00 20.24 H new ATOM 868 N SER A 54 -11.584 -30.352 -5.095 1.00 12.11 N ATOM 869 CA SER A 54 -11.222 -31.762 -5.178 1.00 34.00 C ATOM 870 C SER A 54 -10.077 -31.972 -6.163 1.00 45.21 C ATOM 871 O SER A 54 -9.252 -32.869 -5.991 1.00 70.53 O ATOM 872 CB SER A 54 -12.433 -32.597 -5.601 1.00 2.23 C ATOM 873 OG SER A 54 -12.870 -32.239 -6.900 1.00 53.02 O ATOM 0 H SER A 54 -12.563 -30.155 -5.301 1.00 12.11 H new ATOM 0 HA SER A 54 -10.893 -32.086 -4.191 1.00 34.00 H new ATOM 0 HB2 SER A 54 -12.174 -33.656 -5.580 1.00 2.23 H new ATOM 0 HB3 SER A 54 -13.245 -32.453 -4.888 1.00 2.23 H new ATOM 0 HG SER A 54 -12.555 -31.336 -7.114 1.00 53.02 H new ATOM 879 N SER A 55 -10.032 -31.136 -7.196 1.00 72.41 N ATOM 880 CA SER A 55 -8.990 -31.232 -8.212 1.00 14.50 C ATOM 881 C SER A 55 -7.657 -30.725 -7.672 1.00 2.45 C ATOM 882 O SER A 55 -6.591 -31.182 -8.087 1.00 0.51 O ATOM 883 CB SER A 55 -9.387 -30.433 -9.455 1.00 45.13 C ATOM 884 OG SER A 55 -8.281 -29.714 -9.973 1.00 2.50 O ATOM 0 H SER A 55 -10.705 -30.385 -7.351 1.00 72.41 H new ATOM 0 HA SER A 55 -8.876 -32.281 -8.484 1.00 14.50 H new ATOM 0 HB2 SER A 55 -9.775 -31.109 -10.217 1.00 45.13 H new ATOM 0 HB3 SER A 55 -10.190 -29.740 -9.205 1.00 45.13 H new ATOM 0 HG SER A 55 -8.560 -29.213 -10.768 1.00 2.50 H new ATOM 890 N LEU A 56 -7.724 -29.777 -6.743 1.00 21.23 N ATOM 891 CA LEU A 56 -6.522 -29.206 -6.144 1.00 34.53 C ATOM 892 C LEU A 56 -5.843 -30.213 -5.221 1.00 30.30 C ATOM 893 O LEU A 56 -4.712 -30.004 -4.782 1.00 62.54 O ATOM 894 CB LEU A 56 -6.871 -27.937 -5.364 1.00 61.32 C ATOM 895 CG LEU A 56 -6.454 -26.616 -6.012 1.00 33.23 C ATOM 896 CD1 LEU A 56 -4.949 -26.424 -5.911 1.00 11.53 C ATOM 897 CD2 LEU A 56 -6.903 -26.570 -7.465 1.00 14.41 C ATOM 0 H LEU A 56 -8.598 -29.388 -6.388 1.00 21.23 H new ATOM 0 HA LEU A 56 -5.830 -28.953 -6.947 1.00 34.53 H new ATOM 0 HB2 LEU A 56 -7.949 -27.917 -5.206 1.00 61.32 H new ATOM 0 HB3 LEU A 56 -6.405 -27.999 -4.380 1.00 61.32 H new ATOM 0 HG LEU A 56 -6.940 -25.801 -5.476 1.00 33.23 H new ATOM 0 HD11 LEU A 56 -4.671 -25.479 -6.377 1.00 11.53 H new ATOM 0 HD12 LEU A 56 -4.653 -26.412 -4.862 1.00 11.53 H new ATOM 0 HD13 LEU A 56 -4.443 -27.243 -6.421 1.00 11.53 H new ATOM 0 HD21 LEU A 56 -6.598 -25.623 -7.910 1.00 14.41 H new ATOM 0 HD22 LEU A 56 -6.445 -27.393 -8.014 1.00 14.41 H new ATOM 0 HD23 LEU A 56 -7.988 -26.661 -7.514 1.00 14.41 H new ATOM 909 N VAL A 57 -6.540 -31.307 -4.932 1.00 32.53 N ATOM 910 CA VAL A 57 -6.003 -32.349 -4.064 1.00 14.11 C ATOM 911 C VAL A 57 -5.991 -33.700 -4.770 1.00 23.01 C ATOM 912 O VAL A 57 -4.940 -34.178 -5.199 1.00 14.32 O ATOM 913 CB VAL A 57 -6.818 -32.470 -2.762 1.00 43.21 C ATOM 914 CG1 VAL A 57 -6.089 -31.793 -1.611 1.00 40.24 C ATOM 915 CG2 VAL A 57 -8.207 -31.878 -2.946 1.00 42.23 C ATOM 0 H VAL A 57 -7.478 -31.495 -5.286 1.00 32.53 H new ATOM 0 HA VAL A 57 -4.981 -32.061 -3.819 1.00 14.11 H new ATOM 0 HB VAL A 57 -6.928 -33.527 -2.519 1.00 43.21 H new ATOM 0 HG11 VAL A 57 -6.680 -31.889 -0.700 1.00 40.24 H new ATOM 0 HG12 VAL A 57 -5.118 -32.267 -1.466 1.00 40.24 H new ATOM 0 HG13 VAL A 57 -5.946 -30.737 -1.842 1.00 40.24 H new ATOM 0 HG21 VAL A 57 -8.769 -31.972 -2.017 1.00 42.23 H new ATOM 0 HG22 VAL A 57 -8.121 -30.825 -3.213 1.00 42.23 H new ATOM 0 HG23 VAL A 57 -8.728 -32.412 -3.740 1.00 42.23 H new ATOM 925 N TRP A 58 -7.164 -34.311 -4.887 1.00 52.44 N ATOM 926 CA TRP A 58 -7.288 -35.608 -5.542 1.00 54.25 C ATOM 927 C TRP A 58 -7.424 -35.444 -7.052 1.00 63.43 C ATOM 928 O TRP A 58 -6.477 -35.689 -7.799 1.00 53.43 O ATOM 929 CB TRP A 58 -8.495 -36.368 -4.989 1.00 63.22 C ATOM 930 CG TRP A 58 -8.755 -37.664 -5.696 1.00 13.10 C ATOM 931 CD1 TRP A 58 -9.745 -37.919 -6.602 1.00 44.44 C ATOM 932 CD2 TRP A 58 -8.016 -38.882 -5.553 1.00 15.13 C ATOM 933 NE1 TRP A 58 -9.665 -39.222 -7.031 1.00 53.42 N ATOM 934 CE2 TRP A 58 -8.613 -39.833 -6.403 1.00 30.51 C ATOM 935 CE3 TRP A 58 -6.908 -39.261 -4.791 1.00 0.32 C ATOM 936 CZ2 TRP A 58 -8.138 -41.138 -6.509 1.00 43.23 C ATOM 937 CZ3 TRP A 58 -6.438 -40.556 -4.897 1.00 44.43 C ATOM 938 CH2 TRP A 58 -7.051 -41.481 -5.752 1.00 31.42 C ATOM 0 H TRP A 58 -8.043 -33.929 -4.537 1.00 52.44 H new ATOM 0 HA TRP A 58 -6.382 -36.179 -5.337 1.00 54.25 H new ATOM 0 HB2 TRP A 58 -8.336 -36.566 -3.929 1.00 63.22 H new ATOM 0 HB3 TRP A 58 -9.380 -35.736 -5.066 1.00 63.22 H new ATOM 0 HD1 TRP A 58 -10.482 -37.202 -6.932 1.00 44.44 H new ATOM 0 HE1 TRP A 58 -10.288 -39.663 -7.708 1.00 53.42 H new ATOM 0 HE3 TRP A 58 -6.427 -38.554 -4.131 1.00 0.32 H new ATOM 0 HZ2 TRP A 58 -8.611 -41.854 -7.165 1.00 43.23 H new ATOM 0 HZ3 TRP A 58 -5.584 -40.860 -4.311 1.00 44.43 H new ATOM 0 HH2 TRP A 58 -6.658 -42.485 -5.815 1.00 31.42 H new ATOM 949 N ASN A 59 -8.606 -35.030 -7.495 1.00 14.32 N ATOM 950 CA ASN A 59 -8.865 -34.834 -8.917 1.00 23.13 C ATOM 951 C ASN A 59 -10.277 -34.305 -9.145 1.00 53.12 C ATOM 952 O ASN A 59 -11.024 -34.071 -8.196 1.00 13.33 O ATOM 953 CB ASN A 59 -8.671 -36.148 -9.677 1.00 11.30 C ATOM 954 CG ASN A 59 -8.082 -35.935 -11.058 1.00 51.01 C ATOM 955 OD1 ASN A 59 -8.738 -36.184 -12.070 1.00 22.42 O ATOM 956 ND2 ASN A 59 -6.838 -35.472 -11.106 1.00 14.11 N ATOM 0 H ASN A 59 -9.401 -34.823 -6.890 1.00 14.32 H new ATOM 0 HA ASN A 59 -8.156 -34.096 -9.292 1.00 23.13 H new ATOM 0 HB2 ASN A 59 -8.016 -36.804 -9.103 1.00 11.30 H new ATOM 0 HB3 ASN A 59 -9.631 -36.657 -9.769 1.00 11.30 H new ATOM 0 HD21 ASN A 59 -6.389 -35.309 -12.007 1.00 14.11 H new ATOM 0 HD22 ASN A 59 -6.332 -35.279 -10.242 1.00 14.11 H new ATOM 963 N MET A 60 -10.636 -34.119 -10.411 1.00 73.53 N ATOM 964 CA MET A 60 -11.960 -33.620 -10.765 1.00 1.34 C ATOM 965 C MET A 60 -12.688 -34.605 -11.673 1.00 53.12 C ATOM 966 O MET A 60 -12.524 -34.577 -12.892 1.00 62.50 O ATOM 967 CB MET A 60 -11.847 -32.259 -11.455 1.00 13.13 C ATOM 968 CG MET A 60 -10.748 -32.198 -12.503 1.00 72.30 C ATOM 969 SD MET A 60 -10.554 -30.551 -13.211 1.00 24.42 S ATOM 970 CE MET A 60 -11.292 -30.787 -14.825 1.00 72.34 C ATOM 0 H MET A 60 -10.029 -34.306 -11.209 1.00 73.53 H new ATOM 0 HA MET A 60 -12.536 -33.507 -9.847 1.00 1.34 H new ATOM 0 HB2 MET A 60 -12.800 -32.019 -11.926 1.00 13.13 H new ATOM 0 HB3 MET A 60 -11.662 -31.493 -10.702 1.00 13.13 H new ATOM 0 HG2 MET A 60 -9.805 -32.509 -12.054 1.00 72.30 H new ATOM 0 HG3 MET A 60 -10.971 -32.908 -13.300 1.00 72.30 H new ATOM 0 HE1 MET A 60 -11.248 -29.853 -15.385 1.00 72.34 H new ATOM 0 HE2 MET A 60 -10.746 -31.560 -15.365 1.00 72.34 H new ATOM 0 HE3 MET A 60 -12.332 -31.091 -14.708 1.00 72.34 H new ATOM 980 N ASN A 61 -13.493 -35.474 -11.071 1.00 75.32 N ATOM 981 CA ASN A 61 -14.246 -36.469 -11.827 1.00 13.22 C ATOM 982 C ASN A 61 -15.725 -36.100 -11.888 1.00 75.23 C ATOM 983 O ASN A 61 -16.583 -36.960 -12.090 1.00 61.42 O ATOM 984 CB ASN A 61 -14.080 -37.853 -11.196 1.00 2.43 C ATOM 985 CG ASN A 61 -12.815 -38.551 -11.658 1.00 14.41 C ATOM 986 OD1 ASN A 61 -12.562 -38.670 -12.857 1.00 20.43 O ATOM 987 ND2 ASN A 61 -12.015 -39.016 -10.706 1.00 4.50 N ATOM 0 H ASN A 61 -13.641 -35.510 -10.062 1.00 75.32 H new ATOM 0 HA ASN A 61 -13.852 -36.491 -12.843 1.00 13.22 H new ATOM 0 HB2 ASN A 61 -14.062 -37.755 -10.111 1.00 2.43 H new ATOM 0 HB3 ASN A 61 -14.944 -38.469 -11.446 1.00 2.43 H new ATOM 0 HD21 ASN A 61 -11.150 -39.495 -10.956 1.00 4.50 H new ATOM 0 HD22 ASN A 61 -12.266 -38.894 -9.725 1.00 4.50 H new ATOM 994 N PHE A 62 -16.017 -34.816 -11.713 1.00 52.42 N ATOM 995 CA PHE A 62 -17.393 -34.332 -11.748 1.00 64.33 C ATOM 996 C PHE A 62 -18.279 -35.145 -10.809 1.00 2.02 C ATOM 997 O PHE A 62 -19.460 -35.358 -11.082 1.00 32.21 O ATOM 998 CB PHE A 62 -17.944 -34.401 -13.174 1.00 64.11 C ATOM 999 CG PHE A 62 -17.157 -33.586 -14.161 1.00 13.14 C ATOM 1000 CD1 PHE A 62 -17.040 -32.214 -14.008 1.00 1.33 C ATOM 1001 CD2 PHE A 62 -16.535 -34.192 -15.240 1.00 53.43 C ATOM 1002 CE1 PHE A 62 -16.318 -31.461 -14.915 1.00 23.35 C ATOM 1003 CE2 PHE A 62 -15.811 -33.444 -16.150 1.00 73.31 C ATOM 1004 CZ PHE A 62 -15.702 -32.077 -15.986 1.00 64.43 C ATOM 0 H PHE A 62 -15.319 -34.091 -11.545 1.00 52.42 H new ATOM 0 HA PHE A 62 -17.396 -33.294 -11.414 1.00 64.33 H new ATOM 0 HB2 PHE A 62 -17.955 -35.441 -13.501 1.00 64.11 H new ATOM 0 HB3 PHE A 62 -18.978 -34.056 -13.173 1.00 64.11 H new ATOM 0 HD1 PHE A 62 -17.518 -31.727 -13.171 1.00 1.33 H new ATOM 0 HD2 PHE A 62 -16.616 -35.261 -15.372 1.00 53.43 H new ATOM 0 HE1 PHE A 62 -16.236 -30.392 -14.786 1.00 23.35 H new ATOM 0 HE2 PHE A 62 -15.331 -33.928 -16.988 1.00 73.31 H new ATOM 0 HZ PHE A 62 -15.136 -31.491 -16.695 1.00 64.43 H new ATOM 1014 N ASP A 63 -17.699 -35.596 -9.702 1.00 34.22 N ATOM 1015 CA ASP A 63 -18.435 -36.385 -8.721 1.00 34.23 C ATOM 1016 C ASP A 63 -18.073 -35.962 -7.301 1.00 2.03 C ATOM 1017 O ASP A 63 -16.896 -35.870 -6.951 1.00 52.41 O ATOM 1018 CB ASP A 63 -18.146 -37.875 -8.912 1.00 1.21 C ATOM 1019 CG ASP A 63 -18.999 -38.496 -10.000 1.00 54.53 C ATOM 1020 OD1 ASP A 63 -20.188 -38.772 -9.736 1.00 52.33 O ATOM 1021 OD2 ASP A 63 -18.478 -38.706 -11.116 1.00 15.12 O ATOM 0 H ASP A 63 -16.722 -35.429 -9.462 1.00 34.22 H new ATOM 0 HA ASP A 63 -19.499 -36.207 -8.874 1.00 34.23 H new ATOM 0 HB2 ASP A 63 -17.093 -38.009 -9.159 1.00 1.21 H new ATOM 0 HB3 ASP A 63 -18.322 -38.399 -7.973 1.00 1.21 H new ATOM 1026 N SER A 64 -19.092 -35.705 -6.487 1.00 2.02 N ATOM 1027 CA SER A 64 -18.881 -35.287 -5.106 1.00 4.50 C ATOM 1028 C SER A 64 -18.630 -36.492 -4.205 1.00 61.23 C ATOM 1029 O SER A 64 -19.568 -37.111 -3.703 1.00 61.51 O ATOM 1030 CB SER A 64 -20.090 -34.499 -4.599 1.00 33.44 C ATOM 1031 OG SER A 64 -21.302 -35.081 -5.048 1.00 50.41 O ATOM 0 H SER A 64 -20.072 -35.779 -6.760 1.00 2.02 H new ATOM 0 HA SER A 64 -18.000 -34.645 -5.078 1.00 4.50 H new ATOM 0 HB2 SER A 64 -20.078 -34.470 -3.509 1.00 33.44 H new ATOM 0 HB3 SER A 64 -20.028 -33.468 -4.946 1.00 33.44 H new ATOM 0 HG SER A 64 -21.325 -36.027 -4.792 1.00 50.41 H new ATOM 1037 N ASP A 65 -17.358 -36.819 -4.006 1.00 21.21 N ATOM 1038 CA ASP A 65 -16.982 -37.950 -3.165 1.00 42.12 C ATOM 1039 C ASP A 65 -17.348 -37.689 -1.708 1.00 13.24 C ATOM 1040 O ASP A 65 -16.631 -36.990 -0.991 1.00 20.13 O ATOM 1041 CB ASP A 65 -15.482 -38.226 -3.285 1.00 52.34 C ATOM 1042 CG ASP A 65 -15.111 -39.620 -2.820 1.00 2.23 C ATOM 1043 OD1 ASP A 65 -15.957 -40.276 -2.178 1.00 34.53 O ATOM 1044 OD2 ASP A 65 -13.974 -40.055 -3.098 1.00 1.41 O ATOM 0 H ASP A 65 -16.570 -36.317 -4.415 1.00 21.21 H new ATOM 0 HA ASP A 65 -17.533 -38.825 -3.508 1.00 42.12 H new ATOM 0 HB2 ASP A 65 -15.174 -38.098 -4.323 1.00 52.34 H new ATOM 0 HB3 ASP A 65 -14.932 -37.491 -2.697 1.00 52.34 H new ATOM 1049 N THR A 66 -18.471 -38.254 -1.274 1.00 70.15 N ATOM 1050 CA THR A 66 -18.934 -38.081 0.096 1.00 14.04 C ATOM 1051 C THR A 66 -18.760 -36.639 0.558 1.00 53.54 C ATOM 1052 O THR A 66 -18.508 -36.379 1.733 1.00 32.24 O ATOM 1053 CB THR A 66 -18.182 -39.012 1.066 1.00 70.34 C ATOM 1054 OG1 THR A 66 -18.778 -38.950 2.366 1.00 23.23 O ATOM 1055 CG2 THR A 66 -16.713 -38.627 1.156 1.00 53.41 C ATOM 0 H THR A 66 -19.076 -38.836 -1.853 1.00 70.15 H new ATOM 0 HA THR A 66 -19.993 -38.338 0.105 1.00 14.04 H new ATOM 0 HB THR A 66 -18.251 -40.031 0.684 1.00 70.34 H new ATOM 0 HG1 THR A 66 -18.902 -38.013 2.624 1.00 23.23 H new ATOM 0 HG21 THR A 66 -16.203 -39.298 1.847 1.00 53.41 H new ATOM 0 HG22 THR A 66 -16.255 -38.705 0.170 1.00 53.41 H new ATOM 0 HG23 THR A 66 -16.627 -37.602 1.516 1.00 53.41 H new ATOM 1063 N ASN A 67 -18.897 -35.703 -0.376 1.00 51.14 N ATOM 1064 CA ASN A 67 -18.755 -34.285 -0.065 1.00 22.33 C ATOM 1065 C ASN A 67 -17.522 -34.039 0.800 1.00 34.54 C ATOM 1066 O ASN A 67 -17.560 -33.250 1.744 1.00 13.20 O ATOM 1067 CB ASN A 67 -20.005 -33.771 0.652 1.00 73.24 C ATOM 1068 CG ASN A 67 -20.501 -32.457 0.079 1.00 24.20 C ATOM 1069 OD1 ASN A 67 -21.700 -32.269 -0.126 1.00 21.34 O ATOM 1070 ND2 ASN A 67 -19.576 -31.540 -0.183 1.00 33.33 N ATOM 0 H ASN A 67 -19.106 -35.901 -1.354 1.00 51.14 H new ATOM 0 HA ASN A 67 -18.634 -33.743 -1.003 1.00 22.33 H new ATOM 0 HB2 ASN A 67 -20.796 -34.518 0.579 1.00 73.24 H new ATOM 0 HB3 ASN A 67 -19.786 -33.642 1.712 1.00 73.24 H new ATOM 0 HD21 ASN A 67 -19.849 -30.637 -0.570 1.00 33.33 H new ATOM 0 HD22 ASN A 67 -18.593 -31.739 0.003 1.00 33.33 H new ATOM 1077 N VAL A 68 -16.430 -34.721 0.471 1.00 23.35 N ATOM 1078 CA VAL A 68 -15.185 -34.576 1.217 1.00 61.24 C ATOM 1079 C VAL A 68 -14.808 -33.108 1.377 1.00 53.32 C ATOM 1080 O VAL A 68 -14.160 -32.726 2.351 1.00 2.44 O ATOM 1081 CB VAL A 68 -14.027 -35.319 0.525 1.00 63.34 C ATOM 1082 CG1 VAL A 68 -12.686 -34.785 1.005 1.00 12.23 C ATOM 1083 CG2 VAL A 68 -14.132 -36.817 0.771 1.00 53.30 C ATOM 0 H VAL A 68 -16.382 -35.379 -0.307 1.00 23.35 H new ATOM 0 HA VAL A 68 -15.353 -35.014 2.201 1.00 61.24 H new ATOM 0 HB VAL A 68 -14.097 -35.144 -0.549 1.00 63.34 H new ATOM 0 HG11 VAL A 68 -11.880 -35.322 0.505 1.00 12.23 H new ATOM 0 HG12 VAL A 68 -12.613 -33.723 0.772 1.00 12.23 H new ATOM 0 HG13 VAL A 68 -12.602 -34.927 2.083 1.00 12.23 H new ATOM 0 HG21 VAL A 68 -13.306 -37.326 0.275 1.00 53.30 H new ATOM 0 HG22 VAL A 68 -14.089 -37.014 1.842 1.00 53.30 H new ATOM 0 HG23 VAL A 68 -15.077 -37.186 0.372 1.00 53.30 H new ATOM 1093 N ILE A 69 -15.219 -32.289 0.415 1.00 53.24 N ATOM 1094 CA ILE A 69 -14.926 -30.861 0.450 1.00 73.40 C ATOM 1095 C ILE A 69 -15.584 -30.195 1.654 1.00 42.13 C ATOM 1096 O ILE A 69 -14.909 -29.591 2.487 1.00 2.42 O ATOM 1097 CB ILE A 69 -15.401 -30.157 -0.835 1.00 65.31 C ATOM 1098 CG1 ILE A 69 -14.729 -30.780 -2.061 1.00 52.41 C ATOM 1099 CG2 ILE A 69 -15.105 -28.667 -0.762 1.00 51.31 C ATOM 1100 CD1 ILE A 69 -13.218 -30.776 -1.990 1.00 32.15 C ATOM 0 H ILE A 69 -15.756 -32.590 -0.398 1.00 53.24 H new ATOM 0 HA ILE A 69 -13.843 -30.763 0.529 1.00 73.40 H new ATOM 0 HB ILE A 69 -16.479 -30.289 -0.928 1.00 65.31 H new ATOM 0 HG12 ILE A 69 -15.077 -31.807 -2.173 1.00 52.41 H new ATOM 0 HG13 ILE A 69 -15.044 -30.238 -2.953 1.00 52.41 H new ATOM 0 HG21 ILE A 69 -15.446 -28.183 -1.677 1.00 51.31 H new ATOM 0 HG22 ILE A 69 -15.625 -28.234 0.093 1.00 51.31 H new ATOM 0 HG23 ILE A 69 -14.032 -28.514 -0.649 1.00 51.31 H new ATOM 0 HD11 ILE A 69 -12.810 -31.233 -2.892 1.00 32.15 H new ATOM 0 HD12 ILE A 69 -12.860 -29.750 -1.909 1.00 32.15 H new ATOM 0 HD13 ILE A 69 -12.893 -31.343 -1.118 1.00 32.15 H new ATOM 1112 N ASP A 70 -16.904 -30.311 1.739 1.00 54.12 N ATOM 1113 CA ASP A 70 -17.654 -29.722 2.843 1.00 70.15 C ATOM 1114 C ASP A 70 -17.243 -30.346 4.172 1.00 33.45 C ATOM 1115 O ASP A 70 -17.307 -29.701 5.219 1.00 32.31 O ATOM 1116 CB ASP A 70 -19.156 -29.905 2.622 1.00 54.14 C ATOM 1117 CG ASP A 70 -19.980 -29.388 3.785 1.00 23.30 C ATOM 1118 OD1 ASP A 70 -19.650 -28.305 4.310 1.00 43.51 O ATOM 1119 OD2 ASP A 70 -20.954 -30.068 4.171 1.00 23.23 O ATOM 0 H ASP A 70 -17.477 -30.807 1.057 1.00 54.12 H new ATOM 0 HA ASP A 70 -17.427 -28.656 2.877 1.00 70.15 H new ATOM 0 HB2 ASP A 70 -19.452 -29.385 1.711 1.00 54.14 H new ATOM 0 HB3 ASP A 70 -19.372 -30.963 2.470 1.00 54.14 H new ATOM 1124 N VAL A 71 -16.822 -31.606 4.124 1.00 34.32 N ATOM 1125 CA VAL A 71 -16.401 -32.318 5.325 1.00 71.22 C ATOM 1126 C VAL A 71 -15.013 -31.872 5.769 1.00 22.35 C ATOM 1127 O VAL A 71 -14.716 -31.831 6.963 1.00 43.31 O ATOM 1128 CB VAL A 71 -16.391 -33.842 5.100 1.00 53.15 C ATOM 1129 CG1 VAL A 71 -15.919 -34.564 6.352 1.00 31.02 C ATOM 1130 CG2 VAL A 71 -17.771 -34.327 4.683 1.00 74.34 C ATOM 0 H VAL A 71 -16.763 -32.155 3.266 1.00 34.32 H new ATOM 0 HA VAL A 71 -17.124 -32.078 6.105 1.00 71.22 H new ATOM 0 HB VAL A 71 -15.692 -34.068 4.295 1.00 53.15 H new ATOM 0 HG11 VAL A 71 -15.919 -35.639 6.174 1.00 31.02 H new ATOM 0 HG12 VAL A 71 -14.910 -34.237 6.602 1.00 31.02 H new ATOM 0 HG13 VAL A 71 -16.590 -34.334 7.180 1.00 31.02 H new ATOM 0 HG21 VAL A 71 -17.746 -35.406 4.528 1.00 74.34 H new ATOM 0 HG22 VAL A 71 -18.492 -34.089 5.465 1.00 74.34 H new ATOM 0 HG23 VAL A 71 -18.065 -33.834 3.756 1.00 74.34 H new ATOM 1140 N ALA A 72 -14.166 -31.539 4.801 1.00 61.10 N ATOM 1141 CA ALA A 72 -12.809 -31.093 5.092 1.00 31.45 C ATOM 1142 C ALA A 72 -12.814 -29.732 5.780 1.00 71.13 C ATOM 1143 O ALA A 72 -12.026 -29.483 6.692 1.00 33.34 O ATOM 1144 CB ALA A 72 -11.985 -31.039 3.814 1.00 15.53 C ATOM 0 H ALA A 72 -14.396 -31.570 3.808 1.00 61.10 H new ATOM 0 HA ALA A 72 -12.355 -31.813 5.773 1.00 31.45 H new ATOM 0 HB1 ALA A 72 -10.974 -30.704 4.047 1.00 15.53 H new ATOM 0 HB2 ALA A 72 -11.944 -32.031 3.365 1.00 15.53 H new ATOM 0 HB3 ALA A 72 -12.445 -30.342 3.113 1.00 15.53 H new ATOM 1150 N VAL A 73 -13.706 -28.853 5.335 1.00 75.11 N ATOM 1151 CA VAL A 73 -13.814 -27.517 5.907 1.00 11.55 C ATOM 1152 C VAL A 73 -14.533 -27.551 7.251 1.00 13.33 C ATOM 1153 O VAL A 73 -14.201 -26.794 8.164 1.00 72.10 O ATOM 1154 CB VAL A 73 -14.563 -26.559 4.961 1.00 23.12 C ATOM 1155 CG1 VAL A 73 -15.974 -27.062 4.700 1.00 53.22 C ATOM 1156 CG2 VAL A 73 -14.587 -25.152 5.538 1.00 14.22 C ATOM 0 H VAL A 73 -14.365 -29.043 4.580 1.00 75.11 H new ATOM 0 HA VAL A 73 -12.797 -27.152 6.051 1.00 11.55 H new ATOM 0 HB VAL A 73 -14.033 -26.527 4.009 1.00 23.12 H new ATOM 0 HG11 VAL A 73 -16.488 -26.373 4.030 1.00 53.22 H new ATOM 0 HG12 VAL A 73 -15.929 -28.049 4.240 1.00 53.22 H new ATOM 0 HG13 VAL A 73 -16.518 -27.125 5.642 1.00 53.22 H new ATOM 0 HG21 VAL A 73 -15.120 -24.488 4.857 1.00 14.22 H new ATOM 0 HG22 VAL A 73 -15.093 -25.163 6.503 1.00 14.22 H new ATOM 0 HG23 VAL A 73 -13.566 -24.794 5.668 1.00 14.22 H new ATOM 1166 N ARG A 74 -15.520 -28.434 7.366 1.00 41.31 N ATOM 1167 CA ARG A 74 -16.287 -28.566 8.598 1.00 31.35 C ATOM 1168 C ARG A 74 -15.475 -29.289 9.669 1.00 32.41 C ATOM 1169 O ARG A 74 -15.513 -28.923 10.844 1.00 43.12 O ATOM 1170 CB ARG A 74 -17.590 -29.322 8.334 1.00 35.52 C ATOM 1171 CG ARG A 74 -18.614 -28.517 7.551 1.00 40.31 C ATOM 1172 CD ARG A 74 -19.330 -27.511 8.439 1.00 22.55 C ATOM 1173 NE ARG A 74 -20.534 -28.075 9.044 1.00 60.13 N ATOM 1174 CZ ARG A 74 -21.652 -28.316 8.368 1.00 63.34 C ATOM 1175 NH1 ARG A 74 -21.718 -28.045 7.072 1.00 50.25 N ATOM 1176 NH2 ARG A 74 -22.706 -28.831 8.988 1.00 41.31 N ATOM 0 H ARG A 74 -15.807 -29.068 6.621 1.00 41.31 H new ATOM 0 HA ARG A 74 -16.523 -27.565 8.959 1.00 31.35 H new ATOM 0 HB2 ARG A 74 -17.364 -30.237 7.787 1.00 35.52 H new ATOM 0 HB3 ARG A 74 -18.027 -29.620 9.287 1.00 35.52 H new ATOM 0 HG2 ARG A 74 -18.119 -27.994 6.733 1.00 40.31 H new ATOM 0 HG3 ARG A 74 -19.343 -29.192 7.103 1.00 40.31 H new ATOM 0 HD2 ARG A 74 -18.653 -27.174 9.224 1.00 22.55 H new ATOM 0 HD3 ARG A 74 -19.597 -26.633 7.850 1.00 22.55 H new ATOM 0 HE ARG A 74 -20.515 -28.296 10.040 1.00 60.13 H new ATOM 0 HH11 ARG A 74 -20.909 -27.651 6.592 1.00 50.25 H new ATOM 0 HH12 ARG A 74 -22.578 -28.231 6.555 1.00 50.25 H new ATOM 0 HH21 ARG A 74 -22.658 -29.042 9.985 1.00 41.31 H new ATOM 0 HH22 ARG A 74 -23.564 -29.016 8.468 1.00 41.31 H new ATOM 1190 N ARG A 75 -14.743 -30.318 9.255 1.00 62.21 N ATOM 1191 CA ARG A 75 -13.923 -31.094 10.178 1.00 14.43 C ATOM 1192 C ARG A 75 -12.767 -30.255 10.715 1.00 61.14 C ATOM 1193 O ARG A 75 -12.430 -30.327 11.897 1.00 23.22 O ATOM 1194 CB ARG A 75 -13.382 -32.345 9.485 1.00 24.12 C ATOM 1195 CG ARG A 75 -12.269 -32.057 8.490 1.00 13.02 C ATOM 1196 CD ARG A 75 -11.809 -33.324 7.787 1.00 71.23 C ATOM 1197 NE ARG A 75 -11.205 -34.277 8.715 1.00 51.35 N ATOM 1198 CZ ARG A 75 -9.949 -34.194 9.138 1.00 62.40 C ATOM 1199 NH1 ARG A 75 -9.168 -33.208 8.719 1.00 22.22 N ATOM 1200 NH2 ARG A 75 -9.471 -35.100 9.983 1.00 54.44 N ATOM 0 H ARG A 75 -14.701 -30.634 8.286 1.00 62.21 H new ATOM 0 HA ARG A 75 -14.550 -31.395 11.017 1.00 14.43 H new ATOM 0 HB2 ARG A 75 -13.012 -33.037 10.241 1.00 24.12 H new ATOM 0 HB3 ARG A 75 -14.200 -32.846 8.967 1.00 24.12 H new ATOM 0 HG2 ARG A 75 -12.618 -31.336 7.751 1.00 13.02 H new ATOM 0 HG3 ARG A 75 -11.426 -31.600 9.008 1.00 13.02 H new ATOM 0 HD2 ARG A 75 -12.659 -33.791 7.290 1.00 71.23 H new ATOM 0 HD3 ARG A 75 -11.088 -33.067 7.011 1.00 71.23 H new ATOM 0 HE ARG A 75 -11.779 -35.048 9.056 1.00 51.35 H new ATOM 0 HH11 ARG A 75 -9.531 -32.510 8.070 1.00 22.22 H new ATOM 0 HH12 ARG A 75 -8.204 -33.147 9.046 1.00 22.22 H new ATOM 0 HH21 ARG A 75 -10.069 -35.860 10.307 1.00 54.44 H new ATOM 0 HH22 ARG A 75 -8.506 -35.036 10.308 1.00 54.44 H new ATOM 1214 N LEU A 76 -12.163 -29.461 9.838 1.00 44.12 N ATOM 1215 CA LEU A 76 -11.043 -28.608 10.222 1.00 20.45 C ATOM 1216 C LEU A 76 -11.518 -27.438 11.077 1.00 33.14 C ATOM 1217 O LEU A 76 -10.809 -26.985 11.976 1.00 14.12 O ATOM 1218 CB LEU A 76 -10.323 -28.086 8.978 1.00 61.30 C ATOM 1219 CG LEU A 76 -10.805 -26.739 8.439 1.00 74.21 C ATOM 1220 CD1 LEU A 76 -10.159 -25.595 9.205 1.00 34.31 C ATOM 1221 CD2 LEU A 76 -10.508 -26.622 6.951 1.00 24.52 C ATOM 0 H LEU A 76 -12.430 -29.390 8.856 1.00 44.12 H new ATOM 0 HA LEU A 76 -10.348 -29.207 10.811 1.00 20.45 H new ATOM 0 HB2 LEU A 76 -9.260 -28.004 9.205 1.00 61.30 H new ATOM 0 HB3 LEU A 76 -10.423 -28.828 8.186 1.00 61.30 H new ATOM 0 HG LEU A 76 -11.884 -26.679 8.579 1.00 74.21 H new ATOM 0 HD11 LEU A 76 -10.514 -24.644 8.807 1.00 34.31 H new ATOM 0 HD12 LEU A 76 -10.423 -25.668 10.260 1.00 34.31 H new ATOM 0 HD13 LEU A 76 -9.076 -25.651 9.098 1.00 34.31 H new ATOM 0 HD21 LEU A 76 -10.858 -25.657 6.585 1.00 24.52 H new ATOM 0 HD22 LEU A 76 -9.434 -26.704 6.787 1.00 24.52 H new ATOM 0 HD23 LEU A 76 -11.019 -27.421 6.414 1.00 24.52 H new ATOM 1233 N ARG A 77 -12.723 -26.955 10.793 1.00 51.25 N ATOM 1234 CA ARG A 77 -13.294 -25.838 11.536 1.00 63.00 C ATOM 1235 C ARG A 77 -13.516 -26.215 12.998 1.00 45.21 C ATOM 1236 O ARG A 77 -13.190 -25.447 13.903 1.00 21.24 O ATOM 1237 CB ARG A 77 -14.617 -25.400 10.905 1.00 64.13 C ATOM 1238 CG ARG A 77 -15.156 -24.094 11.464 1.00 4.14 C ATOM 1239 CD ARG A 77 -16.165 -24.338 12.575 1.00 75.22 C ATOM 1240 NE ARG A 77 -17.412 -24.904 12.066 1.00 21.32 N ATOM 1241 CZ ARG A 77 -18.441 -25.230 12.840 1.00 10.05 C ATOM 1242 NH1 ARG A 77 -18.373 -25.046 14.152 1.00 44.03 N ATOM 1243 NH2 ARG A 77 -19.542 -25.740 12.303 1.00 23.32 N ATOM 0 H ARG A 77 -13.323 -27.320 10.053 1.00 51.25 H new ATOM 0 HA ARG A 77 -12.588 -25.009 11.495 1.00 63.00 H new ATOM 0 HB2 ARG A 77 -14.479 -25.295 9.829 1.00 64.13 H new ATOM 0 HB3 ARG A 77 -15.359 -26.184 11.057 1.00 64.13 H new ATOM 0 HG2 ARG A 77 -14.331 -23.492 11.846 1.00 4.14 H new ATOM 0 HG3 ARG A 77 -15.625 -23.521 10.664 1.00 4.14 H new ATOM 0 HD2 ARG A 77 -15.735 -25.014 13.314 1.00 75.22 H new ATOM 0 HD3 ARG A 77 -16.375 -23.399 13.087 1.00 75.22 H new ATOM 0 HE ARG A 77 -17.497 -25.057 11.061 1.00 21.32 H new ATOM 0 HH11 ARG A 77 -17.529 -24.653 14.569 1.00 44.03 H new ATOM 0 HH12 ARG A 77 -19.165 -25.297 14.744 1.00 44.03 H new ATOM 0 HH21 ARG A 77 -19.599 -25.882 11.295 1.00 23.32 H new ATOM 0 HH22 ARG A 77 -20.331 -25.990 12.899 1.00 23.32 H new ATOM 1257 N SER A 78 -14.072 -27.401 13.220 1.00 72.20 N ATOM 1258 CA SER A 78 -14.342 -27.878 14.571 1.00 22.14 C ATOM 1259 C SER A 78 -13.081 -28.461 15.203 1.00 13.23 C ATOM 1260 O SER A 78 -13.098 -28.914 16.348 1.00 14.31 O ATOM 1261 CB SER A 78 -15.450 -28.933 14.551 1.00 10.42 C ATOM 1262 OG SER A 78 -15.471 -29.627 13.316 1.00 53.42 O ATOM 0 H SER A 78 -14.344 -28.050 12.482 1.00 72.20 H new ATOM 0 HA SER A 78 -14.670 -27.029 15.171 1.00 22.14 H new ATOM 0 HB2 SER A 78 -15.298 -29.640 15.367 1.00 10.42 H new ATOM 0 HB3 SER A 78 -16.415 -28.455 14.719 1.00 10.42 H new ATOM 0 HG SER A 78 -15.845 -29.046 12.621 1.00 53.42 H new ATOM 1268 N LYS A 79 -11.988 -28.446 14.449 1.00 43.12 N ATOM 1269 CA LYS A 79 -10.716 -28.971 14.933 1.00 54.13 C ATOM 1270 C LYS A 79 -9.943 -27.902 15.699 1.00 62.53 C ATOM 1271 O LYS A 79 -9.089 -28.217 16.529 1.00 14.40 O ATOM 1272 CB LYS A 79 -9.875 -29.485 13.762 1.00 3.45 C ATOM 1273 CG LYS A 79 -9.980 -30.985 13.550 1.00 54.23 C ATOM 1274 CD LYS A 79 -9.310 -31.413 12.255 1.00 51.00 C ATOM 1275 CE LYS A 79 -8.744 -32.821 12.360 1.00 43.34 C ATOM 1276 NZ LYS A 79 -7.427 -32.941 11.674 1.00 75.44 N ATOM 0 H LYS A 79 -11.957 -28.076 13.499 1.00 43.12 H new ATOM 0 HA LYS A 79 -10.926 -29.798 15.611 1.00 54.13 H new ATOM 0 HB2 LYS A 79 -10.187 -28.975 12.850 1.00 3.45 H new ATOM 0 HB3 LYS A 79 -8.831 -29.223 13.933 1.00 3.45 H new ATOM 0 HG2 LYS A 79 -9.518 -31.505 14.389 1.00 54.23 H new ATOM 0 HG3 LYS A 79 -11.030 -31.278 13.532 1.00 54.23 H new ATOM 0 HD2 LYS A 79 -10.031 -31.369 11.439 1.00 51.00 H new ATOM 0 HD3 LYS A 79 -8.509 -30.715 12.010 1.00 51.00 H new ATOM 0 HE2 LYS A 79 -8.633 -33.090 13.410 1.00 43.34 H new ATOM 0 HE3 LYS A 79 -9.448 -33.529 11.922 1.00 43.34 H new ATOM 0 HZ1 LYS A 79 -7.202 -33.946 11.528 1.00 75.44 H new ATOM 0 HZ2 LYS A 79 -7.470 -32.459 10.753 1.00 75.44 H new ATOM 0 HZ3 LYS A 79 -6.689 -32.502 12.261 1.00 75.44 H new ATOM 1290 N ILE A 80 -10.247 -26.641 15.415 1.00 15.44 N ATOM 1291 CA ILE A 80 -9.582 -25.527 16.080 1.00 11.10 C ATOM 1292 C ILE A 80 -10.515 -24.328 16.210 1.00 11.25 C ATOM 1293 O ILE A 80 -10.587 -23.696 17.265 1.00 42.14 O ATOM 1294 CB ILE A 80 -8.313 -25.096 15.321 1.00 11.54 C ATOM 1295 CG1 ILE A 80 -7.706 -23.848 15.967 1.00 70.12 C ATOM 1296 CG2 ILE A 80 -8.633 -24.838 13.857 1.00 74.14 C ATOM 1297 CD1 ILE A 80 -7.372 -24.027 17.431 1.00 32.23 C ATOM 0 H ILE A 80 -10.949 -26.365 14.729 1.00 15.44 H new ATOM 0 HA ILE A 80 -9.301 -25.875 17.074 1.00 11.10 H new ATOM 0 HB ILE A 80 -7.583 -25.903 15.376 1.00 11.54 H new ATOM 0 HG12 ILE A 80 -6.800 -23.573 15.427 1.00 70.12 H new ATOM 0 HG13 ILE A 80 -8.404 -23.018 15.861 1.00 70.12 H new ATOM 0 HG21 ILE A 80 -7.726 -24.534 13.334 1.00 74.14 H new ATOM 0 HG22 ILE A 80 -9.025 -25.749 13.404 1.00 74.14 H new ATOM 0 HG23 ILE A 80 -9.378 -24.046 13.782 1.00 74.14 H new ATOM 0 HD11 ILE A 80 -6.946 -23.103 17.823 1.00 32.23 H new ATOM 0 HD12 ILE A 80 -8.279 -24.271 17.984 1.00 32.23 H new ATOM 0 HD13 ILE A 80 -6.650 -24.836 17.543 1.00 32.23 H new ATOM 1309 N ASP A 81 -11.230 -24.021 15.133 1.00 25.33 N ATOM 1310 CA ASP A 81 -12.161 -22.899 15.128 1.00 73.55 C ATOM 1311 C ASP A 81 -13.370 -23.193 16.011 1.00 40.51 C ATOM 1312 O ASP A 81 -14.159 -22.298 16.317 1.00 23.33 O ATOM 1313 CB ASP A 81 -12.619 -22.596 13.700 1.00 61.30 C ATOM 1314 CG ASP A 81 -11.931 -21.377 13.118 1.00 10.12 C ATOM 1315 OD1 ASP A 81 -10.696 -21.263 13.269 1.00 34.13 O ATOM 1316 OD2 ASP A 81 -12.627 -20.537 12.511 1.00 12.21 O ATOM 0 H ASP A 81 -11.183 -24.534 14.252 1.00 25.33 H new ATOM 0 HA ASP A 81 -11.644 -22.027 15.529 1.00 73.55 H new ATOM 0 HB2 ASP A 81 -12.419 -23.460 13.066 1.00 61.30 H new ATOM 0 HB3 ASP A 81 -13.698 -22.439 13.693 1.00 61.30 H new ATOM 1321 N ASP A 82 -13.509 -24.450 16.416 1.00 53.02 N ATOM 1322 CA ASP A 82 -14.622 -24.861 17.264 1.00 21.31 C ATOM 1323 C ASP A 82 -14.761 -23.933 18.466 1.00 0.43 C ATOM 1324 O ASP A 82 -15.868 -23.678 18.942 1.00 43.45 O ATOM 1325 CB ASP A 82 -14.425 -26.302 17.737 1.00 22.33 C ATOM 1326 CG ASP A 82 -15.740 -27.016 17.984 1.00 45.31 C ATOM 1327 OD1 ASP A 82 -16.283 -26.888 19.101 1.00 51.34 O ATOM 1328 OD2 ASP A 82 -16.225 -27.703 17.060 1.00 4.24 O ATOM 0 H ASP A 82 -12.865 -25.202 16.171 1.00 53.02 H new ATOM 0 HA ASP A 82 -15.537 -24.802 16.674 1.00 21.31 H new ATOM 0 HB2 ASP A 82 -13.852 -26.851 16.990 1.00 22.33 H new ATOM 0 HB3 ASP A 82 -13.837 -26.303 18.655 1.00 22.33 H new ATOM 1333 N ASP A 83 -13.631 -23.431 18.954 1.00 75.04 N ATOM 1334 CA ASP A 83 -13.627 -22.530 20.101 1.00 61.54 C ATOM 1335 C ASP A 83 -12.450 -21.563 20.027 1.00 24.23 C ATOM 1336 O ASP A 83 -11.704 -21.403 20.993 1.00 5.35 O ATOM 1337 CB ASP A 83 -13.566 -23.330 21.403 1.00 11.32 C ATOM 1338 CG ASP A 83 -13.970 -22.504 22.609 1.00 55.34 C ATOM 1339 OD1 ASP A 83 -14.434 -21.360 22.416 1.00 0.01 O ATOM 1340 OD2 ASP A 83 -13.824 -23.001 23.744 1.00 32.43 O ATOM 0 H ASP A 83 -12.707 -23.633 18.573 1.00 75.04 H new ATOM 0 HA ASP A 83 -14.551 -21.951 20.082 1.00 61.54 H new ATOM 0 HB2 ASP A 83 -14.221 -24.197 21.324 1.00 11.32 H new ATOM 0 HB3 ASP A 83 -12.554 -23.707 21.547 1.00 11.32 H new ATOM 1345 N PHE A 84 -12.288 -20.922 18.875 1.00 54.42 N ATOM 1346 CA PHE A 84 -11.200 -19.971 18.674 1.00 34.54 C ATOM 1347 C PHE A 84 -11.662 -18.786 17.832 1.00 11.34 C ATOM 1348 O PHE A 84 -11.653 -17.644 18.292 1.00 30.42 O ATOM 1349 CB PHE A 84 -10.012 -20.659 17.999 1.00 72.32 C ATOM 1350 CG PHE A 84 -9.063 -21.304 18.968 1.00 61.44 C ATOM 1351 CD1 PHE A 84 -9.406 -22.480 19.615 1.00 21.15 C ATOM 1352 CD2 PHE A 84 -7.828 -20.735 19.231 1.00 44.41 C ATOM 1353 CE1 PHE A 84 -8.534 -23.077 20.507 1.00 14.53 C ATOM 1354 CE2 PHE A 84 -6.952 -21.327 20.121 1.00 1.43 C ATOM 1355 CZ PHE A 84 -7.306 -22.498 20.761 1.00 32.32 C ATOM 0 H PHE A 84 -12.896 -21.043 18.065 1.00 54.42 H new ATOM 0 HA PHE A 84 -10.889 -19.600 19.651 1.00 34.54 H new ATOM 0 HB2 PHE A 84 -10.385 -21.416 17.309 1.00 72.32 H new ATOM 0 HB3 PHE A 84 -9.468 -19.926 17.404 1.00 72.32 H new ATOM 0 HD1 PHE A 84 -10.366 -22.936 19.421 1.00 21.15 H new ATOM 0 HD2 PHE A 84 -7.546 -19.818 18.735 1.00 44.41 H new ATOM 0 HE1 PHE A 84 -8.813 -23.994 21.004 1.00 14.53 H new ATOM 0 HE2 PHE A 84 -5.991 -20.874 20.316 1.00 1.43 H new ATOM 0 HZ PHE A 84 -6.624 -22.960 21.459 1.00 32.32 H new ATOM 1365 N GLU A 85 -12.064 -19.066 16.597 1.00 54.23 N ATOM 1366 CA GLU A 85 -12.528 -18.022 15.690 1.00 72.20 C ATOM 1367 C GLU A 85 -13.976 -18.267 15.274 1.00 42.21 C ATOM 1368 O GLU A 85 -14.499 -19.376 15.378 1.00 71.41 O ATOM 1369 CB GLU A 85 -11.634 -17.958 14.450 1.00 25.23 C ATOM 1370 CG GLU A 85 -10.423 -17.056 14.619 1.00 0.43 C ATOM 1371 CD GLU A 85 -10.801 -15.637 14.998 1.00 13.02 C ATOM 1372 OE1 GLU A 85 -11.026 -14.819 14.082 1.00 51.33 O ATOM 1373 OE2 GLU A 85 -10.872 -15.345 16.210 1.00 14.21 O ATOM 0 H GLU A 85 -12.078 -20.006 16.201 1.00 54.23 H new ATOM 0 HA GLU A 85 -12.475 -17.069 16.217 1.00 72.20 H new ATOM 0 HB2 GLU A 85 -11.295 -18.964 14.204 1.00 25.23 H new ATOM 0 HB3 GLU A 85 -12.224 -17.605 13.605 1.00 25.23 H new ATOM 0 HG2 GLU A 85 -9.770 -17.471 15.386 1.00 0.43 H new ATOM 0 HG3 GLU A 85 -9.854 -17.040 13.690 1.00 0.43 H new ATOM 1380 N PRO A 86 -14.640 -17.206 14.791 1.00 3.15 N ATOM 1381 CA PRO A 86 -16.036 -17.279 14.350 1.00 64.31 C ATOM 1382 C PRO A 86 -16.196 -18.087 13.066 1.00 1.43 C ATOM 1383 O PRO A 86 -15.211 -18.505 12.456 1.00 15.33 O ATOM 1384 CB PRO A 86 -16.409 -15.814 14.110 1.00 33.44 C ATOM 1385 CG PRO A 86 -15.115 -15.136 13.820 1.00 53.13 C ATOM 1386 CD PRO A 86 -14.078 -15.853 14.639 1.00 14.03 C ATOM 0 HA PRO A 86 -16.670 -17.780 15.082 1.00 64.31 H new ATOM 0 HB2 PRO A 86 -17.104 -15.714 13.276 1.00 33.44 H new ATOM 0 HB3 PRO A 86 -16.896 -15.381 14.984 1.00 33.44 H new ATOM 0 HG2 PRO A 86 -14.877 -15.188 12.758 1.00 53.13 H new ATOM 0 HG3 PRO A 86 -15.160 -14.080 14.086 1.00 53.13 H new ATOM 0 HD2 PRO A 86 -13.112 -15.873 14.135 1.00 14.03 H new ATOM 0 HD3 PRO A 86 -13.924 -15.371 15.604 1.00 14.03 H new ATOM 1394 N LYS A 87 -17.442 -18.303 12.660 1.00 15.45 N ATOM 1395 CA LYS A 87 -17.733 -19.059 11.448 1.00 42.51 C ATOM 1396 C LYS A 87 -17.522 -18.198 10.207 1.00 41.35 C ATOM 1397 O LYS A 87 -18.339 -17.331 9.893 1.00 32.02 O ATOM 1398 CB LYS A 87 -19.171 -19.582 11.480 1.00 4.34 C ATOM 1399 CG LYS A 87 -20.204 -18.504 11.758 1.00 0.24 C ATOM 1400 CD LYS A 87 -20.860 -18.696 13.116 1.00 65.44 C ATOM 1401 CE LYS A 87 -21.295 -17.369 13.718 1.00 71.34 C ATOM 1402 NZ LYS A 87 -22.766 -17.167 13.608 1.00 14.03 N ATOM 0 H LYS A 87 -18.268 -17.965 13.154 1.00 15.45 H new ATOM 0 HA LYS A 87 -17.047 -19.905 11.404 1.00 42.51 H new ATOM 0 HB2 LYS A 87 -19.399 -20.054 10.524 1.00 4.34 H new ATOM 0 HB3 LYS A 87 -19.251 -20.355 12.244 1.00 4.34 H new ATOM 0 HG2 LYS A 87 -19.728 -17.524 11.718 1.00 0.24 H new ATOM 0 HG3 LYS A 87 -20.966 -18.520 10.979 1.00 0.24 H new ATOM 0 HD2 LYS A 87 -21.725 -19.351 13.014 1.00 65.44 H new ATOM 0 HD3 LYS A 87 -20.163 -19.192 13.791 1.00 65.44 H new ATOM 0 HE2 LYS A 87 -21.001 -17.332 14.767 1.00 71.34 H new ATOM 0 HE3 LYS A 87 -20.777 -16.554 13.213 1.00 71.34 H new ATOM 0 HZ1 LYS A 87 -23.023 -16.252 14.029 1.00 14.03 H new ATOM 0 HZ2 LYS A 87 -23.044 -17.177 12.606 1.00 14.03 H new ATOM 0 HZ3 LYS A 87 -23.260 -17.931 14.112 1.00 14.03 H new ATOM 1416 N LEU A 88 -16.422 -18.442 9.502 1.00 33.54 N ATOM 1417 CA LEU A 88 -16.105 -17.690 8.293 1.00 23.54 C ATOM 1418 C LEU A 88 -16.442 -18.499 7.045 1.00 70.12 C ATOM 1419 O LEU A 88 -16.191 -18.059 5.922 1.00 33.43 O ATOM 1420 CB LEU A 88 -14.624 -17.307 8.282 1.00 40.11 C ATOM 1421 CG LEU A 88 -14.147 -16.438 9.446 1.00 24.11 C ATOM 1422 CD1 LEU A 88 -12.723 -15.959 9.206 1.00 32.43 C ATOM 1423 CD2 LEU A 88 -15.082 -15.255 9.647 1.00 34.03 C ATOM 0 H LEU A 88 -15.735 -19.155 9.747 1.00 33.54 H new ATOM 0 HA LEU A 88 -16.709 -16.783 8.289 1.00 23.54 H new ATOM 0 HB2 LEU A 88 -14.033 -18.223 8.272 1.00 40.11 H new ATOM 0 HB3 LEU A 88 -14.412 -16.781 7.351 1.00 40.11 H new ATOM 0 HG LEU A 88 -14.158 -17.042 10.353 1.00 24.11 H new ATOM 0 HD11 LEU A 88 -12.400 -15.342 10.045 1.00 32.43 H new ATOM 0 HD12 LEU A 88 -12.061 -16.820 9.113 1.00 32.43 H new ATOM 0 HD13 LEU A 88 -12.686 -15.372 8.288 1.00 32.43 H new ATOM 0 HD21 LEU A 88 -14.727 -14.648 10.480 1.00 34.03 H new ATOM 0 HD22 LEU A 88 -15.104 -14.650 8.740 1.00 34.03 H new ATOM 0 HD23 LEU A 88 -16.086 -15.618 9.865 1.00 34.03 H new ATOM 1435 N ILE A 89 -17.013 -19.681 7.248 1.00 33.33 N ATOM 1436 CA ILE A 89 -17.388 -20.549 6.139 1.00 70.31 C ATOM 1437 C ILE A 89 -18.707 -20.106 5.515 1.00 0.22 C ATOM 1438 O ILE A 89 -19.783 -20.415 6.027 1.00 34.22 O ATOM 1439 CB ILE A 89 -17.514 -22.017 6.590 1.00 40.53 C ATOM 1440 CG1 ILE A 89 -16.188 -22.509 7.172 1.00 22.53 C ATOM 1441 CG2 ILE A 89 -17.945 -22.894 5.424 1.00 52.42 C ATOM 1442 CD1 ILE A 89 -16.304 -23.825 7.911 1.00 41.53 C ATOM 0 H ILE A 89 -17.226 -20.060 8.171 1.00 33.33 H new ATOM 0 HA ILE A 89 -16.594 -20.472 5.397 1.00 70.31 H new ATOM 0 HB ILE A 89 -18.276 -22.079 7.367 1.00 40.53 H new ATOM 0 HG12 ILE A 89 -15.464 -22.617 6.364 1.00 22.53 H new ATOM 0 HG13 ILE A 89 -15.796 -21.753 7.852 1.00 22.53 H new ATOM 0 HG21 ILE A 89 -18.030 -23.928 5.758 1.00 52.42 H new ATOM 0 HG22 ILE A 89 -18.911 -22.553 5.050 1.00 52.42 H new ATOM 0 HG23 ILE A 89 -17.204 -22.830 4.627 1.00 52.42 H new ATOM 0 HD11 ILE A 89 -15.326 -24.113 8.297 1.00 41.53 H new ATOM 0 HD12 ILE A 89 -17.003 -23.716 8.740 1.00 41.53 H new ATOM 0 HD13 ILE A 89 -16.666 -24.594 7.229 1.00 41.53 H new ATOM 1454 N HIS A 90 -18.616 -19.380 4.405 1.00 20.31 N ATOM 1455 CA HIS A 90 -19.803 -18.896 3.709 1.00 43.20 C ATOM 1456 C HIS A 90 -19.989 -19.624 2.381 1.00 44.40 C ATOM 1457 O HIS A 90 -19.038 -19.800 1.619 1.00 64.24 O ATOM 1458 CB HIS A 90 -19.699 -17.389 3.468 1.00 33.52 C ATOM 1459 CG HIS A 90 -20.032 -16.566 4.674 1.00 4.13 C ATOM 1460 ND1 HIS A 90 -19.206 -16.475 5.775 1.00 64.43 N ATOM 1461 CD2 HIS A 90 -21.107 -15.791 4.948 1.00 32.33 C ATOM 1462 CE1 HIS A 90 -19.759 -15.682 6.674 1.00 35.11 C ATOM 1463 NE2 HIS A 90 -20.914 -15.253 6.197 1.00 71.40 N ATOM 0 H HIS A 90 -17.733 -19.114 3.969 1.00 20.31 H new ATOM 0 HA HIS A 90 -20.670 -19.097 4.338 1.00 43.20 H new ATOM 0 HB2 HIS A 90 -18.686 -17.150 3.144 1.00 33.52 H new ATOM 0 HB3 HIS A 90 -20.368 -17.112 2.653 1.00 33.52 H new ATOM 0 HD1 HIS A 90 -18.308 -16.947 5.878 1.00 64.43 H new ATOM 0 HD2 HIS A 90 -21.958 -15.626 4.304 1.00 32.33 H new ATOM 0 HE1 HIS A 90 -19.339 -15.427 7.636 1.00 35.11 H new ATOM 1471 N THR A 91 -21.220 -20.045 2.110 1.00 60.22 N ATOM 1472 CA THR A 91 -21.530 -20.755 0.876 1.00 72.44 C ATOM 1473 C THR A 91 -22.700 -20.105 0.146 1.00 1.20 C ATOM 1474 O THR A 91 -23.793 -19.973 0.697 1.00 22.23 O ATOM 1475 CB THR A 91 -21.868 -22.233 1.148 1.00 62.54 C ATOM 1476 OG1 THR A 91 -20.692 -22.936 1.566 1.00 40.34 O ATOM 1477 CG2 THR A 91 -22.444 -22.894 -0.095 1.00 74.53 C ATOM 0 H THR A 91 -22.019 -19.906 2.729 1.00 60.22 H new ATOM 0 HA THR A 91 -20.640 -20.702 0.249 1.00 72.44 H new ATOM 0 HB THR A 91 -22.615 -22.272 1.941 1.00 62.54 H new ATOM 0 HG1 THR A 91 -20.916 -23.874 1.739 1.00 40.34 H new ATOM 0 HG21 THR A 91 -22.675 -23.937 0.121 1.00 74.53 H new ATOM 0 HG22 THR A 91 -23.355 -22.375 -0.394 1.00 74.53 H new ATOM 0 HG23 THR A 91 -21.716 -22.844 -0.904 1.00 74.53 H new ATOM 1485 N VAL A 92 -22.464 -19.699 -1.098 1.00 21.32 N ATOM 1486 CA VAL A 92 -23.499 -19.064 -1.904 1.00 51.40 C ATOM 1487 C VAL A 92 -24.629 -20.038 -2.215 1.00 35.22 C ATOM 1488 O VAL A 92 -24.398 -21.232 -2.407 1.00 33.11 O ATOM 1489 CB VAL A 92 -22.926 -18.521 -3.227 1.00 10.44 C ATOM 1490 CG1 VAL A 92 -23.958 -17.665 -3.945 1.00 14.14 C ATOM 1491 CG2 VAL A 92 -21.652 -17.730 -2.970 1.00 22.31 C ATOM 0 H VAL A 92 -21.565 -19.799 -1.569 1.00 21.32 H new ATOM 0 HA VAL A 92 -23.891 -18.233 -1.318 1.00 51.40 H new ATOM 0 HB VAL A 92 -22.679 -19.366 -3.870 1.00 10.44 H new ATOM 0 HG11 VAL A 92 -23.535 -17.290 -4.877 1.00 14.14 H new ATOM 0 HG12 VAL A 92 -24.841 -18.266 -4.163 1.00 14.14 H new ATOM 0 HG13 VAL A 92 -24.239 -16.824 -3.310 1.00 14.14 H new ATOM 0 HG21 VAL A 92 -21.260 -17.354 -3.915 1.00 22.31 H new ATOM 0 HG22 VAL A 92 -21.871 -16.892 -2.309 1.00 22.31 H new ATOM 0 HG23 VAL A 92 -20.910 -18.377 -2.502 1.00 22.31 H new ATOM 1501 N ARG A 93 -25.853 -19.521 -2.263 1.00 43.13 N ATOM 1502 CA ARG A 93 -27.020 -20.346 -2.550 1.00 52.33 C ATOM 1503 C ARG A 93 -26.806 -21.169 -3.817 1.00 51.11 C ATOM 1504 O ARG A 93 -27.359 -22.258 -3.963 1.00 30.24 O ATOM 1505 CB ARG A 93 -28.265 -19.470 -2.703 1.00 0.42 C ATOM 1506 CG ARG A 93 -28.189 -18.501 -3.872 1.00 23.31 C ATOM 1507 CD ARG A 93 -29.501 -17.757 -4.065 1.00 63.35 C ATOM 1508 NE ARG A 93 -29.451 -16.849 -5.208 1.00 75.01 N ATOM 1509 CZ ARG A 93 -28.835 -15.673 -5.186 1.00 2.33 C ATOM 1510 NH1 ARG A 93 -28.218 -15.264 -4.085 1.00 72.53 N ATOM 1511 NH2 ARG A 93 -28.834 -14.902 -6.266 1.00 62.10 N ATOM 0 H ARG A 93 -26.062 -18.535 -2.107 1.00 43.13 H new ATOM 0 HA ARG A 93 -27.165 -21.029 -1.713 1.00 52.33 H new ATOM 0 HB2 ARG A 93 -29.137 -20.112 -2.830 1.00 0.42 H new ATOM 0 HB3 ARG A 93 -28.417 -18.905 -1.783 1.00 0.42 H new ATOM 0 HG2 ARG A 93 -27.385 -17.785 -3.701 1.00 23.31 H new ATOM 0 HG3 ARG A 93 -27.941 -19.046 -4.783 1.00 23.31 H new ATOM 0 HD2 ARG A 93 -30.308 -18.476 -4.208 1.00 63.35 H new ATOM 0 HD3 ARG A 93 -29.734 -17.192 -3.163 1.00 63.35 H new ATOM 0 HE ARG A 93 -29.915 -17.134 -6.071 1.00 75.01 H new ATOM 0 HH11 ARG A 93 -28.216 -15.853 -3.253 1.00 72.53 H new ATOM 0 HH12 ARG A 93 -27.746 -14.360 -4.071 1.00 72.53 H new ATOM 0 HH21 ARG A 93 -29.307 -15.212 -7.115 1.00 62.10 H new ATOM 0 HH22 ARG A 93 -28.360 -13.999 -6.247 1.00 62.10 H new ATOM 1525 N GLY A 94 -26.000 -20.639 -4.732 1.00 24.21 N ATOM 1526 CA GLY A 94 -25.727 -21.338 -5.975 1.00 13.35 C ATOM 1527 C GLY A 94 -24.379 -20.972 -6.562 1.00 4.22 C ATOM 1528 O GLY A 94 -24.277 -20.056 -7.377 1.00 52.32 O ATOM 0 H GLY A 94 -25.531 -19.738 -4.635 1.00 24.21 H new ATOM 0 HA2 GLY A 94 -25.763 -22.413 -5.799 1.00 13.35 H new ATOM 0 HA3 GLY A 94 -26.509 -21.107 -6.698 1.00 13.35 H new ATOM 1532 N ALA A 95 -23.340 -21.688 -6.146 1.00 24.35 N ATOM 1533 CA ALA A 95 -21.991 -21.434 -6.636 1.00 62.30 C ATOM 1534 C ALA A 95 -21.016 -22.494 -6.135 1.00 62.53 C ATOM 1535 O ALA A 95 -20.545 -23.332 -6.904 1.00 55.12 O ATOM 1536 CB ALA A 95 -21.528 -20.048 -6.214 1.00 12.41 C ATOM 0 H ALA A 95 -23.407 -22.449 -5.470 1.00 24.35 H new ATOM 0 HA ALA A 95 -22.012 -21.482 -7.725 1.00 62.30 H new ATOM 0 HB1 ALA A 95 -20.519 -19.872 -6.587 1.00 12.41 H new ATOM 0 HB2 ALA A 95 -22.203 -19.298 -6.626 1.00 12.41 H new ATOM 0 HB3 ALA A 95 -21.530 -19.979 -5.126 1.00 12.41 H new ATOM 1542 N GLY A 96 -20.715 -22.452 -4.841 1.00 14.23 N ATOM 1543 CA GLY A 96 -19.797 -23.414 -4.260 1.00 41.22 C ATOM 1544 C GLY A 96 -19.469 -23.103 -2.813 1.00 55.42 C ATOM 1545 O GLY A 96 -20.254 -23.405 -1.913 1.00 44.42 O ATOM 0 H GLY A 96 -21.091 -21.768 -4.184 1.00 14.23 H new ATOM 0 HA2 GLY A 96 -20.232 -24.411 -4.324 1.00 41.22 H new ATOM 0 HA3 GLY A 96 -18.876 -23.430 -4.843 1.00 41.22 H new ATOM 1549 N TYR A 97 -18.308 -22.499 -2.588 1.00 40.20 N ATOM 1550 CA TYR A 97 -17.877 -22.150 -1.240 1.00 25.35 C ATOM 1551 C TYR A 97 -16.985 -20.913 -1.256 1.00 2.54 C ATOM 1552 O TYR A 97 -16.312 -20.630 -2.247 1.00 70.32 O ATOM 1553 CB TYR A 97 -17.129 -23.323 -0.602 1.00 12.33 C ATOM 1554 CG TYR A 97 -15.663 -23.377 -0.968 1.00 31.25 C ATOM 1555 CD1 TYR A 97 -15.251 -23.245 -2.288 1.00 3.24 C ATOM 1556 CD2 TYR A 97 -14.690 -23.560 0.008 1.00 72.14 C ATOM 1557 CE1 TYR A 97 -13.912 -23.295 -2.626 1.00 54.12 C ATOM 1558 CE2 TYR A 97 -13.349 -23.610 -0.322 1.00 14.13 C ATOM 1559 CZ TYR A 97 -12.966 -23.477 -1.640 1.00 24.31 C ATOM 1560 OH TYR A 97 -11.631 -23.526 -1.973 1.00 34.20 O ATOM 0 H TYR A 97 -17.648 -22.241 -3.322 1.00 40.20 H new ATOM 0 HA TYR A 97 -18.765 -21.928 -0.648 1.00 25.35 H new ATOM 0 HB2 TYR A 97 -17.222 -23.256 0.482 1.00 12.33 H new ATOM 0 HB3 TYR A 97 -17.605 -24.255 -0.906 1.00 12.33 H new ATOM 0 HD1 TYR A 97 -15.989 -23.101 -3.063 1.00 3.24 H new ATOM 0 HD2 TYR A 97 -14.987 -23.665 1.041 1.00 72.14 H new ATOM 0 HE1 TYR A 97 -13.608 -23.192 -3.657 1.00 54.12 H new ATOM 0 HE2 TYR A 97 -12.605 -23.752 0.448 1.00 14.13 H new ATOM 0 HH TYR A 97 -11.186 -24.218 -1.441 1.00 34.20 H new ATOM 1570 N VAL A 98 -16.985 -20.177 -0.148 1.00 42.24 N ATOM 1571 CA VAL A 98 -16.175 -18.970 -0.033 1.00 12.24 C ATOM 1572 C VAL A 98 -15.961 -18.590 1.428 1.00 24.12 C ATOM 1573 O VAL A 98 -16.702 -19.027 2.310 1.00 44.40 O ATOM 1574 CB VAL A 98 -16.826 -17.784 -0.769 1.00 75.35 C ATOM 1575 CG1 VAL A 98 -18.020 -17.259 0.014 1.00 72.44 C ATOM 1576 CG2 VAL A 98 -15.807 -16.680 -1.007 1.00 72.53 C ATOM 0 H VAL A 98 -17.537 -20.396 0.682 1.00 42.24 H new ATOM 0 HA VAL A 98 -15.212 -19.190 -0.494 1.00 12.24 H new ATOM 0 HB VAL A 98 -17.183 -18.133 -1.738 1.00 75.35 H new ATOM 0 HG11 VAL A 98 -18.467 -16.421 -0.522 1.00 72.44 H new ATOM 0 HG12 VAL A 98 -18.758 -18.053 0.127 1.00 72.44 H new ATOM 0 HG13 VAL A 98 -17.692 -16.926 0.999 1.00 72.44 H new ATOM 0 HG21 VAL A 98 -16.285 -15.850 -1.528 1.00 72.53 H new ATOM 0 HG22 VAL A 98 -15.418 -16.332 -0.050 1.00 72.53 H new ATOM 0 HG23 VAL A 98 -14.988 -17.066 -1.613 1.00 72.53 H new ATOM 1586 N LEU A 99 -14.943 -17.774 1.678 1.00 24.00 N ATOM 1587 CA LEU A 99 -14.630 -17.334 3.033 1.00 3.22 C ATOM 1588 C LEU A 99 -14.874 -15.836 3.189 1.00 35.44 C ATOM 1589 O LEU A 99 -14.631 -15.059 2.267 1.00 3.14 O ATOM 1590 CB LEU A 99 -13.175 -17.663 3.374 1.00 13.34 C ATOM 1591 CG LEU A 99 -12.133 -16.636 2.929 1.00 21.35 C ATOM 1592 CD1 LEU A 99 -10.765 -16.986 3.494 1.00 2.33 C ATOM 1593 CD2 LEU A 99 -12.080 -16.554 1.411 1.00 43.11 C ATOM 0 H LEU A 99 -14.320 -17.404 0.960 1.00 24.00 H new ATOM 0 HA LEU A 99 -15.287 -17.865 3.722 1.00 3.22 H new ATOM 0 HB2 LEU A 99 -13.095 -17.788 4.454 1.00 13.34 H new ATOM 0 HB3 LEU A 99 -12.925 -18.623 2.923 1.00 13.34 H new ATOM 0 HG LEU A 99 -12.424 -15.659 3.315 1.00 21.35 H new ATOM 0 HD11 LEU A 99 -10.036 -16.245 3.167 1.00 2.33 H new ATOM 0 HD12 LEU A 99 -10.812 -16.993 4.583 1.00 2.33 H new ATOM 0 HD13 LEU A 99 -10.465 -17.971 3.137 1.00 2.33 H new ATOM 0 HD21 LEU A 99 -11.333 -15.818 1.112 1.00 43.11 H new ATOM 0 HD22 LEU A 99 -11.813 -17.529 1.003 1.00 43.11 H new ATOM 0 HD23 LEU A 99 -13.056 -16.256 1.028 1.00 43.11 H new ATOM 1605 N GLU A 100 -15.356 -15.440 4.364 1.00 42.15 N ATOM 1606 CA GLU A 100 -15.632 -14.035 4.640 1.00 23.01 C ATOM 1607 C GLU A 100 -16.010 -13.833 6.105 1.00 45.13 C ATOM 1608 O GLU A 100 -16.344 -14.787 6.808 1.00 64.13 O ATOM 1609 CB GLU A 100 -16.757 -13.526 3.737 1.00 40.11 C ATOM 1610 CG GLU A 100 -16.613 -12.063 3.351 1.00 31.31 C ATOM 1611 CD GLU A 100 -15.383 -11.802 2.503 1.00 15.22 C ATOM 1612 OE1 GLU A 100 -15.178 -12.534 1.513 1.00 55.24 O ATOM 1613 OE2 GLU A 100 -14.626 -10.864 2.831 1.00 72.22 O ATOM 0 H GLU A 100 -15.563 -16.071 5.138 1.00 42.15 H new ATOM 0 HA GLU A 100 -14.725 -13.466 4.434 1.00 23.01 H new ATOM 0 HB2 GLU A 100 -16.786 -14.131 2.831 1.00 40.11 H new ATOM 0 HB3 GLU A 100 -17.711 -13.667 4.245 1.00 40.11 H new ATOM 0 HG2 GLU A 100 -17.501 -11.746 2.804 1.00 31.31 H new ATOM 0 HG3 GLU A 100 -16.562 -11.456 4.255 1.00 31.31 H new ATOM 1620 N ILE A 101 -15.953 -12.585 6.557 1.00 13.12 N ATOM 1621 CA ILE A 101 -16.290 -12.257 7.937 1.00 23.31 C ATOM 1622 C ILE A 101 -17.589 -11.463 8.012 1.00 0.43 C ATOM 1623 O ILE A 101 -18.147 -11.068 6.988 1.00 34.25 O ATOM 1624 CB ILE A 101 -15.167 -11.449 8.614 1.00 62.03 C ATOM 1625 CG1 ILE A 101 -14.754 -10.270 7.730 1.00 23.21 C ATOM 1626 CG2 ILE A 101 -13.972 -12.344 8.905 1.00 64.11 C ATOM 1627 CD1 ILE A 101 -13.821 -9.297 8.417 1.00 33.45 C ATOM 0 H ILE A 101 -15.677 -11.785 5.988 1.00 13.12 H new ATOM 0 HA ILE A 101 -16.415 -13.203 8.465 1.00 23.31 H new ATOM 0 HB ILE A 101 -15.541 -11.057 9.560 1.00 62.03 H new ATOM 0 HG12 ILE A 101 -14.270 -10.652 6.831 1.00 23.21 H new ATOM 0 HG13 ILE A 101 -15.649 -9.737 7.408 1.00 23.21 H new ATOM 0 HG21 ILE A 101 -13.187 -11.758 9.383 1.00 64.11 H new ATOM 0 HG22 ILE A 101 -14.277 -13.153 9.569 1.00 64.11 H new ATOM 0 HG23 ILE A 101 -13.595 -12.762 7.972 1.00 64.11 H new ATOM 0 HD11 ILE A 101 -13.570 -8.488 7.731 1.00 33.45 H new ATOM 0 HD12 ILE A 101 -14.310 -8.886 9.300 1.00 33.45 H new ATOM 0 HD13 ILE A 101 -12.910 -9.815 8.715 1.00 33.45 H new ATOM 1639 N ARG A 102 -18.064 -11.230 9.231 1.00 1.45 N ATOM 1640 CA ARG A 102 -19.297 -10.481 9.441 1.00 54.03 C ATOM 1641 C ARG A 102 -18.999 -9.017 9.749 1.00 0.33 C ATOM 1642 O ARG A 102 -19.812 -8.136 9.471 1.00 32.22 O ATOM 1643 CB ARG A 102 -20.107 -11.099 10.582 1.00 22.22 C ATOM 1644 CG ARG A 102 -19.413 -11.021 11.932 1.00 31.44 C ATOM 1645 CD ARG A 102 -19.827 -9.776 12.700 1.00 3.33 C ATOM 1646 NE ARG A 102 -19.654 -9.938 14.141 1.00 23.43 N ATOM 1647 CZ ARG A 102 -20.167 -9.108 15.042 1.00 53.44 C ATOM 1648 NH1 ARG A 102 -20.883 -8.062 14.651 1.00 3.33 N ATOM 1649 NH2 ARG A 102 -19.966 -9.322 16.335 1.00 32.54 N ATOM 0 H ARG A 102 -17.613 -11.549 10.089 1.00 1.45 H new ATOM 0 HA ARG A 102 -19.882 -10.529 8.522 1.00 54.03 H new ATOM 0 HB2 ARG A 102 -21.070 -10.593 10.648 1.00 22.22 H new ATOM 0 HB3 ARG A 102 -20.311 -12.144 10.347 1.00 22.22 H new ATOM 0 HG2 ARG A 102 -19.654 -11.908 12.518 1.00 31.44 H new ATOM 0 HG3 ARG A 102 -18.333 -11.018 11.787 1.00 31.44 H new ATOM 0 HD2 ARG A 102 -19.237 -8.926 12.358 1.00 3.33 H new ATOM 0 HD3 ARG A 102 -20.871 -9.547 12.484 1.00 3.33 H new ATOM 0 HE ARG A 102 -19.109 -10.733 14.474 1.00 23.43 H new ATOM 0 HH11 ARG A 102 -21.040 -7.894 13.657 1.00 3.33 H new ATOM 0 HH12 ARG A 102 -21.276 -7.425 15.344 1.00 3.33 H new ATOM 0 HH21 ARG A 102 -19.416 -10.125 16.640 1.00 32.54 H new ATOM 0 HH22 ARG A 102 -20.361 -8.683 17.025 1.00 32.54 H new ATOM 1663 N GLU A 103 -17.828 -8.765 10.326 1.00 62.50 N ATOM 1664 CA GLU A 103 -17.424 -7.408 10.673 1.00 23.23 C ATOM 1665 C GLU A 103 -17.482 -6.494 9.453 1.00 64.13 C ATOM 1666 O GLU A 103 -17.798 -5.310 9.566 1.00 20.41 O ATOM 1667 CB GLU A 103 -16.010 -7.407 11.258 1.00 23.11 C ATOM 1668 CG GLU A 103 -15.512 -6.025 11.644 1.00 1.55 C ATOM 1669 CD GLU A 103 -14.392 -6.072 12.666 1.00 15.03 C ATOM 1670 OE1 GLU A 103 -13.968 -7.189 13.029 1.00 34.32 O ATOM 1671 OE2 GLU A 103 -13.941 -4.993 13.103 1.00 41.10 O ATOM 0 H GLU A 103 -17.143 -9.483 10.563 1.00 62.50 H new ATOM 0 HA GLU A 103 -18.120 -7.030 11.422 1.00 23.23 H new ATOM 0 HB2 GLU A 103 -15.989 -8.050 12.138 1.00 23.11 H new ATOM 0 HB3 GLU A 103 -15.324 -7.841 10.530 1.00 23.11 H new ATOM 0 HG2 GLU A 103 -15.162 -5.507 10.751 1.00 1.55 H new ATOM 0 HG3 GLU A 103 -16.341 -5.443 12.046 1.00 1.55 H new ATOM 1678 N GLU A 104 -17.173 -7.053 8.287 1.00 71.23 N ATOM 1679 CA GLU A 104 -17.189 -6.288 7.045 1.00 22.15 C ATOM 1680 C GLU A 104 -18.540 -5.609 6.842 1.00 73.43 C ATOM 1681 O GLU A 104 -19.511 -5.918 7.532 1.00 1.23 O ATOM 1682 CB GLU A 104 -16.878 -7.198 5.855 1.00 33.34 C ATOM 1683 CG GLU A 104 -16.880 -6.475 4.519 1.00 12.01 C ATOM 1684 CD GLU A 104 -16.150 -5.147 4.573 1.00 22.24 C ATOM 1685 OE1 GLU A 104 -14.903 -5.159 4.639 1.00 24.32 O ATOM 1686 OE2 GLU A 104 -16.824 -4.097 4.550 1.00 15.25 O ATOM 0 H GLU A 104 -16.909 -8.032 8.176 1.00 71.23 H new ATOM 0 HA GLU A 104 -16.421 -5.517 7.113 1.00 22.15 H new ATOM 0 HB2 GLU A 104 -15.903 -7.660 6.007 1.00 33.34 H new ATOM 0 HB3 GLU A 104 -17.611 -8.004 5.823 1.00 33.34 H new ATOM 0 HG2 GLU A 104 -16.415 -7.111 3.766 1.00 12.01 H new ATOM 0 HG3 GLU A 104 -17.909 -6.307 4.203 1.00 12.01 H new