USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot -171:sc= 0.975 USER MOD Set 1.2: A 29 SER OG : rot 103:sc= 1.14 USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.00577 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -160:sc= 0.112 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 87:sc= 0.016 USER MOD Single : A 14 LYS NZ :NH3+ -153:sc= 0.222 (180deg=0.0738) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= -3.86! (180deg=-3.95!) USER MOD Single : A 32 SER OG : rot -76:sc= 0.4 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 177:sc= -1.44 (180deg=-1.72) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.718 F(o=-2.5!,f=-0.72) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.5 K(o=-0.5,f=-1.5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -101:sc= 0.0963 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0.071) USER MOD Single : A 69 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.7) USER MOD Single : A 80 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.191) USER MOD Single : A 81 LYS NZ :NH3+ -126:sc= -0.0918 (180deg=-1.31!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.989 -3.041 7.907 1.00 0.00 N ATOM 2 CA ALA A 1 -8.031 -3.251 6.465 1.00 71.14 C ATOM 3 C ALA A 1 -8.362 -4.701 6.131 1.00 23.30 C ATOM 4 O ALA A 1 -7.860 -5.627 6.769 1.00 14.05 O ATOM 5 CB ALA A 1 -6.706 -2.850 5.835 1.00 64.13 C ATOM 0 H1 ALA A 1 -7.198 -2.408 8.143 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.882 -2.611 8.221 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.856 -3.954 8.387 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.821 -2.622 6.053 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -6.751 -3.012 4.758 1.00 64.13 H new ATOM 0 HB2 ALA A 1 -6.512 -1.796 6.036 1.00 64.13 H new ATOM 0 HB3 ALA A 1 -5.904 -3.454 6.259 1.00 64.13 H new ATOM 11 N LYS A 2 -9.209 -4.894 5.125 1.00 3.14 N ATOM 12 CA LYS A 2 -9.606 -6.233 4.705 1.00 52.34 C ATOM 13 C LYS A 2 -8.427 -6.985 4.099 1.00 24.33 C ATOM 14 O LYS A 2 -7.587 -6.400 3.414 1.00 35.02 O ATOM 15 CB LYS A 2 -10.749 -6.151 3.689 1.00 71.31 C ATOM 16 CG LYS A 2 -11.952 -5.371 4.188 1.00 33.35 C ATOM 17 CD LYS A 2 -13.111 -6.293 4.531 1.00 13.52 C ATOM 18 CE LYS A 2 -14.169 -5.573 5.354 1.00 35.33 C ATOM 19 NZ LYS A 2 -14.375 -6.220 6.680 1.00 21.54 N ATOM 0 H LYS A 2 -9.634 -4.140 4.585 1.00 3.14 H new ATOM 0 HA LYS A 2 -9.947 -6.778 5.585 1.00 52.34 H new ATOM 0 HB2 LYS A 2 -10.379 -5.686 2.775 1.00 71.31 H new ATOM 0 HB3 LYS A 2 -11.065 -7.161 3.428 1.00 71.31 H new ATOM 0 HG2 LYS A 2 -11.672 -4.793 5.069 1.00 33.35 H new ATOM 0 HG3 LYS A 2 -12.266 -4.658 3.426 1.00 33.35 H new ATOM 0 HD2 LYS A 2 -13.559 -6.674 3.613 1.00 13.52 H new ATOM 0 HD3 LYS A 2 -12.740 -7.155 5.086 1.00 13.52 H new ATOM 0 HE2 LYS A 2 -13.872 -4.534 5.499 1.00 35.33 H new ATOM 0 HE3 LYS A 2 -15.111 -5.562 4.805 1.00 35.33 H new ATOM 0 HZ1 LYS A 2 -15.103 -5.700 7.210 1.00 21.54 H new ATOM 0 HZ2 LYS A 2 -14.683 -7.204 6.542 1.00 21.54 H new ATOM 0 HZ3 LYS A 2 -13.483 -6.208 7.214 1.00 21.54 H new ATOM 29 N LYS A 3 -8.367 -8.288 4.355 1.00 54.44 N ATOM 30 CA LYS A 3 -7.292 -9.123 3.834 1.00 21.10 C ATOM 31 C LYS A 3 -7.136 -8.932 2.328 1.00 20.31 C ATOM 32 O LYS A 3 -6.021 -8.904 1.810 1.00 5.34 O ATOM 33 CB LYS A 3 -7.565 -10.597 4.146 1.00 42.41 C ATOM 34 CG LYS A 3 -7.744 -10.881 5.627 1.00 41.41 C ATOM 35 CD LYS A 3 -8.423 -12.221 5.859 1.00 12.24 C ATOM 36 CE LYS A 3 -9.901 -12.165 5.507 1.00 74.04 C ATOM 37 NZ LYS A 3 -10.739 -11.804 6.685 1.00 45.13 N ATOM 0 H LYS A 3 -9.052 -8.789 4.921 1.00 54.44 H new ATOM 0 HA LYS A 3 -6.364 -8.821 4.319 1.00 21.10 H new ATOM 0 HB2 LYS A 3 -8.462 -10.913 3.613 1.00 42.41 H new ATOM 0 HB3 LYS A 3 -6.740 -11.199 3.766 1.00 42.41 H new ATOM 0 HG2 LYS A 3 -6.772 -10.874 6.120 1.00 41.41 H new ATOM 0 HG3 LYS A 3 -8.337 -10.088 6.082 1.00 41.41 H new ATOM 0 HD2 LYS A 3 -7.933 -12.987 5.258 1.00 12.24 H new ATOM 0 HD3 LYS A 3 -8.307 -12.513 6.903 1.00 12.24 H new ATOM 0 HE2 LYS A 3 -10.058 -11.435 4.713 1.00 74.04 H new ATOM 0 HE3 LYS A 3 -10.219 -13.133 5.118 1.00 74.04 H new ATOM 0 HZ1 LYS A 3 -11.740 -11.776 6.404 1.00 45.13 H new ATOM 0 HZ2 LYS A 3 -10.609 -12.514 7.434 1.00 45.13 H new ATOM 0 HZ3 LYS A 3 -10.453 -10.869 7.041 1.00 45.13 H new ATOM 47 N GLU A 4 -8.261 -8.800 1.633 1.00 54.21 N ATOM 48 CA GLU A 4 -8.248 -8.611 0.188 1.00 42.43 C ATOM 49 C GLU A 4 -7.353 -7.437 -0.199 1.00 11.13 C ATOM 50 O GLU A 4 -6.539 -7.537 -1.118 1.00 74.13 O ATOM 51 CB GLU A 4 -9.668 -8.377 -0.332 1.00 3.21 C ATOM 52 CG GLU A 4 -10.407 -7.265 0.395 1.00 22.42 C ATOM 53 CD GLU A 4 -11.895 -7.267 0.104 1.00 11.42 C ATOM 54 OE1 GLU A 4 -12.593 -8.178 0.594 1.00 71.14 O ATOM 55 OE2 GLU A 4 -12.360 -6.358 -0.614 1.00 10.42 O ATOM 0 H GLU A 4 -9.193 -8.820 2.047 1.00 54.21 H new ATOM 0 HA GLU A 4 -7.847 -9.517 -0.267 1.00 42.43 H new ATOM 0 HB2 GLU A 4 -9.622 -8.137 -1.394 1.00 3.21 H new ATOM 0 HB3 GLU A 4 -10.237 -9.302 -0.238 1.00 3.21 H new ATOM 0 HG2 GLU A 4 -10.250 -7.371 1.468 1.00 22.42 H new ATOM 0 HG3 GLU A 4 -9.985 -6.303 0.105 1.00 22.42 H new ATOM 60 N THR A 5 -7.509 -6.322 0.509 1.00 74.03 N ATOM 61 CA THR A 5 -6.718 -5.128 0.241 1.00 41.03 C ATOM 62 C THR A 5 -5.287 -5.293 0.738 1.00 71.31 C ATOM 63 O THR A 5 -4.333 -4.957 0.036 1.00 75.34 O ATOM 64 CB THR A 5 -7.339 -3.883 0.901 1.00 53.31 C ATOM 65 OG1 THR A 5 -8.537 -4.243 1.598 1.00 61.42 O ATOM 66 CG2 THR A 5 -7.653 -2.818 -0.139 1.00 44.15 C ATOM 0 H THR A 5 -8.177 -6.222 1.273 1.00 74.03 H new ATOM 0 HA THR A 5 -6.710 -4.991 -0.840 1.00 41.03 H new ATOM 0 HB THR A 5 -6.616 -3.476 1.608 1.00 53.31 H new ATOM 0 HG1 THR A 5 -9.086 -3.444 1.739 1.00 61.42 H new ATOM 0 HG21 THR A 5 -8.091 -1.948 0.351 1.00 44.15 H new ATOM 0 HG22 THR A 5 -6.735 -2.524 -0.647 1.00 44.15 H new ATOM 0 HG23 THR A 5 -8.359 -3.217 -0.867 1.00 44.15 H new ATOM 74 N ILE A 6 -5.145 -5.814 1.952 1.00 21.14 N ATOM 75 CA ILE A 6 -3.828 -6.025 2.542 1.00 30.21 C ATOM 76 C ILE A 6 -2.945 -6.866 1.627 1.00 2.10 C ATOM 77 O ILE A 6 -1.766 -6.566 1.438 1.00 40.40 O ATOM 78 CB ILE A 6 -3.931 -6.716 3.915 1.00 54.10 C ATOM 79 CG1 ILE A 6 -4.733 -5.848 4.887 1.00 33.02 C ATOM 80 CG2 ILE A 6 -2.543 -7.000 4.470 1.00 31.12 C ATOM 81 CD1 ILE A 6 -4.965 -6.504 6.230 1.00 32.24 C ATOM 0 H ILE A 6 -5.924 -6.098 2.546 1.00 21.14 H new ATOM 0 HA ILE A 6 -3.378 -5.041 2.673 1.00 30.21 H new ATOM 0 HB ILE A 6 -4.452 -7.665 3.791 1.00 54.10 H new ATOM 0 HG12 ILE A 6 -4.208 -4.905 5.038 1.00 33.02 H new ATOM 0 HG13 ILE A 6 -5.696 -5.608 4.437 1.00 33.02 H new ATOM 0 HG21 ILE A 6 -2.632 -7.488 5.440 1.00 31.12 H new ATOM 0 HG22 ILE A 6 -2.003 -7.652 3.784 1.00 31.12 H new ATOM 0 HG23 ILE A 6 -1.998 -6.063 4.584 1.00 31.12 H new ATOM 0 HD11 ILE A 6 -5.539 -5.833 6.868 1.00 32.24 H new ATOM 0 HD12 ILE A 6 -5.517 -7.433 6.090 1.00 32.24 H new ATOM 0 HD13 ILE A 6 -4.006 -6.719 6.700 1.00 32.24 H new ATOM 92 N ASP A 7 -3.522 -7.920 1.061 1.00 51.30 N ATOM 93 CA ASP A 7 -2.788 -8.803 0.163 1.00 32.41 C ATOM 94 C ASP A 7 -2.434 -8.087 -1.136 1.00 42.43 C ATOM 95 O ASP A 7 -1.405 -8.365 -1.751 1.00 42.32 O ATOM 96 CB ASP A 7 -3.611 -10.056 -0.140 1.00 71.20 C ATOM 97 CG ASP A 7 -2.824 -11.333 0.076 1.00 31.44 C ATOM 98 OD1 ASP A 7 -2.344 -11.550 1.209 1.00 32.54 O ATOM 99 OD2 ASP A 7 -2.687 -12.117 -0.886 1.00 54.34 O ATOM 0 H ASP A 7 -4.496 -8.184 1.208 1.00 51.30 H new ATOM 0 HA ASP A 7 -1.863 -9.096 0.659 1.00 32.41 H new ATOM 0 HB2 ASP A 7 -4.497 -10.067 0.495 1.00 71.20 H new ATOM 0 HB3 ASP A 7 -3.959 -10.018 -1.172 1.00 71.20 H new ATOM 103 N LYS A 8 -3.294 -7.161 -1.549 1.00 33.12 N ATOM 104 CA LYS A 8 -3.074 -6.403 -2.774 1.00 2.44 C ATOM 105 C LYS A 8 -1.925 -5.414 -2.602 1.00 43.12 C ATOM 106 O LYS A 8 -0.993 -5.384 -3.406 1.00 44.41 O ATOM 107 CB LYS A 8 -4.348 -5.656 -3.173 1.00 1.13 C ATOM 108 CG LYS A 8 -5.395 -6.543 -3.824 1.00 34.21 C ATOM 109 CD LYS A 8 -5.238 -6.574 -5.334 1.00 61.32 C ATOM 110 CE LYS A 8 -5.767 -5.300 -5.976 1.00 22.23 C ATOM 111 NZ LYS A 8 -7.049 -5.534 -6.697 1.00 12.42 N ATOM 0 H LYS A 8 -4.151 -6.918 -1.052 1.00 33.12 H new ATOM 0 HA LYS A 8 -2.811 -7.106 -3.564 1.00 2.44 H new ATOM 0 HB2 LYS A 8 -4.779 -5.190 -2.287 1.00 1.13 H new ATOM 0 HB3 LYS A 8 -4.087 -4.852 -3.861 1.00 1.13 H new ATOM 0 HG2 LYS A 8 -5.313 -7.555 -3.428 1.00 34.21 H new ATOM 0 HG3 LYS A 8 -6.391 -6.180 -3.568 1.00 34.21 H new ATOM 0 HD2 LYS A 8 -4.186 -6.701 -5.589 1.00 61.32 H new ATOM 0 HD3 LYS A 8 -5.770 -7.435 -5.739 1.00 61.32 H new ATOM 0 HE2 LYS A 8 -5.915 -4.541 -5.208 1.00 22.23 H new ATOM 0 HE3 LYS A 8 -5.025 -4.909 -6.672 1.00 22.23 H new ATOM 0 HZ1 LYS A 8 -7.377 -4.643 -7.120 1.00 12.42 H new ATOM 0 HZ2 LYS A 8 -6.902 -6.240 -7.446 1.00 12.42 H new ATOM 0 HZ3 LYS A 8 -7.765 -5.883 -6.028 1.00 12.42 H new ATOM 121 N VAL A 9 -1.997 -4.607 -1.549 1.00 32.04 N ATOM 122 CA VAL A 9 -0.962 -3.619 -1.271 1.00 2.44 C ATOM 123 C VAL A 9 0.420 -4.263 -1.242 1.00 43.04 C ATOM 124 O VAL A 9 1.353 -3.782 -1.886 1.00 34.42 O ATOM 125 CB VAL A 9 -1.211 -2.907 0.073 1.00 62.42 C ATOM 126 CG1 VAL A 9 -0.171 -1.822 0.303 1.00 53.22 C ATOM 127 CG2 VAL A 9 -2.617 -2.329 0.115 1.00 63.01 C ATOM 0 H VAL A 9 -2.762 -4.618 -0.874 1.00 32.04 H new ATOM 0 HA VAL A 9 -1.002 -2.885 -2.076 1.00 2.44 H new ATOM 0 HB VAL A 9 -1.120 -3.639 0.876 1.00 62.42 H new ATOM 0 HG11 VAL A 9 -0.363 -1.330 1.257 1.00 53.22 H new ATOM 0 HG12 VAL A 9 0.823 -2.268 0.319 1.00 53.22 H new ATOM 0 HG13 VAL A 9 -0.227 -1.088 -0.501 1.00 53.22 H new ATOM 0 HG21 VAL A 9 -2.777 -1.830 1.071 1.00 63.01 H new ATOM 0 HG22 VAL A 9 -2.739 -1.610 -0.695 1.00 63.01 H new ATOM 0 HG23 VAL A 9 -3.344 -3.133 -0.000 1.00 63.01 H new ATOM 137 N SER A 10 0.543 -5.354 -0.494 1.00 64.31 N ATOM 138 CA SER A 10 1.812 -6.064 -0.379 1.00 5.22 C ATOM 139 C SER A 10 2.309 -6.513 -1.750 1.00 2.21 C ATOM 140 O SER A 10 3.512 -6.524 -2.014 1.00 30.43 O ATOM 141 CB SER A 10 1.662 -7.275 0.543 1.00 12.41 C ATOM 142 OG SER A 10 0.855 -6.964 1.666 1.00 61.34 O ATOM 0 H SER A 10 -0.221 -5.766 0.042 1.00 64.31 H new ATOM 0 HA SER A 10 2.545 -5.380 0.048 1.00 5.22 H new ATOM 0 HB2 SER A 10 1.219 -8.104 -0.009 1.00 12.41 H new ATOM 0 HB3 SER A 10 2.645 -7.605 0.878 1.00 12.41 H new ATOM 0 HG SER A 10 -0.088 -7.103 1.440 1.00 61.34 H new ATOM 147 N ASP A 11 1.375 -6.881 -2.619 1.00 54.54 N ATOM 148 CA ASP A 11 1.716 -7.330 -3.964 1.00 75.30 C ATOM 149 C ASP A 11 2.412 -6.222 -4.747 1.00 40.22 C ATOM 150 O ASP A 11 3.444 -6.449 -5.380 1.00 34.20 O ATOM 151 CB ASP A 11 0.458 -7.784 -4.707 1.00 23.42 C ATOM 152 CG ASP A 11 0.778 -8.444 -6.035 1.00 52.22 C ATOM 153 OD1 ASP A 11 1.939 -8.861 -6.225 1.00 61.53 O ATOM 154 OD2 ASP A 11 -0.134 -8.542 -6.883 1.00 51.25 O ATOM 0 H ASP A 11 0.375 -6.877 -2.416 1.00 54.54 H new ATOM 0 HA ASP A 11 2.401 -8.173 -3.876 1.00 75.30 H new ATOM 0 HB2 ASP A 11 -0.098 -8.483 -4.082 1.00 23.42 H new ATOM 0 HB3 ASP A 11 -0.190 -6.924 -4.878 1.00 23.42 H new ATOM 158 N ILE A 12 1.841 -5.023 -4.701 1.00 33.20 N ATOM 159 CA ILE A 12 2.406 -3.879 -5.406 1.00 62.41 C ATOM 160 C ILE A 12 3.892 -3.728 -5.103 1.00 24.22 C ATOM 161 O ILE A 12 4.714 -3.612 -6.012 1.00 4.24 O ATOM 162 CB ILE A 12 1.682 -2.573 -5.033 1.00 34.12 C ATOM 163 CG1 ILE A 12 0.482 -2.348 -5.955 1.00 42.20 C ATOM 164 CG2 ILE A 12 2.641 -1.396 -5.106 1.00 2.33 C ATOM 165 CD1 ILE A 12 -0.515 -3.485 -5.938 1.00 63.24 C ATOM 0 H ILE A 12 0.987 -4.819 -4.182 1.00 33.20 H new ATOM 0 HA ILE A 12 2.271 -4.067 -6.471 1.00 62.41 H new ATOM 0 HB ILE A 12 1.318 -2.657 -4.009 1.00 34.12 H new ATOM 0 HG12 ILE A 12 -0.024 -1.428 -5.662 1.00 42.20 H new ATOM 0 HG13 ILE A 12 0.840 -2.204 -6.975 1.00 42.20 H new ATOM 0 HG21 ILE A 12 2.114 -0.480 -4.839 1.00 2.33 H new ATOM 0 HG22 ILE A 12 3.466 -1.555 -4.411 1.00 2.33 H new ATOM 0 HG23 ILE A 12 3.032 -1.308 -6.120 1.00 2.33 H new ATOM 0 HD11 ILE A 12 -1.339 -3.257 -6.614 1.00 63.24 H new ATOM 0 HD12 ILE A 12 -0.025 -4.404 -6.260 1.00 63.24 H new ATOM 0 HD13 ILE A 12 -0.901 -3.615 -4.927 1.00 63.24 H new ATOM 176 N VAL A 13 4.232 -3.731 -3.818 1.00 63.30 N ATOM 177 CA VAL A 13 5.621 -3.597 -3.393 1.00 43.24 C ATOM 178 C VAL A 13 6.514 -4.603 -4.109 1.00 62.43 C ATOM 179 O VAL A 13 7.650 -4.296 -4.471 1.00 72.11 O ATOM 180 CB VAL A 13 5.765 -3.790 -1.872 1.00 50.44 C ATOM 181 CG1 VAL A 13 7.191 -3.502 -1.429 1.00 53.31 C ATOM 182 CG2 VAL A 13 4.777 -2.905 -1.127 1.00 41.43 C ATOM 0 H VAL A 13 3.564 -3.825 -3.053 1.00 63.30 H new ATOM 0 HA VAL A 13 5.935 -2.586 -3.654 1.00 43.24 H new ATOM 0 HB VAL A 13 5.539 -4.829 -1.632 1.00 50.44 H new ATOM 0 HG11 VAL A 13 7.273 -3.644 -0.351 1.00 53.31 H new ATOM 0 HG12 VAL A 13 7.874 -4.182 -1.937 1.00 53.31 H new ATOM 0 HG13 VAL A 13 7.449 -2.473 -1.680 1.00 53.31 H new ATOM 0 HG21 VAL A 13 4.893 -3.054 -0.053 1.00 41.43 H new ATOM 0 HG22 VAL A 13 4.969 -1.860 -1.371 1.00 41.43 H new ATOM 0 HG23 VAL A 13 3.761 -3.166 -1.422 1.00 41.43 H new ATOM 192 N LYS A 14 5.993 -5.810 -4.311 1.00 42.11 N ATOM 193 CA LYS A 14 6.742 -6.864 -4.986 1.00 1.24 C ATOM 194 C LYS A 14 6.698 -6.680 -6.499 1.00 11.40 C ATOM 195 O LYS A 14 7.674 -6.955 -7.195 1.00 61.10 O ATOM 196 CB LYS A 14 6.179 -8.237 -4.611 1.00 12.21 C ATOM 197 CG LYS A 14 5.928 -8.406 -3.122 1.00 64.13 C ATOM 198 CD LYS A 14 6.108 -9.851 -2.688 1.00 75.33 C ATOM 199 CE LYS A 14 7.538 -10.128 -2.249 1.00 40.03 C ATOM 200 NZ LYS A 14 7.718 -9.925 -0.786 1.00 32.33 N ATOM 0 H LYS A 14 5.055 -6.082 -4.017 1.00 42.11 H new ATOM 0 HA LYS A 14 7.781 -6.803 -4.661 1.00 1.24 H new ATOM 0 HB2 LYS A 14 5.244 -8.396 -5.149 1.00 12.21 H new ATOM 0 HB3 LYS A 14 6.874 -9.008 -4.944 1.00 12.21 H new ATOM 0 HG2 LYS A 14 6.612 -7.769 -2.562 1.00 64.13 H new ATOM 0 HG3 LYS A 14 4.917 -8.076 -2.883 1.00 64.13 H new ATOM 0 HD2 LYS A 14 5.425 -10.073 -1.868 1.00 75.33 H new ATOM 0 HD3 LYS A 14 5.844 -10.515 -3.511 1.00 75.33 H new ATOM 0 HE2 LYS A 14 7.806 -11.152 -2.509 1.00 40.03 H new ATOM 0 HE3 LYS A 14 8.218 -9.473 -2.793 1.00 40.03 H new ATOM 0 HZ1 LYS A 14 8.707 -9.670 -0.590 1.00 32.33 H new ATOM 0 HZ2 LYS A 14 7.093 -9.160 -0.462 1.00 32.33 H new ATOM 0 HZ3 LYS A 14 7.480 -10.803 -0.282 1.00 32.33 H new ATOM 210 N GLU A 15 5.559 -6.211 -7.000 1.00 61.32 N ATOM 211 CA GLU A 15 5.389 -5.990 -8.432 1.00 11.41 C ATOM 212 C GLU A 15 6.493 -5.088 -8.978 1.00 73.30 C ATOM 213 O GLU A 15 7.003 -5.307 -10.077 1.00 61.42 O ATOM 214 CB GLU A 15 4.021 -5.368 -8.716 1.00 14.43 C ATOM 215 CG GLU A 15 2.853 -6.261 -8.329 1.00 2.44 C ATOM 216 CD GLU A 15 2.044 -6.715 -9.527 1.00 51.45 C ATOM 217 OE1 GLU A 15 2.603 -7.428 -10.386 1.00 51.31 O ATOM 218 OE2 GLU A 15 0.850 -6.356 -9.605 1.00 44.33 O ATOM 0 H GLU A 15 4.742 -5.977 -6.437 1.00 61.32 H new ATOM 0 HA GLU A 15 5.452 -6.956 -8.932 1.00 11.41 H new ATOM 0 HB2 GLU A 15 3.941 -4.425 -8.175 1.00 14.43 H new ATOM 0 HB3 GLU A 15 3.952 -5.133 -9.778 1.00 14.43 H new ATOM 0 HG2 GLU A 15 3.229 -7.135 -7.797 1.00 2.44 H new ATOM 0 HG3 GLU A 15 2.203 -5.724 -7.639 1.00 2.44 H new ATOM 223 N LYS A 16 6.857 -4.073 -8.202 1.00 23.21 N ATOM 224 CA LYS A 16 7.900 -3.138 -8.605 1.00 31.00 C ATOM 225 C LYS A 16 9.137 -3.881 -9.100 1.00 33.25 C ATOM 226 O LYS A 16 9.614 -3.643 -10.210 1.00 62.45 O ATOM 227 CB LYS A 16 8.275 -2.225 -7.436 1.00 30.13 C ATOM 228 CG LYS A 16 7.201 -1.208 -7.088 1.00 23.44 C ATOM 229 CD LYS A 16 6.849 -1.253 -5.611 1.00 55.13 C ATOM 230 CE LYS A 16 7.958 -0.661 -4.755 1.00 61.12 C ATOM 231 NZ LYS A 16 8.101 -1.378 -3.458 1.00 73.04 N ATOM 0 H LYS A 16 6.445 -3.877 -7.290 1.00 23.21 H new ATOM 0 HA LYS A 16 7.511 -2.531 -9.423 1.00 31.00 H new ATOM 0 HB2 LYS A 16 8.480 -2.838 -6.559 1.00 30.13 H new ATOM 0 HB3 LYS A 16 9.197 -1.698 -7.679 1.00 30.13 H new ATOM 0 HG2 LYS A 16 7.547 -0.208 -7.350 1.00 23.44 H new ATOM 0 HG3 LYS A 16 6.308 -1.403 -7.682 1.00 23.44 H new ATOM 0 HD2 LYS A 16 5.923 -0.704 -5.440 1.00 55.13 H new ATOM 0 HD3 LYS A 16 6.668 -2.285 -5.310 1.00 55.13 H new ATOM 0 HE2 LYS A 16 8.901 -0.706 -5.300 1.00 61.12 H new ATOM 0 HE3 LYS A 16 7.748 0.392 -4.567 1.00 61.12 H new ATOM 0 HZ1 LYS A 16 8.976 -1.072 -2.987 1.00 73.04 H new ATOM 0 HZ2 LYS A 16 7.286 -1.160 -2.849 1.00 73.04 H new ATOM 0 HZ3 LYS A 16 8.140 -2.403 -3.630 1.00 73.04 H new ATOM 241 N LEU A 17 9.649 -4.784 -8.270 1.00 5.11 N ATOM 242 CA LEU A 17 10.831 -5.564 -8.625 1.00 71.13 C ATOM 243 C LEU A 17 10.442 -6.978 -9.044 1.00 61.20 C ATOM 244 O LEU A 17 11.260 -7.897 -8.996 1.00 15.12 O ATOM 245 CB LEU A 17 11.803 -5.618 -7.445 1.00 22.41 C ATOM 246 CG LEU A 17 11.427 -6.568 -6.307 1.00 55.25 C ATOM 247 CD1 LEU A 17 12.661 -6.965 -5.513 1.00 41.52 C ATOM 248 CD2 LEU A 17 10.389 -5.925 -5.399 1.00 33.42 C ATOM 0 H LEU A 17 9.265 -4.994 -7.349 1.00 5.11 H new ATOM 0 HA LEU A 17 11.320 -5.076 -9.468 1.00 71.13 H new ATOM 0 HB2 LEU A 17 12.785 -5.905 -7.822 1.00 22.41 H new ATOM 0 HB3 LEU A 17 11.901 -4.613 -7.035 1.00 22.41 H new ATOM 0 HG LEU A 17 10.994 -7.470 -6.739 1.00 55.25 H new ATOM 0 HD11 LEU A 17 12.374 -7.641 -4.708 1.00 41.52 H new ATOM 0 HD12 LEU A 17 13.371 -7.466 -6.171 1.00 41.52 H new ATOM 0 HD13 LEU A 17 13.124 -6.073 -5.090 1.00 41.52 H new ATOM 0 HD21 LEU A 17 10.132 -6.614 -4.594 1.00 33.42 H new ATOM 0 HD22 LEU A 17 10.796 -5.007 -4.975 1.00 33.42 H new ATOM 0 HD23 LEU A 17 9.494 -5.692 -5.977 1.00 33.42 H new ATOM 259 N ALA A 18 9.190 -7.145 -9.456 1.00 23.12 N ATOM 260 CA ALA A 18 8.695 -8.447 -9.888 1.00 51.40 C ATOM 261 C ALA A 18 9.045 -9.531 -8.874 1.00 62.33 C ATOM 262 O ALA A 18 9.940 -10.347 -9.106 1.00 55.31 O ATOM 263 CB ALA A 18 9.260 -8.798 -11.257 1.00 61.20 C ATOM 0 H ALA A 18 8.500 -6.395 -9.500 1.00 23.12 H new ATOM 0 HA ALA A 18 7.609 -8.391 -9.959 1.00 51.40 H new ATOM 0 HB1 ALA A 18 8.883 -9.772 -11.568 1.00 61.20 H new ATOM 0 HB2 ALA A 18 8.955 -8.043 -11.981 1.00 61.20 H new ATOM 0 HB3 ALA A 18 10.348 -8.831 -11.204 1.00 61.20 H new ATOM 269 N LEU A 19 8.337 -9.535 -7.751 1.00 51.21 N ATOM 270 CA LEU A 19 8.573 -10.519 -6.700 1.00 62.23 C ATOM 271 C LEU A 19 7.277 -11.222 -6.311 1.00 51.21 C ATOM 272 O LEU A 19 6.243 -11.039 -6.953 1.00 33.14 O ATOM 273 CB LEU A 19 9.192 -9.847 -5.474 1.00 12.33 C ATOM 274 CG LEU A 19 10.630 -10.246 -5.143 1.00 71.22 C ATOM 275 CD1 LEU A 19 11.506 -10.162 -6.383 1.00 32.22 C ATOM 276 CD2 LEU A 19 11.187 -9.365 -4.034 1.00 50.14 C ATOM 0 H LEU A 19 7.594 -8.868 -7.544 1.00 51.21 H new ATOM 0 HA LEU A 19 9.267 -11.266 -7.085 1.00 62.23 H new ATOM 0 HB2 LEU A 19 9.161 -8.768 -5.622 1.00 12.33 H new ATOM 0 HB3 LEU A 19 8.567 -10.068 -4.609 1.00 12.33 H new ATOM 0 HG LEU A 19 10.628 -11.278 -4.793 1.00 71.22 H new ATOM 0 HD11 LEU A 19 12.526 -10.450 -6.128 1.00 32.22 H new ATOM 0 HD12 LEU A 19 11.119 -10.836 -7.148 1.00 32.22 H new ATOM 0 HD13 LEU A 19 11.501 -9.140 -6.763 1.00 32.22 H new ATOM 0 HD21 LEU A 19 12.211 -9.664 -3.812 1.00 50.14 H new ATOM 0 HD22 LEU A 19 11.174 -8.324 -4.356 1.00 50.14 H new ATOM 0 HD23 LEU A 19 10.575 -9.476 -3.139 1.00 50.14 H new ATOM 287 N GLY A 20 7.340 -12.024 -5.252 1.00 54.24 N ATOM 288 CA GLY A 20 6.163 -12.739 -4.793 1.00 32.13 C ATOM 289 C GLY A 20 6.143 -14.181 -5.260 1.00 25.31 C ATOM 290 O GLY A 20 5.158 -14.891 -5.060 1.00 60.53 O ATOM 0 H GLY A 20 8.184 -12.191 -4.704 1.00 54.24 H new ATOM 0 HA2 GLY A 20 6.127 -12.712 -3.704 1.00 32.13 H new ATOM 0 HA3 GLY A 20 5.269 -12.231 -5.154 1.00 32.13 H new ATOM 294 N ALA A 21 7.233 -14.614 -5.885 1.00 42.01 N ATOM 295 CA ALA A 21 7.337 -15.981 -6.381 1.00 75.25 C ATOM 296 C ALA A 21 7.834 -16.924 -5.291 1.00 65.04 C ATOM 297 O ALA A 21 7.122 -17.838 -4.874 1.00 42.41 O ATOM 298 CB ALA A 21 8.259 -16.035 -7.590 1.00 74.33 C ATOM 0 H ALA A 21 8.056 -14.038 -6.060 1.00 42.01 H new ATOM 0 HA ALA A 21 6.342 -16.309 -6.682 1.00 75.25 H new ATOM 0 HB1 ALA A 21 8.327 -17.062 -7.950 1.00 74.33 H new ATOM 0 HB2 ALA A 21 7.860 -15.399 -8.380 1.00 74.33 H new ATOM 0 HB3 ALA A 21 9.251 -15.683 -7.307 1.00 74.33 H new ATOM 304 N ASP A 22 9.061 -16.698 -4.835 1.00 14.12 N ATOM 305 CA ASP A 22 9.654 -17.529 -3.792 1.00 44.44 C ATOM 306 C ASP A 22 9.940 -16.706 -2.540 1.00 3.32 C ATOM 307 O ASP A 22 10.787 -17.072 -1.724 1.00 71.34 O ATOM 308 CB ASP A 22 10.944 -18.176 -4.299 1.00 11.51 C ATOM 309 CG ASP A 22 10.937 -19.684 -4.139 1.00 13.44 C ATOM 310 OD1 ASP A 22 11.023 -20.159 -2.987 1.00 13.34 O ATOM 311 OD2 ASP A 22 10.844 -20.388 -5.164 1.00 53.45 O ATOM 0 H ASP A 22 9.664 -15.947 -5.170 1.00 14.12 H new ATOM 0 HA ASP A 22 8.941 -18.312 -3.535 1.00 44.44 H new ATOM 0 HB2 ASP A 22 11.084 -17.926 -5.351 1.00 11.51 H new ATOM 0 HB3 ASP A 22 11.793 -17.760 -3.757 1.00 11.51 H new ATOM 315 N VAL A 23 9.231 -15.591 -2.395 1.00 35.54 N ATOM 316 CA VAL A 23 9.409 -14.717 -1.242 1.00 13.44 C ATOM 317 C VAL A 23 8.144 -14.661 -0.394 1.00 75.23 C ATOM 318 O VAL A 23 7.036 -14.852 -0.898 1.00 35.23 O ATOM 319 CB VAL A 23 9.787 -13.288 -1.674 1.00 51.22 C ATOM 320 CG1 VAL A 23 10.220 -12.462 -0.472 1.00 70.24 C ATOM 321 CG2 VAL A 23 10.881 -13.323 -2.730 1.00 2.11 C ATOM 0 H VAL A 23 8.528 -15.272 -3.062 1.00 35.54 H new ATOM 0 HA VAL A 23 10.222 -15.137 -0.650 1.00 13.44 H new ATOM 0 HB VAL A 23 8.907 -12.815 -2.110 1.00 51.22 H new ATOM 0 HG11 VAL A 23 10.483 -11.456 -0.798 1.00 70.24 H new ATOM 0 HG12 VAL A 23 9.402 -12.409 0.246 1.00 70.24 H new ATOM 0 HG13 VAL A 23 11.086 -12.929 -0.002 1.00 70.24 H new ATOM 0 HG21 VAL A 23 11.136 -12.305 -3.024 1.00 2.11 H new ATOM 0 HG22 VAL A 23 11.764 -13.815 -2.323 1.00 2.11 H new ATOM 0 HG23 VAL A 23 10.528 -13.874 -3.601 1.00 2.11 H new ATOM 331 N VAL A 24 8.314 -14.398 0.898 1.00 52.12 N ATOM 332 CA VAL A 24 7.185 -14.314 1.818 1.00 62.51 C ATOM 333 C VAL A 24 6.553 -12.928 1.789 1.00 23.00 C ATOM 334 O VAL A 24 7.226 -11.933 1.517 1.00 51.30 O ATOM 335 CB VAL A 24 7.612 -14.643 3.261 1.00 11.31 C ATOM 336 CG1 VAL A 24 8.573 -13.588 3.786 1.00 24.44 C ATOM 337 CG2 VAL A 24 6.392 -14.761 4.162 1.00 11.00 C ATOM 0 H VAL A 24 9.223 -14.239 1.332 1.00 52.12 H new ATOM 0 HA VAL A 24 6.452 -15.050 1.487 1.00 62.51 H new ATOM 0 HB VAL A 24 8.129 -15.603 3.260 1.00 11.31 H new ATOM 0 HG11 VAL A 24 8.864 -13.837 4.807 1.00 24.44 H new ATOM 0 HG12 VAL A 24 9.460 -13.557 3.153 1.00 24.44 H new ATOM 0 HG13 VAL A 24 8.085 -12.613 3.775 1.00 24.44 H new ATOM 0 HG21 VAL A 24 6.711 -14.994 5.178 1.00 11.00 H new ATOM 0 HG22 VAL A 24 5.846 -13.818 4.160 1.00 11.00 H new ATOM 0 HG23 VAL A 24 5.744 -15.556 3.794 1.00 11.00 H new ATOM 347 N VAL A 25 5.256 -12.869 2.072 1.00 53.35 N ATOM 348 CA VAL A 25 4.533 -11.603 2.079 1.00 34.12 C ATOM 349 C VAL A 25 3.920 -11.329 3.448 1.00 14.21 C ATOM 350 O VAL A 25 3.326 -12.215 4.064 1.00 14.15 O ATOM 351 CB VAL A 25 3.417 -11.587 1.017 1.00 35.13 C ATOM 352 CG1 VAL A 25 2.474 -12.764 1.216 1.00 54.10 C ATOM 353 CG2 VAL A 25 2.657 -10.270 1.064 1.00 32.41 C ATOM 0 H VAL A 25 4.684 -13.683 2.299 1.00 53.35 H new ATOM 0 HA VAL A 25 5.258 -10.823 1.845 1.00 34.12 H new ATOM 0 HB VAL A 25 3.874 -11.681 0.032 1.00 35.13 H new ATOM 0 HG11 VAL A 25 1.692 -12.736 0.457 1.00 54.10 H new ATOM 0 HG12 VAL A 25 3.032 -13.696 1.128 1.00 54.10 H new ATOM 0 HG13 VAL A 25 2.021 -12.704 2.206 1.00 54.10 H new ATOM 0 HG21 VAL A 25 1.872 -10.276 0.307 1.00 32.41 H new ATOM 0 HG22 VAL A 25 2.210 -10.143 2.050 1.00 32.41 H new ATOM 0 HG23 VAL A 25 3.344 -9.446 0.868 1.00 32.41 H new ATOM 363 N THR A 26 4.067 -10.095 3.921 1.00 44.43 N ATOM 364 CA THR A 26 3.529 -9.703 5.217 1.00 32.23 C ATOM 365 C THR A 26 2.971 -8.285 5.176 1.00 23.13 C ATOM 366 O THR A 26 3.437 -7.448 4.403 1.00 31.13 O ATOM 367 CB THR A 26 4.601 -9.790 6.320 1.00 3.12 C ATOM 368 OG1 THR A 26 5.838 -9.246 5.843 1.00 34.32 O ATOM 369 CG2 THR A 26 4.810 -11.230 6.760 1.00 74.41 C ATOM 0 H THR A 26 4.555 -9.349 3.425 1.00 44.43 H new ATOM 0 HA THR A 26 2.723 -10.400 5.448 1.00 32.23 H new ATOM 0 HB THR A 26 4.257 -9.212 7.178 1.00 3.12 H new ATOM 0 HG1 THR A 26 6.549 -9.431 6.492 1.00 34.32 H new ATOM 0 HG21 THR A 26 5.571 -11.266 7.539 1.00 74.41 H new ATOM 0 HG22 THR A 26 3.874 -11.631 7.149 1.00 74.41 H new ATOM 0 HG23 THR A 26 5.135 -11.827 5.908 1.00 74.41 H new ATOM 377 N ALA A 27 1.972 -8.023 6.012 1.00 2.25 N ATOM 378 CA ALA A 27 1.353 -6.704 6.072 1.00 1.14 C ATOM 379 C ALA A 27 2.122 -5.780 7.011 1.00 54.23 C ATOM 380 O ALA A 27 1.922 -4.564 7.001 1.00 20.54 O ATOM 381 CB ALA A 27 -0.097 -6.822 6.515 1.00 74.14 C ATOM 0 H ALA A 27 1.574 -8.706 6.657 1.00 2.25 H new ATOM 0 HA ALA A 27 1.382 -6.270 5.073 1.00 1.14 H new ATOM 0 HB1 ALA A 27 -0.547 -5.830 6.556 1.00 74.14 H new ATOM 0 HB2 ALA A 27 -0.645 -7.440 5.804 1.00 74.14 H new ATOM 0 HB3 ALA A 27 -0.139 -7.280 7.503 1.00 74.14 H new ATOM 387 N ASP A 28 2.999 -6.362 7.820 1.00 14.23 N ATOM 388 CA ASP A 28 3.798 -5.590 8.765 1.00 31.01 C ATOM 389 C ASP A 28 5.121 -5.165 8.137 1.00 13.34 C ATOM 390 O ASP A 28 5.881 -4.396 8.728 1.00 44.02 O ATOM 391 CB ASP A 28 4.059 -6.406 10.032 1.00 75.33 C ATOM 392 CG ASP A 28 3.515 -5.735 11.277 1.00 53.21 C ATOM 393 OD1 ASP A 28 2.339 -5.984 11.621 1.00 42.41 O ATOM 394 OD2 ASP A 28 4.262 -4.960 11.908 1.00 24.21 O ATOM 0 H ASP A 28 3.175 -7.366 7.841 1.00 14.23 H new ATOM 0 HA ASP A 28 3.237 -4.694 9.029 1.00 31.01 H new ATOM 0 HB2 ASP A 28 3.604 -7.391 9.926 1.00 75.33 H new ATOM 0 HB3 ASP A 28 5.132 -6.561 10.146 1.00 75.33 H new ATOM 398 N SER A 29 5.391 -5.670 6.939 1.00 43.52 N ATOM 399 CA SER A 29 6.625 -5.346 6.233 1.00 24.00 C ATOM 400 C SER A 29 6.654 -3.873 5.836 1.00 43.45 C ATOM 401 O SER A 29 6.175 -3.498 4.766 1.00 64.51 O ATOM 402 CB SER A 29 6.771 -6.224 4.988 1.00 2.31 C ATOM 403 OG SER A 29 7.673 -7.292 5.220 1.00 11.12 O ATOM 0 H SER A 29 4.772 -6.306 6.436 1.00 43.52 H new ATOM 0 HA SER A 29 7.460 -5.539 6.906 1.00 24.00 H new ATOM 0 HB2 SER A 29 5.797 -6.622 4.704 1.00 2.31 H new ATOM 0 HB3 SER A 29 7.125 -5.620 4.153 1.00 2.31 H new ATOM 0 HG SER A 29 7.169 -8.119 5.370 1.00 11.12 H new ATOM 408 N GLU A 30 7.219 -3.043 6.707 1.00 34.40 N ATOM 409 CA GLU A 30 7.309 -1.610 6.449 1.00 62.32 C ATOM 410 C GLU A 30 7.909 -1.344 5.071 1.00 54.20 C ATOM 411 O GLU A 30 9.107 -1.528 4.857 1.00 3.43 O ATOM 412 CB GLU A 30 8.153 -0.928 7.526 1.00 4.34 C ATOM 413 CG GLU A 30 7.705 -1.243 8.943 1.00 63.11 C ATOM 414 CD GLU A 30 8.475 -0.460 9.987 1.00 3.33 C ATOM 415 OE1 GLU A 30 9.617 -0.855 10.302 1.00 3.42 O ATOM 416 OE2 GLU A 30 7.936 0.548 10.489 1.00 31.23 O ATOM 0 H GLU A 30 7.621 -3.338 7.597 1.00 34.40 H new ATOM 0 HA GLU A 30 6.301 -1.197 6.474 1.00 62.32 H new ATOM 0 HB2 GLU A 30 9.193 -1.232 7.407 1.00 4.34 H new ATOM 0 HB3 GLU A 30 8.117 0.151 7.374 1.00 4.34 H new ATOM 0 HG2 GLU A 30 6.642 -1.023 9.041 1.00 63.11 H new ATOM 0 HG3 GLU A 30 7.829 -2.310 9.130 1.00 63.11 H new ATOM 421 N PHE A 31 7.066 -0.909 4.140 1.00 4.31 N ATOM 422 CA PHE A 31 7.511 -0.617 2.782 1.00 60.44 C ATOM 423 C PHE A 31 8.363 0.648 2.748 1.00 10.33 C ATOM 424 O PHE A 31 9.264 0.782 1.920 1.00 73.54 O ATOM 425 CB PHE A 31 6.308 -0.460 1.850 1.00 73.11 C ATOM 426 CG PHE A 31 5.650 0.887 1.942 1.00 72.50 C ATOM 427 CD1 PHE A 31 4.773 1.176 2.975 1.00 33.24 C ATOM 428 CD2 PHE A 31 5.909 1.865 0.995 1.00 21.45 C ATOM 429 CE1 PHE A 31 4.167 2.415 3.063 1.00 23.55 C ATOM 430 CE2 PHE A 31 5.306 3.105 1.079 1.00 43.44 C ATOM 431 CZ PHE A 31 4.433 3.380 2.113 1.00 44.51 C ATOM 0 H PHE A 31 6.071 -0.751 4.301 1.00 4.31 H new ATOM 0 HA PHE A 31 8.120 -1.453 2.440 1.00 60.44 H new ATOM 0 HB2 PHE A 31 6.630 -0.629 0.822 1.00 73.11 H new ATOM 0 HB3 PHE A 31 5.574 -1.231 2.084 1.00 73.11 H new ATOM 0 HD1 PHE A 31 4.560 0.424 3.720 1.00 33.24 H new ATOM 0 HD2 PHE A 31 6.589 1.656 0.183 1.00 21.45 H new ATOM 0 HE1 PHE A 31 3.486 2.628 3.874 1.00 23.55 H new ATOM 0 HE2 PHE A 31 5.517 3.860 0.336 1.00 43.44 H new ATOM 0 HZ PHE A 31 3.959 4.348 2.178 1.00 44.51 H new ATOM 440 N SER A 32 8.071 1.574 3.656 1.00 40.54 N ATOM 441 CA SER A 32 8.806 2.832 3.728 1.00 62.41 C ATOM 442 C SER A 32 10.130 2.645 4.465 1.00 63.25 C ATOM 443 O SER A 32 10.319 1.669 5.190 1.00 61.42 O ATOM 444 CB SER A 32 7.965 3.898 4.431 1.00 11.53 C ATOM 445 OG SER A 32 6.823 3.327 5.044 1.00 62.11 O ATOM 0 H SER A 32 7.331 1.477 4.352 1.00 40.54 H new ATOM 0 HA SER A 32 9.019 3.160 2.710 1.00 62.41 H new ATOM 0 HB2 SER A 32 8.570 4.405 5.183 1.00 11.53 H new ATOM 0 HB3 SER A 32 7.654 4.654 3.710 1.00 11.53 H new ATOM 0 HG SER A 32 6.153 3.121 4.359 1.00 62.11 H new ATOM 450 N LYS A 33 11.045 3.589 4.272 1.00 51.34 N ATOM 451 CA LYS A 33 12.351 3.533 4.917 1.00 61.51 C ATOM 452 C LYS A 33 12.354 4.338 6.213 1.00 63.33 C ATOM 453 O LYS A 33 12.926 3.914 7.217 1.00 13.15 O ATOM 454 CB LYS A 33 13.432 4.062 3.972 1.00 24.13 C ATOM 455 CG LYS A 33 14.511 3.042 3.650 1.00 34.40 C ATOM 456 CD LYS A 33 15.874 3.499 4.140 1.00 24.53 C ATOM 457 CE LYS A 33 16.891 2.368 4.092 1.00 24.42 C ATOM 458 NZ LYS A 33 18.250 2.827 4.492 1.00 35.03 N ATOM 0 H LYS A 33 10.906 4.403 3.673 1.00 51.34 H new ATOM 0 HA LYS A 33 12.565 2.492 5.158 1.00 61.51 H new ATOM 0 HB2 LYS A 33 12.963 4.388 3.043 1.00 24.13 H new ATOM 0 HB3 LYS A 33 13.896 4.940 4.420 1.00 24.13 H new ATOM 0 HG2 LYS A 33 14.259 2.087 4.111 1.00 34.40 H new ATOM 0 HG3 LYS A 33 14.547 2.877 2.573 1.00 34.40 H new ATOM 0 HD2 LYS A 33 16.223 4.330 3.527 1.00 24.53 H new ATOM 0 HD3 LYS A 33 15.789 3.870 5.161 1.00 24.53 H new ATOM 0 HE2 LYS A 33 16.570 1.563 4.753 1.00 24.42 H new ATOM 0 HE3 LYS A 33 16.929 1.956 3.083 1.00 24.42 H new ATOM 0 HZ1 LYS A 33 18.914 2.028 4.446 1.00 35.03 H new ATOM 0 HZ2 LYS A 33 18.567 3.578 3.846 1.00 35.03 H new ATOM 0 HZ3 LYS A 33 18.220 3.197 5.464 1.00 35.03 H new ATOM 468 N LEU A 34 11.711 5.500 6.182 1.00 13.35 N ATOM 469 CA LEU A 34 11.638 6.364 7.355 1.00 3.43 C ATOM 470 C LEU A 34 13.034 6.699 7.872 1.00 51.42 C ATOM 471 O LEU A 34 13.303 6.602 9.069 1.00 44.02 O ATOM 472 CB LEU A 34 10.820 5.692 8.459 1.00 5.13 C ATOM 473 CG LEU A 34 10.213 6.624 9.507 1.00 0.15 C ATOM 474 CD1 LEU A 34 9.022 7.373 8.930 1.00 4.01 C ATOM 475 CD2 LEU A 34 9.803 5.839 10.745 1.00 11.32 C ATOM 0 H LEU A 34 11.233 5.865 5.358 1.00 13.35 H new ATOM 0 HA LEU A 34 11.147 7.292 7.062 1.00 3.43 H new ATOM 0 HB2 LEU A 34 10.012 5.128 7.993 1.00 5.13 H new ATOM 0 HB3 LEU A 34 11.459 4.971 8.969 1.00 5.13 H new ATOM 0 HG LEU A 34 10.969 7.354 9.797 1.00 0.15 H new ATOM 0 HD11 LEU A 34 8.603 8.032 9.691 1.00 4.01 H new ATOM 0 HD12 LEU A 34 9.345 7.966 8.074 1.00 4.01 H new ATOM 0 HD13 LEU A 34 8.263 6.659 8.611 1.00 4.01 H new ATOM 0 HD21 LEU A 34 9.373 6.518 11.481 1.00 11.32 H new ATOM 0 HD22 LEU A 34 9.064 5.086 10.470 1.00 11.32 H new ATOM 0 HD23 LEU A 34 10.678 5.349 11.172 1.00 11.32 H new ATOM 486 N GLY A 35 13.917 7.098 6.962 1.00 64.33 N ATOM 487 CA GLY A 35 15.274 7.443 7.346 1.00 40.34 C ATOM 488 C GLY A 35 15.886 8.487 6.433 1.00 32.13 C ATOM 489 O GLY A 35 16.403 9.502 6.900 1.00 63.14 O ATOM 0 H GLY A 35 13.717 7.189 5.966 1.00 64.33 H new ATOM 0 HA2 GLY A 35 15.275 7.815 8.371 1.00 40.34 H new ATOM 0 HA3 GLY A 35 15.892 6.545 7.332 1.00 40.34 H new ATOM 493 N ALA A 36 15.829 8.238 5.130 1.00 42.45 N ATOM 494 CA ALA A 36 16.382 9.165 4.150 1.00 60.45 C ATOM 495 C ALA A 36 15.447 9.324 2.956 1.00 50.33 C ATOM 496 O ALA A 36 14.411 8.663 2.873 1.00 10.12 O ATOM 497 CB ALA A 36 17.752 8.690 3.689 1.00 41.11 C ATOM 0 H ALA A 36 15.405 7.402 4.728 1.00 42.45 H new ATOM 0 HA ALA A 36 16.488 10.139 4.628 1.00 60.45 H new ATOM 0 HB1 ALA A 36 18.153 9.391 2.957 1.00 41.11 H new ATOM 0 HB2 ALA A 36 18.425 8.634 4.545 1.00 41.11 H new ATOM 0 HB3 ALA A 36 17.661 7.704 3.234 1.00 41.11 H new ATOM 503 N ASP A 37 15.818 10.204 2.033 1.00 44.12 N ATOM 504 CA ASP A 37 15.012 10.450 0.842 1.00 44.31 C ATOM 505 C ASP A 37 15.173 9.317 -0.167 1.00 11.11 C ATOM 506 O ASP A 37 16.256 9.106 -0.711 1.00 11.03 O ATOM 507 CB ASP A 37 15.406 11.781 0.199 1.00 72.12 C ATOM 508 CG ASP A 37 14.636 12.058 -1.077 1.00 71.43 C ATOM 509 OD1 ASP A 37 13.408 12.270 -0.995 1.00 13.11 O ATOM 510 OD2 ASP A 37 15.261 12.063 -2.157 1.00 4.42 O ATOM 0 H ASP A 37 16.672 10.759 2.086 1.00 44.12 H new ATOM 0 HA ASP A 37 13.966 10.497 1.145 1.00 44.31 H new ATOM 0 HB2 ASP A 37 15.231 12.590 0.908 1.00 72.12 H new ATOM 0 HB3 ASP A 37 16.474 11.774 -0.019 1.00 72.12 H new ATOM 514 N SER A 38 14.087 8.589 -0.410 1.00 0.05 N ATOM 515 CA SER A 38 14.109 7.474 -1.349 1.00 51.02 C ATOM 516 C SER A 38 13.308 7.806 -2.604 1.00 51.12 C ATOM 517 O SER A 38 13.549 7.246 -3.675 1.00 61.40 O ATOM 518 CB SER A 38 13.546 6.214 -0.690 1.00 23.23 C ATOM 519 OG SER A 38 12.479 6.530 0.186 1.00 35.32 O ATOM 0 H SER A 38 13.182 8.752 0.030 1.00 0.05 H new ATOM 0 HA SER A 38 15.145 7.293 -1.637 1.00 51.02 H new ATOM 0 HB2 SER A 38 13.198 5.523 -1.458 1.00 23.23 H new ATOM 0 HB3 SER A 38 14.336 5.705 -0.137 1.00 23.23 H new ATOM 0 HG SER A 38 12.135 5.707 0.593 1.00 35.32 H new ATOM 524 N LEU A 39 12.355 8.720 -2.466 1.00 73.12 N ATOM 525 CA LEU A 39 11.516 9.128 -3.588 1.00 21.13 C ATOM 526 C LEU A 39 10.795 7.928 -4.193 1.00 53.43 C ATOM 527 O LEU A 39 10.665 7.820 -5.412 1.00 70.22 O ATOM 528 CB LEU A 39 12.363 9.820 -4.657 1.00 23.12 C ATOM 529 CG LEU A 39 12.976 11.164 -4.262 1.00 4.23 C ATOM 530 CD1 LEU A 39 14.012 11.601 -5.286 1.00 63.25 C ATOM 531 CD2 LEU A 39 11.892 12.222 -4.113 1.00 65.13 C ATOM 0 H LEU A 39 12.143 9.193 -1.588 1.00 73.12 H new ATOM 0 HA LEU A 39 10.768 9.828 -3.215 1.00 21.13 H new ATOM 0 HB2 LEU A 39 13.170 9.146 -4.945 1.00 23.12 H new ATOM 0 HB3 LEU A 39 11.743 9.972 -5.541 1.00 23.12 H new ATOM 0 HG LEU A 39 13.474 11.045 -3.300 1.00 4.23 H new ATOM 0 HD11 LEU A 39 14.437 12.559 -4.988 1.00 63.25 H new ATOM 0 HD12 LEU A 39 14.804 10.855 -5.343 1.00 63.25 H new ATOM 0 HD13 LEU A 39 13.538 11.703 -6.262 1.00 63.25 H new ATOM 0 HD21 LEU A 39 12.347 13.172 -3.832 1.00 65.13 H new ATOM 0 HD22 LEU A 39 11.365 12.339 -5.060 1.00 65.13 H new ATOM 0 HD23 LEU A 39 11.187 11.914 -3.341 1.00 65.13 H new ATOM 542 N ASP A 40 10.326 7.031 -3.333 1.00 12.21 N ATOM 543 CA ASP A 40 9.614 5.841 -3.782 1.00 32.01 C ATOM 544 C ASP A 40 8.126 5.942 -3.455 1.00 24.41 C ATOM 545 O ASP A 40 7.302 5.236 -4.037 1.00 41.33 O ATOM 546 CB ASP A 40 10.207 4.590 -3.132 1.00 65.32 C ATOM 547 CG ASP A 40 10.561 3.522 -4.149 1.00 21.14 C ATOM 548 OD1 ASP A 40 11.070 3.880 -5.233 1.00 30.42 O ATOM 549 OD2 ASP A 40 10.330 2.330 -3.861 1.00 72.34 O ATOM 0 H ASP A 40 10.426 7.106 -2.321 1.00 12.21 H new ATOM 0 HA ASP A 40 9.726 5.767 -4.864 1.00 32.01 H new ATOM 0 HB2 ASP A 40 11.101 4.864 -2.571 1.00 65.32 H new ATOM 0 HB3 ASP A 40 9.493 4.183 -2.416 1.00 65.32 H new ATOM 553 N THR A 41 7.790 6.822 -2.518 1.00 13.01 N ATOM 554 CA THR A 41 6.404 7.013 -2.111 1.00 10.52 C ATOM 555 C THR A 41 5.504 7.247 -3.320 1.00 15.45 C ATOM 556 O THR A 41 4.492 6.569 -3.493 1.00 20.13 O ATOM 557 CB THR A 41 6.261 8.202 -1.141 1.00 5.30 C ATOM 558 OG1 THR A 41 7.017 7.956 0.050 1.00 4.30 O ATOM 559 CG2 THR A 41 4.802 8.436 -0.783 1.00 63.23 C ATOM 0 H THR A 41 8.459 7.414 -2.026 1.00 13.01 H new ATOM 0 HA THR A 41 6.095 6.100 -1.602 1.00 10.52 H new ATOM 0 HB THR A 41 6.644 9.094 -1.636 1.00 5.30 H new ATOM 0 HG1 THR A 41 6.922 8.717 0.660 1.00 4.30 H new ATOM 0 HG21 THR A 41 4.726 9.280 -0.097 1.00 63.23 H new ATOM 0 HG22 THR A 41 4.235 8.652 -1.689 1.00 63.23 H new ATOM 0 HG23 THR A 41 4.397 7.544 -0.306 1.00 63.23 H new ATOM 567 N VAL A 42 5.879 8.212 -4.153 1.00 43.51 N ATOM 568 CA VAL A 42 5.107 8.535 -5.347 1.00 22.51 C ATOM 569 C VAL A 42 4.825 7.285 -6.174 1.00 21.54 C ATOM 570 O VAL A 42 3.771 7.166 -6.796 1.00 24.11 O ATOM 571 CB VAL A 42 5.838 9.566 -6.228 1.00 33.42 C ATOM 572 CG1 VAL A 42 5.001 9.914 -7.449 1.00 23.43 C ATOM 573 CG2 VAL A 42 6.169 10.814 -5.423 1.00 73.32 C ATOM 0 H VAL A 42 6.713 8.784 -4.023 1.00 43.51 H new ATOM 0 HA VAL A 42 4.164 8.963 -5.007 1.00 22.51 H new ATOM 0 HB VAL A 42 6.773 9.126 -6.573 1.00 33.42 H new ATOM 0 HG11 VAL A 42 5.533 10.643 -8.059 1.00 23.43 H new ATOM 0 HG12 VAL A 42 4.821 9.013 -8.035 1.00 23.43 H new ATOM 0 HG13 VAL A 42 4.048 10.335 -7.129 1.00 23.43 H new ATOM 0 HG21 VAL A 42 6.685 11.532 -6.060 1.00 73.32 H new ATOM 0 HG22 VAL A 42 5.248 11.259 -5.047 1.00 73.32 H new ATOM 0 HG23 VAL A 42 6.811 10.546 -4.584 1.00 73.32 H new ATOM 583 N GLU A 43 5.776 6.355 -6.173 1.00 44.42 N ATOM 584 CA GLU A 43 5.629 5.114 -6.924 1.00 24.52 C ATOM 585 C GLU A 43 4.600 4.199 -6.267 1.00 23.55 C ATOM 586 O GLU A 43 3.710 3.670 -6.933 1.00 60.35 O ATOM 587 CB GLU A 43 6.975 4.394 -7.029 1.00 63.30 C ATOM 588 CG GLU A 43 7.636 4.534 -8.390 1.00 30.43 C ATOM 589 CD GLU A 43 8.899 3.704 -8.513 1.00 63.01 C ATOM 590 OE1 GLU A 43 9.142 2.858 -7.626 1.00 42.20 O ATOM 591 OE2 GLU A 43 9.645 3.899 -9.495 1.00 44.42 O ATOM 0 H GLU A 43 6.655 6.438 -5.661 1.00 44.42 H new ATOM 0 HA GLU A 43 5.279 5.364 -7.926 1.00 24.52 H new ATOM 0 HB2 GLU A 43 7.648 4.786 -6.266 1.00 63.30 H new ATOM 0 HB3 GLU A 43 6.829 3.336 -6.812 1.00 63.30 H new ATOM 0 HG2 GLU A 43 6.931 4.233 -9.165 1.00 30.43 H new ATOM 0 HG3 GLU A 43 7.876 5.582 -8.567 1.00 30.43 H new ATOM 596 N ILE A 44 4.730 4.017 -4.957 1.00 75.02 N ATOM 597 CA ILE A 44 3.811 3.166 -4.210 1.00 5.50 C ATOM 598 C ILE A 44 2.385 3.700 -4.285 1.00 41.11 C ATOM 599 O ILE A 44 1.460 2.978 -4.661 1.00 43.14 O ATOM 600 CB ILE A 44 4.228 3.052 -2.731 1.00 53.34 C ATOM 601 CG1 ILE A 44 5.603 2.393 -2.616 1.00 0.15 C ATOM 602 CG2 ILE A 44 3.188 2.262 -1.949 1.00 43.31 C ATOM 603 CD1 ILE A 44 5.643 0.979 -3.152 1.00 1.25 C ATOM 0 H ILE A 44 5.462 4.447 -4.391 1.00 75.02 H new ATOM 0 HA ILE A 44 3.851 2.178 -4.668 1.00 5.50 H new ATOM 0 HB ILE A 44 4.290 4.054 -2.307 1.00 53.34 H new ATOM 0 HG12 ILE A 44 6.333 2.998 -3.155 1.00 0.15 H new ATOM 0 HG13 ILE A 44 5.906 2.385 -1.569 1.00 0.15 H new ATOM 0 HG21 ILE A 44 3.495 2.189 -0.906 1.00 43.31 H new ATOM 0 HG22 ILE A 44 2.225 2.769 -2.009 1.00 43.31 H new ATOM 0 HG23 ILE A 44 3.098 1.261 -2.371 1.00 43.31 H new ATOM 0 HD11 ILE A 44 6.649 0.575 -3.038 1.00 1.25 H new ATOM 0 HD12 ILE A 44 4.938 0.360 -2.598 1.00 1.25 H new ATOM 0 HD13 ILE A 44 5.371 0.982 -4.208 1.00 1.25 H new ATOM 614 N VAL A 45 2.213 4.968 -3.927 1.00 71.25 N ATOM 615 CA VAL A 45 0.899 5.599 -3.957 1.00 13.02 C ATOM 616 C VAL A 45 0.282 5.518 -5.348 1.00 71.24 C ATOM 617 O VAL A 45 -0.929 5.353 -5.492 1.00 74.23 O ATOM 618 CB VAL A 45 0.976 7.076 -3.526 1.00 44.12 C ATOM 619 CG1 VAL A 45 1.891 7.857 -4.458 1.00 32.14 C ATOM 620 CG2 VAL A 45 -0.415 7.693 -3.491 1.00 2.13 C ATOM 0 H VAL A 45 2.967 5.579 -3.613 1.00 71.25 H new ATOM 0 HA VAL A 45 0.270 5.055 -3.252 1.00 13.02 H new ATOM 0 HB VAL A 45 1.395 7.122 -2.521 1.00 44.12 H new ATOM 0 HG11 VAL A 45 1.933 8.898 -4.138 1.00 32.14 H new ATOM 0 HG12 VAL A 45 2.892 7.428 -4.429 1.00 32.14 H new ATOM 0 HG13 VAL A 45 1.504 7.805 -5.476 1.00 32.14 H new ATOM 0 HG21 VAL A 45 -0.343 8.737 -3.185 1.00 2.13 H new ATOM 0 HG22 VAL A 45 -0.863 7.636 -4.483 1.00 2.13 H new ATOM 0 HG23 VAL A 45 -1.037 7.149 -2.780 1.00 2.13 H new ATOM 630 N MET A 46 1.122 5.635 -6.371 1.00 20.23 N ATOM 631 CA MET A 46 0.660 5.573 -7.751 1.00 52.15 C ATOM 632 C MET A 46 0.200 4.163 -8.108 1.00 73.14 C ATOM 633 O MET A 46 -0.847 3.979 -8.729 1.00 22.11 O ATOM 634 CB MET A 46 1.770 6.015 -8.705 1.00 1.44 C ATOM 635 CG MET A 46 1.755 7.505 -9.005 1.00 45.34 C ATOM 636 SD MET A 46 0.885 7.897 -10.536 1.00 73.25 S ATOM 637 CE MET A 46 -0.655 7.018 -10.283 1.00 74.54 C ATOM 0 H MET A 46 2.127 5.773 -6.269 1.00 20.23 H new ATOM 0 HA MET A 46 -0.188 6.250 -7.853 1.00 52.15 H new ATOM 0 HB2 MET A 46 2.735 5.749 -8.274 1.00 1.44 H new ATOM 0 HB3 MET A 46 1.675 5.463 -9.640 1.00 1.44 H new ATOM 0 HG2 MET A 46 1.282 8.034 -8.177 1.00 45.34 H new ATOM 0 HG3 MET A 46 2.780 7.869 -9.071 1.00 45.34 H new ATOM 0 HE1 MET A 46 -1.324 7.207 -11.123 1.00 74.54 H new ATOM 0 HE2 MET A 46 -0.456 5.949 -10.211 1.00 74.54 H new ATOM 0 HE3 MET A 46 -1.124 7.363 -9.361 1.00 74.54 H new ATOM 645 N ASN A 47 0.989 3.170 -7.712 1.00 23.23 N ATOM 646 CA ASN A 47 0.663 1.775 -7.990 1.00 40.55 C ATOM 647 C ASN A 47 -0.698 1.409 -7.407 1.00 30.34 C ATOM 648 O ASN A 47 -1.587 0.943 -8.121 1.00 12.12 O ATOM 649 CB ASN A 47 1.741 0.853 -7.419 1.00 2.12 C ATOM 650 CG ASN A 47 2.634 0.271 -8.497 1.00 62.11 C ATOM 651 OD1 ASN A 47 3.741 0.756 -8.732 1.00 11.15 O ATOM 652 ND2 ASN A 47 2.156 -0.777 -9.159 1.00 51.20 N ATOM 0 H ASN A 47 1.859 3.305 -7.197 1.00 23.23 H new ATOM 0 HA ASN A 47 0.622 1.646 -9.072 1.00 40.55 H new ATOM 0 HB2 ASN A 47 2.351 1.409 -6.707 1.00 2.12 H new ATOM 0 HB3 ASN A 47 1.266 0.042 -6.867 1.00 2.12 H new ATOM 0 HD21 ASN A 47 2.712 -1.212 -9.895 1.00 51.20 H new ATOM 0 HD22 ASN A 47 1.233 -1.146 -8.931 1.00 51.20 H new ATOM 658 N LEU A 48 -0.854 1.621 -6.104 1.00 43.13 N ATOM 659 CA LEU A 48 -2.107 1.313 -5.424 1.00 71.13 C ATOM 660 C LEU A 48 -3.258 2.125 -6.008 1.00 64.32 C ATOM 661 O LEU A 48 -4.284 1.569 -6.402 1.00 12.34 O ATOM 662 CB LEU A 48 -1.978 1.594 -3.925 1.00 42.42 C ATOM 663 CG LEU A 48 -0.792 0.940 -3.219 1.00 25.33 C ATOM 664 CD1 LEU A 48 -0.673 1.450 -1.791 1.00 64.43 C ATOM 665 CD2 LEU A 48 -0.930 -0.575 -3.236 1.00 32.23 C ATOM 0 H LEU A 48 -0.129 2.005 -5.498 1.00 43.13 H new ATOM 0 HA LEU A 48 -2.322 0.255 -5.573 1.00 71.13 H new ATOM 0 HB2 LEU A 48 -1.910 2.673 -3.783 1.00 42.42 H new ATOM 0 HB3 LEU A 48 -2.894 1.265 -3.434 1.00 42.42 H new ATOM 0 HG LEU A 48 0.118 1.208 -3.756 1.00 25.33 H new ATOM 0 HD11 LEU A 48 0.177 0.973 -1.304 1.00 64.43 H new ATOM 0 HD12 LEU A 48 -0.526 2.530 -1.801 1.00 64.43 H new ATOM 0 HD13 LEU A 48 -1.585 1.213 -1.243 1.00 64.43 H new ATOM 0 HD21 LEU A 48 -0.076 -1.024 -2.729 1.00 32.23 H new ATOM 0 HD22 LEU A 48 -1.848 -0.862 -2.724 1.00 32.23 H new ATOM 0 HD23 LEU A 48 -0.965 -0.926 -4.267 1.00 32.23 H new ATOM 676 N GLU A 49 -3.079 3.441 -6.065 1.00 51.24 N ATOM 677 CA GLU A 49 -4.103 4.328 -6.605 1.00 12.15 C ATOM 678 C GLU A 49 -4.468 3.934 -8.033 1.00 12.24 C ATOM 679 O GLU A 49 -5.597 4.139 -8.475 1.00 12.24 O ATOM 680 CB GLU A 49 -3.620 5.779 -6.571 1.00 55.43 C ATOM 681 CG GLU A 49 -4.737 6.796 -6.744 1.00 41.43 C ATOM 682 CD GLU A 49 -4.216 8.201 -6.977 1.00 0.05 C ATOM 683 OE1 GLU A 49 -3.045 8.464 -6.627 1.00 71.15 O ATOM 684 OE2 GLU A 49 -4.977 9.037 -7.506 1.00 63.12 O ATOM 0 H GLU A 49 -2.235 3.916 -5.744 1.00 51.24 H new ATOM 0 HA GLU A 49 -4.993 4.234 -5.983 1.00 12.15 H new ATOM 0 HB2 GLU A 49 -3.116 5.963 -5.622 1.00 55.43 H new ATOM 0 HB3 GLU A 49 -2.881 5.926 -7.359 1.00 55.43 H new ATOM 0 HG2 GLU A 49 -5.365 6.501 -7.585 1.00 41.43 H new ATOM 0 HG3 GLU A 49 -5.370 6.790 -5.856 1.00 41.43 H new ATOM 689 N GLU A 50 -3.501 3.368 -8.749 1.00 23.02 N ATOM 690 CA GLU A 50 -3.720 2.947 -10.128 1.00 32.54 C ATOM 691 C GLU A 50 -4.540 1.661 -10.180 1.00 44.42 C ATOM 692 O GLU A 50 -5.587 1.607 -10.824 1.00 52.30 O ATOM 693 CB GLU A 50 -2.381 2.740 -10.840 1.00 12.02 C ATOM 694 CG GLU A 50 -2.523 2.248 -12.271 1.00 2.15 C ATOM 695 CD GLU A 50 -2.090 0.805 -12.436 1.00 72.11 C ATOM 696 OE1 GLU A 50 -2.867 -0.095 -12.051 1.00 42.34 O ATOM 697 OE2 GLU A 50 -0.976 0.574 -12.951 1.00 33.24 O ATOM 0 H GLU A 50 -2.560 3.191 -8.398 1.00 23.02 H new ATOM 0 HA GLU A 50 -4.277 3.734 -10.637 1.00 32.54 H new ATOM 0 HB2 GLU A 50 -1.830 3.681 -10.841 1.00 12.02 H new ATOM 0 HB3 GLU A 50 -1.786 2.023 -10.275 1.00 12.02 H new ATOM 0 HG2 GLU A 50 -3.562 2.350 -12.585 1.00 2.15 H new ATOM 0 HG3 GLU A 50 -1.927 2.880 -12.930 1.00 2.15 H new ATOM 702 N GLU A 51 -4.056 0.629 -9.498 1.00 65.41 N ATOM 703 CA GLU A 51 -4.742 -0.657 -9.469 1.00 34.31 C ATOM 704 C GLU A 51 -6.151 -0.508 -8.902 1.00 40.34 C ATOM 705 O GLU A 51 -7.128 -0.942 -9.514 1.00 73.35 O ATOM 706 CB GLU A 51 -3.950 -1.666 -8.635 1.00 15.42 C ATOM 707 CG GLU A 51 -4.286 -3.113 -8.950 1.00 21.22 C ATOM 708 CD GLU A 51 -3.611 -3.608 -10.214 1.00 53.31 C ATOM 709 OE1 GLU A 51 -2.491 -3.141 -10.509 1.00 10.43 O ATOM 710 OE2 GLU A 51 -4.203 -4.460 -10.909 1.00 23.13 O ATOM 0 H GLU A 51 -3.191 0.658 -8.958 1.00 65.41 H new ATOM 0 HA GLU A 51 -4.816 -1.023 -10.493 1.00 34.31 H new ATOM 0 HB2 GLU A 51 -2.885 -1.505 -8.801 1.00 15.42 H new ATOM 0 HB3 GLU A 51 -4.140 -1.480 -7.578 1.00 15.42 H new ATOM 0 HG2 GLU A 51 -3.986 -3.742 -8.112 1.00 21.22 H new ATOM 0 HG3 GLU A 51 -5.366 -3.216 -9.055 1.00 21.22 H new ATOM 715 N PHE A 52 -6.249 0.110 -7.730 1.00 53.14 N ATOM 716 CA PHE A 52 -7.538 0.316 -7.079 1.00 62.41 C ATOM 717 C PHE A 52 -8.344 1.394 -7.798 1.00 31.34 C ATOM 718 O PHE A 52 -9.568 1.441 -7.693 1.00 54.11 O ATOM 719 CB PHE A 52 -7.336 0.706 -5.613 1.00 34.21 C ATOM 720 CG PHE A 52 -6.748 -0.394 -4.775 1.00 51.30 C ATOM 721 CD1 PHE A 52 -7.460 -1.558 -4.538 1.00 41.52 C ATOM 722 CD2 PHE A 52 -5.483 -0.262 -4.225 1.00 33.20 C ATOM 723 CE1 PHE A 52 -6.922 -2.572 -3.767 1.00 44.24 C ATOM 724 CE2 PHE A 52 -4.940 -1.272 -3.454 1.00 43.13 C ATOM 725 CZ PHE A 52 -5.660 -2.428 -3.225 1.00 32.02 C ATOM 0 H PHE A 52 -5.451 0.477 -7.211 1.00 53.14 H new ATOM 0 HA PHE A 52 -8.094 -0.620 -7.125 1.00 62.41 H new ATOM 0 HB2 PHE A 52 -6.683 1.578 -5.564 1.00 34.21 H new ATOM 0 HB3 PHE A 52 -8.295 1.002 -5.189 1.00 34.21 H new ATOM 0 HD1 PHE A 52 -8.447 -1.675 -4.960 1.00 41.52 H new ATOM 0 HD2 PHE A 52 -4.915 0.640 -4.401 1.00 33.20 H new ATOM 0 HE1 PHE A 52 -7.488 -3.475 -3.589 1.00 44.24 H new ATOM 0 HE2 PHE A 52 -3.953 -1.157 -3.031 1.00 43.13 H new ATOM 0 HZ PHE A 52 -5.237 -3.218 -2.623 1.00 32.02 H new ATOM 734 N GLY A 53 -7.646 2.258 -8.528 1.00 32.42 N ATOM 735 CA GLY A 53 -8.312 3.324 -9.253 1.00 70.21 C ATOM 736 C GLY A 53 -8.920 4.361 -8.330 1.00 51.32 C ATOM 737 O GLY A 53 -9.836 5.087 -8.718 1.00 40.13 O ATOM 0 H GLY A 53 -6.631 2.239 -8.630 1.00 32.42 H new ATOM 0 HA2 GLY A 53 -7.597 3.809 -9.918 1.00 70.21 H new ATOM 0 HA3 GLY A 53 -9.094 2.898 -9.881 1.00 70.21 H new ATOM 741 N ILE A 54 -8.411 4.431 -7.105 1.00 32.30 N ATOM 742 CA ILE A 54 -8.911 5.386 -6.124 1.00 1.44 C ATOM 743 C ILE A 54 -8.287 6.762 -6.330 1.00 41.44 C ATOM 744 O ILE A 54 -7.546 6.982 -7.287 1.00 21.23 O ATOM 745 CB ILE A 54 -8.626 4.917 -4.685 1.00 13.24 C ATOM 746 CG1 ILE A 54 -7.125 4.698 -4.484 1.00 53.20 C ATOM 747 CG2 ILE A 54 -9.398 3.642 -4.381 1.00 41.22 C ATOM 748 CD1 ILE A 54 -6.767 4.199 -3.101 1.00 44.35 C ATOM 0 H ILE A 54 -7.653 3.838 -6.768 1.00 32.30 H new ATOM 0 HA ILE A 54 -9.989 5.452 -6.269 1.00 1.44 H new ATOM 0 HB ILE A 54 -8.956 5.692 -3.994 1.00 13.24 H new ATOM 0 HG12 ILE A 54 -6.768 3.981 -5.224 1.00 53.20 H new ATOM 0 HG13 ILE A 54 -6.601 5.636 -4.670 1.00 53.20 H new ATOM 0 HG21 ILE A 54 -9.186 3.323 -3.360 1.00 41.22 H new ATOM 0 HG22 ILE A 54 -10.466 3.829 -4.488 1.00 41.22 H new ATOM 0 HG23 ILE A 54 -9.095 2.859 -5.076 1.00 41.22 H new ATOM 0 HD11 ILE A 54 -5.687 4.066 -3.030 1.00 44.35 H new ATOM 0 HD12 ILE A 54 -7.093 4.925 -2.356 1.00 44.35 H new ATOM 0 HD13 ILE A 54 -7.263 3.245 -2.919 1.00 44.35 H new ATOM 759 N ASN A 55 -8.593 7.687 -5.425 1.00 31.24 N ATOM 760 CA ASN A 55 -8.061 9.042 -5.507 1.00 71.13 C ATOM 761 C ASN A 55 -7.286 9.399 -4.242 1.00 3.30 C ATOM 762 O ASN A 55 -7.849 9.933 -3.286 1.00 25.44 O ATOM 763 CB ASN A 55 -9.197 10.045 -5.723 1.00 23.10 C ATOM 764 CG ASN A 55 -10.497 9.592 -5.088 1.00 21.11 C ATOM 765 OD1 ASN A 55 -10.435 9.216 -3.816 1.00 54.21 O flip ATOM 766 ND2 ASN A 55 -11.545 9.581 -5.734 1.00 60.22 N flip ATOM 0 H ASN A 55 -9.206 7.522 -4.627 1.00 31.24 H new ATOM 0 HA ASN A 55 -7.378 9.088 -6.355 1.00 71.13 H new ATOM 0 HB2 ASN A 55 -8.910 11.010 -5.307 1.00 23.10 H new ATOM 0 HB3 ASN A 55 -9.350 10.192 -6.792 1.00 23.10 H new ATOM 0 HD21 ASN A 55 -11.546 9.879 -6.710 1.00 60.22 H new ATOM 0 HD22 ASN A 55 -12.412 9.274 -5.294 1.00 60.22 H new ATOM 772 N VAL A 56 -5.990 9.103 -4.246 1.00 5.44 N ATOM 773 CA VAL A 56 -5.136 9.395 -3.101 1.00 1.22 C ATOM 774 C VAL A 56 -4.500 10.775 -3.226 1.00 41.30 C ATOM 775 O VAL A 56 -4.330 11.294 -4.330 1.00 20.42 O ATOM 776 CB VAL A 56 -4.022 8.341 -2.948 1.00 72.33 C ATOM 777 CG1 VAL A 56 -3.340 8.476 -1.595 1.00 55.15 C ATOM 778 CG2 VAL A 56 -4.587 6.940 -3.133 1.00 4.04 C ATOM 0 H VAL A 56 -5.509 8.661 -5.029 1.00 5.44 H new ATOM 0 HA VAL A 56 -5.774 9.371 -2.217 1.00 1.22 H new ATOM 0 HB VAL A 56 -3.274 8.512 -3.722 1.00 72.33 H new ATOM 0 HG11 VAL A 56 -2.557 7.723 -1.506 1.00 55.15 H new ATOM 0 HG12 VAL A 56 -2.900 9.470 -1.507 1.00 55.15 H new ATOM 0 HG13 VAL A 56 -4.074 8.332 -0.802 1.00 55.15 H new ATOM 0 HG21 VAL A 56 -3.787 6.208 -3.022 1.00 4.04 H new ATOM 0 HG22 VAL A 56 -5.355 6.755 -2.382 1.00 4.04 H new ATOM 0 HG23 VAL A 56 -5.024 6.852 -4.128 1.00 4.04 H new ATOM 788 N ASP A 57 -4.150 11.365 -2.089 1.00 33.02 N ATOM 789 CA ASP A 57 -3.531 12.685 -2.071 1.00 52.42 C ATOM 790 C ASP A 57 -2.157 12.631 -1.411 1.00 45.43 C ATOM 791 O ASP A 57 -1.903 11.788 -0.552 1.00 54.01 O ATOM 792 CB ASP A 57 -4.427 13.682 -1.332 1.00 23.40 C ATOM 793 CG ASP A 57 -4.009 15.120 -1.568 1.00 34.43 C ATOM 794 OD1 ASP A 57 -3.063 15.579 -0.896 1.00 45.20 O ATOM 795 OD2 ASP A 57 -4.631 15.785 -2.423 1.00 3.13 O ATOM 0 H ASP A 57 -4.284 10.950 -1.167 1.00 33.02 H new ATOM 0 HA ASP A 57 -3.406 13.015 -3.102 1.00 52.42 H new ATOM 0 HB2 ASP A 57 -5.459 13.549 -1.656 1.00 23.40 H new ATOM 0 HB3 ASP A 57 -4.399 13.469 -0.263 1.00 23.40 H new ATOM 799 N GLU A 58 -1.274 13.538 -1.820 1.00 74.02 N ATOM 800 CA GLU A 58 0.075 13.591 -1.270 1.00 41.51 C ATOM 801 C GLU A 58 0.038 13.703 0.251 1.00 12.54 C ATOM 802 O GLU A 58 0.823 13.063 0.951 1.00 33.31 O ATOM 803 CB GLU A 58 0.843 14.776 -1.861 1.00 20.22 C ATOM 804 CG GLU A 58 1.529 14.459 -3.180 1.00 14.44 C ATOM 805 CD GLU A 58 2.810 15.247 -3.374 1.00 60.34 C ATOM 806 OE1 GLU A 58 3.576 15.387 -2.398 1.00 54.03 O ATOM 807 OE2 GLU A 58 3.046 15.724 -4.505 1.00 60.41 O ATOM 0 H GLU A 58 -1.469 14.245 -2.529 1.00 74.02 H new ATOM 0 HA GLU A 58 0.586 12.666 -1.536 1.00 41.51 H new ATOM 0 HB2 GLU A 58 0.154 15.607 -2.010 1.00 20.22 H new ATOM 0 HB3 GLU A 58 1.592 15.108 -1.142 1.00 20.22 H new ATOM 0 HG2 GLU A 58 1.752 13.393 -3.222 1.00 14.44 H new ATOM 0 HG3 GLU A 58 0.846 14.674 -4.002 1.00 14.44 H new ATOM 812 N ASP A 59 -0.879 14.521 0.757 1.00 51.03 N ATOM 813 CA ASP A 59 -1.020 14.718 2.195 1.00 65.33 C ATOM 814 C ASP A 59 -1.514 13.442 2.871 1.00 11.30 C ATOM 815 O ASP A 59 -1.353 13.265 4.079 1.00 61.11 O ATOM 816 CB ASP A 59 -1.984 15.869 2.482 1.00 54.24 C ATOM 817 CG ASP A 59 -1.481 17.194 1.944 1.00 75.34 C ATOM 818 OD1 ASP A 59 -0.348 17.585 2.295 1.00 2.03 O ATOM 819 OD2 ASP A 59 -2.220 17.840 1.172 1.00 61.43 O ATOM 0 H ASP A 59 -1.536 15.059 0.192 1.00 51.03 H new ATOM 0 HA ASP A 59 -0.040 14.967 2.601 1.00 65.33 H new ATOM 0 HB2 ASP A 59 -2.954 15.645 2.039 1.00 54.24 H new ATOM 0 HB3 ASP A 59 -2.136 15.952 3.558 1.00 54.24 H new ATOM 823 N LYS A 60 -2.119 12.558 2.085 1.00 51.30 N ATOM 824 CA LYS A 60 -2.637 11.299 2.607 1.00 71.30 C ATOM 825 C LYS A 60 -1.649 10.163 2.367 1.00 65.44 C ATOM 826 O LYS A 60 -1.769 9.089 2.956 1.00 24.44 O ATOM 827 CB LYS A 60 -3.980 10.967 1.953 1.00 55.45 C ATOM 828 CG LYS A 60 -4.748 9.867 2.666 1.00 71.24 C ATOM 829 CD LYS A 60 -5.423 10.384 3.925 1.00 21.41 C ATOM 830 CE LYS A 60 -5.732 9.255 4.896 1.00 64.35 C ATOM 831 NZ LYS A 60 -5.179 9.522 6.253 1.00 42.23 N ATOM 0 H LYS A 60 -2.263 12.690 1.084 1.00 51.30 H new ATOM 0 HA LYS A 60 -2.780 11.411 3.682 1.00 71.30 H new ATOM 0 HB2 LYS A 60 -4.593 11.868 1.925 1.00 55.45 H new ATOM 0 HB3 LYS A 60 -3.807 10.667 0.920 1.00 55.45 H new ATOM 0 HG2 LYS A 60 -5.499 9.452 1.994 1.00 71.24 H new ATOM 0 HG3 LYS A 60 -4.068 9.055 2.924 1.00 71.24 H new ATOM 0 HD2 LYS A 60 -4.778 11.116 4.410 1.00 21.41 H new ATOM 0 HD3 LYS A 60 -6.346 10.899 3.659 1.00 21.41 H new ATOM 0 HE2 LYS A 60 -6.811 9.120 4.964 1.00 64.35 H new ATOM 0 HE3 LYS A 60 -5.318 8.323 4.512 1.00 64.35 H new ATOM 0 HZ1 LYS A 60 -5.411 8.729 6.885 1.00 42.23 H new ATOM 0 HZ2 LYS A 60 -4.146 9.626 6.193 1.00 42.23 H new ATOM 0 HZ3 LYS A 60 -5.593 10.398 6.630 1.00 42.23 H new ATOM 841 N ALA A 61 -0.672 10.408 1.500 1.00 24.55 N ATOM 842 CA ALA A 61 0.340 9.406 1.186 1.00 73.25 C ATOM 843 C ALA A 61 1.741 9.930 1.477 1.00 32.23 C ATOM 844 O ALA A 61 2.676 9.683 0.717 1.00 23.32 O ATOM 845 CB ALA A 61 0.227 8.980 -0.271 1.00 53.43 C ATOM 0 H ALA A 61 -0.560 11.291 1.003 1.00 24.55 H new ATOM 0 HA ALA A 61 0.165 8.538 1.822 1.00 73.25 H new ATOM 0 HB1 ALA A 61 0.988 8.232 -0.491 1.00 53.43 H new ATOM 0 HB2 ALA A 61 -0.761 8.556 -0.451 1.00 53.43 H new ATOM 0 HB3 ALA A 61 0.373 9.847 -0.916 1.00 53.43 H new ATOM 851 N GLN A 62 1.879 10.655 2.582 1.00 33.03 N ATOM 852 CA GLN A 62 3.166 11.216 2.973 1.00 23.43 C ATOM 853 C GLN A 62 3.640 10.623 4.296 1.00 74.22 C ATOM 854 O GLN A 62 4.841 10.531 4.553 1.00 13.10 O ATOM 855 CB GLN A 62 3.070 12.738 3.089 1.00 65.00 C ATOM 856 CG GLN A 62 2.001 13.208 4.061 1.00 14.34 C ATOM 857 CD GLN A 62 2.582 13.729 5.361 1.00 20.11 C ATOM 858 OE1 GLN A 62 3.693 14.258 5.389 1.00 20.05 O ATOM 859 NE2 GLN A 62 1.831 13.581 6.447 1.00 4.21 N ATOM 0 H GLN A 62 1.114 10.868 3.223 1.00 33.03 H new ATOM 0 HA GLN A 62 3.893 10.963 2.201 1.00 23.43 H new ATOM 0 HB2 GLN A 62 4.036 13.131 3.406 1.00 65.00 H new ATOM 0 HB3 GLN A 62 2.863 13.157 2.104 1.00 65.00 H new ATOM 0 HG2 GLN A 62 1.409 13.994 3.592 1.00 14.34 H new ATOM 0 HG3 GLN A 62 1.322 12.382 4.276 1.00 14.34 H new ATOM 0 HE21 GLN A 62 0.916 13.136 6.377 1.00 4.21 H new ATOM 0 HE22 GLN A 62 2.170 13.912 7.350 1.00 4.21 H new ATOM 866 N ASP A 63 2.689 10.221 5.133 1.00 44.51 N ATOM 867 CA ASP A 63 3.008 9.636 6.430 1.00 72.23 C ATOM 868 C ASP A 63 2.234 8.340 6.647 1.00 74.01 C ATOM 869 O ASP A 63 1.607 8.147 7.689 1.00 11.51 O ATOM 870 CB ASP A 63 2.694 10.627 7.552 1.00 11.11 C ATOM 871 CG ASP A 63 3.162 10.134 8.907 1.00 11.44 C ATOM 872 OD1 ASP A 63 4.388 10.126 9.145 1.00 4.11 O ATOM 873 OD2 ASP A 63 2.302 9.758 9.730 1.00 20.20 O ATOM 0 H ASP A 63 1.691 10.290 4.936 1.00 44.51 H new ATOM 0 HA ASP A 63 4.074 9.408 6.446 1.00 72.23 H new ATOM 0 HB2 ASP A 63 3.169 11.583 7.332 1.00 11.11 H new ATOM 0 HB3 ASP A 63 1.619 10.806 7.585 1.00 11.11 H new ATOM 877 N ILE A 64 2.279 7.456 5.656 1.00 20.50 N ATOM 878 CA ILE A 64 1.582 6.179 5.739 1.00 31.11 C ATOM 879 C ILE A 64 2.454 5.117 6.400 1.00 0.14 C ATOM 880 O ILE A 64 3.662 5.059 6.167 1.00 52.11 O ATOM 881 CB ILE A 64 1.152 5.680 4.346 1.00 12.33 C ATOM 882 CG1 ILE A 64 0.142 6.646 3.724 1.00 14.31 C ATOM 883 CG2 ILE A 64 0.566 4.280 4.443 1.00 71.33 C ATOM 884 CD1 ILE A 64 -1.163 6.727 4.486 1.00 40.44 C ATOM 0 H ILE A 64 2.791 7.601 4.786 1.00 20.50 H new ATOM 0 HA ILE A 64 0.693 6.345 6.347 1.00 31.11 H new ATOM 0 HB ILE A 64 2.031 5.640 3.703 1.00 12.33 H new ATOM 0 HG12 ILE A 64 0.586 7.640 3.673 1.00 14.31 H new ATOM 0 HG13 ILE A 64 -0.063 6.335 2.700 1.00 14.31 H new ATOM 0 HG21 ILE A 64 0.267 3.941 3.451 1.00 71.33 H new ATOM 0 HG22 ILE A 64 1.315 3.599 4.848 1.00 71.33 H new ATOM 0 HG23 ILE A 64 -0.304 4.294 5.099 1.00 71.33 H new ATOM 0 HD11 ILE A 64 -1.831 7.430 3.989 1.00 40.44 H new ATOM 0 HD12 ILE A 64 -1.629 5.742 4.515 1.00 40.44 H new ATOM 0 HD13 ILE A 64 -0.970 7.067 5.503 1.00 40.44 H new ATOM 895 N SER A 65 1.834 4.278 7.224 1.00 5.42 N ATOM 896 CA SER A 65 2.555 3.220 7.920 1.00 23.52 C ATOM 897 C SER A 65 2.721 1.996 7.025 1.00 24.45 C ATOM 898 O SER A 65 2.435 2.043 5.828 1.00 30.42 O ATOM 899 CB SER A 65 1.818 2.831 9.204 1.00 60.41 C ATOM 900 OG SER A 65 2.641 3.019 10.341 1.00 31.23 O ATOM 0 H SER A 65 0.835 4.311 7.425 1.00 5.42 H new ATOM 0 HA SER A 65 3.545 3.597 8.177 1.00 23.52 H new ATOM 0 HB2 SER A 65 0.913 3.430 9.303 1.00 60.41 H new ATOM 0 HB3 SER A 65 1.505 1.788 9.146 1.00 60.41 H new ATOM 0 HG SER A 65 2.147 2.765 11.148 1.00 31.23 H new ATOM 905 N THR A 66 3.186 0.897 7.614 1.00 53.54 N ATOM 906 CA THR A 66 3.391 -0.340 6.871 1.00 14.04 C ATOM 907 C THR A 66 2.142 -0.725 6.089 1.00 52.25 C ATOM 908 O THR A 66 1.116 -0.047 6.165 1.00 44.23 O ATOM 909 CB THR A 66 3.774 -1.500 7.809 1.00 25.01 C ATOM 910 OG1 THR A 66 4.146 -2.649 7.039 1.00 64.32 O ATOM 911 CG2 THR A 66 2.619 -1.854 8.732 1.00 74.42 C ATOM 0 H THR A 66 3.427 0.840 8.603 1.00 53.54 H new ATOM 0 HA THR A 66 4.210 -0.159 6.175 1.00 14.04 H new ATOM 0 HB THR A 66 4.620 -1.182 8.418 1.00 25.01 H new ATOM 0 HG1 THR A 66 3.398 -3.282 7.014 1.00 64.32 H new ATOM 0 HG21 THR A 66 2.914 -2.676 9.385 1.00 74.42 H new ATOM 0 HG22 THR A 66 2.357 -0.986 9.337 1.00 74.42 H new ATOM 0 HG23 THR A 66 1.757 -2.155 8.137 1.00 74.42 H new ATOM 919 N ILE A 67 2.233 -1.817 5.337 1.00 23.42 N ATOM 920 CA ILE A 67 1.108 -2.293 4.542 1.00 24.01 C ATOM 921 C ILE A 67 -0.168 -2.353 5.374 1.00 31.35 C ATOM 922 O ILE A 67 -1.265 -2.137 4.862 1.00 53.42 O ATOM 923 CB ILE A 67 1.387 -3.688 3.950 1.00 11.42 C ATOM 924 CG1 ILE A 67 2.487 -3.605 2.891 1.00 44.43 C ATOM 925 CG2 ILE A 67 0.115 -4.275 3.358 1.00 62.15 C ATOM 926 CD1 ILE A 67 3.449 -4.772 2.925 1.00 1.41 C ATOM 0 H ILE A 67 3.074 -2.389 5.262 1.00 23.42 H new ATOM 0 HA ILE A 67 0.974 -1.581 3.728 1.00 24.01 H new ATOM 0 HB ILE A 67 1.729 -4.345 4.749 1.00 11.42 H new ATOM 0 HG12 ILE A 67 2.027 -3.553 1.904 1.00 44.43 H new ATOM 0 HG13 ILE A 67 3.046 -2.680 3.031 1.00 44.43 H new ATOM 0 HG21 ILE A 67 0.328 -5.260 2.944 1.00 62.15 H new ATOM 0 HG22 ILE A 67 -0.641 -4.365 4.138 1.00 62.15 H new ATOM 0 HG23 ILE A 67 -0.254 -3.621 2.568 1.00 62.15 H new ATOM 0 HD11 ILE A 67 4.202 -4.646 2.147 1.00 1.41 H new ATOM 0 HD12 ILE A 67 3.937 -4.813 3.899 1.00 1.41 H new ATOM 0 HD13 ILE A 67 2.902 -5.699 2.754 1.00 1.41 H new ATOM 937 N GLN A 68 -0.015 -2.645 6.663 1.00 63.34 N ATOM 938 CA GLN A 68 -1.155 -2.732 7.566 1.00 10.35 C ATOM 939 C GLN A 68 -2.009 -1.470 7.489 1.00 61.32 C ATOM 940 O GLN A 68 -3.208 -1.537 7.223 1.00 63.54 O ATOM 941 CB GLN A 68 -0.678 -2.951 9.004 1.00 42.15 C ATOM 942 CG GLN A 68 -0.117 -4.341 9.253 1.00 73.23 C ATOM 943 CD GLN A 68 -1.050 -5.209 10.074 1.00 35.11 C ATOM 944 OE1 GLN A 68 -0.728 -5.595 11.199 1.00 51.04 O ATOM 945 NE2 GLN A 68 -2.214 -5.520 9.517 1.00 73.23 N ATOM 0 H GLN A 68 0.887 -2.825 7.104 1.00 63.34 H new ATOM 0 HA GLN A 68 -1.765 -3.581 7.259 1.00 10.35 H new ATOM 0 HB2 GLN A 68 0.087 -2.212 9.241 1.00 42.15 H new ATOM 0 HB3 GLN A 68 -1.511 -2.777 9.685 1.00 42.15 H new ATOM 0 HG2 GLN A 68 0.077 -4.827 8.297 1.00 73.23 H new ATOM 0 HG3 GLN A 68 0.840 -4.255 9.767 1.00 73.23 H new ATOM 0 HE21 GLN A 68 -2.440 -5.179 8.583 1.00 73.23 H new ATOM 0 HE22 GLN A 68 -2.883 -6.100 10.023 1.00 73.23 H new ATOM 952 N GLN A 69 -1.382 -0.322 7.723 1.00 21.10 N ATOM 953 CA GLN A 69 -2.084 0.955 7.680 1.00 73.23 C ATOM 954 C GLN A 69 -2.381 1.365 6.241 1.00 71.03 C ATOM 955 O GLN A 69 -3.415 1.969 5.958 1.00 55.22 O ATOM 956 CB GLN A 69 -1.258 2.039 8.372 1.00 2.50 C ATOM 957 CG GLN A 69 -2.045 2.846 9.393 1.00 73.25 C ATOM 958 CD GLN A 69 -1.409 4.189 9.691 1.00 50.23 C ATOM 959 OE1 GLN A 69 -0.814 4.385 10.750 1.00 4.25 O ATOM 960 NE2 GLN A 69 -1.534 5.123 8.755 1.00 2.44 N ATOM 0 H GLN A 69 -0.389 -0.250 7.944 1.00 21.10 H new ATOM 0 HA GLN A 69 -3.031 0.838 8.208 1.00 73.23 H new ATOM 0 HB2 GLN A 69 -0.406 1.574 8.868 1.00 2.50 H new ATOM 0 HB3 GLN A 69 -0.857 2.716 7.617 1.00 2.50 H new ATOM 0 HG2 GLN A 69 -3.059 3.002 9.024 1.00 73.25 H new ATOM 0 HG3 GLN A 69 -2.127 2.274 10.317 1.00 73.25 H new ATOM 0 HE21 GLN A 69 -2.036 4.916 7.892 1.00 2.44 H new ATOM 0 HE22 GLN A 69 -1.128 6.047 8.899 1.00 2.44 H new ATOM 967 N ALA A 70 -1.467 1.032 5.335 1.00 21.34 N ATOM 968 CA ALA A 70 -1.632 1.364 3.926 1.00 2.12 C ATOM 969 C ALA A 70 -2.943 0.809 3.381 1.00 44.01 C ATOM 970 O ALA A 70 -3.689 1.512 2.699 1.00 75.50 O ATOM 971 CB ALA A 70 -0.456 0.835 3.119 1.00 41.12 C ATOM 0 H ALA A 70 -0.605 0.532 5.552 1.00 21.34 H new ATOM 0 HA ALA A 70 -1.662 2.450 3.835 1.00 2.12 H new ATOM 0 HB1 ALA A 70 -0.592 1.090 2.068 1.00 41.12 H new ATOM 0 HB2 ALA A 70 0.468 1.284 3.485 1.00 41.12 H new ATOM 0 HB3 ALA A 70 -0.400 -0.248 3.225 1.00 41.12 H new ATOM 977 N ALA A 71 -3.218 -0.455 3.685 1.00 14.24 N ATOM 978 CA ALA A 71 -4.440 -1.103 3.227 1.00 70.12 C ATOM 979 C ALA A 71 -5.675 -0.420 3.807 1.00 24.11 C ATOM 980 O ALA A 71 -6.654 -0.184 3.100 1.00 45.43 O ATOM 981 CB ALA A 71 -4.427 -2.578 3.599 1.00 64.25 C ATOM 0 H ALA A 71 -2.610 -1.051 4.247 1.00 14.24 H new ATOM 0 HA ALA A 71 -4.484 -1.014 2.142 1.00 70.12 H new ATOM 0 HB1 ALA A 71 -5.346 -3.049 3.251 1.00 64.25 H new ATOM 0 HB2 ALA A 71 -3.570 -3.064 3.132 1.00 64.25 H new ATOM 0 HB3 ALA A 71 -4.355 -2.680 4.682 1.00 64.25 H new ATOM 987 N ASP A 72 -5.620 -0.107 5.096 1.00 74.51 N ATOM 988 CA ASP A 72 -6.734 0.549 5.772 1.00 44.21 C ATOM 989 C ASP A 72 -7.106 1.850 5.067 1.00 21.42 C ATOM 990 O ASP A 72 -8.284 2.145 4.867 1.00 61.15 O ATOM 991 CB ASP A 72 -6.380 0.829 7.232 1.00 62.20 C ATOM 992 CG ASP A 72 -7.497 1.534 7.975 1.00 41.32 C ATOM 993 OD1 ASP A 72 -8.677 1.226 7.703 1.00 12.22 O ATOM 994 OD2 ASP A 72 -7.193 2.394 8.826 1.00 14.54 O ATOM 0 H ASP A 72 -4.816 -0.297 5.695 1.00 74.51 H new ATOM 0 HA ASP A 72 -7.593 -0.121 5.738 1.00 44.21 H new ATOM 0 HB2 ASP A 72 -6.151 -0.111 7.734 1.00 62.20 H new ATOM 0 HB3 ASP A 72 -5.478 1.440 7.273 1.00 62.20 H new ATOM 998 N VAL A 73 -6.093 2.626 4.694 1.00 73.03 N ATOM 999 CA VAL A 73 -6.314 3.895 4.012 1.00 23.15 C ATOM 1000 C VAL A 73 -7.066 3.692 2.702 1.00 50.12 C ATOM 1001 O VAL A 73 -8.114 4.299 2.477 1.00 60.43 O ATOM 1002 CB VAL A 73 -4.983 4.614 3.720 1.00 24.14 C ATOM 1003 CG1 VAL A 73 -5.230 5.915 2.973 1.00 51.14 C ATOM 1004 CG2 VAL A 73 -4.221 4.869 5.012 1.00 11.23 C ATOM 0 H VAL A 73 -5.112 2.398 4.853 1.00 73.03 H new ATOM 0 HA VAL A 73 -6.914 4.513 4.680 1.00 23.15 H new ATOM 0 HB VAL A 73 -4.374 3.969 3.086 1.00 24.14 H new ATOM 0 HG11 VAL A 73 -4.278 6.408 2.776 1.00 51.14 H new ATOM 0 HG12 VAL A 73 -5.731 5.703 2.028 1.00 51.14 H new ATOM 0 HG13 VAL A 73 -5.858 6.568 3.578 1.00 51.14 H new ATOM 0 HG21 VAL A 73 -3.283 5.377 4.787 1.00 11.23 H new ATOM 0 HG22 VAL A 73 -4.823 5.493 5.672 1.00 11.23 H new ATOM 0 HG23 VAL A 73 -4.010 3.919 5.503 1.00 11.23 H new ATOM 1014 N ILE A 74 -6.525 2.836 1.842 1.00 73.45 N ATOM 1015 CA ILE A 74 -7.148 2.552 0.554 1.00 30.34 C ATOM 1016 C ILE A 74 -8.609 2.150 0.727 1.00 24.05 C ATOM 1017 O ILE A 74 -9.470 2.558 -0.051 1.00 73.01 O ATOM 1018 CB ILE A 74 -6.403 1.431 -0.195 1.00 73.10 C ATOM 1019 CG1 ILE A 74 -5.033 1.923 -0.663 1.00 0.02 C ATOM 1020 CG2 ILE A 74 -7.229 0.945 -1.376 1.00 61.22 C ATOM 1021 CD1 ILE A 74 -3.884 1.075 -0.163 1.00 23.13 C ATOM 0 H ILE A 74 -5.658 2.327 2.013 1.00 73.45 H new ATOM 0 HA ILE A 74 -7.094 3.469 -0.033 1.00 30.34 H new ATOM 0 HB ILE A 74 -6.253 0.595 0.488 1.00 73.10 H new ATOM 0 HG12 ILE A 74 -5.015 1.940 -1.753 1.00 0.02 H new ATOM 0 HG13 ILE A 74 -4.890 2.950 -0.326 1.00 0.02 H new ATOM 0 HG21 ILE A 74 -6.690 0.153 -1.896 1.00 61.22 H new ATOM 0 HG22 ILE A 74 -8.184 0.560 -1.018 1.00 61.22 H new ATOM 0 HG23 ILE A 74 -7.406 1.774 -2.062 1.00 61.22 H new ATOM 0 HD11 ILE A 74 -2.943 1.482 -0.533 1.00 23.13 H new ATOM 0 HD12 ILE A 74 -3.877 1.078 0.927 1.00 23.13 H new ATOM 0 HD13 ILE A 74 -4.003 0.053 -0.522 1.00 23.13 H new ATOM 1032 N GLU A 75 -8.879 1.349 1.753 1.00 55.43 N ATOM 1033 CA GLU A 75 -10.237 0.893 2.027 1.00 13.34 C ATOM 1034 C GLU A 75 -11.195 2.076 2.145 1.00 62.14 C ATOM 1035 O GLU A 75 -12.330 2.018 1.675 1.00 53.54 O ATOM 1036 CB GLU A 75 -10.271 0.066 3.314 1.00 11.31 C ATOM 1037 CG GLU A 75 -10.346 -1.432 3.073 1.00 33.12 C ATOM 1038 CD GLU A 75 -11.373 -2.113 3.957 1.00 61.44 C ATOM 1039 OE1 GLU A 75 -12.561 -2.145 3.571 1.00 3.03 O ATOM 1040 OE2 GLU A 75 -10.989 -2.617 5.032 1.00 0.03 O ATOM 0 H GLU A 75 -8.177 1.003 2.407 1.00 55.43 H new ATOM 0 HA GLU A 75 -10.558 0.269 1.193 1.00 13.34 H new ATOM 0 HB2 GLU A 75 -9.380 0.287 3.901 1.00 11.31 H new ATOM 0 HB3 GLU A 75 -11.130 0.373 3.911 1.00 11.31 H new ATOM 0 HG2 GLU A 75 -10.592 -1.616 2.027 1.00 33.12 H new ATOM 0 HG3 GLU A 75 -9.366 -1.875 3.253 1.00 33.12 H new ATOM 1045 N GLY A 76 -10.727 3.148 2.775 1.00 13.41 N ATOM 1046 CA GLY A 76 -11.553 4.330 2.944 1.00 41.14 C ATOM 1047 C GLY A 76 -11.760 5.083 1.645 1.00 52.41 C ATOM 1048 O GLY A 76 -12.733 5.824 1.496 1.00 62.30 O ATOM 0 H GLY A 76 -9.790 3.220 3.172 1.00 13.41 H new ATOM 0 HA2 GLY A 76 -12.522 4.038 3.349 1.00 41.14 H new ATOM 0 HA3 GLY A 76 -11.089 4.993 3.674 1.00 41.14 H new ATOM 1052 N LEU A 77 -10.842 4.897 0.703 1.00 62.13 N ATOM 1053 CA LEU A 77 -10.927 5.567 -0.590 1.00 63.31 C ATOM 1054 C LEU A 77 -11.744 4.742 -1.578 1.00 71.44 C ATOM 1055 O LEU A 77 -12.164 5.240 -2.624 1.00 13.21 O ATOM 1056 CB LEU A 77 -9.525 5.814 -1.152 1.00 63.22 C ATOM 1057 CG LEU A 77 -8.740 6.962 -0.517 1.00 1.13 C ATOM 1058 CD1 LEU A 77 -7.307 6.973 -1.025 1.00 3.04 C ATOM 1059 CD2 LEU A 77 -9.419 8.294 -0.800 1.00 40.04 C ATOM 0 H LEU A 77 -10.031 4.288 0.810 1.00 62.13 H new ATOM 0 HA LEU A 77 -11.427 6.524 -0.443 1.00 63.31 H new ATOM 0 HB2 LEU A 77 -8.944 4.898 -1.041 1.00 63.22 H new ATOM 0 HB3 LEU A 77 -9.613 6.008 -2.221 1.00 63.22 H new ATOM 0 HG LEU A 77 -8.720 6.810 0.562 1.00 1.13 H new ATOM 0 HD11 LEU A 77 -6.763 7.797 -0.562 1.00 3.04 H new ATOM 0 HD12 LEU A 77 -6.823 6.030 -0.770 1.00 3.04 H new ATOM 0 HD13 LEU A 77 -7.306 7.100 -2.108 1.00 3.04 H new ATOM 0 HD21 LEU A 77 -8.846 9.099 -0.340 1.00 40.04 H new ATOM 0 HD22 LEU A 77 -9.471 8.454 -1.877 1.00 40.04 H new ATOM 0 HD23 LEU A 77 -10.427 8.284 -0.386 1.00 40.04 H new ATOM 1070 N LEU A 78 -11.970 3.477 -1.240 1.00 22.12 N ATOM 1071 CA LEU A 78 -12.741 2.581 -2.096 1.00 5.52 C ATOM 1072 C LEU A 78 -14.212 2.576 -1.695 1.00 51.03 C ATOM 1073 O LEU A 78 -15.076 2.186 -2.478 1.00 75.33 O ATOM 1074 CB LEU A 78 -12.175 1.162 -2.024 1.00 31.32 C ATOM 1075 CG LEU A 78 -10.962 0.876 -2.909 1.00 41.13 C ATOM 1076 CD1 LEU A 78 -10.184 -0.318 -2.380 1.00 63.55 C ATOM 1077 CD2 LEU A 78 -11.397 0.637 -4.348 1.00 71.12 C ATOM 0 H LEU A 78 -11.630 3.048 -0.379 1.00 22.12 H new ATOM 0 HA LEU A 78 -12.665 2.944 -3.121 1.00 5.52 H new ATOM 0 HB2 LEU A 78 -11.902 0.954 -0.990 1.00 31.32 H new ATOM 0 HB3 LEU A 78 -12.967 0.463 -2.291 1.00 31.32 H new ATOM 0 HG LEU A 78 -10.307 1.747 -2.888 1.00 41.13 H new ATOM 0 HD11 LEU A 78 -9.324 -0.506 -3.023 1.00 63.55 H new ATOM 0 HD12 LEU A 78 -9.840 -0.109 -1.367 1.00 63.55 H new ATOM 0 HD13 LEU A 78 -10.829 -1.197 -2.370 1.00 63.55 H new ATOM 0 HD21 LEU A 78 -10.521 0.435 -4.964 1.00 71.12 H new ATOM 0 HD22 LEU A 78 -12.073 -0.217 -4.387 1.00 71.12 H new ATOM 0 HD23 LEU A 78 -11.909 1.522 -4.725 1.00 71.12 H new ATOM 1088 N GLU A 79 -14.488 3.014 -0.470 1.00 44.12 N ATOM 1089 CA GLU A 79 -15.855 3.062 0.034 1.00 22.54 C ATOM 1090 C GLU A 79 -16.778 3.763 -0.960 1.00 21.51 C ATOM 1091 O GLU A 79 -17.896 3.313 -1.209 1.00 52.02 O ATOM 1092 CB GLU A 79 -15.900 3.781 1.384 1.00 24.21 C ATOM 1093 CG GLU A 79 -14.814 3.334 2.348 1.00 32.55 C ATOM 1094 CD GLU A 79 -15.061 3.810 3.767 1.00 51.44 C ATOM 1095 OE1 GLU A 79 -15.655 4.897 3.931 1.00 73.30 O ATOM 1096 OE2 GLU A 79 -14.661 3.098 4.710 1.00 34.40 O ATOM 0 H GLU A 79 -13.783 3.340 0.191 1.00 44.12 H new ATOM 0 HA GLU A 79 -16.202 2.037 0.165 1.00 22.54 H new ATOM 0 HB2 GLU A 79 -15.807 4.854 1.218 1.00 24.21 H new ATOM 0 HB3 GLU A 79 -16.874 3.613 1.844 1.00 24.21 H new ATOM 0 HG2 GLU A 79 -14.751 2.246 2.340 1.00 32.55 H new ATOM 0 HG3 GLU A 79 -13.851 3.711 2.005 1.00 32.55 H new ATOM 1101 N LYS A 80 -16.300 4.867 -1.524 1.00 35.24 N ATOM 1102 CA LYS A 80 -17.079 5.631 -2.490 1.00 13.15 C ATOM 1103 C LYS A 80 -16.530 5.445 -3.901 1.00 1.14 C ATOM 1104 O LYS A 80 -17.128 5.900 -4.876 1.00 33.23 O ATOM 1105 CB LYS A 80 -17.073 7.116 -2.121 1.00 33.21 C ATOM 1106 CG LYS A 80 -15.815 7.557 -1.391 1.00 70.20 C ATOM 1107 CD LYS A 80 -14.619 7.612 -2.326 1.00 42.15 C ATOM 1108 CE LYS A 80 -13.316 7.759 -1.557 1.00 0.02 C ATOM 1109 NZ LYS A 80 -13.101 9.158 -1.092 1.00 40.32 N ATOM 0 H LYS A 80 -15.376 5.252 -1.328 1.00 35.24 H new ATOM 0 HA LYS A 80 -18.104 5.261 -2.466 1.00 13.15 H new ATOM 0 HB2 LYS A 80 -17.182 7.708 -3.030 1.00 33.21 H new ATOM 0 HB3 LYS A 80 -17.940 7.330 -1.496 1.00 33.21 H new ATOM 0 HG2 LYS A 80 -15.976 8.539 -0.947 1.00 70.20 H new ATOM 0 HG3 LYS A 80 -15.607 6.867 -0.573 1.00 70.20 H new ATOM 0 HD2 LYS A 80 -14.586 6.705 -2.930 1.00 42.15 H new ATOM 0 HD3 LYS A 80 -14.733 8.449 -3.015 1.00 42.15 H new ATOM 0 HE2 LYS A 80 -13.324 7.088 -0.698 1.00 0.02 H new ATOM 0 HE3 LYS A 80 -12.483 7.455 -2.192 1.00 0.02 H new ATOM 0 HZ1 LYS A 80 -12.414 9.163 -0.311 1.00 40.32 H new ATOM 0 HZ2 LYS A 80 -12.736 9.733 -1.878 1.00 40.32 H new ATOM 0 HZ3 LYS A 80 -14.003 9.557 -0.762 1.00 40.32 H new ATOM 1119 N LYS A 81 -15.388 4.773 -4.002 1.00 75.43 N ATOM 1120 CA LYS A 81 -14.759 4.524 -5.294 1.00 74.43 C ATOM 1121 C LYS A 81 -14.888 3.055 -5.687 1.00 12.15 C ATOM 1122 O LYS A 81 -14.165 2.200 -5.177 1.00 3.01 O ATOM 1123 CB LYS A 81 -13.283 4.923 -5.250 1.00 21.31 C ATOM 1124 CG LYS A 81 -12.628 4.981 -6.619 1.00 54.35 C ATOM 1125 CD LYS A 81 -11.932 3.675 -6.961 1.00 31.12 C ATOM 1126 CE LYS A 81 -12.179 3.272 -8.407 1.00 2.22 C ATOM 1127 NZ LYS A 81 -12.772 1.909 -8.509 1.00 5.12 N ATOM 0 H LYS A 81 -14.879 4.391 -3.205 1.00 75.43 H new ATOM 0 HA LYS A 81 -15.271 5.129 -6.043 1.00 74.43 H new ATOM 0 HB2 LYS A 81 -13.193 5.898 -4.772 1.00 21.31 H new ATOM 0 HB3 LYS A 81 -12.741 4.211 -4.627 1.00 21.31 H new ATOM 0 HG2 LYS A 81 -13.382 5.201 -7.375 1.00 54.35 H new ATOM 0 HG3 LYS A 81 -11.905 5.796 -6.643 1.00 54.35 H new ATOM 0 HD2 LYS A 81 -10.861 3.777 -6.789 1.00 31.12 H new ATOM 0 HD3 LYS A 81 -12.288 2.887 -6.297 1.00 31.12 H new ATOM 0 HE2 LYS A 81 -12.846 3.995 -8.877 1.00 2.22 H new ATOM 0 HE3 LYS A 81 -11.239 3.301 -8.958 1.00 2.22 H new ATOM 0 HZ1 LYS A 81 -12.192 1.324 -9.144 1.00 5.12 H new ATOM 0 HZ2 LYS A 81 -12.801 1.472 -7.566 1.00 5.12 H new ATOM 0 HZ3 LYS A 81 -13.738 1.978 -8.889 1.00 5.12 H new ATOM 1137 N ALA A 82 -15.813 2.770 -6.598 1.00 11.42 N ATOM 1138 CA ALA A 82 -16.034 1.406 -7.062 1.00 62.31 C ATOM 1139 C ALA A 82 -17.037 1.372 -8.210 1.00 61.21 C ATOM 1140 O ALA A 82 -17.869 2.270 -8.346 1.00 62.12 O ATOM 1141 CB ALA A 82 -16.512 0.529 -5.914 1.00 1.22 C ATOM 0 H ALA A 82 -16.421 3.466 -7.029 1.00 11.42 H new ATOM 0 HA ALA A 82 -15.086 1.016 -7.432 1.00 62.31 H new ATOM 0 HB1 ALA A 82 -16.673 -0.487 -6.275 1.00 1.22 H new ATOM 0 HB2 ALA A 82 -15.759 0.519 -5.126 1.00 1.22 H new ATOM 0 HB3 ALA A 82 -17.447 0.926 -5.518 1.00 1.22 H new TER 1147 ALA A 82