USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 625 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 180:sc= 0.719 USER MOD Set 1.2: A 29 SER OG : rot 73:sc= 0.818 USER MOD Single : A 1 ALA N :NH3+ -108:sc= 0.0967 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -168:sc=-0.00154 (180deg=-0.06) USER MOD Single : A 5 THR OG1 : rot -150:sc= -0.904 USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= -0.0452 (180deg=-0.312) USER MOD Single : A 10 SER OG : rot -61:sc= 0.0805 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -147:sc= -0.341 (180deg=-1.78!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -156:sc= -0.0553 (180deg=-0.329) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0472 USER MOD Single : A 46 MET CE :methyl 148:sc= -0.182 (180deg=-1.1) USER MOD Single : A 47 ASN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 55 ASN : amide:sc= 0.473 X(o=0.47,f=-0.023) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -125:sc= 0.137 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.689 USER MOD Single : A 68 GLN : amide:sc= -4.93! K(o=-4.9!,f=-1.3) USER MOD Single : A 69 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 147:sc= -0.328 (180deg=-1.36!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.417 -3.138 9.288 1.00 0.00 N ATOM 2 CA ALA A 1 -6.902 -4.005 8.236 1.00 71.14 C ATOM 3 C ALA A 1 -6.521 -5.374 8.789 1.00 41.32 C ATOM 4 O ALA A 1 -6.467 -5.572 10.003 1.00 21.03 O ATOM 5 CB ALA A 1 -5.705 -3.357 7.556 1.00 20.20 C ATOM 0 H1 ALA A 1 -8.443 -3.018 9.168 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.225 -3.566 10.216 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.951 -2.210 9.232 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.692 -4.147 7.499 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.331 -4.016 6.772 1.00 20.20 H new ATOM 0 HB2 ALA A 1 -6.007 -2.406 7.117 1.00 20.20 H new ATOM 0 HB3 ALA A 1 -4.919 -3.184 8.291 1.00 20.20 H new ATOM 11 N LYS A 2 -6.259 -6.318 7.891 1.00 21.42 N ATOM 12 CA LYS A 2 -5.882 -7.669 8.289 1.00 0.11 C ATOM 13 C LYS A 2 -4.453 -7.985 7.857 1.00 10.32 C ATOM 14 O LYS A 2 -3.866 -7.270 7.045 1.00 14.12 O ATOM 15 CB LYS A 2 -6.848 -8.690 7.681 1.00 4.33 C ATOM 16 CG LYS A 2 -7.140 -8.448 6.211 1.00 54.24 C ATOM 17 CD LYS A 2 -8.470 -7.737 6.017 1.00 5.20 C ATOM 18 CE LYS A 2 -9.629 -8.721 5.985 1.00 51.21 C ATOM 19 NZ LYS A 2 -10.915 -8.076 6.368 1.00 23.03 N ATOM 0 H LYS A 2 -6.301 -6.172 6.882 1.00 21.42 H new ATOM 0 HA LYS A 2 -5.936 -7.729 9.376 1.00 0.11 H new ATOM 0 HB2 LYS A 2 -6.430 -9.690 7.800 1.00 4.33 H new ATOM 0 HB3 LYS A 2 -7.785 -8.668 8.238 1.00 4.33 H new ATOM 0 HG2 LYS A 2 -6.340 -7.851 5.773 1.00 54.24 H new ATOM 0 HG3 LYS A 2 -7.154 -9.400 5.680 1.00 54.24 H new ATOM 0 HD2 LYS A 2 -8.622 -7.021 6.824 1.00 5.20 H new ATOM 0 HD3 LYS A 2 -8.448 -7.169 5.087 1.00 5.20 H new ATOM 0 HE2 LYS A 2 -9.719 -9.144 4.984 1.00 51.21 H new ATOM 0 HE3 LYS A 2 -9.422 -9.549 6.663 1.00 51.21 H new ATOM 0 HZ1 LYS A 2 -11.680 -8.780 6.334 1.00 23.03 H new ATOM 0 HZ2 LYS A 2 -10.838 -7.695 7.332 1.00 23.03 H new ATOM 0 HZ3 LYS A 2 -11.126 -7.303 5.706 1.00 23.03 H new ATOM 33 N LYS A 3 -3.899 -9.061 8.404 1.00 22.54 N ATOM 34 CA LYS A 3 -2.540 -9.475 8.075 1.00 51.33 C ATOM 35 C LYS A 3 -2.437 -9.885 6.609 1.00 53.21 C ATOM 36 O LYS A 3 -1.376 -9.769 5.997 1.00 12.12 O ATOM 37 CB LYS A 3 -2.106 -10.636 8.972 1.00 2.22 C ATOM 38 CG LYS A 3 -3.030 -11.839 8.900 1.00 75.23 C ATOM 39 CD LYS A 3 -3.664 -12.137 10.248 1.00 62.41 C ATOM 40 CE LYS A 3 -2.796 -13.071 11.078 1.00 62.23 C ATOM 41 NZ LYS A 3 -2.863 -14.475 10.583 1.00 4.00 N ATOM 0 H LYS A 3 -4.371 -9.663 9.078 1.00 22.54 H new ATOM 0 HA LYS A 3 -1.877 -8.626 8.245 1.00 51.33 H new ATOM 0 HB2 LYS A 3 -1.099 -10.945 8.691 1.00 2.22 H new ATOM 0 HB3 LYS A 3 -2.056 -10.288 10.004 1.00 2.22 H new ATOM 0 HG2 LYS A 3 -3.811 -11.655 8.162 1.00 75.23 H new ATOM 0 HG3 LYS A 3 -2.469 -12.710 8.560 1.00 75.23 H new ATOM 0 HD2 LYS A 3 -3.821 -11.205 10.792 1.00 62.41 H new ATOM 0 HD3 LYS A 3 -4.645 -12.588 10.098 1.00 62.41 H new ATOM 0 HE2 LYS A 3 -1.763 -12.725 11.052 1.00 62.23 H new ATOM 0 HE3 LYS A 3 -3.118 -13.037 12.119 1.00 62.23 H new ATOM 0 HZ1 LYS A 3 -2.430 -15.111 11.283 1.00 4.00 H new ATOM 0 HZ2 LYS A 3 -3.857 -14.745 10.438 1.00 4.00 H new ATOM 0 HZ3 LYS A 3 -2.349 -14.550 9.682 1.00 4.00 H new ATOM 55 N GLU A 4 -3.546 -10.363 6.054 1.00 50.45 N ATOM 56 CA GLU A 4 -3.578 -10.790 4.660 1.00 74.15 C ATOM 57 C GLU A 4 -3.467 -9.592 3.721 1.00 11.13 C ATOM 58 O GLU A 4 -2.628 -9.570 2.820 1.00 13.51 O ATOM 59 CB GLU A 4 -4.868 -11.560 4.369 1.00 63.52 C ATOM 60 CG GLU A 4 -4.998 -12.850 5.162 1.00 53.22 C ATOM 61 CD GLU A 4 -4.268 -14.010 4.514 1.00 43.31 C ATOM 62 OE1 GLU A 4 -3.368 -13.755 3.686 1.00 52.31 O ATOM 63 OE2 GLU A 4 -4.596 -15.172 4.833 1.00 4.12 O ATOM 0 H GLU A 4 -4.433 -10.464 6.547 1.00 50.45 H new ATOM 0 HA GLU A 4 -2.724 -11.446 4.488 1.00 74.15 H new ATOM 0 HB2 GLU A 4 -5.722 -10.919 4.591 1.00 63.52 H new ATOM 0 HB3 GLU A 4 -4.911 -11.792 3.305 1.00 63.52 H new ATOM 0 HG2 GLU A 4 -4.606 -12.695 6.167 1.00 53.22 H new ATOM 0 HG3 GLU A 4 -6.053 -13.103 5.267 1.00 53.22 H new ATOM 70 N THR A 5 -4.319 -8.595 3.940 1.00 53.03 N ATOM 71 CA THR A 5 -4.318 -7.393 3.114 1.00 63.32 C ATOM 72 C THR A 5 -2.933 -6.760 3.067 1.00 71.21 C ATOM 73 O THR A 5 -2.448 -6.385 1.998 1.00 71.41 O ATOM 74 CB THR A 5 -5.328 -6.354 3.634 1.00 21.23 C ATOM 75 OG1 THR A 5 -6.649 -6.908 3.631 1.00 60.25 O ATOM 76 CG2 THR A 5 -5.299 -5.095 2.780 1.00 44.14 C ATOM 0 H THR A 5 -5.019 -8.596 4.682 1.00 53.03 H new ATOM 0 HA THR A 5 -4.608 -7.699 2.109 1.00 63.32 H new ATOM 0 HB THR A 5 -5.048 -6.089 4.654 1.00 21.23 H new ATOM 0 HG1 THR A 5 -7.303 -6.192 3.490 1.00 60.25 H new ATOM 0 HG21 THR A 5 -6.021 -4.376 3.167 1.00 44.14 H new ATOM 0 HG22 THR A 5 -4.301 -4.658 2.809 1.00 44.14 H new ATOM 0 HG23 THR A 5 -5.555 -5.347 1.751 1.00 44.14 H new ATOM 84 N ILE A 6 -2.300 -6.644 4.229 1.00 61.00 N ATOM 85 CA ILE A 6 -0.969 -6.057 4.319 1.00 72.03 C ATOM 86 C ILE A 6 0.012 -6.775 3.398 1.00 70.10 C ATOM 87 O ILE A 6 0.797 -6.140 2.694 1.00 72.33 O ATOM 88 CB ILE A 6 -0.429 -6.103 5.761 1.00 50.32 C ATOM 89 CG1 ILE A 6 -1.376 -5.360 6.706 1.00 0.54 C ATOM 90 CG2 ILE A 6 0.968 -5.504 5.823 1.00 41.31 C ATOM 91 CD1 ILE A 6 -1.175 -5.715 8.162 1.00 35.34 C ATOM 0 H ILE A 6 -2.688 -6.949 5.122 1.00 61.00 H new ATOM 0 HA ILE A 6 -1.062 -5.017 4.008 1.00 72.03 H new ATOM 0 HB ILE A 6 -0.371 -7.144 6.079 1.00 50.32 H new ATOM 0 HG12 ILE A 6 -1.235 -4.287 6.579 1.00 0.54 H new ATOM 0 HG13 ILE A 6 -2.405 -5.582 6.425 1.00 0.54 H new ATOM 0 HG21 ILE A 6 1.336 -5.544 6.848 1.00 41.31 H new ATOM 0 HG22 ILE A 6 1.636 -6.072 5.175 1.00 41.31 H new ATOM 0 HG23 ILE A 6 0.934 -4.467 5.490 1.00 41.31 H new ATOM 0 HD11 ILE A 6 -1.879 -5.152 8.774 1.00 35.34 H new ATOM 0 HD12 ILE A 6 -1.345 -6.782 8.303 1.00 35.34 H new ATOM 0 HD13 ILE A 6 -0.156 -5.467 8.460 1.00 35.34 H new ATOM 103 N ASP A 7 -0.041 -8.103 3.407 1.00 13.15 N ATOM 104 CA ASP A 7 0.840 -8.908 2.570 1.00 45.21 C ATOM 105 C ASP A 7 0.621 -8.598 1.093 1.00 71.24 C ATOM 106 O ASP A 7 1.557 -8.637 0.293 1.00 33.11 O ATOM 107 CB ASP A 7 0.607 -10.397 2.832 1.00 51.24 C ATOM 108 CG ASP A 7 1.441 -11.282 1.926 1.00 4.11 C ATOM 109 OD1 ASP A 7 2.678 -11.116 1.912 1.00 45.43 O ATOM 110 OD2 ASP A 7 0.856 -12.140 1.231 1.00 3.45 O ATOM 0 H ASP A 7 -0.685 -8.644 3.985 1.00 13.15 H new ATOM 0 HA ASP A 7 1.870 -8.659 2.825 1.00 45.21 H new ATOM 0 HB2 ASP A 7 0.844 -10.621 3.872 1.00 51.24 H new ATOM 0 HB3 ASP A 7 -0.449 -10.627 2.688 1.00 51.24 H new ATOM 115 N LYS A 8 -0.622 -8.291 0.736 1.00 65.32 N ATOM 116 CA LYS A 8 -0.965 -7.974 -0.644 1.00 53.13 C ATOM 117 C LYS A 8 -0.332 -6.654 -1.074 1.00 74.35 C ATOM 118 O LYS A 8 0.384 -6.594 -2.074 1.00 64.30 O ATOM 119 CB LYS A 8 -2.485 -7.900 -0.809 1.00 32.34 C ATOM 120 CG LYS A 8 -3.224 -9.061 -0.166 1.00 1.10 C ATOM 121 CD LYS A 8 -4.479 -9.421 -0.943 1.00 31.24 C ATOM 122 CE LYS A 8 -4.145 -10.135 -2.243 1.00 65.24 C ATOM 123 NZ LYS A 8 -3.545 -11.477 -2.000 1.00 53.42 N ATOM 0 H LYS A 8 -1.408 -8.255 1.385 1.00 65.32 H new ATOM 0 HA LYS A 8 -0.574 -8.768 -1.280 1.00 53.13 H new ATOM 0 HB2 LYS A 8 -2.844 -6.967 -0.375 1.00 32.34 H new ATOM 0 HB3 LYS A 8 -2.726 -7.871 -1.872 1.00 32.34 H new ATOM 0 HG2 LYS A 8 -2.566 -9.928 -0.114 1.00 1.10 H new ATOM 0 HG3 LYS A 8 -3.491 -8.801 0.858 1.00 1.10 H new ATOM 0 HD2 LYS A 8 -5.117 -10.058 -0.330 1.00 31.24 H new ATOM 0 HD3 LYS A 8 -5.046 -8.516 -1.159 1.00 31.24 H new ATOM 0 HE2 LYS A 8 -5.050 -10.245 -2.840 1.00 65.24 H new ATOM 0 HE3 LYS A 8 -3.452 -9.527 -2.824 1.00 65.24 H new ATOM 0 HZ1 LYS A 8 -3.611 -12.049 -2.866 1.00 53.42 H new ATOM 0 HZ2 LYS A 8 -2.546 -11.367 -1.733 1.00 53.42 H new ATOM 0 HZ3 LYS A 8 -4.058 -11.953 -1.231 1.00 53.42 H new ATOM 137 N VAL A 9 -0.599 -5.600 -0.311 1.00 12.33 N ATOM 138 CA VAL A 9 -0.053 -4.281 -0.611 1.00 41.04 C ATOM 139 C VAL A 9 1.471 -4.301 -0.591 1.00 1.33 C ATOM 140 O VAL A 9 2.121 -3.826 -1.522 1.00 62.05 O ATOM 141 CB VAL A 9 -0.555 -3.224 0.390 1.00 31.33 C ATOM 142 CG1 VAL A 9 -0.130 -1.831 -0.046 1.00 34.12 C ATOM 143 CG2 VAL A 9 -2.067 -3.308 0.538 1.00 12.40 C ATOM 0 H VAL A 9 -1.190 -5.633 0.520 1.00 12.33 H new ATOM 0 HA VAL A 9 -0.398 -4.015 -1.610 1.00 41.04 H new ATOM 0 HB VAL A 9 -0.106 -3.426 1.362 1.00 31.33 H new ATOM 0 HG11 VAL A 9 -0.494 -1.098 0.674 1.00 34.12 H new ATOM 0 HG12 VAL A 9 0.958 -1.781 -0.096 1.00 34.12 H new ATOM 0 HG13 VAL A 9 -0.549 -1.614 -1.029 1.00 34.12 H new ATOM 0 HG21 VAL A 9 -2.405 -2.554 1.249 1.00 12.40 H new ATOM 0 HG22 VAL A 9 -2.538 -3.132 -0.429 1.00 12.40 H new ATOM 0 HG23 VAL A 9 -2.343 -4.298 0.900 1.00 12.40 H new ATOM 153 N SER A 10 2.037 -4.853 0.478 1.00 52.40 N ATOM 154 CA SER A 10 3.485 -4.931 0.622 1.00 25.22 C ATOM 155 C SER A 10 4.121 -5.564 -0.613 1.00 73.01 C ATOM 156 O SER A 10 5.200 -5.161 -1.045 1.00 3.43 O ATOM 157 CB SER A 10 3.852 -5.739 1.869 1.00 42.13 C ATOM 158 OG SER A 10 4.050 -7.107 1.551 1.00 14.55 O ATOM 0 H SER A 10 1.514 -5.253 1.257 1.00 52.40 H new ATOM 0 HA SER A 10 3.870 -3.917 0.728 1.00 25.22 H new ATOM 0 HB2 SER A 10 4.759 -5.332 2.316 1.00 42.13 H new ATOM 0 HB3 SER A 10 3.060 -5.646 2.612 1.00 42.13 H new ATOM 0 HG SER A 10 3.220 -7.482 1.189 1.00 14.55 H new ATOM 164 N ASP A 11 3.443 -6.559 -1.175 1.00 14.32 N ATOM 165 CA ASP A 11 3.938 -7.247 -2.361 1.00 22.02 C ATOM 166 C ASP A 11 3.999 -6.300 -3.555 1.00 2.31 C ATOM 167 O ASP A 11 4.993 -6.263 -4.281 1.00 61.01 O ATOM 168 CB ASP A 11 3.047 -8.445 -2.691 1.00 73.42 C ATOM 169 CG ASP A 11 3.845 -9.657 -3.131 1.00 52.13 C ATOM 170 OD1 ASP A 11 5.019 -9.484 -3.520 1.00 43.02 O ATOM 171 OD2 ASP A 11 3.295 -10.778 -3.090 1.00 25.13 O ATOM 0 H ASP A 11 2.549 -6.907 -0.828 1.00 14.32 H new ATOM 0 HA ASP A 11 4.947 -7.601 -2.149 1.00 22.02 H new ATOM 0 HB2 ASP A 11 2.452 -8.704 -1.815 1.00 73.42 H new ATOM 0 HB3 ASP A 11 2.348 -8.168 -3.480 1.00 73.42 H new ATOM 176 N ILE A 12 2.930 -5.534 -3.752 1.00 21.10 N ATOM 177 CA ILE A 12 2.863 -4.587 -4.857 1.00 13.32 C ATOM 178 C ILE A 12 3.835 -3.431 -4.649 1.00 4.31 C ATOM 179 O ILE A 12 4.462 -2.954 -5.597 1.00 22.42 O ATOM 180 CB ILE A 12 1.440 -4.022 -5.028 1.00 44.31 C ATOM 181 CG1 ILE A 12 0.446 -5.156 -5.287 1.00 41.35 C ATOM 182 CG2 ILE A 12 1.405 -3.010 -6.163 1.00 65.01 C ATOM 183 CD1 ILE A 12 -0.858 -4.999 -4.539 1.00 32.31 C ATOM 0 H ILE A 12 2.099 -5.552 -3.160 1.00 21.10 H new ATOM 0 HA ILE A 12 3.139 -5.133 -5.759 1.00 13.32 H new ATOM 0 HB ILE A 12 1.153 -3.515 -4.107 1.00 44.31 H new ATOM 0 HG12 ILE A 12 0.238 -5.209 -6.356 1.00 41.35 H new ATOM 0 HG13 ILE A 12 0.906 -6.103 -5.004 1.00 41.35 H new ATOM 0 HG21 ILE A 12 0.393 -2.620 -6.271 1.00 65.01 H new ATOM 0 HG22 ILE A 12 2.088 -2.190 -5.941 1.00 65.01 H new ATOM 0 HG23 ILE A 12 1.709 -3.494 -7.091 1.00 65.01 H new ATOM 0 HD11 ILE A 12 -1.514 -5.839 -4.770 1.00 32.31 H new ATOM 0 HD12 ILE A 12 -0.662 -4.976 -3.467 1.00 32.31 H new ATOM 0 HD13 ILE A 12 -1.340 -4.069 -4.839 1.00 32.31 H new ATOM 195 N VAL A 13 3.958 -2.984 -3.403 1.00 14.40 N ATOM 196 CA VAL A 13 4.856 -1.885 -3.070 1.00 53.34 C ATOM 197 C VAL A 13 6.314 -2.305 -3.210 1.00 4.11 C ATOM 198 O VAL A 13 7.073 -1.710 -3.975 1.00 25.13 O ATOM 199 CB VAL A 13 4.614 -1.377 -1.636 1.00 51.23 C ATOM 200 CG1 VAL A 13 5.442 -0.130 -1.364 1.00 64.23 C ATOM 201 CG2 VAL A 13 3.135 -1.104 -1.410 1.00 63.12 C ATOM 0 H VAL A 13 3.447 -3.366 -2.608 1.00 14.40 H new ATOM 0 HA VAL A 13 4.644 -1.079 -3.773 1.00 53.34 H new ATOM 0 HB VAL A 13 4.928 -2.152 -0.937 1.00 51.23 H new ATOM 0 HG11 VAL A 13 5.258 0.214 -0.346 1.00 64.23 H new ATOM 0 HG12 VAL A 13 6.500 -0.363 -1.482 1.00 64.23 H new ATOM 0 HG13 VAL A 13 5.162 0.653 -2.068 1.00 64.23 H new ATOM 0 HG21 VAL A 13 2.983 -0.746 -0.392 1.00 63.12 H new ATOM 0 HG22 VAL A 13 2.793 -0.347 -2.116 1.00 63.12 H new ATOM 0 HG23 VAL A 13 2.568 -2.023 -1.560 1.00 63.12 H new ATOM 211 N LYS A 14 6.700 -3.336 -2.466 1.00 63.42 N ATOM 212 CA LYS A 14 8.068 -3.841 -2.507 1.00 53.34 C ATOM 213 C LYS A 14 8.484 -4.170 -3.937 1.00 51.40 C ATOM 214 O LYS A 14 9.654 -4.040 -4.298 1.00 33.21 O ATOM 215 CB LYS A 14 8.201 -5.085 -1.627 1.00 2.44 C ATOM 216 CG LYS A 14 7.574 -6.328 -2.232 1.00 61.42 C ATOM 217 CD LYS A 14 7.349 -7.406 -1.184 1.00 34.32 C ATOM 218 CE LYS A 14 8.657 -7.848 -0.549 1.00 4.12 C ATOM 219 NZ LYS A 14 8.492 -9.088 0.259 1.00 63.11 N ATOM 0 H LYS A 14 6.084 -3.839 -1.827 1.00 63.42 H new ATOM 0 HA LYS A 14 8.728 -3.062 -2.126 1.00 53.34 H new ATOM 0 HB2 LYS A 14 9.258 -5.276 -1.440 1.00 2.44 H new ATOM 0 HB3 LYS A 14 7.737 -4.888 -0.661 1.00 2.44 H new ATOM 0 HG2 LYS A 14 6.623 -6.067 -2.697 1.00 61.42 H new ATOM 0 HG3 LYS A 14 8.219 -6.715 -3.021 1.00 61.42 H new ATOM 0 HD2 LYS A 14 6.678 -7.030 -0.412 1.00 34.32 H new ATOM 0 HD3 LYS A 14 6.858 -8.264 -1.643 1.00 34.32 H new ATOM 0 HE2 LYS A 14 9.399 -8.019 -1.329 1.00 4.12 H new ATOM 0 HE3 LYS A 14 9.040 -7.049 0.086 1.00 4.12 H new ATOM 0 HZ1 LYS A 14 9.407 -9.356 0.675 1.00 63.11 H new ATOM 0 HZ2 LYS A 14 7.803 -8.918 1.019 1.00 63.11 H new ATOM 0 HZ3 LYS A 14 8.151 -9.858 -0.352 1.00 63.11 H new ATOM 233 N GLU A 15 7.519 -4.594 -4.747 1.00 32.42 N ATOM 234 CA GLU A 15 7.787 -4.941 -6.138 1.00 20.10 C ATOM 235 C GLU A 15 8.140 -3.698 -6.950 1.00 31.41 C ATOM 236 O GLU A 15 8.883 -3.773 -7.929 1.00 13.41 O ATOM 237 CB GLU A 15 6.573 -5.639 -6.756 1.00 32.23 C ATOM 238 CG GLU A 15 6.568 -7.145 -6.551 1.00 11.15 C ATOM 239 CD GLU A 15 5.181 -7.745 -6.675 1.00 0.04 C ATOM 240 OE1 GLU A 15 4.211 -6.971 -6.817 1.00 21.31 O ATOM 241 OE2 GLU A 15 5.065 -8.987 -6.628 1.00 72.20 O ATOM 0 H GLU A 15 6.545 -4.705 -4.464 1.00 32.42 H new ATOM 0 HA GLU A 15 8.638 -5.622 -6.158 1.00 20.10 H new ATOM 0 HB2 GLU A 15 5.664 -5.219 -6.325 1.00 32.23 H new ATOM 0 HB3 GLU A 15 6.547 -5.426 -7.825 1.00 32.23 H new ATOM 0 HG2 GLU A 15 7.228 -7.610 -7.283 1.00 11.15 H new ATOM 0 HG3 GLU A 15 6.973 -7.375 -5.566 1.00 11.15 H new ATOM 248 N LYS A 16 7.602 -2.555 -6.536 1.00 65.12 N ATOM 249 CA LYS A 16 7.861 -1.295 -7.222 1.00 52.11 C ATOM 250 C LYS A 16 9.187 -0.692 -6.771 1.00 40.41 C ATOM 251 O LYS A 16 9.797 0.100 -7.492 1.00 72.32 O ATOM 252 CB LYS A 16 6.722 -0.306 -6.961 1.00 3.13 C ATOM 253 CG LYS A 16 5.376 -0.777 -7.482 1.00 52.35 C ATOM 254 CD LYS A 16 5.161 -0.361 -8.928 1.00 14.14 C ATOM 255 CE LYS A 16 4.938 1.139 -9.049 1.00 71.31 C ATOM 256 NZ LYS A 16 5.609 1.704 -10.253 1.00 34.03 N ATOM 0 H LYS A 16 6.984 -2.476 -5.729 1.00 65.12 H new ATOM 0 HA LYS A 16 7.920 -1.497 -8.291 1.00 52.11 H new ATOM 0 HB2 LYS A 16 6.645 -0.128 -5.888 1.00 3.13 H new ATOM 0 HB3 LYS A 16 6.968 0.649 -7.425 1.00 3.13 H new ATOM 0 HG2 LYS A 16 5.313 -1.862 -7.401 1.00 52.35 H new ATOM 0 HG3 LYS A 16 4.580 -0.365 -6.862 1.00 52.35 H new ATOM 0 HD2 LYS A 16 6.027 -0.650 -9.524 1.00 14.14 H new ATOM 0 HD3 LYS A 16 4.301 -0.892 -9.337 1.00 14.14 H new ATOM 0 HE2 LYS A 16 3.869 1.344 -9.099 1.00 71.31 H new ATOM 0 HE3 LYS A 16 5.316 1.636 -8.156 1.00 71.31 H new ATOM 0 HZ1 LYS A 16 5.928 2.673 -10.050 1.00 34.03 H new ATOM 0 HZ2 LYS A 16 6.429 1.114 -10.502 1.00 34.03 H new ATOM 0 HZ3 LYS A 16 4.939 1.720 -11.048 1.00 34.03 H new ATOM 270 N LEU A 17 9.628 -1.070 -5.578 1.00 32.25 N ATOM 271 CA LEU A 17 10.884 -0.567 -5.031 1.00 61.33 C ATOM 272 C LEU A 17 12.018 -1.558 -5.270 1.00 42.24 C ATOM 273 O LEU A 17 13.191 -1.231 -5.089 1.00 74.10 O ATOM 274 CB LEU A 17 10.738 -0.294 -3.533 1.00 15.04 C ATOM 275 CG LEU A 17 9.601 0.646 -3.130 1.00 3.32 C ATOM 276 CD1 LEU A 17 9.652 0.937 -1.638 1.00 62.14 C ATOM 277 CD2 LEU A 17 9.670 1.940 -3.929 1.00 61.33 C ATOM 0 H LEU A 17 9.135 -1.724 -4.969 1.00 32.25 H new ATOM 0 HA LEU A 17 11.126 0.365 -5.542 1.00 61.33 H new ATOM 0 HB2 LEU A 17 10.593 -1.246 -3.023 1.00 15.04 H new ATOM 0 HB3 LEU A 17 11.676 0.124 -3.167 1.00 15.04 H new ATOM 0 HG LEU A 17 8.654 0.155 -3.352 1.00 3.32 H new ATOM 0 HD11 LEU A 17 8.835 1.607 -1.370 1.00 62.14 H new ATOM 0 HD12 LEU A 17 9.554 0.005 -1.082 1.00 62.14 H new ATOM 0 HD13 LEU A 17 10.604 1.408 -1.391 1.00 62.14 H new ATOM 0 HD21 LEU A 17 8.853 2.597 -3.629 1.00 61.33 H new ATOM 0 HD22 LEU A 17 10.622 2.435 -3.739 1.00 61.33 H new ATOM 0 HD23 LEU A 17 9.584 1.716 -4.992 1.00 61.33 H new ATOM 289 N ALA A 18 11.661 -2.771 -5.680 1.00 73.13 N ATOM 290 CA ALA A 18 12.648 -3.809 -5.949 1.00 22.34 C ATOM 291 C ALA A 18 11.986 -5.067 -6.501 1.00 52.35 C ATOM 292 O ALA A 18 10.779 -5.089 -6.747 1.00 22.31 O ATOM 293 CB ALA A 18 13.429 -4.134 -4.684 1.00 0.54 C ATOM 0 H ALA A 18 10.694 -3.059 -5.833 1.00 73.13 H new ATOM 0 HA ALA A 18 13.338 -3.432 -6.704 1.00 22.34 H new ATOM 0 HB1 ALA A 18 14.163 -4.911 -4.899 1.00 0.54 H new ATOM 0 HB2 ALA A 18 13.941 -3.238 -4.332 1.00 0.54 H new ATOM 0 HB3 ALA A 18 12.743 -4.486 -3.913 1.00 0.54 H new ATOM 299 N LEU A 19 12.783 -6.112 -6.695 1.00 43.14 N ATOM 300 CA LEU A 19 12.275 -7.375 -7.221 1.00 14.32 C ATOM 301 C LEU A 19 11.490 -8.131 -6.154 1.00 33.53 C ATOM 302 O LEU A 19 10.657 -8.981 -6.467 1.00 71.22 O ATOM 303 CB LEU A 19 13.429 -8.239 -7.730 1.00 72.13 C ATOM 304 CG LEU A 19 14.428 -7.546 -8.656 1.00 61.13 C ATOM 305 CD1 LEU A 19 15.666 -8.411 -8.849 1.00 33.44 C ATOM 306 CD2 LEU A 19 13.783 -7.230 -9.998 1.00 22.53 C ATOM 0 H LEU A 19 13.783 -6.110 -6.496 1.00 43.14 H new ATOM 0 HA LEU A 19 11.604 -7.152 -8.050 1.00 14.32 H new ATOM 0 HB2 LEU A 19 13.972 -8.629 -6.869 1.00 72.13 H new ATOM 0 HB3 LEU A 19 13.010 -9.096 -8.257 1.00 72.13 H new ATOM 0 HG LEU A 19 14.733 -6.608 -8.192 1.00 61.13 H new ATOM 0 HD11 LEU A 19 16.366 -7.902 -9.511 1.00 33.44 H new ATOM 0 HD12 LEU A 19 16.141 -8.586 -7.884 1.00 33.44 H new ATOM 0 HD13 LEU A 19 15.378 -9.365 -9.290 1.00 33.44 H new ATOM 0 HD21 LEU A 19 14.510 -6.737 -10.644 1.00 22.53 H new ATOM 0 HD22 LEU A 19 13.449 -8.155 -10.468 1.00 22.53 H new ATOM 0 HD23 LEU A 19 12.928 -6.571 -9.845 1.00 22.53 H new ATOM 318 N GLY A 20 11.759 -7.813 -4.891 1.00 33.11 N ATOM 319 CA GLY A 20 11.068 -8.471 -3.797 1.00 51.23 C ATOM 320 C GLY A 20 11.789 -9.715 -3.319 1.00 45.11 C ATOM 321 O GLY A 20 11.269 -10.466 -2.495 1.00 54.34 O ATOM 0 H GLY A 20 12.443 -7.112 -4.606 1.00 33.11 H new ATOM 0 HA2 GLY A 20 10.964 -7.774 -2.966 1.00 51.23 H new ATOM 0 HA3 GLY A 20 10.061 -8.739 -4.117 1.00 51.23 H new ATOM 325 N ALA A 21 12.993 -9.935 -3.839 1.00 61.15 N ATOM 326 CA ALA A 21 13.788 -11.097 -3.461 1.00 31.12 C ATOM 327 C ALA A 21 14.667 -10.791 -2.253 1.00 53.43 C ATOM 328 O ALA A 21 14.532 -11.415 -1.200 1.00 73.13 O ATOM 329 CB ALA A 21 14.640 -11.558 -4.634 1.00 24.40 C ATOM 0 H ALA A 21 13.439 -9.324 -4.523 1.00 61.15 H new ATOM 0 HA ALA A 21 13.105 -11.900 -3.186 1.00 31.12 H new ATOM 0 HB1 ALA A 21 15.228 -12.426 -4.337 1.00 24.40 H new ATOM 0 HB2 ALA A 21 13.994 -11.826 -5.470 1.00 24.40 H new ATOM 0 HB3 ALA A 21 15.309 -10.752 -4.936 1.00 24.40 H new ATOM 335 N ASP A 22 15.568 -9.828 -2.412 1.00 3.50 N ATOM 336 CA ASP A 22 16.470 -9.438 -1.334 1.00 75.44 C ATOM 337 C ASP A 22 15.908 -8.253 -0.557 1.00 32.02 C ATOM 338 O ASP A 22 16.613 -7.622 0.229 1.00 23.52 O ATOM 339 CB ASP A 22 17.849 -9.089 -1.896 1.00 12.34 C ATOM 340 CG ASP A 22 18.519 -10.273 -2.564 1.00 4.51 C ATOM 341 OD1 ASP A 22 17.993 -11.399 -2.445 1.00 32.44 O ATOM 342 OD2 ASP A 22 19.571 -10.074 -3.208 1.00 15.44 O ATOM 0 H ASP A 22 15.693 -9.303 -3.277 1.00 3.50 H new ATOM 0 HA ASP A 22 16.568 -10.282 -0.651 1.00 75.44 H new ATOM 0 HB2 ASP A 22 17.749 -8.277 -2.617 1.00 12.34 H new ATOM 0 HB3 ASP A 22 18.485 -8.723 -1.090 1.00 12.34 H new ATOM 347 N VAL A 23 14.632 -7.954 -0.784 1.00 43.20 N ATOM 348 CA VAL A 23 13.975 -6.844 -0.105 1.00 51.32 C ATOM 349 C VAL A 23 12.764 -7.325 0.689 1.00 2.45 C ATOM 350 O VAL A 23 11.925 -8.064 0.176 1.00 51.45 O ATOM 351 CB VAL A 23 13.523 -5.763 -1.105 1.00 71.31 C ATOM 352 CG1 VAL A 23 12.823 -4.624 -0.379 1.00 55.43 C ATOM 353 CG2 VAL A 23 14.710 -5.247 -1.904 1.00 70.34 C ATOM 0 H VAL A 23 14.034 -8.465 -1.433 1.00 43.20 H new ATOM 0 HA VAL A 23 14.706 -6.413 0.579 1.00 51.32 H new ATOM 0 HB VAL A 23 12.813 -6.210 -1.801 1.00 71.31 H new ATOM 0 HG11 VAL A 23 12.511 -3.870 -1.101 1.00 55.43 H new ATOM 0 HG12 VAL A 23 11.948 -5.009 0.145 1.00 55.43 H new ATOM 0 HG13 VAL A 23 13.508 -4.176 0.341 1.00 55.43 H new ATOM 0 HG21 VAL A 23 14.372 -4.484 -2.606 1.00 70.34 H new ATOM 0 HG22 VAL A 23 15.446 -4.816 -1.225 1.00 70.34 H new ATOM 0 HG23 VAL A 23 15.164 -6.071 -2.455 1.00 70.34 H new ATOM 363 N VAL A 24 12.681 -6.899 1.945 1.00 42.20 N ATOM 364 CA VAL A 24 11.573 -7.283 2.811 1.00 72.32 C ATOM 365 C VAL A 24 10.958 -6.066 3.491 1.00 75.05 C ATOM 366 O VAL A 24 11.649 -5.303 4.167 1.00 20.52 O ATOM 367 CB VAL A 24 12.025 -8.287 3.889 1.00 1.42 C ATOM 368 CG1 VAL A 24 10.834 -8.766 4.706 1.00 53.53 C ATOM 369 CG2 VAL A 24 12.753 -9.461 3.252 1.00 12.32 C ATOM 0 H VAL A 24 13.368 -6.288 2.386 1.00 42.20 H new ATOM 0 HA VAL A 24 10.824 -7.756 2.175 1.00 72.32 H new ATOM 0 HB VAL A 24 12.718 -7.783 4.563 1.00 1.42 H new ATOM 0 HG11 VAL A 24 11.173 -9.474 5.462 1.00 53.53 H new ATOM 0 HG12 VAL A 24 10.361 -7.914 5.193 1.00 53.53 H new ATOM 0 HG13 VAL A 24 10.114 -9.254 4.049 1.00 53.53 H new ATOM 0 HG21 VAL A 24 13.065 -10.160 4.028 1.00 12.32 H new ATOM 0 HG22 VAL A 24 12.086 -9.967 2.554 1.00 12.32 H new ATOM 0 HG23 VAL A 24 13.630 -9.098 2.717 1.00 12.32 H new ATOM 379 N VAL A 25 9.653 -5.888 3.307 1.00 32.13 N ATOM 380 CA VAL A 25 8.943 -4.764 3.904 1.00 13.34 C ATOM 381 C VAL A 25 7.919 -5.241 4.928 1.00 15.55 C ATOM 382 O VAL A 25 7.291 -6.285 4.754 1.00 32.41 O ATOM 383 CB VAL A 25 8.228 -3.919 2.833 1.00 33.31 C ATOM 384 CG1 VAL A 25 7.285 -4.786 2.012 1.00 43.42 C ATOM 385 CG2 VAL A 25 7.475 -2.765 3.480 1.00 70.04 C ATOM 0 H VAL A 25 9.067 -6.509 2.749 1.00 32.13 H new ATOM 0 HA VAL A 25 9.690 -4.147 4.403 1.00 13.34 H new ATOM 0 HB VAL A 25 8.979 -3.503 2.162 1.00 33.31 H new ATOM 0 HG11 VAL A 25 6.788 -4.173 1.260 1.00 43.42 H new ATOM 0 HG12 VAL A 25 7.853 -5.575 1.519 1.00 43.42 H new ATOM 0 HG13 VAL A 25 6.537 -5.232 2.668 1.00 43.42 H new ATOM 0 HG21 VAL A 25 6.976 -2.178 2.709 1.00 70.04 H new ATOM 0 HG22 VAL A 25 6.732 -3.159 4.174 1.00 70.04 H new ATOM 0 HG23 VAL A 25 8.177 -2.130 4.021 1.00 70.04 H new ATOM 395 N THR A 26 7.754 -4.468 5.997 1.00 4.41 N ATOM 396 CA THR A 26 6.807 -4.811 7.050 1.00 12.13 C ATOM 397 C THR A 26 5.825 -3.672 7.299 1.00 41.50 C ATOM 398 O THR A 26 5.982 -2.576 6.761 1.00 22.42 O ATOM 399 CB THR A 26 7.530 -5.148 8.368 1.00 51.04 C ATOM 400 OG1 THR A 26 8.750 -4.405 8.461 1.00 24.13 O ATOM 401 CG2 THR A 26 7.828 -6.637 8.454 1.00 31.45 C ATOM 0 H THR A 26 8.265 -3.599 6.156 1.00 4.41 H new ATOM 0 HA THR A 26 6.260 -5.690 6.709 1.00 12.13 H new ATOM 0 HB THR A 26 6.876 -4.876 9.197 1.00 51.04 H new ATOM 0 HG1 THR A 26 9.203 -4.623 9.302 1.00 24.13 H new ATOM 0 HG21 THR A 26 8.339 -6.852 9.393 1.00 31.45 H new ATOM 0 HG22 THR A 26 6.894 -7.198 8.412 1.00 31.45 H new ATOM 0 HG23 THR A 26 8.465 -6.929 7.619 1.00 31.45 H new ATOM 409 N ALA A 27 4.813 -3.938 8.118 1.00 3.24 N ATOM 410 CA ALA A 27 3.808 -2.933 8.441 1.00 34.41 C ATOM 411 C ALA A 27 4.439 -1.721 9.118 1.00 23.32 C ATOM 412 O ALA A 27 3.914 -0.610 9.039 1.00 24.12 O ATOM 413 CB ALA A 27 2.727 -3.533 9.329 1.00 65.42 C ATOM 0 H ALA A 27 4.667 -4.841 8.570 1.00 3.24 H new ATOM 0 HA ALA A 27 3.353 -2.599 7.509 1.00 34.41 H new ATOM 0 HB1 ALA A 27 1.983 -2.771 9.562 1.00 65.42 H new ATOM 0 HB2 ALA A 27 2.247 -4.361 8.808 1.00 65.42 H new ATOM 0 HB3 ALA A 27 3.176 -3.897 10.253 1.00 65.42 H new ATOM 419 N ASP A 28 5.566 -1.944 9.785 1.00 1.34 N ATOM 420 CA ASP A 28 6.269 -0.869 10.477 1.00 44.31 C ATOM 421 C ASP A 28 7.178 -0.108 9.517 1.00 41.22 C ATOM 422 O ASP A 28 7.569 1.028 9.785 1.00 15.14 O ATOM 423 CB ASP A 28 7.091 -1.433 11.637 1.00 4.42 C ATOM 424 CG ASP A 28 7.464 -0.371 12.652 1.00 4.10 C ATOM 425 OD1 ASP A 28 6.872 0.728 12.608 1.00 62.01 O ATOM 426 OD2 ASP A 28 8.349 -0.638 13.492 1.00 61.12 O ATOM 0 H ASP A 28 6.012 -2.858 9.861 1.00 1.34 H new ATOM 0 HA ASP A 28 5.525 -0.176 10.871 1.00 44.31 H new ATOM 0 HB2 ASP A 28 6.523 -2.221 12.132 1.00 4.42 H new ATOM 0 HB3 ASP A 28 7.999 -1.892 11.246 1.00 4.42 H new ATOM 431 N SER A 29 7.511 -0.742 8.397 1.00 64.12 N ATOM 432 CA SER A 29 8.377 -0.126 7.399 1.00 50.11 C ATOM 433 C SER A 29 7.646 0.990 6.659 1.00 63.10 C ATOM 434 O SER A 29 6.601 0.764 6.050 1.00 3.14 O ATOM 435 CB SER A 29 8.869 -1.177 6.402 1.00 71.02 C ATOM 436 OG SER A 29 9.646 -2.170 7.048 1.00 11.23 O ATOM 0 H SER A 29 7.194 -1.682 8.158 1.00 64.12 H new ATOM 0 HA SER A 29 9.235 0.305 7.915 1.00 50.11 H new ATOM 0 HB2 SER A 29 8.016 -1.643 5.909 1.00 71.02 H new ATOM 0 HB3 SER A 29 9.462 -0.695 5.625 1.00 71.02 H new ATOM 0 HG SER A 29 9.061 -2.748 7.581 1.00 11.23 H new ATOM 442 N GLU A 30 8.204 2.196 6.719 1.00 62.30 N ATOM 443 CA GLU A 30 7.605 3.347 6.055 1.00 2.33 C ATOM 444 C GLU A 30 8.067 3.441 4.604 1.00 45.10 C ATOM 445 O GLU A 30 9.229 3.178 4.293 1.00 4.43 O ATOM 446 CB GLU A 30 7.963 4.635 6.800 1.00 72.03 C ATOM 447 CG GLU A 30 7.815 4.527 8.308 1.00 1.20 C ATOM 448 CD GLU A 30 7.797 5.882 8.991 1.00 32.42 C ATOM 449 OE1 GLU A 30 8.857 6.540 9.032 1.00 63.04 O ATOM 450 OE2 GLU A 30 6.722 6.282 9.484 1.00 35.45 O ATOM 0 H GLU A 30 9.069 2.400 7.220 1.00 62.30 H new ATOM 0 HA GLU A 30 6.523 3.217 6.065 1.00 2.33 H new ATOM 0 HB2 GLU A 30 8.991 4.908 6.563 1.00 72.03 H new ATOM 0 HB3 GLU A 30 7.327 5.443 6.438 1.00 72.03 H new ATOM 0 HG2 GLU A 30 6.893 3.994 8.542 1.00 1.20 H new ATOM 0 HG3 GLU A 30 8.637 3.933 8.708 1.00 1.20 H new ATOM 457 N PHE A 31 7.148 3.816 3.720 1.00 5.14 N ATOM 458 CA PHE A 31 7.461 3.943 2.301 1.00 52.42 C ATOM 459 C PHE A 31 8.676 4.842 2.089 1.00 70.33 C ATOM 460 O PHE A 31 9.416 4.684 1.119 1.00 61.22 O ATOM 461 CB PHE A 31 6.257 4.505 1.542 1.00 41.51 C ATOM 462 CG PHE A 31 5.037 3.634 1.621 1.00 10.12 C ATOM 463 CD1 PHE A 31 5.011 2.397 0.996 1.00 13.20 C ATOM 464 CD2 PHE A 31 3.917 4.050 2.322 1.00 52.41 C ATOM 465 CE1 PHE A 31 3.889 1.594 1.067 1.00 52.32 C ATOM 466 CE2 PHE A 31 2.792 3.250 2.396 1.00 32.04 C ATOM 467 CZ PHE A 31 2.778 2.020 1.768 1.00 34.14 C ATOM 0 H PHE A 31 6.182 4.037 3.961 1.00 5.14 H new ATOM 0 HA PHE A 31 7.695 2.951 1.915 1.00 52.42 H new ATOM 0 HB2 PHE A 31 6.016 5.491 1.939 1.00 41.51 H new ATOM 0 HB3 PHE A 31 6.529 4.641 0.495 1.00 41.51 H new ATOM 0 HD1 PHE A 31 5.877 2.057 0.448 1.00 13.20 H new ATOM 0 HD2 PHE A 31 3.923 5.010 2.816 1.00 52.41 H new ATOM 0 HE1 PHE A 31 3.881 0.633 0.574 1.00 52.32 H new ATOM 0 HE2 PHE A 31 1.925 3.587 2.945 1.00 32.04 H new ATOM 0 HZ PHE A 31 1.901 1.393 1.825 1.00 34.14 H new ATOM 477 N SER A 32 8.874 5.784 3.005 1.00 62.30 N ATOM 478 CA SER A 32 9.996 6.711 2.917 1.00 12.14 C ATOM 479 C SER A 32 11.299 6.026 3.319 1.00 53.52 C ATOM 480 O SER A 32 12.361 6.314 2.766 1.00 22.04 O ATOM 481 CB SER A 32 9.750 7.928 3.810 1.00 22.14 C ATOM 482 OG SER A 32 8.815 8.814 3.220 1.00 14.03 O ATOM 0 H SER A 32 8.272 5.926 3.816 1.00 62.30 H new ATOM 0 HA SER A 32 10.083 7.041 1.882 1.00 12.14 H new ATOM 0 HB2 SER A 32 9.382 7.601 4.782 1.00 22.14 H new ATOM 0 HB3 SER A 32 10.690 8.451 3.985 1.00 22.14 H new ATOM 0 HG SER A 32 8.674 9.582 3.812 1.00 14.03 H new ATOM 488 N LYS A 33 11.210 5.118 4.284 1.00 54.02 N ATOM 489 CA LYS A 33 12.379 4.389 4.760 1.00 24.44 C ATOM 490 C LYS A 33 12.817 3.339 3.744 1.00 61.32 C ATOM 491 O LYS A 33 14.007 3.053 3.604 1.00 31.14 O ATOM 492 CB LYS A 33 12.077 3.721 6.103 1.00 73.34 C ATOM 493 CG LYS A 33 12.551 4.523 7.303 1.00 41.11 C ATOM 494 CD LYS A 33 13.979 4.170 7.680 1.00 64.02 C ATOM 495 CE LYS A 33 14.023 3.068 8.727 1.00 64.54 C ATOM 496 NZ LYS A 33 13.499 3.529 10.042 1.00 40.41 N ATOM 0 H LYS A 33 10.339 4.869 4.753 1.00 54.02 H new ATOM 0 HA LYS A 33 13.192 5.103 4.891 1.00 24.44 H new ATOM 0 HB2 LYS A 33 11.002 3.561 6.186 1.00 73.34 H new ATOM 0 HB3 LYS A 33 12.548 2.738 6.124 1.00 73.34 H new ATOM 0 HG2 LYS A 33 12.485 5.588 7.079 1.00 41.11 H new ATOM 0 HG3 LYS A 33 11.893 4.334 8.151 1.00 41.11 H new ATOM 0 HD2 LYS A 33 14.523 3.850 6.791 1.00 64.02 H new ATOM 0 HD3 LYS A 33 14.485 5.057 8.062 1.00 64.02 H new ATOM 0 HE2 LYS A 33 13.438 2.216 8.382 1.00 64.54 H new ATOM 0 HE3 LYS A 33 15.050 2.722 8.847 1.00 64.54 H new ATOM 0 HZ1 LYS A 33 13.899 2.940 10.801 1.00 40.41 H new ATOM 0 HZ2 LYS A 33 13.770 4.521 10.195 1.00 40.41 H new ATOM 0 HZ3 LYS A 33 12.462 3.448 10.050 1.00 40.41 H new ATOM 510 N LEU A 34 11.849 2.768 3.036 1.00 33.32 N ATOM 511 CA LEU A 34 12.134 1.750 2.031 1.00 61.20 C ATOM 512 C LEU A 34 12.903 2.346 0.856 1.00 73.44 C ATOM 513 O LEU A 34 13.560 1.627 0.103 1.00 13.43 O ATOM 514 CB LEU A 34 10.834 1.114 1.537 1.00 1.51 C ATOM 515 CG LEU A 34 9.987 0.408 2.596 1.00 60.21 C ATOM 516 CD1 LEU A 34 8.792 -0.279 1.953 1.00 43.45 C ATOM 517 CD2 LEU A 34 10.829 -0.596 3.370 1.00 13.12 C ATOM 0 H LEU A 34 10.859 2.993 3.139 1.00 33.32 H new ATOM 0 HA LEU A 34 12.753 0.981 2.493 1.00 61.20 H new ATOM 0 HB2 LEU A 34 10.226 1.891 1.073 1.00 1.51 H new ATOM 0 HB3 LEU A 34 11.079 0.393 0.757 1.00 1.51 H new ATOM 0 HG LEU A 34 9.616 1.157 3.296 1.00 60.21 H new ATOM 0 HD11 LEU A 34 8.201 -0.776 2.722 1.00 43.45 H new ATOM 0 HD12 LEU A 34 8.176 0.463 1.445 1.00 43.45 H new ATOM 0 HD13 LEU A 34 9.142 -1.017 1.231 1.00 43.45 H new ATOM 0 HD21 LEU A 34 10.210 -1.089 4.119 1.00 13.12 H new ATOM 0 HD22 LEU A 34 11.230 -1.341 2.683 1.00 13.12 H new ATOM 0 HD23 LEU A 34 11.652 -0.078 3.863 1.00 13.12 H new ATOM 529 N GLY A 35 12.815 3.664 0.705 1.00 71.31 N ATOM 530 CA GLY A 35 13.507 4.334 -0.380 1.00 70.23 C ATOM 531 C GLY A 35 12.553 4.949 -1.384 1.00 63.32 C ATOM 532 O GLY A 35 12.979 5.630 -2.317 1.00 55.15 O ATOM 0 H GLY A 35 12.277 4.279 1.315 1.00 71.31 H new ATOM 0 HA2 GLY A 35 14.150 5.113 0.030 1.00 70.23 H new ATOM 0 HA3 GLY A 35 14.155 3.620 -0.889 1.00 70.23 H new ATOM 536 N ALA A 36 11.260 4.707 -1.195 1.00 63.00 N ATOM 537 CA ALA A 36 10.244 5.243 -2.092 1.00 31.23 C ATOM 538 C ALA A 36 10.028 6.733 -1.850 1.00 2.40 C ATOM 539 O ALA A 36 10.033 7.193 -0.707 1.00 54.52 O ATOM 540 CB ALA A 36 8.936 4.484 -1.920 1.00 53.53 C ATOM 0 H ALA A 36 10.892 4.143 -0.429 1.00 63.00 H new ATOM 0 HA ALA A 36 10.595 5.115 -3.116 1.00 31.23 H new ATOM 0 HB1 ALA A 36 8.186 4.894 -2.596 1.00 53.53 H new ATOM 0 HB2 ALA A 36 9.094 3.430 -2.150 1.00 53.53 H new ATOM 0 HB3 ALA A 36 8.590 4.583 -0.891 1.00 53.53 H new ATOM 546 N ASP A 37 9.840 7.482 -2.930 1.00 40.52 N ATOM 547 CA ASP A 37 9.623 8.921 -2.836 1.00 4.01 C ATOM 548 C ASP A 37 8.181 9.277 -3.185 1.00 25.24 C ATOM 549 O ASP A 37 7.362 8.398 -3.452 1.00 74.42 O ATOM 550 CB ASP A 37 10.584 9.666 -3.763 1.00 72.52 C ATOM 551 CG ASP A 37 10.869 8.899 -5.039 1.00 72.21 C ATOM 552 OD1 ASP A 37 9.917 8.655 -5.810 1.00 73.32 O ATOM 553 OD2 ASP A 37 12.043 8.543 -5.268 1.00 21.13 O ATOM 0 H ASP A 37 9.833 7.116 -3.882 1.00 40.52 H new ATOM 0 HA ASP A 37 9.815 9.225 -1.807 1.00 4.01 H new ATOM 0 HB2 ASP A 37 10.161 10.639 -4.014 1.00 72.52 H new ATOM 0 HB3 ASP A 37 11.521 9.852 -3.237 1.00 72.52 H new ATOM 558 N SER A 38 7.879 10.571 -3.179 1.00 52.40 N ATOM 559 CA SER A 38 6.534 11.043 -3.489 1.00 45.42 C ATOM 560 C SER A 38 6.072 10.512 -4.843 1.00 74.23 C ATOM 561 O SER A 38 4.880 10.287 -5.061 1.00 11.01 O ATOM 562 CB SER A 38 6.495 12.573 -3.488 1.00 63.24 C ATOM 563 OG SER A 38 5.897 13.067 -2.303 1.00 23.42 O ATOM 0 H SER A 38 8.547 11.311 -2.963 1.00 52.40 H new ATOM 0 HA SER A 38 5.857 10.669 -2.721 1.00 45.42 H new ATOM 0 HB2 SER A 38 7.508 12.966 -3.579 1.00 63.24 H new ATOM 0 HB3 SER A 38 5.937 12.926 -4.355 1.00 63.24 H new ATOM 0 HG SER A 38 5.886 14.047 -2.326 1.00 23.42 H new ATOM 569 N LEU A 39 7.022 10.314 -5.750 1.00 10.03 N ATOM 570 CA LEU A 39 6.714 9.809 -7.083 1.00 1.40 C ATOM 571 C LEU A 39 6.396 8.318 -7.042 1.00 33.42 C ATOM 572 O LEU A 39 5.657 7.807 -7.883 1.00 10.11 O ATOM 573 CB LEU A 39 7.887 10.065 -8.031 1.00 60.01 C ATOM 574 CG LEU A 39 8.379 11.510 -8.116 1.00 12.34 C ATOM 575 CD1 LEU A 39 9.778 11.565 -8.709 1.00 73.01 C ATOM 576 CD2 LEU A 39 7.415 12.354 -8.938 1.00 3.23 C ATOM 0 H LEU A 39 8.012 10.496 -5.586 1.00 10.03 H new ATOM 0 HA LEU A 39 5.835 10.339 -7.450 1.00 1.40 H new ATOM 0 HB2 LEU A 39 8.722 9.436 -7.722 1.00 60.01 H new ATOM 0 HB3 LEU A 39 7.597 9.742 -9.031 1.00 60.01 H new ATOM 0 HG LEU A 39 8.419 11.919 -7.107 1.00 12.34 H new ATOM 0 HD11 LEU A 39 10.111 12.602 -8.761 1.00 73.01 H new ATOM 0 HD12 LEU A 39 10.462 10.996 -8.080 1.00 73.01 H new ATOM 0 HD13 LEU A 39 9.765 11.137 -9.711 1.00 73.01 H new ATOM 0 HD21 LEU A 39 7.781 13.380 -8.988 1.00 3.23 H new ATOM 0 HD22 LEU A 39 7.342 11.945 -9.946 1.00 3.23 H new ATOM 0 HD23 LEU A 39 6.431 12.342 -8.470 1.00 3.23 H new ATOM 588 N ASP A 40 6.955 7.627 -6.055 1.00 4.32 N ATOM 589 CA ASP A 40 6.728 6.195 -5.900 1.00 5.12 C ATOM 590 C ASP A 40 5.405 5.928 -5.191 1.00 22.45 C ATOM 591 O ASP A 40 4.568 5.168 -5.678 1.00 33.21 O ATOM 592 CB ASP A 40 7.878 5.556 -5.119 1.00 63.03 C ATOM 593 CG ASP A 40 9.095 5.300 -5.987 1.00 62.11 C ATOM 594 OD1 ASP A 40 8.917 5.033 -7.195 1.00 22.14 O ATOM 595 OD2 ASP A 40 10.224 5.366 -5.459 1.00 5.44 O ATOM 0 H ASP A 40 7.569 8.035 -5.350 1.00 4.32 H new ATOM 0 HA ASP A 40 6.683 5.750 -6.894 1.00 5.12 H new ATOM 0 HB2 ASP A 40 8.157 6.207 -4.290 1.00 63.03 H new ATOM 0 HB3 ASP A 40 7.540 4.615 -4.685 1.00 63.03 H new ATOM 600 N THR A 41 5.222 6.557 -4.034 1.00 22.24 N ATOM 601 CA THR A 41 4.003 6.386 -3.254 1.00 73.32 C ATOM 602 C THR A 41 2.765 6.537 -4.131 1.00 71.02 C ATOM 603 O THR A 41 1.882 5.679 -4.130 1.00 13.22 O ATOM 604 CB THR A 41 3.926 7.402 -2.099 1.00 5.23 C ATOM 605 OG1 THR A 41 5.242 7.686 -1.609 1.00 71.23 O ATOM 606 CG2 THR A 41 3.062 6.869 -0.966 1.00 73.25 C ATOM 0 H THR A 41 5.904 7.190 -3.616 1.00 22.24 H new ATOM 0 HA THR A 41 4.032 5.378 -2.839 1.00 73.32 H new ATOM 0 HB THR A 41 3.474 8.318 -2.479 1.00 5.23 H new ATOM 0 HG1 THR A 41 5.185 8.334 -0.876 1.00 71.23 H new ATOM 0 HG21 THR A 41 3.023 7.604 -0.162 1.00 73.25 H new ATOM 0 HG22 THR A 41 2.054 6.680 -1.335 1.00 73.25 H new ATOM 0 HG23 THR A 41 3.490 5.940 -0.588 1.00 73.25 H new ATOM 614 N VAL A 42 2.706 7.633 -4.880 1.00 42.54 N ATOM 615 CA VAL A 42 1.577 7.896 -5.764 1.00 13.41 C ATOM 616 C VAL A 42 1.310 6.709 -6.684 1.00 23.32 C ATOM 617 O VAL A 42 0.162 6.410 -7.009 1.00 54.33 O ATOM 618 CB VAL A 42 1.816 9.152 -6.623 1.00 0.20 C ATOM 619 CG1 VAL A 42 3.089 9.004 -7.443 1.00 13.31 C ATOM 620 CG2 VAL A 42 0.620 9.417 -7.525 1.00 33.05 C ATOM 0 H VAL A 42 3.428 8.354 -4.892 1.00 42.54 H new ATOM 0 HA VAL A 42 0.709 8.061 -5.126 1.00 13.41 H new ATOM 0 HB VAL A 42 1.937 10.007 -5.958 1.00 0.20 H new ATOM 0 HG11 VAL A 42 3.241 9.901 -8.043 1.00 13.31 H new ATOM 0 HG12 VAL A 42 3.939 8.866 -6.774 1.00 13.31 H new ATOM 0 HG13 VAL A 42 3.000 8.139 -8.100 1.00 13.31 H new ATOM 0 HG21 VAL A 42 0.807 10.308 -8.124 1.00 33.05 H new ATOM 0 HG22 VAL A 42 0.465 8.563 -8.184 1.00 33.05 H new ATOM 0 HG23 VAL A 42 -0.270 9.571 -6.914 1.00 33.05 H new ATOM 630 N GLU A 43 2.379 6.035 -7.097 1.00 12.13 N ATOM 631 CA GLU A 43 2.260 4.880 -7.979 1.00 11.03 C ATOM 632 C GLU A 43 1.741 3.665 -7.216 1.00 33.21 C ATOM 633 O GLU A 43 1.082 2.796 -7.788 1.00 21.21 O ATOM 634 CB GLU A 43 3.612 4.556 -8.617 1.00 41.31 C ATOM 635 CG GLU A 43 3.595 4.605 -10.136 1.00 1.44 C ATOM 636 CD GLU A 43 4.266 5.847 -10.687 1.00 12.31 C ATOM 637 OE1 GLU A 43 3.921 6.959 -10.236 1.00 14.24 O ATOM 638 OE2 GLU A 43 5.138 5.708 -11.571 1.00 34.11 O ATOM 0 H GLU A 43 3.337 6.269 -6.835 1.00 12.13 H new ATOM 0 HA GLU A 43 1.546 5.127 -8.765 1.00 11.03 H new ATOM 0 HB2 GLU A 43 4.357 5.261 -8.247 1.00 41.31 H new ATOM 0 HB3 GLU A 43 3.927 3.563 -8.297 1.00 41.31 H new ATOM 0 HG2 GLU A 43 4.096 3.721 -10.530 1.00 1.44 H new ATOM 0 HG3 GLU A 43 2.563 4.569 -10.485 1.00 1.44 H new ATOM 645 N ILE A 44 2.042 3.612 -5.923 1.00 10.42 N ATOM 646 CA ILE A 44 1.606 2.505 -5.082 1.00 64.42 C ATOM 647 C ILE A 44 0.085 2.419 -5.031 1.00 32.41 C ATOM 648 O ILE A 44 -0.487 1.330 -5.046 1.00 20.31 O ATOM 649 CB ILE A 44 2.151 2.639 -3.648 1.00 23.52 C ATOM 650 CG1 ILE A 44 3.671 2.814 -3.671 1.00 21.45 C ATOM 651 CG2 ILE A 44 1.765 1.422 -2.819 1.00 20.42 C ATOM 652 CD1 ILE A 44 4.381 1.821 -4.565 1.00 12.24 C ATOM 0 H ILE A 44 2.586 4.323 -5.435 1.00 10.42 H new ATOM 0 HA ILE A 44 2.003 1.594 -5.529 1.00 64.42 H new ATOM 0 HB ILE A 44 1.709 3.523 -3.188 1.00 23.52 H new ATOM 0 HG12 ILE A 44 3.907 3.824 -4.005 1.00 21.45 H new ATOM 0 HG13 ILE A 44 4.055 2.716 -2.656 1.00 21.45 H new ATOM 0 HG21 ILE A 44 2.157 1.531 -1.808 1.00 20.42 H new ATOM 0 HG22 ILE A 44 0.679 1.338 -2.780 1.00 20.42 H new ATOM 0 HG23 ILE A 44 2.182 0.524 -3.275 1.00 20.42 H new ATOM 0 HD11 ILE A 44 5.455 2.005 -4.532 1.00 12.24 H new ATOM 0 HD12 ILE A 44 4.175 0.808 -4.219 1.00 12.24 H new ATOM 0 HD13 ILE A 44 4.025 1.934 -5.589 1.00 12.24 H new ATOM 664 N VAL A 45 -0.566 3.577 -4.971 1.00 22.03 N ATOM 665 CA VAL A 45 -2.022 3.634 -4.920 1.00 3.12 C ATOM 666 C VAL A 45 -2.632 3.305 -6.277 1.00 22.11 C ATOM 667 O VAL A 45 -3.703 2.703 -6.358 1.00 42.51 O ATOM 668 CB VAL A 45 -2.513 5.023 -4.471 1.00 23.54 C ATOM 669 CG1 VAL A 45 -4.016 5.007 -4.234 1.00 40.32 C ATOM 670 CG2 VAL A 45 -1.773 5.470 -3.220 1.00 13.34 C ATOM 0 H VAL A 45 -0.108 4.488 -4.957 1.00 22.03 H new ATOM 0 HA VAL A 45 -2.343 2.890 -4.191 1.00 3.12 H new ATOM 0 HB VAL A 45 -2.302 5.739 -5.266 1.00 23.54 H new ATOM 0 HG11 VAL A 45 -4.345 5.997 -3.917 1.00 40.32 H new ATOM 0 HG12 VAL A 45 -4.527 4.733 -5.157 1.00 40.32 H new ATOM 0 HG13 VAL A 45 -4.254 4.280 -3.458 1.00 40.32 H new ATOM 0 HG21 VAL A 45 -2.132 6.453 -2.917 1.00 13.34 H new ATOM 0 HG22 VAL A 45 -1.951 4.755 -2.417 1.00 13.34 H new ATOM 0 HG23 VAL A 45 -0.704 5.523 -3.429 1.00 13.34 H new ATOM 680 N MET A 46 -1.944 3.704 -7.341 1.00 45.34 N ATOM 681 CA MET A 46 -2.418 3.449 -8.697 1.00 2.24 C ATOM 682 C MET A 46 -2.450 1.953 -8.990 1.00 43.21 C ATOM 683 O MET A 46 -3.448 1.428 -9.484 1.00 2.44 O ATOM 684 CB MET A 46 -1.525 4.161 -9.715 1.00 22.34 C ATOM 685 CG MET A 46 -2.177 4.339 -11.077 1.00 4.14 C ATOM 686 SD MET A 46 -2.093 6.040 -11.668 1.00 51.51 S ATOM 687 CE MET A 46 -0.349 6.387 -11.458 1.00 63.22 C ATOM 0 H MET A 46 -1.057 4.205 -7.291 1.00 45.34 H new ATOM 0 HA MET A 46 -3.433 3.839 -8.779 1.00 2.24 H new ATOM 0 HB2 MET A 46 -1.250 5.140 -9.322 1.00 22.34 H new ATOM 0 HB3 MET A 46 -0.602 3.594 -9.835 1.00 22.34 H new ATOM 0 HG2 MET A 46 -1.689 3.683 -11.798 1.00 4.14 H new ATOM 0 HG3 MET A 46 -3.220 4.029 -11.020 1.00 4.14 H new ATOM 0 HE1 MET A 46 -0.021 7.082 -12.231 1.00 63.22 H new ATOM 0 HE2 MET A 46 -0.182 6.830 -10.476 1.00 63.22 H new ATOM 0 HE3 MET A 46 0.219 5.460 -11.539 1.00 63.22 H new ATOM 697 N ASN A 47 -1.352 1.270 -8.682 1.00 14.33 N ATOM 698 CA ASN A 47 -1.255 -0.167 -8.912 1.00 51.24 C ATOM 699 C ASN A 47 -2.237 -0.928 -8.028 1.00 54.13 C ATOM 700 O ASN A 47 -2.849 -1.906 -8.460 1.00 14.21 O ATOM 701 CB ASN A 47 0.172 -0.652 -8.645 1.00 73.53 C ATOM 702 CG ASN A 47 1.034 -0.628 -9.891 1.00 12.31 C ATOM 703 OD1 ASN A 47 1.706 -1.607 -10.214 1.00 50.11 O ATOM 704 ND2 ASN A 47 1.020 0.496 -10.599 1.00 14.14 N ATOM 0 H ASN A 47 -0.517 1.689 -8.272 1.00 14.33 H new ATOM 0 HA ASN A 47 -1.508 -0.361 -9.954 1.00 51.24 H new ATOM 0 HB2 ASN A 47 0.628 -0.025 -7.879 1.00 73.53 H new ATOM 0 HB3 ASN A 47 0.140 -1.667 -8.249 1.00 73.53 H new ATOM 0 HD21 ASN A 47 1.581 0.571 -11.447 1.00 14.14 H new ATOM 0 HD22 ASN A 47 0.448 1.284 -10.294 1.00 14.14 H new ATOM 711 N LEU A 48 -2.385 -0.472 -6.790 1.00 23.03 N ATOM 712 CA LEU A 48 -3.294 -1.109 -5.843 1.00 32.14 C ATOM 713 C LEU A 48 -4.741 -0.990 -6.313 1.00 64.54 C ATOM 714 O LEU A 48 -5.496 -1.961 -6.277 1.00 52.33 O ATOM 715 CB LEU A 48 -3.144 -0.478 -4.457 1.00 43.33 C ATOM 716 CG LEU A 48 -1.871 -0.840 -3.690 1.00 34.22 C ATOM 717 CD1 LEU A 48 -1.623 0.156 -2.568 1.00 52.13 C ATOM 718 CD2 LEU A 48 -1.967 -2.255 -3.137 1.00 52.12 C ATOM 0 H LEU A 48 -1.887 0.337 -6.418 1.00 23.03 H new ATOM 0 HA LEU A 48 -3.035 -2.166 -5.784 1.00 32.14 H new ATOM 0 HB2 LEU A 48 -3.183 0.606 -4.567 1.00 43.33 H new ATOM 0 HB3 LEU A 48 -4.004 -0.768 -3.853 1.00 43.33 H new ATOM 0 HG LEU A 48 -1.028 -0.796 -4.380 1.00 34.22 H new ATOM 0 HD11 LEU A 48 -0.713 -0.117 -2.033 1.00 52.13 H new ATOM 0 HD12 LEU A 48 -1.511 1.156 -2.987 1.00 52.13 H new ATOM 0 HD13 LEU A 48 -2.467 0.144 -1.878 1.00 52.13 H new ATOM 0 HD21 LEU A 48 -1.053 -2.496 -2.594 1.00 52.12 H new ATOM 0 HD22 LEU A 48 -2.819 -2.325 -2.461 1.00 52.12 H new ATOM 0 HD23 LEU A 48 -2.097 -2.959 -3.959 1.00 52.12 H new ATOM 730 N GLU A 49 -5.117 0.205 -6.756 1.00 73.32 N ATOM 731 CA GLU A 49 -6.473 0.450 -7.235 1.00 62.51 C ATOM 732 C GLU A 49 -6.845 -0.536 -8.340 1.00 12.15 C ATOM 733 O GLU A 49 -7.979 -1.009 -8.407 1.00 30.11 O ATOM 734 CB GLU A 49 -6.605 1.884 -7.750 1.00 74.42 C ATOM 735 CG GLU A 49 -6.838 2.906 -6.651 1.00 21.21 C ATOM 736 CD GLU A 49 -6.582 4.328 -7.112 1.00 71.43 C ATOM 737 OE1 GLU A 49 -5.399 4.702 -7.248 1.00 40.23 O ATOM 738 OE2 GLU A 49 -7.564 5.065 -7.336 1.00 54.22 O ATOM 0 H GLU A 49 -4.503 1.018 -6.793 1.00 73.32 H new ATOM 0 HA GLU A 49 -7.158 0.308 -6.399 1.00 62.51 H new ATOM 0 HB2 GLU A 49 -5.700 2.150 -8.296 1.00 74.42 H new ATOM 0 HB3 GLU A 49 -7.431 1.932 -8.460 1.00 74.42 H new ATOM 0 HG2 GLU A 49 -7.865 2.823 -6.295 1.00 21.21 H new ATOM 0 HG3 GLU A 49 -6.188 2.680 -5.806 1.00 21.21 H new ATOM 745 N GLU A 50 -5.881 -0.838 -9.205 1.00 11.14 N ATOM 746 CA GLU A 50 -6.108 -1.765 -10.307 1.00 3.13 C ATOM 747 C GLU A 50 -6.153 -3.206 -9.806 1.00 41.52 C ATOM 748 O GLU A 50 -6.805 -4.061 -10.404 1.00 12.13 O ATOM 749 CB GLU A 50 -5.011 -1.614 -11.363 1.00 30.22 C ATOM 750 CG GLU A 50 -5.224 -2.485 -12.591 1.00 14.34 C ATOM 751 CD GLU A 50 -6.458 -2.088 -13.380 1.00 4.44 C ATOM 752 OE1 GLU A 50 -6.366 -1.136 -14.184 1.00 33.25 O ATOM 753 OE2 GLU A 50 -7.513 -2.728 -13.193 1.00 30.31 O ATOM 0 H GLU A 50 -4.937 -0.454 -9.164 1.00 11.14 H new ATOM 0 HA GLU A 50 -7.071 -1.526 -10.757 1.00 3.13 H new ATOM 0 HB2 GLU A 50 -4.958 -0.570 -11.673 1.00 30.22 H new ATOM 0 HB3 GLU A 50 -4.049 -1.863 -10.914 1.00 30.22 H new ATOM 0 HG2 GLU A 50 -4.348 -2.418 -13.236 1.00 14.34 H new ATOM 0 HG3 GLU A 50 -5.314 -3.526 -12.282 1.00 14.34 H new ATOM 760 N GLU A 51 -5.453 -3.466 -8.705 1.00 51.33 N ATOM 761 CA GLU A 51 -5.411 -4.803 -8.126 1.00 14.34 C ATOM 762 C GLU A 51 -6.717 -5.123 -7.402 1.00 41.42 C ATOM 763 O GLU A 51 -7.337 -6.158 -7.648 1.00 31.15 O ATOM 764 CB GLU A 51 -4.235 -4.925 -7.155 1.00 51.22 C ATOM 765 CG GLU A 51 -3.942 -6.355 -6.732 1.00 11.13 C ATOM 766 CD GLU A 51 -3.459 -7.216 -7.883 1.00 25.23 C ATOM 767 OE1 GLU A 51 -2.869 -6.660 -8.833 1.00 0.05 O ATOM 768 OE2 GLU A 51 -3.670 -8.445 -7.834 1.00 64.31 O ATOM 0 H GLU A 51 -4.908 -2.769 -8.197 1.00 51.33 H new ATOM 0 HA GLU A 51 -5.279 -5.519 -8.937 1.00 14.34 H new ATOM 0 HB2 GLU A 51 -3.345 -4.503 -7.621 1.00 51.22 H new ATOM 0 HB3 GLU A 51 -4.444 -4.328 -6.267 1.00 51.22 H new ATOM 0 HG2 GLU A 51 -3.188 -6.350 -5.945 1.00 11.13 H new ATOM 0 HG3 GLU A 51 -4.843 -6.796 -6.306 1.00 11.13 H new ATOM 775 N PHE A 52 -7.128 -4.227 -6.511 1.00 21.42 N ATOM 776 CA PHE A 52 -8.358 -4.414 -5.751 1.00 10.03 C ATOM 777 C PHE A 52 -9.539 -3.757 -6.459 1.00 34.31 C ATOM 778 O PHE A 52 -10.632 -3.656 -5.902 1.00 13.11 O ATOM 779 CB PHE A 52 -8.206 -3.834 -4.343 1.00 60.15 C ATOM 780 CG PHE A 52 -7.091 -4.459 -3.555 1.00 73.42 C ATOM 781 CD1 PHE A 52 -5.799 -3.966 -3.646 1.00 32.51 C ATOM 782 CD2 PHE A 52 -7.334 -5.540 -2.722 1.00 73.23 C ATOM 783 CE1 PHE A 52 -4.771 -4.540 -2.921 1.00 53.14 C ATOM 784 CE2 PHE A 52 -6.311 -6.117 -1.996 1.00 70.41 C ATOM 785 CZ PHE A 52 -5.027 -5.617 -2.095 1.00 73.44 C ATOM 0 H PHE A 52 -6.627 -3.364 -6.298 1.00 21.42 H new ATOM 0 HA PHE A 52 -8.551 -5.484 -5.676 1.00 10.03 H new ATOM 0 HB2 PHE A 52 -8.030 -2.761 -4.418 1.00 60.15 H new ATOM 0 HB3 PHE A 52 -9.142 -3.967 -3.801 1.00 60.15 H new ATOM 0 HD1 PHE A 52 -5.593 -3.124 -4.290 1.00 32.51 H new ATOM 0 HD2 PHE A 52 -8.336 -5.936 -2.640 1.00 73.23 H new ATOM 0 HE1 PHE A 52 -3.768 -4.146 -3.001 1.00 53.14 H new ATOM 0 HE2 PHE A 52 -6.515 -6.959 -1.351 1.00 70.41 H new ATOM 0 HZ PHE A 52 -4.225 -6.067 -1.528 1.00 73.44 H new ATOM 795 N GLY A 53 -9.311 -3.312 -7.690 1.00 55.02 N ATOM 796 CA GLY A 53 -10.365 -2.670 -8.454 1.00 41.43 C ATOM 797 C GLY A 53 -11.032 -1.544 -7.689 1.00 52.04 C ATOM 798 O GLY A 53 -12.205 -1.242 -7.913 1.00 64.43 O ATOM 0 H GLY A 53 -8.415 -3.384 -8.172 1.00 55.02 H new ATOM 0 HA2 GLY A 53 -9.949 -2.278 -9.382 1.00 41.43 H new ATOM 0 HA3 GLY A 53 -11.114 -3.412 -8.729 1.00 41.43 H new ATOM 802 N ILE A 54 -10.285 -0.922 -6.784 1.00 23.42 N ATOM 803 CA ILE A 54 -10.812 0.175 -5.983 1.00 12.42 C ATOM 804 C ILE A 54 -10.377 1.525 -6.546 1.00 33.24 C ATOM 805 O ILE A 54 -9.624 1.590 -7.516 1.00 33.22 O ATOM 806 CB ILE A 54 -10.355 0.073 -4.516 1.00 2.11 C ATOM 807 CG1 ILE A 54 -8.827 0.096 -4.431 1.00 54.52 C ATOM 808 CG2 ILE A 54 -10.906 -1.193 -3.877 1.00 53.44 C ATOM 809 CD1 ILE A 54 -8.302 0.261 -3.023 1.00 10.42 C ATOM 0 H ILE A 54 -9.313 -1.159 -6.587 1.00 23.42 H new ATOM 0 HA ILE A 54 -11.899 0.100 -6.022 1.00 12.42 H new ATOM 0 HB ILE A 54 -10.744 0.933 -3.970 1.00 2.11 H new ATOM 0 HG12 ILE A 54 -8.434 -0.830 -4.850 1.00 54.52 H new ATOM 0 HG13 ILE A 54 -8.449 0.911 -5.049 1.00 54.52 H new ATOM 0 HG21 ILE A 54 -10.575 -1.251 -2.840 1.00 53.44 H new ATOM 0 HG22 ILE A 54 -11.995 -1.172 -3.909 1.00 53.44 H new ATOM 0 HG23 ILE A 54 -10.543 -2.064 -4.423 1.00 53.44 H new ATOM 0 HD11 ILE A 54 -7.212 0.269 -3.040 1.00 10.42 H new ATOM 0 HD12 ILE A 54 -8.665 1.201 -2.607 1.00 10.42 H new ATOM 0 HD13 ILE A 54 -8.650 -0.567 -2.406 1.00 10.42 H new ATOM 821 N ASN A 55 -10.856 2.600 -5.927 1.00 23.01 N ATOM 822 CA ASN A 55 -10.515 3.949 -6.365 1.00 62.30 C ATOM 823 C ASN A 55 -10.403 4.895 -5.175 1.00 0.13 C ATOM 824 O ASN A 55 -11.288 4.943 -4.320 1.00 50.54 O ATOM 825 CB ASN A 55 -11.566 4.469 -7.347 1.00 71.35 C ATOM 826 CG ASN A 55 -12.965 3.994 -7.003 1.00 33.02 C ATOM 827 OD1 ASN A 55 -13.559 3.196 -7.729 1.00 1.33 O ATOM 828 ND2 ASN A 55 -13.498 4.484 -5.889 1.00 50.15 N ATOM 0 H ASN A 55 -11.481 2.563 -5.122 1.00 23.01 H new ATOM 0 HA ASN A 55 -9.548 3.908 -6.866 1.00 62.30 H new ATOM 0 HB2 ASN A 55 -11.546 5.559 -7.352 1.00 71.35 H new ATOM 0 HB3 ASN A 55 -11.311 4.141 -8.355 1.00 71.35 H new ATOM 0 HD21 ASN A 55 -14.436 4.201 -5.605 1.00 50.15 H new ATOM 0 HD22 ASN A 55 -12.969 5.143 -5.318 1.00 50.15 H new ATOM 835 N VAL A 56 -9.309 5.648 -5.125 1.00 24.14 N ATOM 836 CA VAL A 56 -9.080 6.595 -4.040 1.00 15.42 C ATOM 837 C VAL A 56 -8.233 7.772 -4.507 1.00 12.12 C ATOM 838 O VAL A 56 -7.348 7.618 -5.349 1.00 53.21 O ATOM 839 CB VAL A 56 -8.386 5.920 -2.842 1.00 70.14 C ATOM 840 CG1 VAL A 56 -7.047 5.334 -3.262 1.00 51.45 C ATOM 841 CG2 VAL A 56 -8.209 6.911 -1.702 1.00 1.52 C ATOM 0 H VAL A 56 -8.567 5.621 -5.824 1.00 24.14 H new ATOM 0 HA VAL A 56 -10.059 6.958 -3.726 1.00 15.42 H new ATOM 0 HB VAL A 56 -9.018 5.105 -2.490 1.00 70.14 H new ATOM 0 HG11 VAL A 56 -6.571 4.861 -2.403 1.00 51.45 H new ATOM 0 HG12 VAL A 56 -7.204 4.591 -4.044 1.00 51.45 H new ATOM 0 HG13 VAL A 56 -6.405 6.129 -3.641 1.00 51.45 H new ATOM 0 HG21 VAL A 56 -7.717 6.417 -0.864 1.00 1.52 H new ATOM 0 HG22 VAL A 56 -7.598 7.748 -2.039 1.00 1.52 H new ATOM 0 HG23 VAL A 56 -9.185 7.279 -1.385 1.00 1.52 H new ATOM 851 N ASP A 57 -8.509 8.949 -3.955 1.00 44.44 N ATOM 852 CA ASP A 57 -7.770 10.154 -4.314 1.00 51.14 C ATOM 853 C ASP A 57 -6.448 10.228 -3.557 1.00 34.22 C ATOM 854 O ASP A 57 -6.345 9.760 -2.423 1.00 72.42 O ATOM 855 CB ASP A 57 -8.610 11.399 -4.022 1.00 3.13 C ATOM 856 CG ASP A 57 -8.074 12.635 -4.717 1.00 71.22 C ATOM 857 OD1 ASP A 57 -8.235 12.738 -5.952 1.00 62.40 O ATOM 858 OD2 ASP A 57 -7.496 13.500 -4.027 1.00 63.12 O ATOM 0 H ASP A 57 -9.239 9.094 -3.257 1.00 44.44 H new ATOM 0 HA ASP A 57 -7.554 10.113 -5.382 1.00 51.14 H new ATOM 0 HB2 ASP A 57 -9.638 11.223 -4.341 1.00 3.13 H new ATOM 0 HB3 ASP A 57 -8.635 11.573 -2.946 1.00 3.13 H new ATOM 863 N GLU A 58 -5.440 10.817 -4.192 1.00 70.20 N ATOM 864 CA GLU A 58 -4.124 10.949 -3.577 1.00 34.34 C ATOM 865 C GLU A 58 -4.192 11.823 -2.329 1.00 23.54 C ATOM 866 O GLU A 58 -3.551 11.532 -1.318 1.00 14.20 O ATOM 867 CB GLU A 58 -3.128 11.542 -4.575 1.00 5.51 C ATOM 868 CG GLU A 58 -1.675 11.274 -4.219 1.00 62.34 C ATOM 869 CD GLU A 58 -0.716 12.196 -4.945 1.00 23.20 C ATOM 870 OE1 GLU A 58 -0.517 12.006 -6.163 1.00 24.13 O ATOM 871 OE2 GLU A 58 -0.163 13.108 -4.294 1.00 73.44 O ATOM 0 H GLU A 58 -5.509 11.210 -5.131 1.00 70.20 H new ATOM 0 HA GLU A 58 -3.786 9.955 -3.285 1.00 34.34 H new ATOM 0 HB2 GLU A 58 -3.332 11.133 -5.565 1.00 5.51 H new ATOM 0 HB3 GLU A 58 -3.285 12.619 -4.636 1.00 5.51 H new ATOM 0 HG2 GLU A 58 -1.541 11.391 -3.144 1.00 62.34 H new ATOM 0 HG3 GLU A 58 -1.431 10.239 -4.460 1.00 62.34 H new ATOM 878 N ASP A 59 -4.972 12.895 -2.406 1.00 71.42 N ATOM 879 CA ASP A 59 -5.126 13.812 -1.282 1.00 44.33 C ATOM 880 C ASP A 59 -5.595 13.070 -0.035 1.00 12.23 C ATOM 881 O ASP A 59 -5.326 13.492 1.090 1.00 44.23 O ATOM 882 CB ASP A 59 -6.117 14.922 -1.634 1.00 35.22 C ATOM 883 CG ASP A 59 -5.906 16.172 -0.802 1.00 71.25 C ATOM 884 OD1 ASP A 59 -4.748 16.443 -0.423 1.00 14.23 O ATOM 885 OD2 ASP A 59 -6.900 16.878 -0.530 1.00 11.24 O ATOM 0 H ASP A 59 -5.508 13.151 -3.235 1.00 71.42 H new ATOM 0 HA ASP A 59 -4.153 14.257 -1.073 1.00 44.33 H new ATOM 0 HB2 ASP A 59 -6.018 15.171 -2.691 1.00 35.22 H new ATOM 0 HB3 ASP A 59 -7.134 14.558 -1.486 1.00 35.22 H new ATOM 890 N LYS A 60 -6.300 11.963 -0.241 1.00 3.30 N ATOM 891 CA LYS A 60 -6.808 11.161 0.865 1.00 20.44 C ATOM 892 C LYS A 60 -5.731 10.217 1.392 1.00 74.22 C ATOM 893 O LYS A 60 -5.766 9.805 2.550 1.00 75.51 O ATOM 894 CB LYS A 60 -8.032 10.358 0.420 1.00 74.00 C ATOM 895 CG LYS A 60 -9.352 10.969 0.859 1.00 73.42 C ATOM 896 CD LYS A 60 -10.360 10.993 -0.278 1.00 21.23 C ATOM 897 CE LYS A 60 -11.255 9.763 -0.256 1.00 4.54 C ATOM 898 NZ LYS A 60 -12.463 9.970 0.588 1.00 15.44 N ATOM 0 H LYS A 60 -6.533 11.600 -1.166 1.00 3.30 H new ATOM 0 HA LYS A 60 -7.098 11.838 1.669 1.00 20.44 H new ATOM 0 HB2 LYS A 60 -8.024 10.272 -0.667 1.00 74.00 H new ATOM 0 HB3 LYS A 60 -7.958 9.347 0.820 1.00 74.00 H new ATOM 0 HG2 LYS A 60 -9.758 10.399 1.695 1.00 73.42 H new ATOM 0 HG3 LYS A 60 -9.183 11.984 1.218 1.00 73.42 H new ATOM 0 HD2 LYS A 60 -10.973 11.891 -0.203 1.00 21.23 H new ATOM 0 HD3 LYS A 60 -9.834 11.044 -1.231 1.00 21.23 H new ATOM 0 HE2 LYS A 60 -11.561 9.518 -1.273 1.00 4.54 H new ATOM 0 HE3 LYS A 60 -10.691 8.910 0.121 1.00 4.54 H new ATOM 0 HZ1 LYS A 60 -13.046 9.109 0.576 1.00 15.44 H new ATOM 0 HZ2 LYS A 60 -12.173 10.178 1.565 1.00 15.44 H new ATOM 0 HZ3 LYS A 60 -13.016 10.768 0.214 1.00 15.44 H new ATOM 912 N ALA A 61 -4.776 9.879 0.533 1.00 2.51 N ATOM 913 CA ALA A 61 -3.687 8.986 0.912 1.00 12.23 C ATOM 914 C ALA A 61 -2.456 9.776 1.347 1.00 72.32 C ATOM 915 O ALA A 61 -1.326 9.320 1.179 1.00 30.44 O ATOM 916 CB ALA A 61 -3.340 8.056 -0.240 1.00 54.11 C ATOM 0 H ALA A 61 -4.734 10.210 -0.431 1.00 2.51 H new ATOM 0 HA ALA A 61 -4.020 8.386 1.759 1.00 12.23 H new ATOM 0 HB1 ALA A 61 -2.526 7.396 0.058 1.00 54.11 H new ATOM 0 HB2 ALA A 61 -4.214 7.459 -0.502 1.00 54.11 H new ATOM 0 HB3 ALA A 61 -3.032 8.646 -1.103 1.00 54.11 H new ATOM 922 N GLN A 62 -2.685 10.960 1.903 1.00 30.03 N ATOM 923 CA GLN A 62 -1.593 11.812 2.360 1.00 30.10 C ATOM 924 C GLN A 62 -1.019 11.301 3.677 1.00 1.33 C ATOM 925 O GLN A 62 0.193 11.132 3.813 1.00 43.22 O ATOM 926 CB GLN A 62 -2.079 13.253 2.526 1.00 3.22 C ATOM 927 CG GLN A 62 -2.280 13.983 1.208 1.00 1.21 C ATOM 928 CD GLN A 62 -0.983 14.512 0.629 1.00 11.24 C ATOM 929 OE1 GLN A 62 -0.426 15.495 1.120 1.00 73.21 O ATOM 930 NE2 GLN A 62 -0.493 13.862 -0.419 1.00 50.33 N ATOM 0 H GLN A 62 -3.616 11.352 2.048 1.00 30.03 H new ATOM 0 HA GLN A 62 -0.805 11.786 1.607 1.00 30.10 H new ATOM 0 HB2 GLN A 62 -3.020 13.249 3.077 1.00 3.22 H new ATOM 0 HB3 GLN A 62 -1.358 13.803 3.130 1.00 3.22 H new ATOM 0 HG2 GLN A 62 -2.745 13.307 0.490 1.00 1.21 H new ATOM 0 HG3 GLN A 62 -2.971 14.812 1.358 1.00 1.21 H new ATOM 0 HE21 GLN A 62 -0.987 13.052 -0.794 1.00 50.33 H new ATOM 0 HE22 GLN A 62 0.378 14.172 -0.850 1.00 50.33 H new ATOM 939 N ASP A 63 -1.895 11.059 4.646 1.00 54.14 N ATOM 940 CA ASP A 63 -1.475 10.568 5.952 1.00 63.41 C ATOM 941 C ASP A 63 -0.717 9.250 5.819 1.00 74.41 C ATOM 942 O ASP A 63 0.077 8.889 6.688 1.00 31.01 O ATOM 943 CB ASP A 63 -2.688 10.382 6.865 1.00 11.15 C ATOM 944 CG ASP A 63 -3.510 11.649 6.999 1.00 75.11 C ATOM 945 OD1 ASP A 63 -3.071 12.570 7.720 1.00 64.51 O ATOM 946 OD2 ASP A 63 -4.593 11.720 6.382 1.00 13.01 O ATOM 0 H ASP A 63 -2.901 11.195 4.551 1.00 54.14 H new ATOM 0 HA ASP A 63 -0.807 11.308 6.393 1.00 63.41 H new ATOM 0 HB2 ASP A 63 -3.317 9.584 6.471 1.00 11.15 H new ATOM 0 HB3 ASP A 63 -2.351 10.064 7.852 1.00 11.15 H new ATOM 951 N ILE A 64 -0.969 8.537 4.727 1.00 44.13 N ATOM 952 CA ILE A 64 -0.311 7.260 4.481 1.00 43.22 C ATOM 953 C ILE A 64 1.203 7.387 4.615 1.00 74.44 C ATOM 954 O ILE A 64 1.821 8.247 3.989 1.00 4.01 O ATOM 955 CB ILE A 64 -0.647 6.714 3.080 1.00 45.23 C ATOM 956 CG1 ILE A 64 -2.162 6.590 2.907 1.00 62.03 C ATOM 957 CG2 ILE A 64 0.029 5.369 2.859 1.00 23.10 C ATOM 958 CD1 ILE A 64 -2.806 5.637 3.890 1.00 42.15 C ATOM 0 H ILE A 64 -1.624 8.822 3.999 1.00 44.13 H new ATOM 0 HA ILE A 64 -0.683 6.563 5.232 1.00 43.22 H new ATOM 0 HB ILE A 64 -0.271 7.414 2.334 1.00 45.23 H new ATOM 0 HG12 ILE A 64 -2.614 7.575 3.019 1.00 62.03 H new ATOM 0 HG13 ILE A 64 -2.378 6.254 1.893 1.00 62.03 H new ATOM 0 HG21 ILE A 64 -0.218 4.997 1.865 1.00 23.10 H new ATOM 0 HG22 ILE A 64 1.109 5.486 2.944 1.00 23.10 H new ATOM 0 HG23 ILE A 64 -0.319 4.659 3.609 1.00 23.10 H new ATOM 0 HD11 ILE A 64 -3.880 5.599 3.709 1.00 42.15 H new ATOM 0 HD12 ILE A 64 -2.381 4.641 3.763 1.00 42.15 H new ATOM 0 HD13 ILE A 64 -2.621 5.983 4.907 1.00 42.15 H new ATOM 970 N SER A 65 1.793 6.522 5.434 1.00 12.14 N ATOM 971 CA SER A 65 3.235 6.539 5.652 1.00 30.55 C ATOM 972 C SER A 65 3.807 5.125 5.607 1.00 2.43 C ATOM 973 O SER A 65 4.820 4.873 4.953 1.00 74.21 O ATOM 974 CB SER A 65 3.561 7.190 6.999 1.00 54.04 C ATOM 975 OG SER A 65 4.959 7.352 7.161 1.00 13.51 O ATOM 0 H SER A 65 1.295 5.801 5.957 1.00 12.14 H new ATOM 0 HA SER A 65 3.692 7.124 4.854 1.00 30.55 H new ATOM 0 HB2 SER A 65 3.069 8.160 7.066 1.00 54.04 H new ATOM 0 HB3 SER A 65 3.167 6.576 7.808 1.00 54.04 H new ATOM 0 HG SER A 65 5.243 6.924 7.995 1.00 13.51 H new ATOM 981 N THR A 66 3.152 4.205 6.307 1.00 74.50 N ATOM 982 CA THR A 66 3.594 2.817 6.349 1.00 0.33 C ATOM 983 C THR A 66 2.665 1.920 5.539 1.00 24.41 C ATOM 984 O THR A 66 1.616 2.360 5.070 1.00 72.03 O ATOM 985 CB THR A 66 3.665 2.293 7.796 1.00 50.13 C ATOM 986 OG1 THR A 66 2.343 2.077 8.304 1.00 52.35 O ATOM 987 CG2 THR A 66 4.403 3.275 8.692 1.00 45.41 C ATOM 0 H THR A 66 2.312 4.396 6.853 1.00 74.50 H new ATOM 0 HA THR A 66 4.592 2.789 5.912 1.00 0.33 H new ATOM 0 HB THR A 66 4.211 1.350 7.791 1.00 50.13 H new ATOM 0 HG1 THR A 66 2.397 1.742 9.224 1.00 52.35 H new ATOM 0 HG21 THR A 66 4.440 2.883 9.708 1.00 45.41 H new ATOM 0 HG22 THR A 66 5.418 3.415 8.320 1.00 45.41 H new ATOM 0 HG23 THR A 66 3.881 4.232 8.691 1.00 45.41 H new ATOM 995 N ILE A 67 3.058 0.660 5.381 1.00 71.21 N ATOM 996 CA ILE A 67 2.258 -0.300 4.630 1.00 43.23 C ATOM 997 C ILE A 67 0.852 -0.415 5.207 1.00 55.23 C ATOM 998 O ILE A 67 -0.135 -0.386 4.472 1.00 41.20 O ATOM 999 CB ILE A 67 2.914 -1.694 4.620 1.00 32.32 C ATOM 1000 CG1 ILE A 67 4.336 -1.609 4.064 1.00 12.50 C ATOM 1001 CG2 ILE A 67 2.077 -2.667 3.804 1.00 34.42 C ATOM 1002 CD1 ILE A 67 4.393 -1.175 2.616 1.00 42.44 C ATOM 0 H ILE A 67 3.925 0.281 5.763 1.00 71.21 H new ATOM 0 HA ILE A 67 2.198 0.071 3.607 1.00 43.23 H new ATOM 0 HB ILE A 67 2.967 -2.062 5.645 1.00 32.32 H new ATOM 0 HG12 ILE A 67 4.912 -0.908 4.668 1.00 12.50 H new ATOM 0 HG13 ILE A 67 4.815 -2.583 4.162 1.00 12.50 H new ATOM 0 HG21 ILE A 67 2.553 -3.647 3.806 1.00 34.42 H new ATOM 0 HG22 ILE A 67 1.082 -2.746 4.241 1.00 34.42 H new ATOM 0 HG23 ILE A 67 1.995 -2.306 2.779 1.00 34.42 H new ATOM 0 HD11 ILE A 67 5.432 -1.137 2.288 1.00 42.44 H new ATOM 0 HD12 ILE A 67 3.844 -1.888 2.001 1.00 42.44 H new ATOM 0 HD13 ILE A 67 3.944 -0.187 2.514 1.00 42.44 H new ATOM 1014 N GLN A 68 0.769 -0.545 6.527 1.00 35.20 N ATOM 1015 CA GLN A 68 -0.518 -0.663 7.203 1.00 63.52 C ATOM 1016 C GLN A 68 -1.424 0.513 6.857 1.00 33.44 C ATOM 1017 O GLN A 68 -2.602 0.330 6.548 1.00 11.32 O ATOM 1018 CB GLN A 68 -0.316 -0.740 8.718 1.00 14.31 C ATOM 1019 CG GLN A 68 -0.274 -2.161 9.255 1.00 22.13 C ATOM 1020 CD GLN A 68 -1.644 -2.677 9.651 1.00 45.10 C ATOM 1021 OE1 GLN A 68 -1.957 -2.793 10.836 1.00 10.05 O ATOM 1022 NE2 GLN A 68 -2.468 -2.989 8.658 1.00 23.53 N ATOM 0 H GLN A 68 1.577 -0.571 7.149 1.00 35.20 H new ATOM 0 HA GLN A 68 -0.998 -1.580 6.861 1.00 63.52 H new ATOM 0 HB2 GLN A 68 0.614 -0.235 8.978 1.00 14.31 H new ATOM 0 HB3 GLN A 68 -1.122 -0.198 9.212 1.00 14.31 H new ATOM 0 HG2 GLN A 68 0.153 -2.819 8.498 1.00 22.13 H new ATOM 0 HG3 GLN A 68 0.388 -2.199 10.120 1.00 22.13 H new ATOM 0 HE21 GLN A 68 -2.166 -2.877 7.690 1.00 23.53 H new ATOM 0 HE22 GLN A 68 -3.403 -3.341 8.863 1.00 23.53 H new ATOM 1031 N GLN A 69 -0.869 1.719 6.914 1.00 43.15 N ATOM 1032 CA GLN A 69 -1.628 2.925 6.607 1.00 32.40 C ATOM 1033 C GLN A 69 -2.307 2.810 5.246 1.00 21.52 C ATOM 1034 O GLN A 69 -3.495 3.097 5.108 1.00 15.01 O ATOM 1035 CB GLN A 69 -0.713 4.150 6.631 1.00 12.34 C ATOM 1036 CG GLN A 69 -0.078 4.408 7.988 1.00 4.42 C ATOM 1037 CD GLN A 69 -1.057 4.243 9.132 1.00 35.44 C ATOM 1038 OE1 GLN A 69 -1.937 5.081 9.338 1.00 64.22 O ATOM 1039 NE2 GLN A 69 -0.912 3.159 9.886 1.00 0.44 N ATOM 0 H GLN A 69 0.104 1.887 7.170 1.00 43.15 H new ATOM 0 HA GLN A 69 -2.399 3.041 7.369 1.00 32.40 H new ATOM 0 HB2 GLN A 69 0.075 4.019 5.889 1.00 12.34 H new ATOM 0 HB3 GLN A 69 -1.287 5.028 6.335 1.00 12.34 H new ATOM 0 HG2 GLN A 69 0.758 3.723 8.129 1.00 4.42 H new ATOM 0 HG3 GLN A 69 0.330 5.418 8.007 1.00 4.42 H new ATOM 0 HE21 GLN A 69 -0.170 2.490 9.680 1.00 0.44 H new ATOM 0 HE22 GLN A 69 -1.543 2.995 10.671 1.00 0.44 H new ATOM 1048 N ALA A 70 -1.544 2.387 4.244 1.00 52.12 N ATOM 1049 CA ALA A 70 -2.073 2.232 2.894 1.00 42.21 C ATOM 1050 C ALA A 70 -3.059 1.072 2.820 1.00 71.50 C ATOM 1051 O ALA A 70 -3.955 1.058 1.976 1.00 0.42 O ATOM 1052 CB ALA A 70 -0.936 2.026 1.903 1.00 72.31 C ATOM 0 H ALA A 70 -0.558 2.145 4.341 1.00 52.12 H new ATOM 0 HA ALA A 70 -2.608 3.145 2.633 1.00 42.21 H new ATOM 0 HB1 ALA A 70 -1.345 1.912 0.899 1.00 72.31 H new ATOM 0 HB2 ALA A 70 -0.271 2.889 1.928 1.00 72.31 H new ATOM 0 HB3 ALA A 70 -0.377 1.129 2.172 1.00 72.31 H new ATOM 1058 N ALA A 71 -2.889 0.099 3.709 1.00 25.12 N ATOM 1059 CA ALA A 71 -3.765 -1.065 3.746 1.00 72.42 C ATOM 1060 C ALA A 71 -5.128 -0.708 4.330 1.00 2.33 C ATOM 1061 O ALA A 71 -6.163 -1.150 3.831 1.00 63.02 O ATOM 1062 CB ALA A 71 -3.122 -2.185 4.550 1.00 61.23 C ATOM 0 H ALA A 71 -2.152 0.094 4.414 1.00 25.12 H new ATOM 0 HA ALA A 71 -3.915 -1.408 2.722 1.00 72.42 H new ATOM 0 HB1 ALA A 71 -3.788 -3.048 4.569 1.00 61.23 H new ATOM 0 HB2 ALA A 71 -2.176 -2.467 4.089 1.00 61.23 H new ATOM 0 HB3 ALA A 71 -2.941 -1.844 5.569 1.00 61.23 H new ATOM 1068 N ASP A 72 -5.121 0.093 5.389 1.00 20.02 N ATOM 1069 CA ASP A 72 -6.357 0.510 6.041 1.00 5.24 C ATOM 1070 C ASP A 72 -7.275 1.227 5.057 1.00 72.23 C ATOM 1071 O ASP A 72 -8.495 1.065 5.098 1.00 33.13 O ATOM 1072 CB ASP A 72 -6.049 1.423 7.229 1.00 21.33 C ATOM 1073 CG ASP A 72 -5.350 0.690 8.356 1.00 31.54 C ATOM 1074 OD1 ASP A 72 -5.005 -0.496 8.170 1.00 1.53 O ATOM 1075 OD2 ASP A 72 -5.147 1.302 9.426 1.00 41.40 O ATOM 0 H ASP A 72 -4.273 0.467 5.815 1.00 20.02 H new ATOM 0 HA ASP A 72 -6.868 -0.383 6.402 1.00 5.24 H new ATOM 0 HB2 ASP A 72 -5.423 2.251 6.895 1.00 21.33 H new ATOM 0 HB3 ASP A 72 -6.978 1.855 7.602 1.00 21.33 H new ATOM 1080 N VAL A 73 -6.681 2.021 4.172 1.00 41.34 N ATOM 1081 CA VAL A 73 -7.445 2.764 3.177 1.00 52.52 C ATOM 1082 C VAL A 73 -8.090 1.823 2.164 1.00 4.42 C ATOM 1083 O VAL A 73 -9.227 2.033 1.743 1.00 52.43 O ATOM 1084 CB VAL A 73 -6.558 3.777 2.428 1.00 30.32 C ATOM 1085 CG1 VAL A 73 -7.366 4.519 1.375 1.00 73.43 C ATOM 1086 CG2 VAL A 73 -5.921 4.751 3.407 1.00 12.23 C ATOM 0 H VAL A 73 -5.673 2.166 4.124 1.00 41.34 H new ATOM 0 HA VAL A 73 -8.224 3.304 3.715 1.00 52.52 H new ATOM 0 HB VAL A 73 -5.761 3.232 1.922 1.00 30.32 H new ATOM 0 HG11 VAL A 73 -6.722 5.230 0.857 1.00 73.43 H new ATOM 0 HG12 VAL A 73 -7.771 3.805 0.657 1.00 73.43 H new ATOM 0 HG13 VAL A 73 -8.185 5.054 1.855 1.00 73.43 H new ATOM 0 HG21 VAL A 73 -5.298 5.460 2.862 1.00 12.23 H new ATOM 0 HG22 VAL A 73 -6.702 5.291 3.942 1.00 12.23 H new ATOM 0 HG23 VAL A 73 -5.306 4.201 4.120 1.00 12.23 H new ATOM 1096 N ILE A 74 -7.354 0.786 1.778 1.00 32.21 N ATOM 1097 CA ILE A 74 -7.854 -0.188 0.816 1.00 73.11 C ATOM 1098 C ILE A 74 -8.950 -1.054 1.428 1.00 22.23 C ATOM 1099 O ILE A 74 -10.076 -1.086 0.936 1.00 62.41 O ATOM 1100 CB ILE A 74 -6.725 -1.099 0.298 1.00 2.44 C ATOM 1101 CG1 ILE A 74 -5.638 -0.264 -0.382 1.00 40.30 C ATOM 1102 CG2 ILE A 74 -7.281 -2.138 -0.663 1.00 12.30 C ATOM 1103 CD1 ILE A 74 -4.250 -0.851 -0.245 1.00 75.35 C ATOM 0 H ILE A 74 -6.410 0.599 2.117 1.00 32.21 H new ATOM 0 HA ILE A 74 -8.266 0.378 -0.020 1.00 73.11 H new ATOM 0 HB ILE A 74 -6.280 -1.619 1.146 1.00 2.44 H new ATOM 0 HG12 ILE A 74 -5.878 -0.163 -1.440 1.00 40.30 H new ATOM 0 HG13 ILE A 74 -5.643 0.740 0.043 1.00 40.30 H new ATOM 0 HG21 ILE A 74 -6.471 -2.774 -1.020 1.00 12.30 H new ATOM 0 HG22 ILE A 74 -8.022 -2.749 -0.149 1.00 12.30 H new ATOM 0 HG23 ILE A 74 -7.749 -1.637 -1.510 1.00 12.30 H new ATOM 0 HD11 ILE A 74 -3.531 -0.207 -0.751 1.00 75.35 H new ATOM 0 HD12 ILE A 74 -3.990 -0.927 0.811 1.00 75.35 H new ATOM 0 HD13 ILE A 74 -4.228 -1.843 -0.696 1.00 75.35 H new ATOM 1115 N GLU A 75 -8.610 -1.753 2.508 1.00 53.41 N ATOM 1116 CA GLU A 75 -9.566 -2.618 3.189 1.00 42.45 C ATOM 1117 C GLU A 75 -10.837 -1.851 3.543 1.00 72.11 C ATOM 1118 O GLU A 75 -11.924 -2.424 3.601 1.00 75.03 O ATOM 1119 CB GLU A 75 -8.942 -3.206 4.456 1.00 75.42 C ATOM 1120 CG GLU A 75 -8.812 -2.205 5.592 1.00 61.54 C ATOM 1121 CD GLU A 75 -10.067 -2.119 6.439 1.00 42.03 C ATOM 1122 OE1 GLU A 75 -10.544 -3.176 6.904 1.00 55.42 O ATOM 1123 OE2 GLU A 75 -10.572 -0.994 6.637 1.00 44.33 O ATOM 0 H GLU A 75 -7.681 -1.737 2.929 1.00 53.41 H new ATOM 0 HA GLU A 75 -9.829 -3.430 2.512 1.00 42.45 H new ATOM 0 HB2 GLU A 75 -9.548 -4.048 4.792 1.00 75.42 H new ATOM 0 HB3 GLU A 75 -7.955 -3.600 4.215 1.00 75.42 H new ATOM 0 HG2 GLU A 75 -7.970 -2.486 6.224 1.00 61.54 H new ATOM 0 HG3 GLU A 75 -8.588 -1.221 5.181 1.00 61.54 H new ATOM 1130 N GLY A 76 -10.691 -0.551 3.780 1.00 21.01 N ATOM 1131 CA GLY A 76 -11.834 0.273 4.126 1.00 22.53 C ATOM 1132 C GLY A 76 -12.745 0.530 2.942 1.00 4.15 C ATOM 1133 O GLY A 76 -13.944 0.756 3.108 1.00 61.01 O ATOM 0 H GLY A 76 -9.801 -0.054 3.739 1.00 21.01 H new ATOM 0 HA2 GLY A 76 -12.402 -0.214 4.918 1.00 22.53 H new ATOM 0 HA3 GLY A 76 -11.484 1.225 4.524 1.00 22.53 H new ATOM 1137 N LEU A 77 -12.174 0.497 1.742 1.00 33.32 N ATOM 1138 CA LEU A 77 -12.942 0.730 0.524 1.00 53.12 C ATOM 1139 C LEU A 77 -13.704 -0.525 0.113 1.00 74.54 C ATOM 1140 O LEU A 77 -14.801 -0.445 -0.443 1.00 55.24 O ATOM 1141 CB LEU A 77 -12.015 1.171 -0.610 1.00 0.40 C ATOM 1142 CG LEU A 77 -11.348 2.536 -0.438 1.00 43.00 C ATOM 1143 CD1 LEU A 77 -10.041 2.593 -1.214 1.00 14.11 C ATOM 1144 CD2 LEU A 77 -12.284 3.649 -0.884 1.00 72.12 C ATOM 0 H LEU A 77 -11.183 0.311 1.587 1.00 33.32 H new ATOM 0 HA LEU A 77 -13.664 1.522 0.725 1.00 53.12 H new ATOM 0 HB2 LEU A 77 -11.234 0.419 -0.727 1.00 0.40 H new ATOM 0 HB3 LEU A 77 -12.588 1.183 -1.537 1.00 0.40 H new ATOM 0 HG LEU A 77 -11.126 2.679 0.620 1.00 43.00 H new ATOM 0 HD11 LEU A 77 -9.581 3.572 -1.080 1.00 14.11 H new ATOM 0 HD12 LEU A 77 -9.365 1.821 -0.846 1.00 14.11 H new ATOM 0 HD13 LEU A 77 -10.239 2.427 -2.273 1.00 14.11 H new ATOM 0 HD21 LEU A 77 -11.791 4.613 -0.754 1.00 72.12 H new ATOM 0 HD22 LEU A 77 -12.539 3.511 -1.935 1.00 72.12 H new ATOM 0 HD23 LEU A 77 -13.193 3.622 -0.283 1.00 72.12 H new ATOM 1156 N LEU A 78 -13.119 -1.685 0.392 1.00 55.35 N ATOM 1157 CA LEU A 78 -13.745 -2.958 0.053 1.00 30.40 C ATOM 1158 C LEU A 78 -14.884 -3.280 1.016 1.00 5.34 C ATOM 1159 O LEU A 78 -15.820 -3.997 0.667 1.00 24.14 O ATOM 1160 CB LEU A 78 -12.708 -4.082 0.079 1.00 4.42 C ATOM 1161 CG LEU A 78 -11.750 -4.140 -1.113 1.00 31.04 C ATOM 1162 CD1 LEU A 78 -10.476 -3.367 -0.811 1.00 65.35 C ATOM 1163 CD2 LEU A 78 -11.430 -5.584 -1.469 1.00 53.30 C ATOM 0 H LEU A 78 -12.213 -1.770 0.852 1.00 55.35 H new ATOM 0 HA LEU A 78 -14.157 -2.875 -0.953 1.00 30.40 H new ATOM 0 HB2 LEU A 78 -12.117 -3.983 0.990 1.00 4.42 H new ATOM 0 HB3 LEU A 78 -13.235 -5.034 0.143 1.00 4.42 H new ATOM 0 HG LEU A 78 -12.237 -3.675 -1.970 1.00 31.04 H new ATOM 0 HD11 LEU A 78 -9.807 -3.419 -1.670 1.00 65.35 H new ATOM 0 HD12 LEU A 78 -10.722 -2.325 -0.606 1.00 65.35 H new ATOM 0 HD13 LEU A 78 -9.984 -3.802 0.059 1.00 65.35 H new ATOM 0 HD21 LEU A 78 -10.748 -5.607 -2.319 1.00 53.30 H new ATOM 0 HD22 LEU A 78 -10.963 -6.074 -0.615 1.00 53.30 H new ATOM 0 HD23 LEU A 78 -12.350 -6.107 -1.729 1.00 53.30 H new ATOM 1175 N GLU A 79 -14.794 -2.742 2.229 1.00 74.21 N ATOM 1176 CA GLU A 79 -15.818 -2.971 3.242 1.00 51.12 C ATOM 1177 C GLU A 79 -17.193 -2.550 2.731 1.00 52.24 C ATOM 1178 O GLU A 79 -18.217 -3.094 3.147 1.00 4.35 O ATOM 1179 CB GLU A 79 -15.481 -2.203 4.522 1.00 61.14 C ATOM 1180 CG GLU A 79 -14.473 -2.914 5.410 1.00 34.21 C ATOM 1181 CD GLU A 79 -15.115 -3.968 6.292 1.00 71.21 C ATOM 1182 OE1 GLU A 79 -16.351 -3.923 6.467 1.00 72.11 O ATOM 1183 OE2 GLU A 79 -14.382 -4.839 6.806 1.00 10.01 O ATOM 0 H GLU A 79 -14.024 -2.146 2.533 1.00 74.21 H new ATOM 0 HA GLU A 79 -15.842 -4.038 3.462 1.00 51.12 H new ATOM 0 HB2 GLU A 79 -15.089 -1.222 4.255 1.00 61.14 H new ATOM 0 HB3 GLU A 79 -16.398 -2.036 5.088 1.00 61.14 H new ATOM 0 HG2 GLU A 79 -13.711 -3.382 4.786 1.00 34.21 H new ATOM 0 HG3 GLU A 79 -13.965 -2.181 6.037 1.00 34.21 H new ATOM 1190 N LYS A 80 -17.209 -1.578 1.825 1.00 61.40 N ATOM 1191 CA LYS A 80 -18.457 -1.083 1.255 1.00 22.15 C ATOM 1192 C LYS A 80 -19.002 -2.054 0.213 1.00 22.25 C ATOM 1193 O LYS A 80 -20.198 -2.061 -0.079 1.00 4.12 O ATOM 1194 CB LYS A 80 -18.241 0.293 0.622 1.00 14.33 C ATOM 1195 CG LYS A 80 -19.487 1.162 0.616 1.00 52.35 C ATOM 1196 CD LYS A 80 -19.839 1.643 2.013 1.00 60.13 C ATOM 1197 CE LYS A 80 -19.056 2.893 2.386 1.00 74.42 C ATOM 1198 NZ LYS A 80 -19.728 4.131 1.905 1.00 31.22 N ATOM 0 H LYS A 80 -16.371 -1.117 1.469 1.00 61.40 H new ATOM 0 HA LYS A 80 -19.186 -0.996 2.060 1.00 22.15 H new ATOM 0 HB2 LYS A 80 -17.449 0.812 1.162 1.00 14.33 H new ATOM 0 HB3 LYS A 80 -17.895 0.162 -0.403 1.00 14.33 H new ATOM 0 HG2 LYS A 80 -19.329 2.021 -0.036 1.00 52.35 H new ATOM 0 HG3 LYS A 80 -20.323 0.598 0.203 1.00 52.35 H new ATOM 0 HD2 LYS A 80 -20.907 1.852 2.069 1.00 60.13 H new ATOM 0 HD3 LYS A 80 -19.630 0.853 2.734 1.00 60.13 H new ATOM 0 HE2 LYS A 80 -18.940 2.940 3.469 1.00 74.42 H new ATOM 0 HE3 LYS A 80 -18.054 2.835 1.961 1.00 74.42 H new ATOM 0 HZ1 LYS A 80 -19.164 4.961 2.179 1.00 31.22 H new ATOM 0 HZ2 LYS A 80 -19.816 4.098 0.869 1.00 31.22 H new ATOM 0 HZ3 LYS A 80 -20.674 4.200 2.331 1.00 31.22 H new ATOM 1212 N LYS A 81 -18.118 -2.875 -0.344 1.00 2.30 N ATOM 1213 CA LYS A 81 -18.509 -3.853 -1.352 1.00 34.42 C ATOM 1214 C LYS A 81 -19.684 -4.696 -0.864 1.00 12.43 C ATOM 1215 O LYS A 81 -20.810 -4.538 -1.332 1.00 14.40 O ATOM 1216 CB LYS A 81 -17.326 -4.760 -1.698 1.00 55.13 C ATOM 1217 CG LYS A 81 -16.124 -4.009 -2.244 1.00 32.54 C ATOM 1218 CD LYS A 81 -16.030 -4.128 -3.755 1.00 70.24 C ATOM 1219 CE LYS A 81 -15.477 -5.482 -4.175 1.00 74.31 C ATOM 1220 NZ LYS A 81 -16.562 -6.439 -4.529 1.00 32.50 N ATOM 0 H LYS A 81 -17.124 -2.882 -0.114 1.00 2.30 H new ATOM 0 HA LYS A 81 -18.818 -3.313 -2.247 1.00 34.42 H new ATOM 0 HB2 LYS A 81 -17.026 -5.309 -0.805 1.00 55.13 H new ATOM 0 HB3 LYS A 81 -17.647 -5.498 -2.433 1.00 55.13 H new ATOM 0 HG2 LYS A 81 -16.194 -2.958 -1.965 1.00 32.54 H new ATOM 0 HG3 LYS A 81 -15.213 -4.400 -1.790 1.00 32.54 H new ATOM 0 HD2 LYS A 81 -17.017 -3.985 -4.194 1.00 70.24 H new ATOM 0 HD3 LYS A 81 -15.390 -3.336 -4.144 1.00 70.24 H new ATOM 0 HE2 LYS A 81 -14.813 -5.354 -5.030 1.00 74.31 H new ATOM 0 HE3 LYS A 81 -14.877 -5.897 -3.365 1.00 74.31 H new ATOM 0 HZ1 LYS A 81 -16.233 -7.073 -5.285 1.00 32.50 H new ATOM 0 HZ2 LYS A 81 -16.816 -7.001 -3.692 1.00 32.50 H new ATOM 0 HZ3 LYS A 81 -17.396 -5.912 -4.858 1.00 32.50 H new ATOM 1234 N ALA A 82 -19.413 -5.590 0.080 1.00 25.35 N ATOM 1235 CA ALA A 82 -20.447 -6.455 0.634 1.00 22.30 C ATOM 1236 C ALA A 82 -19.946 -7.185 1.877 1.00 54.40 C ATOM 1237 O ALA A 82 -18.919 -7.862 1.838 1.00 63.50 O ATOM 1238 CB ALA A 82 -20.916 -7.454 -0.414 1.00 14.14 C ATOM 0 H ALA A 82 -18.485 -5.735 0.478 1.00 25.35 H new ATOM 0 HA ALA A 82 -21.290 -5.830 0.928 1.00 22.30 H new ATOM 0 HB1 ALA A 82 -21.688 -8.094 0.013 1.00 14.14 H new ATOM 0 HB2 ALA A 82 -21.322 -6.918 -1.272 1.00 14.14 H new ATOM 0 HB3 ALA A 82 -20.074 -8.067 -0.735 1.00 14.14 H new TER 1244 ALA A 82