USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 617 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 44 SER OG : rot 103:sc= 1 USER MOD Set 1.2: A 74 SER OG : rot -38:sc= 0.439 USER MOD Set 1.3: A 82 HIS :FLIP no HD1:sc= 0.608 F(o=0.82,f=3.7) USER MOD Set 1.4: A 84 THR OG1 : rot 108:sc= 1.6 USER MOD Set 2.1: A 39 LYS NZ :NH3+ 170:sc= 0.537 (180deg=-0.317) USER MOD Set 2.2: A 42 THR OG1 : rot -111:sc= 1.29 USER MOD Single : A 25 MET CE :methyl 165:sc= -0.0804 (180deg=-0.35) USER MOD Single : A 26 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0537) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 0.433 (180deg=0.231) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 96:sc= -0.78 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -113:sc= -0.911 (180deg=-1.76) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= 0.453 (180deg=-0.229) USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00243) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00644 USER MOD Single : A 76 GLN : amide:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 150:sc= 1.42 (180deg=0.31) USER MOD Single : A 90 LYS NZ :NH3+ -128:sc= 0.0511 (180deg=-0.14) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.179 K(o=-0.18,f=-0.92) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.55) USER MOD Single : A 97 HIS : no HE2:sc=-0.00545 X(o=-0.0054,f=-0.47) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.00024) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 0.813 2.910 8.208 1.00 41.01 N ATOM 2 CA ALA A 22 0.242 2.568 6.891 1.00 31.32 C ATOM 3 C ALA A 22 -1.142 1.918 7.062 1.00 44.31 C ATOM 4 O ALA A 22 -1.442 1.364 8.123 1.00 71.12 O ATOM 5 CB ALA A 22 1.199 1.661 6.106 1.00 44.30 C ATOM 0 HA ALA A 22 0.112 3.484 6.315 1.00 31.32 H new ATOM 0 HB1 ALA A 22 0.760 1.420 5.138 1.00 44.30 H new ATOM 0 HB2 ALA A 22 2.148 2.176 5.956 1.00 44.30 H new ATOM 0 HB3 ALA A 22 1.370 0.741 6.666 1.00 44.30 H new ATOM 13 N GLU A 23 -1.977 1.995 6.005 1.00 42.14 N ATOM 14 CA GLU A 23 -3.326 1.379 5.976 1.00 74.13 C ATOM 15 C GLU A 23 -3.530 0.645 4.641 1.00 54.02 C ATOM 16 O GLU A 23 -2.868 0.961 3.659 1.00 4.03 O ATOM 17 CB GLU A 23 -4.429 2.461 6.171 1.00 64.31 C ATOM 18 CG GLU A 23 -4.563 3.477 5.010 1.00 41.33 C ATOM 19 CD GLU A 23 -5.694 4.505 5.230 1.00 1.23 C ATOM 20 OE1 GLU A 23 -6.880 4.114 5.185 1.00 44.33 O ATOM 21 OE2 GLU A 23 -5.409 5.696 5.479 1.00 54.10 O ATOM 0 H GLU A 23 -1.737 2.487 5.144 1.00 42.14 H new ATOM 0 HA GLU A 23 -3.403 0.664 6.795 1.00 74.13 H new ATOM 0 HB2 GLU A 23 -5.387 1.960 6.308 1.00 64.31 H new ATOM 0 HB3 GLU A 23 -4.221 3.008 7.090 1.00 64.31 H new ATOM 0 HG2 GLU A 23 -3.618 4.006 4.888 1.00 41.33 H new ATOM 0 HG3 GLU A 23 -4.748 2.936 4.082 1.00 41.33 H new ATOM 28 N ILE A 24 -4.446 -0.330 4.614 1.00 34.13 N ATOM 29 CA ILE A 24 -4.777 -1.092 3.395 1.00 62.34 C ATOM 30 C ILE A 24 -5.900 -0.388 2.609 1.00 5.14 C ATOM 31 O ILE A 24 -6.915 0.014 3.191 1.00 75.31 O ATOM 32 CB ILE A 24 -5.204 -2.568 3.754 1.00 11.53 C ATOM 33 CG1 ILE A 24 -4.008 -3.355 4.370 1.00 23.51 C ATOM 34 CG2 ILE A 24 -5.777 -3.317 2.528 1.00 42.23 C ATOM 35 CD1 ILE A 24 -2.804 -3.512 3.448 1.00 65.12 C ATOM 0 H ILE A 24 -4.981 -0.616 5.434 1.00 34.13 H new ATOM 0 HA ILE A 24 -3.885 -1.136 2.769 1.00 62.34 H new ATOM 0 HB ILE A 24 -5.998 -2.504 4.498 1.00 11.53 H new ATOM 0 HG12 ILE A 24 -3.687 -2.848 5.280 1.00 23.51 H new ATOM 0 HG13 ILE A 24 -4.355 -4.346 4.663 1.00 23.51 H new ATOM 0 HG21 ILE A 24 -6.058 -4.329 2.819 1.00 42.23 H new ATOM 0 HG22 ILE A 24 -6.655 -2.789 2.157 1.00 42.23 H new ATOM 0 HG23 ILE A 24 -5.022 -3.362 1.743 1.00 42.23 H new ATOM 0 HD11 ILE A 24 -2.023 -4.072 3.962 1.00 65.12 H new ATOM 0 HD12 ILE A 24 -3.103 -4.049 2.548 1.00 65.12 H new ATOM 0 HD13 ILE A 24 -2.424 -2.528 3.174 1.00 65.12 H new ATOM 47 N MET A 25 -5.685 -0.233 1.288 1.00 62.33 N ATOM 48 CA MET A 25 -6.683 0.292 0.336 1.00 55.35 C ATOM 49 C MET A 25 -6.619 -0.505 -0.983 1.00 54.41 C ATOM 50 O MET A 25 -5.611 -1.165 -1.286 1.00 51.03 O ATOM 51 CB MET A 25 -6.465 1.813 0.055 1.00 72.21 C ATOM 52 CG MET A 25 -6.750 2.747 1.250 1.00 25.01 C ATOM 53 SD MET A 25 -6.522 4.497 0.853 1.00 65.45 S ATOM 54 CE MET A 25 -7.821 4.782 -0.352 1.00 24.12 C ATOM 0 H MET A 25 -4.798 -0.473 0.845 1.00 62.33 H new ATOM 0 HA MET A 25 -7.669 0.175 0.785 1.00 55.35 H new ATOM 0 HB2 MET A 25 -5.434 1.963 -0.266 1.00 72.21 H new ATOM 0 HB3 MET A 25 -7.104 2.108 -0.777 1.00 72.21 H new ATOM 0 HG2 MET A 25 -7.773 2.588 1.592 1.00 25.01 H new ATOM 0 HG3 MET A 25 -6.093 2.480 2.077 1.00 25.01 H new ATOM 0 HE1 MET A 25 -7.969 5.854 -0.480 1.00 24.12 H new ATOM 0 HE2 MET A 25 -7.536 4.338 -1.306 1.00 24.12 H new ATOM 0 HE3 MET A 25 -8.748 4.327 -0.003 1.00 24.12 H new ATOM 64 N LYS A 26 -7.722 -0.433 -1.746 1.00 50.33 N ATOM 65 CA LYS A 26 -7.852 -1.069 -3.072 1.00 14.53 C ATOM 66 C LYS A 26 -7.562 -0.024 -4.157 1.00 23.44 C ATOM 67 O LYS A 26 -7.912 1.141 -3.979 1.00 64.23 O ATOM 68 CB LYS A 26 -9.288 -1.634 -3.245 1.00 42.34 C ATOM 69 CG LYS A 26 -9.733 -2.564 -2.101 1.00 22.12 C ATOM 70 CD LYS A 26 -11.173 -3.091 -2.261 1.00 42.14 C ATOM 71 CE LYS A 26 -11.635 -3.900 -1.034 1.00 45.21 C ATOM 72 NZ LYS A 26 -10.755 -5.069 -0.768 1.00 51.10 N ATOM 0 H LYS A 26 -8.559 0.074 -1.458 1.00 50.33 H new ATOM 0 HA LYS A 26 -7.141 -1.890 -3.159 1.00 14.53 H new ATOM 0 HB2 LYS A 26 -9.989 -0.803 -3.318 1.00 42.34 H new ATOM 0 HB3 LYS A 26 -9.342 -2.180 -4.187 1.00 42.34 H new ATOM 0 HG2 LYS A 26 -9.049 -3.411 -2.045 1.00 22.12 H new ATOM 0 HG3 LYS A 26 -9.654 -2.027 -1.156 1.00 22.12 H new ATOM 0 HD2 LYS A 26 -11.850 -2.251 -2.417 1.00 42.14 H new ATOM 0 HD3 LYS A 26 -11.232 -3.718 -3.151 1.00 42.14 H new ATOM 0 HE2 LYS A 26 -11.650 -3.252 -0.158 1.00 45.21 H new ATOM 0 HE3 LYS A 26 -12.657 -4.245 -1.192 1.00 45.21 H new ATOM 0 HZ1 LYS A 26 -11.151 -5.631 0.012 1.00 51.10 H new ATOM 0 HZ2 LYS A 26 -10.693 -5.658 -1.623 1.00 51.10 H new ATOM 0 HZ3 LYS A 26 -9.805 -4.736 -0.508 1.00 51.10 H new ATOM 86 N LYS A 27 -6.958 -0.460 -5.281 1.00 53.13 N ATOM 87 CA LYS A 27 -6.544 0.441 -6.390 1.00 3.43 C ATOM 88 C LYS A 27 -7.762 1.213 -6.968 1.00 11.04 C ATOM 89 O LYS A 27 -7.667 2.408 -7.248 1.00 73.24 O ATOM 90 CB LYS A 27 -5.814 -0.387 -7.513 1.00 22.20 C ATOM 91 CG LYS A 27 -4.650 0.333 -8.265 1.00 5.33 C ATOM 92 CD LYS A 27 -5.076 1.536 -9.147 1.00 12.22 C ATOM 93 CE LYS A 27 -6.010 1.139 -10.306 1.00 53.24 C ATOM 94 NZ LYS A 27 -6.315 2.283 -11.194 1.00 33.23 N ATOM 0 H LYS A 27 -6.741 -1.442 -5.451 1.00 53.13 H new ATOM 0 HA LYS A 27 -5.847 1.180 -5.994 1.00 3.43 H new ATOM 0 HB2 LYS A 27 -5.418 -1.297 -7.063 1.00 22.20 H new ATOM 0 HB3 LYS A 27 -6.558 -0.693 -8.249 1.00 22.20 H new ATOM 0 HG2 LYS A 27 -3.925 0.681 -7.530 1.00 5.33 H new ATOM 0 HG3 LYS A 27 -4.140 -0.396 -8.895 1.00 5.33 H new ATOM 0 HD2 LYS A 27 -5.577 2.276 -8.523 1.00 12.22 H new ATOM 0 HD3 LYS A 27 -4.185 2.013 -9.554 1.00 12.22 H new ATOM 0 HE2 LYS A 27 -5.546 0.343 -10.888 1.00 53.24 H new ATOM 0 HE3 LYS A 27 -6.939 0.738 -9.901 1.00 53.24 H new ATOM 0 HZ1 LYS A 27 -7.231 2.126 -11.661 1.00 33.23 H new ATOM 0 HZ2 LYS A 27 -6.358 3.157 -10.632 1.00 33.23 H new ATOM 0 HZ3 LYS A 27 -5.570 2.371 -11.914 1.00 33.23 H new ATOM 108 N THR A 28 -8.898 0.507 -7.109 1.00 32.21 N ATOM 109 CA THR A 28 -10.140 1.059 -7.690 1.00 10.50 C ATOM 110 C THR A 28 -10.719 2.224 -6.844 1.00 73.42 C ATOM 111 O THR A 28 -11.144 3.249 -7.389 1.00 23.10 O ATOM 112 CB THR A 28 -11.209 -0.079 -7.884 1.00 23.03 C ATOM 113 OG1 THR A 28 -12.417 0.462 -8.438 1.00 52.40 O ATOM 114 CG2 THR A 28 -11.520 -0.840 -6.570 1.00 51.11 C ATOM 0 H THR A 28 -8.983 -0.468 -6.822 1.00 32.21 H new ATOM 0 HA THR A 28 -9.886 1.473 -8.666 1.00 10.50 H new ATOM 0 HB THR A 28 -10.779 -0.801 -8.577 1.00 23.03 H new ATOM 0 HG1 THR A 28 -13.073 -0.256 -8.555 1.00 52.40 H new ATOM 0 HG21 THR A 28 -12.264 -1.613 -6.764 1.00 51.11 H new ATOM 0 HG22 THR A 28 -10.608 -1.301 -6.192 1.00 51.11 H new ATOM 0 HG23 THR A 28 -11.908 -0.142 -5.828 1.00 51.11 H new ATOM 122 N ASP A 29 -10.695 2.065 -5.508 1.00 35.11 N ATOM 123 CA ASP A 29 -11.177 3.090 -4.556 1.00 4.45 C ATOM 124 C ASP A 29 -10.175 4.252 -4.499 1.00 75.21 C ATOM 125 O ASP A 29 -10.543 5.426 -4.605 1.00 74.51 O ATOM 126 CB ASP A 29 -11.351 2.458 -3.147 1.00 74.15 C ATOM 127 CG ASP A 29 -11.766 3.472 -2.055 1.00 11.32 C ATOM 128 OD1 ASP A 29 -12.926 3.927 -2.062 1.00 1.44 O ATOM 129 OD2 ASP A 29 -10.936 3.806 -1.181 1.00 50.24 O ATOM 0 H ASP A 29 -10.341 1.222 -5.055 1.00 35.11 H new ATOM 0 HA ASP A 29 -12.142 3.472 -4.890 1.00 4.45 H new ATOM 0 HB2 ASP A 29 -12.102 1.670 -3.203 1.00 74.15 H new ATOM 0 HB3 ASP A 29 -10.414 1.985 -2.853 1.00 74.15 H new ATOM 134 N PHE A 30 -8.903 3.863 -4.381 1.00 45.51 N ATOM 135 CA PHE A 30 -7.762 4.770 -4.210 1.00 32.15 C ATOM 136 C PHE A 30 -7.576 5.728 -5.405 1.00 0.32 C ATOM 137 O PHE A 30 -7.208 6.895 -5.215 1.00 22.30 O ATOM 138 CB PHE A 30 -6.484 3.914 -4.004 1.00 60.44 C ATOM 139 CG PHE A 30 -5.209 4.715 -3.868 1.00 65.42 C ATOM 140 CD1 PHE A 30 -4.850 5.269 -2.647 1.00 11.31 C ATOM 141 CD2 PHE A 30 -4.373 4.921 -4.964 1.00 21.32 C ATOM 142 CE1 PHE A 30 -3.702 5.998 -2.526 1.00 52.21 C ATOM 143 CE2 PHE A 30 -3.227 5.655 -4.838 1.00 0.23 C ATOM 144 CZ PHE A 30 -2.893 6.190 -3.617 1.00 21.21 C ATOM 0 H PHE A 30 -8.629 2.881 -4.402 1.00 45.51 H new ATOM 0 HA PHE A 30 -7.953 5.399 -3.341 1.00 32.15 H new ATOM 0 HB2 PHE A 30 -6.611 3.303 -3.111 1.00 60.44 H new ATOM 0 HB3 PHE A 30 -6.380 3.230 -4.846 1.00 60.44 H new ATOM 0 HD1 PHE A 30 -5.484 5.122 -1.785 1.00 11.31 H new ATOM 0 HD2 PHE A 30 -4.633 4.496 -5.922 1.00 21.32 H new ATOM 0 HE1 PHE A 30 -3.431 6.424 -1.571 1.00 52.21 H new ATOM 0 HE2 PHE A 30 -2.587 5.814 -5.694 1.00 0.23 H new ATOM 0 HZ PHE A 30 -1.986 6.767 -3.516 1.00 21.21 H new ATOM 154 N ASP A 31 -7.830 5.208 -6.623 1.00 22.42 N ATOM 155 CA ASP A 31 -7.579 5.920 -7.905 1.00 41.43 C ATOM 156 C ASP A 31 -8.194 7.336 -7.907 1.00 43.30 C ATOM 157 O ASP A 31 -7.539 8.314 -8.297 1.00 30.21 O ATOM 158 CB ASP A 31 -8.163 5.085 -9.079 1.00 55.35 C ATOM 159 CG ASP A 31 -7.764 5.599 -10.482 1.00 3.33 C ATOM 160 OD1 ASP A 31 -8.472 6.468 -11.039 1.00 51.22 O ATOM 161 OD2 ASP A 31 -6.753 5.118 -11.044 1.00 11.30 O ATOM 0 H ASP A 31 -8.219 4.274 -6.752 1.00 22.42 H new ATOM 0 HA ASP A 31 -6.502 6.033 -8.025 1.00 41.43 H new ATOM 0 HB2 ASP A 31 -7.832 4.052 -8.975 1.00 55.35 H new ATOM 0 HB3 ASP A 31 -9.250 5.081 -9.002 1.00 55.35 H new ATOM 166 N LYS A 32 -9.431 7.418 -7.392 1.00 11.14 N ATOM 167 CA LYS A 32 -10.219 8.668 -7.321 1.00 13.03 C ATOM 168 C LYS A 32 -9.471 9.788 -6.562 1.00 51.25 C ATOM 169 O LYS A 32 -9.572 10.968 -6.919 1.00 45.04 O ATOM 170 CB LYS A 32 -11.562 8.395 -6.606 1.00 55.14 C ATOM 171 CG LYS A 32 -12.370 7.203 -7.165 1.00 65.12 C ATOM 172 CD LYS A 32 -13.643 6.938 -6.337 1.00 23.50 C ATOM 173 CE LYS A 32 -14.425 5.695 -6.793 1.00 15.12 C ATOM 174 NZ LYS A 32 -15.625 5.492 -5.951 1.00 63.11 N ATOM 0 H LYS A 32 -9.922 6.611 -7.007 1.00 11.14 H new ATOM 0 HA LYS A 32 -10.386 9.004 -8.344 1.00 13.03 H new ATOM 0 HB2 LYS A 32 -11.364 8.216 -5.549 1.00 55.14 H new ATOM 0 HB3 LYS A 32 -12.178 9.292 -6.667 1.00 55.14 H new ATOM 0 HG2 LYS A 32 -12.645 7.403 -8.201 1.00 65.12 H new ATOM 0 HG3 LYS A 32 -11.745 6.310 -7.168 1.00 65.12 H new ATOM 0 HD2 LYS A 32 -13.367 6.819 -5.289 1.00 23.50 H new ATOM 0 HD3 LYS A 32 -14.294 7.810 -6.398 1.00 23.50 H new ATOM 0 HE2 LYS A 32 -14.722 5.809 -7.836 1.00 15.12 H new ATOM 0 HE3 LYS A 32 -13.783 4.816 -6.738 1.00 15.12 H new ATOM 0 HZ1 LYS A 32 -16.138 4.648 -6.276 1.00 63.11 H new ATOM 0 HZ2 LYS A 32 -15.336 5.362 -4.960 1.00 63.11 H new ATOM 0 HZ3 LYS A 32 -16.245 6.324 -6.024 1.00 63.11 H new ATOM 188 N VAL A 33 -8.710 9.398 -5.515 1.00 53.14 N ATOM 189 CA VAL A 33 -7.988 10.340 -4.637 1.00 23.13 C ATOM 190 C VAL A 33 -6.463 10.221 -4.834 1.00 45.20 C ATOM 191 O VAL A 33 -5.702 10.744 -4.016 1.00 21.25 O ATOM 192 CB VAL A 33 -8.369 10.104 -3.116 1.00 24.25 C ATOM 193 CG1 VAL A 33 -9.853 10.468 -2.841 1.00 2.12 C ATOM 194 CG2 VAL A 33 -8.074 8.640 -2.685 1.00 71.40 C ATOM 0 H VAL A 33 -8.580 8.420 -5.257 1.00 53.14 H new ATOM 0 HA VAL A 33 -8.291 11.350 -4.914 1.00 23.13 H new ATOM 0 HB VAL A 33 -7.745 10.767 -2.517 1.00 24.25 H new ATOM 0 HG11 VAL A 33 -10.081 10.295 -1.789 1.00 2.12 H new ATOM 0 HG12 VAL A 33 -10.020 11.518 -3.080 1.00 2.12 H new ATOM 0 HG13 VAL A 33 -10.501 9.847 -3.460 1.00 2.12 H new ATOM 0 HG21 VAL A 33 -8.345 8.507 -1.638 1.00 71.40 H new ATOM 0 HG22 VAL A 33 -8.657 7.955 -3.300 1.00 71.40 H new ATOM 0 HG23 VAL A 33 -7.012 8.429 -2.815 1.00 71.40 H new ATOM 204 N ALA A 34 -6.023 9.588 -5.952 1.00 65.13 N ATOM 205 CA ALA A 34 -4.578 9.349 -6.213 1.00 45.03 C ATOM 206 C ALA A 34 -3.756 10.662 -6.273 1.00 3.51 C ATOM 207 O ALA A 34 -2.562 10.660 -5.963 1.00 70.34 O ATOM 208 CB ALA A 34 -4.400 8.550 -7.508 1.00 3.11 C ATOM 0 H ALA A 34 -6.642 9.236 -6.682 1.00 65.13 H new ATOM 0 HA ALA A 34 -4.193 8.772 -5.372 1.00 45.03 H new ATOM 0 HB1 ALA A 34 -3.338 8.381 -7.688 1.00 3.11 H new ATOM 0 HB2 ALA A 34 -4.909 7.591 -7.417 1.00 3.11 H new ATOM 0 HB3 ALA A 34 -4.825 9.109 -8.342 1.00 3.11 H new ATOM 214 N SER A 35 -4.418 11.777 -6.649 1.00 3.13 N ATOM 215 CA SER A 35 -3.788 13.119 -6.706 1.00 22.15 C ATOM 216 C SER A 35 -3.317 13.601 -5.318 1.00 74.14 C ATOM 217 O SER A 35 -2.350 14.365 -5.213 1.00 55.23 O ATOM 218 CB SER A 35 -4.764 14.140 -7.321 1.00 52.32 C ATOM 219 OG SER A 35 -5.155 13.730 -8.619 1.00 1.54 O ATOM 0 H SER A 35 -5.401 11.775 -6.921 1.00 3.13 H new ATOM 0 HA SER A 35 -2.904 13.036 -7.338 1.00 22.15 H new ATOM 0 HB2 SER A 35 -5.643 14.241 -6.685 1.00 52.32 H new ATOM 0 HB3 SER A 35 -4.291 15.121 -7.370 1.00 52.32 H new ATOM 0 HG SER A 35 -5.776 14.387 -8.996 1.00 1.54 H new ATOM 225 N GLU A 36 -3.998 13.118 -4.267 1.00 15.15 N ATOM 226 CA GLU A 36 -3.664 13.423 -2.864 1.00 65.22 C ATOM 227 C GLU A 36 -2.513 12.538 -2.346 1.00 60.03 C ATOM 228 O GLU A 36 -2.161 12.629 -1.171 1.00 10.51 O ATOM 229 CB GLU A 36 -4.927 13.231 -1.974 1.00 44.10 C ATOM 230 CG GLU A 36 -5.997 14.324 -2.128 1.00 0.45 C ATOM 231 CD GLU A 36 -5.505 15.698 -1.630 1.00 64.30 C ATOM 232 OE1 GLU A 36 -5.439 15.893 -0.396 1.00 44.21 O ATOM 233 OE2 GLU A 36 -5.175 16.574 -2.461 1.00 4.31 O ATOM 0 H GLU A 36 -4.803 12.499 -4.366 1.00 15.15 H new ATOM 0 HA GLU A 36 -3.330 14.459 -2.813 1.00 65.22 H new ATOM 0 HB2 GLU A 36 -5.377 12.266 -2.209 1.00 44.10 H new ATOM 0 HB3 GLU A 36 -4.616 13.191 -0.930 1.00 44.10 H new ATOM 0 HG2 GLU A 36 -6.286 14.402 -3.176 1.00 0.45 H new ATOM 0 HG3 GLU A 36 -6.890 14.037 -1.572 1.00 0.45 H new ATOM 240 N TYR A 37 -1.948 11.657 -3.210 1.00 33.51 N ATOM 241 CA TYR A 37 -0.899 10.701 -2.806 1.00 72.41 C ATOM 242 C TYR A 37 0.240 10.669 -3.831 1.00 51.12 C ATOM 243 O TYR A 37 0.065 11.041 -5.000 1.00 14.40 O ATOM 244 CB TYR A 37 -1.510 9.291 -2.603 1.00 33.04 C ATOM 245 CG TYR A 37 -2.586 9.267 -1.508 1.00 72.44 C ATOM 246 CD1 TYR A 37 -2.238 9.195 -0.163 1.00 24.41 C ATOM 247 CD2 TYR A 37 -3.947 9.377 -1.818 1.00 64.03 C ATOM 248 CE1 TYR A 37 -3.193 9.234 0.826 1.00 34.44 C ATOM 249 CE2 TYR A 37 -4.903 9.406 -0.829 1.00 30.21 C ATOM 250 CZ TYR A 37 -4.519 9.335 0.492 1.00 73.32 C ATOM 251 OH TYR A 37 -5.467 9.380 1.482 1.00 64.35 O ATOM 0 H TYR A 37 -2.207 11.593 -4.195 1.00 33.51 H new ATOM 0 HA TYR A 37 -0.476 11.031 -1.857 1.00 72.41 H new ATOM 0 HB2 TYR A 37 -1.945 8.949 -3.542 1.00 33.04 H new ATOM 0 HB3 TYR A 37 -0.717 8.589 -2.344 1.00 33.04 H new ATOM 0 HD1 TYR A 37 -1.197 9.107 0.110 1.00 24.41 H new ATOM 0 HD2 TYR A 37 -4.252 9.440 -2.852 1.00 64.03 H new ATOM 0 HE1 TYR A 37 -2.899 9.185 1.864 1.00 34.44 H new ATOM 0 HE2 TYR A 37 -5.949 9.484 -1.087 1.00 30.21 H new ATOM 0 HH TYR A 37 -6.357 9.453 1.079 1.00 64.35 H new ATOM 261 N THR A 38 1.410 10.226 -3.358 1.00 33.44 N ATOM 262 CA THR A 38 2.643 10.175 -4.134 1.00 31.21 C ATOM 263 C THR A 38 3.290 8.793 -3.932 1.00 41.13 C ATOM 264 O THR A 38 3.545 8.375 -2.797 1.00 52.52 O ATOM 265 CB THR A 38 3.607 11.349 -3.718 1.00 64.15 C ATOM 266 OG1 THR A 38 4.773 11.353 -4.555 1.00 72.22 O ATOM 267 CG2 THR A 38 4.031 11.308 -2.235 1.00 72.32 C ATOM 0 H THR A 38 1.523 9.886 -2.403 1.00 33.44 H new ATOM 0 HA THR A 38 2.430 10.309 -5.194 1.00 31.21 H new ATOM 0 HB THR A 38 3.039 12.269 -3.854 1.00 64.15 H new ATOM 0 HG1 THR A 38 5.364 12.088 -4.289 1.00 72.22 H new ATOM 0 HG21 THR A 38 4.694 12.147 -2.023 1.00 72.32 H new ATOM 0 HG22 THR A 38 3.146 11.375 -1.602 1.00 72.32 H new ATOM 0 HG23 THR A 38 4.553 10.373 -2.031 1.00 72.32 H new ATOM 275 N LYS A 39 3.489 8.053 -5.037 1.00 41.14 N ATOM 276 CA LYS A 39 4.037 6.689 -4.993 1.00 31.02 C ATOM 277 C LYS A 39 5.530 6.735 -4.656 1.00 63.01 C ATOM 278 O LYS A 39 6.334 7.263 -5.439 1.00 4.51 O ATOM 279 CB LYS A 39 3.805 5.978 -6.342 1.00 52.30 C ATOM 280 CG LYS A 39 4.129 4.470 -6.336 1.00 15.00 C ATOM 281 CD LYS A 39 3.815 3.799 -7.691 1.00 2.44 C ATOM 282 CE LYS A 39 4.244 2.330 -7.731 1.00 20.01 C ATOM 283 NZ LYS A 39 5.699 2.174 -7.488 1.00 21.53 N ATOM 0 H LYS A 39 3.276 8.382 -5.979 1.00 41.14 H new ATOM 0 HA LYS A 39 3.523 6.124 -4.215 1.00 31.02 H new ATOM 0 HB2 LYS A 39 2.763 6.111 -6.634 1.00 52.30 H new ATOM 0 HB3 LYS A 39 4.414 6.464 -7.104 1.00 52.30 H new ATOM 0 HG2 LYS A 39 5.183 4.328 -6.098 1.00 15.00 H new ATOM 0 HG3 LYS A 39 3.556 3.980 -5.549 1.00 15.00 H new ATOM 0 HD2 LYS A 39 2.745 3.867 -7.887 1.00 2.44 H new ATOM 0 HD3 LYS A 39 4.321 4.344 -8.488 1.00 2.44 H new ATOM 0 HE2 LYS A 39 3.688 1.768 -6.980 1.00 20.01 H new ATOM 0 HE3 LYS A 39 3.990 1.903 -8.701 1.00 20.01 H new ATOM 0 HZ1 LYS A 39 5.923 1.167 -7.354 1.00 21.53 H new ATOM 0 HZ2 LYS A 39 6.229 2.541 -8.304 1.00 21.53 H new ATOM 0 HZ3 LYS A 39 5.967 2.704 -6.635 1.00 21.53 H new ATOM 297 N ILE A 40 5.888 6.181 -3.489 1.00 0.14 N ATOM 298 CA ILE A 40 7.272 6.203 -2.993 1.00 54.55 C ATOM 299 C ILE A 40 7.998 4.886 -3.305 1.00 32.11 C ATOM 300 O ILE A 40 9.224 4.801 -3.162 1.00 5.52 O ATOM 301 CB ILE A 40 7.337 6.505 -1.452 1.00 51.40 C ATOM 302 CG1 ILE A 40 6.611 5.403 -0.612 1.00 23.33 C ATOM 303 CG2 ILE A 40 6.751 7.910 -1.154 1.00 72.24 C ATOM 304 CD1 ILE A 40 6.876 5.472 0.882 1.00 4.14 C ATOM 0 H ILE A 40 5.233 5.709 -2.866 1.00 0.14 H new ATOM 0 HA ILE A 40 7.780 7.013 -3.517 1.00 54.55 H new ATOM 0 HB ILE A 40 8.385 6.494 -1.154 1.00 51.40 H new ATOM 0 HG12 ILE A 40 5.537 5.483 -0.782 1.00 23.33 H new ATOM 0 HG13 ILE A 40 6.919 4.424 -0.978 1.00 23.33 H new ATOM 0 HG21 ILE A 40 6.802 8.106 -0.083 1.00 72.24 H new ATOM 0 HG22 ILE A 40 7.327 8.665 -1.689 1.00 72.24 H new ATOM 0 HG23 ILE A 40 5.712 7.947 -1.480 1.00 72.24 H new ATOM 0 HD11 ILE A 40 6.333 4.672 1.385 1.00 4.14 H new ATOM 0 HD12 ILE A 40 7.944 5.359 1.068 1.00 4.14 H new ATOM 0 HD13 ILE A 40 6.541 6.435 1.267 1.00 4.14 H new ATOM 316 N GLY A 41 7.233 3.861 -3.718 1.00 72.51 N ATOM 317 CA GLY A 41 7.792 2.552 -4.036 1.00 61.31 C ATOM 318 C GLY A 41 6.728 1.490 -4.229 1.00 43.21 C ATOM 319 O GLY A 41 5.524 1.791 -4.258 1.00 71.14 O ATOM 0 H GLY A 41 6.222 3.923 -3.837 1.00 72.51 H new ATOM 0 HA2 GLY A 41 8.391 2.629 -4.943 1.00 61.31 H new ATOM 0 HA3 GLY A 41 8.464 2.245 -3.235 1.00 61.31 H new ATOM 323 N THR A 42 7.189 0.251 -4.417 1.00 33.04 N ATOM 324 CA THR A 42 6.345 -0.951 -4.423 1.00 54.14 C ATOM 325 C THR A 42 7.041 -2.028 -3.572 1.00 1.24 C ATOM 326 O THR A 42 8.251 -2.242 -3.720 1.00 0.04 O ATOM 327 CB THR A 42 6.108 -1.488 -5.878 1.00 3.40 C ATOM 328 OG1 THR A 42 5.528 -0.457 -6.678 1.00 52.30 O ATOM 329 CG2 THR A 42 5.182 -2.725 -5.904 1.00 33.44 C ATOM 0 H THR A 42 8.177 0.049 -4.572 1.00 33.04 H new ATOM 0 HA THR A 42 5.368 -0.701 -4.010 1.00 54.14 H new ATOM 0 HB THR A 42 7.078 -1.787 -6.276 1.00 3.40 H new ATOM 0 HG1 THR A 42 4.602 -0.693 -6.895 1.00 52.30 H new ATOM 0 HG21 THR A 42 5.049 -3.058 -6.933 1.00 33.44 H new ATOM 0 HG22 THR A 42 5.630 -3.527 -5.318 1.00 33.44 H new ATOM 0 HG23 THR A 42 4.213 -2.463 -5.480 1.00 33.44 H new ATOM 337 N ILE A 43 6.280 -2.685 -2.678 1.00 21.51 N ATOM 338 CA ILE A 43 6.788 -3.785 -1.831 1.00 21.44 C ATOM 339 C ILE A 43 6.080 -5.093 -2.201 1.00 12.31 C ATOM 340 O ILE A 43 5.058 -5.080 -2.904 1.00 32.32 O ATOM 341 CB ILE A 43 6.599 -3.487 -0.295 1.00 13.52 C ATOM 342 CG1 ILE A 43 5.092 -3.245 0.030 1.00 11.33 C ATOM 343 CG2 ILE A 43 7.480 -2.289 0.150 1.00 44.34 C ATOM 344 CD1 ILE A 43 4.793 -2.977 1.485 1.00 74.03 C ATOM 0 H ILE A 43 5.295 -2.470 -2.521 1.00 21.51 H new ATOM 0 HA ILE A 43 7.858 -3.877 -2.016 1.00 21.44 H new ATOM 0 HB ILE A 43 6.928 -4.358 0.271 1.00 13.52 H new ATOM 0 HG12 ILE A 43 4.739 -2.400 -0.561 1.00 11.33 H new ATOM 0 HG13 ILE A 43 4.521 -4.117 -0.289 1.00 11.33 H new ATOM 0 HG21 ILE A 43 7.331 -2.104 1.214 1.00 44.34 H new ATOM 0 HG22 ILE A 43 8.529 -2.520 -0.035 1.00 44.34 H new ATOM 0 HG23 ILE A 43 7.199 -1.401 -0.416 1.00 44.34 H new ATOM 0 HD11 ILE A 43 3.722 -2.821 1.614 1.00 74.03 H new ATOM 0 HD12 ILE A 43 5.110 -3.830 2.085 1.00 74.03 H new ATOM 0 HD13 ILE A 43 5.331 -2.086 1.809 1.00 74.03 H new ATOM 356 N SER A 44 6.630 -6.214 -1.717 1.00 72.34 N ATOM 357 CA SER A 44 6.089 -7.552 -1.981 1.00 13.40 C ATOM 358 C SER A 44 6.525 -8.528 -0.888 1.00 73.32 C ATOM 359 O SER A 44 7.499 -8.276 -0.168 1.00 23.22 O ATOM 360 CB SER A 44 6.554 -8.060 -3.370 1.00 61.31 C ATOM 361 OG SER A 44 5.955 -9.305 -3.717 1.00 32.13 O ATOM 0 H SER A 44 7.464 -6.218 -1.130 1.00 72.34 H new ATOM 0 HA SER A 44 5.001 -7.490 -1.980 1.00 13.40 H new ATOM 0 HB2 SER A 44 6.307 -7.317 -4.128 1.00 61.31 H new ATOM 0 HB3 SER A 44 7.639 -8.168 -3.371 1.00 61.31 H new ATOM 0 HG SER A 44 5.234 -9.152 -4.363 1.00 32.13 H new ATOM 367 N THR A 45 5.789 -9.636 -0.775 1.00 14.42 N ATOM 368 CA THR A 45 6.147 -10.765 0.084 1.00 5.13 C ATOM 369 C THR A 45 6.843 -11.863 -0.760 1.00 74.53 C ATOM 370 O THR A 45 6.722 -11.878 -1.998 1.00 14.45 O ATOM 371 CB THR A 45 4.872 -11.350 0.771 1.00 73.14 C ATOM 372 OG1 THR A 45 3.987 -11.887 -0.221 1.00 63.52 O ATOM 373 CG2 THR A 45 4.110 -10.292 1.600 1.00 74.33 C ATOM 0 H THR A 45 4.916 -9.775 -1.285 1.00 14.42 H new ATOM 0 HA THR A 45 6.831 -10.417 0.858 1.00 5.13 H new ATOM 0 HB THR A 45 5.208 -12.133 1.451 1.00 73.14 H new ATOM 0 HG1 THR A 45 4.141 -12.851 -0.310 1.00 63.52 H new ATOM 0 HG21 THR A 45 3.233 -10.750 2.056 1.00 74.33 H new ATOM 0 HG22 THR A 45 4.763 -9.902 2.381 1.00 74.33 H new ATOM 0 HG23 THR A 45 3.796 -9.476 0.949 1.00 74.33 H new ATOM 381 N THR A 46 7.597 -12.746 -0.089 1.00 41.22 N ATOM 382 CA THR A 46 8.184 -13.942 -0.709 1.00 70.21 C ATOM 383 C THR A 46 7.172 -15.093 -0.591 1.00 72.20 C ATOM 384 O THR A 46 7.004 -15.677 0.489 1.00 65.43 O ATOM 385 CB THR A 46 9.541 -14.328 -0.029 1.00 72.53 C ATOM 386 OG1 THR A 46 10.439 -13.214 -0.099 1.00 40.23 O ATOM 387 CG2 THR A 46 10.205 -15.558 -0.684 1.00 63.11 C ATOM 0 H THR A 46 7.817 -12.650 0.902 1.00 41.22 H new ATOM 0 HA THR A 46 8.399 -13.738 -1.758 1.00 70.21 H new ATOM 0 HB THR A 46 9.323 -14.587 1.007 1.00 72.53 H new ATOM 0 HG1 THR A 46 11.289 -13.452 0.327 1.00 40.23 H new ATOM 0 HG21 THR A 46 11.142 -15.781 -0.173 1.00 63.11 H new ATOM 0 HG22 THR A 46 9.537 -16.416 -0.608 1.00 63.11 H new ATOM 0 HG23 THR A 46 10.406 -15.347 -1.734 1.00 63.11 H new ATOM 395 N GLY A 47 6.461 -15.363 -1.696 1.00 63.40 N ATOM 396 CA GLY A 47 5.435 -16.404 -1.729 1.00 24.03 C ATOM 397 C GLY A 47 4.078 -15.905 -1.251 1.00 22.10 C ATOM 398 O GLY A 47 3.914 -14.722 -0.927 1.00 63.53 O ATOM 0 H GLY A 47 6.582 -14.869 -2.580 1.00 63.40 H new ATOM 0 HA2 GLY A 47 5.341 -16.784 -2.746 1.00 24.03 H new ATOM 0 HA3 GLY A 47 5.751 -17.240 -1.105 1.00 24.03 H new ATOM 402 N GLU A 48 3.107 -16.825 -1.210 1.00 4.23 N ATOM 403 CA GLU A 48 1.712 -16.525 -0.848 1.00 71.15 C ATOM 404 C GLU A 48 1.418 -16.977 0.590 1.00 24.10 C ATOM 405 O GLU A 48 1.757 -18.102 0.978 1.00 64.31 O ATOM 406 CB GLU A 48 0.770 -17.255 -1.830 1.00 53.13 C ATOM 407 CG GLU A 48 0.975 -16.853 -3.298 1.00 1.23 C ATOM 408 CD GLU A 48 0.227 -17.754 -4.290 1.00 12.31 C ATOM 409 OE1 GLU A 48 -0.944 -17.467 -4.616 1.00 51.41 O ATOM 410 OE2 GLU A 48 0.805 -18.766 -4.743 1.00 15.21 O ATOM 0 H GLU A 48 3.267 -17.808 -1.429 1.00 4.23 H new ATOM 0 HA GLU A 48 1.550 -15.449 -0.908 1.00 71.15 H new ATOM 0 HB2 GLU A 48 0.921 -18.330 -1.733 1.00 53.13 H new ATOM 0 HB3 GLU A 48 -0.263 -17.051 -1.548 1.00 53.13 H new ATOM 0 HG2 GLU A 48 0.644 -15.823 -3.434 1.00 1.23 H new ATOM 0 HG3 GLU A 48 2.040 -16.879 -3.528 1.00 1.23 H new ATOM 417 N MET A 49 0.801 -16.078 1.364 1.00 74.12 N ATOM 418 CA MET A 49 0.217 -16.371 2.685 1.00 14.02 C ATOM 419 C MET A 49 -1.287 -16.045 2.635 1.00 52.51 C ATOM 420 O MET A 49 -1.818 -15.662 1.578 1.00 4.31 O ATOM 421 CB MET A 49 0.933 -15.550 3.810 1.00 55.24 C ATOM 422 CG MET A 49 0.973 -14.024 3.583 1.00 61.23 C ATOM 423 SD MET A 49 2.082 -13.539 2.239 1.00 60.24 S ATOM 424 CE MET A 49 3.674 -14.020 2.913 1.00 13.12 C ATOM 0 H MET A 49 0.689 -15.103 1.087 1.00 74.12 H new ATOM 0 HA MET A 49 0.356 -17.426 2.922 1.00 14.02 H new ATOM 0 HB2 MET A 49 0.432 -15.748 4.757 1.00 55.24 H new ATOM 0 HB3 MET A 49 1.956 -15.914 3.909 1.00 55.24 H new ATOM 0 HG2 MET A 49 -0.034 -13.668 3.363 1.00 61.23 H new ATOM 0 HG3 MET A 49 1.290 -13.533 4.503 1.00 61.23 H new ATOM 0 HE1 MET A 49 4.272 -13.129 3.104 1.00 13.12 H new ATOM 0 HE2 MET A 49 3.525 -14.564 3.846 1.00 13.12 H new ATOM 0 HE3 MET A 49 4.193 -14.660 2.199 1.00 13.12 H new ATOM 434 N SER A 50 -1.965 -16.220 3.784 1.00 30.44 N ATOM 435 CA SER A 50 -3.369 -15.826 3.957 1.00 62.04 C ATOM 436 C SER A 50 -3.491 -14.295 3.794 1.00 14.01 C ATOM 437 O SER A 50 -2.623 -13.569 4.291 1.00 12.01 O ATOM 438 CB SER A 50 -3.866 -16.278 5.346 1.00 40.50 C ATOM 439 OG SER A 50 -3.668 -17.670 5.534 1.00 43.33 O ATOM 0 H SER A 50 -1.552 -16.639 4.617 1.00 30.44 H new ATOM 0 HA SER A 50 -3.989 -16.307 3.200 1.00 62.04 H new ATOM 0 HB2 SER A 50 -3.337 -15.725 6.122 1.00 40.50 H new ATOM 0 HB3 SER A 50 -4.925 -16.041 5.451 1.00 40.50 H new ATOM 0 HG SER A 50 -3.990 -17.929 6.423 1.00 43.33 H new ATOM 445 N PRO A 51 -4.560 -13.775 3.105 1.00 22.54 N ATOM 446 CA PRO A 51 -4.614 -12.360 2.664 1.00 52.05 C ATOM 447 C PRO A 51 -4.596 -11.355 3.832 1.00 22.45 C ATOM 448 O PRO A 51 -4.169 -10.224 3.653 1.00 63.01 O ATOM 449 CB PRO A 51 -5.935 -12.275 1.859 1.00 43.25 C ATOM 450 CG PRO A 51 -6.772 -13.399 2.375 1.00 44.32 C ATOM 451 CD PRO A 51 -5.804 -14.503 2.740 1.00 64.34 C ATOM 0 HA PRO A 51 -3.735 -12.090 2.079 1.00 52.05 H new ATOM 0 HB2 PRO A 51 -6.428 -11.314 2.009 1.00 43.25 H new ATOM 0 HB3 PRO A 51 -5.753 -12.377 0.789 1.00 43.25 H new ATOM 0 HG2 PRO A 51 -7.353 -13.087 3.242 1.00 44.32 H new ATOM 0 HG3 PRO A 51 -7.482 -13.736 1.620 1.00 44.32 H new ATOM 0 HD2 PRO A 51 -6.175 -15.103 3.571 1.00 64.34 H new ATOM 0 HD3 PRO A 51 -5.639 -15.183 1.905 1.00 64.34 H new ATOM 459 N LEU A 52 -5.053 -11.784 5.025 1.00 31.21 N ATOM 460 CA LEU A 52 -5.043 -10.938 6.241 1.00 71.11 C ATOM 461 C LEU A 52 -3.596 -10.752 6.730 1.00 12.41 C ATOM 462 O LEU A 52 -3.179 -9.633 7.024 1.00 21.24 O ATOM 463 CB LEU A 52 -5.930 -11.542 7.377 1.00 4.22 C ATOM 464 CG LEU A 52 -7.475 -11.610 7.126 1.00 40.44 C ATOM 465 CD1 LEU A 52 -8.043 -10.236 6.724 1.00 3.11 C ATOM 466 CD2 LEU A 52 -7.851 -12.705 6.103 1.00 42.13 C ATOM 0 H LEU A 52 -5.437 -12.717 5.175 1.00 31.21 H new ATOM 0 HA LEU A 52 -5.467 -9.968 5.981 1.00 71.11 H new ATOM 0 HB2 LEU A 52 -5.577 -12.553 7.579 1.00 4.22 H new ATOM 0 HB3 LEU A 52 -5.761 -10.959 8.282 1.00 4.22 H new ATOM 0 HG LEU A 52 -7.939 -11.891 8.072 1.00 40.44 H new ATOM 0 HD11 LEU A 52 -9.117 -10.321 6.558 1.00 3.11 H new ATOM 0 HD12 LEU A 52 -7.855 -9.517 7.521 1.00 3.11 H new ATOM 0 HD13 LEU A 52 -7.560 -9.896 5.808 1.00 3.11 H new ATOM 0 HD21 LEU A 52 -8.932 -12.715 5.961 1.00 42.13 H new ATOM 0 HD22 LEU A 52 -7.362 -12.497 5.151 1.00 42.13 H new ATOM 0 HD23 LEU A 52 -7.525 -13.677 6.474 1.00 42.13 H new ATOM 478 N ASP A 53 -2.832 -11.860 6.752 1.00 31.52 N ATOM 479 CA ASP A 53 -1.403 -11.862 7.147 1.00 63.51 C ATOM 480 C ASP A 53 -0.557 -11.070 6.127 1.00 44.41 C ATOM 481 O ASP A 53 0.399 -10.377 6.501 1.00 2.21 O ATOM 482 CB ASP A 53 -0.899 -13.324 7.254 1.00 52.02 C ATOM 483 CG ASP A 53 0.537 -13.445 7.797 1.00 11.25 C ATOM 484 OD1 ASP A 53 0.715 -13.557 9.032 1.00 33.53 O ATOM 485 OD2 ASP A 53 1.499 -13.451 6.993 1.00 15.23 O ATOM 0 H ASP A 53 -3.185 -12.782 6.497 1.00 31.52 H new ATOM 0 HA ASP A 53 -1.300 -11.377 8.118 1.00 63.51 H new ATOM 0 HB2 ASP A 53 -1.572 -13.884 7.903 1.00 52.02 H new ATOM 0 HB3 ASP A 53 -0.946 -13.788 6.269 1.00 52.02 H new ATOM 490 N ALA A 54 -0.943 -11.194 4.839 1.00 74.33 N ATOM 491 CA ALA A 54 -0.334 -10.448 3.721 1.00 3.42 C ATOM 492 C ALA A 54 -0.533 -8.938 3.921 1.00 64.12 C ATOM 493 O ALA A 54 0.420 -8.171 3.814 1.00 34.44 O ATOM 494 CB ALA A 54 -0.923 -10.925 2.371 1.00 3.24 C ATOM 0 H ALA A 54 -1.693 -11.820 4.545 1.00 74.33 H new ATOM 0 HA ALA A 54 0.738 -10.645 3.703 1.00 3.42 H new ATOM 0 HB1 ALA A 54 -0.464 -10.366 1.556 1.00 3.24 H new ATOM 0 HB2 ALA A 54 -0.720 -11.988 2.241 1.00 3.24 H new ATOM 0 HB3 ALA A 54 -2.000 -10.758 2.365 1.00 3.24 H new ATOM 500 N ARG A 55 -1.775 -8.549 4.294 1.00 3.34 N ATOM 501 CA ARG A 55 -2.130 -7.150 4.608 1.00 5.31 C ATOM 502 C ARG A 55 -1.234 -6.593 5.706 1.00 64.52 C ATOM 503 O ARG A 55 -0.606 -5.576 5.508 1.00 64.21 O ATOM 504 CB ARG A 55 -3.612 -7.034 5.051 1.00 54.11 C ATOM 505 CG ARG A 55 -4.618 -7.192 3.908 1.00 22.34 C ATOM 506 CD ARG A 55 -6.072 -7.148 4.387 1.00 44.31 C ATOM 507 NE ARG A 55 -7.009 -7.296 3.259 1.00 50.13 N ATOM 508 CZ ARG A 55 -7.574 -8.445 2.869 1.00 51.43 C ATOM 509 NH1 ARG A 55 -7.315 -9.582 3.502 1.00 2.55 N ATOM 510 NH2 ARG A 55 -8.382 -8.463 1.825 1.00 1.34 N ATOM 0 H ARG A 55 -2.557 -9.198 4.385 1.00 3.34 H new ATOM 0 HA ARG A 55 -1.985 -6.569 3.697 1.00 5.31 H new ATOM 0 HB2 ARG A 55 -3.815 -7.792 5.807 1.00 54.11 H new ATOM 0 HB3 ARG A 55 -3.764 -6.064 5.524 1.00 54.11 H new ATOM 0 HG2 ARG A 55 -4.457 -6.400 3.176 1.00 22.34 H new ATOM 0 HG3 ARG A 55 -4.437 -8.138 3.399 1.00 22.34 H new ATOM 0 HD2 ARG A 55 -6.243 -7.944 5.112 1.00 44.31 H new ATOM 0 HD3 ARG A 55 -6.261 -6.204 4.899 1.00 44.31 H new ATOM 0 HE ARG A 55 -7.246 -6.455 2.733 1.00 50.13 H new ATOM 0 HH11 ARG A 55 -6.677 -9.589 4.298 1.00 2.55 H new ATOM 0 HH12 ARG A 55 -7.754 -10.449 3.193 1.00 2.55 H new ATOM 0 HH21 ARG A 55 -8.576 -7.601 1.315 1.00 1.34 H new ATOM 0 HH22 ARG A 55 -8.812 -9.339 1.528 1.00 1.34 H new ATOM 524 N GLU A 56 -1.152 -7.326 6.830 1.00 40.02 N ATOM 525 CA GLU A 56 -0.397 -6.909 8.030 1.00 50.24 C ATOM 526 C GLU A 56 1.101 -6.741 7.728 1.00 34.45 C ATOM 527 O GLU A 56 1.725 -5.773 8.191 1.00 22.42 O ATOM 528 CB GLU A 56 -0.615 -7.942 9.161 1.00 52.23 C ATOM 529 CG GLU A 56 -2.085 -8.082 9.603 1.00 21.35 C ATOM 530 CD GLU A 56 -2.318 -9.215 10.618 1.00 3.13 C ATOM 531 OE1 GLU A 56 -2.539 -10.370 10.200 1.00 42.21 O ATOM 532 OE2 GLU A 56 -2.280 -8.951 11.841 1.00 41.42 O ATOM 0 H GLU A 56 -1.610 -8.231 6.934 1.00 40.02 H new ATOM 0 HA GLU A 56 -0.770 -5.937 8.351 1.00 50.24 H new ATOM 0 HB2 GLU A 56 -0.252 -8.914 8.827 1.00 52.23 H new ATOM 0 HB3 GLU A 56 -0.012 -7.655 10.023 1.00 52.23 H new ATOM 0 HG2 GLU A 56 -2.415 -7.140 10.041 1.00 21.35 H new ATOM 0 HG3 GLU A 56 -2.705 -8.260 8.724 1.00 21.35 H new ATOM 539 N ASP A 57 1.658 -7.667 6.924 1.00 42.53 N ATOM 540 CA ASP A 57 3.067 -7.607 6.524 1.00 70.52 C ATOM 541 C ASP A 57 3.325 -6.375 5.642 1.00 70.52 C ATOM 542 O ASP A 57 4.284 -5.646 5.860 1.00 72.00 O ATOM 543 CB ASP A 57 3.481 -8.886 5.768 1.00 35.32 C ATOM 544 CG ASP A 57 4.996 -8.941 5.503 1.00 60.51 C ATOM 545 OD1 ASP A 57 5.763 -9.189 6.459 1.00 43.45 O ATOM 546 OD2 ASP A 57 5.437 -8.745 4.351 1.00 74.35 O ATOM 0 H ASP A 57 1.149 -8.464 6.541 1.00 42.53 H new ATOM 0 HA ASP A 57 3.668 -7.528 7.430 1.00 70.52 H new ATOM 0 HB2 ASP A 57 3.183 -9.760 6.347 1.00 35.32 H new ATOM 0 HB3 ASP A 57 2.946 -8.934 4.819 1.00 35.32 H new ATOM 551 N LEU A 58 2.430 -6.146 4.668 1.00 61.24 N ATOM 552 CA LEU A 58 2.556 -5.027 3.716 1.00 15.30 C ATOM 553 C LEU A 58 2.302 -3.658 4.403 1.00 30.33 C ATOM 554 O LEU A 58 2.927 -2.667 4.034 1.00 71.35 O ATOM 555 CB LEU A 58 1.633 -5.269 2.491 1.00 10.23 C ATOM 556 CG LEU A 58 1.984 -6.548 1.644 1.00 42.43 C ATOM 557 CD1 LEU A 58 0.930 -6.828 0.558 1.00 61.24 C ATOM 558 CD2 LEU A 58 3.402 -6.467 1.026 1.00 53.15 C ATOM 0 H LEU A 58 1.604 -6.725 4.517 1.00 61.24 H new ATOM 0 HA LEU A 58 3.583 -4.987 3.352 1.00 15.30 H new ATOM 0 HB2 LEU A 58 0.604 -5.353 2.840 1.00 10.23 H new ATOM 0 HB3 LEU A 58 1.679 -4.396 1.841 1.00 10.23 H new ATOM 0 HG LEU A 58 1.975 -7.387 2.340 1.00 42.43 H new ATOM 0 HD11 LEU A 58 1.213 -7.719 -0.002 1.00 61.24 H new ATOM 0 HD12 LEU A 58 -0.042 -6.986 1.026 1.00 61.24 H new ATOM 0 HD13 LEU A 58 0.871 -5.977 -0.120 1.00 61.24 H new ATOM 0 HD21 LEU A 58 3.600 -7.371 0.450 1.00 53.15 H new ATOM 0 HD22 LEU A 58 3.464 -5.599 0.370 1.00 53.15 H new ATOM 0 HD23 LEU A 58 4.141 -6.374 1.822 1.00 53.15 H new ATOM 570 N ILE A 59 1.426 -3.631 5.434 1.00 71.14 N ATOM 571 CA ILE A 59 1.238 -2.450 6.322 1.00 52.23 C ATOM 572 C ILE A 59 2.557 -2.128 7.036 1.00 34.32 C ATOM 573 O ILE A 59 3.030 -0.991 6.994 1.00 71.20 O ATOM 574 CB ILE A 59 0.108 -2.687 7.411 1.00 30.34 C ATOM 575 CG1 ILE A 59 -1.296 -2.819 6.755 1.00 11.34 C ATOM 576 CG2 ILE A 59 0.094 -1.568 8.489 1.00 71.55 C ATOM 577 CD1 ILE A 59 -2.398 -3.306 7.695 1.00 75.33 C ATOM 0 H ILE A 59 0.830 -4.422 5.677 1.00 71.14 H new ATOM 0 HA ILE A 59 0.927 -1.618 5.691 1.00 52.23 H new ATOM 0 HB ILE A 59 0.347 -3.627 7.907 1.00 30.34 H new ATOM 0 HG12 ILE A 59 -1.585 -1.849 6.350 1.00 11.34 H new ATOM 0 HG13 ILE A 59 -1.225 -3.508 5.913 1.00 11.34 H new ATOM 0 HG21 ILE A 59 -0.695 -1.771 9.214 1.00 71.55 H new ATOM 0 HG22 ILE A 59 1.057 -1.542 8.999 1.00 71.55 H new ATOM 0 HG23 ILE A 59 -0.090 -0.605 8.012 1.00 71.55 H new ATOM 0 HD11 ILE A 59 -3.340 -3.367 7.150 1.00 75.33 H new ATOM 0 HD12 ILE A 59 -2.138 -4.291 8.081 1.00 75.33 H new ATOM 0 HD13 ILE A 59 -2.503 -2.607 8.525 1.00 75.33 H new ATOM 589 N LYS A 60 3.138 -3.167 7.660 1.00 62.55 N ATOM 590 CA LYS A 60 4.381 -3.060 8.444 1.00 55.41 C ATOM 591 C LYS A 60 5.540 -2.514 7.582 1.00 13.42 C ATOM 592 O LYS A 60 6.111 -1.469 7.903 1.00 2.02 O ATOM 593 CB LYS A 60 4.722 -4.453 9.032 1.00 61.11 C ATOM 594 CG LYS A 60 5.984 -4.515 9.921 1.00 43.10 C ATOM 595 CD LYS A 60 6.180 -5.904 10.576 1.00 71.34 C ATOM 596 CE LYS A 60 6.299 -7.044 9.546 1.00 11.44 C ATOM 597 NZ LYS A 60 6.422 -8.368 10.194 1.00 34.55 N ATOM 0 H LYS A 60 2.755 -4.112 7.634 1.00 62.55 H new ATOM 0 HA LYS A 60 4.235 -2.351 9.259 1.00 55.41 H new ATOM 0 HB2 LYS A 60 3.870 -4.798 9.618 1.00 61.11 H new ATOM 0 HB3 LYS A 60 4.846 -5.155 8.207 1.00 61.11 H new ATOM 0 HG2 LYS A 60 6.860 -4.274 9.320 1.00 43.10 H new ATOM 0 HG3 LYS A 60 5.913 -3.756 10.700 1.00 43.10 H new ATOM 0 HD2 LYS A 60 7.078 -5.885 11.194 1.00 71.34 H new ATOM 0 HD3 LYS A 60 5.340 -6.108 11.240 1.00 71.34 H new ATOM 0 HE2 LYS A 60 5.423 -7.038 8.897 1.00 11.44 H new ATOM 0 HE3 LYS A 60 7.168 -6.869 8.911 1.00 11.44 H new ATOM 0 HZ1 LYS A 60 6.500 -9.106 9.465 1.00 34.55 H new ATOM 0 HZ2 LYS A 60 7.272 -8.383 10.794 1.00 34.55 H new ATOM 0 HZ3 LYS A 60 5.582 -8.547 10.780 1.00 34.55 H new ATOM 611 N LYS A 61 5.811 -3.208 6.460 1.00 74.03 N ATOM 612 CA LYS A 61 6.884 -2.853 5.507 1.00 30.43 C ATOM 613 C LYS A 61 6.690 -1.427 4.977 1.00 51.13 C ATOM 614 O LYS A 61 7.591 -0.597 5.100 1.00 74.02 O ATOM 615 CB LYS A 61 6.958 -3.902 4.339 1.00 72.14 C ATOM 616 CG LYS A 61 7.833 -5.158 4.630 1.00 3.51 C ATOM 617 CD LYS A 61 7.439 -5.916 5.924 1.00 23.42 C ATOM 618 CE LYS A 61 8.355 -7.116 6.222 1.00 74.13 C ATOM 619 NZ LYS A 61 8.288 -8.159 5.168 1.00 43.21 N ATOM 0 H LYS A 61 5.287 -4.039 6.186 1.00 74.03 H new ATOM 0 HA LYS A 61 7.838 -2.879 6.033 1.00 30.43 H new ATOM 0 HB2 LYS A 61 5.946 -4.231 4.103 1.00 72.14 H new ATOM 0 HB3 LYS A 61 7.348 -3.406 3.450 1.00 72.14 H new ATOM 0 HG2 LYS A 61 7.761 -5.842 3.784 1.00 3.51 H new ATOM 0 HG3 LYS A 61 8.876 -4.852 4.704 1.00 3.51 H new ATOM 0 HD2 LYS A 61 7.469 -5.225 6.766 1.00 23.42 H new ATOM 0 HD3 LYS A 61 6.410 -6.265 5.835 1.00 23.42 H new ATOM 0 HE2 LYS A 61 9.383 -6.768 6.319 1.00 74.13 H new ATOM 0 HE3 LYS A 61 8.074 -7.554 7.180 1.00 74.13 H new ATOM 0 HZ1 LYS A 61 8.585 -9.073 5.565 1.00 43.21 H new ATOM 0 HZ2 LYS A 61 7.312 -8.235 4.816 1.00 43.21 H new ATOM 0 HZ3 LYS A 61 8.920 -7.901 4.383 1.00 43.21 H new ATOM 633 N ALA A 62 5.478 -1.131 4.477 1.00 2.42 N ATOM 634 CA ALA A 62 5.143 0.203 3.940 1.00 71.12 C ATOM 635 C ALA A 62 5.407 1.311 4.969 1.00 24.40 C ATOM 636 O ALA A 62 6.035 2.317 4.651 1.00 42.41 O ATOM 637 CB ALA A 62 3.685 0.252 3.502 1.00 75.31 C ATOM 0 H ALA A 62 4.709 -1.800 4.433 1.00 2.42 H new ATOM 0 HA ALA A 62 5.788 0.376 3.078 1.00 71.12 H new ATOM 0 HB1 ALA A 62 3.456 1.243 3.109 1.00 75.31 H new ATOM 0 HB2 ALA A 62 3.513 -0.495 2.727 1.00 75.31 H new ATOM 0 HB3 ALA A 62 3.041 0.043 4.356 1.00 75.31 H new ATOM 643 N ASP A 63 4.961 1.074 6.214 1.00 20.42 N ATOM 644 CA ASP A 63 5.088 2.043 7.315 1.00 64.21 C ATOM 645 C ASP A 63 6.576 2.266 7.681 1.00 13.32 C ATOM 646 O ASP A 63 6.982 3.396 7.980 1.00 71.51 O ATOM 647 CB ASP A 63 4.272 1.560 8.543 1.00 72.11 C ATOM 648 CG ASP A 63 4.144 2.626 9.644 1.00 13.15 C ATOM 649 OD1 ASP A 63 3.250 3.491 9.541 1.00 71.45 O ATOM 650 OD2 ASP A 63 4.937 2.612 10.607 1.00 32.30 O ATOM 0 H ASP A 63 4.502 0.204 6.485 1.00 20.42 H new ATOM 0 HA ASP A 63 4.683 3.001 6.990 1.00 64.21 H new ATOM 0 HB2 ASP A 63 3.275 1.264 8.215 1.00 72.11 H new ATOM 0 HB3 ASP A 63 4.747 0.672 8.960 1.00 72.11 H new ATOM 655 N GLU A 64 7.386 1.189 7.594 1.00 52.14 N ATOM 656 CA GLU A 64 8.855 1.264 7.757 1.00 71.53 C ATOM 657 C GLU A 64 9.493 2.159 6.668 1.00 33.41 C ATOM 658 O GLU A 64 10.438 2.908 6.949 1.00 70.24 O ATOM 659 CB GLU A 64 9.481 -0.152 7.697 1.00 22.42 C ATOM 660 CG GLU A 64 9.119 -1.077 8.875 1.00 3.34 C ATOM 661 CD GLU A 64 9.634 -2.517 8.688 1.00 73.41 C ATOM 662 OE1 GLU A 64 10.823 -2.771 8.963 1.00 3.42 O ATOM 663 OE2 GLU A 64 8.862 -3.389 8.233 1.00 20.22 O ATOM 0 H GLU A 64 7.042 0.247 7.410 1.00 52.14 H new ATOM 0 HA GLU A 64 9.057 1.706 8.733 1.00 71.53 H new ATOM 0 HB2 GLU A 64 9.168 -0.632 6.769 1.00 22.42 H new ATOM 0 HB3 GLU A 64 10.566 -0.051 7.654 1.00 22.42 H new ATOM 0 HG2 GLU A 64 9.534 -0.665 9.795 1.00 3.34 H new ATOM 0 HG3 GLU A 64 8.036 -1.097 8.995 1.00 3.34 H new ATOM 670 N LYS A 65 8.979 2.057 5.420 1.00 43.05 N ATOM 671 CA LYS A 65 9.396 2.953 4.308 1.00 64.11 C ATOM 672 C LYS A 65 8.735 4.359 4.422 1.00 24.55 C ATOM 673 O LYS A 65 9.071 5.268 3.649 1.00 55.45 O ATOM 674 CB LYS A 65 9.104 2.323 2.902 1.00 13.41 C ATOM 675 CG LYS A 65 10.072 1.182 2.455 1.00 11.43 C ATOM 676 CD LYS A 65 9.866 -0.149 3.222 1.00 10.45 C ATOM 677 CE LYS A 65 10.838 -1.273 2.806 1.00 2.21 C ATOM 678 NZ LYS A 65 12.246 -0.961 3.164 1.00 74.33 N ATOM 0 H LYS A 65 8.277 1.366 5.155 1.00 43.05 H new ATOM 0 HA LYS A 65 10.475 3.076 4.400 1.00 64.11 H new ATOM 0 HB2 LYS A 65 8.087 1.931 2.905 1.00 13.41 H new ATOM 0 HB3 LYS A 65 9.138 3.116 2.155 1.00 13.41 H new ATOM 0 HG2 LYS A 65 9.937 1.001 1.389 1.00 11.43 H new ATOM 0 HG3 LYS A 65 11.100 1.515 2.594 1.00 11.43 H new ATOM 0 HD2 LYS A 65 9.980 0.038 4.290 1.00 10.45 H new ATOM 0 HD3 LYS A 65 8.843 -0.492 3.065 1.00 10.45 H new ATOM 0 HE2 LYS A 65 10.541 -2.204 3.288 1.00 2.21 H new ATOM 0 HE3 LYS A 65 10.766 -1.433 1.730 1.00 2.21 H new ATOM 0 HZ1 LYS A 65 12.860 -1.751 2.881 1.00 74.33 H new ATOM 0 HZ2 LYS A 65 12.546 -0.096 2.671 1.00 74.33 H new ATOM 0 HZ3 LYS A 65 12.319 -0.817 4.191 1.00 74.33 H new ATOM 692 N GLY A 66 7.794 4.528 5.394 1.00 4.31 N ATOM 693 CA GLY A 66 7.157 5.831 5.674 1.00 32.02 C ATOM 694 C GLY A 66 5.808 6.041 4.985 1.00 14.01 C ATOM 695 O GLY A 66 5.184 7.097 5.157 1.00 61.13 O ATOM 0 H GLY A 66 7.465 3.771 5.993 1.00 4.31 H new ATOM 0 HA2 GLY A 66 7.019 5.929 6.751 1.00 32.02 H new ATOM 0 HA3 GLY A 66 7.836 6.626 5.365 1.00 32.02 H new ATOM 699 N ALA A 67 5.354 5.033 4.220 1.00 21.05 N ATOM 700 CA ALA A 67 4.093 5.096 3.454 1.00 42.01 C ATOM 701 C ALA A 67 2.860 5.187 4.362 1.00 1.13 C ATOM 702 O ALA A 67 2.794 4.546 5.421 1.00 42.30 O ATOM 703 CB ALA A 67 3.977 3.887 2.525 1.00 32.42 C ATOM 0 H ALA A 67 5.851 4.149 4.114 1.00 21.05 H new ATOM 0 HA ALA A 67 4.123 6.010 2.860 1.00 42.01 H new ATOM 0 HB1 ALA A 67 3.043 3.946 1.966 1.00 32.42 H new ATOM 0 HB2 ALA A 67 4.816 3.881 1.829 1.00 32.42 H new ATOM 0 HB3 ALA A 67 3.989 2.971 3.116 1.00 32.42 H new ATOM 709 N ASP A 68 1.887 5.983 3.906 1.00 33.22 N ATOM 710 CA ASP A 68 0.613 6.193 4.597 1.00 52.21 C ATOM 711 C ASP A 68 -0.428 5.176 4.111 1.00 62.11 C ATOM 712 O ASP A 68 -1.253 4.694 4.895 1.00 74.13 O ATOM 713 CB ASP A 68 0.114 7.635 4.350 1.00 44.15 C ATOM 714 CG ASP A 68 1.059 8.699 4.937 1.00 34.33 C ATOM 715 OD1 ASP A 68 1.996 9.135 4.234 1.00 55.12 O ATOM 716 OD2 ASP A 68 0.873 9.109 6.102 1.00 63.24 O ATOM 0 H ASP A 68 1.965 6.506 3.034 1.00 33.22 H new ATOM 0 HA ASP A 68 0.761 6.050 5.667 1.00 52.21 H new ATOM 0 HB2 ASP A 68 0.009 7.800 3.278 1.00 44.15 H new ATOM 0 HB3 ASP A 68 -0.877 7.753 4.789 1.00 44.15 H new ATOM 721 N VAL A 69 -0.386 4.858 2.802 1.00 55.03 N ATOM 722 CA VAL A 69 -1.341 3.934 2.161 1.00 72.12 C ATOM 723 C VAL A 69 -0.596 2.778 1.466 1.00 4.23 C ATOM 724 O VAL A 69 0.482 2.965 0.896 1.00 3.42 O ATOM 725 CB VAL A 69 -2.261 4.703 1.130 1.00 62.22 C ATOM 726 CG1 VAL A 69 -3.191 3.742 0.338 1.00 41.24 C ATOM 727 CG2 VAL A 69 -3.090 5.802 1.847 1.00 41.42 C ATOM 0 H VAL A 69 0.311 5.235 2.160 1.00 55.03 H new ATOM 0 HA VAL A 69 -1.979 3.513 2.938 1.00 72.12 H new ATOM 0 HB VAL A 69 -1.600 5.179 0.405 1.00 62.22 H new ATOM 0 HG11 VAL A 69 -3.803 4.318 -0.357 1.00 41.24 H new ATOM 0 HG12 VAL A 69 -2.586 3.027 -0.219 1.00 41.24 H new ATOM 0 HG13 VAL A 69 -3.838 3.207 1.033 1.00 41.24 H new ATOM 0 HG21 VAL A 69 -3.716 6.319 1.119 1.00 41.42 H new ATOM 0 HG22 VAL A 69 -3.721 5.343 2.608 1.00 41.42 H new ATOM 0 HG23 VAL A 69 -2.416 6.517 2.318 1.00 41.42 H new ATOM 737 N VAL A 70 -1.215 1.588 1.534 1.00 22.15 N ATOM 738 CA VAL A 70 -0.738 0.348 0.909 1.00 65.42 C ATOM 739 C VAL A 70 -1.820 -0.095 -0.088 1.00 35.32 C ATOM 740 O VAL A 70 -2.893 -0.557 0.320 1.00 23.42 O ATOM 741 CB VAL A 70 -0.519 -0.804 1.970 1.00 0.32 C ATOM 742 CG1 VAL A 70 0.228 -2.010 1.357 1.00 53.01 C ATOM 743 CG2 VAL A 70 0.194 -0.290 3.233 1.00 13.33 C ATOM 0 H VAL A 70 -2.090 1.461 2.043 1.00 22.15 H new ATOM 0 HA VAL A 70 0.222 0.534 0.427 1.00 65.42 H new ATOM 0 HB VAL A 70 -1.508 -1.149 2.272 1.00 0.32 H new ATOM 0 HG11 VAL A 70 0.360 -2.781 2.116 1.00 53.01 H new ATOM 0 HG12 VAL A 70 -0.352 -2.414 0.527 1.00 53.01 H new ATOM 0 HG13 VAL A 70 1.204 -1.687 0.994 1.00 53.01 H new ATOM 0 HG21 VAL A 70 0.325 -1.112 3.937 1.00 13.33 H new ATOM 0 HG22 VAL A 70 1.169 0.114 2.961 1.00 13.33 H new ATOM 0 HG23 VAL A 70 -0.407 0.492 3.697 1.00 13.33 H new ATOM 753 N VAL A 71 -1.538 0.060 -1.379 1.00 41.50 N ATOM 754 CA VAL A 71 -2.492 -0.242 -2.455 1.00 2.03 C ATOM 755 C VAL A 71 -2.328 -1.708 -2.877 1.00 0.24 C ATOM 756 O VAL A 71 -1.385 -2.044 -3.618 1.00 1.24 O ATOM 757 CB VAL A 71 -2.279 0.731 -3.676 1.00 42.02 C ATOM 758 CG1 VAL A 71 -3.237 0.415 -4.845 1.00 35.13 C ATOM 759 CG2 VAL A 71 -2.422 2.205 -3.225 1.00 14.24 C ATOM 0 H VAL A 71 -0.637 0.400 -1.715 1.00 41.50 H new ATOM 0 HA VAL A 71 -3.509 -0.091 -2.093 1.00 2.03 H new ATOM 0 HB VAL A 71 -1.265 0.576 -4.046 1.00 42.02 H new ATOM 0 HG11 VAL A 71 -3.054 1.111 -5.664 1.00 35.13 H new ATOM 0 HG12 VAL A 71 -3.066 -0.605 -5.190 1.00 35.13 H new ATOM 0 HG13 VAL A 71 -4.269 0.515 -4.507 1.00 35.13 H new ATOM 0 HG21 VAL A 71 -2.272 2.863 -4.081 1.00 14.24 H new ATOM 0 HG22 VAL A 71 -3.419 2.365 -2.815 1.00 14.24 H new ATOM 0 HG23 VAL A 71 -1.676 2.426 -2.462 1.00 14.24 H new ATOM 769 N LEU A 72 -3.220 -2.585 -2.353 1.00 55.12 N ATOM 770 CA LEU A 72 -3.203 -4.020 -2.679 1.00 42.30 C ATOM 771 C LEU A 72 -3.595 -4.235 -4.139 1.00 22.52 C ATOM 772 O LEU A 72 -4.600 -3.690 -4.616 1.00 20.23 O ATOM 773 CB LEU A 72 -4.135 -4.860 -1.764 1.00 63.44 C ATOM 774 CG LEU A 72 -3.770 -4.915 -0.247 1.00 70.54 C ATOM 775 CD1 LEU A 72 -4.620 -5.977 0.480 1.00 11.32 C ATOM 776 CD2 LEU A 72 -2.262 -5.171 -0.015 1.00 54.30 C ATOM 0 H LEU A 72 -3.958 -2.316 -1.703 1.00 55.12 H new ATOM 0 HA LEU A 72 -2.183 -4.365 -2.508 1.00 42.30 H new ATOM 0 HB2 LEU A 72 -5.147 -4.465 -1.856 1.00 63.44 H new ATOM 0 HB3 LEU A 72 -4.155 -5.881 -2.146 1.00 63.44 H new ATOM 0 HG LEU A 72 -3.997 -3.935 0.172 1.00 70.54 H new ATOM 0 HD11 LEU A 72 -4.350 -5.999 1.536 1.00 11.32 H new ATOM 0 HD12 LEU A 72 -5.676 -5.728 0.381 1.00 11.32 H new ATOM 0 HD13 LEU A 72 -4.435 -6.956 0.038 1.00 11.32 H new ATOM 0 HD21 LEU A 72 -2.058 -5.201 1.055 1.00 54.30 H new ATOM 0 HD22 LEU A 72 -1.981 -6.124 -0.464 1.00 54.30 H new ATOM 0 HD23 LEU A 72 -1.682 -4.369 -0.473 1.00 54.30 H new ATOM 788 N THR A 73 -2.789 -5.039 -4.836 1.00 63.51 N ATOM 789 CA THR A 73 -2.980 -5.351 -6.252 1.00 22.24 C ATOM 790 C THR A 73 -2.793 -6.859 -6.468 1.00 24.04 C ATOM 791 O THR A 73 -3.711 -7.557 -6.916 1.00 42.52 O ATOM 792 CB THR A 73 -1.975 -4.520 -7.121 1.00 4.31 C ATOM 793 OG1 THR A 73 -0.657 -4.616 -6.548 1.00 42.51 O ATOM 794 CG2 THR A 73 -2.382 -3.031 -7.223 1.00 12.21 C ATOM 0 H THR A 73 -1.975 -5.497 -4.426 1.00 63.51 H new ATOM 0 HA THR A 73 -3.990 -5.081 -6.560 1.00 22.24 H new ATOM 0 HB THR A 73 -1.987 -4.936 -8.129 1.00 4.31 H new ATOM 0 HG1 THR A 73 -0.026 -4.098 -7.090 1.00 42.51 H new ATOM 0 HG21 THR A 73 -1.655 -2.496 -7.835 1.00 12.21 H new ATOM 0 HG22 THR A 73 -3.368 -2.954 -7.680 1.00 12.21 H new ATOM 0 HG23 THR A 73 -2.409 -2.592 -6.226 1.00 12.21 H new ATOM 802 N SER A 74 -1.604 -7.359 -6.086 1.00 31.22 N ATOM 803 CA SER A 74 -1.233 -8.775 -6.231 1.00 52.23 C ATOM 804 C SER A 74 -1.067 -9.424 -4.840 1.00 44.33 C ATOM 805 O SER A 74 -0.149 -10.215 -4.626 1.00 64.13 O ATOM 806 CB SER A 74 0.073 -8.866 -7.066 1.00 64.41 C ATOM 807 OG SER A 74 0.455 -10.213 -7.313 1.00 24.34 O ATOM 0 H SER A 74 -0.871 -6.788 -5.666 1.00 31.22 H new ATOM 0 HA SER A 74 -2.019 -9.321 -6.752 1.00 52.23 H new ATOM 0 HB2 SER A 74 -0.067 -8.349 -8.015 1.00 64.41 H new ATOM 0 HB3 SER A 74 0.877 -8.352 -6.539 1.00 64.41 H new ATOM 0 HG SER A 74 0.273 -10.756 -6.517 1.00 24.34 H new ATOM 813 N GLY A 75 -1.991 -9.117 -3.910 1.00 55.20 N ATOM 814 CA GLY A 75 -1.940 -9.692 -2.557 1.00 73.35 C ATOM 815 C GLY A 75 -3.192 -9.417 -1.743 1.00 32.34 C ATOM 816 O GLY A 75 -3.140 -8.678 -0.756 1.00 32.03 O ATOM 0 H GLY A 75 -2.772 -8.481 -4.070 1.00 55.20 H new ATOM 0 HA2 GLY A 75 -1.793 -10.769 -2.632 1.00 73.35 H new ATOM 0 HA3 GLY A 75 -1.076 -9.288 -2.030 1.00 73.35 H new ATOM 820 N GLN A 76 -4.327 -10.017 -2.155 1.00 65.12 N ATOM 821 CA GLN A 76 -5.623 -9.831 -1.459 1.00 21.14 C ATOM 822 C GLN A 76 -6.597 -10.993 -1.739 1.00 42.44 C ATOM 823 O GLN A 76 -7.366 -11.388 -0.861 1.00 30.34 O ATOM 824 CB GLN A 76 -6.259 -8.470 -1.876 1.00 41.03 C ATOM 825 CG GLN A 76 -6.577 -8.326 -3.380 1.00 53.31 C ATOM 826 CD GLN A 76 -7.157 -6.961 -3.745 1.00 75.32 C ATOM 827 OE1 GLN A 76 -8.370 -6.748 -3.692 1.00 31.02 O ATOM 828 NE2 GLN A 76 -6.298 -6.030 -4.121 1.00 40.34 N ATOM 0 H GLN A 76 -4.376 -10.635 -2.965 1.00 65.12 H new ATOM 0 HA GLN A 76 -5.430 -9.824 -0.386 1.00 21.14 H new ATOM 0 HB2 GLN A 76 -7.181 -8.330 -1.311 1.00 41.03 H new ATOM 0 HB3 GLN A 76 -5.582 -7.667 -1.586 1.00 41.03 H new ATOM 0 HG2 GLN A 76 -5.666 -8.492 -3.955 1.00 53.31 H new ATOM 0 HG3 GLN A 76 -7.283 -9.103 -3.671 1.00 53.31 H new ATOM 0 HE21 GLN A 76 -5.300 -6.240 -4.154 1.00 40.34 H new ATOM 0 HE22 GLN A 76 -6.633 -5.101 -4.378 1.00 40.34 H new ATOM 837 N THR A 77 -6.545 -11.531 -2.965 1.00 53.11 N ATOM 838 CA THR A 77 -7.502 -12.538 -3.454 1.00 10.44 C ATOM 839 C THR A 77 -7.240 -13.940 -2.854 1.00 0.00 C ATOM 840 O THR A 77 -8.190 -14.633 -2.465 1.00 32.41 O ATOM 841 CB THR A 77 -7.440 -12.595 -5.008 1.00 10.43 C ATOM 842 OG1 THR A 77 -6.071 -12.702 -5.418 1.00 41.54 O ATOM 843 CG2 THR A 77 -8.062 -11.352 -5.664 1.00 22.41 C ATOM 0 H THR A 77 -5.834 -11.279 -3.651 1.00 53.11 H new ATOM 0 HA THR A 77 -8.499 -12.238 -3.131 1.00 10.44 H new ATOM 0 HB THR A 77 -8.015 -13.463 -5.330 1.00 10.43 H new ATOM 0 HG1 THR A 77 -6.024 -12.740 -6.396 1.00 41.54 H new ATOM 0 HG21 THR A 77 -7.994 -11.440 -6.748 1.00 22.41 H new ATOM 0 HG22 THR A 77 -9.109 -11.272 -5.372 1.00 22.41 H new ATOM 0 HG23 THR A 77 -7.525 -10.461 -5.338 1.00 22.41 H new ATOM 851 N GLU A 78 -5.944 -14.320 -2.786 1.00 74.40 N ATOM 852 CA GLU A 78 -5.482 -15.645 -2.313 1.00 65.45 C ATOM 853 C GLU A 78 -6.005 -16.776 -3.242 1.00 52.13 C ATOM 854 O GLU A 78 -7.073 -17.358 -3.006 1.00 44.42 O ATOM 855 CB GLU A 78 -5.876 -15.918 -0.831 1.00 33.14 C ATOM 856 CG GLU A 78 -5.318 -17.245 -0.254 1.00 24.42 C ATOM 857 CD GLU A 78 -6.109 -17.773 0.956 1.00 14.31 C ATOM 858 OE1 GLU A 78 -7.295 -18.135 0.774 1.00 74.52 O ATOM 859 OE2 GLU A 78 -5.558 -17.853 2.079 1.00 62.11 O ATOM 0 H GLU A 78 -5.178 -13.706 -3.062 1.00 74.40 H new ATOM 0 HA GLU A 78 -4.393 -15.635 -2.354 1.00 65.45 H new ATOM 0 HB2 GLU A 78 -5.522 -15.091 -0.215 1.00 33.14 H new ATOM 0 HB3 GLU A 78 -6.963 -15.931 -0.753 1.00 33.14 H new ATOM 0 HG2 GLU A 78 -5.322 -18.002 -1.038 1.00 24.42 H new ATOM 0 HG3 GLU A 78 -4.279 -17.095 0.039 1.00 24.42 H new ATOM 866 N ASN A 79 -5.272 -17.000 -4.337 1.00 45.20 N ATOM 867 CA ASN A 79 -5.455 -18.160 -5.243 1.00 4.35 C ATOM 868 C ASN A 79 -4.241 -18.235 -6.176 1.00 2.32 C ATOM 869 O ASN A 79 -3.629 -19.296 -6.341 1.00 1.14 O ATOM 870 CB ASN A 79 -6.785 -18.067 -6.061 1.00 1.25 C ATOM 871 CG ASN A 79 -7.014 -19.206 -7.076 1.00 63.02 C ATOM 872 OD1 ASN A 79 -6.520 -20.326 -6.918 1.00 71.44 O ATOM 873 ND2 ASN A 79 -7.802 -18.932 -8.111 1.00 72.52 N ATOM 0 H ASN A 79 -4.521 -16.376 -4.632 1.00 45.20 H new ATOM 0 HA ASN A 79 -5.530 -19.069 -4.646 1.00 4.35 H new ATOM 0 HB2 ASN A 79 -7.622 -18.051 -5.363 1.00 1.25 H new ATOM 0 HB3 ASN A 79 -6.798 -17.117 -6.596 1.00 1.25 H new ATOM 0 HD21 ASN A 79 -8.011 -19.656 -8.798 1.00 72.52 H new ATOM 0 HD22 ASN A 79 -8.197 -17.998 -8.218 1.00 72.52 H new ATOM 880 N LYS A 80 -3.889 -17.075 -6.748 1.00 15.33 N ATOM 881 CA LYS A 80 -2.725 -16.926 -7.633 1.00 52.12 C ATOM 882 C LYS A 80 -2.258 -15.460 -7.604 1.00 24.21 C ATOM 883 O LYS A 80 -2.639 -14.645 -8.450 1.00 60.04 O ATOM 884 CB LYS A 80 -3.038 -17.408 -9.083 1.00 1.31 C ATOM 885 CG LYS A 80 -1.797 -17.453 -10.017 1.00 64.41 C ATOM 886 CD LYS A 80 -2.097 -18.058 -11.411 1.00 2.30 C ATOM 887 CE LYS A 80 -0.840 -18.143 -12.303 1.00 40.13 C ATOM 888 NZ LYS A 80 -1.126 -18.790 -13.608 1.00 44.20 N ATOM 0 H LYS A 80 -4.408 -16.208 -6.609 1.00 15.33 H new ATOM 0 HA LYS A 80 -1.917 -17.562 -7.271 1.00 52.12 H new ATOM 0 HB2 LYS A 80 -3.481 -18.403 -9.036 1.00 1.31 H new ATOM 0 HB3 LYS A 80 -3.786 -16.747 -9.521 1.00 1.31 H new ATOM 0 HG2 LYS A 80 -1.410 -16.442 -10.144 1.00 64.41 H new ATOM 0 HG3 LYS A 80 -1.012 -18.037 -9.537 1.00 64.41 H new ATOM 0 HD2 LYS A 80 -2.519 -19.056 -11.287 1.00 2.30 H new ATOM 0 HD3 LYS A 80 -2.853 -17.452 -11.911 1.00 2.30 H new ATOM 0 HE2 LYS A 80 -0.448 -17.140 -12.474 1.00 40.13 H new ATOM 0 HE3 LYS A 80 -0.064 -18.704 -11.783 1.00 40.13 H new ATOM 0 HZ1 LYS A 80 -0.255 -18.827 -14.176 1.00 44.20 H new ATOM 0 HZ2 LYS A 80 -1.475 -19.756 -13.447 1.00 44.20 H new ATOM 0 HZ3 LYS A 80 -1.848 -18.241 -14.117 1.00 44.20 H new ATOM 902 N ILE A 81 -1.495 -15.142 -6.550 1.00 13.10 N ATOM 903 CA ILE A 81 -0.883 -13.821 -6.310 1.00 73.25 C ATOM 904 C ILE A 81 0.564 -14.037 -5.795 1.00 31.44 C ATOM 905 O ILE A 81 1.114 -15.130 -5.972 1.00 44.10 O ATOM 906 CB ILE A 81 -1.777 -12.945 -5.313 1.00 50.40 C ATOM 907 CG1 ILE A 81 -2.256 -13.743 -4.032 1.00 54.32 C ATOM 908 CG2 ILE A 81 -2.988 -12.318 -6.052 1.00 62.54 C ATOM 909 CD1 ILE A 81 -1.264 -13.801 -2.884 1.00 44.50 C ATOM 0 H ILE A 81 -1.278 -15.816 -5.816 1.00 13.10 H new ATOM 0 HA ILE A 81 -0.836 -13.251 -7.238 1.00 73.25 H new ATOM 0 HB ILE A 81 -1.129 -12.145 -4.954 1.00 50.40 H new ATOM 0 HG12 ILE A 81 -3.179 -13.290 -3.668 1.00 54.32 H new ATOM 0 HG13 ILE A 81 -2.498 -14.763 -4.331 1.00 54.32 H new ATOM 0 HG21 ILE A 81 -3.577 -11.728 -5.350 1.00 62.54 H new ATOM 0 HG22 ILE A 81 -2.630 -11.674 -6.856 1.00 62.54 H new ATOM 0 HG23 ILE A 81 -3.609 -13.110 -6.471 1.00 62.54 H new ATOM 0 HD11 ILE A 81 -1.694 -14.371 -2.060 1.00 44.50 H new ATOM 0 HD12 ILE A 81 -0.347 -14.285 -3.220 1.00 44.50 H new ATOM 0 HD13 ILE A 81 -1.038 -12.789 -2.547 1.00 44.50 H new ATOM 921 N HIS A 82 1.198 -12.992 -5.229 1.00 61.41 N ATOM 922 CA HIS A 82 2.549 -13.108 -4.604 1.00 61.44 C ATOM 923 C HIS A 82 2.809 -11.942 -3.626 1.00 73.22 C ATOM 924 O HIS A 82 3.954 -11.532 -3.400 1.00 52.02 O ATOM 925 CB HIS A 82 3.661 -13.243 -5.696 1.00 4.01 C ATOM 926 CG HIS A 82 3.554 -12.266 -6.834 1.00 44.25 C ATOM 927 ND1 HIS A 82 3.974 -10.996 -6.950 1.00 43.35 N flip ATOM 928 CD2 HIS A 82 2.949 -12.571 -8.033 1.00 40.22 C flip ATOM 929 CE1 HIS A 82 3.625 -10.553 -8.202 1.00 13.52 C flip ATOM 930 NE2 HIS A 82 3.006 -11.526 -8.834 1.00 23.35 N flip ATOM 0 H HIS A 82 0.803 -12.052 -5.187 1.00 61.41 H new ATOM 0 HA HIS A 82 2.580 -14.023 -4.012 1.00 61.44 H new ATOM 0 HB2 HIS A 82 4.634 -13.119 -5.220 1.00 4.01 H new ATOM 0 HB3 HIS A 82 3.631 -14.255 -6.101 1.00 4.01 H new ATOM 0 HD2 HIS A 82 2.497 -13.521 -8.279 1.00 40.22 H new ATOM 0 HE1 HIS A 82 3.825 -9.570 -8.601 1.00 13.52 H new ATOM 0 HE2 HIS A 82 2.634 -11.480 -9.782 1.00 23.35 H new ATOM 939 N GLY A 83 1.701 -11.446 -3.047 1.00 23.03 N ATOM 940 CA GLY A 83 1.722 -10.479 -1.947 1.00 61.12 C ATOM 941 C GLY A 83 2.371 -9.139 -2.282 1.00 63.12 C ATOM 942 O GLY A 83 3.136 -8.613 -1.481 1.00 64.35 O ATOM 0 H GLY A 83 0.759 -11.711 -3.336 1.00 23.03 H new ATOM 0 HA2 GLY A 83 0.698 -10.299 -1.621 1.00 61.12 H new ATOM 0 HA3 GLY A 83 2.251 -10.922 -1.103 1.00 61.12 H new ATOM 946 N THR A 84 2.055 -8.572 -3.458 1.00 3.32 N ATOM 947 CA THR A 84 2.619 -7.281 -3.901 1.00 14.42 C ATOM 948 C THR A 84 1.586 -6.158 -3.732 1.00 12.52 C ATOM 949 O THR A 84 0.386 -6.361 -3.983 1.00 11.11 O ATOM 950 CB THR A 84 3.089 -7.353 -5.389 1.00 52.21 C ATOM 951 OG1 THR A 84 4.000 -8.442 -5.535 1.00 20.30 O ATOM 952 CG2 THR A 84 3.778 -6.065 -5.873 1.00 43.02 C ATOM 0 H THR A 84 1.407 -8.990 -4.126 1.00 3.32 H new ATOM 0 HA THR A 84 3.486 -7.064 -3.277 1.00 14.42 H new ATOM 0 HB THR A 84 2.196 -7.490 -5.999 1.00 52.21 H new ATOM 0 HG1 THR A 84 3.565 -9.169 -6.028 1.00 20.30 H new ATOM 0 HG21 THR A 84 4.079 -6.183 -6.914 1.00 43.02 H new ATOM 0 HG22 THR A 84 3.085 -5.228 -5.788 1.00 43.02 H new ATOM 0 HG23 THR A 84 4.658 -5.871 -5.260 1.00 43.02 H new ATOM 960 N ALA A 85 2.082 -4.983 -3.315 1.00 33.42 N ATOM 961 CA ALA A 85 1.282 -3.777 -3.093 1.00 63.23 C ATOM 962 C ALA A 85 2.131 -2.524 -3.376 1.00 2.42 C ATOM 963 O ALA A 85 3.311 -2.461 -2.987 1.00 20.42 O ATOM 964 CB ALA A 85 0.762 -3.756 -1.655 1.00 61.30 C ATOM 0 H ALA A 85 3.074 -4.846 -3.119 1.00 33.42 H new ATOM 0 HA ALA A 85 0.430 -3.781 -3.773 1.00 63.23 H new ATOM 0 HB1 ALA A 85 0.168 -2.856 -1.496 1.00 61.30 H new ATOM 0 HB2 ALA A 85 0.143 -4.636 -1.479 1.00 61.30 H new ATOM 0 HB3 ALA A 85 1.604 -3.761 -0.963 1.00 61.30 H new ATOM 970 N ASP A 86 1.521 -1.535 -4.042 1.00 13.40 N ATOM 971 CA ASP A 86 2.180 -0.265 -4.397 1.00 22.00 C ATOM 972 C ASP A 86 1.965 0.723 -3.256 1.00 25.41 C ATOM 973 O ASP A 86 0.824 0.968 -2.869 1.00 22.12 O ATOM 974 CB ASP A 86 1.580 0.288 -5.716 1.00 54.41 C ATOM 975 CG ASP A 86 1.719 -0.705 -6.880 1.00 63.11 C ATOM 976 OD1 ASP A 86 0.891 -1.639 -6.982 1.00 54.52 O ATOM 977 OD2 ASP A 86 2.662 -0.573 -7.691 1.00 15.21 O ATOM 0 H ASP A 86 0.551 -1.591 -4.353 1.00 13.40 H new ATOM 0 HA ASP A 86 3.248 -0.422 -4.549 1.00 22.00 H new ATOM 0 HB2 ASP A 86 0.526 0.521 -5.564 1.00 54.41 H new ATOM 0 HB3 ASP A 86 2.079 1.222 -5.976 1.00 54.41 H new ATOM 982 N ILE A 87 3.045 1.304 -2.711 1.00 0.24 N ATOM 983 CA ILE A 87 2.955 2.097 -1.474 1.00 43.51 C ATOM 984 C ILE A 87 3.114 3.604 -1.743 1.00 33.02 C ATOM 985 O ILE A 87 3.987 4.056 -2.514 1.00 54.33 O ATOM 986 CB ILE A 87 3.955 1.585 -0.381 1.00 74.43 C ATOM 987 CG1 ILE A 87 5.453 1.745 -0.804 1.00 3.24 C ATOM 988 CG2 ILE A 87 3.636 0.109 -0.046 1.00 61.22 C ATOM 989 CD1 ILE A 87 6.453 1.394 0.290 1.00 42.33 C ATOM 0 H ILE A 87 3.984 1.241 -3.103 1.00 0.24 H new ATOM 0 HA ILE A 87 1.950 1.954 -1.076 1.00 43.51 H new ATOM 0 HB ILE A 87 3.822 2.205 0.505 1.00 74.43 H new ATOM 0 HG12 ILE A 87 5.643 1.112 -1.671 1.00 3.24 H new ATOM 0 HG13 ILE A 87 5.622 2.775 -1.118 1.00 3.24 H new ATOM 0 HG21 ILE A 87 4.330 -0.250 0.714 1.00 61.22 H new ATOM 0 HG22 ILE A 87 2.616 0.034 0.330 1.00 61.22 H new ATOM 0 HG23 ILE A 87 3.737 -0.498 -0.945 1.00 61.22 H new ATOM 0 HD11 ILE A 87 7.467 1.532 -0.086 1.00 42.33 H new ATOM 0 HD12 ILE A 87 6.294 2.043 1.151 1.00 42.33 H new ATOM 0 HD13 ILE A 87 6.315 0.355 0.589 1.00 42.33 H new ATOM 1001 N TYR A 88 2.232 4.369 -1.087 1.00 52.12 N ATOM 1002 CA TYR A 88 2.040 5.798 -1.308 1.00 35.03 C ATOM 1003 C TYR A 88 2.129 6.558 0.011 1.00 44.24 C ATOM 1004 O TYR A 88 1.795 6.026 1.073 1.00 1.53 O ATOM 1005 CB TYR A 88 0.647 6.060 -1.948 1.00 2.03 C ATOM 1006 CG TYR A 88 0.523 5.682 -3.436 1.00 42.44 C ATOM 1007 CD1 TYR A 88 0.458 4.350 -3.855 1.00 44.31 C ATOM 1008 CD2 TYR A 88 0.431 6.672 -4.423 1.00 24.23 C ATOM 1009 CE1 TYR A 88 0.316 4.025 -5.191 1.00 63.11 C ATOM 1010 CE2 TYR A 88 0.282 6.351 -5.753 1.00 21.52 C ATOM 1011 CZ TYR A 88 0.223 5.029 -6.136 1.00 23.23 C ATOM 1012 OH TYR A 88 0.080 4.715 -7.467 1.00 12.55 O ATOM 0 H TYR A 88 1.616 3.993 -0.366 1.00 52.12 H new ATOM 0 HA TYR A 88 2.824 6.146 -1.980 1.00 35.03 H new ATOM 0 HB2 TYR A 88 -0.103 5.504 -1.385 1.00 2.03 H new ATOM 0 HB3 TYR A 88 0.408 7.118 -1.838 1.00 2.03 H new ATOM 0 HD1 TYR A 88 0.520 3.560 -3.121 1.00 44.31 H new ATOM 0 HD2 TYR A 88 0.478 7.711 -4.133 1.00 24.23 H new ATOM 0 HE1 TYR A 88 0.278 2.989 -5.495 1.00 63.11 H new ATOM 0 HE2 TYR A 88 0.212 7.133 -6.494 1.00 21.52 H new ATOM 0 HH TYR A 88 0.029 5.540 -7.994 1.00 12.55 H new ATOM 1022 N LYS A 89 2.550 7.818 -0.078 1.00 34.23 N ATOM 1023 CA LYS A 89 2.512 8.779 1.029 1.00 41.12 C ATOM 1024 C LYS A 89 1.493 9.860 0.716 1.00 50.01 C ATOM 1025 O LYS A 89 1.297 10.186 -0.457 1.00 41.42 O ATOM 1026 CB LYS A 89 3.902 9.418 1.264 1.00 55.22 C ATOM 1027 CG LYS A 89 4.871 8.515 2.042 1.00 75.52 C ATOM 1028 CD LYS A 89 6.115 9.258 2.560 1.00 21.13 C ATOM 1029 CE LYS A 89 5.755 10.370 3.566 1.00 41.03 C ATOM 1030 NZ LYS A 89 4.992 9.857 4.738 1.00 14.34 N ATOM 0 H LYS A 89 2.935 8.210 -0.937 1.00 34.23 H new ATOM 0 HA LYS A 89 2.228 8.251 1.939 1.00 41.12 H new ATOM 0 HB2 LYS A 89 4.346 9.667 0.300 1.00 55.22 H new ATOM 0 HB3 LYS A 89 3.775 10.354 1.808 1.00 55.22 H new ATOM 0 HG2 LYS A 89 4.344 8.071 2.887 1.00 75.52 H new ATOM 0 HG3 LYS A 89 5.188 7.695 1.398 1.00 75.52 H new ATOM 0 HD2 LYS A 89 6.790 8.546 3.035 1.00 21.13 H new ATOM 0 HD3 LYS A 89 6.653 9.693 1.718 1.00 21.13 H new ATOM 0 HE2 LYS A 89 6.670 10.850 3.914 1.00 41.03 H new ATOM 0 HE3 LYS A 89 5.166 11.135 3.061 1.00 41.03 H new ATOM 0 HZ1 LYS A 89 5.201 10.443 5.572 1.00 14.34 H new ATOM 0 HZ2 LYS A 89 3.973 9.897 4.533 1.00 14.34 H new ATOM 0 HZ3 LYS A 89 5.268 8.873 4.928 1.00 14.34 H new ATOM 1044 N LYS A 90 0.849 10.431 1.754 1.00 22.20 N ATOM 1045 CA LYS A 90 -0.138 11.498 1.533 1.00 22.40 C ATOM 1046 C LYS A 90 0.580 12.838 1.312 1.00 71.51 C ATOM 1047 O LYS A 90 1.600 13.120 1.943 1.00 52.44 O ATOM 1048 CB LYS A 90 -1.186 11.640 2.678 1.00 41.24 C ATOM 1049 CG LYS A 90 -2.434 12.439 2.216 1.00 53.00 C ATOM 1050 CD LYS A 90 -3.438 12.790 3.328 1.00 41.23 C ATOM 1051 CE LYS A 90 -4.647 13.577 2.770 1.00 0.12 C ATOM 1052 NZ LYS A 90 -4.229 14.804 2.026 1.00 41.43 N ATOM 0 H LYS A 90 0.992 10.176 2.731 1.00 22.20 H new ATOM 0 HA LYS A 90 -0.698 11.213 0.643 1.00 22.40 H new ATOM 0 HB2 LYS A 90 -1.492 10.650 3.016 1.00 41.24 H new ATOM 0 HB3 LYS A 90 -0.728 12.141 3.531 1.00 41.24 H new ATOM 0 HG2 LYS A 90 -2.100 13.364 1.746 1.00 53.00 H new ATOM 0 HG3 LYS A 90 -2.952 11.861 1.450 1.00 53.00 H new ATOM 0 HD2 LYS A 90 -3.787 11.875 3.807 1.00 41.23 H new ATOM 0 HD3 LYS A 90 -2.940 13.382 4.096 1.00 41.23 H new ATOM 0 HE2 LYS A 90 -5.224 12.932 2.107 1.00 0.12 H new ATOM 0 HE3 LYS A 90 -5.305 13.859 3.592 1.00 0.12 H new ATOM 0 HZ1 LYS A 90 -4.746 15.627 2.395 1.00 41.43 H new ATOM 0 HZ2 LYS A 90 -3.207 14.954 2.149 1.00 41.43 H new ATOM 0 HZ3 LYS A 90 -4.442 14.686 1.015 1.00 41.43 H new ATOM 1066 N LYS A 91 0.035 13.626 0.390 1.00 75.24 N ATOM 1067 CA LYS A 91 0.522 14.958 0.051 1.00 23.31 C ATOM 1068 C LYS A 91 -0.261 16.010 0.848 1.00 61.02 C ATOM 1069 O LYS A 91 -1.496 15.922 0.975 1.00 65.14 O ATOM 1070 CB LYS A 91 0.339 15.192 -1.471 1.00 31.32 C ATOM 1071 CG LYS A 91 1.148 14.225 -2.360 1.00 1.13 C ATOM 1072 CD LYS A 91 0.807 14.352 -3.864 1.00 2.54 C ATOM 1073 CE LYS A 91 1.056 15.762 -4.438 1.00 72.14 C ATOM 1074 NZ LYS A 91 0.726 15.841 -5.884 1.00 35.20 N ATOM 0 H LYS A 91 -0.780 13.347 -0.157 1.00 75.24 H new ATOM 0 HA LYS A 91 1.579 15.043 0.303 1.00 23.31 H new ATOM 0 HB2 LYS A 91 -0.718 15.096 -1.718 1.00 31.32 H new ATOM 0 HB3 LYS A 91 0.630 16.215 -1.708 1.00 31.32 H new ATOM 0 HG2 LYS A 91 2.212 14.415 -2.218 1.00 1.13 H new ATOM 0 HG3 LYS A 91 0.961 13.201 -2.037 1.00 1.13 H new ATOM 0 HD2 LYS A 91 1.401 13.631 -4.425 1.00 2.54 H new ATOM 0 HD3 LYS A 91 -0.240 14.088 -4.014 1.00 2.54 H new ATOM 0 HE2 LYS A 91 0.456 16.488 -3.889 1.00 72.14 H new ATOM 0 HE3 LYS A 91 2.101 16.035 -4.289 1.00 72.14 H new ATOM 0 HZ1 LYS A 91 0.908 16.805 -6.229 1.00 35.20 H new ATOM 0 HZ2 LYS A 91 1.316 15.167 -6.412 1.00 35.20 H new ATOM 0 HZ3 LYS A 91 -0.277 15.606 -6.024 1.00 35.20 H new ATOM 1088 N LEU A 92 0.478 16.980 1.404 1.00 3.01 N ATOM 1089 CA LEU A 92 -0.101 18.143 2.078 1.00 63.33 C ATOM 1090 C LEU A 92 -0.437 19.172 0.987 1.00 40.44 C ATOM 1091 O LEU A 92 0.470 19.730 0.359 1.00 22.24 O ATOM 1092 CB LEU A 92 0.912 18.726 3.127 1.00 61.31 C ATOM 1093 CG LEU A 92 0.319 19.602 4.293 1.00 32.42 C ATOM 1094 CD1 LEU A 92 1.401 19.923 5.350 1.00 23.23 C ATOM 1095 CD2 LEU A 92 -0.348 20.914 3.794 1.00 52.35 C ATOM 0 H LEU A 92 1.498 16.977 1.397 1.00 3.01 H new ATOM 0 HA LEU A 92 -1.002 17.873 2.629 1.00 63.33 H new ATOM 0 HB2 LEU A 92 1.453 17.892 3.573 1.00 61.31 H new ATOM 0 HB3 LEU A 92 1.644 19.330 2.590 1.00 61.31 H new ATOM 0 HG LEU A 92 -0.466 19.001 4.752 1.00 32.42 H new ATOM 0 HD11 LEU A 92 0.965 20.529 6.144 1.00 23.23 H new ATOM 0 HD12 LEU A 92 1.785 18.994 5.771 1.00 23.23 H new ATOM 0 HD13 LEU A 92 2.217 20.473 4.880 1.00 23.23 H new ATOM 0 HD21 LEU A 92 -0.736 21.472 4.646 1.00 52.35 H new ATOM 0 HD22 LEU A 92 0.390 21.521 3.269 1.00 52.35 H new ATOM 0 HD23 LEU A 92 -1.166 20.671 3.116 1.00 52.35 H new ATOM 1107 N GLU A 93 -1.731 19.368 0.729 1.00 22.34 N ATOM 1108 CA GLU A 93 -2.214 20.406 -0.190 1.00 4.15 C ATOM 1109 C GLU A 93 -3.381 21.130 0.514 1.00 55.35 C ATOM 1110 O GLU A 93 -4.508 20.623 0.546 1.00 51.33 O ATOM 1111 CB GLU A 93 -2.638 19.776 -1.557 1.00 50.44 C ATOM 1112 CG GLU A 93 -2.486 20.700 -2.792 1.00 43.11 C ATOM 1113 CD GLU A 93 -3.297 22.007 -2.712 1.00 73.45 C ATOM 1114 OE1 GLU A 93 -4.527 21.961 -2.901 1.00 5.21 O ATOM 1115 OE2 GLU A 93 -2.709 23.082 -2.448 1.00 33.22 O ATOM 0 H GLU A 93 -2.476 18.813 1.150 1.00 22.34 H new ATOM 0 HA GLU A 93 -1.430 21.126 -0.424 1.00 4.15 H new ATOM 0 HB2 GLU A 93 -2.045 18.877 -1.722 1.00 50.44 H new ATOM 0 HB3 GLU A 93 -3.679 19.462 -1.485 1.00 50.44 H new ATOM 0 HG2 GLU A 93 -1.432 20.948 -2.918 1.00 43.11 H new ATOM 0 HG3 GLU A 93 -2.793 20.150 -3.682 1.00 43.11 H new ATOM 1122 N HIS A 94 -3.071 22.291 1.126 1.00 34.33 N ATOM 1123 CA HIS A 94 -4.035 23.089 1.909 1.00 55.42 C ATOM 1124 C HIS A 94 -4.949 23.894 0.964 1.00 14.25 C ATOM 1125 O HIS A 94 -4.671 25.055 0.636 1.00 44.31 O ATOM 1126 CB HIS A 94 -3.278 24.026 2.900 1.00 63.10 C ATOM 1127 CG HIS A 94 -4.175 24.883 3.771 1.00 22.51 C ATOM 1128 ND1 HIS A 94 -4.498 26.189 3.468 1.00 44.32 N ATOM 1129 CD2 HIS A 94 -4.832 24.602 4.921 1.00 21.24 C ATOM 1130 CE1 HIS A 94 -5.312 26.665 4.389 1.00 24.23 C ATOM 1131 NE2 HIS A 94 -5.531 25.723 5.283 1.00 61.23 N ATOM 0 H HIS A 94 -2.139 22.703 1.090 1.00 34.33 H new ATOM 0 HA HIS A 94 -4.664 22.418 2.494 1.00 55.42 H new ATOM 0 HB2 HIS A 94 -2.645 23.416 3.544 1.00 63.10 H new ATOM 0 HB3 HIS A 94 -2.618 24.679 2.329 1.00 63.10 H new ATOM 0 HD2 HIS A 94 -4.809 23.664 5.456 1.00 21.24 H new ATOM 0 HE1 HIS A 94 -5.730 27.661 4.407 1.00 24.23 H new ATOM 0 HE2 HIS A 94 -6.123 25.813 6.109 1.00 61.23 H new ATOM 1140 N HIS A 95 -6.007 23.234 0.469 1.00 34.13 N ATOM 1141 CA HIS A 95 -7.054 23.883 -0.344 1.00 10.31 C ATOM 1142 C HIS A 95 -8.297 24.154 0.520 1.00 61.00 C ATOM 1143 O HIS A 95 -8.848 25.256 0.494 1.00 21.40 O ATOM 1144 CB HIS A 95 -7.426 23.007 -1.564 1.00 61.40 C ATOM 1145 CG HIS A 95 -8.497 23.601 -2.447 1.00 55.54 C ATOM 1146 ND1 HIS A 95 -9.669 22.944 -2.752 1.00 32.32 N ATOM 1147 CD2 HIS A 95 -8.569 24.802 -3.079 1.00 44.43 C ATOM 1148 CE1 HIS A 95 -10.415 23.710 -3.527 1.00 21.22 C ATOM 1149 NE2 HIS A 95 -9.776 24.843 -3.734 1.00 72.24 N ATOM 0 H HIS A 95 -6.163 22.237 0.619 1.00 34.13 H new ATOM 0 HA HIS A 95 -6.666 24.832 -0.715 1.00 10.31 H new ATOM 0 HB2 HIS A 95 -6.531 22.837 -2.162 1.00 61.40 H new ATOM 0 HB3 HIS A 95 -7.762 22.033 -1.209 1.00 61.40 H new ATOM 0 HD2 HIS A 95 -7.818 25.578 -3.068 1.00 44.43 H new ATOM 0 HE1 HIS A 95 -11.385 23.451 -3.924 1.00 21.22 H new ATOM 0 HE2 HIS A 95 -10.122 25.625 -4.291 1.00 72.24 H new ATOM 1158 N HIS A 96 -8.733 23.132 1.277 1.00 10.33 N ATOM 1159 CA HIS A 96 -9.908 23.225 2.156 1.00 4.43 C ATOM 1160 C HIS A 96 -9.583 22.540 3.493 1.00 23.32 C ATOM 1161 O HIS A 96 -9.789 21.331 3.655 1.00 75.43 O ATOM 1162 CB HIS A 96 -11.161 22.597 1.470 1.00 13.42 C ATOM 1163 CG HIS A 96 -12.488 22.886 2.145 1.00 44.11 C ATOM 1164 ND1 HIS A 96 -13.573 23.393 1.468 1.00 51.33 N ATOM 1165 CD2 HIS A 96 -12.902 22.740 3.430 1.00 62.13 C ATOM 1166 CE1 HIS A 96 -14.586 23.537 2.296 1.00 64.04 C ATOM 1167 NE2 HIS A 96 -14.206 23.149 3.497 1.00 55.02 N ATOM 0 H HIS A 96 -8.279 22.219 1.295 1.00 10.33 H new ATOM 0 HA HIS A 96 -10.146 24.271 2.348 1.00 4.43 H new ATOM 0 HB2 HIS A 96 -11.210 22.957 0.442 1.00 13.42 H new ATOM 0 HB3 HIS A 96 -11.025 21.517 1.423 1.00 13.42 H new ATOM 0 HD2 HIS A 96 -12.308 22.368 4.252 1.00 62.13 H new ATOM 0 HE1 HIS A 96 -15.565 23.911 2.035 1.00 64.04 H new ATOM 0 HE2 HIS A 96 -14.787 23.153 4.336 1.00 55.02 H new ATOM 1176 N HIS A 97 -9.022 23.322 4.423 1.00 65.14 N ATOM 1177 CA HIS A 97 -8.748 22.879 5.794 1.00 62.34 C ATOM 1178 C HIS A 97 -8.712 24.115 6.704 1.00 1.23 C ATOM 1179 O HIS A 97 -7.639 24.636 7.027 1.00 72.52 O ATOM 1180 CB HIS A 97 -7.423 22.062 5.864 1.00 15.24 C ATOM 1181 CG HIS A 97 -7.079 21.525 7.234 1.00 24.44 C ATOM 1182 ND1 HIS A 97 -6.397 22.262 8.176 1.00 63.31 N ATOM 1183 CD2 HIS A 97 -7.328 20.326 7.816 1.00 54.22 C ATOM 1184 CE1 HIS A 97 -6.245 21.549 9.271 1.00 2.44 C ATOM 1185 NE2 HIS A 97 -6.802 20.368 9.085 1.00 22.11 N ATOM 0 H HIS A 97 -8.744 24.287 4.243 1.00 65.14 H new ATOM 0 HA HIS A 97 -9.537 22.209 6.135 1.00 62.34 H new ATOM 0 HB2 HIS A 97 -7.492 21.226 5.168 1.00 15.24 H new ATOM 0 HB3 HIS A 97 -6.604 22.695 5.522 1.00 15.24 H new ATOM 0 HD1 HIS A 97 -6.061 23.216 8.045 1.00 63.31 H new ATOM 0 HD2 HIS A 97 -7.845 19.492 7.365 1.00 54.22 H new ATOM 0 HE1 HIS A 97 -5.747 21.876 10.172 1.00 2.44 H new ATOM 1194 N HIS A 98 -9.914 24.617 7.032 1.00 61.42 N ATOM 1195 CA HIS A 98 -10.122 25.768 7.932 1.00 73.22 C ATOM 1196 C HIS A 98 -11.626 26.006 8.085 1.00 64.13 C ATOM 1197 O HIS A 98 -12.172 25.940 9.191 1.00 32.22 O ATOM 1198 CB HIS A 98 -9.431 27.057 7.404 1.00 64.31 C ATOM 1199 CG HIS A 98 -9.665 28.282 8.256 1.00 23.30 C ATOM 1200 ND1 HIS A 98 -10.050 29.499 7.741 1.00 64.02 N ATOM 1201 CD2 HIS A 98 -9.552 28.466 9.592 1.00 71.13 C ATOM 1202 CE1 HIS A 98 -10.155 30.373 8.719 1.00 43.15 C ATOM 1203 NE2 HIS A 98 -9.862 29.772 9.851 1.00 1.40 N ATOM 0 H HIS A 98 -10.786 24.228 6.673 1.00 61.42 H new ATOM 0 HA HIS A 98 -9.671 25.536 8.897 1.00 73.22 H new ATOM 0 HB2 HIS A 98 -8.358 26.877 7.334 1.00 64.31 H new ATOM 0 HB3 HIS A 98 -9.787 27.258 6.394 1.00 64.31 H new ATOM 0 HD2 HIS A 98 -9.269 27.719 10.319 1.00 71.13 H new ATOM 0 HE1 HIS A 98 -10.435 31.410 8.610 1.00 43.15 H new ATOM 0 HE2 HIS A 98 -9.865 30.209 10.773 1.00 1.40 H new ATOM 1212 N HIS A 99 -12.271 26.281 6.945 1.00 13.53 N ATOM 1213 CA HIS A 99 -13.703 26.579 6.850 1.00 25.14 C ATOM 1214 C HIS A 99 -14.111 26.438 5.366 1.00 35.32 C ATOM 1215 O HIS A 99 -14.850 25.499 5.030 1.00 25.33 O ATOM 1216 CB HIS A 99 -14.022 28.008 7.398 1.00 3.12 C ATOM 1217 CG HIS A 99 -15.435 28.474 7.128 1.00 20.11 C ATOM 1218 ND1 HIS A 99 -15.724 29.669 6.505 1.00 13.43 N ATOM 1219 CD2 HIS A 99 -16.635 27.900 7.396 1.00 75.23 C ATOM 1220 CE1 HIS A 99 -17.029 29.802 6.388 1.00 73.10 C ATOM 1221 NE2 HIS A 99 -17.607 28.746 6.922 1.00 43.35 N ATOM 1222 OXT HIS A 99 -13.636 27.245 4.539 1.00 37.54 O ATOM 0 H HIS A 99 -11.799 26.303 6.041 1.00 13.53 H new ATOM 0 HA HIS A 99 -14.275 25.882 7.463 1.00 25.14 H new ATOM 0 HB2 HIS A 99 -13.847 28.020 8.474 1.00 3.12 H new ATOM 0 HB3 HIS A 99 -13.326 28.719 6.954 1.00 3.12 H new ATOM 0 HD2 HIS A 99 -16.796 26.953 7.890 1.00 75.23 H new ATOM 0 HE1 HIS A 99 -17.539 30.637 5.931 1.00 73.10 H new ATOM 0 HE2 HIS A 99 -18.613 28.583 6.975 1.00 43.35 H new TER 1231 HIS A 99