USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 604 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 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 78 HIS : no HE2:sc= 0.497 K(o=0.5,f=-2.1) USER MOD Set 2.1: A 54 SER OG : rot -130:sc= 0.363 USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0.339 USER MOD Set 3.1: A 45 TYR OH : rot -145:sc= -0.841! USER MOD Set 3.2: A 48 THR OG1 : rot 65:sc= 0.68 USER MOD Set 4.1: A 9 TYR OH : rot 8:sc= 0.234 USER MOD Set 4.2: A 35 TYR OH : rot 100:sc= 0.227 USER MOD Set 4.3: A 38 THR OG1 : rot 36:sc= 0.427 USER MOD Set 5.1: A 6 THR OG1 : rot 180:sc= 0.11 USER MOD Set 5.2: A 71 ASN : amide:sc= 0.207 K(o=0.32,f=-3.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.011 (180deg=-0.275) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= 0.442 (180deg=0.0922) USER MOD Single : A 18 GLN : amide:sc= -0.872 K(o=-0.87,f=-0.37) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= -0.036 (180deg=-0.237) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0397 USER MOD Single : A 34 THR OG1 : rot 39:sc= 0.266 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -32:sc= 0.437 USER MOD Single : A 75 HIS : no HD1:sc= -0.0158 K(o=-0.016,f=-0.88) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.3) USER MOD Single : A 85 HIS : no HD1:sc=-0.00202 X(o=-0.002,f=-0.002) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.466 22.446 1.710 1.00 2.12 N ATOM 2 CA MET A 1 -6.244 22.393 0.863 1.00 64.44 C ATOM 3 C MET A 1 -6.226 21.097 0.024 1.00 15.32 C ATOM 4 O MET A 1 -7.021 20.183 0.274 1.00 4.54 O ATOM 5 CB MET A 1 -4.975 22.470 1.756 1.00 75.12 C ATOM 6 CG MET A 1 -4.895 23.702 2.664 1.00 33.53 C ATOM 7 SD MET A 1 -3.454 23.656 3.756 1.00 53.24 S ATOM 8 CE MET A 1 -3.642 25.177 4.691 1.00 33.41 C ATOM 0 H1 MET A 1 -7.896 23.390 1.640 1.00 2.12 H new ATOM 0 H2 MET A 1 -8.146 21.730 1.383 1.00 2.12 H new ATOM 0 H3 MET A 1 -7.211 22.255 2.700 1.00 2.12 H new ATOM 0 HA MET A 1 -6.252 23.246 0.184 1.00 64.44 H new ATOM 0 HB2 MET A 1 -4.932 21.576 2.378 1.00 75.12 H new ATOM 0 HB3 MET A 1 -4.095 22.454 1.113 1.00 75.12 H new ATOM 0 HG2 MET A 1 -4.854 24.602 2.050 1.00 33.53 H new ATOM 0 HG3 MET A 1 -5.802 23.767 3.265 1.00 33.53 H new ATOM 0 HE1 MET A 1 -2.820 25.272 5.400 1.00 33.41 H new ATOM 0 HE2 MET A 1 -3.633 26.027 4.009 1.00 33.41 H new ATOM 0 HE3 MET A 1 -4.588 25.157 5.232 1.00 33.41 H new ATOM 20 N ASP A 2 -5.332 21.033 -0.981 1.00 32.14 N ATOM 21 CA ASP A 2 -5.076 19.789 -1.740 1.00 42.32 C ATOM 22 C ASP A 2 -4.279 18.802 -0.859 1.00 10.44 C ATOM 23 O ASP A 2 -3.083 18.992 -0.612 1.00 73.04 O ATOM 24 CB ASP A 2 -4.326 20.086 -3.061 1.00 72.11 C ATOM 25 CG ASP A 2 -5.152 20.968 -4.007 1.00 34.35 C ATOM 26 OD1 ASP A 2 -5.942 20.420 -4.810 1.00 41.33 O ATOM 27 OD2 ASP A 2 -5.039 22.213 -3.933 1.00 72.23 O ATOM 0 H ASP A 2 -4.773 21.829 -1.288 1.00 32.14 H new ATOM 0 HA ASP A 2 -6.031 19.335 -2.005 1.00 42.32 H new ATOM 0 HB2 ASP A 2 -3.381 20.581 -2.838 1.00 72.11 H new ATOM 0 HB3 ASP A 2 -4.085 19.147 -3.559 1.00 72.11 H new ATOM 32 N GLU A 3 -4.977 17.770 -0.372 1.00 14.42 N ATOM 33 CA GLU A 3 -4.436 16.777 0.579 1.00 64.25 C ATOM 34 C GLU A 3 -3.691 15.656 -0.168 1.00 4.45 C ATOM 35 O GLU A 3 -3.846 15.511 -1.379 1.00 53.31 O ATOM 36 CB GLU A 3 -5.610 16.188 1.405 1.00 61.02 C ATOM 37 CG GLU A 3 -6.508 17.245 2.075 1.00 73.40 C ATOM 38 CD GLU A 3 -5.761 18.095 3.109 1.00 33.24 C ATOM 39 OE1 GLU A 3 -5.448 17.568 4.192 1.00 21.45 O ATOM 40 OE2 GLU A 3 -5.476 19.285 2.844 1.00 11.22 O ATOM 0 H GLU A 3 -5.949 17.594 -0.628 1.00 14.42 H new ATOM 0 HA GLU A 3 -3.723 17.263 1.245 1.00 64.25 H new ATOM 0 HB2 GLU A 3 -6.224 15.569 0.751 1.00 61.02 H new ATOM 0 HB3 GLU A 3 -5.204 15.533 2.175 1.00 61.02 H new ATOM 0 HG2 GLU A 3 -6.925 17.898 1.309 1.00 73.40 H new ATOM 0 HG3 GLU A 3 -7.347 16.746 2.560 1.00 73.40 H new ATOM 47 N ASP A 4 -2.875 14.876 0.553 1.00 2.32 N ATOM 48 CA ASP A 4 -2.148 13.734 -0.042 1.00 44.23 C ATOM 49 C ASP A 4 -1.895 12.609 0.983 1.00 33.43 C ATOM 50 O ASP A 4 -2.035 12.804 2.192 1.00 52.12 O ATOM 51 CB ASP A 4 -0.820 14.213 -0.688 1.00 42.42 C ATOM 52 CG ASP A 4 0.139 14.870 0.313 1.00 44.35 C ATOM 53 OD1 ASP A 4 -0.003 16.080 0.578 1.00 20.25 O ATOM 54 OD2 ASP A 4 1.036 14.181 0.848 1.00 21.03 O ATOM 0 H ASP A 4 -2.698 15.010 1.549 1.00 2.32 H new ATOM 0 HA ASP A 4 -2.781 13.312 -0.823 1.00 44.23 H new ATOM 0 HB2 ASP A 4 -0.322 13.362 -1.153 1.00 42.42 H new ATOM 0 HB3 ASP A 4 -1.046 14.923 -1.484 1.00 42.42 H new ATOM 59 N ALA A 5 -1.504 11.440 0.458 1.00 11.43 N ATOM 60 CA ALA A 5 -1.207 10.234 1.249 1.00 10.44 C ATOM 61 C ALA A 5 -0.038 9.457 0.618 1.00 21.50 C ATOM 62 O ALA A 5 0.087 9.397 -0.611 1.00 54.13 O ATOM 63 CB ALA A 5 -2.451 9.352 1.339 1.00 24.13 C ATOM 0 H ALA A 5 -1.383 11.302 -0.545 1.00 11.43 H new ATOM 0 HA ALA A 5 -0.916 10.533 2.256 1.00 10.44 H new ATOM 0 HB1 ALA A 5 -2.224 8.462 1.925 1.00 24.13 H new ATOM 0 HB2 ALA A 5 -3.257 9.907 1.819 1.00 24.13 H new ATOM 0 HB3 ALA A 5 -2.761 9.057 0.337 1.00 24.13 H new ATOM 69 N THR A 6 0.801 8.847 1.462 1.00 13.22 N ATOM 70 CA THR A 6 2.035 8.160 1.022 1.00 74.43 C ATOM 71 C THR A 6 1.909 6.623 1.165 1.00 25.45 C ATOM 72 O THR A 6 1.318 6.119 2.123 1.00 71.31 O ATOM 73 CB THR A 6 3.266 8.676 1.828 1.00 13.22 C ATOM 74 OG1 THR A 6 3.085 8.424 3.221 1.00 11.54 O ATOM 75 CG2 THR A 6 3.511 10.185 1.615 1.00 12.03 C ATOM 0 H THR A 6 0.650 8.812 2.470 1.00 13.22 H new ATOM 0 HA THR A 6 2.182 8.389 -0.033 1.00 74.43 H new ATOM 0 HB THR A 6 4.137 8.135 1.459 1.00 13.22 H new ATOM 0 HG1 THR A 6 3.865 8.751 3.717 1.00 11.54 H new ATOM 0 HG21 THR A 6 4.378 10.498 2.196 1.00 12.03 H new ATOM 0 HG22 THR A 6 3.693 10.378 0.558 1.00 12.03 H new ATOM 0 HG23 THR A 6 2.635 10.745 1.940 1.00 12.03 H new ATOM 83 N ILE A 7 2.483 5.884 0.196 1.00 64.03 N ATOM 84 CA ILE A 7 2.373 4.401 0.104 1.00 24.24 C ATOM 85 C ILE A 7 3.777 3.745 0.096 1.00 73.03 C ATOM 86 O ILE A 7 4.580 4.014 -0.796 1.00 71.42 O ATOM 87 CB ILE A 7 1.601 3.987 -1.209 1.00 61.23 C ATOM 88 CG1 ILE A 7 0.223 4.724 -1.302 1.00 2.52 C ATOM 89 CG2 ILE A 7 1.418 2.446 -1.300 1.00 43.24 C ATOM 90 CD1 ILE A 7 -0.441 4.656 -2.663 1.00 72.22 C ATOM 0 H ILE A 7 3.041 6.294 -0.553 1.00 64.03 H new ATOM 0 HA ILE A 7 1.821 4.052 0.977 1.00 24.24 H new ATOM 0 HB ILE A 7 2.208 4.295 -2.060 1.00 61.23 H new ATOM 0 HG12 ILE A 7 -0.453 4.297 -0.561 1.00 2.52 H new ATOM 0 HG13 ILE A 7 0.368 5.771 -1.035 1.00 2.52 H new ATOM 0 HG21 ILE A 7 0.883 2.197 -2.216 1.00 43.24 H new ATOM 0 HG22 ILE A 7 2.395 1.963 -1.308 1.00 43.24 H new ATOM 0 HG23 ILE A 7 0.847 2.096 -0.440 1.00 43.24 H new ATOM 0 HD11 ILE A 7 -1.389 5.193 -2.633 1.00 72.22 H new ATOM 0 HD12 ILE A 7 0.210 5.111 -3.409 1.00 72.22 H new ATOM 0 HD13 ILE A 7 -0.623 3.614 -2.928 1.00 72.22 H new ATOM 102 N THR A 8 4.057 2.861 1.069 1.00 14.14 N ATOM 103 CA THR A 8 5.365 2.168 1.189 1.00 40.44 C ATOM 104 C THR A 8 5.181 0.630 1.173 1.00 33.31 C ATOM 105 O THR A 8 4.548 0.066 2.069 1.00 60.21 O ATOM 106 CB THR A 8 6.111 2.595 2.506 1.00 44.14 C ATOM 107 OG1 THR A 8 6.299 4.021 2.520 1.00 62.34 O ATOM 108 CG2 THR A 8 7.484 1.903 2.660 1.00 44.44 C ATOM 0 H THR A 8 3.389 2.603 1.796 1.00 14.14 H new ATOM 0 HA THR A 8 5.969 2.461 0.330 1.00 40.44 H new ATOM 0 HB THR A 8 5.485 2.283 3.342 1.00 44.14 H new ATOM 0 HG1 THR A 8 6.762 4.282 3.343 1.00 62.34 H new ATOM 0 HG21 THR A 8 7.956 2.233 3.585 1.00 44.44 H new ATOM 0 HG22 THR A 8 7.346 0.822 2.689 1.00 44.44 H new ATOM 0 HG23 THR A 8 8.120 2.165 1.815 1.00 44.44 H new ATOM 116 N TYR A 9 5.726 -0.038 0.138 1.00 71.10 N ATOM 117 CA TYR A 9 5.838 -1.517 0.100 1.00 54.45 C ATOM 118 C TYR A 9 7.073 -1.969 0.918 1.00 13.33 C ATOM 119 O TYR A 9 8.119 -1.319 0.870 1.00 33.12 O ATOM 120 CB TYR A 9 5.978 -2.034 -1.361 1.00 21.53 C ATOM 121 CG TYR A 9 4.722 -1.921 -2.251 1.00 32.25 C ATOM 122 CD1 TYR A 9 4.105 -0.686 -2.504 1.00 61.24 C ATOM 123 CD2 TYR A 9 4.167 -3.059 -2.860 1.00 3.25 C ATOM 124 CE1 TYR A 9 2.989 -0.597 -3.316 1.00 54.02 C ATOM 125 CE2 TYR A 9 3.055 -2.966 -3.679 1.00 43.32 C ATOM 126 CZ TYR A 9 2.474 -1.735 -3.904 1.00 34.42 C ATOM 127 OH TYR A 9 1.379 -1.636 -4.726 1.00 11.21 O ATOM 0 H TYR A 9 6.100 0.424 -0.691 1.00 71.10 H new ATOM 0 HA TYR A 9 4.928 -1.935 0.531 1.00 54.45 H new ATOM 0 HB2 TYR A 9 6.788 -1.485 -1.842 1.00 21.53 H new ATOM 0 HB3 TYR A 9 6.279 -3.081 -1.326 1.00 21.53 H new ATOM 0 HD1 TYR A 9 4.509 0.210 -2.057 1.00 61.24 H new ATOM 0 HD2 TYR A 9 4.617 -4.025 -2.686 1.00 3.25 H new ATOM 0 HE1 TYR A 9 2.521 0.361 -3.490 1.00 54.02 H new ATOM 0 HE2 TYR A 9 2.644 -3.852 -4.139 1.00 43.32 H new ATOM 0 HH TYR A 9 1.174 -0.691 -4.885 1.00 11.21 H new ATOM 137 N VAL A 10 6.940 -3.079 1.661 1.00 42.42 N ATOM 138 CA VAL A 10 8.047 -3.703 2.424 1.00 4.11 C ATOM 139 C VAL A 10 7.978 -5.240 2.298 1.00 22.43 C ATOM 140 O VAL A 10 6.900 -5.810 2.097 1.00 41.44 O ATOM 141 CB VAL A 10 8.050 -3.294 3.956 1.00 13.31 C ATOM 142 CG1 VAL A 10 8.347 -1.788 4.150 1.00 4.23 C ATOM 143 CG2 VAL A 10 6.722 -3.682 4.655 1.00 71.13 C ATOM 0 H VAL A 10 6.055 -3.578 1.754 1.00 42.42 H new ATOM 0 HA VAL A 10 8.975 -3.331 1.990 1.00 4.11 H new ATOM 0 HB VAL A 10 8.856 -3.856 4.427 1.00 13.31 H new ATOM 0 HG11 VAL A 10 8.340 -1.550 5.214 1.00 4.23 H new ATOM 0 HG12 VAL A 10 9.326 -1.553 3.732 1.00 4.23 H new ATOM 0 HG13 VAL A 10 7.585 -1.198 3.641 1.00 4.23 H new ATOM 0 HG21 VAL A 10 6.762 -3.386 5.703 1.00 71.13 H new ATOM 0 HG22 VAL A 10 5.891 -3.173 4.166 1.00 71.13 H new ATOM 0 HG23 VAL A 10 6.577 -4.760 4.588 1.00 71.13 H new ATOM 153 N ASP A 11 9.135 -5.900 2.426 1.00 34.43 N ATOM 154 CA ASP A 11 9.253 -7.364 2.350 1.00 21.53 C ATOM 155 C ASP A 11 9.644 -7.929 3.732 1.00 71.15 C ATOM 156 O ASP A 11 10.814 -7.872 4.135 1.00 31.12 O ATOM 157 CB ASP A 11 10.277 -7.763 1.260 1.00 3.23 C ATOM 158 CG ASP A 11 10.505 -9.281 1.171 1.00 52.14 C ATOM 159 OD1 ASP A 11 9.639 -9.999 0.629 1.00 72.24 O ATOM 160 OD2 ASP A 11 11.548 -9.756 1.660 1.00 2.11 O ATOM 0 H ASP A 11 10.026 -5.430 2.587 1.00 34.43 H new ATOM 0 HA ASP A 11 8.291 -7.792 2.070 1.00 21.53 H new ATOM 0 HB2 ASP A 11 9.931 -7.397 0.294 1.00 3.23 H new ATOM 0 HB3 ASP A 11 11.227 -7.271 1.466 1.00 3.23 H new ATOM 165 N ASP A 12 8.641 -8.485 4.426 1.00 75.33 N ATOM 166 CA ASP A 12 8.758 -9.086 5.768 1.00 45.22 C ATOM 167 C ASP A 12 9.823 -10.215 5.814 1.00 12.24 C ATOM 168 O ASP A 12 10.474 -10.425 6.848 1.00 61.32 O ATOM 169 CB ASP A 12 7.357 -9.630 6.172 1.00 1.44 C ATOM 170 CG ASP A 12 7.323 -10.309 7.551 1.00 12.42 C ATOM 171 OD1 ASP A 12 7.172 -9.605 8.566 1.00 3.23 O ATOM 172 OD2 ASP A 12 7.454 -11.550 7.619 1.00 23.04 O ATOM 0 H ASP A 12 7.691 -8.532 4.058 1.00 75.33 H new ATOM 0 HA ASP A 12 9.092 -8.325 6.474 1.00 45.22 H new ATOM 0 HB2 ASP A 12 6.643 -8.806 6.167 1.00 1.44 H new ATOM 0 HB3 ASP A 12 7.025 -10.344 5.419 1.00 1.44 H new ATOM 177 N ASP A 13 10.010 -10.908 4.670 1.00 64.01 N ATOM 178 CA ASP A 13 10.931 -12.057 4.546 1.00 42.43 C ATOM 179 C ASP A 13 12.414 -11.630 4.757 1.00 61.21 C ATOM 180 O ASP A 13 13.241 -12.415 5.235 1.00 34.40 O ATOM 181 CB ASP A 13 10.733 -12.688 3.148 1.00 12.41 C ATOM 182 CG ASP A 13 11.346 -14.085 3.008 1.00 4.02 C ATOM 183 OD1 ASP A 13 12.550 -14.200 2.695 1.00 72.25 O ATOM 184 OD2 ASP A 13 10.613 -15.072 3.203 1.00 13.15 O ATOM 0 H ASP A 13 9.523 -10.684 3.802 1.00 64.01 H new ATOM 0 HA ASP A 13 10.703 -12.787 5.323 1.00 42.43 H new ATOM 0 HB2 ASP A 13 9.666 -12.747 2.934 1.00 12.41 H new ATOM 0 HB3 ASP A 13 11.173 -12.031 2.398 1.00 12.41 H new ATOM 189 N LYS A 14 12.733 -10.377 4.388 1.00 71.22 N ATOM 190 CA LYS A 14 14.066 -9.760 4.600 1.00 53.42 C ATOM 191 C LYS A 14 13.980 -8.651 5.683 1.00 70.45 C ATOM 192 O LYS A 14 14.533 -7.553 5.526 1.00 23.23 O ATOM 193 CB LYS A 14 14.611 -9.208 3.247 1.00 15.20 C ATOM 194 CG LYS A 14 14.929 -10.263 2.147 1.00 5.22 C ATOM 195 CD LYS A 14 16.255 -11.057 2.372 1.00 50.41 C ATOM 196 CE LYS A 14 16.148 -12.234 3.368 1.00 21.34 C ATOM 197 NZ LYS A 14 15.171 -13.258 2.922 1.00 14.01 N ATOM 0 H LYS A 14 12.070 -9.753 3.929 1.00 71.22 H new ATOM 0 HA LYS A 14 14.765 -10.515 4.962 1.00 53.42 H new ATOM 0 HB2 LYS A 14 13.881 -8.505 2.846 1.00 15.20 H new ATOM 0 HB3 LYS A 14 15.520 -8.642 3.450 1.00 15.20 H new ATOM 0 HG2 LYS A 14 14.102 -10.971 2.091 1.00 5.22 H new ATOM 0 HG3 LYS A 14 14.982 -9.758 1.182 1.00 5.22 H new ATOM 0 HD2 LYS A 14 16.598 -11.443 1.412 1.00 50.41 H new ATOM 0 HD3 LYS A 14 17.019 -10.366 2.729 1.00 50.41 H new ATOM 0 HE2 LYS A 14 17.128 -12.697 3.488 1.00 21.34 H new ATOM 0 HE3 LYS A 14 15.853 -11.854 4.346 1.00 21.34 H new ATOM 0 HZ1 LYS A 14 15.299 -14.126 3.480 1.00 14.01 H new ATOM 0 HZ2 LYS A 14 14.205 -12.898 3.058 1.00 14.01 H new ATOM 0 HZ3 LYS A 14 15.324 -13.468 1.915 1.00 14.01 H new ATOM 211 N GLY A 15 13.281 -8.972 6.792 1.00 72.44 N ATOM 212 CA GLY A 15 13.165 -8.078 7.957 1.00 50.35 C ATOM 213 C GLY A 15 12.424 -6.754 7.701 1.00 53.20 C ATOM 214 O GLY A 15 12.624 -5.781 8.439 1.00 5.22 O ATOM 0 H GLY A 15 12.784 -9.856 6.902 1.00 72.44 H new ATOM 0 HA2 GLY A 15 12.651 -8.614 8.755 1.00 50.35 H new ATOM 0 HA3 GLY A 15 14.167 -7.850 8.320 1.00 50.35 H new ATOM 218 N GLY A 16 11.559 -6.729 6.673 1.00 15.04 N ATOM 219 CA GLY A 16 10.826 -5.510 6.284 1.00 32.34 C ATOM 220 C GLY A 16 11.596 -4.648 5.272 1.00 11.12 C ATOM 221 O GLY A 16 11.575 -3.416 5.354 1.00 23.42 O ATOM 0 H GLY A 16 11.349 -7.542 6.094 1.00 15.04 H new ATOM 0 HA2 GLY A 16 9.864 -5.791 5.856 1.00 32.34 H new ATOM 0 HA3 GLY A 16 10.618 -4.917 7.175 1.00 32.34 H new ATOM 225 N ALA A 17 12.275 -5.309 4.306 1.00 14.43 N ATOM 226 CA ALA A 17 13.072 -4.631 3.256 1.00 30.23 C ATOM 227 C ALA A 17 12.170 -3.903 2.225 1.00 65.42 C ATOM 228 O ALA A 17 11.405 -4.550 1.508 1.00 35.53 O ATOM 229 CB ALA A 17 13.983 -5.653 2.556 1.00 33.10 C ATOM 0 H ALA A 17 12.286 -6.326 4.232 1.00 14.43 H new ATOM 0 HA ALA A 17 13.686 -3.869 3.736 1.00 30.23 H new ATOM 0 HB1 ALA A 17 14.567 -5.151 1.785 1.00 33.10 H new ATOM 0 HB2 ALA A 17 14.656 -6.101 3.287 1.00 33.10 H new ATOM 0 HB3 ALA A 17 13.372 -6.432 2.099 1.00 33.10 H new ATOM 235 N GLN A 18 12.303 -2.562 2.138 1.00 74.03 N ATOM 236 CA GLN A 18 11.428 -1.708 1.299 1.00 61.20 C ATOM 237 C GLN A 18 11.507 -2.096 -0.208 1.00 4.43 C ATOM 238 O GLN A 18 12.597 -2.191 -0.779 1.00 43.11 O ATOM 239 CB GLN A 18 11.803 -0.211 1.502 1.00 4.14 C ATOM 240 CG GLN A 18 10.915 0.796 0.727 1.00 31.15 C ATOM 241 CD GLN A 18 11.304 2.262 0.959 1.00 21.20 C ATOM 242 OE1 GLN A 18 12.465 2.588 1.194 1.00 50.01 O ATOM 243 NE2 GLN A 18 10.339 3.164 0.883 1.00 30.23 N ATOM 0 H GLN A 18 13.018 -2.040 2.645 1.00 74.03 H new ATOM 0 HA GLN A 18 10.397 -1.868 1.616 1.00 61.20 H new ATOM 0 HB2 GLN A 18 11.747 0.021 2.565 1.00 4.14 H new ATOM 0 HB3 GLN A 18 12.840 -0.067 1.198 1.00 4.14 H new ATOM 0 HG2 GLN A 18 10.977 0.577 -0.339 1.00 31.15 H new ATOM 0 HG3 GLN A 18 9.876 0.653 1.022 1.00 31.15 H new ATOM 0 HE21 GLN A 18 9.382 2.871 0.687 1.00 30.23 H new ATOM 0 HE22 GLN A 18 10.552 4.152 1.021 1.00 30.23 H new ATOM 252 N VAL A 19 10.329 -2.329 -0.825 1.00 61.34 N ATOM 253 CA VAL A 19 10.206 -2.754 -2.241 1.00 74.23 C ATOM 254 C VAL A 19 9.749 -1.544 -3.090 1.00 33.34 C ATOM 255 O VAL A 19 8.588 -1.134 -3.023 1.00 25.44 O ATOM 256 CB VAL A 19 9.180 -3.948 -2.396 1.00 41.30 C ATOM 257 CG1 VAL A 19 9.078 -4.432 -3.868 1.00 4.13 C ATOM 258 CG2 VAL A 19 9.541 -5.120 -1.450 1.00 45.24 C ATOM 0 H VAL A 19 9.430 -2.228 -0.354 1.00 61.34 H new ATOM 0 HA VAL A 19 11.177 -3.108 -2.588 1.00 74.23 H new ATOM 0 HB VAL A 19 8.199 -3.571 -2.108 1.00 41.30 H new ATOM 0 HG11 VAL A 19 8.364 -5.253 -3.932 1.00 4.13 H new ATOM 0 HG12 VAL A 19 8.743 -3.609 -4.499 1.00 4.13 H new ATOM 0 HG13 VAL A 19 10.056 -4.775 -4.207 1.00 4.13 H new ATOM 0 HG21 VAL A 19 8.819 -5.926 -1.578 1.00 45.24 H new ATOM 0 HG22 VAL A 19 10.540 -5.486 -1.689 1.00 45.24 H new ATOM 0 HG23 VAL A 19 9.519 -4.774 -0.417 1.00 45.24 H new ATOM 268 N GLY A 20 10.672 -0.972 -3.875 1.00 45.12 N ATOM 269 CA GLY A 20 10.399 0.256 -4.639 1.00 73.24 C ATOM 270 C GLY A 20 10.447 1.520 -3.774 1.00 42.42 C ATOM 271 O GLY A 20 11.039 1.519 -2.689 1.00 71.32 O ATOM 0 H GLY A 20 11.615 -1.339 -3.999 1.00 45.12 H new ATOM 0 HA2 GLY A 20 11.127 0.346 -5.445 1.00 73.24 H new ATOM 0 HA3 GLY A 20 9.416 0.177 -5.104 1.00 73.24 H new ATOM 275 N ASP A 21 9.827 2.606 -4.257 1.00 31.03 N ATOM 276 CA ASP A 21 9.813 3.915 -3.558 1.00 62.11 C ATOM 277 C ASP A 21 8.434 4.218 -2.930 1.00 51.15 C ATOM 278 O ASP A 21 7.478 3.444 -3.076 1.00 34.34 O ATOM 279 CB ASP A 21 10.208 5.042 -4.542 1.00 72.12 C ATOM 280 CG ASP A 21 11.617 4.855 -5.112 1.00 43.24 C ATOM 281 OD1 ASP A 21 12.599 5.083 -4.374 1.00 2.35 O ATOM 282 OD2 ASP A 21 11.753 4.457 -6.286 1.00 32.13 O ATOM 0 H ASP A 21 9.319 2.610 -5.142 1.00 31.03 H new ATOM 0 HA ASP A 21 10.540 3.866 -2.747 1.00 62.11 H new ATOM 0 HB2 ASP A 21 9.489 5.073 -5.361 1.00 72.12 H new ATOM 0 HB3 ASP A 21 10.151 6.003 -4.031 1.00 72.12 H new ATOM 287 N ILE A 22 8.356 5.361 -2.223 1.00 11.31 N ATOM 288 CA ILE A 22 7.108 5.849 -1.600 1.00 21.02 C ATOM 289 C ILE A 22 6.214 6.573 -2.653 1.00 12.02 C ATOM 290 O ILE A 22 6.667 7.511 -3.318 1.00 70.12 O ATOM 291 CB ILE A 22 7.433 6.805 -0.391 1.00 31.44 C ATOM 292 CG1 ILE A 22 8.305 6.064 0.681 1.00 50.41 C ATOM 293 CG2 ILE A 22 6.137 7.368 0.237 1.00 61.22 C ATOM 294 CD1 ILE A 22 8.687 6.905 1.895 1.00 50.40 C ATOM 0 H ILE A 22 9.156 5.974 -2.067 1.00 11.31 H new ATOM 0 HA ILE A 22 6.555 4.991 -1.219 1.00 21.02 H new ATOM 0 HB ILE A 22 8.009 7.649 -0.771 1.00 31.44 H new ATOM 0 HG12 ILE A 22 7.761 5.184 1.024 1.00 50.41 H new ATOM 0 HG13 ILE A 22 9.218 5.709 0.202 1.00 50.41 H new ATOM 0 HG21 ILE A 22 6.391 8.025 1.069 1.00 61.22 H new ATOM 0 HG22 ILE A 22 5.584 7.932 -0.514 1.00 61.22 H new ATOM 0 HG23 ILE A 22 5.521 6.545 0.599 1.00 61.22 H new ATOM 0 HD11 ILE A 22 9.289 6.305 2.578 1.00 50.40 H new ATOM 0 HD12 ILE A 22 9.262 7.772 1.570 1.00 50.40 H new ATOM 0 HD13 ILE A 22 7.783 7.239 2.405 1.00 50.40 H new ATOM 306 N VAL A 23 4.946 6.131 -2.791 1.00 75.43 N ATOM 307 CA VAL A 23 3.996 6.638 -3.816 1.00 24.31 C ATOM 308 C VAL A 23 3.004 7.644 -3.175 1.00 72.34 C ATOM 309 O VAL A 23 2.226 7.276 -2.292 1.00 14.31 O ATOM 310 CB VAL A 23 3.194 5.447 -4.474 1.00 5.03 C ATOM 311 CG1 VAL A 23 2.234 5.940 -5.590 1.00 72.35 C ATOM 312 CG2 VAL A 23 4.152 4.345 -5.002 1.00 63.01 C ATOM 0 H VAL A 23 4.546 5.408 -2.193 1.00 75.43 H new ATOM 0 HA VAL A 23 4.571 7.143 -4.592 1.00 24.31 H new ATOM 0 HB VAL A 23 2.577 5.006 -3.691 1.00 5.03 H new ATOM 0 HG11 VAL A 23 1.703 5.089 -6.015 1.00 72.35 H new ATOM 0 HG12 VAL A 23 1.515 6.642 -5.168 1.00 72.35 H new ATOM 0 HG13 VAL A 23 2.809 6.436 -6.372 1.00 72.35 H new ATOM 0 HG21 VAL A 23 3.569 3.540 -5.449 1.00 63.01 H new ATOM 0 HG22 VAL A 23 4.818 4.771 -5.753 1.00 63.01 H new ATOM 0 HG23 VAL A 23 4.743 3.950 -4.176 1.00 63.01 H new ATOM 322 N THR A 24 3.041 8.910 -3.619 1.00 23.32 N ATOM 323 CA THR A 24 2.159 9.978 -3.086 1.00 51.42 C ATOM 324 C THR A 24 0.958 10.220 -4.026 1.00 60.03 C ATOM 325 O THR A 24 1.144 10.655 -5.168 1.00 71.22 O ATOM 326 CB THR A 24 2.933 11.323 -2.904 1.00 54.23 C ATOM 327 OG1 THR A 24 4.138 11.100 -2.147 1.00 54.21 O ATOM 328 CG2 THR A 24 2.079 12.392 -2.193 1.00 65.21 C ATOM 0 H THR A 24 3.675 9.228 -4.352 1.00 23.32 H new ATOM 0 HA THR A 24 1.803 9.638 -2.114 1.00 51.42 H new ATOM 0 HB THR A 24 3.176 11.692 -3.900 1.00 54.23 H new ATOM 0 HG1 THR A 24 4.618 11.948 -2.039 1.00 54.21 H new ATOM 0 HG21 THR A 24 2.658 13.310 -2.088 1.00 65.21 H new ATOM 0 HG22 THR A 24 1.184 12.593 -2.781 1.00 65.21 H new ATOM 0 HG23 THR A 24 1.791 12.030 -1.206 1.00 65.21 H new ATOM 336 N VAL A 25 -0.266 9.933 -3.545 1.00 62.15 N ATOM 337 CA VAL A 25 -1.520 10.239 -4.277 1.00 2.33 C ATOM 338 C VAL A 25 -2.229 11.476 -3.651 1.00 53.12 C ATOM 339 O VAL A 25 -2.241 11.625 -2.431 1.00 65.02 O ATOM 340 CB VAL A 25 -2.492 8.989 -4.309 1.00 1.04 C ATOM 341 CG1 VAL A 25 -1.898 7.843 -5.165 1.00 1.44 C ATOM 342 CG2 VAL A 25 -2.822 8.481 -2.879 1.00 2.24 C ATOM 0 H VAL A 25 -0.419 9.484 -2.642 1.00 62.15 H new ATOM 0 HA VAL A 25 -1.256 10.476 -5.308 1.00 2.33 H new ATOM 0 HB VAL A 25 -3.423 9.319 -4.770 1.00 1.04 H new ATOM 0 HG11 VAL A 25 -2.586 6.998 -5.169 1.00 1.44 H new ATOM 0 HG12 VAL A 25 -1.746 8.193 -6.186 1.00 1.44 H new ATOM 0 HG13 VAL A 25 -0.943 7.531 -4.743 1.00 1.44 H new ATOM 0 HG21 VAL A 25 -3.491 7.623 -2.943 1.00 2.24 H new ATOM 0 HG22 VAL A 25 -1.901 8.186 -2.376 1.00 2.24 H new ATOM 0 HG23 VAL A 25 -3.306 9.277 -2.313 1.00 2.24 H new ATOM 352 N THR A 26 -2.817 12.358 -4.495 1.00 24.42 N ATOM 353 CA THR A 26 -3.416 13.656 -4.041 1.00 71.33 C ATOM 354 C THR A 26 -4.973 13.671 -4.128 1.00 23.42 C ATOM 355 O THR A 26 -5.586 12.819 -4.782 1.00 75.15 O ATOM 356 CB THR A 26 -2.838 14.873 -4.852 1.00 11.14 C ATOM 357 OG1 THR A 26 -3.361 16.117 -4.346 1.00 32.21 O ATOM 358 CG2 THR A 26 -3.152 14.779 -6.357 1.00 3.43 C ATOM 0 H THR A 26 -2.894 12.201 -5.500 1.00 24.42 H new ATOM 0 HA THR A 26 -3.138 13.754 -2.992 1.00 71.33 H new ATOM 0 HB THR A 26 -1.756 14.840 -4.724 1.00 11.14 H new ATOM 0 HG1 THR A 26 -2.989 16.862 -4.862 1.00 32.21 H new ATOM 0 HG21 THR A 26 -2.731 15.643 -6.871 1.00 3.43 H new ATOM 0 HG22 THR A 26 -2.715 13.867 -6.763 1.00 3.43 H new ATOM 0 HG23 THR A 26 -4.232 14.761 -6.503 1.00 3.43 H new ATOM 366 N GLY A 27 -5.595 14.659 -3.453 1.00 2.03 N ATOM 367 CA GLY A 27 -7.053 14.827 -3.448 1.00 5.24 C ATOM 368 C GLY A 27 -7.555 15.800 -2.380 1.00 11.20 C ATOM 369 O GLY A 27 -7.027 16.906 -2.244 1.00 62.20 O ATOM 0 H GLY A 27 -5.098 15.357 -2.900 1.00 2.03 H new ATOM 0 HA2 GLY A 27 -7.373 15.180 -4.428 1.00 5.24 H new ATOM 0 HA3 GLY A 27 -7.522 13.855 -3.291 1.00 5.24 H new ATOM 373 N LYS A 28 -8.594 15.391 -1.634 1.00 15.45 N ATOM 374 CA LYS A 28 -9.194 16.195 -0.541 1.00 34.20 C ATOM 375 C LYS A 28 -9.649 15.263 0.611 1.00 64.21 C ATOM 376 O LYS A 28 -9.998 14.102 0.375 1.00 71.42 O ATOM 377 CB LYS A 28 -10.401 17.020 -1.098 1.00 1.54 C ATOM 378 CG LYS A 28 -11.226 17.820 -0.054 1.00 1.22 C ATOM 379 CD LYS A 28 -10.453 19.009 0.566 1.00 11.43 C ATOM 380 CE LYS A 28 -10.183 20.133 -0.449 1.00 4.42 C ATOM 381 NZ LYS A 28 -11.437 20.691 -1.021 1.00 33.41 N ATOM 0 H LYS A 28 -9.049 14.488 -1.768 1.00 15.45 H new ATOM 0 HA LYS A 28 -8.450 16.888 -0.148 1.00 34.20 H new ATOM 0 HB2 LYS A 28 -10.023 17.719 -1.844 1.00 1.54 H new ATOM 0 HB3 LYS A 28 -11.074 16.336 -1.615 1.00 1.54 H new ATOM 0 HG2 LYS A 28 -12.132 18.195 -0.529 1.00 1.22 H new ATOM 0 HG3 LYS A 28 -11.539 17.146 0.743 1.00 1.22 H new ATOM 0 HD2 LYS A 28 -11.023 19.410 1.404 1.00 11.43 H new ATOM 0 HD3 LYS A 28 -9.505 18.651 0.967 1.00 11.43 H new ATOM 0 HE2 LYS A 28 -9.622 20.931 0.037 1.00 4.42 H new ATOM 0 HE3 LYS A 28 -9.558 19.749 -1.255 1.00 4.42 H new ATOM 0 HZ1 LYS A 28 -11.226 21.577 -1.522 1.00 33.41 H new ATOM 0 HZ2 LYS A 28 -11.850 20.007 -1.687 1.00 33.41 H new ATOM 0 HZ3 LYS A 28 -12.114 20.880 -0.255 1.00 33.41 H new ATOM 395 N THR A 29 -9.630 15.798 1.855 1.00 61.43 N ATOM 396 CA THR A 29 -10.140 15.117 3.084 1.00 1.30 C ATOM 397 C THR A 29 -11.545 14.470 2.923 1.00 61.43 C ATOM 398 O THR A 29 -11.863 13.493 3.613 1.00 21.44 O ATOM 399 CB THR A 29 -10.198 16.114 4.299 1.00 24.40 C ATOM 400 OG1 THR A 29 -10.858 17.328 3.887 1.00 52.10 O ATOM 401 CG2 THR A 29 -8.801 16.445 4.856 1.00 53.53 C ATOM 0 H THR A 29 -9.256 16.728 2.043 1.00 61.43 H new ATOM 0 HA THR A 29 -9.426 14.314 3.267 1.00 1.30 H new ATOM 0 HB THR A 29 -10.757 15.628 5.099 1.00 24.40 H new ATOM 0 HG1 THR A 29 -10.898 17.951 4.642 1.00 52.10 H new ATOM 0 HG21 THR A 29 -8.897 17.137 5.693 1.00 53.53 H new ATOM 0 HG22 THR A 29 -8.319 15.529 5.196 1.00 53.53 H new ATOM 0 HG23 THR A 29 -8.197 16.904 4.074 1.00 53.53 H new ATOM 409 N ASP A 30 -12.369 15.037 2.026 1.00 72.02 N ATOM 410 CA ASP A 30 -13.756 14.599 1.806 1.00 44.24 C ATOM 411 C ASP A 30 -13.848 13.294 0.960 1.00 44.24 C ATOM 412 O ASP A 30 -14.691 12.430 1.247 1.00 72.14 O ATOM 413 CB ASP A 30 -14.546 15.754 1.129 1.00 22.03 C ATOM 414 CG ASP A 30 -16.032 15.423 0.906 1.00 23.13 C ATOM 415 OD1 ASP A 30 -16.782 15.335 1.904 1.00 61.44 O ATOM 416 OD2 ASP A 30 -16.464 15.259 -0.256 1.00 43.43 O ATOM 0 H ASP A 30 -12.089 15.816 1.430 1.00 72.02 H new ATOM 0 HA ASP A 30 -14.195 14.362 2.775 1.00 44.24 H new ATOM 0 HB2 ASP A 30 -14.469 16.649 1.746 1.00 22.03 H new ATOM 0 HB3 ASP A 30 -14.085 15.988 0.170 1.00 22.03 H new ATOM 421 N ASP A 31 -12.987 13.147 -0.073 1.00 73.31 N ATOM 422 CA ASP A 31 -13.065 12.003 -1.019 1.00 60.22 C ATOM 423 C ASP A 31 -12.060 10.878 -0.682 1.00 65.42 C ATOM 424 O ASP A 31 -11.107 11.058 0.088 1.00 75.53 O ATOM 425 CB ASP A 31 -12.887 12.482 -2.491 1.00 71.42 C ATOM 426 CG ASP A 31 -11.505 13.093 -2.788 1.00 25.12 C ATOM 427 OD1 ASP A 31 -11.331 14.301 -2.578 1.00 61.42 O ATOM 428 OD2 ASP A 31 -10.594 12.364 -3.242 1.00 2.42 O ATOM 0 H ASP A 31 -12.232 13.802 -0.275 1.00 73.31 H new ATOM 0 HA ASP A 31 -14.062 11.577 -0.909 1.00 60.22 H new ATOM 0 HB2 ASP A 31 -13.050 11.637 -3.160 1.00 71.42 H new ATOM 0 HB3 ASP A 31 -13.656 13.221 -2.717 1.00 71.42 H new ATOM 433 N SER A 32 -12.309 9.711 -1.293 1.00 1.21 N ATOM 434 CA SER A 32 -11.469 8.503 -1.154 1.00 21.30 C ATOM 435 C SER A 32 -11.146 7.890 -2.534 1.00 31.34 C ATOM 436 O SER A 32 -11.819 8.169 -3.534 1.00 63.34 O ATOM 437 CB SER A 32 -12.175 7.450 -0.264 1.00 40.34 C ATOM 438 OG SER A 32 -13.407 7.021 -0.823 1.00 74.11 O ATOM 0 H SER A 32 -13.111 9.573 -1.908 1.00 1.21 H new ATOM 0 HA SER A 32 -10.534 8.801 -0.680 1.00 21.30 H new ATOM 0 HB2 SER A 32 -11.519 6.590 -0.130 1.00 40.34 H new ATOM 0 HB3 SER A 32 -12.353 7.872 0.725 1.00 40.34 H new ATOM 0 HG SER A 32 -13.820 6.356 -0.233 1.00 74.11 H new ATOM 444 N THR A 33 -10.117 7.042 -2.563 1.00 11.03 N ATOM 445 CA THR A 33 -9.648 6.341 -3.791 1.00 45.11 C ATOM 446 C THR A 33 -9.313 4.868 -3.488 1.00 74.54 C ATOM 447 O THR A 33 -9.128 4.506 -2.338 1.00 74.50 O ATOM 448 CB THR A 33 -8.388 7.050 -4.409 1.00 73.14 C ATOM 449 OG1 THR A 33 -7.944 6.360 -5.591 1.00 63.45 O ATOM 450 CG2 THR A 33 -7.217 7.153 -3.408 1.00 3.11 C ATOM 0 H THR A 33 -9.570 6.810 -1.734 1.00 11.03 H new ATOM 0 HA THR A 33 -10.461 6.381 -4.516 1.00 45.11 H new ATOM 0 HB THR A 33 -8.699 8.062 -4.667 1.00 73.14 H new ATOM 0 HG1 THR A 33 -7.160 6.817 -5.962 1.00 63.45 H new ATOM 0 HG21 THR A 33 -6.373 7.650 -3.886 1.00 3.11 H new ATOM 0 HG22 THR A 33 -7.532 7.728 -2.537 1.00 3.11 H new ATOM 0 HG23 THR A 33 -6.918 6.153 -3.093 1.00 3.11 H new ATOM 458 N THR A 34 -9.256 4.017 -4.526 1.00 14.22 N ATOM 459 CA THR A 34 -8.822 2.600 -4.393 1.00 14.53 C ATOM 460 C THR A 34 -7.527 2.365 -5.209 1.00 11.34 C ATOM 461 O THR A 34 -7.535 2.393 -6.440 1.00 65.42 O ATOM 462 CB THR A 34 -9.939 1.595 -4.845 1.00 14.25 C ATOM 463 OG1 THR A 34 -10.392 1.918 -6.170 1.00 64.41 O ATOM 464 CG2 THR A 34 -11.142 1.588 -3.883 1.00 72.54 C ATOM 0 H THR A 34 -9.506 4.281 -5.479 1.00 14.22 H new ATOM 0 HA THR A 34 -8.627 2.413 -3.337 1.00 14.53 H new ATOM 0 HB THR A 34 -9.495 0.600 -4.834 1.00 14.25 H new ATOM 0 HG1 THR A 34 -9.627 2.186 -6.721 1.00 64.41 H new ATOM 0 HG21 THR A 34 -11.888 0.877 -4.238 1.00 72.54 H new ATOM 0 HG22 THR A 34 -10.809 1.297 -2.887 1.00 72.54 H new ATOM 0 HG23 THR A 34 -11.581 2.585 -3.842 1.00 72.54 H new ATOM 472 N TYR A 35 -6.412 2.145 -4.495 1.00 34.34 N ATOM 473 CA TYR A 35 -5.068 1.949 -5.092 1.00 32.54 C ATOM 474 C TYR A 35 -4.862 0.481 -5.541 1.00 61.11 C ATOM 475 O TYR A 35 -5.278 -0.448 -4.841 1.00 40.32 O ATOM 476 CB TYR A 35 -3.992 2.360 -4.048 1.00 0.54 C ATOM 477 CG TYR A 35 -2.527 2.068 -4.445 1.00 44.15 C ATOM 478 CD1 TYR A 35 -1.910 2.765 -5.488 1.00 33.34 C ATOM 479 CD2 TYR A 35 -1.768 1.099 -3.776 1.00 33.12 C ATOM 480 CE1 TYR A 35 -0.600 2.513 -5.843 1.00 43.21 C ATOM 481 CE2 TYR A 35 -0.458 0.851 -4.129 1.00 43.12 C ATOM 482 CZ TYR A 35 0.120 1.559 -5.164 1.00 61.30 C ATOM 483 OH TYR A 35 1.428 1.317 -5.515 1.00 20.22 O ATOM 0 H TYR A 35 -6.411 2.096 -3.476 1.00 34.34 H new ATOM 0 HA TYR A 35 -4.977 2.574 -5.981 1.00 32.54 H new ATOM 0 HB2 TYR A 35 -4.090 3.428 -3.853 1.00 0.54 H new ATOM 0 HB3 TYR A 35 -4.205 1.844 -3.112 1.00 0.54 H new ATOM 0 HD1 TYR A 35 -2.469 3.516 -6.027 1.00 33.34 H new ATOM 0 HD2 TYR A 35 -2.216 0.537 -2.970 1.00 33.12 H new ATOM 0 HE1 TYR A 35 -0.142 3.064 -6.652 1.00 43.21 H new ATOM 0 HE2 TYR A 35 0.114 0.105 -3.597 1.00 43.12 H new ATOM 0 HH TYR A 35 2.025 1.779 -4.891 1.00 20.22 H new ATOM 493 N THR A 36 -4.195 0.289 -6.699 1.00 70.33 N ATOM 494 CA THR A 36 -3.859 -1.052 -7.232 1.00 4.23 C ATOM 495 C THR A 36 -2.530 -1.549 -6.625 1.00 3.51 C ATOM 496 O THR A 36 -1.461 -0.996 -6.912 1.00 14.23 O ATOM 497 CB THR A 36 -3.750 -1.033 -8.798 1.00 34.14 C ATOM 498 OG1 THR A 36 -4.994 -0.580 -9.361 1.00 32.23 O ATOM 499 CG2 THR A 36 -3.412 -2.421 -9.387 1.00 42.24 C ATOM 0 H THR A 36 -3.874 1.056 -7.290 1.00 70.33 H new ATOM 0 HA THR A 36 -4.664 -1.732 -6.953 1.00 4.23 H new ATOM 0 HB THR A 36 -2.936 -0.355 -9.054 1.00 34.14 H new ATOM 0 HG1 THR A 36 -4.925 -0.567 -10.338 1.00 32.23 H new ATOM 0 HG21 THR A 36 -3.349 -2.350 -10.473 1.00 42.24 H new ATOM 0 HG22 THR A 36 -2.456 -2.762 -8.989 1.00 42.24 H new ATOM 0 HG23 THR A 36 -4.192 -3.132 -9.115 1.00 42.24 H new ATOM 507 N VAL A 37 -2.616 -2.584 -5.777 1.00 45.35 N ATOM 508 CA VAL A 37 -1.447 -3.191 -5.117 1.00 43.51 C ATOM 509 C VAL A 37 -0.771 -4.206 -6.070 1.00 71.34 C ATOM 510 O VAL A 37 -1.332 -5.272 -6.352 1.00 30.42 O ATOM 511 CB VAL A 37 -1.856 -3.899 -3.772 1.00 44.43 C ATOM 512 CG1 VAL A 37 -0.614 -4.404 -2.999 1.00 35.41 C ATOM 513 CG2 VAL A 37 -2.722 -2.966 -2.891 1.00 13.23 C ATOM 0 H VAL A 37 -3.501 -3.026 -5.528 1.00 45.35 H new ATOM 0 HA VAL A 37 -0.741 -2.396 -4.877 1.00 43.51 H new ATOM 0 HB VAL A 37 -2.459 -4.770 -4.029 1.00 44.43 H new ATOM 0 HG11 VAL A 37 -0.932 -4.888 -2.075 1.00 35.41 H new ATOM 0 HG12 VAL A 37 -0.069 -5.120 -3.614 1.00 35.41 H new ATOM 0 HG13 VAL A 37 0.035 -3.561 -2.762 1.00 35.41 H new ATOM 0 HG21 VAL A 37 -2.990 -3.482 -1.969 1.00 13.23 H new ATOM 0 HG22 VAL A 37 -2.158 -2.064 -2.652 1.00 13.23 H new ATOM 0 HG23 VAL A 37 -3.629 -2.694 -3.431 1.00 13.23 H new ATOM 523 N THR A 38 0.435 -3.866 -6.555 1.00 61.55 N ATOM 524 CA THR A 38 1.153 -4.652 -7.584 1.00 74.35 C ATOM 525 C THR A 38 2.261 -5.506 -6.928 1.00 1.50 C ATOM 526 O THR A 38 3.262 -4.981 -6.429 1.00 4.35 O ATOM 527 CB THR A 38 1.767 -3.722 -8.686 1.00 21.03 C ATOM 528 OG1 THR A 38 2.672 -2.769 -8.096 1.00 14.44 O ATOM 529 CG2 THR A 38 0.671 -2.970 -9.466 1.00 61.42 C ATOM 0 H THR A 38 0.944 -3.038 -6.247 1.00 61.55 H new ATOM 0 HA THR A 38 0.432 -5.313 -8.065 1.00 74.35 H new ATOM 0 HB THR A 38 2.312 -4.360 -9.382 1.00 21.03 H new ATOM 0 HG1 THR A 38 3.156 -3.192 -7.356 1.00 14.44 H new ATOM 0 HG21 THR A 38 1.133 -2.335 -10.222 1.00 61.42 H new ATOM 0 HG22 THR A 38 0.011 -3.689 -9.951 1.00 61.42 H new ATOM 0 HG23 THR A 38 0.093 -2.353 -8.778 1.00 61.42 H new ATOM 537 N ILE A 39 2.045 -6.828 -6.916 1.00 72.33 N ATOM 538 CA ILE A 39 2.939 -7.805 -6.258 1.00 14.10 C ATOM 539 C ILE A 39 4.003 -8.318 -7.272 1.00 4.25 C ATOM 540 O ILE A 39 3.636 -8.956 -8.267 1.00 1.40 O ATOM 541 CB ILE A 39 2.115 -9.027 -5.681 1.00 4.15 C ATOM 542 CG1 ILE A 39 0.791 -8.544 -4.988 1.00 0.04 C ATOM 543 CG2 ILE A 39 2.981 -9.867 -4.705 1.00 14.14 C ATOM 544 CD1 ILE A 39 0.969 -7.571 -3.838 1.00 13.20 C ATOM 0 H ILE A 39 1.238 -7.259 -7.366 1.00 72.33 H new ATOM 0 HA ILE A 39 3.440 -7.305 -5.429 1.00 14.10 H new ATOM 0 HB ILE A 39 1.835 -9.666 -6.519 1.00 4.15 H new ATOM 0 HG12 ILE A 39 0.158 -8.076 -5.742 1.00 0.04 H new ATOM 0 HG13 ILE A 39 0.255 -9.419 -4.620 1.00 0.04 H new ATOM 0 HG21 ILE A 39 2.393 -10.701 -4.322 1.00 14.14 H new ATOM 0 HG22 ILE A 39 3.854 -10.251 -5.232 1.00 14.14 H new ATOM 0 HG23 ILE A 39 3.305 -9.240 -3.874 1.00 14.14 H new ATOM 0 HD11 ILE A 39 -0.007 -7.304 -3.433 1.00 13.20 H new ATOM 0 HD12 ILE A 39 1.570 -8.037 -3.057 1.00 13.20 H new ATOM 0 HD13 ILE A 39 1.472 -6.673 -4.196 1.00 13.20 H new ATOM 556 N PRO A 40 5.333 -8.024 -7.059 1.00 65.21 N ATOM 557 CA PRO A 40 6.418 -8.482 -7.978 1.00 5.13 C ATOM 558 C PRO A 40 6.671 -10.021 -7.944 1.00 51.31 C ATOM 559 O PRO A 40 6.173 -10.731 -7.059 1.00 20.05 O ATOM 560 CB PRO A 40 7.657 -7.681 -7.490 1.00 34.53 C ATOM 561 CG PRO A 40 7.377 -7.395 -6.040 1.00 31.34 C ATOM 562 CD PRO A 40 5.875 -7.202 -5.937 1.00 3.40 C ATOM 0 HA PRO A 40 6.162 -8.301 -9.022 1.00 5.13 H new ATOM 0 HB2 PRO A 40 8.574 -8.257 -7.610 1.00 34.53 H new ATOM 0 HB3 PRO A 40 7.783 -6.760 -8.059 1.00 34.53 H new ATOM 0 HG2 PRO A 40 7.709 -8.219 -5.408 1.00 31.34 H new ATOM 0 HG3 PRO A 40 7.909 -6.504 -5.708 1.00 31.34 H new ATOM 0 HD2 PRO A 40 5.493 -7.539 -4.973 1.00 3.40 H new ATOM 0 HD3 PRO A 40 5.598 -6.153 -6.040 1.00 3.40 H new ATOM 570 N ASP A 41 7.452 -10.505 -8.934 1.00 34.31 N ATOM 571 CA ASP A 41 7.773 -11.943 -9.113 1.00 11.50 C ATOM 572 C ASP A 41 8.522 -12.539 -7.887 1.00 1.22 C ATOM 573 O ASP A 41 9.451 -11.925 -7.356 1.00 3.24 O ATOM 574 CB ASP A 41 8.603 -12.135 -10.413 1.00 34.32 C ATOM 575 CG ASP A 41 9.928 -11.346 -10.411 1.00 35.14 C ATOM 576 OD1 ASP A 41 9.890 -10.105 -10.572 1.00 20.43 O ATOM 577 OD2 ASP A 41 11.008 -11.955 -10.212 1.00 53.02 O ATOM 0 H ASP A 41 7.882 -9.906 -9.639 1.00 34.31 H new ATOM 0 HA ASP A 41 6.832 -12.487 -9.198 1.00 11.50 H new ATOM 0 HB2 ASP A 41 8.819 -13.195 -10.545 1.00 34.32 H new ATOM 0 HB3 ASP A 41 8.003 -11.823 -11.268 1.00 34.32 H new ATOM 582 N GLY A 42 8.086 -13.730 -7.438 1.00 3.44 N ATOM 583 CA GLY A 42 8.675 -14.396 -6.266 1.00 54.21 C ATOM 584 C GLY A 42 8.115 -13.910 -4.916 1.00 12.32 C ATOM 585 O GLY A 42 8.500 -14.441 -3.866 1.00 42.40 O ATOM 0 H GLY A 42 7.325 -14.251 -7.873 1.00 3.44 H new ATOM 0 HA2 GLY A 42 8.508 -15.470 -6.350 1.00 54.21 H new ATOM 0 HA3 GLY A 42 9.754 -14.239 -6.277 1.00 54.21 H new ATOM 589 N TYR A 43 7.217 -12.895 -4.935 1.00 64.14 N ATOM 590 CA TYR A 43 6.624 -12.296 -3.707 1.00 0.13 C ATOM 591 C TYR A 43 5.139 -12.714 -3.534 1.00 24.14 C ATOM 592 O TYR A 43 4.439 -13.003 -4.509 1.00 34.11 O ATOM 593 CB TYR A 43 6.720 -10.740 -3.729 1.00 54.02 C ATOM 594 CG TYR A 43 8.146 -10.151 -3.641 1.00 71.52 C ATOM 595 CD1 TYR A 43 9.098 -10.409 -4.630 1.00 10.23 C ATOM 596 CD2 TYR A 43 8.532 -9.318 -2.583 1.00 64.30 C ATOM 597 CE1 TYR A 43 10.367 -9.871 -4.571 1.00 12.41 C ATOM 598 CE2 TYR A 43 9.801 -8.772 -2.525 1.00 23.25 C ATOM 599 CZ TYR A 43 10.713 -9.052 -3.520 1.00 74.01 C ATOM 600 OH TYR A 43 11.980 -8.511 -3.465 1.00 4.10 O ATOM 0 H TYR A 43 6.882 -12.467 -5.798 1.00 64.14 H new ATOM 0 HA TYR A 43 7.201 -12.675 -2.863 1.00 0.13 H new ATOM 0 HB2 TYR A 43 6.255 -10.379 -4.646 1.00 54.02 H new ATOM 0 HB3 TYR A 43 6.134 -10.347 -2.898 1.00 54.02 H new ATOM 0 HD1 TYR A 43 8.834 -11.046 -5.462 1.00 10.23 H new ATOM 0 HD2 TYR A 43 7.825 -9.098 -1.797 1.00 64.30 H new ATOM 0 HE1 TYR A 43 11.086 -10.091 -5.346 1.00 12.41 H new ATOM 0 HE2 TYR A 43 10.077 -8.128 -1.703 1.00 23.25 H new ATOM 0 HH TYR A 43 12.064 -7.956 -2.662 1.00 4.10 H new ATOM 610 N GLU A 44 4.678 -12.710 -2.270 1.00 44.43 N ATOM 611 CA GLU A 44 3.290 -13.045 -1.871 1.00 4.33 C ATOM 612 C GLU A 44 2.722 -11.927 -0.971 1.00 64.14 C ATOM 613 O GLU A 44 3.421 -11.444 -0.080 1.00 63.40 O ATOM 614 CB GLU A 44 3.259 -14.404 -1.111 1.00 1.41 C ATOM 615 CG GLU A 44 3.756 -15.610 -1.940 1.00 34.31 C ATOM 616 CD GLU A 44 3.599 -16.962 -1.220 1.00 74.32 C ATOM 617 OE1 GLU A 44 2.510 -17.577 -1.311 1.00 34.02 O ATOM 618 OE2 GLU A 44 4.558 -17.416 -0.566 1.00 40.25 O ATOM 0 H GLU A 44 5.271 -12.469 -1.476 1.00 44.43 H new ATOM 0 HA GLU A 44 2.677 -13.132 -2.768 1.00 4.33 H new ATOM 0 HB2 GLU A 44 3.871 -14.319 -0.213 1.00 1.41 H new ATOM 0 HB3 GLU A 44 2.238 -14.600 -0.783 1.00 1.41 H new ATOM 0 HG2 GLU A 44 3.207 -15.644 -2.881 1.00 34.31 H new ATOM 0 HG3 GLU A 44 4.807 -15.461 -2.189 1.00 34.31 H new ATOM 625 N TYR A 45 1.455 -11.533 -1.199 1.00 51.44 N ATOM 626 CA TYR A 45 0.791 -10.463 -0.414 1.00 5.13 C ATOM 627 C TYR A 45 0.427 -10.936 1.024 1.00 3.42 C ATOM 628 O TYR A 45 -0.068 -12.049 1.212 1.00 65.11 O ATOM 629 CB TYR A 45 -0.473 -9.956 -1.156 1.00 61.42 C ATOM 630 CG TYR A 45 -1.175 -8.779 -0.447 1.00 42.33 C ATOM 631 CD1 TYR A 45 -0.643 -7.488 -0.500 1.00 72.43 C ATOM 632 CD2 TYR A 45 -2.338 -8.972 0.306 1.00 33.00 C ATOM 633 CE1 TYR A 45 -1.253 -6.440 0.156 1.00 24.03 C ATOM 634 CE2 TYR A 45 -2.944 -7.927 0.964 1.00 14.35 C ATOM 635 CZ TYR A 45 -2.397 -6.666 0.887 1.00 44.31 C ATOM 636 OH TYR A 45 -2.997 -5.628 1.547 1.00 64.12 O ATOM 0 H TYR A 45 0.864 -11.940 -1.924 1.00 51.44 H new ATOM 0 HA TYR A 45 1.500 -9.641 -0.315 1.00 5.13 H new ATOM 0 HB2 TYR A 45 -0.194 -9.648 -2.163 1.00 61.42 H new ATOM 0 HB3 TYR A 45 -1.179 -10.780 -1.259 1.00 61.42 H new ATOM 0 HD1 TYR A 45 0.260 -7.308 -1.064 1.00 72.43 H new ATOM 0 HD2 TYR A 45 -2.768 -9.960 0.372 1.00 33.00 H new ATOM 0 HE1 TYR A 45 -0.835 -5.446 0.097 1.00 24.03 H new ATOM 0 HE2 TYR A 45 -3.844 -8.095 1.538 1.00 14.35 H new ATOM 0 HH TYR A 45 -3.380 -5.953 2.388 1.00 64.12 H new ATOM 646 N VAL A 46 0.676 -10.062 2.026 1.00 3.35 N ATOM 647 CA VAL A 46 0.371 -10.337 3.452 1.00 64.05 C ATOM 648 C VAL A 46 -0.788 -9.441 3.964 1.00 35.44 C ATOM 649 O VAL A 46 -1.854 -9.949 4.338 1.00 5.52 O ATOM 650 CB VAL A 46 1.648 -10.126 4.353 1.00 3.33 C ATOM 651 CG1 VAL A 46 1.365 -10.411 5.853 1.00 62.24 C ATOM 652 CG2 VAL A 46 2.829 -10.981 3.839 1.00 3.10 C ATOM 0 H VAL A 46 1.094 -9.145 1.870 1.00 3.35 H new ATOM 0 HA VAL A 46 0.059 -11.379 3.521 1.00 64.05 H new ATOM 0 HB VAL A 46 1.924 -9.074 4.278 1.00 3.33 H new ATOM 0 HG11 VAL A 46 2.275 -10.252 6.432 1.00 62.24 H new ATOM 0 HG12 VAL A 46 0.585 -9.738 6.210 1.00 62.24 H new ATOM 0 HG13 VAL A 46 1.036 -11.443 5.971 1.00 62.24 H new ATOM 0 HG21 VAL A 46 3.699 -10.820 4.475 1.00 3.10 H new ATOM 0 HG22 VAL A 46 2.553 -12.035 3.863 1.00 3.10 H new ATOM 0 HG23 VAL A 46 3.069 -10.692 2.816 1.00 3.10 H new ATOM 662 N GLY A 47 -0.577 -8.104 3.959 1.00 43.31 N ATOM 663 CA GLY A 47 -1.562 -7.160 4.537 1.00 4.44 C ATOM 664 C GLY A 47 -1.172 -5.678 4.420 1.00 42.21 C ATOM 665 O GLY A 47 -0.151 -5.340 3.804 1.00 31.33 O ATOM 0 H GLY A 47 0.253 -7.660 3.567 1.00 43.31 H new ATOM 0 HA2 GLY A 47 -2.522 -7.310 4.043 1.00 4.44 H new ATOM 0 HA3 GLY A 47 -1.704 -7.403 5.590 1.00 4.44 H new ATOM 669 N THR A 48 -2.003 -4.792 5.017 1.00 75.40 N ATOM 670 CA THR A 48 -1.809 -3.315 4.989 1.00 63.12 C ATOM 671 C THR A 48 -1.975 -2.697 6.398 1.00 64.10 C ATOM 672 O THR A 48 -2.850 -3.108 7.167 1.00 32.02 O ATOM 673 CB THR A 48 -2.830 -2.622 4.008 1.00 4.22 C ATOM 674 OG1 THR A 48 -2.645 -3.114 2.676 1.00 62.31 O ATOM 675 CG2 THR A 48 -2.708 -1.085 3.983 1.00 62.01 C ATOM 0 H THR A 48 -2.833 -5.079 5.536 1.00 75.40 H new ATOM 0 HA THR A 48 -0.793 -3.140 4.636 1.00 63.12 H new ATOM 0 HB THR A 48 -3.823 -2.870 4.384 1.00 4.22 H new ATOM 0 HG1 THR A 48 -2.868 -4.068 2.646 1.00 62.31 H new ATOM 0 HG21 THR A 48 -3.439 -0.673 3.288 1.00 62.01 H new ATOM 0 HG22 THR A 48 -2.894 -0.689 4.981 1.00 62.01 H new ATOM 0 HG23 THR A 48 -1.705 -0.805 3.662 1.00 62.01 H new ATOM 683 N ASP A 49 -1.131 -1.694 6.717 1.00 54.14 N ATOM 684 CA ASP A 49 -1.273 -0.848 7.923 1.00 31.42 C ATOM 685 C ASP A 49 -1.589 0.610 7.506 1.00 1.34 C ATOM 686 O ASP A 49 -1.147 1.067 6.444 1.00 54.31 O ATOM 687 CB ASP A 49 0.019 -0.894 8.771 1.00 21.24 C ATOM 688 CG ASP A 49 0.258 -2.266 9.416 1.00 24.30 C ATOM 689 OD1 ASP A 49 0.703 -3.202 8.712 1.00 5.32 O ATOM 690 OD2 ASP A 49 0.004 -2.422 10.633 1.00 51.33 O ATOM 0 H ASP A 49 -0.326 -1.446 6.142 1.00 54.14 H new ATOM 0 HA ASP A 49 -2.095 -1.232 8.528 1.00 31.42 H new ATOM 0 HB2 ASP A 49 0.871 -0.641 8.141 1.00 21.24 H new ATOM 0 HB3 ASP A 49 -0.037 -0.135 9.552 1.00 21.24 H new ATOM 695 N GLY A 50 -2.344 1.331 8.356 1.00 42.12 N ATOM 696 CA GLY A 50 -2.757 2.720 8.079 1.00 4.13 C ATOM 697 C GLY A 50 -4.017 2.819 7.204 1.00 2.22 C ATOM 698 O GLY A 50 -5.060 3.305 7.654 1.00 34.21 O ATOM 0 H GLY A 50 -2.683 0.971 9.248 1.00 42.12 H new ATOM 0 HA2 GLY A 50 -2.938 3.233 9.024 1.00 4.13 H new ATOM 0 HA3 GLY A 50 -1.938 3.243 7.585 1.00 4.13 H new ATOM 702 N GLY A 51 -3.911 2.357 5.941 1.00 2.40 N ATOM 703 CA GLY A 51 -5.050 2.335 5.002 1.00 44.33 C ATOM 704 C GLY A 51 -5.995 1.134 5.194 1.00 43.41 C ATOM 705 O GLY A 51 -5.697 0.205 5.953 1.00 42.23 O ATOM 0 H GLY A 51 -3.043 1.993 5.547 1.00 2.40 H new ATOM 0 HA2 GLY A 51 -5.621 3.256 5.118 1.00 44.33 H new ATOM 0 HA3 GLY A 51 -4.667 2.324 3.982 1.00 44.33 H new ATOM 709 N VAL A 52 -7.133 1.151 4.475 1.00 51.13 N ATOM 710 CA VAL A 52 -8.193 0.106 4.572 1.00 10.24 C ATOM 711 C VAL A 52 -8.189 -0.774 3.299 1.00 24.42 C ATOM 712 O VAL A 52 -8.541 -0.301 2.227 1.00 0.34 O ATOM 713 CB VAL A 52 -9.619 0.762 4.761 1.00 11.23 C ATOM 714 CG1 VAL A 52 -10.760 -0.297 4.794 1.00 14.05 C ATOM 715 CG2 VAL A 52 -9.657 1.648 6.030 1.00 20.51 C ATOM 0 H VAL A 52 -7.353 1.889 3.806 1.00 51.13 H new ATOM 0 HA VAL A 52 -7.979 -0.514 5.443 1.00 10.24 H new ATOM 0 HB VAL A 52 -9.794 1.393 3.890 1.00 11.23 H new ATOM 0 HG11 VAL A 52 -11.719 0.205 4.926 1.00 14.05 H new ATOM 0 HG12 VAL A 52 -10.767 -0.853 3.857 1.00 14.05 H new ATOM 0 HG13 VAL A 52 -10.594 -0.985 5.623 1.00 14.05 H new ATOM 0 HG21 VAL A 52 -10.649 2.088 6.137 1.00 20.51 H new ATOM 0 HG22 VAL A 52 -9.433 1.039 6.906 1.00 20.51 H new ATOM 0 HG23 VAL A 52 -8.916 2.442 5.942 1.00 20.51 H new ATOM 725 N VAL A 53 -7.807 -2.058 3.424 1.00 44.14 N ATOM 726 CA VAL A 53 -7.638 -2.964 2.252 1.00 41.53 C ATOM 727 C VAL A 53 -8.757 -4.040 2.177 1.00 54.02 C ATOM 728 O VAL A 53 -9.384 -4.386 3.189 1.00 20.41 O ATOM 729 CB VAL A 53 -6.213 -3.649 2.278 1.00 20.31 C ATOM 730 CG1 VAL A 53 -6.066 -4.644 3.457 1.00 2.13 C ATOM 731 CG2 VAL A 53 -5.868 -4.313 0.917 1.00 30.44 C ATOM 0 H VAL A 53 -7.607 -2.500 4.321 1.00 44.14 H new ATOM 0 HA VAL A 53 -7.719 -2.349 1.356 1.00 41.53 H new ATOM 0 HB VAL A 53 -5.484 -2.855 2.443 1.00 20.31 H new ATOM 0 HG11 VAL A 53 -5.072 -5.090 3.435 1.00 2.13 H new ATOM 0 HG12 VAL A 53 -6.205 -4.114 4.400 1.00 2.13 H new ATOM 0 HG13 VAL A 53 -6.818 -5.428 3.367 1.00 2.13 H new ATOM 0 HG21 VAL A 53 -4.881 -4.772 0.976 1.00 30.44 H new ATOM 0 HG22 VAL A 53 -6.611 -5.077 0.686 1.00 30.44 H new ATOM 0 HG23 VAL A 53 -5.870 -3.556 0.132 1.00 30.44 H new ATOM 741 N SER A 54 -9.007 -4.545 0.955 1.00 72.51 N ATOM 742 CA SER A 54 -9.902 -5.701 0.712 1.00 22.24 C ATOM 743 C SER A 54 -9.136 -7.032 0.913 1.00 50.24 C ATOM 744 O SER A 54 -7.905 -7.076 0.795 1.00 10.51 O ATOM 745 CB SER A 54 -10.483 -5.639 -0.722 1.00 33.00 C ATOM 746 OG SER A 54 -9.450 -5.673 -1.696 1.00 13.20 O ATOM 0 H SER A 54 -8.595 -4.165 0.103 1.00 72.51 H new ATOM 0 HA SER A 54 -10.722 -5.656 1.429 1.00 22.24 H new ATOM 0 HB2 SER A 54 -11.162 -6.477 -0.879 1.00 33.00 H new ATOM 0 HB3 SER A 54 -11.069 -4.728 -0.841 1.00 33.00 H new ATOM 0 HG SER A 54 -9.582 -4.945 -2.339 1.00 13.20 H new ATOM 752 N SER A 55 -9.884 -8.114 1.196 1.00 60.21 N ATOM 753 CA SER A 55 -9.316 -9.477 1.398 1.00 2.02 C ATOM 754 C SER A 55 -8.711 -10.058 0.094 1.00 13.51 C ATOM 755 O SER A 55 -7.883 -10.969 0.141 1.00 51.13 O ATOM 756 CB SER A 55 -10.404 -10.428 1.947 1.00 33.33 C ATOM 757 OG SER A 55 -9.923 -11.759 2.112 1.00 24.44 O ATOM 0 H SER A 55 -10.899 -8.078 1.293 1.00 60.21 H new ATOM 0 HA SER A 55 -8.506 -9.389 2.122 1.00 2.02 H new ATOM 0 HB2 SER A 55 -10.763 -10.052 2.905 1.00 33.33 H new ATOM 0 HB3 SER A 55 -11.256 -10.433 1.267 1.00 33.33 H new ATOM 0 HG SER A 55 -10.642 -12.326 2.462 1.00 24.44 H new ATOM 763 N ASP A 56 -9.176 -9.557 -1.066 1.00 51.13 N ATOM 764 CA ASP A 56 -8.599 -9.901 -2.396 1.00 53.02 C ATOM 765 C ASP A 56 -7.161 -9.338 -2.595 1.00 75.11 C ATOM 766 O ASP A 56 -6.418 -9.826 -3.452 1.00 61.31 O ATOM 767 CB ASP A 56 -9.535 -9.368 -3.508 1.00 34.35 C ATOM 768 CG ASP A 56 -10.988 -9.817 -3.298 1.00 5.10 C ATOM 769 OD1 ASP A 56 -11.726 -9.130 -2.553 1.00 4.54 O ATOM 770 OD2 ASP A 56 -11.389 -10.873 -3.834 1.00 62.41 O ATOM 0 H ASP A 56 -9.958 -8.905 -1.117 1.00 51.13 H new ATOM 0 HA ASP A 56 -8.520 -10.987 -2.450 1.00 53.02 H new ATOM 0 HB2 ASP A 56 -9.491 -8.279 -3.528 1.00 34.35 H new ATOM 0 HB3 ASP A 56 -9.183 -9.719 -4.478 1.00 34.35 H new ATOM 775 N GLY A 57 -6.797 -8.303 -1.803 1.00 12.34 N ATOM 776 CA GLY A 57 -5.427 -7.743 -1.789 1.00 23.22 C ATOM 777 C GLY A 57 -4.995 -7.013 -3.071 1.00 14.12 C ATOM 778 O GLY A 57 -3.797 -6.806 -3.293 1.00 11.22 O ATOM 0 H GLY A 57 -7.439 -7.837 -1.162 1.00 12.34 H new ATOM 0 HA2 GLY A 57 -5.346 -7.049 -0.952 1.00 23.22 H new ATOM 0 HA3 GLY A 57 -4.724 -8.554 -1.600 1.00 23.22 H new ATOM 782 N LYS A 58 -5.971 -6.633 -3.918 1.00 34.55 N ATOM 783 CA LYS A 58 -5.723 -5.868 -5.166 1.00 23.12 C ATOM 784 C LYS A 58 -6.078 -4.376 -4.989 1.00 12.41 C ATOM 785 O LYS A 58 -5.411 -3.508 -5.551 1.00 21.43 O ATOM 786 CB LYS A 58 -6.537 -6.479 -6.349 1.00 5.50 C ATOM 787 CG LYS A 58 -6.018 -7.845 -6.896 1.00 50.35 C ATOM 788 CD LYS A 58 -4.948 -7.709 -8.027 1.00 41.13 C ATOM 789 CE LYS A 58 -3.555 -7.238 -7.554 1.00 74.33 C ATOM 790 NZ LYS A 58 -2.870 -8.253 -6.715 1.00 72.52 N ATOM 0 H LYS A 58 -6.956 -6.846 -3.760 1.00 34.55 H new ATOM 0 HA LYS A 58 -4.659 -5.937 -5.394 1.00 23.12 H new ATOM 0 HB2 LYS A 58 -7.570 -6.607 -6.026 1.00 5.50 H new ATOM 0 HB3 LYS A 58 -6.546 -5.761 -7.169 1.00 5.50 H new ATOM 0 HG2 LYS A 58 -5.591 -8.416 -6.072 1.00 50.35 H new ATOM 0 HG3 LYS A 58 -6.864 -8.418 -7.276 1.00 50.35 H new ATOM 0 HD2 LYS A 58 -4.840 -8.674 -8.522 1.00 41.13 H new ATOM 0 HD3 LYS A 58 -5.318 -7.007 -8.774 1.00 41.13 H new ATOM 0 HE2 LYS A 58 -2.937 -7.011 -8.423 1.00 74.33 H new ATOM 0 HE3 LYS A 58 -3.660 -6.313 -6.987 1.00 74.33 H new ATOM 0 HZ1 LYS A 58 -1.940 -7.891 -6.422 1.00 72.52 H new ATOM 0 HZ2 LYS A 58 -3.445 -8.452 -5.872 1.00 72.52 H new ATOM 0 HZ3 LYS A 58 -2.744 -9.128 -7.262 1.00 72.52 H new ATOM 804 N THR A 59 -7.149 -4.089 -4.222 1.00 24.04 N ATOM 805 CA THR A 59 -7.606 -2.701 -3.947 1.00 35.11 C ATOM 806 C THR A 59 -7.443 -2.349 -2.452 1.00 63.44 C ATOM 807 O THR A 59 -7.918 -3.084 -1.577 1.00 62.11 O ATOM 808 CB THR A 59 -9.106 -2.478 -4.358 1.00 20.41 C ATOM 809 OG1 THR A 59 -9.971 -3.370 -3.623 1.00 64.21 O ATOM 810 CG2 THR A 59 -9.327 -2.686 -5.868 1.00 74.45 C ATOM 0 H THR A 59 -7.722 -4.805 -3.775 1.00 24.04 H new ATOM 0 HA THR A 59 -6.978 -2.047 -4.552 1.00 35.11 H new ATOM 0 HB THR A 59 -9.351 -1.444 -4.116 1.00 20.41 H new ATOM 0 HG1 THR A 59 -10.901 -3.217 -3.890 1.00 64.21 H new ATOM 0 HG21 THR A 59 -10.378 -2.522 -6.108 1.00 74.45 H new ATOM 0 HG22 THR A 59 -8.713 -1.980 -6.426 1.00 74.45 H new ATOM 0 HG23 THR A 59 -9.047 -3.704 -6.140 1.00 74.45 H new ATOM 818 N VAL A 60 -6.751 -1.234 -2.170 1.00 35.34 N ATOM 819 CA VAL A 60 -6.693 -0.628 -0.823 1.00 25.12 C ATOM 820 C VAL A 60 -7.280 0.805 -0.870 1.00 12.25 C ATOM 821 O VAL A 60 -6.758 1.687 -1.563 1.00 65.40 O ATOM 822 CB VAL A 60 -5.226 -0.643 -0.224 1.00 22.12 C ATOM 823 CG1 VAL A 60 -4.197 0.024 -1.161 1.00 23.42 C ATOM 824 CG2 VAL A 60 -5.190 -0.008 1.188 1.00 74.34 C ATOM 0 H VAL A 60 -6.213 -0.723 -2.870 1.00 35.34 H new ATOM 0 HA VAL A 60 -7.300 -1.232 -0.149 1.00 25.12 H new ATOM 0 HB VAL A 60 -4.936 -1.690 -0.134 1.00 22.12 H new ATOM 0 HG11 VAL A 60 -3.209 -0.014 -0.702 1.00 23.42 H new ATOM 0 HG12 VAL A 60 -4.175 -0.506 -2.113 1.00 23.42 H new ATOM 0 HG13 VAL A 60 -4.479 1.063 -1.330 1.00 23.42 H new ATOM 0 HG21 VAL A 60 -4.170 -0.033 1.572 1.00 74.34 H new ATOM 0 HG22 VAL A 60 -5.531 1.026 1.131 1.00 74.34 H new ATOM 0 HG23 VAL A 60 -5.843 -0.569 1.856 1.00 74.34 H new ATOM 834 N THR A 61 -8.400 1.009 -0.162 1.00 22.40 N ATOM 835 CA THR A 61 -9.071 2.312 -0.071 1.00 33.33 C ATOM 836 C THR A 61 -8.255 3.302 0.798 1.00 2.42 C ATOM 837 O THR A 61 -8.036 3.063 1.991 1.00 73.15 O ATOM 838 CB THR A 61 -10.515 2.173 0.514 1.00 63.03 C ATOM 839 OG1 THR A 61 -11.265 1.204 -0.242 1.00 42.44 O ATOM 840 CG2 THR A 61 -11.277 3.516 0.508 1.00 34.30 C ATOM 0 H THR A 61 -8.867 0.271 0.365 1.00 22.40 H new ATOM 0 HA THR A 61 -9.141 2.704 -1.086 1.00 33.33 H new ATOM 0 HB THR A 61 -10.410 1.846 1.548 1.00 63.03 H new ATOM 0 HG1 THR A 61 -12.167 1.123 0.133 1.00 42.44 H new ATOM 0 HG21 THR A 61 -12.274 3.370 0.923 1.00 34.30 H new ATOM 0 HG22 THR A 61 -10.736 4.244 1.112 1.00 34.30 H new ATOM 0 HG23 THR A 61 -11.360 3.883 -0.515 1.00 34.30 H new ATOM 848 N ILE A 62 -7.798 4.391 0.166 1.00 43.25 N ATOM 849 CA ILE A 62 -7.090 5.506 0.821 1.00 54.12 C ATOM 850 C ILE A 62 -8.038 6.720 0.928 1.00 72.41 C ATOM 851 O ILE A 62 -8.534 7.199 -0.093 1.00 61.31 O ATOM 852 CB ILE A 62 -5.824 5.935 -0.015 1.00 23.44 C ATOM 853 CG1 ILE A 62 -5.042 4.682 -0.516 1.00 34.12 C ATOM 854 CG2 ILE A 62 -4.917 6.882 0.810 1.00 41.33 C ATOM 855 CD1 ILE A 62 -3.844 4.989 -1.394 1.00 43.24 C ATOM 0 H ILE A 62 -7.911 4.527 -0.838 1.00 43.25 H new ATOM 0 HA ILE A 62 -6.772 5.176 1.810 1.00 54.12 H new ATOM 0 HB ILE A 62 -6.160 6.485 -0.894 1.00 23.44 H new ATOM 0 HG12 ILE A 62 -4.704 4.112 0.349 1.00 34.12 H new ATOM 0 HG13 ILE A 62 -5.727 4.042 -1.071 1.00 34.12 H new ATOM 0 HG21 ILE A 62 -4.050 7.166 0.214 1.00 41.33 H new ATOM 0 HG22 ILE A 62 -5.477 7.776 1.083 1.00 41.33 H new ATOM 0 HG23 ILE A 62 -4.585 6.372 1.714 1.00 41.33 H new ATOM 0 HD11 ILE A 62 -3.364 4.057 -1.693 1.00 43.24 H new ATOM 0 HD12 ILE A 62 -4.172 5.530 -2.282 1.00 43.24 H new ATOM 0 HD13 ILE A 62 -3.133 5.601 -0.839 1.00 43.24 H new ATOM 867 N THR A 63 -8.291 7.220 2.145 1.00 61.35 N ATOM 868 CA THR A 63 -9.163 8.405 2.349 1.00 31.10 C ATOM 869 C THR A 63 -8.343 9.534 2.986 1.00 1.10 C ATOM 870 O THR A 63 -8.036 9.479 4.175 1.00 75.43 O ATOM 871 CB THR A 63 -10.415 8.084 3.235 1.00 20.22 C ATOM 872 OG1 THR A 63 -10.994 6.834 2.815 1.00 41.33 O ATOM 873 CG2 THR A 63 -11.483 9.198 3.128 1.00 74.33 C ATOM 0 H THR A 63 -7.909 6.830 3.007 1.00 61.35 H new ATOM 0 HA THR A 63 -9.537 8.714 1.373 1.00 31.10 H new ATOM 0 HB THR A 63 -10.086 8.020 4.272 1.00 20.22 H new ATOM 0 HG1 THR A 63 -11.776 6.633 3.370 1.00 41.33 H new ATOM 0 HG21 THR A 63 -12.338 8.944 3.755 1.00 74.33 H new ATOM 0 HG22 THR A 63 -11.057 10.144 3.462 1.00 74.33 H new ATOM 0 HG23 THR A 63 -11.808 9.292 2.092 1.00 74.33 H new ATOM 881 N PHE A 64 -8.024 10.555 2.177 1.00 24.11 N ATOM 882 CA PHE A 64 -7.051 11.625 2.521 1.00 60.23 C ATOM 883 C PHE A 64 -7.395 12.340 3.854 1.00 1.43 C ATOM 884 O PHE A 64 -8.562 12.627 4.122 1.00 62.11 O ATOM 885 CB PHE A 64 -6.980 12.650 1.355 1.00 32.13 C ATOM 886 CG PHE A 64 -6.753 11.991 -0.008 1.00 35.43 C ATOM 887 CD1 PHE A 64 -5.493 11.519 -0.371 1.00 13.31 C ATOM 888 CD2 PHE A 64 -7.809 11.815 -0.913 1.00 15.11 C ATOM 889 CE1 PHE A 64 -5.298 10.891 -1.581 1.00 44.52 C ATOM 890 CE2 PHE A 64 -7.609 11.180 -2.120 1.00 21.22 C ATOM 891 CZ PHE A 64 -6.353 10.725 -2.459 1.00 74.31 C ATOM 0 H PHE A 64 -8.435 10.670 1.251 1.00 24.11 H new ATOM 0 HA PHE A 64 -6.078 11.156 2.664 1.00 60.23 H new ATOM 0 HB2 PHE A 64 -7.907 13.223 1.325 1.00 32.13 H new ATOM 0 HB3 PHE A 64 -6.174 13.357 1.549 1.00 32.13 H new ATOM 0 HD1 PHE A 64 -4.660 11.647 0.304 1.00 13.31 H new ATOM 0 HD2 PHE A 64 -8.793 12.182 -0.661 1.00 15.11 H new ATOM 0 HE1 PHE A 64 -4.316 10.526 -1.845 1.00 44.52 H new ATOM 0 HE2 PHE A 64 -8.436 11.039 -2.800 1.00 21.22 H new ATOM 0 HZ PHE A 64 -6.193 10.239 -3.410 1.00 74.31 H new ATOM 901 N ALA A 65 -6.383 12.576 4.708 1.00 23.22 N ATOM 902 CA ALA A 65 -6.573 13.285 6.000 1.00 0.21 C ATOM 903 C ALA A 65 -5.342 14.134 6.368 1.00 40.35 C ATOM 904 O ALA A 65 -4.207 13.662 6.263 1.00 62.14 O ATOM 905 CB ALA A 65 -6.880 12.272 7.121 1.00 13.25 C ATOM 0 H ALA A 65 -5.421 12.288 4.532 1.00 23.22 H new ATOM 0 HA ALA A 65 -7.419 13.963 5.888 1.00 0.21 H new ATOM 0 HB1 ALA A 65 -7.017 12.803 8.063 1.00 13.25 H new ATOM 0 HB2 ALA A 65 -7.790 11.724 6.877 1.00 13.25 H new ATOM 0 HB3 ALA A 65 -6.050 11.572 7.216 1.00 13.25 H new ATOM 911 N ALA A 66 -5.589 15.381 6.839 1.00 73.43 N ATOM 912 CA ALA A 66 -4.526 16.294 7.343 1.00 35.32 C ATOM 913 C ALA A 66 -3.912 15.808 8.687 1.00 21.52 C ATOM 914 O ALA A 66 -2.904 16.358 9.151 1.00 45.23 O ATOM 915 CB ALA A 66 -5.079 17.724 7.485 1.00 62.52 C ATOM 0 H ALA A 66 -6.525 15.783 6.881 1.00 73.43 H new ATOM 0 HA ALA A 66 -3.720 16.290 6.609 1.00 35.32 H new ATOM 0 HB1 ALA A 66 -4.293 18.383 7.854 1.00 62.52 H new ATOM 0 HB2 ALA A 66 -5.424 18.079 6.514 1.00 62.52 H new ATOM 0 HB3 ALA A 66 -5.912 17.724 8.188 1.00 62.52 H new ATOM 921 N ASP A 67 -4.546 14.789 9.309 1.00 74.02 N ATOM 922 CA ASP A 67 -4.025 14.107 10.508 1.00 31.15 C ATOM 923 C ASP A 67 -2.808 13.205 10.165 1.00 45.54 C ATOM 924 O ASP A 67 -1.930 13.007 11.016 1.00 45.44 O ATOM 925 CB ASP A 67 -5.161 13.270 11.154 1.00 75.15 C ATOM 926 CG ASP A 67 -4.715 12.501 12.409 1.00 42.40 C ATOM 927 OD1 ASP A 67 -4.505 13.133 13.462 1.00 53.00 O ATOM 928 OD2 ASP A 67 -4.574 11.266 12.347 1.00 75.44 O ATOM 0 H ASP A 67 -5.440 14.416 8.988 1.00 74.02 H new ATOM 0 HA ASP A 67 -3.679 14.860 11.216 1.00 31.15 H new ATOM 0 HB2 ASP A 67 -5.986 13.932 11.417 1.00 75.15 H new ATOM 0 HB3 ASP A 67 -5.543 12.561 10.419 1.00 75.15 H new ATOM 933 N ASP A 68 -2.779 12.683 8.911 1.00 24.32 N ATOM 934 CA ASP A 68 -1.752 11.732 8.421 1.00 43.14 C ATOM 935 C ASP A 68 -1.832 10.372 9.184 1.00 42.54 C ATOM 936 O ASP A 68 -1.049 10.097 10.108 1.00 32.50 O ATOM 937 CB ASP A 68 -0.335 12.380 8.477 1.00 42.23 C ATOM 938 CG ASP A 68 0.760 11.556 7.788 1.00 32.42 C ATOM 939 OD1 ASP A 68 0.812 11.549 6.547 1.00 4.24 O ATOM 940 OD2 ASP A 68 1.600 10.948 8.485 1.00 42.11 O ATOM 0 H ASP A 68 -3.478 12.915 8.205 1.00 24.32 H new ATOM 0 HA ASP A 68 -1.954 11.504 7.374 1.00 43.14 H new ATOM 0 HB2 ASP A 68 -0.379 13.365 8.013 1.00 42.23 H new ATOM 0 HB3 ASP A 68 -0.058 12.532 9.520 1.00 42.23 H new ATOM 945 N SER A 69 -2.843 9.556 8.819 1.00 15.13 N ATOM 946 CA SER A 69 -3.110 8.224 9.449 1.00 51.11 C ATOM 947 C SER A 69 -3.809 7.262 8.452 1.00 43.44 C ATOM 948 O SER A 69 -4.215 6.149 8.805 1.00 12.30 O ATOM 949 CB SER A 69 -3.989 8.417 10.713 1.00 3.10 C ATOM 950 OG SER A 69 -4.179 7.206 11.439 1.00 43.04 O ATOM 0 H SER A 69 -3.504 9.793 8.079 1.00 15.13 H new ATOM 0 HA SER A 69 -2.157 7.776 9.731 1.00 51.11 H new ATOM 0 HB2 SER A 69 -3.525 9.157 11.364 1.00 3.10 H new ATOM 0 HB3 SER A 69 -4.960 8.816 10.418 1.00 3.10 H new ATOM 0 HG SER A 69 -4.191 6.450 10.816 1.00 43.04 H new ATOM 956 N ASP A 70 -3.902 7.705 7.196 1.00 52.14 N ATOM 957 CA ASP A 70 -4.586 6.993 6.092 1.00 4.32 C ATOM 958 C ASP A 70 -3.560 6.399 5.091 1.00 13.45 C ATOM 959 O ASP A 70 -3.931 5.770 4.092 1.00 33.41 O ATOM 960 CB ASP A 70 -5.547 7.986 5.400 1.00 44.41 C ATOM 961 CG ASP A 70 -4.856 9.298 4.950 1.00 24.51 C ATOM 962 OD1 ASP A 70 -4.513 10.137 5.826 1.00 44.41 O ATOM 963 OD2 ASP A 70 -4.666 9.499 3.736 1.00 43.51 O ATOM 0 H ASP A 70 -3.495 8.593 6.901 1.00 52.14 H new ATOM 0 HA ASP A 70 -5.156 6.152 6.487 1.00 4.32 H new ATOM 0 HB2 ASP A 70 -5.993 7.503 4.531 1.00 44.41 H new ATOM 0 HB3 ASP A 70 -6.361 8.228 6.083 1.00 44.41 H new ATOM 968 N ASN A 71 -2.267 6.609 5.406 1.00 72.44 N ATOM 969 CA ASN A 71 -1.118 6.181 4.588 1.00 44.31 C ATOM 970 C ASN A 71 -1.015 4.638 4.540 1.00 32.12 C ATOM 971 O ASN A 71 -1.154 3.969 5.565 1.00 24.02 O ATOM 972 CB ASN A 71 0.191 6.782 5.174 1.00 44.02 C ATOM 973 CG ASN A 71 0.153 8.308 5.355 1.00 52.22 C ATOM 974 OD1 ASN A 71 -0.886 8.905 5.617 1.00 62.40 O ATOM 975 ND2 ASN A 71 1.296 8.948 5.226 1.00 20.14 N ATOM 0 H ASN A 71 -1.987 7.094 6.259 1.00 72.44 H new ATOM 0 HA ASN A 71 -1.264 6.543 3.570 1.00 44.31 H new ATOM 0 HB2 ASN A 71 0.392 6.317 6.139 1.00 44.02 H new ATOM 0 HB3 ASN A 71 1.022 6.525 4.517 1.00 44.02 H new ATOM 0 HD21 ASN A 71 1.330 9.961 5.344 1.00 20.14 H new ATOM 0 HD22 ASN A 71 2.148 8.431 5.008 1.00 20.14 H new ATOM 982 N VAL A 72 -0.735 4.091 3.355 1.00 11.23 N ATOM 983 CA VAL A 72 -0.780 2.633 3.096 1.00 72.25 C ATOM 984 C VAL A 72 0.621 1.987 3.207 1.00 10.11 C ATOM 985 O VAL A 72 1.551 2.395 2.517 1.00 63.15 O ATOM 986 CB VAL A 72 -1.394 2.380 1.671 1.00 33.33 C ATOM 987 CG1 VAL A 72 -1.298 0.899 1.231 1.00 72.11 C ATOM 988 CG2 VAL A 72 -2.857 2.873 1.634 1.00 42.44 C ATOM 0 H VAL A 72 -0.469 4.641 2.539 1.00 11.23 H new ATOM 0 HA VAL A 72 -1.408 2.166 3.855 1.00 72.25 H new ATOM 0 HB VAL A 72 -0.802 2.950 0.955 1.00 33.33 H new ATOM 0 HG11 VAL A 72 -1.738 0.785 0.240 1.00 72.11 H new ATOM 0 HG12 VAL A 72 -0.252 0.595 1.201 1.00 72.11 H new ATOM 0 HG13 VAL A 72 -1.837 0.273 1.942 1.00 72.11 H new ATOM 0 HG21 VAL A 72 -3.276 2.695 0.644 1.00 42.44 H new ATOM 0 HG22 VAL A 72 -3.442 2.333 2.378 1.00 42.44 H new ATOM 0 HG23 VAL A 72 -2.887 3.940 1.854 1.00 42.44 H new ATOM 998 N VAL A 73 0.759 0.976 4.087 1.00 73.11 N ATOM 999 CA VAL A 73 1.999 0.177 4.215 1.00 43.33 C ATOM 1000 C VAL A 73 1.716 -1.283 3.780 1.00 33.34 C ATOM 1001 O VAL A 73 1.095 -2.044 4.525 1.00 63.52 O ATOM 1002 CB VAL A 73 2.565 0.205 5.690 1.00 44.21 C ATOM 1003 CG1 VAL A 73 3.916 -0.554 5.793 1.00 25.43 C ATOM 1004 CG2 VAL A 73 2.698 1.660 6.216 1.00 65.34 C ATOM 0 H VAL A 73 0.019 0.689 4.728 1.00 73.11 H new ATOM 0 HA VAL A 73 2.757 0.618 3.567 1.00 43.33 H new ATOM 0 HB VAL A 73 1.847 -0.313 6.326 1.00 44.21 H new ATOM 0 HG11 VAL A 73 4.278 -0.515 6.821 1.00 25.43 H new ATOM 0 HG12 VAL A 73 3.773 -1.593 5.497 1.00 25.43 H new ATOM 0 HG13 VAL A 73 4.647 -0.087 5.133 1.00 25.43 H new ATOM 0 HG21 VAL A 73 3.090 1.645 7.233 1.00 65.34 H new ATOM 0 HG22 VAL A 73 3.378 2.218 5.573 1.00 65.34 H new ATOM 0 HG23 VAL A 73 1.719 2.139 6.212 1.00 65.34 H new ATOM 1014 N ILE A 74 2.182 -1.659 2.574 1.00 73.55 N ATOM 1015 CA ILE A 74 1.987 -3.015 2.009 1.00 54.31 C ATOM 1016 C ILE A 74 3.097 -3.959 2.516 1.00 71.05 C ATOM 1017 O ILE A 74 4.262 -3.587 2.538 1.00 63.53 O ATOM 1018 CB ILE A 74 2.006 -2.983 0.432 1.00 71.01 C ATOM 1019 CG1 ILE A 74 0.860 -2.073 -0.124 1.00 22.32 C ATOM 1020 CG2 ILE A 74 1.924 -4.414 -0.175 1.00 10.53 C ATOM 1021 CD1 ILE A 74 -0.551 -2.526 0.236 1.00 41.43 C ATOM 0 H ILE A 74 2.705 -1.034 1.961 1.00 73.55 H new ATOM 0 HA ILE A 74 1.013 -3.380 2.336 1.00 54.31 H new ATOM 0 HB ILE A 74 2.960 -2.554 0.127 1.00 71.01 H new ATOM 0 HG12 ILE A 74 1.007 -1.060 0.249 1.00 22.32 H new ATOM 0 HG13 ILE A 74 0.946 -2.028 -1.210 1.00 22.32 H new ATOM 0 HG21 ILE A 74 1.940 -4.349 -1.263 1.00 10.53 H new ATOM 0 HG22 ILE A 74 2.775 -5.003 0.166 1.00 10.53 H new ATOM 0 HG23 ILE A 74 0.999 -4.893 0.147 1.00 10.53 H new ATOM 0 HD11 ILE A 74 -1.276 -1.834 -0.193 1.00 41.43 H new ATOM 0 HD12 ILE A 74 -0.725 -3.526 -0.162 1.00 41.43 H new ATOM 0 HD13 ILE A 74 -0.662 -2.542 1.320 1.00 41.43 H new ATOM 1033 N HIS A 75 2.715 -5.183 2.918 1.00 54.11 N ATOM 1034 CA HIS A 75 3.657 -6.209 3.425 1.00 52.31 C ATOM 1035 C HIS A 75 3.701 -7.417 2.469 1.00 42.34 C ATOM 1036 O HIS A 75 2.652 -7.897 2.031 1.00 10.11 O ATOM 1037 CB HIS A 75 3.243 -6.652 4.848 1.00 75.13 C ATOM 1038 CG HIS A 75 3.289 -5.523 5.851 1.00 31.40 C ATOM 1039 ND1 HIS A 75 4.364 -5.301 6.686 1.00 60.12 N ATOM 1040 CD2 HIS A 75 2.412 -4.520 6.114 1.00 60.21 C ATOM 1041 CE1 HIS A 75 4.144 -4.223 7.408 1.00 62.14 C ATOM 1042 NE2 HIS A 75 2.974 -3.730 7.078 1.00 72.41 N ATOM 0 H HIS A 75 1.744 -5.494 2.903 1.00 54.11 H new ATOM 0 HA HIS A 75 4.657 -5.777 3.473 1.00 52.31 H new ATOM 0 HB2 HIS A 75 2.234 -7.062 4.816 1.00 75.13 H new ATOM 0 HB3 HIS A 75 3.903 -7.454 5.180 1.00 75.13 H new ATOM 0 HD2 HIS A 75 1.449 -4.374 5.648 1.00 60.21 H new ATOM 0 HE1 HIS A 75 4.815 -3.813 8.148 1.00 62.14 H new ATOM 0 HE2 HIS A 75 2.551 -2.892 7.477 1.00 72.41 H new ATOM 1051 N LEU A 76 4.924 -7.885 2.143 1.00 45.25 N ATOM 1052 CA LEU A 76 5.168 -9.002 1.191 1.00 61.11 C ATOM 1053 C LEU A 76 6.156 -10.029 1.790 1.00 64.03 C ATOM 1054 O LEU A 76 6.928 -9.698 2.671 1.00 72.24 O ATOM 1055 CB LEU A 76 5.750 -8.444 -0.143 1.00 61.02 C ATOM 1056 CG LEU A 76 4.873 -7.382 -0.884 1.00 12.22 C ATOM 1057 CD1 LEU A 76 5.584 -6.823 -2.132 1.00 14.52 C ATOM 1058 CD2 LEU A 76 3.484 -7.957 -1.238 1.00 25.53 C ATOM 0 H LEU A 76 5.782 -7.497 2.535 1.00 45.25 H new ATOM 0 HA LEU A 76 4.218 -9.500 0.999 1.00 61.11 H new ATOM 0 HB2 LEU A 76 6.723 -8.000 0.066 1.00 61.02 H new ATOM 0 HB3 LEU A 76 5.920 -9.281 -0.820 1.00 61.02 H new ATOM 0 HG LEU A 76 4.724 -6.547 -0.199 1.00 12.22 H new ATOM 0 HD11 LEU A 76 4.942 -6.089 -2.618 1.00 14.52 H new ATOM 0 HD12 LEU A 76 6.519 -6.348 -1.836 1.00 14.52 H new ATOM 0 HD13 LEU A 76 5.795 -7.637 -2.826 1.00 14.52 H new ATOM 0 HD21 LEU A 76 2.896 -7.197 -1.752 1.00 25.53 H new ATOM 0 HD22 LEU A 76 3.604 -8.824 -1.888 1.00 25.53 H new ATOM 0 HD23 LEU A 76 2.971 -8.256 -0.324 1.00 25.53 H new ATOM 1070 N LYS A 77 6.111 -11.289 1.320 1.00 71.05 N ATOM 1071 CA LYS A 77 7.121 -12.330 1.680 1.00 51.12 C ATOM 1072 C LYS A 77 7.561 -13.098 0.423 1.00 30.15 C ATOM 1073 O LYS A 77 6.963 -12.952 -0.628 1.00 24.53 O ATOM 1074 CB LYS A 77 6.570 -13.332 2.734 1.00 61.14 C ATOM 1075 CG LYS A 77 6.045 -12.682 4.031 1.00 74.04 C ATOM 1076 CD LYS A 77 5.758 -13.695 5.163 1.00 24.00 C ATOM 1077 CE LYS A 77 7.035 -14.384 5.675 1.00 5.24 C ATOM 1078 NZ LYS A 77 6.758 -15.300 6.809 1.00 1.01 N ATOM 0 H LYS A 77 5.386 -11.623 0.686 1.00 71.05 H new ATOM 0 HA LYS A 77 7.976 -11.816 2.118 1.00 51.12 H new ATOM 0 HB2 LYS A 77 5.763 -13.908 2.280 1.00 61.14 H new ATOM 0 HB3 LYS A 77 7.360 -14.038 2.992 1.00 61.14 H new ATOM 0 HG2 LYS A 77 6.776 -11.954 4.384 1.00 74.04 H new ATOM 0 HG3 LYS A 77 5.131 -12.133 3.807 1.00 74.04 H new ATOM 0 HD2 LYS A 77 5.270 -13.181 5.991 1.00 24.00 H new ATOM 0 HD3 LYS A 77 5.061 -14.451 4.801 1.00 24.00 H new ATOM 0 HE2 LYS A 77 7.496 -14.944 4.861 1.00 5.24 H new ATOM 0 HE3 LYS A 77 7.754 -13.627 5.988 1.00 5.24 H new ATOM 0 HZ1 LYS A 77 7.645 -15.743 7.122 1.00 1.01 H new ATOM 0 HZ2 LYS A 77 6.342 -14.762 7.596 1.00 1.01 H new ATOM 0 HZ3 LYS A 77 6.092 -16.038 6.504 1.00 1.01 H new ATOM 1092 N HIS A 78 8.609 -13.923 0.539 1.00 31.02 N ATOM 1093 CA HIS A 78 9.100 -14.741 -0.593 1.00 22.45 C ATOM 1094 C HIS A 78 8.529 -16.172 -0.533 1.00 44.32 C ATOM 1095 O HIS A 78 8.507 -16.795 0.535 1.00 3.15 O ATOM 1096 CB HIS A 78 10.646 -14.774 -0.602 1.00 3.23 C ATOM 1097 CG HIS A 78 11.275 -13.416 -0.738 1.00 23.24 C ATOM 1098 ND1 HIS A 78 12.423 -13.064 -0.085 1.00 44.53 N ATOM 1099 CD2 HIS A 78 10.932 -12.340 -1.486 1.00 72.13 C ATOM 1100 CE1 HIS A 78 12.757 -11.843 -0.410 1.00 3.12 C ATOM 1101 NE2 HIS A 78 11.873 -11.371 -1.258 1.00 25.34 N ATOM 0 H HIS A 78 9.138 -14.046 1.402 1.00 31.02 H new ATOM 0 HA HIS A 78 8.755 -14.281 -1.519 1.00 22.45 H new ATOM 0 HB2 HIS A 78 10.997 -15.237 0.320 1.00 3.23 H new ATOM 0 HB3 HIS A 78 10.983 -15.405 -1.424 1.00 3.23 H new ATOM 0 HD1 HIS A 78 12.940 -13.663 0.558 1.00 44.53 H new ATOM 0 HD2 HIS A 78 10.076 -12.261 -2.140 1.00 72.13 H new ATOM 0 HE1 HIS A 78 13.620 -11.309 -0.041 1.00 3.12 H new ATOM 1110 N GLY A 79 8.073 -16.683 -1.692 1.00 53.52 N ATOM 1111 CA GLY A 79 7.621 -18.077 -1.803 1.00 32.53 C ATOM 1112 C GLY A 79 8.805 -19.039 -1.828 1.00 3.22 C ATOM 1113 O GLY A 79 8.881 -19.993 -1.042 1.00 13.11 O ATOM 0 H GLY A 79 8.009 -16.151 -2.560 1.00 53.52 H new ATOM 0 HA2 GLY A 79 6.970 -18.319 -0.963 1.00 32.53 H new ATOM 0 HA3 GLY A 79 7.030 -18.200 -2.711 1.00 32.53 H new ATOM 1117 N LEU A 80 9.730 -18.766 -2.754 1.00 40.40 N ATOM 1118 CA LEU A 80 11.059 -19.407 -2.807 1.00 22.31 C ATOM 1119 C LEU A 80 12.160 -18.371 -2.475 1.00 60.25 C ATOM 1120 O LEU A 80 12.001 -17.174 -2.751 1.00 30.33 O ATOM 1121 CB LEU A 80 11.331 -20.057 -4.201 1.00 51.53 C ATOM 1122 CG LEU A 80 11.487 -19.093 -5.447 1.00 41.02 C ATOM 1123 CD1 LEU A 80 12.091 -19.841 -6.658 1.00 70.41 C ATOM 1124 CD2 LEU A 80 10.146 -18.423 -5.853 1.00 62.11 C ATOM 0 H LEU A 80 9.580 -18.086 -3.499 1.00 40.40 H new ATOM 0 HA LEU A 80 11.076 -20.203 -2.063 1.00 22.31 H new ATOM 0 HB2 LEU A 80 12.241 -20.652 -4.121 1.00 51.53 H new ATOM 0 HB3 LEU A 80 10.516 -20.749 -4.413 1.00 51.53 H new ATOM 0 HG LEU A 80 12.171 -18.302 -5.139 1.00 41.02 H new ATOM 0 HD11 LEU A 80 12.187 -19.154 -7.499 1.00 70.41 H new ATOM 0 HD12 LEU A 80 13.074 -20.229 -6.393 1.00 70.41 H new ATOM 0 HD13 LEU A 80 11.438 -20.668 -6.937 1.00 70.41 H new ATOM 0 HD21 LEU A 80 10.310 -17.773 -6.712 1.00 62.11 H new ATOM 0 HD22 LEU A 80 9.419 -19.192 -6.114 1.00 62.11 H new ATOM 0 HD23 LEU A 80 9.767 -17.833 -5.019 1.00 62.11 H new ATOM 1136 N GLU A 81 13.273 -18.841 -1.887 1.00 34.45 N ATOM 1137 CA GLU A 81 14.446 -17.990 -1.558 1.00 30.11 C ATOM 1138 C GLU A 81 15.597 -18.210 -2.576 1.00 5.30 C ATOM 1139 O GLU A 81 15.498 -19.042 -3.486 1.00 74.11 O ATOM 1140 CB GLU A 81 14.931 -18.258 -0.083 1.00 12.03 C ATOM 1141 CG GLU A 81 14.667 -17.102 0.912 1.00 63.04 C ATOM 1142 CD GLU A 81 15.356 -15.781 0.507 1.00 1.34 C ATOM 1143 OE1 GLU A 81 16.575 -15.786 0.239 1.00 21.31 O ATOM 1144 OE2 GLU A 81 14.685 -14.736 0.441 1.00 10.24 O ATOM 0 H GLU A 81 13.392 -19.819 -1.624 1.00 34.45 H new ATOM 0 HA GLU A 81 14.139 -16.946 -1.628 1.00 30.11 H new ATOM 0 HB2 GLU A 81 14.438 -19.157 0.288 1.00 12.03 H new ATOM 0 HB3 GLU A 81 16.001 -18.465 -0.100 1.00 12.03 H new ATOM 0 HG2 GLU A 81 13.593 -16.935 0.988 1.00 63.04 H new ATOM 0 HG3 GLU A 81 15.015 -17.397 1.902 1.00 63.04 H new ATOM 1151 N HIS A 82 16.697 -17.456 -2.395 1.00 15.53 N ATOM 1152 CA HIS A 82 17.912 -17.546 -3.249 1.00 73.33 C ATOM 1153 C HIS A 82 18.945 -18.542 -2.650 1.00 2.21 C ATOM 1154 O HIS A 82 20.126 -18.526 -3.013 1.00 52.10 O ATOM 1155 CB HIS A 82 18.535 -16.133 -3.404 1.00 52.34 C ATOM 1156 CG HIS A 82 17.590 -15.115 -3.993 1.00 13.23 C ATOM 1157 ND1 HIS A 82 17.446 -14.906 -5.349 1.00 22.43 N ATOM 1158 CD2 HIS A 82 16.725 -14.260 -3.396 1.00 20.10 C ATOM 1159 CE1 HIS A 82 16.539 -13.970 -5.556 1.00 64.31 C ATOM 1160 NE2 HIS A 82 16.089 -13.565 -4.389 1.00 24.30 N ATOM 0 H HIS A 82 16.776 -16.762 -1.651 1.00 15.53 H new ATOM 0 HA HIS A 82 17.627 -17.924 -4.231 1.00 73.33 H new ATOM 0 HB2 HIS A 82 18.869 -15.783 -2.427 1.00 52.34 H new ATOM 0 HB3 HIS A 82 19.420 -16.203 -4.037 1.00 52.34 H new ATOM 0 HD2 HIS A 82 16.567 -14.148 -2.334 1.00 20.10 H new ATOM 0 HE1 HIS A 82 16.221 -13.600 -6.519 1.00 64.31 H new ATOM 0 HE2 HIS A 82 15.379 -12.847 -4.246 1.00 24.30 H new ATOM 1169 N HIS A 83 18.477 -19.414 -1.730 1.00 60.31 N ATOM 1170 CA HIS A 83 19.324 -20.381 -0.995 1.00 35.44 C ATOM 1171 C HIS A 83 18.715 -21.802 -1.077 1.00 22.31 C ATOM 1172 O HIS A 83 17.486 -21.947 -1.091 1.00 73.22 O ATOM 1173 CB HIS A 83 19.458 -19.948 0.491 1.00 74.54 C ATOM 1174 CG HIS A 83 19.959 -18.539 0.678 1.00 2.05 C ATOM 1175 ND1 HIS A 83 21.282 -18.186 0.549 1.00 32.13 N ATOM 1176 CD2 HIS A 83 19.299 -17.391 0.964 1.00 14.25 C ATOM 1177 CE1 HIS A 83 21.411 -16.892 0.747 1.00 34.31 C ATOM 1178 NE2 HIS A 83 20.225 -16.383 0.999 1.00 52.42 N ATOM 0 H HIS A 83 17.491 -19.467 -1.474 1.00 60.31 H new ATOM 0 HA HIS A 83 20.313 -20.397 -1.453 1.00 35.44 H new ATOM 0 HB2 HIS A 83 18.486 -20.044 0.975 1.00 74.54 H new ATOM 0 HB3 HIS A 83 20.136 -20.634 0.998 1.00 74.54 H new ATOM 0 HD2 HIS A 83 18.237 -17.290 1.133 1.00 14.25 H new ATOM 0 HE1 HIS A 83 22.338 -16.339 0.709 1.00 34.31 H new ATOM 0 HE2 HIS A 83 20.028 -15.400 1.189 1.00 52.42 H new ATOM 1187 N HIS A 84 19.582 -22.840 -1.129 1.00 55.21 N ATOM 1188 CA HIS A 84 19.142 -24.263 -1.119 1.00 24.43 C ATOM 1189 C HIS A 84 18.487 -24.650 0.239 1.00 34.21 C ATOM 1190 O HIS A 84 18.770 -24.028 1.272 1.00 32.43 O ATOM 1191 CB HIS A 84 20.321 -25.218 -1.478 1.00 22.25 C ATOM 1192 CG HIS A 84 21.604 -24.994 -0.716 1.00 14.23 C ATOM 1193 ND1 HIS A 84 21.704 -25.107 0.652 1.00 11.21 N ATOM 1194 CD2 HIS A 84 22.848 -24.664 -1.146 1.00 73.33 C ATOM 1195 CE1 HIS A 84 22.940 -24.855 1.026 1.00 33.21 C ATOM 1196 NE2 HIS A 84 23.654 -24.586 -0.042 1.00 63.43 N ATOM 0 H HIS A 84 20.594 -22.722 -1.179 1.00 55.21 H new ATOM 0 HA HIS A 84 18.378 -24.377 -1.888 1.00 24.43 H new ATOM 0 HB2 HIS A 84 19.996 -26.245 -1.310 1.00 22.25 H new ATOM 0 HB3 HIS A 84 20.531 -25.120 -2.543 1.00 22.25 H new ATOM 0 HD2 HIS A 84 23.147 -24.494 -2.170 1.00 73.33 H new ATOM 0 HE1 HIS A 84 23.306 -24.867 2.042 1.00 33.21 H new ATOM 0 HE2 HIS A 84 24.648 -24.356 -0.048 1.00 63.43 H new ATOM 1205 N HIS A 85 17.629 -25.697 0.212 1.00 10.31 N ATOM 1206 CA HIS A 85 16.753 -26.084 1.355 1.00 54.14 C ATOM 1207 C HIS A 85 17.572 -26.407 2.637 1.00 52.33 C ATOM 1208 O HIS A 85 18.451 -27.272 2.617 1.00 23.43 O ATOM 1209 CB HIS A 85 15.861 -27.291 0.964 1.00 40.34 C ATOM 1210 CG HIS A 85 14.973 -27.032 -0.234 1.00 51.55 C ATOM 1211 ND1 HIS A 85 13.796 -26.317 -0.156 1.00 73.44 N ATOM 1212 CD2 HIS A 85 15.109 -27.371 -1.544 1.00 33.32 C ATOM 1213 CE1 HIS A 85 13.249 -26.234 -1.353 1.00 54.50 C ATOM 1214 NE2 HIS A 85 14.025 -26.859 -2.213 1.00 55.43 N ATOM 0 H HIS A 85 17.521 -26.301 -0.602 1.00 10.31 H new ATOM 0 HA HIS A 85 16.118 -25.228 1.584 1.00 54.14 H new ATOM 0 HB2 HIS A 85 16.499 -28.149 0.753 1.00 40.34 H new ATOM 0 HB3 HIS A 85 15.237 -27.560 1.816 1.00 40.34 H new ATOM 0 HD2 HIS A 85 15.920 -27.938 -1.978 1.00 33.32 H new ATOM 0 HE1 HIS A 85 12.320 -25.736 -1.588 1.00 54.50 H new ATOM 0 HE2 HIS A 85 13.850 -26.948 -3.214 1.00 55.43 H new ATOM 1223 N HIS A 86 17.261 -25.700 3.741 1.00 32.21 N ATOM 1224 CA HIS A 86 18.068 -25.731 4.985 1.00 33.23 C ATOM 1225 C HIS A 86 17.634 -26.873 5.937 1.00 32.40 C ATOM 1226 O HIS A 86 16.510 -26.870 6.455 1.00 34.00 O ATOM 1227 CB HIS A 86 17.983 -24.358 5.700 1.00 73.52 C ATOM 1228 CG HIS A 86 18.476 -23.210 4.853 1.00 53.42 C ATOM 1229 ND1 HIS A 86 19.738 -23.182 4.300 1.00 55.12 N ATOM 1230 CD2 HIS A 86 17.867 -22.069 4.437 1.00 62.34 C ATOM 1231 CE1 HIS A 86 19.883 -22.089 3.586 1.00 2.42 C ATOM 1232 NE2 HIS A 86 18.767 -21.399 3.648 1.00 51.22 N ATOM 0 H HIS A 86 16.445 -25.091 3.799 1.00 32.21 H new ATOM 0 HA HIS A 86 19.103 -25.930 4.706 1.00 33.23 H new ATOM 0 HB2 HIS A 86 16.949 -24.170 5.988 1.00 73.52 H new ATOM 0 HB3 HIS A 86 18.567 -24.399 6.619 1.00 73.52 H new ATOM 0 HD2 HIS A 86 16.864 -21.750 4.681 1.00 62.34 H new ATOM 0 HE1 HIS A 86 20.771 -21.805 3.040 1.00 2.42 H new ATOM 0 HE2 HIS A 86 18.597 -20.507 3.183 1.00 51.22 H new ATOM 1241 N HIS A 87 18.548 -27.840 6.158 1.00 11.42 N ATOM 1242 CA HIS A 87 18.325 -28.993 7.060 1.00 72.01 C ATOM 1243 C HIS A 87 18.989 -28.749 8.432 1.00 31.41 C ATOM 1244 O HIS A 87 20.064 -28.145 8.526 1.00 22.32 O ATOM 1245 CB HIS A 87 18.874 -30.283 6.391 1.00 24.34 C ATOM 1246 CG HIS A 87 18.594 -31.561 7.149 1.00 24.42 C ATOM 1247 ND1 HIS A 87 17.319 -32.018 7.404 1.00 23.12 N ATOM 1248 CD2 HIS A 87 19.427 -32.476 7.707 1.00 44.35 C ATOM 1249 CE1 HIS A 87 17.380 -33.144 8.081 1.00 3.02 C ATOM 1250 NE2 HIS A 87 18.645 -33.446 8.279 1.00 34.51 N ATOM 0 H HIS A 87 19.467 -27.845 5.714 1.00 11.42 H new ATOM 0 HA HIS A 87 17.256 -29.115 7.233 1.00 72.01 H new ATOM 0 HB2 HIS A 87 18.445 -30.368 5.393 1.00 24.34 H new ATOM 0 HB3 HIS A 87 19.952 -30.180 6.267 1.00 24.34 H new ATOM 0 HD2 HIS A 87 20.507 -32.446 7.701 1.00 44.35 H new ATOM 0 HE1 HIS A 87 16.533 -33.724 8.418 1.00 3.02 H new ATOM 0 HE2 HIS A 87 18.988 -34.268 8.777 1.00 34.51 H new TER 1259 HIS A 87