USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 405 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 NoAdj-H: A 119 HIS HE2 : A 119 HIS NE2 : A 156 ZNZN :(H bumps) USER MOD Set 1.1: A 125 LYS NZ :NH3+ -166:sc= 1.22 (180deg=-0.039) USER MOD Set 1.2: A 127 THR OG1 : rot -21:sc= 1.6 USER MOD Single : A 94 MET CE :methyl -178:sc= 0 (180deg=-0.00414) USER MOD Single : A 95 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.13) USER MOD Single : A 102 SER OG : rot -110:sc= -0.606 USER MOD Single : A 103 TYR OH : rot 34:sc= 1.31 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= -0.511 USER MOD Single : A 118 SER OG : rot 81:sc= 1.21 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 122 MET CE :methyl -139:sc= -4.9! (180deg=-11.6!) USER MOD Single : A 129 ASN : amide:sc= -0.0215 X(o=-0.021,f=0) USER MOD Single : A 139 SER OG : rot -134:sc= 1.73 USER MOD Single : A 141 TYR OH : rot -166:sc= 1.4 USER MOD Single : A 142 LYS NZ :NH3+ -173:sc= 0.907 (180deg=0.866) USER MOD Single : A 144 ASN : amide:sc= -1.95 K(o=-1.9,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -6.128 -8.633 -0.220 1.00 0.68 N ATOM 2 CA MET A 94 -6.762 -8.149 1.002 1.00 0.62 C ATOM 3 C MET A 94 -6.656 -8.983 2.277 1.00 0.92 C ATOM 4 O MET A 94 -7.185 -8.608 3.315 1.00 1.99 O ATOM 5 CB MET A 94 -8.236 -7.955 0.660 1.00 0.62 C ATOM 6 CG MET A 94 -8.416 -7.121 -0.616 1.00 0.60 C ATOM 7 SD MET A 94 -9.843 -6.011 -0.708 1.00 0.99 S ATOM 8 CE MET A 94 -11.180 -7.210 -0.461 1.00 2.05 C ATOM 0 HA MET A 94 -6.208 -7.250 1.274 1.00 0.62 H new ATOM 0 HB2 MET A 94 -8.711 -8.928 0.529 1.00 0.62 H new ATOM 0 HB3 MET A 94 -8.741 -7.463 1.491 1.00 0.62 H new ATOM 0 HG2 MET A 94 -7.516 -6.521 -0.753 1.00 0.60 H new ATOM 0 HG3 MET A 94 -8.472 -7.809 -1.460 1.00 0.60 H new ATOM 0 HE1 MET A 94 -12.142 -6.701 -0.524 1.00 2.05 H new ATOM 0 HE2 MET A 94 -11.126 -7.979 -1.231 1.00 2.05 H new ATOM 0 HE3 MET A 94 -11.078 -7.672 0.521 1.00 2.05 H new ATOM 18 N LYS A 95 -5.969 -10.108 2.209 1.00 0.93 N ATOM 19 CA LYS A 95 -5.549 -10.843 3.392 1.00 0.99 C ATOM 20 C LYS A 95 -4.547 -10.048 4.242 1.00 1.06 C ATOM 21 O LYS A 95 -4.822 -9.724 5.398 1.00 1.52 O ATOM 22 CB LYS A 95 -5.024 -12.226 2.950 1.00 1.02 C ATOM 23 CG LYS A 95 -4.062 -12.242 1.736 1.00 0.99 C ATOM 24 CD LYS A 95 -2.667 -12.701 2.163 1.00 1.03 C ATOM 25 CE LYS A 95 -1.585 -12.648 1.076 1.00 1.11 C ATOM 26 NZ LYS A 95 -0.238 -12.885 1.665 1.00 2.14 N ATOM 0 H LYS A 95 -5.685 -10.541 1.330 1.00 0.93 H new ATOM 0 HA LYS A 95 -6.402 -10.997 4.053 1.00 0.99 H new ATOM 0 HB2 LYS A 95 -4.513 -12.684 3.797 1.00 1.02 H new ATOM 0 HB3 LYS A 95 -5.881 -12.858 2.715 1.00 1.02 H new ATOM 0 HG2 LYS A 95 -4.450 -12.908 0.966 1.00 0.99 H new ATOM 0 HG3 LYS A 95 -4.005 -11.246 1.297 1.00 0.99 H new ATOM 0 HD2 LYS A 95 -2.343 -12.085 3.002 1.00 1.03 H new ATOM 0 HD3 LYS A 95 -2.738 -13.725 2.529 1.00 1.03 H new ATOM 0 HE2 LYS A 95 -1.791 -13.399 0.313 1.00 1.11 H new ATOM 0 HE3 LYS A 95 -1.606 -11.677 0.582 1.00 1.11 H new ATOM 0 HZ1 LYS A 95 0.486 -12.795 0.924 1.00 2.14 H new ATOM 0 HZ2 LYS A 95 -0.058 -12.184 2.412 1.00 2.14 H new ATOM 0 HZ3 LYS A 95 -0.200 -13.842 2.071 1.00 2.14 H new ATOM 40 N ASP A 96 -3.400 -9.760 3.627 1.00 0.94 N ATOM 41 CA ASP A 96 -2.096 -9.435 4.224 1.00 0.98 C ATOM 42 C ASP A 96 -0.971 -9.529 3.157 1.00 0.92 C ATOM 43 O ASP A 96 -0.275 -10.537 3.053 1.00 1.05 O ATOM 44 CB ASP A 96 -1.853 -10.345 5.425 1.00 1.13 C ATOM 45 CG ASP A 96 -0.525 -10.049 6.116 1.00 1.42 C ATOM 46 OD1 ASP A 96 -0.376 -8.870 6.507 1.00 2.53 O ATOM 47 OD2 ASP A 96 0.278 -10.995 6.261 1.00 2.08 O ATOM 0 H ASP A 96 -3.351 -9.746 2.608 1.00 0.94 H new ATOM 0 HA ASP A 96 -2.092 -8.406 4.583 1.00 0.98 H new ATOM 0 HB2 ASP A 96 -2.667 -10.225 6.140 1.00 1.13 H new ATOM 0 HB3 ASP A 96 -1.867 -11.385 5.099 1.00 1.13 H new ATOM 52 N PRO A 97 -0.923 -8.551 2.239 1.00 0.77 N ATOM 53 CA PRO A 97 -0.128 -8.539 1.008 1.00 0.77 C ATOM 54 C PRO A 97 1.298 -7.995 1.197 1.00 0.76 C ATOM 55 O PRO A 97 2.198 -8.731 1.587 1.00 1.57 O ATOM 56 CB PRO A 97 -0.962 -7.677 0.054 1.00 0.71 C ATOM 57 CG PRO A 97 -1.637 -6.679 1.000 1.00 0.58 C ATOM 58 CD PRO A 97 -1.975 -7.559 2.167 1.00 0.70 C ATOM 0 HA PRO A 97 0.049 -9.546 0.630 1.00 0.77 H new ATOM 0 HB2 PRO A 97 -0.339 -7.175 -0.686 1.00 0.71 H new ATOM 0 HB3 PRO A 97 -1.692 -8.272 -0.495 1.00 0.71 H new ATOM 0 HG2 PRO A 97 -0.970 -5.863 1.280 1.00 0.58 H new ATOM 0 HG3 PRO A 97 -2.524 -6.227 0.556 1.00 0.58 H new ATOM 0 HD2 PRO A 97 -2.029 -6.980 3.089 1.00 0.70 H new ATOM 0 HD3 PRO A 97 -2.948 -8.032 2.030 1.00 0.70 H new ATOM 66 N ILE A 98 1.500 -6.714 0.867 1.00 0.69 N ATOM 67 CA ILE A 98 2.696 -5.921 1.124 1.00 0.68 C ATOM 68 C ILE A 98 2.524 -5.312 2.506 1.00 0.65 C ATOM 69 O ILE A 98 1.416 -4.968 2.904 1.00 0.60 O ATOM 70 CB ILE A 98 2.867 -4.785 0.096 1.00 0.75 C ATOM 71 CG1 ILE A 98 2.532 -5.196 -1.352 1.00 0.80 C ATOM 72 CG2 ILE A 98 4.231 -4.102 0.335 1.00 0.76 C ATOM 73 CD1 ILE A 98 3.418 -4.612 -2.444 1.00 0.80 C ATOM 0 H ILE A 98 0.783 -6.174 0.382 1.00 0.69 H new ATOM 0 HA ILE A 98 3.578 -6.557 1.053 1.00 0.68 H new ATOM 0 HB ILE A 98 2.109 -4.019 0.256 1.00 0.75 H new ATOM 0 HG12 ILE A 98 2.580 -6.283 -1.418 1.00 0.80 H new ATOM 0 HG13 ILE A 98 1.501 -4.909 -1.559 1.00 0.80 H new ATOM 0 HG21 ILE A 98 4.365 -3.296 -0.386 1.00 0.76 H new ATOM 0 HG22 ILE A 98 4.262 -3.694 1.345 1.00 0.76 H new ATOM 0 HG23 ILE A 98 5.030 -4.833 0.214 1.00 0.76 H new ATOM 0 HD11 ILE A 98 3.084 -4.974 -3.416 1.00 0.80 H new ATOM 0 HD12 ILE A 98 3.355 -3.524 -2.421 1.00 0.80 H new ATOM 0 HD13 ILE A 98 4.451 -4.919 -2.278 1.00 0.80 H new ATOM 85 N ILE A 99 3.621 -5.127 3.215 1.00 0.69 N ATOM 86 CA ILE A 99 3.613 -4.733 4.627 1.00 0.68 C ATOM 87 C ILE A 99 4.112 -3.309 4.839 1.00 0.64 C ATOM 88 O ILE A 99 5.109 -2.917 4.240 1.00 0.71 O ATOM 89 CB ILE A 99 4.454 -5.744 5.429 1.00 0.77 C ATOM 90 CG1 ILE A 99 3.829 -7.153 5.374 1.00 0.86 C ATOM 91 CG2 ILE A 99 4.656 -5.308 6.890 1.00 0.77 C ATOM 92 CD1 ILE A 99 2.551 -7.318 6.210 1.00 0.94 C ATOM 0 H ILE A 99 4.558 -5.245 2.830 1.00 0.69 H new ATOM 0 HA ILE A 99 2.583 -4.744 4.983 1.00 0.68 H new ATOM 0 HB ILE A 99 5.436 -5.776 4.957 1.00 0.77 H new ATOM 0 HG12 ILE A 99 3.602 -7.395 4.336 1.00 0.86 H new ATOM 0 HG13 ILE A 99 4.568 -7.878 5.717 1.00 0.86 H new ATOM 0 HG21 ILE A 99 5.255 -6.054 7.413 1.00 0.77 H new ATOM 0 HG22 ILE A 99 5.170 -4.347 6.915 1.00 0.77 H new ATOM 0 HG23 ILE A 99 3.686 -5.214 7.379 1.00 0.77 H new ATOM 0 HD11 ILE A 99 2.181 -8.339 6.112 1.00 0.94 H new ATOM 0 HD12 ILE A 99 2.772 -7.111 7.257 1.00 0.94 H new ATOM 0 HD13 ILE A 99 1.791 -6.621 5.855 1.00 0.94 H new ATOM 104 N ILE A 100 3.463 -2.581 5.751 1.00 0.55 N ATOM 105 CA ILE A 100 3.820 -1.248 6.243 1.00 0.52 C ATOM 106 C ILE A 100 3.867 -1.273 7.768 1.00 0.57 C ATOM 107 O ILE A 100 2.865 -1.605 8.398 1.00 0.69 O ATOM 108 CB ILE A 100 2.756 -0.225 5.780 1.00 0.43 C ATOM 109 CG1 ILE A 100 2.614 -0.224 4.242 1.00 0.40 C ATOM 110 CG2 ILE A 100 3.054 1.197 6.294 1.00 0.50 C ATOM 111 CD1 ILE A 100 3.905 0.134 3.496 1.00 0.48 C ATOM 0 H ILE A 100 2.615 -2.932 6.196 1.00 0.55 H new ATOM 0 HA ILE A 100 4.795 -0.961 5.849 1.00 0.52 H new ATOM 0 HB ILE A 100 1.808 -0.540 6.216 1.00 0.43 H new ATOM 0 HG12 ILE A 100 2.281 -1.210 3.918 1.00 0.40 H new ATOM 0 HG13 ILE A 100 1.835 0.485 3.960 1.00 0.40 H new ATOM 0 HG21 ILE A 100 2.280 1.880 5.944 1.00 0.50 H new ATOM 0 HG22 ILE A 100 3.069 1.194 7.384 1.00 0.50 H new ATOM 0 HG23 ILE A 100 4.024 1.524 5.919 1.00 0.50 H new ATOM 0 HD11 ILE A 100 3.722 0.113 2.422 1.00 0.48 H new ATOM 0 HD12 ILE A 100 4.230 1.132 3.789 1.00 0.48 H new ATOM 0 HD13 ILE A 100 4.682 -0.588 3.746 1.00 0.48 H new ATOM 123 N GLU A 101 5.008 -0.878 8.326 1.00 0.59 N ATOM 124 CA GLU A 101 5.222 -0.716 9.775 1.00 0.62 C ATOM 125 C GLU A 101 4.642 0.609 10.283 1.00 0.71 C ATOM 126 O GLU A 101 4.650 1.597 9.553 1.00 0.99 O ATOM 127 CB GLU A 101 6.715 -0.846 10.137 1.00 0.72 C ATOM 128 CG GLU A 101 6.946 -2.140 10.913 1.00 0.80 C ATOM 129 CD GLU A 101 8.407 -2.368 11.265 1.00 1.40 C ATOM 130 OE1 GLU A 101 8.821 -1.817 12.309 1.00 2.61 O ATOM 131 OE2 GLU A 101 9.066 -3.112 10.510 1.00 2.18 O ATOM 0 H GLU A 101 5.836 -0.654 7.774 1.00 0.59 H new ATOM 0 HA GLU A 101 4.687 -1.522 10.277 1.00 0.62 H new ATOM 0 HB2 GLU A 101 7.321 -0.841 9.231 1.00 0.72 H new ATOM 0 HB3 GLU A 101 7.030 0.009 10.735 1.00 0.72 H new ATOM 0 HG2 GLU A 101 6.356 -2.118 11.829 1.00 0.80 H new ATOM 0 HG3 GLU A 101 6.585 -2.981 10.322 1.00 0.80 H new ATOM 138 N SER A 102 4.129 0.662 11.519 1.00 0.68 N ATOM 139 CA SER A 102 3.345 1.848 11.923 1.00 0.81 C ATOM 140 C SER A 102 3.348 2.212 13.400 1.00 1.08 C ATOM 141 O SER A 102 3.508 3.391 13.710 1.00 2.51 O ATOM 142 CB SER A 102 1.894 1.648 11.469 1.00 0.86 C ATOM 143 OG SER A 102 0.992 2.564 12.075 1.00 1.71 O ATOM 0 H SER A 102 4.232 -0.062 12.230 1.00 0.68 H new ATOM 0 HA SER A 102 3.845 2.686 11.438 1.00 0.81 H new ATOM 0 HB2 SER A 102 1.840 1.756 10.386 1.00 0.86 H new ATOM 0 HB3 SER A 102 1.582 0.630 11.704 1.00 0.86 H new ATOM 0 HG SER A 102 0.416 2.086 12.708 1.00 1.71 H new ATOM 149 N TYR A 103 3.067 1.254 14.286 1.00 1.11 N ATOM 150 CA TYR A 103 3.103 1.401 15.747 1.00 1.05 C ATOM 151 C TYR A 103 1.906 2.128 16.400 1.00 1.09 C ATOM 152 O TYR A 103 1.763 2.087 17.623 1.00 1.65 O ATOM 153 CB TYR A 103 4.405 2.059 16.200 1.00 1.09 C ATOM 154 CG TYR A 103 5.699 1.619 15.541 1.00 1.18 C ATOM 155 CD1 TYR A 103 6.006 0.255 15.397 1.00 2.08 C ATOM 156 CD2 TYR A 103 6.615 2.590 15.096 1.00 2.19 C ATOM 157 CE1 TYR A 103 7.185 -0.141 14.740 1.00 2.23 C ATOM 158 CE2 TYR A 103 7.816 2.200 14.477 1.00 2.64 C ATOM 159 CZ TYR A 103 8.084 0.832 14.256 1.00 2.04 C ATOM 160 OH TYR A 103 9.190 0.460 13.558 1.00 2.62 O ATOM 0 H TYR A 103 2.797 0.314 13.995 1.00 1.11 H new ATOM 0 HA TYR A 103 3.035 0.372 16.101 1.00 1.05 H new ATOM 0 HB2 TYR A 103 4.304 3.134 16.050 1.00 1.09 H new ATOM 0 HB3 TYR A 103 4.505 1.895 17.273 1.00 1.09 H new ATOM 0 HD1 TYR A 103 5.334 -0.492 15.792 1.00 2.08 H new ATOM 0 HD2 TYR A 103 6.395 3.639 15.230 1.00 2.19 H new ATOM 0 HE1 TYR A 103 7.402 -1.190 14.606 1.00 2.23 H new ATOM 0 HE2 TYR A 103 8.533 2.947 14.171 1.00 2.64 H new ATOM 0 HH TYR A 103 8.989 -0.341 13.030 1.00 2.62 H new ATOM 170 N ASP A 104 1.067 2.758 15.571 1.00 0.78 N ATOM 171 CA ASP A 104 -0.075 3.614 15.939 1.00 0.81 C ATOM 172 C ASP A 104 -1.383 3.154 15.232 1.00 1.06 C ATOM 173 O ASP A 104 -2.286 3.948 14.991 1.00 2.71 O ATOM 174 CB ASP A 104 0.207 5.076 15.532 1.00 1.05 C ATOM 175 CG ASP A 104 1.505 5.778 16.000 1.00 1.59 C ATOM 176 OD1 ASP A 104 2.587 5.152 16.100 1.00 2.57 O ATOM 177 OD2 ASP A 104 1.467 7.023 16.091 1.00 2.39 O ATOM 0 H ASP A 104 1.171 2.681 14.559 1.00 0.78 H new ATOM 0 HA ASP A 104 -0.206 3.535 17.018 1.00 0.81 H new ATOM 0 HB2 ASP A 104 0.192 5.117 14.443 1.00 1.05 H new ATOM 0 HB3 ASP A 104 -0.631 5.677 15.885 1.00 1.05 H new ATOM 182 N ASP A 105 -1.437 1.894 14.792 1.00 1.04 N ATOM 183 CA ASP A 105 -2.572 1.160 14.202 1.00 0.90 C ATOM 184 C ASP A 105 -3.166 1.641 12.861 1.00 0.84 C ATOM 185 O ASP A 105 -3.844 0.839 12.224 1.00 1.04 O ATOM 186 CB ASP A 105 -3.704 0.916 15.229 1.00 1.02 C ATOM 187 CG ASP A 105 -3.393 -0.165 16.274 1.00 2.09 C ATOM 188 OD1 ASP A 105 -2.659 -1.119 15.931 1.00 3.24 O ATOM 189 OD2 ASP A 105 -3.957 -0.077 17.385 1.00 2.74 O ATOM 0 H ASP A 105 -0.609 1.300 14.843 1.00 1.04 H new ATOM 0 HA ASP A 105 -2.077 0.230 13.924 1.00 0.90 H new ATOM 0 HB2 ASP A 105 -3.917 1.852 15.745 1.00 1.02 H new ATOM 0 HB3 ASP A 105 -4.610 0.635 14.692 1.00 1.02 H new ATOM 194 N TYR A 106 -2.918 2.860 12.365 1.00 0.81 N ATOM 195 CA TYR A 106 -3.482 3.353 11.081 1.00 1.12 C ATOM 196 C TYR A 106 -2.452 3.956 10.108 1.00 1.40 C ATOM 197 O TYR A 106 -2.182 3.423 9.032 1.00 3.08 O ATOM 198 CB TYR A 106 -4.690 4.298 11.303 1.00 1.29 C ATOM 199 CG TYR A 106 -4.999 4.700 12.734 1.00 1.17 C ATOM 200 CD1 TYR A 106 -4.198 5.657 13.387 1.00 1.76 C ATOM 201 CD2 TYR A 106 -6.070 4.096 13.419 1.00 2.57 C ATOM 202 CE1 TYR A 106 -4.450 5.994 14.729 1.00 1.79 C ATOM 203 CE2 TYR A 106 -6.336 4.436 14.757 1.00 2.81 C ATOM 204 CZ TYR A 106 -5.514 5.374 15.420 1.00 1.67 C ATOM 205 OH TYR A 106 -5.734 5.662 16.730 1.00 2.17 O ATOM 0 H TYR A 106 -2.321 3.540 12.836 1.00 0.81 H new ATOM 0 HA TYR A 106 -3.842 2.455 10.578 1.00 1.12 H new ATOM 0 HB2 TYR A 106 -4.519 5.207 10.726 1.00 1.29 H new ATOM 0 HB3 TYR A 106 -5.576 3.818 10.888 1.00 1.29 H new ATOM 0 HD1 TYR A 106 -3.388 6.134 12.855 1.00 1.76 H new ATOM 0 HD2 TYR A 106 -6.690 3.369 12.915 1.00 2.57 H new ATOM 0 HE1 TYR A 106 -3.832 6.725 15.229 1.00 1.79 H new ATOM 0 HE2 TYR A 106 -7.167 3.981 15.276 1.00 2.81 H new ATOM 0 HH TYR A 106 -6.505 5.150 17.052 1.00 2.17 H new ATOM 215 N ARG A 107 -1.901 5.104 10.494 1.00 0.68 N ATOM 216 CA ARG A 107 -0.920 5.902 9.725 1.00 0.75 C ATOM 217 C ARG A 107 -1.442 6.352 8.333 1.00 1.21 C ATOM 218 O ARG A 107 -2.621 6.217 8.009 1.00 2.19 O ATOM 219 CB ARG A 107 0.412 5.100 9.632 1.00 0.91 C ATOM 220 CG ARG A 107 1.545 5.661 10.503 1.00 1.17 C ATOM 221 CD ARG A 107 1.137 5.791 11.975 1.00 2.17 C ATOM 222 NE ARG A 107 2.297 5.814 12.871 1.00 2.60 N ATOM 223 CZ ARG A 107 3.055 6.844 13.201 1.00 2.99 C ATOM 224 NH1 ARG A 107 2.945 8.014 12.606 1.00 3.38 N ATOM 225 NH2 ARG A 107 3.925 6.680 14.165 1.00 3.91 N ATOM 0 H ARG A 107 -2.130 5.532 11.391 1.00 0.68 H new ATOM 0 HA ARG A 107 -0.744 6.836 10.258 1.00 0.75 H new ATOM 0 HB2 ARG A 107 0.222 4.067 9.923 1.00 0.91 H new ATOM 0 HB3 ARG A 107 0.741 5.083 8.593 1.00 0.91 H new ATOM 0 HG2 ARG A 107 2.416 5.010 10.426 1.00 1.17 H new ATOM 0 HG3 ARG A 107 1.843 6.638 10.123 1.00 1.17 H new ATOM 0 HD2 ARG A 107 0.557 6.704 12.110 1.00 2.17 H new ATOM 0 HD3 ARG A 107 0.488 4.958 12.245 1.00 2.17 H new ATOM 0 HE ARG A 107 2.551 4.921 13.293 1.00 2.60 H new ATOM 0 HH11 ARG A 107 2.257 8.146 11.864 1.00 3.38 H new ATOM 0 HH12 ARG A 107 3.547 8.788 12.887 1.00 3.38 H new ATOM 0 HH21 ARG A 107 4.001 5.778 14.635 1.00 3.91 H new ATOM 0 HH22 ARG A 107 4.527 7.454 14.446 1.00 3.91 H new ATOM 239 N TYR A 108 -0.551 6.873 7.487 1.00 0.78 N ATOM 240 CA TYR A 108 -0.680 6.768 6.029 1.00 0.69 C ATOM 241 C TYR A 108 0.529 6.017 5.447 1.00 0.62 C ATOM 242 O TYR A 108 1.559 5.904 6.111 1.00 0.69 O ATOM 243 CB TYR A 108 -0.841 8.155 5.382 1.00 0.73 C ATOM 244 CG TYR A 108 0.486 8.829 5.105 1.00 0.70 C ATOM 245 CD1 TYR A 108 1.177 9.453 6.158 1.00 1.69 C ATOM 246 CD2 TYR A 108 1.087 8.703 3.835 1.00 1.96 C ATOM 247 CE1 TYR A 108 2.481 9.935 5.956 1.00 1.61 C ATOM 248 CE2 TYR A 108 2.405 9.156 3.640 1.00 2.12 C ATOM 249 CZ TYR A 108 3.106 9.777 4.699 1.00 0.96 C ATOM 250 OH TYR A 108 4.378 10.226 4.519 1.00 1.20 O ATOM 0 H TYR A 108 0.280 7.380 7.791 1.00 0.78 H new ATOM 0 HA TYR A 108 -1.582 6.200 5.801 1.00 0.69 H new ATOM 0 HB2 TYR A 108 -1.394 8.054 4.448 1.00 0.73 H new ATOM 0 HB3 TYR A 108 -1.436 8.790 6.038 1.00 0.73 H new ATOM 0 HD1 TYR A 108 0.705 9.562 7.123 1.00 1.69 H new ATOM 0 HD2 TYR A 108 0.538 8.261 3.016 1.00 1.96 H new ATOM 0 HE1 TYR A 108 3.006 10.426 6.762 1.00 1.61 H new ATOM 0 HE2 TYR A 108 2.882 9.029 2.679 1.00 2.12 H new ATOM 0 HH TYR A 108 4.663 10.041 3.600 1.00 1.20 H new ATOM 260 N VAL A 109 0.409 5.540 4.213 1.00 0.59 N ATOM 261 CA VAL A 109 1.523 5.004 3.418 1.00 0.58 C ATOM 262 C VAL A 109 1.752 5.856 2.179 1.00 0.58 C ATOM 263 O VAL A 109 0.783 6.221 1.521 1.00 0.60 O ATOM 264 CB VAL A 109 1.276 3.541 3.007 1.00 0.62 C ATOM 265 CG1 VAL A 109 0.033 3.320 2.143 1.00 0.71 C ATOM 266 CG2 VAL A 109 2.492 3.012 2.250 1.00 0.72 C ATOM 0 H VAL A 109 -0.484 5.512 3.720 1.00 0.59 H new ATOM 0 HA VAL A 109 2.414 5.034 4.045 1.00 0.58 H new ATOM 0 HB VAL A 109 1.107 3.002 3.939 1.00 0.62 H new ATOM 0 HG11 VAL A 109 -0.060 2.261 1.903 1.00 0.71 H new ATOM 0 HG12 VAL A 109 -0.852 3.647 2.689 1.00 0.71 H new ATOM 0 HG13 VAL A 109 0.124 3.894 1.221 1.00 0.71 H new ATOM 0 HG21 VAL A 109 2.317 1.976 1.959 1.00 0.72 H new ATOM 0 HG22 VAL A 109 2.657 3.617 1.358 1.00 0.72 H new ATOM 0 HG23 VAL A 109 3.371 3.065 2.892 1.00 0.72 H new ATOM 276 N GLY A 110 3.016 6.128 1.851 1.00 0.65 N ATOM 277 CA GLY A 110 3.422 6.725 0.577 1.00 0.71 C ATOM 278 C GLY A 110 4.312 5.776 -0.222 1.00 0.59 C ATOM 279 O GLY A 110 5.449 5.540 0.180 1.00 0.80 O ATOM 0 H GLY A 110 3.800 5.936 2.474 1.00 0.65 H new ATOM 0 HA2 GLY A 110 2.537 6.976 -0.008 1.00 0.71 H new ATOM 0 HA3 GLY A 110 3.956 7.657 0.763 1.00 0.71 H new ATOM 283 N CYS A 111 3.808 5.285 -1.359 1.00 0.47 N ATOM 284 CA CYS A 111 4.529 4.475 -2.347 1.00 0.50 C ATOM 285 C CYS A 111 4.647 5.154 -3.731 1.00 0.44 C ATOM 286 O CYS A 111 3.828 5.993 -4.135 1.00 0.44 O ATOM 287 CB CYS A 111 3.894 3.069 -2.443 1.00 0.66 C ATOM 288 SG CYS A 111 2.521 2.762 -3.635 1.00 0.88 S ATOM 0 H CYS A 111 2.838 5.450 -1.629 1.00 0.47 H new ATOM 0 HA CYS A 111 5.555 4.373 -1.994 1.00 0.50 H new ATOM 0 HB2 CYS A 111 4.693 2.367 -2.680 1.00 0.66 H new ATOM 0 HB3 CYS A 111 3.526 2.810 -1.450 1.00 0.66 H new ATOM 293 N THR A 112 5.676 4.731 -4.473 1.00 0.49 N ATOM 294 CA THR A 112 6.002 5.223 -5.821 1.00 0.51 C ATOM 295 C THR A 112 6.108 4.128 -6.872 1.00 0.55 C ATOM 296 O THR A 112 6.630 4.352 -7.959 1.00 0.66 O ATOM 297 CB THR A 112 7.264 6.091 -5.787 1.00 0.68 C ATOM 298 OG1 THR A 112 8.271 5.402 -5.085 1.00 0.84 O ATOM 299 CG2 THR A 112 6.981 7.409 -5.072 1.00 0.79 C ATOM 0 H THR A 112 6.325 4.016 -4.145 1.00 0.49 H new ATOM 0 HA THR A 112 5.157 5.836 -6.132 1.00 0.51 H new ATOM 0 HB THR A 112 7.582 6.299 -6.809 1.00 0.68 H new ATOM 0 HG1 THR A 112 9.084 5.949 -5.059 1.00 0.84 H new ATOM 0 HG21 THR A 112 7.886 8.016 -5.055 1.00 0.79 H new ATOM 0 HG22 THR A 112 6.193 7.947 -5.599 1.00 0.79 H new ATOM 0 HG23 THR A 112 6.661 7.207 -4.050 1.00 0.79 H new ATOM 307 N GLY A 113 5.585 2.931 -6.596 1.00 0.65 N ATOM 308 CA GLY A 113 5.685 1.811 -7.532 1.00 0.86 C ATOM 309 C GLY A 113 6.921 0.984 -7.242 1.00 1.44 C ATOM 310 O GLY A 113 7.871 1.006 -8.022 1.00 2.73 O ATOM 0 H GLY A 113 5.088 2.713 -5.732 1.00 0.65 H new ATOM 0 HA2 GLY A 113 4.796 1.185 -7.456 1.00 0.86 H new ATOM 0 HA3 GLY A 113 5.724 2.187 -8.555 1.00 0.86 H new ATOM 314 N SER A 114 6.907 0.263 -6.116 1.00 1.26 N ATOM 315 CA SER A 114 8.060 -0.532 -5.655 1.00 1.60 C ATOM 316 C SER A 114 9.220 0.398 -5.181 1.00 1.58 C ATOM 317 O SER A 114 9.064 1.620 -5.265 1.00 1.62 O ATOM 318 CB SER A 114 8.410 -1.527 -6.781 1.00 2.10 C ATOM 319 OG SER A 114 8.735 -2.802 -6.268 1.00 3.07 O ATOM 0 H SER A 114 6.099 0.211 -5.496 1.00 1.26 H new ATOM 0 HA SER A 114 7.834 -1.122 -4.767 1.00 1.60 H new ATOM 0 HB2 SER A 114 7.566 -1.614 -7.465 1.00 2.10 H new ATOM 0 HB3 SER A 114 9.250 -1.142 -7.359 1.00 2.10 H new ATOM 0 HG SER A 114 8.950 -3.407 -7.008 1.00 3.07 H new ATOM 325 N PRO A 115 10.364 -0.087 -4.645 1.00 1.85 N ATOM 326 CA PRO A 115 11.329 0.779 -3.953 1.00 2.06 C ATOM 327 C PRO A 115 12.162 1.681 -4.876 1.00 2.15 C ATOM 328 O PRO A 115 12.946 2.484 -4.378 1.00 2.82 O ATOM 329 CB PRO A 115 12.240 -0.165 -3.161 1.00 2.56 C ATOM 330 CG PRO A 115 12.199 -1.462 -3.959 1.00 2.71 C ATOM 331 CD PRO A 115 10.792 -1.475 -4.550 1.00 2.29 C ATOM 0 HA PRO A 115 10.783 1.481 -3.323 1.00 2.06 H new ATOM 0 HB2 PRO A 115 13.254 0.227 -3.086 1.00 2.56 H new ATOM 0 HB3 PRO A 115 11.878 -0.310 -2.143 1.00 2.56 H new ATOM 0 HG2 PRO A 115 12.961 -1.478 -4.738 1.00 2.71 H new ATOM 0 HG3 PRO A 115 12.375 -2.330 -3.323 1.00 2.71 H new ATOM 0 HD2 PRO A 115 10.789 -1.949 -5.532 1.00 2.29 H new ATOM 0 HD3 PRO A 115 10.112 -2.047 -3.918 1.00 2.29 H new ATOM 339 N ALA A 116 12.040 1.535 -6.198 1.00 1.85 N ATOM 340 CA ALA A 116 12.862 2.238 -7.183 1.00 2.15 C ATOM 341 C ALA A 116 12.162 3.385 -7.919 1.00 2.01 C ATOM 342 O ALA A 116 12.806 4.116 -8.663 1.00 2.87 O ATOM 343 CB ALA A 116 13.376 1.175 -8.157 1.00 2.52 C ATOM 0 H ALA A 116 11.352 0.912 -6.621 1.00 1.85 H new ATOM 0 HA ALA A 116 13.672 2.744 -6.657 1.00 2.15 H new ATOM 0 HB1 ALA A 116 13.998 1.648 -8.917 1.00 2.52 H new ATOM 0 HB2 ALA A 116 13.966 0.437 -7.613 1.00 2.52 H new ATOM 0 HB3 ALA A 116 12.531 0.681 -8.636 1.00 2.52 H new ATOM 349 N GLY A 117 10.859 3.535 -7.696 1.00 1.21 N ATOM 350 CA GLY A 117 10.008 4.489 -8.407 1.00 1.05 C ATOM 351 C GLY A 117 9.624 3.980 -9.797 1.00 1.13 C ATOM 352 O GLY A 117 10.392 4.085 -10.744 1.00 1.87 O ATOM 0 H GLY A 117 10.353 2.986 -7.001 1.00 1.21 H new ATOM 0 HA2 GLY A 117 9.105 4.675 -7.825 1.00 1.05 H new ATOM 0 HA3 GLY A 117 10.529 5.442 -8.500 1.00 1.05 H new ATOM 356 N SER A 118 8.411 3.449 -9.924 1.00 0.74 N ATOM 357 CA SER A 118 7.826 3.046 -11.217 1.00 0.83 C ATOM 358 C SER A 118 6.739 4.000 -11.724 1.00 0.79 C ATOM 359 O SER A 118 6.609 4.182 -12.931 1.00 0.96 O ATOM 360 CB SER A 118 7.206 1.649 -11.118 1.00 0.90 C ATOM 361 OG SER A 118 8.149 0.674 -10.717 1.00 1.66 O ATOM 0 H SER A 118 7.794 3.281 -9.129 1.00 0.74 H new ATOM 0 HA SER A 118 8.656 3.065 -11.923 1.00 0.83 H new ATOM 0 HB2 SER A 118 6.381 1.669 -10.406 1.00 0.90 H new ATOM 0 HB3 SER A 118 6.786 1.370 -12.084 1.00 0.90 H new ATOM 0 HG SER A 118 8.264 0.711 -9.745 1.00 1.66 H new ATOM 367 N HIS A 119 5.944 4.592 -10.827 1.00 0.65 N ATOM 368 CA HIS A 119 4.939 5.604 -11.173 1.00 0.64 C ATOM 369 C HIS A 119 5.252 6.968 -10.525 1.00 0.67 C ATOM 370 O HIS A 119 6.413 7.271 -10.242 1.00 1.33 O ATOM 371 CB HIS A 119 3.561 5.009 -10.845 1.00 0.62 C ATOM 372 CG HIS A 119 3.237 4.830 -9.377 1.00 0.50 C ATOM 373 ND1 HIS A 119 2.808 5.783 -8.513 1.00 0.51 N ATOM 374 CD2 HIS A 119 3.135 3.626 -8.760 1.00 0.52 C ATOM 375 CE1 HIS A 119 2.544 5.229 -7.329 1.00 0.44 C ATOM 376 NE2 HIS A 119 2.673 3.896 -7.461 1.00 0.47 N ATOM 0 H HIS A 119 5.980 4.380 -9.830 1.00 0.65 H new ATOM 0 HA HIS A 119 4.950 5.839 -12.237 1.00 0.64 H new ATOM 0 HB2 HIS A 119 2.798 5.650 -11.288 1.00 0.62 H new ATOM 0 HB3 HIS A 119 3.484 4.037 -11.333 1.00 0.62 H new ATOM 0 HD1 HIS A 119 2.703 6.773 -8.735 1.00 0.51 H new ATOM 0 HD2 HIS A 119 3.362 2.658 -9.181 1.00 0.52 H new ATOM 0 HE1 HIS A 119 2.275 5.756 -6.426 1.00 0.44 H new ATOM 384 N THR A 120 4.226 7.800 -10.286 1.00 0.72 N ATOM 385 CA THR A 120 4.327 8.989 -9.416 1.00 0.76 C ATOM 386 C THR A 120 4.356 8.580 -7.946 1.00 0.70 C ATOM 387 O THR A 120 4.845 7.513 -7.620 1.00 0.61 O ATOM 388 CB THR A 120 3.215 9.961 -9.807 1.00 0.89 C ATOM 389 OG1 THR A 120 3.542 11.222 -9.279 1.00 0.98 O ATOM 390 CG2 THR A 120 1.846 9.517 -9.290 1.00 0.90 C ATOM 0 H THR A 120 3.299 7.669 -10.691 1.00 0.72 H new ATOM 0 HA THR A 120 5.269 9.519 -9.559 1.00 0.76 H new ATOM 0 HB THR A 120 3.142 9.994 -10.894 1.00 0.89 H new ATOM 0 HG1 THR A 120 2.844 11.867 -9.517 1.00 0.98 H new ATOM 0 HG21 THR A 120 1.090 10.241 -9.594 1.00 0.90 H new ATOM 0 HG22 THR A 120 1.600 8.539 -9.705 1.00 0.90 H new ATOM 0 HG23 THR A 120 1.871 9.454 -8.202 1.00 0.90 H new ATOM 398 N ILE A 121 3.805 9.387 -7.055 1.00 0.86 N ATOM 399 CA ILE A 121 3.484 9.069 -5.676 1.00 0.92 C ATOM 400 C ILE A 121 1.974 9.161 -5.418 1.00 1.01 C ATOM 401 O ILE A 121 1.270 9.966 -6.016 1.00 1.19 O ATOM 402 CB ILE A 121 4.303 9.980 -4.747 1.00 1.00 C ATOM 403 CG1 ILE A 121 3.948 9.622 -3.289 1.00 1.16 C ATOM 404 CG2 ILE A 121 4.141 11.480 -5.041 1.00 1.04 C ATOM 405 CD1 ILE A 121 5.112 9.712 -2.328 1.00 1.43 C ATOM 0 H ILE A 121 3.554 10.346 -7.293 1.00 0.86 H new ATOM 0 HA ILE A 121 3.757 8.035 -5.465 1.00 0.92 H new ATOM 0 HB ILE A 121 5.362 9.796 -4.929 1.00 1.00 H new ATOM 0 HG12 ILE A 121 3.156 10.287 -2.946 1.00 1.16 H new ATOM 0 HG13 ILE A 121 3.547 8.609 -3.263 1.00 1.16 H new ATOM 0 HG21 ILE A 121 4.750 12.055 -4.344 1.00 1.04 H new ATOM 0 HG22 ILE A 121 4.464 11.688 -6.061 1.00 1.04 H new ATOM 0 HG23 ILE A 121 3.094 11.762 -4.927 1.00 1.04 H new ATOM 0 HD11 ILE A 121 4.778 9.445 -1.326 1.00 1.43 H new ATOM 0 HD12 ILE A 121 5.898 9.026 -2.643 1.00 1.43 H new ATOM 0 HD13 ILE A 121 5.501 10.730 -2.321 1.00 1.43 H new ATOM 417 N MET A 122 1.500 8.340 -4.492 1.00 0.93 N ATOM 418 CA MET A 122 0.160 8.378 -3.923 1.00 0.93 C ATOM 419 C MET A 122 0.243 8.259 -2.391 1.00 0.79 C ATOM 420 O MET A 122 1.325 8.030 -1.849 1.00 0.91 O ATOM 421 CB MET A 122 -0.692 7.306 -4.624 1.00 1.08 C ATOM 422 CG MET A 122 -0.082 5.902 -4.682 1.00 1.38 C ATOM 423 SD MET A 122 -0.472 4.796 -3.319 1.00 3.57 S ATOM 424 CE MET A 122 0.827 5.114 -2.129 1.00 4.64 C ATOM 0 H MET A 122 2.069 7.591 -4.097 1.00 0.93 H new ATOM 0 HA MET A 122 -0.340 9.330 -4.100 1.00 0.93 H new ATOM 0 HB2 MET A 122 -1.654 7.243 -4.115 1.00 1.08 H new ATOM 0 HB3 MET A 122 -0.892 7.637 -5.643 1.00 1.08 H new ATOM 0 HG2 MET A 122 -0.406 5.428 -5.608 1.00 1.38 H new ATOM 0 HG3 MET A 122 1.002 6.004 -4.738 1.00 1.38 H new ATOM 0 HE1 MET A 122 1.158 4.172 -1.691 1.00 4.64 H new ATOM 0 HE2 MET A 122 1.667 5.597 -2.628 1.00 4.64 H new ATOM 0 HE3 MET A 122 0.448 5.767 -1.343 1.00 4.64 H new ATOM 434 N TRP A 123 -0.877 8.442 -1.683 1.00 0.72 N ATOM 435 CA TRP A 123 -0.942 8.331 -0.219 1.00 0.64 C ATOM 436 C TRP A 123 -2.208 7.559 0.190 1.00 0.63 C ATOM 437 O TRP A 123 -3.307 7.980 -0.170 1.00 0.81 O ATOM 438 CB TRP A 123 -0.934 9.709 0.483 1.00 0.67 C ATOM 439 CG TRP A 123 0.249 10.627 0.316 1.00 0.71 C ATOM 440 CD1 TRP A 123 1.020 11.059 1.337 1.00 2.51 C ATOM 441 CD2 TRP A 123 0.756 11.333 -0.867 1.00 1.59 C ATOM 442 NE1 TRP A 123 2.029 11.871 0.869 1.00 2.45 N ATOM 443 CE2 TRP A 123 1.920 12.070 -0.488 1.00 0.88 C ATOM 444 CE3 TRP A 123 0.349 11.461 -2.215 1.00 3.99 C ATOM 445 CZ2 TRP A 123 2.671 12.829 -1.394 1.00 1.45 C ATOM 446 CZ3 TRP A 123 1.094 12.225 -3.135 1.00 5.07 C ATOM 447 CH2 TRP A 123 2.244 12.919 -2.726 1.00 3.71 C ATOM 0 H TRP A 123 -1.773 8.673 -2.113 1.00 0.72 H new ATOM 0 HA TRP A 123 -0.049 7.794 0.100 1.00 0.64 H new ATOM 0 HB2 TRP A 123 -1.817 10.251 0.145 1.00 0.67 H new ATOM 0 HB3 TRP A 123 -1.059 9.531 1.551 1.00 0.67 H new ATOM 0 HD1 TRP A 123 0.867 10.804 2.375 1.00 2.51 H new ATOM 0 HE1 TRP A 123 2.762 12.273 1.453 1.00 2.45 H new ATOM 0 HE3 TRP A 123 -0.551 10.963 -2.546 1.00 3.99 H new ATOM 0 HZ2 TRP A 123 3.567 13.338 -1.071 1.00 1.45 H new ATOM 0 HZ3 TRP A 123 0.777 12.277 -4.166 1.00 5.07 H new ATOM 0 HH2 TRP A 123 2.797 13.519 -3.434 1.00 3.71 H new ATOM 458 N LEU A 124 -2.081 6.457 0.946 1.00 0.58 N ATOM 459 CA LEU A 124 -3.232 5.633 1.372 1.00 0.67 C ATOM 460 C LEU A 124 -3.327 5.552 2.899 1.00 0.73 C ATOM 461 O LEU A 124 -2.320 5.725 3.582 1.00 0.66 O ATOM 462 CB LEU A 124 -3.160 4.200 0.797 1.00 0.77 C ATOM 463 CG LEU A 124 -2.470 4.016 -0.567 1.00 0.79 C ATOM 464 CD1 LEU A 124 -2.180 2.528 -0.808 1.00 0.98 C ATOM 465 CD2 LEU A 124 -3.356 4.623 -1.664 1.00 0.84 C ATOM 0 H LEU A 124 -1.182 6.110 1.280 1.00 0.58 H new ATOM 0 HA LEU A 124 -4.122 6.126 0.980 1.00 0.67 H new ATOM 0 HB2 LEU A 124 -2.644 3.572 1.523 1.00 0.77 H new ATOM 0 HB3 LEU A 124 -4.178 3.819 0.713 1.00 0.77 H new ATOM 0 HG LEU A 124 -1.512 4.536 -0.583 1.00 0.79 H new ATOM 0 HD11 LEU A 124 -1.692 2.404 -1.775 1.00 0.98 H new ATOM 0 HD12 LEU A 124 -1.526 2.153 -0.021 1.00 0.98 H new ATOM 0 HD13 LEU A 124 -3.116 1.969 -0.800 1.00 0.98 H new ATOM 0 HD21 LEU A 124 -2.873 4.496 -2.633 1.00 0.84 H new ATOM 0 HD22 LEU A 124 -4.323 4.119 -1.671 1.00 0.84 H new ATOM 0 HD23 LEU A 124 -3.502 5.685 -1.468 1.00 0.84 H new ATOM 477 N LYS A 125 -4.497 5.187 3.440 1.00 0.87 N ATOM 478 CA LYS A 125 -4.644 4.800 4.857 1.00 0.74 C ATOM 479 C LYS A 125 -4.839 3.271 4.957 1.00 0.53 C ATOM 480 O LYS A 125 -5.946 2.782 4.716 1.00 0.69 O ATOM 481 CB LYS A 125 -5.714 5.677 5.578 1.00 1.00 C ATOM 482 CG LYS A 125 -7.196 5.231 5.619 1.00 2.40 C ATOM 483 CD LYS A 125 -7.535 4.340 6.840 1.00 3.48 C ATOM 484 CE LYS A 125 -8.764 3.447 6.594 1.00 4.90 C ATOM 485 NZ LYS A 125 -9.153 2.661 7.796 1.00 5.99 N ATOM 0 H LYS A 125 -5.369 5.150 2.912 1.00 0.87 H new ATOM 0 HA LYS A 125 -3.730 5.012 5.412 1.00 0.74 H new ATOM 0 HB2 LYS A 125 -5.386 5.801 6.610 1.00 1.00 H new ATOM 0 HB3 LYS A 125 -5.687 6.663 5.115 1.00 1.00 H new ATOM 0 HG2 LYS A 125 -7.834 6.115 5.635 1.00 2.40 H new ATOM 0 HG3 LYS A 125 -7.429 4.686 4.704 1.00 2.40 H new ATOM 0 HD2 LYS A 125 -6.676 3.713 7.078 1.00 3.48 H new ATOM 0 HD3 LYS A 125 -7.718 4.973 7.708 1.00 3.48 H new ATOM 0 HE2 LYS A 125 -9.604 4.069 6.284 1.00 4.90 H new ATOM 0 HE3 LYS A 125 -8.553 2.764 5.771 1.00 4.90 H new ATOM 0 HZ1 LYS A 125 -9.821 1.913 7.520 1.00 5.99 H new ATOM 0 HZ2 LYS A 125 -8.306 2.230 8.218 1.00 5.99 H new ATOM 0 HZ3 LYS A 125 -9.605 3.290 8.491 1.00 5.99 H new ATOM 499 N PRO A 126 -3.799 2.477 5.278 1.00 0.53 N ATOM 500 CA PRO A 126 -4.012 1.138 5.807 1.00 0.72 C ATOM 501 C PRO A 126 -4.433 1.283 7.278 1.00 1.07 C ATOM 502 O PRO A 126 -4.525 2.397 7.796 1.00 2.46 O ATOM 503 CB PRO A 126 -2.669 0.434 5.616 1.00 0.93 C ATOM 504 CG PRO A 126 -1.668 1.561 5.883 1.00 0.91 C ATOM 505 CD PRO A 126 -2.383 2.819 5.374 1.00 0.73 C ATOM 0 HA PRO A 126 -4.796 0.560 5.318 1.00 0.72 H new ATOM 0 HB2 PRO A 126 -2.542 -0.396 6.312 1.00 0.93 H new ATOM 0 HB3 PRO A 126 -2.563 0.026 4.611 1.00 0.93 H new ATOM 0 HG2 PRO A 126 -1.428 1.639 6.943 1.00 0.91 H new ATOM 0 HG3 PRO A 126 -0.729 1.394 5.355 1.00 0.91 H new ATOM 0 HD2 PRO A 126 -2.231 3.655 6.056 1.00 0.73 H new ATOM 0 HD3 PRO A 126 -1.990 3.123 4.404 1.00 0.73 H new ATOM 513 N THR A 127 -4.703 0.178 7.971 1.00 0.62 N ATOM 514 CA THR A 127 -4.976 0.116 9.412 1.00 0.63 C ATOM 515 C THR A 127 -4.702 -1.323 9.822 1.00 0.57 C ATOM 516 O THR A 127 -4.772 -2.205 8.976 1.00 0.56 O ATOM 517 CB THR A 127 -6.431 0.507 9.738 1.00 0.71 C ATOM 518 OG1 THR A 127 -6.729 1.736 9.122 1.00 1.08 O ATOM 519 CG2 THR A 127 -6.785 0.651 11.207 1.00 0.85 C ATOM 0 H THR A 127 -4.740 -0.740 7.527 1.00 0.62 H new ATOM 0 HA THR A 127 -4.348 0.822 9.956 1.00 0.63 H new ATOM 0 HB THR A 127 -7.017 -0.333 9.364 1.00 0.71 H new ATOM 0 HG1 THR A 127 -5.897 2.217 8.932 1.00 1.08 H new ATOM 0 HG21 THR A 127 -7.835 0.928 11.303 1.00 0.85 H new ATOM 0 HG22 THR A 127 -6.612 -0.296 11.718 1.00 0.85 H new ATOM 0 HG23 THR A 127 -6.163 1.425 11.657 1.00 0.85 H new ATOM 527 N VAL A 128 -4.398 -1.583 11.082 1.00 0.65 N ATOM 528 CA VAL A 128 -4.066 -2.923 11.594 1.00 0.68 C ATOM 529 C VAL A 128 -5.134 -3.978 11.226 1.00 0.69 C ATOM 530 O VAL A 128 -4.815 -5.093 10.810 1.00 0.83 O ATOM 531 CB VAL A 128 -3.805 -2.868 13.116 1.00 0.79 C ATOM 532 CG1 VAL A 128 -5.008 -2.259 13.848 1.00 0.78 C ATOM 533 CG2 VAL A 128 -3.416 -4.249 13.673 1.00 0.87 C ATOM 0 H VAL A 128 -4.372 -0.860 11.801 1.00 0.65 H new ATOM 0 HA VAL A 128 -3.148 -3.246 11.104 1.00 0.68 H new ATOM 0 HB VAL A 128 -2.951 -2.214 13.294 1.00 0.79 H new ATOM 0 HG11 VAL A 128 -4.805 -2.229 14.919 1.00 0.78 H new ATOM 0 HG12 VAL A 128 -5.182 -1.247 13.483 1.00 0.78 H new ATOM 0 HG13 VAL A 128 -5.893 -2.868 13.663 1.00 0.78 H new ATOM 0 HG21 VAL A 128 -3.240 -4.172 14.746 1.00 0.87 H new ATOM 0 HG22 VAL A 128 -4.224 -4.957 13.488 1.00 0.87 H new ATOM 0 HG23 VAL A 128 -2.508 -4.597 13.180 1.00 0.87 H new ATOM 543 N ASN A 129 -6.409 -3.581 11.300 1.00 0.69 N ATOM 544 CA ASN A 129 -7.580 -4.384 10.936 1.00 0.82 C ATOM 545 C ASN A 129 -7.892 -4.396 9.433 1.00 0.74 C ATOM 546 O ASN A 129 -8.878 -5.008 9.027 1.00 0.92 O ATOM 547 CB ASN A 129 -8.780 -3.901 11.768 1.00 1.02 C ATOM 548 CG ASN A 129 -8.623 -4.270 13.238 1.00 1.32 C ATOM 549 OD1 ASN A 129 -8.603 -5.437 13.598 1.00 1.68 O ATOM 550 ND2 ASN A 129 -8.488 -3.305 14.127 1.00 1.49 N ATOM 0 H ASN A 129 -6.663 -2.650 11.630 1.00 0.69 H new ATOM 0 HA ASN A 129 -7.355 -5.425 11.167 1.00 0.82 H new ATOM 0 HB2 ASN A 129 -8.880 -2.820 11.672 1.00 1.02 H new ATOM 0 HB3 ASN A 129 -9.697 -4.342 11.377 1.00 1.02 H new ATOM 0 HD21 ASN A 129 -8.367 -3.534 15.114 1.00 1.49 H new ATOM 0 HD22 ASN A 129 -8.504 -2.330 13.828 1.00 1.49 H new ATOM 557 N GLU A 130 -7.100 -3.715 8.602 1.00 0.60 N ATOM 558 CA GLU A 130 -7.512 -3.289 7.266 1.00 0.57 C ATOM 559 C GLU A 130 -6.383 -3.370 6.238 1.00 0.50 C ATOM 560 O GLU A 130 -5.274 -3.820 6.517 1.00 0.64 O ATOM 561 CB GLU A 130 -8.071 -1.855 7.310 1.00 0.76 C ATOM 562 CG GLU A 130 -9.118 -1.675 8.410 1.00 0.76 C ATOM 563 CD GLU A 130 -9.775 -0.291 8.333 1.00 1.32 C ATOM 564 OE1 GLU A 130 -10.101 0.179 7.219 1.00 1.91 O ATOM 565 OE2 GLU A 130 -9.815 0.406 9.369 1.00 2.23 O ATOM 0 H GLU A 130 -6.147 -3.442 8.841 1.00 0.60 H new ATOM 0 HA GLU A 130 -8.289 -3.983 6.946 1.00 0.57 H new ATOM 0 HB2 GLU A 130 -7.253 -1.153 7.472 1.00 0.76 H new ATOM 0 HB3 GLU A 130 -8.515 -1.610 6.345 1.00 0.76 H new ATOM 0 HG2 GLU A 130 -9.881 -2.448 8.319 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -8.649 -1.804 9.386 1.00 0.76 H new ATOM 572 N VAL A 131 -6.706 -2.929 5.027 1.00 0.46 N ATOM 573 CA VAL A 131 -5.896 -2.997 3.815 1.00 0.46 C ATOM 574 C VAL A 131 -6.169 -1.761 2.943 1.00 0.55 C ATOM 575 O VAL A 131 -7.245 -1.171 3.044 1.00 0.64 O ATOM 576 CB VAL A 131 -6.181 -4.284 3.020 1.00 0.42 C ATOM 577 CG1 VAL A 131 -5.675 -5.509 3.777 1.00 0.40 C ATOM 578 CG2 VAL A 131 -7.667 -4.457 2.677 1.00 0.41 C ATOM 0 H VAL A 131 -7.606 -2.482 4.854 1.00 0.46 H new ATOM 0 HA VAL A 131 -4.845 -3.014 4.105 1.00 0.46 H new ATOM 0 HB VAL A 131 -5.642 -4.189 2.078 1.00 0.42 H new ATOM 0 HG11 VAL A 131 -5.886 -6.408 3.198 1.00 0.40 H new ATOM 0 HG12 VAL A 131 -4.600 -5.422 3.932 1.00 0.40 H new ATOM 0 HG13 VAL A 131 -6.177 -5.573 4.742 1.00 0.40 H new ATOM 0 HG21 VAL A 131 -7.806 -5.382 2.117 1.00 0.41 H new ATOM 0 HG22 VAL A 131 -8.250 -4.499 3.597 1.00 0.41 H new ATOM 0 HG23 VAL A 131 -8.002 -3.613 2.074 1.00 0.41 H new ATOM 588 N ALA A 132 -5.227 -1.364 2.083 1.00 0.53 N ATOM 589 CA ALA A 132 -5.334 -0.150 1.261 1.00 0.54 C ATOM 590 C ALA A 132 -4.762 -0.357 -0.152 1.00 0.53 C ATOM 591 O ALA A 132 -3.630 -0.816 -0.267 1.00 0.57 O ATOM 592 CB ALA A 132 -4.595 0.964 2.004 1.00 0.67 C ATOM 0 H ALA A 132 -4.359 -1.879 1.935 1.00 0.53 H new ATOM 0 HA ALA A 132 -6.382 0.112 1.118 1.00 0.54 H new ATOM 0 HB1 ALA A 132 -4.651 1.886 1.426 1.00 0.67 H new ATOM 0 HB2 ALA A 132 -5.056 1.119 2.979 1.00 0.67 H new ATOM 0 HB3 ALA A 132 -3.551 0.682 2.137 1.00 0.67 H new ATOM 598 N ARG A 133 -5.513 -0.025 -1.220 1.00 0.54 N ATOM 599 CA ARG A 133 -5.085 -0.234 -2.616 1.00 0.50 C ATOM 600 C ARG A 133 -4.579 1.052 -3.283 1.00 0.58 C ATOM 601 O ARG A 133 -5.256 2.079 -3.229 1.00 0.70 O ATOM 602 CB ARG A 133 -6.206 -0.882 -3.442 1.00 0.51 C ATOM 603 CG ARG A 133 -5.707 -1.272 -4.850 1.00 0.75 C ATOM 604 CD ARG A 133 -6.535 -2.358 -5.542 1.00 1.00 C ATOM 605 NE ARG A 133 -7.956 -1.990 -5.618 1.00 1.76 N ATOM 606 CZ ARG A 133 -8.947 -2.453 -4.867 1.00 3.33 C ATOM 607 NH1 ARG A 133 -8.772 -3.384 -3.950 1.00 4.63 N ATOM 608 NH2 ARG A 133 -10.157 -1.969 -5.040 1.00 4.36 N ATOM 0 H ARG A 133 -6.438 0.398 -1.138 1.00 0.54 H new ATOM 0 HA ARG A 133 -4.238 -0.919 -2.584 1.00 0.50 H new ATOM 0 HB2 ARG A 133 -6.576 -1.768 -2.926 1.00 0.51 H new ATOM 0 HB3 ARG A 133 -7.044 -0.190 -3.529 1.00 0.51 H new ATOM 0 HG2 ARG A 133 -5.702 -0.382 -5.479 1.00 0.75 H new ATOM 0 HG3 ARG A 133 -4.675 -1.614 -4.773 1.00 0.75 H new ATOM 0 HD2 ARG A 133 -6.148 -2.526 -6.547 1.00 1.00 H new ATOM 0 HD3 ARG A 133 -6.430 -3.297 -4.999 1.00 1.00 H new ATOM 0 HE ARG A 133 -8.208 -1.302 -6.327 1.00 1.76 H new ATOM 0 HH11 ARG A 133 -7.844 -3.779 -3.795 1.00 4.63 H new ATOM 0 HH12 ARG A 133 -9.564 -3.709 -3.396 1.00 4.63 H new ATOM 0 HH21 ARG A 133 -10.322 -1.249 -5.743 1.00 4.36 H new ATOM 0 HH22 ARG A 133 -10.930 -2.314 -4.471 1.00 4.36 H new ATOM 622 N CYS A 134 -3.425 0.944 -3.938 1.00 0.55 N ATOM 623 CA CYS A 134 -2.597 2.054 -4.378 1.00 0.73 C ATOM 624 C CYS A 134 -3.112 2.908 -5.557 1.00 1.36 C ATOM 625 O CYS A 134 -2.631 4.020 -5.769 1.00 3.57 O ATOM 626 CB CYS A 134 -1.193 1.454 -4.567 1.00 0.81 C ATOM 627 SG CYS A 134 -0.326 1.847 -6.114 1.00 1.25 S ATOM 0 H CYS A 134 -3.028 0.038 -4.185 1.00 0.55 H new ATOM 0 HA CYS A 134 -2.609 2.836 -3.619 1.00 0.73 H new ATOM 0 HB2 CYS A 134 -0.569 1.785 -3.736 1.00 0.81 H new ATOM 0 HB3 CYS A 134 -1.276 0.370 -4.492 1.00 0.81 H new ATOM 632 N TRP A 135 -4.051 2.355 -6.323 1.00 1.21 N ATOM 633 CA TRP A 135 -4.629 2.869 -7.574 1.00 1.10 C ATOM 634 C TRP A 135 -3.628 3.113 -8.725 1.00 0.97 C ATOM 635 O TRP A 135 -4.068 3.125 -9.866 1.00 1.04 O ATOM 636 CB TRP A 135 -5.559 4.075 -7.316 1.00 1.18 C ATOM 637 CG TRP A 135 -4.938 5.434 -7.160 1.00 1.08 C ATOM 638 CD1 TRP A 135 -4.672 6.052 -5.987 1.00 1.12 C ATOM 639 CD2 TRP A 135 -4.444 6.337 -8.201 1.00 1.07 C ATOM 640 NE1 TRP A 135 -4.054 7.263 -6.227 1.00 1.18 N ATOM 641 CE2 TRP A 135 -3.858 7.476 -7.574 1.00 1.13 C ATOM 642 CE3 TRP A 135 -4.378 6.283 -9.610 1.00 1.10 C ATOM 643 CZ2 TRP A 135 -3.223 8.497 -8.299 1.00 1.22 C ATOM 644 CZ3 TRP A 135 -3.698 7.270 -10.346 1.00 1.16 C ATOM 645 CH2 TRP A 135 -3.130 8.382 -9.698 1.00 1.22 C ATOM 0 H TRP A 135 -4.466 1.459 -6.067 1.00 1.21 H new ATOM 0 HA TRP A 135 -5.239 2.049 -7.953 1.00 1.10 H new ATOM 0 HB2 TRP A 135 -6.271 4.128 -8.140 1.00 1.18 H new ATOM 0 HB3 TRP A 135 -6.132 3.866 -6.412 1.00 1.18 H new ATOM 0 HD1 TRP A 135 -4.908 5.658 -5.010 1.00 1.12 H new ATOM 0 HE1 TRP A 135 -3.777 7.919 -5.497 1.00 1.18 H new ATOM 0 HE3 TRP A 135 -4.858 5.469 -10.132 1.00 1.10 H new ATOM 0 HZ2 TRP A 135 -2.812 9.357 -7.791 1.00 1.22 H new ATOM 0 HZ3 TRP A 135 -3.611 7.173 -11.418 1.00 1.16 H new ATOM 0 HH2 TRP A 135 -2.625 9.144 -10.272 1.00 1.22 H new ATOM 656 N GLU A 136 -2.322 3.255 -8.469 1.00 0.86 N ATOM 657 CA GLU A 136 -1.285 3.481 -9.487 1.00 0.83 C ATOM 658 C GLU A 136 -0.647 2.139 -9.911 1.00 0.89 C ATOM 659 O GLU A 136 -1.148 1.511 -10.839 1.00 1.11 O ATOM 660 CB GLU A 136 -0.235 4.455 -8.941 1.00 0.72 C ATOM 661 CG GLU A 136 -0.568 5.940 -9.096 1.00 0.69 C ATOM 662 CD GLU A 136 -0.066 6.456 -10.444 1.00 0.94 C ATOM 663 OE1 GLU A 136 -0.770 6.253 -11.450 1.00 2.75 O ATOM 664 OE2 GLU A 136 1.081 6.966 -10.479 1.00 1.65 O ATOM 0 H GLU A 136 -1.945 3.215 -7.522 1.00 0.86 H new ATOM 0 HA GLU A 136 -1.736 3.925 -10.375 1.00 0.83 H new ATOM 0 HB2 GLU A 136 -0.085 4.243 -7.882 1.00 0.72 H new ATOM 0 HB3 GLU A 136 0.712 4.259 -9.443 1.00 0.72 H new ATOM 0 HG2 GLU A 136 -1.645 6.088 -9.020 1.00 0.69 H new ATOM 0 HG3 GLU A 136 -0.110 6.509 -8.287 1.00 0.69 H new ATOM 671 N CYS A 137 0.406 1.659 -9.213 1.00 0.83 N ATOM 672 CA CYS A 137 0.919 0.292 -9.335 1.00 0.89 C ATOM 673 C CYS A 137 -0.129 -0.760 -8.898 1.00 0.97 C ATOM 674 O CYS A 137 0.008 -1.951 -9.191 1.00 1.37 O ATOM 675 CB CYS A 137 2.253 0.147 -8.559 1.00 0.87 C ATOM 676 SG CYS A 137 2.249 0.373 -6.746 1.00 0.91 S ATOM 0 H CYS A 137 0.925 2.225 -8.542 1.00 0.83 H new ATOM 0 HA CYS A 137 1.122 0.098 -10.388 1.00 0.89 H new ATOM 0 HB2 CYS A 137 2.648 -0.847 -8.766 1.00 0.87 H new ATOM 0 HB3 CYS A 137 2.958 0.864 -8.979 1.00 0.87 H new ATOM 681 N GLY A 138 -1.153 -0.341 -8.148 1.00 0.68 N ATOM 682 CA GLY A 138 -2.216 -1.197 -7.639 1.00 0.71 C ATOM 683 C GLY A 138 -1.664 -2.322 -6.780 1.00 0.82 C ATOM 684 O GLY A 138 -2.157 -3.454 -6.837 1.00 1.10 O ATOM 0 H GLY A 138 -1.263 0.635 -7.873 1.00 0.68 H new ATOM 0 HA2 GLY A 138 -2.915 -0.601 -7.053 1.00 0.71 H new ATOM 0 HA3 GLY A 138 -2.777 -1.617 -8.474 1.00 0.71 H new ATOM 688 N SER A 139 -0.637 -2.039 -5.968 1.00 0.71 N ATOM 689 CA SER A 139 -0.456 -2.885 -4.794 1.00 0.66 C ATOM 690 C SER A 139 -1.662 -2.733 -3.869 1.00 0.45 C ATOM 691 O SER A 139 -2.416 -1.767 -3.943 1.00 0.81 O ATOM 692 CB SER A 139 0.927 -2.766 -4.125 1.00 0.80 C ATOM 693 OG SER A 139 0.826 -2.727 -2.719 1.00 1.90 O ATOM 0 H SER A 139 0.037 -1.283 -6.091 1.00 0.71 H new ATOM 0 HA SER A 139 -0.434 -3.926 -5.117 1.00 0.66 H new ATOM 0 HB2 SER A 139 1.548 -3.611 -4.422 1.00 0.80 H new ATOM 0 HB3 SER A 139 1.426 -1.864 -4.479 1.00 0.80 H new ATOM 0 HG SER A 139 1.397 -2.011 -2.370 1.00 1.90 H new ATOM 699 N VAL A 140 -1.838 -3.731 -3.017 1.00 0.60 N ATOM 700 CA VAL A 140 -2.640 -3.578 -1.814 1.00 0.40 C ATOM 701 C VAL A 140 -1.642 -3.725 -0.685 1.00 0.36 C ATOM 702 O VAL A 140 -0.772 -4.590 -0.749 1.00 0.51 O ATOM 703 CB VAL A 140 -3.786 -4.606 -1.703 1.00 0.43 C ATOM 704 CG1 VAL A 140 -4.637 -4.391 -0.443 1.00 0.50 C ATOM 705 CG2 VAL A 140 -4.726 -4.539 -2.918 1.00 0.68 C ATOM 0 H VAL A 140 -1.434 -4.660 -3.138 1.00 0.60 H new ATOM 0 HA VAL A 140 -3.157 -2.619 -1.803 1.00 0.40 H new ATOM 0 HB VAL A 140 -3.301 -5.581 -1.655 1.00 0.43 H new ATOM 0 HG11 VAL A 140 -5.430 -5.138 -0.408 1.00 0.50 H new ATOM 0 HG12 VAL A 140 -4.008 -4.488 0.442 1.00 0.50 H new ATOM 0 HG13 VAL A 140 -5.077 -3.394 -0.467 1.00 0.50 H new ATOM 0 HG21 VAL A 140 -5.520 -5.277 -2.805 1.00 0.68 H new ATOM 0 HG22 VAL A 140 -5.163 -3.543 -2.985 1.00 0.68 H new ATOM 0 HG23 VAL A 140 -4.162 -4.750 -3.827 1.00 0.68 H new ATOM 715 N TYR A 141 -1.753 -2.863 0.309 1.00 0.31 N ATOM 716 CA TYR A 141 -0.866 -2.768 1.457 1.00 0.30 C ATOM 717 C TYR A 141 -1.618 -3.113 2.732 1.00 0.31 C ATOM 718 O TYR A 141 -2.753 -2.670 2.917 1.00 0.36 O ATOM 719 CB TYR A 141 -0.346 -1.333 1.555 1.00 0.34 C ATOM 720 CG TYR A 141 0.570 -0.959 0.418 1.00 0.36 C ATOM 721 CD1 TYR A 141 1.938 -1.251 0.537 1.00 1.74 C ATOM 722 CD2 TYR A 141 0.065 -0.375 -0.761 1.00 1.51 C ATOM 723 CE1 TYR A 141 2.814 -0.935 -0.512 1.00 1.75 C ATOM 724 CE2 TYR A 141 0.938 -0.032 -1.804 1.00 1.54 C ATOM 725 CZ TYR A 141 2.322 -0.306 -1.675 1.00 0.50 C ATOM 726 OH TYR A 141 3.170 -0.012 -2.688 1.00 0.65 O ATOM 0 H TYR A 141 -2.504 -2.173 0.340 1.00 0.31 H new ATOM 0 HA TYR A 141 -0.039 -3.467 1.334 1.00 0.30 H new ATOM 0 HB2 TYR A 141 -1.192 -0.646 1.573 1.00 0.34 H new ATOM 0 HB3 TYR A 141 0.186 -1.209 2.498 1.00 0.34 H new ATOM 0 HD1 TYR A 141 2.315 -1.718 1.435 1.00 1.74 H new ATOM 0 HD2 TYR A 141 -0.995 -0.191 -0.862 1.00 1.51 H new ATOM 0 HE1 TYR A 141 3.864 -1.173 -0.429 1.00 1.75 H new ATOM 0 HE2 TYR A 141 0.558 0.438 -2.699 1.00 1.54 H new ATOM 0 HH TYR A 141 2.734 0.608 -3.310 1.00 0.65 H new ATOM 736 N LYS A 142 -0.962 -3.839 3.634 1.00 0.46 N ATOM 737 CA LYS A 142 -1.394 -3.971 5.015 1.00 0.35 C ATOM 738 C LYS A 142 -0.540 -3.136 5.950 1.00 0.35 C ATOM 739 O LYS A 142 0.636 -2.860 5.708 1.00 0.47 O ATOM 740 CB LYS A 142 -1.367 -5.425 5.527 1.00 0.55 C ATOM 741 CG LYS A 142 -2.647 -5.596 6.346 1.00 0.40 C ATOM 742 CD LYS A 142 -2.849 -6.916 7.066 1.00 0.74 C ATOM 743 CE LYS A 142 -4.252 -6.786 7.652 1.00 0.97 C ATOM 744 NZ LYS A 142 -4.880 -8.116 7.821 1.00 2.17 N ATOM 0 H LYS A 142 -0.108 -4.355 3.421 1.00 0.46 H new ATOM 0 HA LYS A 142 -2.425 -3.617 5.017 1.00 0.35 H new ATOM 0 HB2 LYS A 142 -1.335 -6.132 4.698 1.00 0.55 H new ATOM 0 HB3 LYS A 142 -0.483 -5.609 6.138 1.00 0.55 H new ATOM 0 HG2 LYS A 142 -2.679 -4.799 7.089 1.00 0.40 H new ATOM 0 HG3 LYS A 142 -3.496 -5.444 5.679 1.00 0.40 H new ATOM 0 HD2 LYS A 142 -2.775 -7.762 6.383 1.00 0.74 H new ATOM 0 HD3 LYS A 142 -2.101 -7.068 7.844 1.00 0.74 H new ATOM 0 HE2 LYS A 142 -4.202 -6.278 8.615 1.00 0.97 H new ATOM 0 HE3 LYS A 142 -4.868 -6.169 6.998 1.00 0.97 H new ATOM 0 HZ1 LYS A 142 -5.873 -7.997 8.108 1.00 2.17 H new ATOM 0 HZ2 LYS A 142 -4.839 -8.636 6.921 1.00 2.17 H new ATOM 0 HZ3 LYS A 142 -4.370 -8.650 8.553 1.00 2.17 H new ATOM 758 N LEU A 143 -1.162 -2.823 7.074 1.00 0.39 N ATOM 759 CA LEU A 143 -0.470 -2.473 8.296 1.00 0.45 C ATOM 760 C LEU A 143 -0.431 -3.670 9.242 1.00 0.47 C ATOM 761 O LEU A 143 -1.274 -4.563 9.182 1.00 0.59 O ATOM 762 CB LEU A 143 -1.199 -1.271 8.861 1.00 0.51 C ATOM 763 CG LEU A 143 -0.524 -0.597 10.060 1.00 0.63 C ATOM 764 CD1 LEU A 143 -0.935 0.856 9.941 1.00 0.52 C ATOM 765 CD2 LEU A 143 -1.020 -1.099 11.416 1.00 0.93 C ATOM 0 H LEU A 143 -2.178 -2.806 7.161 1.00 0.39 H new ATOM 0 HA LEU A 143 0.575 -2.212 8.130 1.00 0.45 H new ATOM 0 HB2 LEU A 143 -1.315 -0.532 8.068 1.00 0.51 H new ATOM 0 HB3 LEU A 143 -2.201 -1.581 9.157 1.00 0.51 H new ATOM 0 HG LEU A 143 0.548 -0.794 10.033 1.00 0.63 H new ATOM 0 HD11 LEU A 143 -0.498 1.426 10.761 1.00 0.52 H new ATOM 0 HD12 LEU A 143 -0.582 1.257 8.991 1.00 0.52 H new ATOM 0 HD13 LEU A 143 -2.021 0.932 9.985 1.00 0.52 H new ATOM 0 HD21 LEU A 143 -0.494 -0.573 12.213 1.00 0.93 H new ATOM 0 HD22 LEU A 143 -2.090 -0.913 11.503 1.00 0.93 H new ATOM 0 HD23 LEU A 143 -0.830 -2.169 11.500 1.00 0.93 H new ATOM 777 N ASN A 144 0.569 -3.671 10.106 1.00 0.51 N ATOM 778 CA ASN A 144 0.818 -4.746 11.079 1.00 0.59 C ATOM 779 C ASN A 144 0.530 -4.325 12.545 1.00 0.73 C ATOM 780 O ASN A 144 0.619 -3.149 12.870 1.00 0.78 O ATOM 781 CB ASN A 144 2.255 -5.272 10.876 1.00 0.63 C ATOM 782 CG ASN A 144 3.282 -4.218 10.526 1.00 0.81 C ATOM 783 OD1 ASN A 144 3.190 -3.081 10.941 1.00 1.28 O ATOM 784 ND2 ASN A 144 4.296 -4.609 9.788 1.00 0.95 N ATOM 0 H ASN A 144 1.250 -2.914 10.160 1.00 0.51 H new ATOM 0 HA ASN A 144 0.112 -5.556 10.893 1.00 0.59 H new ATOM 0 HB2 ASN A 144 2.572 -5.777 11.788 1.00 0.63 H new ATOM 0 HB3 ASN A 144 2.242 -6.021 10.085 1.00 0.63 H new ATOM 0 HD21 ASN A 144 5.036 -3.950 9.548 1.00 0.95 H new ATOM 0 HD22 ASN A 144 4.343 -5.572 9.455 1.00 0.95 H new ATOM 791 N PRO A 145 0.247 -5.271 13.471 1.00 0.91 N ATOM 792 CA PRO A 145 -0.134 -5.033 14.886 1.00 1.12 C ATOM 793 C PRO A 145 0.978 -4.491 15.798 1.00 1.11 C ATOM 794 O PRO A 145 0.802 -4.323 17.001 1.00 1.55 O ATOM 795 CB PRO A 145 -0.487 -6.421 15.420 1.00 1.37 C ATOM 796 CG PRO A 145 0.509 -7.275 14.650 1.00 1.28 C ATOM 797 CD PRO A 145 0.332 -6.705 13.253 1.00 1.06 C ATOM 0 HA PRO A 145 -0.922 -4.280 14.897 1.00 1.12 H new ATOM 0 HB2 PRO A 145 -0.351 -6.497 16.499 1.00 1.37 H new ATOM 0 HB3 PRO A 145 -1.520 -6.696 15.208 1.00 1.37 H new ATOM 0 HG2 PRO A 145 1.528 -7.160 15.020 1.00 1.28 H new ATOM 0 HG3 PRO A 145 0.270 -8.337 14.699 1.00 1.28 H new ATOM 0 HD2 PRO A 145 1.171 -6.962 12.607 1.00 1.06 H new ATOM 0 HD3 PRO A 145 -0.568 -7.091 12.775 1.00 1.06 H new ATOM 805 N VAL A 146 2.157 -4.350 15.223 1.00 0.82 N ATOM 806 CA VAL A 146 3.388 -3.822 15.802 1.00 0.81 C ATOM 807 C VAL A 146 3.162 -2.539 16.642 1.00 1.15 C ATOM 808 O VAL A 146 2.256 -1.760 16.353 1.00 1.81 O ATOM 809 CB VAL A 146 4.404 -3.610 14.664 1.00 0.94 C ATOM 810 CG1 VAL A 146 3.988 -2.429 13.800 1.00 0.86 C ATOM 811 CG2 VAL A 146 5.851 -3.540 15.154 1.00 1.88 C ATOM 0 H VAL A 146 2.295 -4.626 14.251 1.00 0.82 H new ATOM 0 HA VAL A 146 3.784 -4.546 16.514 1.00 0.81 H new ATOM 0 HB VAL A 146 4.387 -4.495 14.028 1.00 0.94 H new ATOM 0 HG11 VAL A 146 4.715 -2.290 12.999 1.00 0.86 H new ATOM 0 HG12 VAL A 146 3.006 -2.622 13.369 1.00 0.86 H new ATOM 0 HG13 VAL A 146 3.945 -1.528 14.412 1.00 0.86 H new ATOM 0 HG21 VAL A 146 6.516 -3.390 14.304 1.00 1.88 H new ATOM 0 HG22 VAL A 146 5.959 -2.709 15.851 1.00 1.88 H new ATOM 0 HG23 VAL A 146 6.110 -4.472 15.657 1.00 1.88 H new ATOM 821 N GLY A 147 4.018 -2.281 17.643 1.00 1.14 N ATOM 822 CA GLY A 147 4.009 -1.100 18.498 1.00 1.34 C ATOM 823 C GLY A 147 5.432 -0.661 18.823 1.00 1.60 C ATOM 824 O GLY A 147 6.361 -1.460 18.863 1.00 1.61 O ATOM 0 H GLY A 147 4.770 -2.927 17.884 1.00 1.14 H new ATOM 0 HA2 GLY A 147 3.477 -0.289 18.001 1.00 1.34 H new ATOM 0 HA3 GLY A 147 3.470 -1.316 19.420 1.00 1.34 H new TER 828 GLY A 147 HETATM 829 ZN ZN A 156 1.940 2.574 -5.987 1.00 0.58 ZN