USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 437 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 141 HIS HD1 : A 141 HIS ND1 : A 191 ZNZN :(H bumps) USER MOD Set 1.1: A 162 LYS NZ :NH3+ -105:sc= 1.36 (180deg=-0.126) USER MOD Set 1.2: A 172 TYR OH : rot -77:sc= 1.42 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 128 TYR OH : rot -125:sc= 1.29 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 158:sc= -0.909 (180deg=-1.61) USER MOD Single : A 138 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.133) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000104) USER MOD Single : A 153 SER OG : rot 150:sc= -1.33 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 ASN :FLIP amide:sc= -0.197 F(o=-1.1,f=-0.2) USER MOD Single : A 160 THR OG1 : rot 148:sc= 1.46 USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ -166:sc= -0.0556 (180deg=-0.31) USER MOD Single : A 174 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0908) USER MOD Single : A 175 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 13.170 3.693 0.016 1.00 0.89 N ATOM 2 CA LYS A 119 13.682 2.397 -0.421 1.00 0.80 C ATOM 3 C LYS A 119 12.652 1.286 -0.238 1.00 0.78 C ATOM 4 O LYS A 119 11.906 1.279 0.739 1.00 0.90 O ATOM 5 CB LYS A 119 14.958 2.049 0.352 1.00 0.93 C ATOM 6 CG LYS A 119 16.134 2.942 -0.004 1.00 1.51 C ATOM 7 CD LYS A 119 17.353 2.657 0.847 1.00 1.54 C ATOM 8 CE LYS A 119 17.905 1.262 0.604 1.00 2.16 C ATOM 9 NZ LYS A 119 19.120 1.004 1.420 1.00 2.76 N ATOM 0 HA LYS A 119 13.904 2.475 -1.485 1.00 0.80 H new ATOM 0 HB2 LYS A 119 14.761 2.128 1.421 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.225 1.011 0.153 1.00 0.93 H new ATOM 0 HG2 LYS A 119 16.387 2.803 -1.055 1.00 1.51 H new ATOM 0 HG3 LYS A 119 15.844 3.986 0.119 1.00 1.51 H new ATOM 0 HD2 LYS A 119 18.126 3.395 0.632 1.00 1.54 H new ATOM 0 HD3 LYS A 119 17.093 2.765 1.900 1.00 1.54 H new ATOM 0 HE2 LYS A 119 17.142 0.521 0.843 1.00 2.16 H new ATOM 0 HE3 LYS A 119 18.144 1.144 -0.453 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 19.469 0.043 1.229 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 19.857 1.696 1.174 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 18.886 1.092 2.429 1.00 2.76 H new ATOM 23 N CYS A 120 12.618 0.365 -1.201 1.00 0.70 N ATOM 24 CA CYS A 120 11.848 -0.865 -1.083 1.00 0.72 C ATOM 25 C CYS A 120 12.489 -1.738 -0.016 1.00 0.76 C ATOM 26 O CYS A 120 13.629 -2.183 -0.182 1.00 0.80 O ATOM 27 CB CYS A 120 11.811 -1.609 -2.434 1.00 0.67 C ATOM 28 SG CYS A 120 11.080 -3.287 -2.385 1.00 0.74 S ATOM 0 H CYS A 120 13.124 0.454 -2.082 1.00 0.70 H new ATOM 0 HA CYS A 120 10.822 -0.631 -0.801 1.00 0.72 H new ATOM 0 HB2 CYS A 120 11.248 -1.006 -3.146 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.829 -1.685 -2.816 1.00 0.67 H new ATOM 33 N PRO A 121 11.782 -1.976 1.098 1.00 0.79 N ATOM 34 CA PRO A 121 12.302 -2.772 2.213 1.00 0.87 C ATOM 35 C PRO A 121 12.343 -4.262 1.892 1.00 0.90 C ATOM 36 O PRO A 121 12.782 -5.076 2.708 1.00 1.00 O ATOM 37 CB PRO A 121 11.314 -2.493 3.344 1.00 0.96 C ATOM 38 CG PRO A 121 10.042 -2.134 2.661 1.00 1.00 C ATOM 39 CD PRO A 121 10.424 -1.465 1.368 1.00 0.82 C ATOM 0 HA PRO A 121 13.331 -2.507 2.457 1.00 0.87 H new ATOM 0 HB2 PRO A 121 11.187 -3.367 3.982 1.00 0.96 H new ATOM 0 HB3 PRO A 121 11.663 -1.681 3.982 1.00 0.96 H new ATOM 0 HG2 PRO A 121 9.438 -3.022 2.474 1.00 1.00 H new ATOM 0 HG3 PRO A 121 9.444 -1.466 3.281 1.00 1.00 H new ATOM 0 HD2 PRO A 121 9.733 -1.721 0.565 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.416 -0.379 1.461 1.00 0.82 H new ATOM 47 N ARG A 122 11.880 -4.614 0.704 1.00 0.86 N ATOM 48 CA ARG A 122 11.923 -5.991 0.249 1.00 0.94 C ATOM 49 C ARG A 122 13.254 -6.267 -0.429 1.00 0.90 C ATOM 50 O ARG A 122 13.893 -7.287 -0.172 1.00 1.05 O ATOM 51 CB ARG A 122 10.773 -6.275 -0.722 1.00 0.98 C ATOM 52 CG ARG A 122 9.399 -6.184 -0.083 1.00 0.97 C ATOM 53 CD ARG A 122 9.178 -7.312 0.908 1.00 1.11 C ATOM 54 NE ARG A 122 7.966 -7.113 1.700 1.00 1.54 N ATOM 55 CZ ARG A 122 6.881 -7.886 1.623 1.00 1.95 C ATOM 56 NH1 ARG A 122 6.819 -8.889 0.755 1.00 2.03 N ATOM 57 NH2 ARG A 122 5.851 -7.652 2.418 1.00 2.82 N ATOM 0 H ARG A 122 11.469 -3.962 0.036 1.00 0.86 H new ATOM 0 HA ARG A 122 11.815 -6.647 1.113 1.00 0.94 H new ATOM 0 HB2 ARG A 122 10.826 -5.569 -1.551 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.903 -7.272 -1.144 1.00 0.98 H new ATOM 0 HG2 ARG A 122 9.294 -5.225 0.424 1.00 0.97 H new ATOM 0 HG3 ARG A 122 8.632 -6.221 -0.857 1.00 0.97 H new ATOM 0 HD2 ARG A 122 9.110 -8.258 0.371 1.00 1.11 H new ATOM 0 HD3 ARG A 122 10.038 -7.384 1.573 1.00 1.11 H new ATOM 0 HE ARG A 122 7.948 -6.331 2.355 1.00 1.54 H new ATOM 0 HH11 ARG A 122 7.607 -9.077 0.136 1.00 2.03 H new ATOM 0 HH12 ARG A 122 5.983 -9.471 0.708 1.00 2.03 H new ATOM 0 HH21 ARG A 122 5.888 -6.883 3.087 1.00 2.82 H new ATOM 0 HH22 ARG A 122 5.020 -8.240 2.362 1.00 2.82 H new ATOM 71 N CYS A 123 13.677 -5.334 -1.269 1.00 0.76 N ATOM 72 CA CYS A 123 14.893 -5.496 -2.042 1.00 0.78 C ATOM 73 C CYS A 123 16.042 -4.680 -1.458 1.00 0.76 C ATOM 74 O CYS A 123 17.206 -4.888 -1.800 1.00 0.86 O ATOM 75 CB CYS A 123 14.629 -5.077 -3.485 1.00 0.77 C ATOM 76 SG CYS A 123 13.166 -5.890 -4.203 1.00 0.88 S ATOM 0 H CYS A 123 13.190 -4.452 -1.431 1.00 0.76 H new ATOM 0 HA CYS A 123 15.187 -6.545 -2.008 1.00 0.78 H new ATOM 0 HB2 CYS A 123 14.494 -3.996 -3.525 1.00 0.77 H new ATOM 0 HB3 CYS A 123 15.503 -5.312 -4.092 1.00 0.77 H new ATOM 81 N GLY A 124 15.698 -3.754 -0.574 1.00 0.70 N ATOM 82 CA GLY A 124 16.685 -2.865 -0.003 1.00 0.73 C ATOM 83 C GLY A 124 17.208 -1.893 -1.035 1.00 0.71 C ATOM 84 O GLY A 124 18.388 -1.546 -1.032 1.00 0.85 O ATOM 0 H GLY A 124 14.746 -3.603 -0.241 1.00 0.70 H new ATOM 0 HA2 GLY A 124 16.245 -2.315 0.828 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.512 -3.448 0.403 1.00 0.73 H new ATOM 88 N LYS A 125 16.325 -1.443 -1.916 1.00 0.61 N ATOM 89 CA LYS A 125 16.733 -0.615 -3.050 1.00 0.61 C ATOM 90 C LYS A 125 15.851 0.619 -3.174 1.00 0.57 C ATOM 91 O LYS A 125 14.632 0.532 -3.052 1.00 0.60 O ATOM 92 CB LYS A 125 16.684 -1.430 -4.348 1.00 0.63 C ATOM 93 CG LYS A 125 17.643 -2.610 -4.359 1.00 1.30 C ATOM 94 CD LYS A 125 17.640 -3.333 -5.695 1.00 1.71 C ATOM 95 CE LYS A 125 18.610 -4.502 -5.678 1.00 2.44 C ATOM 96 NZ LYS A 125 18.713 -5.170 -7.001 1.00 2.99 N ATOM 0 H LYS A 125 15.324 -1.635 -1.871 1.00 0.61 H new ATOM 0 HA LYS A 125 17.757 -0.285 -2.875 1.00 0.61 H new ATOM 0 HB2 LYS A 125 15.669 -1.796 -4.500 1.00 0.63 H new ATOM 0 HB3 LYS A 125 16.916 -0.775 -5.188 1.00 0.63 H new ATOM 0 HG2 LYS A 125 18.651 -2.260 -4.139 1.00 1.30 H new ATOM 0 HG3 LYS A 125 17.368 -3.308 -3.568 1.00 1.30 H new ATOM 0 HD2 LYS A 125 16.635 -3.692 -5.917 1.00 1.71 H new ATOM 0 HD3 LYS A 125 17.914 -2.639 -6.490 1.00 1.71 H new ATOM 0 HE2 LYS A 125 19.595 -4.149 -5.374 1.00 2.44 H new ATOM 0 HE3 LYS A 125 18.287 -5.228 -4.931 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 19.386 -5.961 -6.939 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 17.779 -5.532 -7.281 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 19.046 -4.486 -7.710 1.00 2.99 H new ATOM 110 N SER A 126 16.487 1.760 -3.409 1.00 0.66 N ATOM 111 CA SER A 126 15.796 3.040 -3.516 1.00 0.68 C ATOM 112 C SER A 126 14.787 3.035 -4.661 1.00 0.57 C ATOM 113 O SER A 126 15.082 2.553 -5.758 1.00 0.66 O ATOM 114 CB SER A 126 16.826 4.144 -3.734 1.00 0.89 C ATOM 115 OG SER A 126 17.921 3.987 -2.846 1.00 1.37 O ATOM 0 H SER A 126 17.498 1.825 -3.531 1.00 0.66 H new ATOM 0 HA SER A 126 15.246 3.217 -2.592 1.00 0.68 H new ATOM 0 HB2 SER A 126 17.180 4.120 -4.765 1.00 0.89 H new ATOM 0 HB3 SER A 126 16.362 5.118 -3.579 1.00 0.89 H new ATOM 0 HG SER A 126 18.573 4.702 -3.001 1.00 1.37 H new ATOM 121 N VAL A 127 13.601 3.576 -4.404 1.00 0.52 N ATOM 122 CA VAL A 127 12.537 3.587 -5.396 1.00 0.45 C ATOM 123 C VAL A 127 12.172 5.013 -5.801 1.00 0.58 C ATOM 124 O VAL A 127 11.844 5.852 -4.963 1.00 0.80 O ATOM 125 CB VAL A 127 11.269 2.869 -4.889 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.197 2.829 -5.970 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.595 1.464 -4.418 1.00 0.71 C ATOM 0 H VAL A 127 13.354 4.012 -3.516 1.00 0.52 H new ATOM 0 HA VAL A 127 12.921 3.050 -6.264 1.00 0.45 H new ATOM 0 HB VAL A 127 10.882 3.435 -4.042 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.314 2.318 -5.588 1.00 0.63 H new ATOM 0 HG12 VAL A 127 9.932 3.846 -6.257 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.578 2.294 -6.840 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.685 0.978 -4.065 1.00 0.71 H new ATOM 0 HG22 VAL A 127 12.015 0.891 -5.245 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.319 1.512 -3.605 1.00 0.71 H new ATOM 137 N TYR A 128 12.245 5.261 -7.097 1.00 0.60 N ATOM 138 CA TYR A 128 11.875 6.546 -7.677 1.00 0.78 C ATOM 139 C TYR A 128 10.351 6.717 -7.674 1.00 0.58 C ATOM 140 O TYR A 128 9.601 5.750 -7.534 1.00 0.48 O ATOM 141 CB TYR A 128 12.418 6.625 -9.104 1.00 1.14 C ATOM 142 CG TYR A 128 11.940 5.485 -9.968 1.00 2.06 C ATOM 143 CD1 TYR A 128 10.747 5.583 -10.657 1.00 2.76 C ATOM 144 CD2 TYR A 128 12.665 4.306 -10.070 1.00 2.80 C ATOM 145 CE1 TYR A 128 10.282 4.545 -11.426 1.00 3.69 C ATOM 146 CE2 TYR A 128 12.203 3.255 -10.839 1.00 3.75 C ATOM 147 CZ TYR A 128 11.009 3.380 -11.517 1.00 4.06 C ATOM 148 OH TYR A 128 10.541 2.340 -12.291 1.00 5.08 O ATOM 0 H TYR A 128 12.564 4.576 -7.782 1.00 0.60 H new ATOM 0 HA TYR A 128 12.306 7.350 -7.080 1.00 0.78 H new ATOM 0 HB2 TYR A 128 12.113 7.570 -9.554 1.00 1.14 H new ATOM 0 HB3 TYR A 128 13.508 6.623 -9.075 1.00 1.14 H new ATOM 0 HD1 TYR A 128 10.169 6.493 -10.590 1.00 2.76 H new ATOM 0 HD2 TYR A 128 13.602 4.209 -9.542 1.00 2.80 H new ATOM 0 HE1 TYR A 128 9.347 4.643 -11.958 1.00 3.69 H new ATOM 0 HE2 TYR A 128 12.774 2.341 -10.909 1.00 3.75 H new ATOM 0 HH TYR A 128 10.485 1.527 -11.747 1.00 5.08 H new ATOM 158 N ALA A 129 9.906 7.956 -7.866 1.00 0.69 N ATOM 159 CA ALA A 129 8.503 8.330 -7.680 1.00 0.74 C ATOM 160 C ALA A 129 7.573 7.777 -8.763 1.00 0.75 C ATOM 161 O ALA A 129 6.359 7.739 -8.571 1.00 0.87 O ATOM 162 CB ALA A 129 8.372 9.842 -7.610 1.00 0.95 C ATOM 0 H ALA A 129 10.505 8.729 -8.154 1.00 0.69 H new ATOM 0 HA ALA A 129 8.187 7.879 -6.739 1.00 0.74 H new ATOM 0 HB1 ALA A 129 7.325 10.110 -7.472 1.00 0.95 H new ATOM 0 HB2 ALA A 129 8.957 10.219 -6.772 1.00 0.95 H new ATOM 0 HB3 ALA A 129 8.740 10.282 -8.537 1.00 0.95 H new ATOM 168 N ALA A 130 8.128 7.352 -9.893 1.00 0.80 N ATOM 169 CA ALA A 130 7.309 6.859 -11.004 1.00 1.00 C ATOM 170 C ALA A 130 6.852 5.413 -10.778 1.00 0.91 C ATOM 171 O ALA A 130 5.943 4.933 -11.455 1.00 1.16 O ATOM 172 CB ALA A 130 8.060 6.978 -12.323 1.00 1.21 C ATOM 0 H ALA A 130 9.133 7.337 -10.067 1.00 0.80 H new ATOM 0 HA ALA A 130 6.417 7.484 -11.050 1.00 1.00 H new ATOM 0 HB1 ALA A 130 7.433 6.606 -13.133 1.00 1.21 H new ATOM 0 HB2 ALA A 130 8.309 8.023 -12.507 1.00 1.21 H new ATOM 0 HB3 ALA A 130 8.976 6.390 -12.274 1.00 1.21 H new ATOM 178 N GLU A 131 7.489 4.723 -9.841 1.00 0.68 N ATOM 179 CA GLU A 131 7.079 3.368 -9.479 1.00 0.65 C ATOM 180 C GLU A 131 6.676 3.349 -8.015 1.00 0.46 C ATOM 181 O GLU A 131 6.319 2.314 -7.459 1.00 0.50 O ATOM 182 CB GLU A 131 8.216 2.371 -9.701 1.00 0.87 C ATOM 183 CG GLU A 131 7.735 1.005 -10.147 1.00 1.41 C ATOM 184 CD GLU A 131 8.850 -0.012 -10.227 1.00 1.70 C ATOM 185 OE1 GLU A 131 9.712 0.127 -11.116 1.00 2.44 O ATOM 186 OE2 GLU A 131 8.873 -0.951 -9.400 1.00 1.99 O ATOM 0 H GLU A 131 8.290 5.076 -9.318 1.00 0.68 H new ATOM 0 HA GLU A 131 6.239 3.078 -10.111 1.00 0.65 H new ATOM 0 HB2 GLU A 131 8.900 2.771 -10.450 1.00 0.87 H new ATOM 0 HB3 GLU A 131 8.783 2.265 -8.776 1.00 0.87 H new ATOM 0 HG2 GLU A 131 6.974 0.649 -9.453 1.00 1.41 H new ATOM 0 HG3 GLU A 131 7.260 1.094 -11.124 1.00 1.41 H new ATOM 193 N LYS A 132 6.737 4.525 -7.414 1.00 0.44 N ATOM 194 CA LYS A 132 6.534 4.694 -5.991 1.00 0.42 C ATOM 195 C LYS A 132 5.090 4.424 -5.567 1.00 0.44 C ATOM 196 O LYS A 132 4.227 5.302 -5.628 1.00 0.58 O ATOM 197 CB LYS A 132 6.961 6.108 -5.594 1.00 0.55 C ATOM 198 CG LYS A 132 6.662 6.465 -4.150 1.00 0.65 C ATOM 199 CD LYS A 132 7.122 7.875 -3.813 1.00 1.05 C ATOM 200 CE LYS A 132 8.638 7.996 -3.850 1.00 1.58 C ATOM 201 NZ LYS A 132 9.106 9.278 -3.267 1.00 2.18 N ATOM 0 H LYS A 132 6.931 5.396 -7.908 1.00 0.44 H new ATOM 0 HA LYS A 132 7.146 3.958 -5.470 1.00 0.42 H new ATOM 0 HB2 LYS A 132 8.032 6.215 -5.769 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.459 6.824 -6.245 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.591 6.378 -3.968 1.00 0.65 H new ATOM 0 HG3 LYS A 132 7.156 5.753 -3.489 1.00 0.65 H new ATOM 0 HD2 LYS A 132 6.683 8.580 -4.520 1.00 1.05 H new ATOM 0 HD3 LYS A 132 6.759 8.149 -2.822 1.00 1.05 H new ATOM 0 HE2 LYS A 132 9.082 7.165 -3.302 1.00 1.58 H new ATOM 0 HE3 LYS A 132 8.983 7.919 -4.881 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 10.144 9.321 -3.311 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 8.703 10.072 -3.805 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 8.799 9.341 -2.275 1.00 2.18 H new ATOM 215 N VAL A 133 4.839 3.195 -5.151 1.00 0.39 N ATOM 216 CA VAL A 133 3.597 2.845 -4.485 1.00 0.44 C ATOM 217 C VAL A 133 3.798 2.976 -2.981 1.00 0.44 C ATOM 218 O VAL A 133 4.407 2.120 -2.343 1.00 0.50 O ATOM 219 CB VAL A 133 3.117 1.427 -4.856 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.258 1.474 -6.111 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.292 0.492 -5.076 1.00 0.88 C ATOM 0 H VAL A 133 5.487 2.415 -5.265 1.00 0.39 H new ATOM 0 HA VAL A 133 2.816 3.529 -4.818 1.00 0.44 H new ATOM 0 HB VAL A 133 2.523 1.046 -4.025 1.00 0.49 H new ATOM 0 HG11 VAL A 133 1.926 0.467 -6.362 1.00 1.02 H new ATOM 0 HG12 VAL A 133 1.390 2.109 -5.934 1.00 1.02 H new ATOM 0 HG13 VAL A 133 2.842 1.880 -6.937 1.00 1.02 H new ATOM 0 HG21 VAL A 133 3.924 -0.500 -5.336 1.00 0.88 H new ATOM 0 HG22 VAL A 133 4.913 0.873 -5.887 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.885 0.431 -4.163 1.00 0.88 H new ATOM 231 N MET A 134 3.310 4.084 -2.437 1.00 0.54 N ATOM 232 CA MET A 134 3.591 4.478 -1.058 1.00 0.60 C ATOM 233 C MET A 134 2.921 3.563 -0.037 1.00 0.57 C ATOM 234 O MET A 134 1.787 3.806 0.375 1.00 0.75 O ATOM 235 CB MET A 134 3.133 5.923 -0.827 1.00 0.83 C ATOM 236 CG MET A 134 3.919 6.953 -1.622 1.00 1.14 C ATOM 237 SD MET A 134 5.523 7.329 -0.893 1.00 1.65 S ATOM 238 CE MET A 134 5.018 8.266 0.547 1.00 1.78 C ATOM 0 H MET A 134 2.707 4.737 -2.938 1.00 0.54 H new ATOM 0 HA MET A 134 4.668 4.393 -0.915 1.00 0.60 H new ATOM 0 HB2 MET A 134 2.078 6.005 -1.088 1.00 0.83 H new ATOM 0 HB3 MET A 134 3.218 6.155 0.234 1.00 0.83 H new ATOM 0 HG2 MET A 134 4.065 6.586 -2.638 1.00 1.14 H new ATOM 0 HG3 MET A 134 3.335 7.870 -1.695 1.00 1.14 H new ATOM 0 HE1 MET A 134 5.811 8.241 1.294 1.00 1.78 H new ATOM 0 HE2 MET A 134 4.824 9.299 0.259 1.00 1.78 H new ATOM 0 HE3 MET A 134 4.111 7.829 0.966 1.00 1.78 H new ATOM 248 N GLY A 135 3.616 2.508 0.362 1.00 0.50 N ATOM 249 CA GLY A 135 3.151 1.707 1.471 1.00 0.61 C ATOM 250 C GLY A 135 3.731 2.192 2.783 1.00 0.70 C ATOM 251 O GLY A 135 4.928 2.044 3.031 1.00 0.77 O ATOM 0 H GLY A 135 4.490 2.195 -0.061 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.063 1.743 1.517 1.00 0.61 H new ATOM 0 HA3 GLY A 135 3.429 0.665 1.311 1.00 0.61 H new ATOM 255 N GLY A 136 2.895 2.820 3.600 1.00 0.85 N ATOM 256 CA GLY A 136 3.326 3.259 4.914 1.00 1.03 C ATOM 257 C GLY A 136 4.279 4.435 4.860 1.00 1.08 C ATOM 258 O GLY A 136 5.022 4.683 5.813 1.00 1.72 O ATOM 0 H GLY A 136 1.923 3.034 3.376 1.00 0.85 H new ATOM 0 HA2 GLY A 136 2.452 3.533 5.505 1.00 1.03 H new ATOM 0 HA3 GLY A 136 3.810 2.429 5.428 1.00 1.03 H new ATOM 262 N GLY A 137 4.252 5.162 3.750 1.00 0.94 N ATOM 263 CA GLY A 137 5.115 6.316 3.597 1.00 0.98 C ATOM 264 C GLY A 137 6.412 5.995 2.880 1.00 0.87 C ATOM 265 O GLY A 137 7.325 6.822 2.833 1.00 1.04 O ATOM 0 H GLY A 137 3.646 4.972 2.952 1.00 0.94 H new ATOM 0 HA2 GLY A 137 4.583 7.090 3.044 1.00 0.98 H new ATOM 0 HA3 GLY A 137 5.342 6.726 4.581 1.00 0.98 H new ATOM 269 N LYS A 138 6.513 4.792 2.329 1.00 0.71 N ATOM 270 CA LYS A 138 7.718 4.397 1.610 1.00 0.71 C ATOM 271 C LYS A 138 7.407 4.040 0.166 1.00 0.53 C ATOM 272 O LYS A 138 6.388 3.418 -0.118 1.00 0.52 O ATOM 273 CB LYS A 138 8.404 3.204 2.290 1.00 0.92 C ATOM 274 CG LYS A 138 9.036 3.540 3.632 1.00 1.15 C ATOM 275 CD LYS A 138 8.014 3.549 4.754 1.00 1.46 C ATOM 276 CE LYS A 138 8.359 4.584 5.804 1.00 2.11 C ATOM 277 NZ LYS A 138 9.750 4.442 6.292 1.00 2.69 N ATOM 0 H LYS A 138 5.784 4.080 2.365 1.00 0.71 H new ATOM 0 HA LYS A 138 8.393 5.253 1.626 1.00 0.71 H new ATOM 0 HB2 LYS A 138 7.672 2.409 2.433 1.00 0.92 H new ATOM 0 HB3 LYS A 138 9.174 2.812 1.625 1.00 0.92 H new ATOM 0 HG2 LYS A 138 9.816 2.813 3.858 1.00 1.15 H new ATOM 0 HG3 LYS A 138 9.518 4.516 3.572 1.00 1.15 H new ATOM 0 HD2 LYS A 138 7.025 3.757 4.346 1.00 1.46 H new ATOM 0 HD3 LYS A 138 7.968 2.562 5.214 1.00 1.46 H new ATOM 0 HE2 LYS A 138 8.222 5.582 5.387 1.00 2.11 H new ATOM 0 HE3 LYS A 138 7.670 4.492 6.643 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 9.886 5.040 7.132 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 9.931 3.449 6.541 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 10.412 4.738 5.546 1.00 2.69 H new ATOM 291 N PRO A 139 8.252 4.489 -0.772 1.00 0.51 N ATOM 292 CA PRO A 139 8.239 4.006 -2.151 1.00 0.46 C ATOM 293 C PRO A 139 8.552 2.522 -2.233 1.00 0.39 C ATOM 294 O PRO A 139 9.681 2.099 -1.987 1.00 0.51 O ATOM 295 CB PRO A 139 9.355 4.807 -2.832 1.00 0.60 C ATOM 296 CG PRO A 139 10.199 5.303 -1.715 1.00 0.72 C ATOM 297 CD PRO A 139 9.247 5.553 -0.590 1.00 0.63 C ATOM 0 HA PRO A 139 7.260 4.135 -2.613 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.930 4.182 -3.516 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.949 5.632 -3.418 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.955 4.569 -1.436 1.00 0.72 H new ATOM 0 HG3 PRO A 139 10.727 6.215 -1.995 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.739 5.486 0.380 1.00 0.63 H new ATOM 0 HD3 PRO A 139 8.797 6.544 -0.652 1.00 0.63 H new ATOM 305 N TRP A 140 7.550 1.738 -2.556 1.00 0.34 N ATOM 306 CA TRP A 140 7.744 0.324 -2.802 1.00 0.33 C ATOM 307 C TRP A 140 7.848 0.097 -4.299 1.00 0.31 C ATOM 308 O TRP A 140 7.382 0.923 -5.083 1.00 0.38 O ATOM 309 CB TRP A 140 6.571 -0.477 -2.234 1.00 0.40 C ATOM 310 CG TRP A 140 6.506 -0.495 -0.733 1.00 0.44 C ATOM 311 CD1 TRP A 140 6.309 0.562 0.100 1.00 0.54 C ATOM 312 CD2 TRP A 140 6.629 -1.641 0.104 1.00 0.51 C ATOM 313 NE1 TRP A 140 6.305 0.142 1.408 1.00 0.61 N ATOM 314 CE2 TRP A 140 6.501 -1.210 1.436 1.00 0.58 C ATOM 315 CE3 TRP A 140 6.834 -2.987 -0.151 1.00 0.62 C ATOM 316 CZ2 TRP A 140 6.574 -2.090 2.512 1.00 0.69 C ATOM 317 CZ3 TRP A 140 6.910 -3.865 0.911 1.00 0.76 C ATOM 318 CH2 TRP A 140 6.782 -3.414 2.231 1.00 0.78 C ATOM 0 H TRP A 140 6.586 2.056 -2.656 1.00 0.34 H new ATOM 0 HA TRP A 140 8.659 -0.009 -2.312 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.641 -0.062 -2.622 1.00 0.40 H new ATOM 0 HB3 TRP A 140 6.637 -1.503 -2.596 1.00 0.40 H new ATOM 0 HD1 TRP A 140 6.175 1.585 -0.221 1.00 0.54 H new ATOM 0 HE1 TRP A 140 6.177 0.741 2.224 1.00 0.61 H new ATOM 0 HE3 TRP A 140 6.933 -3.344 -1.166 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 6.471 -1.742 3.529 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 7.071 -4.916 0.721 1.00 0.76 H new ATOM 0 HH2 TRP A 140 6.849 -4.124 3.042 1.00 0.78 H new ATOM 329 N HIS A 141 8.475 -0.999 -4.702 1.00 0.34 N ATOM 330 CA HIS A 141 8.470 -1.379 -6.106 1.00 0.34 C ATOM 331 C HIS A 141 7.071 -1.817 -6.496 1.00 0.40 C ATOM 332 O HIS A 141 6.343 -2.406 -5.690 1.00 0.51 O ATOM 333 CB HIS A 141 9.448 -2.518 -6.399 1.00 0.42 C ATOM 334 CG HIS A 141 10.891 -2.136 -6.352 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.838 -3.012 -5.896 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.502 -0.983 -6.725 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.999 -2.389 -5.982 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.849 -1.150 -6.484 1.00 0.72 N ATOM 0 H HIS A 141 8.986 -1.632 -4.087 1.00 0.34 H new ATOM 0 HA HIS A 141 8.784 -0.511 -6.686 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.276 -3.319 -5.680 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.226 -2.923 -7.387 1.00 0.42 H new ATOM 0 HD2 HIS A 141 11.025 -0.104 -7.132 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.945 -2.818 -5.688 1.00 0.71 H new ATOM 0 HE2 HIS A 141 13.588 -0.467 -6.653 1.00 0.72 H new ATOM 346 N LYS A 142 6.721 -1.551 -7.745 1.00 0.49 N ATOM 347 CA LYS A 142 5.406 -1.883 -8.282 1.00 0.65 C ATOM 348 C LYS A 142 5.138 -3.379 -8.157 1.00 0.71 C ATOM 349 O LYS A 142 3.990 -3.815 -8.102 1.00 0.89 O ATOM 350 CB LYS A 142 5.344 -1.462 -9.751 1.00 0.85 C ATOM 351 CG LYS A 142 3.990 -1.654 -10.406 1.00 1.52 C ATOM 352 CD LYS A 142 4.078 -1.412 -11.903 1.00 1.88 C ATOM 353 CE LYS A 142 4.586 -0.012 -12.216 1.00 2.60 C ATOM 354 NZ LYS A 142 4.849 0.180 -13.664 1.00 3.19 N ATOM 0 H LYS A 142 7.340 -1.098 -8.418 1.00 0.49 H new ATOM 0 HA LYS A 142 4.643 -1.351 -7.714 1.00 0.65 H new ATOM 0 HB2 LYS A 142 5.624 -0.411 -9.826 1.00 0.85 H new ATOM 0 HB3 LYS A 142 6.087 -2.031 -10.310 1.00 0.85 H new ATOM 0 HG2 LYS A 142 3.629 -2.665 -10.217 1.00 1.52 H new ATOM 0 HG3 LYS A 142 3.266 -0.969 -9.964 1.00 1.52 H new ATOM 0 HD2 LYS A 142 4.743 -2.150 -12.353 1.00 1.88 H new ATOM 0 HD3 LYS A 142 3.095 -1.552 -12.353 1.00 1.88 H new ATOM 0 HE2 LYS A 142 3.852 0.722 -11.882 1.00 2.60 H new ATOM 0 HE3 LYS A 142 5.502 0.174 -11.655 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 5.193 1.147 -13.829 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 5.568 -0.502 -13.980 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 3.970 0.029 -14.199 1.00 3.19 H new ATOM 368 N THR A 143 6.214 -4.152 -8.102 1.00 0.69 N ATOM 369 CA THR A 143 6.114 -5.595 -8.013 1.00 0.84 C ATOM 370 C THR A 143 6.156 -6.088 -6.564 1.00 0.84 C ATOM 371 O THR A 143 5.720 -7.202 -6.284 1.00 1.10 O ATOM 372 CB THR A 143 7.235 -6.279 -8.824 1.00 0.95 C ATOM 373 OG1 THR A 143 7.199 -7.701 -8.640 1.00 1.38 O ATOM 374 CG2 THR A 143 8.593 -5.741 -8.415 1.00 1.47 C ATOM 0 H THR A 143 7.170 -3.797 -8.118 1.00 0.69 H new ATOM 0 HA THR A 143 5.147 -5.866 -8.436 1.00 0.84 H new ATOM 0 HB THR A 143 7.071 -6.058 -9.879 1.00 0.95 H new ATOM 0 HG1 THR A 143 7.916 -8.117 -9.163 1.00 1.38 H new ATOM 0 HG21 THR A 143 9.371 -6.235 -8.998 1.00 1.47 H new ATOM 0 HG22 THR A 143 8.629 -4.667 -8.598 1.00 1.47 H new ATOM 0 HG23 THR A 143 8.756 -5.934 -7.355 1.00 1.47 H new ATOM 382 N CYS A 144 6.653 -5.260 -5.652 1.00 0.68 N ATOM 383 CA CYS A 144 6.893 -5.695 -4.277 1.00 0.76 C ATOM 384 C CYS A 144 5.810 -5.222 -3.328 1.00 0.81 C ATOM 385 O CYS A 144 5.595 -5.821 -2.274 1.00 0.96 O ATOM 386 CB CYS A 144 8.240 -5.187 -3.814 1.00 0.73 C ATOM 387 SG CYS A 144 9.560 -5.582 -4.983 1.00 1.14 S ATOM 0 H CYS A 144 6.897 -4.287 -5.837 1.00 0.68 H new ATOM 0 HA CYS A 144 6.879 -6.785 -4.268 1.00 0.76 H new ATOM 0 HB2 CYS A 144 8.191 -4.107 -3.676 1.00 0.73 H new ATOM 0 HB3 CYS A 144 8.476 -5.622 -2.843 1.00 0.73 H new ATOM 392 N PHE A 145 5.148 -4.137 -3.688 1.00 0.80 N ATOM 393 CA PHE A 145 3.992 -3.682 -2.946 1.00 0.86 C ATOM 394 C PHE A 145 2.835 -4.611 -3.272 1.00 0.79 C ATOM 395 O PHE A 145 1.890 -4.243 -3.966 1.00 0.81 O ATOM 396 CB PHE A 145 3.667 -2.241 -3.319 1.00 0.94 C ATOM 397 CG PHE A 145 2.725 -1.556 -2.375 1.00 0.97 C ATOM 398 CD1 PHE A 145 2.933 -1.616 -1.011 1.00 1.03 C ATOM 399 CD2 PHE A 145 1.619 -0.876 -2.854 1.00 1.05 C ATOM 400 CE1 PHE A 145 2.056 -1.009 -0.138 1.00 1.10 C ATOM 401 CE2 PHE A 145 0.738 -0.268 -1.986 1.00 1.13 C ATOM 402 CZ PHE A 145 1.010 -0.243 -0.637 1.00 1.13 C ATOM 0 H PHE A 145 5.393 -3.556 -4.490 1.00 0.80 H new ATOM 0 HA PHE A 145 4.186 -3.704 -1.874 1.00 0.86 H new ATOM 0 HB2 PHE A 145 4.595 -1.672 -3.364 1.00 0.94 H new ATOM 0 HB3 PHE A 145 3.235 -2.226 -4.320 1.00 0.94 H new ATOM 0 HD1 PHE A 145 3.792 -2.144 -0.624 1.00 1.03 H new ATOM 0 HD2 PHE A 145 1.445 -0.821 -3.918 1.00 1.05 H new ATOM 0 HE1 PHE A 145 2.181 -1.128 0.928 1.00 1.10 H new ATOM 0 HE2 PHE A 145 -0.165 0.188 -2.364 1.00 1.13 H new ATOM 0 HZ PHE A 145 0.416 0.367 0.028 1.00 1.13 H new ATOM 412 N ARG A 146 2.953 -5.836 -2.793 1.00 0.76 N ATOM 413 CA ARG A 146 2.066 -6.908 -3.181 1.00 0.69 C ATOM 414 C ARG A 146 1.787 -7.806 -1.999 1.00 0.66 C ATOM 415 O ARG A 146 2.416 -7.670 -0.950 1.00 0.95 O ATOM 416 CB ARG A 146 2.714 -7.733 -4.294 1.00 0.77 C ATOM 417 CG ARG A 146 3.902 -8.573 -3.849 1.00 1.08 C ATOM 418 CD ARG A 146 4.341 -9.509 -4.960 1.00 1.13 C ATOM 419 NE ARG A 146 5.490 -10.327 -4.585 1.00 1.61 N ATOM 420 CZ ARG A 146 6.174 -11.077 -5.446 1.00 1.86 C ATOM 421 NH1 ARG A 146 5.832 -11.100 -6.726 1.00 1.73 N ATOM 422 NH2 ARG A 146 7.192 -11.815 -5.026 1.00 2.78 N ATOM 0 H ARG A 146 3.670 -6.112 -2.122 1.00 0.76 H new ATOM 0 HA ARG A 146 1.130 -6.478 -3.536 1.00 0.69 H new ATOM 0 HB2 ARG A 146 1.961 -8.392 -4.725 1.00 0.77 H new ATOM 0 HB3 ARG A 146 3.039 -7.059 -5.086 1.00 0.77 H new ATOM 0 HG2 ARG A 146 4.729 -7.922 -3.567 1.00 1.08 H new ATOM 0 HG3 ARG A 146 3.635 -9.151 -2.964 1.00 1.08 H new ATOM 0 HD2 ARG A 146 3.510 -10.160 -5.231 1.00 1.13 H new ATOM 0 HD3 ARG A 146 4.590 -8.924 -5.845 1.00 1.13 H new ATOM 0 HE ARG A 146 5.785 -10.324 -3.609 1.00 1.61 H new ATOM 0 HH11 ARG A 146 5.043 -10.542 -7.053 1.00 1.73 H new ATOM 0 HH12 ARG A 146 6.358 -11.675 -7.384 1.00 1.73 H new ATOM 0 HH21 ARG A 146 7.453 -11.809 -4.040 1.00 2.78 H new ATOM 0 HH22 ARG A 146 7.714 -12.388 -5.689 1.00 2.78 H new ATOM 436 N CYS A 147 0.860 -8.731 -2.170 1.00 0.42 N ATOM 437 CA CYS A 147 0.587 -9.690 -1.129 1.00 0.43 C ATOM 438 C CYS A 147 1.128 -11.061 -1.516 1.00 0.52 C ATOM 439 O CYS A 147 1.042 -11.486 -2.692 1.00 0.53 O ATOM 440 CB CYS A 147 -0.903 -9.767 -0.834 1.00 0.43 C ATOM 441 SG CYS A 147 -1.666 -11.351 -1.265 1.00 0.68 S ATOM 0 H CYS A 147 0.292 -8.834 -3.011 1.00 0.42 H new ATOM 0 HA CYS A 147 1.092 -9.359 -0.221 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -1.062 -9.577 0.228 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -1.411 -8.972 -1.379 1.00 0.43 H new ATOM 446 N ALA A 148 1.707 -11.727 -0.521 1.00 0.67 N ATOM 447 CA ALA A 148 2.283 -13.050 -0.687 1.00 0.82 C ATOM 448 C ALA A 148 1.214 -14.134 -0.788 1.00 0.84 C ATOM 449 O ALA A 148 1.521 -15.275 -1.130 1.00 0.98 O ATOM 450 CB ALA A 148 3.230 -13.354 0.462 1.00 1.02 C ATOM 0 H ALA A 148 1.788 -11.359 0.427 1.00 0.67 H new ATOM 0 HA ALA A 148 2.837 -13.050 -1.626 1.00 0.82 H new ATOM 0 HB1 ALA A 148 3.657 -14.348 0.329 1.00 1.02 H new ATOM 0 HB2 ALA A 148 4.031 -12.615 0.479 1.00 1.02 H new ATOM 0 HB3 ALA A 148 2.683 -13.318 1.404 1.00 1.02 H new ATOM 456 N ILE A 149 -0.033 -13.783 -0.498 1.00 0.76 N ATOM 457 CA ILE A 149 -1.115 -14.759 -0.512 1.00 0.84 C ATOM 458 C ILE A 149 -1.409 -15.211 -1.934 1.00 0.85 C ATOM 459 O ILE A 149 -1.564 -16.406 -2.196 1.00 1.00 O ATOM 460 CB ILE A 149 -2.403 -14.200 0.135 1.00 0.82 C ATOM 461 CG1 ILE A 149 -2.174 -13.914 1.621 1.00 0.86 C ATOM 462 CG2 ILE A 149 -3.573 -15.161 -0.045 1.00 0.97 C ATOM 463 CD1 ILE A 149 -1.820 -15.141 2.435 1.00 1.02 C ATOM 0 H ILE A 149 -0.319 -12.835 -0.252 1.00 0.76 H new ATOM 0 HA ILE A 149 -0.784 -15.614 0.078 1.00 0.84 H new ATOM 0 HB ILE A 149 -2.653 -13.266 -0.369 1.00 0.82 H new ATOM 0 HG12 ILE A 149 -1.374 -13.181 1.721 1.00 0.86 H new ATOM 0 HG13 ILE A 149 -3.074 -13.462 2.037 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -4.464 -14.740 0.420 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -3.757 -15.315 -1.108 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -3.335 -16.116 0.424 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -1.673 -14.857 3.477 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -2.629 -15.868 2.368 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -0.902 -15.583 2.047 1.00 1.02 H new ATOM 475 N CYS A 150 -1.467 -14.269 -2.860 1.00 0.73 N ATOM 476 CA CYS A 150 -1.746 -14.612 -4.232 1.00 0.79 C ATOM 477 C CYS A 150 -0.503 -14.395 -5.083 1.00 0.75 C ATOM 478 O CYS A 150 -0.376 -14.947 -6.178 1.00 0.87 O ATOM 479 CB CYS A 150 -2.911 -13.778 -4.754 1.00 0.78 C ATOM 480 SG CYS A 150 -2.568 -11.999 -4.813 1.00 0.82 S ATOM 0 H CYS A 150 -1.326 -13.274 -2.684 1.00 0.73 H new ATOM 0 HA CYS A 150 -2.025 -15.664 -4.289 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -3.172 -14.122 -5.755 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -3.781 -13.950 -4.121 1.00 0.78 H new ATOM 485 N GLY A 151 0.426 -13.613 -4.545 1.00 0.66 N ATOM 486 CA GLY A 151 1.642 -13.290 -5.258 1.00 0.70 C ATOM 487 C GLY A 151 1.419 -12.163 -6.239 1.00 0.66 C ATOM 488 O GLY A 151 2.157 -12.020 -7.215 1.00 0.76 O ATOM 0 H GLY A 151 0.354 -13.194 -3.618 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.419 -13.008 -4.547 1.00 0.70 H new ATOM 0 HA3 GLY A 151 2.000 -14.172 -5.789 1.00 0.70 H new ATOM 492 N LYS A 152 0.413 -11.347 -5.964 1.00 0.58 N ATOM 493 CA LYS A 152 -0.017 -10.332 -6.922 1.00 0.64 C ATOM 494 C LYS A 152 0.421 -8.946 -6.495 1.00 0.56 C ATOM 495 O LYS A 152 0.193 -8.535 -5.357 1.00 0.50 O ATOM 496 CB LYS A 152 -1.535 -10.357 -7.106 1.00 0.80 C ATOM 497 CG LYS A 152 -2.089 -9.204 -7.928 1.00 0.89 C ATOM 498 CD LYS A 152 -3.594 -9.091 -7.751 1.00 1.39 C ATOM 499 CE LYS A 152 -4.158 -7.834 -8.394 1.00 1.75 C ATOM 500 NZ LYS A 152 -3.987 -7.825 -9.867 1.00 2.37 N ATOM 0 H LYS A 152 -0.119 -11.364 -5.094 1.00 0.58 H new ATOM 0 HA LYS A 152 0.459 -10.569 -7.873 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -1.815 -11.295 -7.585 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.008 -10.347 -6.124 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -1.611 -8.272 -7.625 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -1.852 -9.355 -8.981 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -4.076 -9.967 -8.186 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -3.834 -9.091 -6.688 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -5.218 -7.751 -8.154 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -3.665 -6.960 -7.969 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -4.402 -6.956 -10.259 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -2.974 -7.860 -10.099 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -4.465 -8.653 -10.277 1.00 2.37 H new ATOM 514 N SER A 153 1.037 -8.232 -7.427 1.00 0.67 N ATOM 515 CA SER A 153 1.511 -6.883 -7.187 1.00 0.73 C ATOM 516 C SER A 153 0.346 -5.900 -7.188 1.00 0.76 C ATOM 517 O SER A 153 -0.535 -5.967 -8.049 1.00 0.94 O ATOM 518 CB SER A 153 2.540 -6.516 -8.249 1.00 0.91 C ATOM 519 OG SER A 153 3.636 -7.419 -8.216 1.00 1.46 O ATOM 0 H SER A 153 1.221 -8.575 -8.370 1.00 0.67 H new ATOM 0 HA SER A 153 1.984 -6.832 -6.206 1.00 0.73 H new ATOM 0 HB2 SER A 153 2.076 -6.535 -9.235 1.00 0.91 H new ATOM 0 HB3 SER A 153 2.895 -5.499 -8.083 1.00 0.91 H new ATOM 0 HG SER A 153 4.017 -7.504 -9.115 1.00 1.46 H new ATOM 525 N LEU A 154 0.341 -4.997 -6.222 1.00 0.71 N ATOM 526 CA LEU A 154 -0.778 -4.095 -6.025 1.00 0.76 C ATOM 527 C LEU A 154 -0.426 -2.669 -6.408 1.00 0.92 C ATOM 528 O LEU A 154 0.711 -2.363 -6.769 1.00 1.13 O ATOM 529 CB LEU A 154 -1.204 -4.130 -4.560 1.00 0.70 C ATOM 530 CG LEU A 154 -1.735 -5.474 -4.080 1.00 0.70 C ATOM 531 CD1 LEU A 154 -1.878 -5.479 -2.568 1.00 0.85 C ATOM 532 CD2 LEU A 154 -3.064 -5.781 -4.744 1.00 0.86 C ATOM 0 H LEU A 154 1.105 -4.870 -5.559 1.00 0.71 H new ATOM 0 HA LEU A 154 -1.593 -4.427 -6.669 1.00 0.76 H new ATOM 0 HB2 LEU A 154 -0.351 -3.851 -3.942 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -1.973 -3.374 -4.402 1.00 0.70 H new ATOM 0 HG LEU A 154 -1.022 -6.250 -4.358 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -2.259 -6.447 -2.242 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.906 -5.298 -2.110 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -2.573 -4.695 -2.266 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -3.433 -6.745 -4.392 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -3.785 -5.003 -4.492 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -2.931 -5.816 -5.825 1.00 0.86 H new ATOM 544 N GLU A 155 -1.427 -1.812 -6.331 1.00 1.24 N ATOM 545 CA GLU A 155 -1.254 -0.390 -6.528 1.00 1.53 C ATOM 546 C GLU A 155 -1.935 0.323 -5.369 1.00 1.73 C ATOM 547 O GLU A 155 -3.026 -0.073 -4.955 1.00 2.45 O ATOM 548 CB GLU A 155 -1.849 0.029 -7.873 1.00 1.96 C ATOM 549 CG GLU A 155 -1.583 1.475 -8.245 1.00 2.39 C ATOM 550 CD GLU A 155 -2.089 1.805 -9.634 1.00 3.01 C ATOM 551 OE1 GLU A 155 -3.321 1.902 -9.819 1.00 3.46 O ATOM 552 OE2 GLU A 155 -1.255 1.991 -10.542 1.00 3.54 O ATOM 0 H GLU A 155 -2.388 -2.088 -6.129 1.00 1.24 H new ATOM 0 HA GLU A 155 -0.197 -0.124 -6.548 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -1.445 -0.616 -8.653 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -2.926 -0.136 -7.849 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -2.063 2.131 -7.519 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -0.512 1.672 -8.193 1.00 2.39 H new ATOM 559 N SER A 156 -1.286 1.347 -4.836 1.00 1.83 N ATOM 560 CA SER A 156 -1.713 1.962 -3.584 1.00 2.22 C ATOM 561 C SER A 156 -3.101 2.595 -3.684 1.00 1.96 C ATOM 562 O SER A 156 -3.245 3.748 -4.090 1.00 2.65 O ATOM 563 CB SER A 156 -0.696 3.005 -3.130 1.00 3.04 C ATOM 564 OG SER A 156 -1.010 3.466 -1.832 1.00 3.58 O ATOM 0 H SER A 156 -0.458 1.773 -5.252 1.00 1.83 H new ATOM 0 HA SER A 156 -1.774 1.164 -2.844 1.00 2.22 H new ATOM 0 HB2 SER A 156 0.305 2.574 -3.137 1.00 3.04 H new ATOM 0 HB3 SER A 156 -0.688 3.842 -3.828 1.00 3.04 H new ATOM 0 HG SER A 156 -0.349 4.133 -1.553 1.00 3.58 H new ATOM 570 N THR A 157 -4.113 1.821 -3.307 1.00 1.62 N ATOM 571 CA THR A 157 -5.481 2.307 -3.225 1.00 1.69 C ATOM 572 C THR A 157 -6.385 1.254 -2.572 1.00 1.51 C ATOM 573 O THR A 157 -7.322 1.591 -1.847 1.00 2.11 O ATOM 574 CB THR A 157 -6.041 2.714 -4.611 1.00 2.15 C ATOM 575 OG1 THR A 157 -7.375 3.215 -4.476 1.00 2.66 O ATOM 576 CG2 THR A 157 -6.022 1.545 -5.593 1.00 2.67 C ATOM 0 H THR A 157 -4.006 0.840 -3.050 1.00 1.62 H new ATOM 0 HA THR A 157 -5.469 3.203 -2.604 1.00 1.69 H new ATOM 0 HB THR A 157 -5.397 3.497 -5.010 1.00 2.15 H new ATOM 0 HG1 THR A 157 -7.719 3.471 -5.357 1.00 2.66 H new ATOM 0 HG21 THR A 157 -6.422 1.870 -6.553 1.00 2.67 H new ATOM 0 HG22 THR A 157 -4.997 1.198 -5.726 1.00 2.67 H new ATOM 0 HG23 THR A 157 -6.633 0.731 -5.202 1.00 2.67 H new ATOM 584 N ASN A 158 -6.087 -0.020 -2.815 1.00 1.17 N ATOM 585 CA ASN A 158 -6.836 -1.114 -2.199 1.00 1.14 C ATOM 586 C ASN A 158 -5.897 -2.019 -1.415 1.00 0.94 C ATOM 587 O ASN A 158 -6.192 -3.188 -1.178 1.00 1.16 O ATOM 588 CB ASN A 158 -7.585 -1.934 -3.263 1.00 1.38 C ATOM 589 CG ASN A 158 -6.659 -2.569 -4.290 1.00 1.61 C ATOM 590 OD1 ASN A 158 -6.484 -1.904 -5.421 1.00 2.30 O flip ATOM 591 ND2 ASN A 158 -6.135 -3.663 -4.082 1.00 2.09 N flip ATOM 0 H ASN A 158 -5.333 -0.321 -3.433 1.00 1.17 H new ATOM 0 HA ASN A 158 -7.568 -0.681 -1.517 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -8.162 -2.717 -2.770 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -8.297 -1.288 -3.776 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -6.294 -4.145 -3.197 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -5.542 -4.088 -4.795 1.00 2.09 H new ATOM 598 N VAL A 159 -4.771 -1.459 -0.995 1.00 0.79 N ATOM 599 CA VAL A 159 -3.729 -2.240 -0.342 1.00 0.72 C ATOM 600 C VAL A 159 -3.824 -2.116 1.175 1.00 0.69 C ATOM 601 O VAL A 159 -4.116 -1.039 1.700 1.00 0.83 O ATOM 602 CB VAL A 159 -2.323 -1.790 -0.788 1.00 0.94 C ATOM 603 CG1 VAL A 159 -1.265 -2.777 -0.315 1.00 1.27 C ATOM 604 CG2 VAL A 159 -2.264 -1.614 -2.297 1.00 1.59 C ATOM 0 H VAL A 159 -4.556 -0.467 -1.095 1.00 0.79 H new ATOM 0 HA VAL A 159 -3.882 -3.278 -0.636 1.00 0.72 H new ATOM 0 HB VAL A 159 -2.115 -0.824 -0.328 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -0.281 -2.440 -0.641 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -1.286 -2.839 0.773 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -1.470 -3.760 -0.738 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -1.263 -1.296 -2.587 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -2.500 -2.561 -2.783 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -2.987 -0.859 -2.604 1.00 1.59 H new ATOM 614 N THR A 160 -3.580 -3.216 1.871 1.00 0.62 N ATOM 615 CA THR A 160 -3.576 -3.222 3.325 1.00 0.67 C ATOM 616 C THR A 160 -2.231 -3.719 3.852 1.00 0.70 C ATOM 617 O THR A 160 -1.528 -4.465 3.167 1.00 0.81 O ATOM 618 CB THR A 160 -4.712 -4.097 3.882 1.00 0.71 C ATOM 619 OG1 THR A 160 -4.681 -5.387 3.264 1.00 1.16 O ATOM 620 CG2 THR A 160 -6.066 -3.444 3.643 1.00 1.08 C ATOM 0 H THR A 160 -3.381 -4.122 1.448 1.00 0.62 H new ATOM 0 HA THR A 160 -3.736 -2.198 3.662 1.00 0.67 H new ATOM 0 HB THR A 160 -4.566 -4.206 4.957 1.00 0.71 H new ATOM 0 HG1 THR A 160 -4.999 -6.062 3.899 1.00 1.16 H new ATOM 0 HG21 THR A 160 -6.853 -4.081 4.045 1.00 1.08 H new ATOM 0 HG22 THR A 160 -6.095 -2.474 4.140 1.00 1.08 H new ATOM 0 HG23 THR A 160 -6.221 -3.308 2.573 1.00 1.08 H new ATOM 628 N ASP A 161 -1.873 -3.299 5.060 1.00 0.82 N ATOM 629 CA ASP A 161 -0.571 -3.629 5.635 1.00 0.93 C ATOM 630 C ASP A 161 -0.729 -4.467 6.900 1.00 0.96 C ATOM 631 O ASP A 161 -1.686 -4.290 7.658 1.00 1.06 O ATOM 632 CB ASP A 161 0.206 -2.343 5.953 1.00 1.18 C ATOM 633 CG ASP A 161 -0.339 -1.600 7.161 1.00 1.61 C ATOM 634 OD1 ASP A 161 -1.461 -1.053 7.066 1.00 2.13 O ATOM 635 OD2 ASP A 161 0.348 -1.556 8.205 1.00 2.27 O ATOM 0 H ASP A 161 -2.466 -2.728 5.662 1.00 0.82 H new ATOM 0 HA ASP A 161 -0.014 -4.214 4.903 1.00 0.93 H new ATOM 0 HB2 ASP A 161 1.252 -2.592 6.129 1.00 1.18 H new ATOM 0 HB3 ASP A 161 0.177 -1.684 5.085 1.00 1.18 H new ATOM 640 N LYS A 162 0.200 -5.396 7.110 1.00 0.98 N ATOM 641 CA LYS A 162 0.227 -6.217 8.317 1.00 1.10 C ATOM 642 C LYS A 162 1.649 -6.635 8.674 1.00 1.22 C ATOM 643 O LYS A 162 2.166 -7.622 8.147 1.00 1.27 O ATOM 644 CB LYS A 162 -0.651 -7.463 8.155 1.00 1.17 C ATOM 645 CG LYS A 162 -2.125 -7.203 8.413 1.00 1.55 C ATOM 646 CD LYS A 162 -2.364 -6.821 9.867 1.00 1.86 C ATOM 647 CE LYS A 162 -3.722 -6.172 10.058 1.00 2.36 C ATOM 648 NZ LYS A 162 -3.774 -4.812 9.453 1.00 2.95 N ATOM 0 H LYS A 162 0.952 -5.600 6.452 1.00 0.98 H new ATOM 0 HA LYS A 162 -0.170 -5.607 9.129 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -0.531 -7.854 7.145 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -0.301 -8.236 8.840 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -2.477 -6.404 7.761 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -2.704 -8.093 8.167 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -2.294 -7.710 10.494 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -1.583 -6.136 10.197 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -4.491 -6.800 9.608 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -3.947 -6.105 11.122 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 -3.733 -4.095 10.206 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 -2.966 -4.687 8.811 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -4.660 -4.703 8.920 1.00 2.95 H new ATOM 662 N ASP A 163 2.277 -5.850 9.550 1.00 1.37 N ATOM 663 CA ASP A 163 3.562 -6.203 10.164 1.00 1.58 C ATOM 664 C ASP A 163 4.657 -6.422 9.124 1.00 1.48 C ATOM 665 O ASP A 163 5.446 -7.361 9.229 1.00 1.94 O ATOM 666 CB ASP A 163 3.420 -7.456 11.038 1.00 1.83 C ATOM 667 CG ASP A 163 2.578 -7.226 12.278 1.00 2.42 C ATOM 668 OD1 ASP A 163 1.333 -7.181 12.166 1.00 2.97 O ATOM 669 OD2 ASP A 163 3.155 -7.122 13.382 1.00 2.80 O ATOM 0 H ASP A 163 1.910 -4.949 9.856 1.00 1.37 H new ATOM 0 HA ASP A 163 3.856 -5.358 10.787 1.00 1.58 H new ATOM 0 HB2 ASP A 163 2.974 -8.255 10.446 1.00 1.83 H new ATOM 0 HB3 ASP A 163 4.411 -7.797 11.338 1.00 1.83 H new ATOM 674 N GLY A 164 4.700 -5.562 8.119 1.00 1.41 N ATOM 675 CA GLY A 164 5.739 -5.648 7.111 1.00 1.46 C ATOM 676 C GLY A 164 5.256 -6.329 5.851 1.00 1.29 C ATOM 677 O GLY A 164 5.803 -6.116 4.766 1.00 1.45 O ATOM 0 H GLY A 164 4.032 -4.803 7.982 1.00 1.41 H new ATOM 0 HA2 GLY A 164 6.091 -4.645 6.868 1.00 1.46 H new ATOM 0 HA3 GLY A 164 6.590 -6.196 7.515 1.00 1.46 H new ATOM 681 N GLU A 165 4.231 -7.153 5.995 1.00 1.10 N ATOM 682 CA GLU A 165 3.637 -7.838 4.863 1.00 1.01 C ATOM 683 C GLU A 165 2.465 -7.018 4.338 1.00 0.86 C ATOM 684 O GLU A 165 1.864 -6.243 5.081 1.00 0.92 O ATOM 685 CB GLU A 165 3.170 -9.241 5.272 1.00 1.13 C ATOM 686 CG GLU A 165 2.731 -10.109 4.102 1.00 1.48 C ATOM 687 CD GLU A 165 3.837 -10.315 3.090 1.00 1.70 C ATOM 688 OE1 GLU A 165 4.001 -9.452 2.203 1.00 2.21 O ATOM 689 OE2 GLU A 165 4.559 -11.332 3.189 1.00 2.17 O ATOM 0 H GLU A 165 3.792 -7.363 6.891 1.00 1.10 H new ATOM 0 HA GLU A 165 4.382 -7.946 4.075 1.00 1.01 H new ATOM 0 HB2 GLU A 165 3.980 -9.743 5.801 1.00 1.13 H new ATOM 0 HB3 GLU A 165 2.341 -9.147 5.974 1.00 1.13 H new ATOM 0 HG2 GLU A 165 2.399 -11.078 4.476 1.00 1.48 H new ATOM 0 HG3 GLU A 165 1.875 -9.647 3.611 1.00 1.48 H new ATOM 696 N LEU A 166 2.160 -7.172 3.063 1.00 0.77 N ATOM 697 CA LEU A 166 1.047 -6.458 2.458 1.00 0.65 C ATOM 698 C LEU A 166 -0.006 -7.453 2.014 1.00 0.55 C ATOM 699 O LEU A 166 0.298 -8.623 1.780 1.00 0.63 O ATOM 700 CB LEU A 166 1.499 -5.604 1.257 1.00 0.71 C ATOM 701 CG LEU A 166 2.360 -4.373 1.583 1.00 0.86 C ATOM 702 CD1 LEU A 166 1.703 -3.517 2.652 1.00 1.25 C ATOM 703 CD2 LEU A 166 3.754 -4.784 2.014 1.00 1.21 C ATOM 0 H LEU A 166 2.667 -7.785 2.424 1.00 0.77 H new ATOM 0 HA LEU A 166 0.633 -5.782 3.206 1.00 0.65 H new ATOM 0 HB2 LEU A 166 2.060 -6.243 0.575 1.00 0.71 H new ATOM 0 HB3 LEU A 166 0.611 -5.268 0.722 1.00 0.71 H new ATOM 0 HG LEU A 166 2.446 -3.778 0.674 1.00 0.86 H new ATOM 0 HD11 LEU A 166 2.333 -2.653 2.864 1.00 1.25 H new ATOM 0 HD12 LEU A 166 0.729 -3.178 2.299 1.00 1.25 H new ATOM 0 HD13 LEU A 166 1.575 -4.105 3.561 1.00 1.25 H new ATOM 0 HD21 LEU A 166 4.342 -3.894 2.239 1.00 1.21 H new ATOM 0 HD22 LEU A 166 3.690 -5.411 2.903 1.00 1.21 H new ATOM 0 HD23 LEU A 166 4.233 -5.343 1.210 1.00 1.21 H new ATOM 715 N TYR A 167 -1.243 -6.998 1.931 1.00 0.46 N ATOM 716 CA TYR A 167 -2.339 -7.843 1.491 1.00 0.38 C ATOM 717 C TYR A 167 -3.280 -7.067 0.581 1.00 0.33 C ATOM 718 O TYR A 167 -3.567 -5.890 0.826 1.00 0.45 O ATOM 719 CB TYR A 167 -3.120 -8.388 2.691 1.00 0.46 C ATOM 720 CG TYR A 167 -2.343 -9.357 3.559 1.00 0.62 C ATOM 721 CD1 TYR A 167 -2.337 -10.714 3.272 1.00 0.74 C ATOM 722 CD2 TYR A 167 -1.620 -8.915 4.663 1.00 0.79 C ATOM 723 CE1 TYR A 167 -1.638 -11.608 4.059 1.00 0.94 C ATOM 724 CE2 TYR A 167 -0.916 -9.806 5.454 1.00 0.97 C ATOM 725 CZ TYR A 167 -0.929 -11.148 5.145 1.00 1.03 C ATOM 726 OH TYR A 167 -0.230 -12.041 5.931 1.00 1.23 O ATOM 0 H TYR A 167 -1.515 -6.043 2.164 1.00 0.46 H new ATOM 0 HA TYR A 167 -1.915 -8.680 0.936 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -3.447 -7.550 3.307 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -4.019 -8.886 2.328 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -2.889 -11.078 2.418 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -1.608 -7.863 4.906 1.00 0.79 H new ATOM 0 HE1 TYR A 167 -1.648 -12.662 3.824 1.00 0.94 H new ATOM 0 HE2 TYR A 167 -0.360 -9.451 6.309 1.00 0.97 H new ATOM 0 HH TYR A 167 0.218 -11.557 6.656 1.00 1.23 H new ATOM 736 N CYS A 168 -3.732 -7.727 -0.478 1.00 0.30 N ATOM 737 CA CYS A 168 -4.744 -7.168 -1.355 1.00 0.38 C ATOM 738 C CYS A 168 -6.069 -7.065 -0.613 1.00 0.45 C ATOM 739 O CYS A 168 -6.289 -7.798 0.348 1.00 0.47 O ATOM 740 CB CYS A 168 -4.912 -8.057 -2.583 1.00 0.46 C ATOM 741 SG CYS A 168 -3.340 -8.687 -3.250 1.00 0.52 S ATOM 0 H CYS A 168 -3.409 -8.656 -0.749 1.00 0.30 H new ATOM 0 HA CYS A 168 -4.431 -6.173 -1.672 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.551 -8.901 -2.325 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.427 -7.493 -3.361 1.00 0.46 H new ATOM 746 N LYS A 169 -6.952 -6.186 -1.058 1.00 0.60 N ATOM 747 CA LYS A 169 -8.242 -6.006 -0.398 1.00 0.72 C ATOM 748 C LYS A 169 -9.022 -7.326 -0.340 1.00 0.69 C ATOM 749 O LYS A 169 -9.767 -7.578 0.612 1.00 0.75 O ATOM 750 CB LYS A 169 -9.065 -4.938 -1.119 1.00 0.94 C ATOM 751 CG LYS A 169 -10.310 -4.529 -0.358 1.00 1.57 C ATOM 752 CD LYS A 169 -11.127 -3.507 -1.126 1.00 1.97 C ATOM 753 CE LYS A 169 -12.370 -3.100 -0.352 1.00 2.66 C ATOM 754 NZ LYS A 169 -13.236 -4.266 -0.035 1.00 3.12 N ATOM 0 H LYS A 169 -6.804 -5.587 -1.870 1.00 0.60 H new ATOM 0 HA LYS A 169 -8.054 -5.677 0.624 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -8.442 -4.059 -1.284 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -9.354 -5.313 -2.101 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -10.921 -5.409 -0.160 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -10.026 -4.115 0.609 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -10.516 -2.627 -1.327 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -11.417 -3.921 -2.092 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -12.075 -2.605 0.573 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -12.938 -2.374 -0.934 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -14.170 -3.930 0.275 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -13.345 -4.858 -0.883 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -12.799 -4.826 0.725 1.00 3.12 H new ATOM 768 N VAL A 170 -8.826 -8.169 -1.347 1.00 0.70 N ATOM 769 CA VAL A 170 -9.513 -9.455 -1.426 1.00 0.77 C ATOM 770 C VAL A 170 -8.847 -10.490 -0.517 1.00 0.69 C ATOM 771 O VAL A 170 -9.518 -11.193 0.242 1.00 0.78 O ATOM 772 CB VAL A 170 -9.521 -9.984 -2.876 1.00 0.88 C ATOM 773 CG1 VAL A 170 -10.216 -11.333 -2.961 1.00 1.02 C ATOM 774 CG2 VAL A 170 -10.183 -8.979 -3.804 1.00 1.02 C ATOM 0 H VAL A 170 -8.193 -7.984 -2.125 1.00 0.70 H new ATOM 0 HA VAL A 170 -10.539 -9.297 -1.094 1.00 0.77 H new ATOM 0 HB VAL A 170 -8.487 -10.120 -3.194 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -10.207 -11.682 -3.993 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -9.693 -12.052 -2.330 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -11.247 -11.233 -2.620 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -10.180 -9.367 -4.822 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -11.211 -8.809 -3.483 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -9.633 -8.038 -3.773 1.00 1.02 H new ATOM 784 N CYS A 171 -7.527 -10.576 -0.601 1.00 0.58 N ATOM 785 CA CYS A 171 -6.761 -11.528 0.188 1.00 0.59 C ATOM 786 C CYS A 171 -6.759 -11.146 1.669 1.00 0.57 C ATOM 787 O CYS A 171 -6.686 -12.009 2.544 1.00 0.66 O ATOM 788 CB CYS A 171 -5.338 -11.593 -0.359 1.00 0.58 C ATOM 789 SG CYS A 171 -5.258 -11.727 -2.179 1.00 0.80 S ATOM 0 H CYS A 171 -6.960 -9.991 -1.215 1.00 0.58 H new ATOM 0 HA CYS A 171 -7.226 -12.511 0.111 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.796 -10.701 -0.045 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -4.827 -12.449 0.083 1.00 0.58 H new ATOM 794 N TYR A 172 -6.852 -9.849 1.947 1.00 0.51 N ATOM 795 CA TYR A 172 -6.890 -9.357 3.320 1.00 0.59 C ATOM 796 C TYR A 172 -8.147 -9.838 4.028 1.00 0.67 C ATOM 797 O TYR A 172 -8.144 -10.022 5.238 1.00 0.76 O ATOM 798 CB TYR A 172 -6.830 -7.829 3.352 1.00 0.65 C ATOM 799 CG TYR A 172 -6.748 -7.248 4.749 1.00 0.89 C ATOM 800 CD1 TYR A 172 -5.565 -7.289 5.479 1.00 1.29 C ATOM 801 CD2 TYR A 172 -7.862 -6.665 5.344 1.00 1.24 C ATOM 802 CE1 TYR A 172 -5.495 -6.764 6.756 1.00 1.57 C ATOM 803 CE2 TYR A 172 -7.798 -6.141 6.621 1.00 1.45 C ATOM 804 CZ TYR A 172 -6.584 -6.168 7.310 1.00 1.48 C ATOM 805 OH TYR A 172 -6.548 -5.664 8.594 1.00 1.78 O ATOM 0 H TYR A 172 -6.903 -9.118 1.237 1.00 0.51 H new ATOM 0 HA TYR A 172 -6.018 -9.753 3.841 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.964 -7.497 2.779 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.714 -7.430 2.854 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -4.686 -7.739 5.041 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -8.793 -6.621 4.798 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -4.573 -6.828 7.315 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -8.677 -5.715 7.081 1.00 1.45 H new ATOM 0 HH TYR A 172 -6.611 -6.401 9.237 1.00 1.78 H new ATOM 815 N ALA A 173 -9.213 -10.051 3.264 1.00 0.72 N ATOM 816 CA ALA A 173 -10.475 -10.533 3.817 1.00 0.87 C ATOM 817 C ALA A 173 -10.302 -11.906 4.461 1.00 0.91 C ATOM 818 O ALA A 173 -11.079 -12.299 5.329 1.00 1.05 O ATOM 819 CB ALA A 173 -11.541 -10.584 2.734 1.00 1.05 C ATOM 0 H ALA A 173 -9.229 -9.897 2.256 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.795 -9.836 4.591 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.477 -10.945 3.161 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.691 -9.585 2.324 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -11.221 -11.258 1.940 1.00 1.05 H new ATOM 825 N LYS A 174 -9.286 -12.631 4.014 1.00 0.89 N ATOM 826 CA LYS A 174 -9.007 -13.970 4.517 1.00 1.06 C ATOM 827 C LYS A 174 -8.408 -13.923 5.924 1.00 1.08 C ATOM 828 O LYS A 174 -8.886 -14.599 6.835 1.00 1.27 O ATOM 829 CB LYS A 174 -8.045 -14.683 3.566 1.00 1.17 C ATOM 830 CG LYS A 174 -8.536 -14.725 2.132 1.00 1.67 C ATOM 831 CD LYS A 174 -7.506 -15.354 1.213 1.00 2.21 C ATOM 832 CE LYS A 174 -7.880 -15.171 -0.246 1.00 2.63 C ATOM 833 NZ LYS A 174 -9.220 -15.730 -0.551 1.00 3.36 N ATOM 0 H LYS A 174 -8.635 -12.311 3.297 1.00 0.89 H new ATOM 0 HA LYS A 174 -9.948 -14.518 4.571 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -7.078 -14.182 3.596 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -7.887 -15.702 3.918 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -9.466 -15.291 2.081 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -8.760 -13.714 1.792 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -6.529 -14.907 1.399 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -7.418 -16.417 1.437 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -7.865 -14.110 -0.494 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -7.133 -15.656 -0.875 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -9.360 -15.754 -1.581 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -9.289 -16.695 -0.170 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -9.952 -15.133 -0.116 1.00 3.36 H new ATOM 847 N ASN A 175 -7.355 -13.132 6.092 1.00 1.04 N ATOM 848 CA ASN A 175 -6.677 -13.029 7.383 1.00 1.24 C ATOM 849 C ASN A 175 -7.311 -11.976 8.279 1.00 1.33 C ATOM 850 O ASN A 175 -7.552 -12.235 9.454 1.00 1.56 O ATOM 851 CB ASN A 175 -5.196 -12.709 7.204 1.00 1.47 C ATOM 852 CG ASN A 175 -4.399 -13.889 6.688 1.00 1.90 C ATOM 853 OD1 ASN A 175 -4.276 -14.094 5.480 1.00 2.65 O ATOM 854 ND2 ASN A 175 -3.833 -14.656 7.600 1.00 2.25 N ATOM 0 H ASN A 175 -6.952 -12.554 5.355 1.00 1.04 H new ATOM 0 HA ASN A 175 -6.782 -14.001 7.864 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -5.090 -11.874 6.511 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -4.781 -12.385 8.159 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -3.267 -15.455 7.314 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -3.961 -14.450 8.591 1.00 2.25 H new ATOM 861 N PHE A 176 -7.562 -10.798 7.686 1.00 1.30 N ATOM 862 CA PHE A 176 -8.176 -9.603 8.322 1.00 1.58 C ATOM 863 C PHE A 176 -7.463 -9.094 9.586 1.00 2.55 C ATOM 864 O PHE A 176 -7.427 -7.885 9.822 1.00 3.04 O ATOM 865 CB PHE A 176 -9.698 -9.756 8.555 1.00 1.55 C ATOM 866 CG PHE A 176 -10.123 -10.990 9.300 1.00 2.24 C ATOM 867 CD1 PHE A 176 -10.173 -11.003 10.685 1.00 2.73 C ATOM 868 CD2 PHE A 176 -10.472 -12.138 8.608 1.00 2.85 C ATOM 869 CE1 PHE A 176 -10.560 -12.141 11.362 1.00 3.72 C ATOM 870 CE2 PHE A 176 -10.859 -13.276 9.281 1.00 3.93 C ATOM 871 CZ PHE A 176 -10.905 -13.278 10.660 1.00 4.32 C ATOM 0 H PHE A 176 -7.335 -10.637 6.705 1.00 1.30 H new ATOM 0 HA PHE A 176 -8.030 -8.821 7.577 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -10.052 -8.883 9.103 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -10.198 -9.749 7.586 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -9.907 -10.115 11.239 1.00 2.73 H new ATOM 0 HD2 PHE A 176 -10.440 -12.141 7.528 1.00 2.85 H new ATOM 0 HE1 PHE A 176 -10.593 -12.142 12.441 1.00 3.72 H new ATOM 0 HE2 PHE A 176 -11.126 -14.166 8.730 1.00 3.93 H new ATOM 0 HZ PHE A 176 -11.211 -14.168 11.189 1.00 4.32 H new TER 881 PHE A 176 HETATM 882 ZN ZN A 190 -3.212 -10.947 -2.885 1.00 0.51 ZN HETATM 883 ZN ZN A 191 11.429 -4.358 -4.426 1.00 0.75 ZN