USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 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 195 ZNZN :(H bumps) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 169:sc= -0.0185 (180deg=-0.152) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 CYS SG : rot 170:sc= -1.97 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00766) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot -5:sc= 0.129 USER MOD Single : A 158 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00527) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ -163:sc= -0.0341 (180deg=-0.278) USER MOD Single : A 175 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 117 -5.897 -11.836 -5.513 1.00 0.00 N ATOM 2 CA ALA A 117 -4.694 -12.653 -5.225 1.00 0.00 C ATOM 3 C ALA A 117 -3.567 -12.257 -6.125 1.00 0.00 C ATOM 4 O ALA A 117 -3.693 -12.302 -7.349 1.00 0.00 O ATOM 5 CB ALA A 117 -4.998 -14.152 -5.421 1.00 0.00 C ATOM 0 HA ALA A 117 -4.407 -12.478 -4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.103 -14.736 -5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.799 -14.452 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.307 -14.329 -6.451 1.00 0.00 H new ATOM 11 N GLU A 118 -2.432 -11.840 -5.521 1.00 0.00 N ATOM 12 CA GLU A 118 -1.284 -11.394 -6.264 1.00 0.00 C ATOM 13 C GLU A 118 -0.144 -11.555 -5.304 1.00 0.00 C ATOM 14 O GLU A 118 0.013 -12.622 -4.710 1.00 0.00 O ATOM 15 CB GLU A 118 -1.448 -9.959 -6.843 1.00 0.00 C ATOM 16 CG GLU A 118 -0.663 -9.739 -8.147 1.00 0.00 C ATOM 17 CD GLU A 118 -0.764 -8.275 -8.574 1.00 0.00 C ATOM 18 OE1 GLU A 118 -0.273 -7.402 -7.809 1.00 0.00 O ATOM 19 OE2 GLU A 118 -1.328 -8.012 -9.669 1.00 0.00 O ATOM 0 H GLU A 118 -2.309 -11.812 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.119 -11.977 -7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.505 -9.767 -7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -1.116 -9.234 -6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 118 0.382 -10.014 -8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.057 -10.384 -8.932 1.00 0.00 H new ATOM 26 N LYS A 119 0.698 -10.514 -5.135 1.00 0.00 N ATOM 27 CA LYS A 119 1.865 -10.621 -4.312 1.00 0.00 C ATOM 28 C LYS A 119 2.050 -9.342 -3.570 1.00 0.00 C ATOM 29 O LYS A 119 1.588 -8.279 -3.986 1.00 0.00 O ATOM 30 CB LYS A 119 3.154 -10.988 -5.096 1.00 0.00 C ATOM 31 CG LYS A 119 3.778 -9.910 -6.006 1.00 0.00 C ATOM 32 CD LYS A 119 2.946 -9.455 -7.212 1.00 0.00 C ATOM 33 CE LYS A 119 3.701 -8.475 -8.120 1.00 0.00 C ATOM 34 NZ LYS A 119 2.857 -8.054 -9.262 1.00 0.00 N ATOM 0 H LYS A 119 0.569 -9.600 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 119 1.700 -11.448 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.910 -11.293 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.933 -11.859 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.996 -9.035 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.732 -10.287 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.650 -10.328 -7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.030 -8.983 -6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.004 -7.600 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.612 -8.945 -8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 3.389 -7.392 -9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.589 -8.889 -9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.999 -7.586 -8.906 1.00 0.00 H new ATOM 48 N CYS A 120 2.757 -9.450 -2.425 1.00 0.00 N ATOM 49 CA CYS A 120 3.169 -8.342 -1.612 1.00 0.00 C ATOM 50 C CYS A 120 4.593 -8.094 -2.023 1.00 0.00 C ATOM 51 O CYS A 120 5.427 -8.998 -1.997 1.00 0.00 O ATOM 52 CB CYS A 120 3.050 -8.695 -0.109 1.00 0.00 C ATOM 53 SG CYS A 120 3.630 -7.428 1.053 1.00 0.00 S ATOM 0 H CYS A 120 3.054 -10.351 -2.050 1.00 0.00 H new ATOM 0 HA CYS A 120 2.550 -7.456 -1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 120 2.005 -8.911 0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 120 3.610 -9.612 0.074 1.00 0.00 H new ATOM 58 N SER A 121 4.876 -6.847 -2.460 1.00 0.00 N ATOM 59 CA SER A 121 6.125 -6.476 -3.083 1.00 0.00 C ATOM 60 C SER A 121 7.076 -5.906 -2.066 1.00 0.00 C ATOM 61 O SER A 121 8.243 -5.669 -2.377 1.00 0.00 O ATOM 62 CB SER A 121 5.915 -5.405 -4.179 1.00 0.00 C ATOM 63 OG SER A 121 5.057 -5.900 -5.198 1.00 0.00 O ATOM 0 H SER A 121 4.219 -6.071 -2.379 1.00 0.00 H new ATOM 0 HA SER A 121 6.535 -7.383 -3.527 1.00 0.00 H new ATOM 0 HB2 SER A 121 5.486 -4.505 -3.739 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.876 -5.123 -4.609 1.00 0.00 H new ATOM 0 HG SER A 121 4.932 -5.211 -5.884 1.00 0.00 H new ATOM 69 N ARG A 122 6.599 -5.681 -0.818 1.00 0.00 N ATOM 70 CA ARG A 122 7.354 -5.033 0.227 1.00 0.00 C ATOM 71 C ARG A 122 8.298 -6.034 0.830 1.00 0.00 C ATOM 72 O ARG A 122 9.501 -5.784 0.908 1.00 0.00 O ATOM 73 CB ARG A 122 6.418 -4.489 1.333 1.00 0.00 C ATOM 74 CG ARG A 122 7.081 -3.816 2.556 1.00 0.00 C ATOM 75 CD ARG A 122 7.504 -2.348 2.372 1.00 0.00 C ATOM 76 NE ARG A 122 8.605 -2.224 1.360 1.00 0.00 N ATOM 77 CZ ARG A 122 9.930 -2.403 1.652 1.00 0.00 C ATOM 78 NH1 ARG A 122 10.346 -2.689 2.920 1.00 0.00 N ATOM 79 NH2 ARG A 122 10.851 -2.297 0.649 1.00 0.00 N ATOM 0 H ARG A 122 5.661 -5.958 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 122 7.902 -4.195 -0.203 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.741 -3.767 0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.806 -5.316 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.388 -3.871 3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.962 -4.395 2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.646 -1.756 2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.836 -1.940 3.327 1.00 0.00 H new ATOM 0 HE ARG A 122 8.351 -1.993 0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 122 9.664 -2.773 3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 122 11.339 -2.818 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 122 10.548 -2.087 -0.302 1.00 0.00 H new ATOM 0 HH22 ARG A 122 11.842 -2.428 0.851 1.00 0.00 H new ATOM 93 N CYS A 123 7.764 -7.204 1.251 1.00 0.00 N ATOM 94 CA CYS A 123 8.547 -8.243 1.874 1.00 0.00 C ATOM 95 C CYS A 123 9.078 -9.177 0.812 1.00 0.00 C ATOM 96 O CYS A 123 10.130 -9.788 1.000 1.00 0.00 O ATOM 97 CB CYS A 123 7.735 -9.036 2.936 1.00 0.00 C ATOM 98 SG CYS A 123 6.219 -9.830 2.306 1.00 0.00 S ATOM 0 H CYS A 123 6.774 -7.434 1.158 1.00 0.00 H new ATOM 0 HA CYS A 123 9.376 -7.769 2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 123 8.378 -9.804 3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 123 7.464 -8.358 3.745 1.00 0.00 H new ATOM 103 N GLY A 124 8.367 -9.281 -0.339 1.00 0.00 N ATOM 104 CA GLY A 124 8.793 -10.064 -1.473 1.00 0.00 C ATOM 105 C GLY A 124 7.947 -11.295 -1.606 1.00 0.00 C ATOM 106 O GLY A 124 7.766 -11.805 -2.712 1.00 0.00 O ATOM 0 H GLY A 124 7.474 -8.809 -0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 124 8.723 -9.467 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 124 9.840 -10.345 -1.356 1.00 0.00 H new ATOM 110 N ASP A 125 7.411 -11.810 -0.471 1.00 0.00 N ATOM 111 CA ASP A 125 6.634 -13.027 -0.418 1.00 0.00 C ATOM 112 C ASP A 125 5.242 -12.723 -0.911 1.00 0.00 C ATOM 113 O ASP A 125 4.728 -11.629 -0.693 1.00 0.00 O ATOM 114 CB ASP A 125 6.579 -13.598 1.027 1.00 0.00 C ATOM 115 CG ASP A 125 5.952 -14.995 1.088 1.00 0.00 C ATOM 116 OD1 ASP A 125 6.509 -15.922 0.440 1.00 0.00 O ATOM 117 OD2 ASP A 125 4.912 -15.150 1.781 1.00 0.00 O ATOM 0 H ASP A 125 7.522 -11.365 0.440 1.00 0.00 H new ATOM 0 HA ASP A 125 7.103 -13.782 -1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 125 7.589 -13.639 1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.007 -12.920 1.660 1.00 0.00 H new ATOM 122 N SER A 126 4.612 -13.699 -1.607 1.00 0.00 N ATOM 123 CA SER A 126 3.316 -13.527 -2.219 1.00 0.00 C ATOM 124 C SER A 126 2.242 -13.771 -1.201 1.00 0.00 C ATOM 125 O SER A 126 2.486 -14.408 -0.176 1.00 0.00 O ATOM 126 CB SER A 126 3.079 -14.494 -3.403 1.00 0.00 C ATOM 127 OG SER A 126 4.068 -14.305 -4.407 1.00 0.00 O ATOM 0 H SER A 126 5.010 -14.627 -1.748 1.00 0.00 H new ATOM 0 HA SER A 126 3.284 -12.506 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 126 3.104 -15.525 -3.049 1.00 0.00 H new ATOM 0 HB3 SER A 126 2.088 -14.326 -3.824 1.00 0.00 H new ATOM 0 HG SER A 126 3.905 -14.925 -5.148 1.00 0.00 H new ATOM 133 N VAL A 127 1.018 -13.254 -1.467 1.00 0.00 N ATOM 134 CA VAL A 127 -0.100 -13.486 -0.589 1.00 0.00 C ATOM 135 C VAL A 127 -1.331 -13.463 -1.450 1.00 0.00 C ATOM 136 O VAL A 127 -1.550 -12.550 -2.247 1.00 0.00 O ATOM 137 CB VAL A 127 -0.172 -12.546 0.616 1.00 0.00 C ATOM 138 CG1 VAL A 127 -0.343 -11.068 0.210 1.00 0.00 C ATOM 139 CG2 VAL A 127 -1.262 -13.023 1.596 1.00 0.00 C ATOM 0 H VAL A 127 0.804 -12.680 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 127 0.011 -14.456 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 127 0.787 -12.589 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.388 -10.448 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.503 -10.759 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -1.265 -10.951 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -1.305 -12.347 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -2.228 -13.031 1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -1.025 -14.029 1.942 1.00 0.00 H new ATOM 149 N TYR A 128 -2.149 -14.531 -1.316 1.00 0.00 N ATOM 150 CA TYR A 128 -3.321 -14.768 -2.116 1.00 0.00 C ATOM 151 C TYR A 128 -4.519 -14.305 -1.331 1.00 0.00 C ATOM 152 O TYR A 128 -5.267 -13.443 -1.788 1.00 0.00 O ATOM 153 CB TYR A 128 -3.468 -16.248 -2.600 1.00 0.00 C ATOM 154 CG TYR A 128 -3.348 -17.296 -1.512 1.00 0.00 C ATOM 155 CD1 TYR A 128 -2.094 -17.670 -0.997 1.00 0.00 C ATOM 156 CD2 TYR A 128 -4.500 -17.926 -1.004 1.00 0.00 C ATOM 157 CE1 TYR A 128 -1.994 -18.622 0.024 1.00 0.00 C ATOM 158 CE2 TYR A 128 -4.405 -18.875 0.020 1.00 0.00 C ATOM 159 CZ TYR A 128 -3.150 -19.223 0.538 1.00 0.00 C ATOM 160 OH TYR A 128 -3.051 -20.175 1.576 1.00 0.00 O ATOM 0 H TYR A 128 -1.987 -15.260 -0.621 1.00 0.00 H new ATOM 0 HA TYR A 128 -3.230 -14.198 -3.040 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -4.437 -16.360 -3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.708 -16.444 -3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -1.197 -17.217 -1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -5.469 -17.674 -1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -1.025 -18.893 0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -5.298 -19.339 0.411 1.00 0.00 H new ATOM 0 HH TYR A 128 -3.947 -20.492 1.816 1.00 0.00 H new ATOM 170 N ALA A 129 -4.712 -14.872 -0.123 1.00 0.00 N ATOM 171 CA ALA A 129 -5.837 -14.581 0.722 1.00 0.00 C ATOM 172 C ALA A 129 -5.515 -15.123 2.088 1.00 0.00 C ATOM 173 O ALA A 129 -6.414 -15.346 2.897 1.00 0.00 O ATOM 174 CB ALA A 129 -7.138 -15.253 0.232 1.00 0.00 C ATOM 0 H ALA A 129 -4.068 -15.553 0.279 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.004 -13.504 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -7.955 -14.999 0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.374 -14.900 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.004 -16.335 0.214 1.00 0.00 H new ATOM 180 N ALA A 130 -4.208 -15.350 2.377 1.00 0.00 N ATOM 181 CA ALA A 130 -3.750 -15.959 3.603 1.00 0.00 C ATOM 182 C ALA A 130 -3.735 -14.922 4.693 1.00 0.00 C ATOM 183 O ALA A 130 -4.669 -14.848 5.490 1.00 0.00 O ATOM 184 CB ALA A 130 -2.351 -16.593 3.454 1.00 0.00 C ATOM 0 H ALA A 130 -3.450 -15.103 1.740 1.00 0.00 H new ATOM 0 HA ALA A 130 -4.439 -16.764 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -2.050 -17.038 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.381 -17.364 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -1.632 -15.825 3.169 1.00 0.00 H new ATOM 190 N GLU A 131 -2.674 -14.081 4.733 1.00 0.00 N ATOM 191 CA GLU A 131 -2.547 -12.988 5.668 1.00 0.00 C ATOM 192 C GLU A 131 -2.766 -11.732 4.868 1.00 0.00 C ATOM 193 O GLU A 131 -2.000 -10.773 4.961 1.00 0.00 O ATOM 194 CB GLU A 131 -1.158 -12.918 6.359 1.00 0.00 C ATOM 195 CG GLU A 131 -0.875 -14.044 7.379 1.00 0.00 C ATOM 196 CD GLU A 131 -0.644 -15.393 6.697 1.00 0.00 C ATOM 197 OE1 GLU A 131 0.297 -15.486 5.865 1.00 0.00 O ATOM 198 OE2 GLU A 131 -1.406 -16.350 7.004 1.00 0.00 O ATOM 0 H GLU A 131 -1.881 -14.163 4.097 1.00 0.00 H new ATOM 0 HA GLU A 131 -3.271 -13.122 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -0.386 -12.943 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -1.071 -11.958 6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 131 0.002 -13.783 7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -1.714 -14.126 8.070 1.00 0.00 H new ATOM 205 N LYS A 132 -3.847 -11.719 4.051 1.00 0.00 N ATOM 206 CA LYS A 132 -4.178 -10.607 3.201 1.00 0.00 C ATOM 207 C LYS A 132 -5.115 -9.709 3.951 1.00 0.00 C ATOM 208 O LYS A 132 -6.109 -10.156 4.522 1.00 0.00 O ATOM 209 CB LYS A 132 -4.845 -11.051 1.884 1.00 0.00 C ATOM 210 CG LYS A 132 -5.220 -9.900 0.936 1.00 0.00 C ATOM 211 CD LYS A 132 -5.639 -10.410 -0.446 1.00 0.00 C ATOM 212 CE LYS A 132 -6.235 -9.320 -1.346 1.00 0.00 C ATOM 213 NZ LYS A 132 -6.543 -9.857 -2.691 1.00 0.00 N ATOM 0 H LYS A 132 -4.503 -12.497 3.981 1.00 0.00 H new ATOM 0 HA LYS A 132 -3.255 -10.092 2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -4.171 -11.729 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -5.746 -11.617 2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -6.035 -9.322 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -4.371 -9.225 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -4.772 -10.845 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -6.370 -11.209 -0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -7.143 -8.923 -0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -5.533 -8.490 -1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -6.945 -9.102 -3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -5.671 -10.214 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -7.230 -10.633 -2.606 1.00 0.00 H new ATOM 227 N VAL A 133 -4.794 -8.400 3.933 1.00 0.00 N ATOM 228 CA VAL A 133 -5.645 -7.328 4.369 1.00 0.00 C ATOM 229 C VAL A 133 -5.630 -6.380 3.205 1.00 0.00 C ATOM 230 O VAL A 133 -4.746 -6.440 2.351 1.00 0.00 O ATOM 231 CB VAL A 133 -5.198 -6.637 5.652 1.00 0.00 C ATOM 232 CG1 VAL A 133 -5.524 -7.559 6.845 1.00 0.00 C ATOM 233 CG2 VAL A 133 -3.697 -6.292 5.602 1.00 0.00 C ATOM 0 H VAL A 133 -3.890 -8.070 3.595 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.635 -7.702 4.631 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.733 -5.694 5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -5.210 -7.079 7.772 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.597 -7.745 6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -4.995 -8.505 6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.406 -5.800 6.530 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.117 -7.207 5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -3.505 -5.625 4.762 1.00 0.00 H new ATOM 243 N ILE A 134 -6.660 -5.510 3.124 1.00 0.00 N ATOM 244 CA ILE A 134 -6.899 -4.679 1.971 1.00 0.00 C ATOM 245 C ILE A 134 -6.814 -3.259 2.455 1.00 0.00 C ATOM 246 O ILE A 134 -7.329 -2.920 3.519 1.00 0.00 O ATOM 247 CB ILE A 134 -8.252 -4.978 1.319 1.00 0.00 C ATOM 248 CG1 ILE A 134 -8.282 -6.461 0.856 1.00 0.00 C ATOM 249 CG2 ILE A 134 -8.509 -4.008 0.146 1.00 0.00 C ATOM 250 CD1 ILE A 134 -9.606 -6.905 0.226 1.00 0.00 C ATOM 0 H ILE A 134 -7.341 -5.379 3.872 1.00 0.00 H new ATOM 0 HA ILE A 134 -6.160 -4.872 1.193 1.00 0.00 H new ATOM 0 HB ILE A 134 -9.052 -4.828 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -7.480 -6.619 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -8.070 -7.100 1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -9.474 -4.233 -0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -8.512 -2.983 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -7.722 -4.123 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -9.536 -7.953 -0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -10.412 -6.784 0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -9.813 -6.295 -0.653 1.00 0.00 H new ATOM 262 N GLY A 135 -6.142 -2.399 1.652 1.00 0.00 N ATOM 263 CA GLY A 135 -6.036 -0.981 1.875 1.00 0.00 C ATOM 264 C GLY A 135 -7.022 -0.343 0.952 1.00 0.00 C ATOM 265 O GLY A 135 -8.021 0.222 1.396 1.00 0.00 O ATOM 0 H GLY A 135 -5.652 -2.707 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.256 -0.732 2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -5.025 -0.628 1.670 1.00 0.00 H new ATOM 269 N ALA A 136 -6.755 -0.443 -0.373 1.00 0.00 N ATOM 270 CA ALA A 136 -7.638 0.033 -1.406 1.00 0.00 C ATOM 271 C ALA A 136 -8.264 -1.172 -2.046 1.00 0.00 C ATOM 272 O ALA A 136 -9.458 -1.415 -1.880 1.00 0.00 O ATOM 273 CB ALA A 136 -6.909 0.860 -2.479 1.00 0.00 C ATOM 0 H ALA A 136 -5.901 -0.867 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 136 -8.380 0.693 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.625 1.192 -3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.442 1.728 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -6.143 0.246 -2.953 1.00 0.00 H new ATOM 279 N GLY A 137 -7.460 -1.965 -2.789 1.00 0.00 N ATOM 280 CA GLY A 137 -7.959 -3.142 -3.448 1.00 0.00 C ATOM 281 C GLY A 137 -6.800 -3.871 -4.047 1.00 0.00 C ATOM 282 O GLY A 137 -6.831 -4.226 -5.224 1.00 0.00 O ATOM 0 H GLY A 137 -6.465 -1.791 -2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -8.484 -3.781 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -8.677 -2.869 -4.222 1.00 0.00 H new ATOM 286 N LYS A 138 -5.742 -4.116 -3.237 1.00 0.00 N ATOM 287 CA LYS A 138 -4.582 -4.855 -3.670 1.00 0.00 C ATOM 288 C LYS A 138 -4.027 -5.545 -2.441 1.00 0.00 C ATOM 289 O LYS A 138 -4.322 -5.097 -1.334 1.00 0.00 O ATOM 290 CB LYS A 138 -3.496 -3.995 -4.387 1.00 0.00 C ATOM 291 CG LYS A 138 -2.934 -2.770 -3.639 1.00 0.00 C ATOM 292 CD LYS A 138 -3.818 -1.510 -3.710 1.00 0.00 C ATOM 293 CE LYS A 138 -3.169 -0.235 -3.151 1.00 0.00 C ATOM 294 NZ LYS A 138 -1.952 0.139 -3.908 1.00 0.00 N ATOM 0 H LYS A 138 -5.691 -3.797 -2.269 1.00 0.00 H new ATOM 0 HA LYS A 138 -4.885 -5.569 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -2.660 -4.650 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -3.915 -3.647 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -2.788 -3.036 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -1.952 -2.531 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -4.093 -1.335 -4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -4.742 -1.700 -3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -3.887 0.585 -3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -2.913 -0.387 -2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -1.649 1.093 -3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -1.192 -0.540 -3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -2.160 0.127 -4.927 1.00 0.00 H new ATOM 308 N PRO A 139 -3.255 -6.635 -2.550 1.00 0.00 N ATOM 309 CA PRO A 139 -2.815 -7.417 -1.402 1.00 0.00 C ATOM 310 C PRO A 139 -1.758 -6.714 -0.594 1.00 0.00 C ATOM 311 O PRO A 139 -0.888 -6.055 -1.160 1.00 0.00 O ATOM 312 CB PRO A 139 -2.263 -8.727 -1.984 1.00 0.00 C ATOM 313 CG PRO A 139 -2.025 -8.438 -3.463 1.00 0.00 C ATOM 314 CD PRO A 139 -3.088 -7.395 -3.791 1.00 0.00 C ATOM 0 HA PRO A 139 -3.645 -7.582 -0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -1.339 -9.020 -1.486 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -2.970 -9.546 -1.851 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -1.019 -8.058 -3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -2.140 -9.335 -4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -2.771 -6.750 -4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -4.023 -7.864 -4.097 1.00 0.00 H new ATOM 322 N TRP A 140 -1.872 -6.846 0.744 1.00 0.00 N ATOM 323 CA TRP A 140 -1.024 -6.213 1.713 1.00 0.00 C ATOM 324 C TRP A 140 -0.982 -7.148 2.876 1.00 0.00 C ATOM 325 O TRP A 140 -1.986 -7.766 3.215 1.00 0.00 O ATOM 326 CB TRP A 140 -1.548 -4.868 2.269 1.00 0.00 C ATOM 327 CG TRP A 140 -1.678 -3.769 1.245 1.00 0.00 C ATOM 328 CD1 TRP A 140 -2.816 -3.218 0.732 1.00 0.00 C ATOM 329 CD2 TRP A 140 -0.578 -3.051 0.664 1.00 0.00 C ATOM 330 NE1 TRP A 140 -2.505 -2.184 -0.117 1.00 0.00 N ATOM 331 CE2 TRP A 140 -1.132 -2.066 -0.178 1.00 0.00 C ATOM 332 CE3 TRP A 140 0.800 -3.179 0.814 1.00 0.00 C ATOM 333 CZ2 TRP A 140 -0.314 -1.185 -0.876 1.00 0.00 C ATOM 334 CZ3 TRP A 140 1.623 -2.278 0.122 1.00 0.00 C ATOM 335 CH2 TRP A 140 1.070 -1.286 -0.700 1.00 0.00 C ATOM 0 H TRP A 140 -2.594 -7.425 1.172 1.00 0.00 H new ATOM 0 HA TRP A 140 -0.072 -6.004 1.224 1.00 0.00 H new ATOM 0 HB2 TRP A 140 -2.523 -5.035 2.728 1.00 0.00 H new ATOM 0 HB3 TRP A 140 -0.877 -4.532 3.060 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -3.819 -3.548 0.961 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -3.176 -1.602 -0.618 1.00 0.00 H new ATOM 0 HE3 TRP A 140 1.222 -3.948 1.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -0.736 -0.442 -1.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.696 -2.349 0.224 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.723 -0.589 -1.205 1.00 0.00 H new ATOM 346 N HIS A 141 0.200 -7.279 3.520 1.00 0.00 N ATOM 347 CA HIS A 141 0.291 -7.825 4.849 1.00 0.00 C ATOM 348 C HIS A 141 0.096 -6.659 5.767 1.00 0.00 C ATOM 349 O HIS A 141 0.317 -5.508 5.389 1.00 0.00 O ATOM 350 CB HIS A 141 1.621 -8.505 5.220 1.00 0.00 C ATOM 351 CG HIS A 141 1.907 -9.715 4.386 1.00 0.00 C ATOM 352 ND1 HIS A 141 2.951 -9.813 3.503 1.00 0.00 N ATOM 353 CD2 HIS A 141 1.254 -10.899 4.372 1.00 0.00 C ATOM 354 CE1 HIS A 141 2.921 -11.030 2.972 1.00 0.00 C ATOM 355 NE2 HIS A 141 1.904 -11.707 3.483 1.00 0.00 N ATOM 0 H HIS A 141 1.097 -7.005 3.118 1.00 0.00 H new ATOM 0 HA HIS A 141 -0.452 -8.619 4.925 1.00 0.00 H new ATOM 0 HB2 HIS A 141 2.435 -7.789 5.104 1.00 0.00 H new ATOM 0 HB3 HIS A 141 1.596 -8.792 6.271 1.00 0.00 H new ATOM 0 HD2 HIS A 141 0.382 -11.157 4.955 1.00 0.00 H new ATOM 0 HE1 HIS A 141 3.617 -11.408 2.238 1.00 0.00 H new ATOM 0 HE2 HIS A 141 1.650 -12.667 3.252 1.00 0.00 H new ATOM 363 N LYS A 142 -0.383 -6.946 6.994 1.00 0.00 N ATOM 364 CA LYS A 142 -0.736 -5.957 7.978 1.00 0.00 C ATOM 365 C LYS A 142 0.459 -5.300 8.633 1.00 0.00 C ATOM 366 O LYS A 142 0.287 -4.420 9.472 1.00 0.00 O ATOM 367 CB LYS A 142 -1.688 -6.509 9.075 1.00 0.00 C ATOM 368 CG LYS A 142 -1.111 -7.559 10.050 1.00 0.00 C ATOM 369 CD LYS A 142 -0.843 -8.951 9.449 1.00 0.00 C ATOM 370 CE LYS A 142 -0.447 -9.992 10.503 1.00 0.00 C ATOM 371 NZ LYS A 142 -0.196 -11.311 9.878 1.00 0.00 N ATOM 0 H LYS A 142 -0.531 -7.902 7.316 1.00 0.00 H new ATOM 0 HA LYS A 142 -1.266 -5.194 7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -2.050 -5.666 9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -2.554 -6.948 8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -0.177 -7.174 10.459 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -1.802 -7.671 10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -1.736 -9.293 8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -0.049 -8.873 8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 142 0.447 -9.659 11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -1.240 -10.082 11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 0.070 -11.998 10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -1.058 -11.636 9.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 0.576 -11.226 9.187 1.00 0.00 H new ATOM 385 N ASN A 143 1.690 -5.712 8.249 1.00 0.00 N ATOM 386 CA ASN A 143 2.938 -5.137 8.688 1.00 0.00 C ATOM 387 C ASN A 143 3.536 -4.380 7.522 1.00 0.00 C ATOM 388 O ASN A 143 4.293 -3.431 7.712 1.00 0.00 O ATOM 389 CB ASN A 143 3.916 -6.259 9.137 1.00 0.00 C ATOM 390 CG ASN A 143 5.196 -5.704 9.783 1.00 0.00 C ATOM 391 OD1 ASN A 143 6.289 -5.831 9.219 1.00 0.00 O ATOM 392 ND2 ASN A 143 5.038 -5.083 10.991 1.00 0.00 N ATOM 0 H ASN A 143 1.822 -6.486 7.598 1.00 0.00 H new ATOM 0 HA ASN A 143 2.767 -4.470 9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 143 3.410 -6.914 9.846 1.00 0.00 H new ATOM 0 HB3 ASN A 143 4.184 -6.869 8.274 1.00 0.00 H new ATOM 0 HD21 ASN A 143 5.848 -4.695 11.475 1.00 0.00 H new ATOM 0 HD22 ASN A 143 4.110 -5.008 11.408 1.00 0.00 H new ATOM 399 N CYS A 144 3.212 -4.816 6.283 1.00 0.00 N ATOM 400 CA CYS A 144 3.854 -4.408 5.057 1.00 0.00 C ATOM 401 C CYS A 144 3.108 -3.298 4.342 1.00 0.00 C ATOM 402 O CYS A 144 3.116 -3.269 3.113 1.00 0.00 O ATOM 403 CB CYS A 144 3.911 -5.580 4.043 1.00 0.00 C ATOM 404 SG CYS A 144 4.918 -7.016 4.509 1.00 0.00 S ATOM 0 H CYS A 144 2.462 -5.489 6.127 1.00 0.00 H new ATOM 0 HA CYS A 144 4.845 -4.070 5.360 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.892 -5.923 3.863 1.00 0.00 H new ATOM 0 HB3 CYS A 144 4.289 -5.193 3.097 1.00 0.00 H new ATOM 0 HG CYS A 144 4.699 -7.988 3.674 1.00 0.00 H new ATOM 409 N PHE A 145 2.428 -2.357 5.045 1.00 0.00 N ATOM 410 CA PHE A 145 1.602 -1.374 4.371 1.00 0.00 C ATOM 411 C PHE A 145 2.487 -0.266 3.873 1.00 0.00 C ATOM 412 O PHE A 145 2.840 0.631 4.629 1.00 0.00 O ATOM 413 CB PHE A 145 0.524 -0.738 5.289 1.00 0.00 C ATOM 414 CG PHE A 145 -0.760 -1.523 5.245 1.00 0.00 C ATOM 415 CD1 PHE A 145 -1.599 -1.400 4.126 1.00 0.00 C ATOM 416 CD2 PHE A 145 -1.179 -2.324 6.319 1.00 0.00 C ATOM 417 CE1 PHE A 145 -2.842 -2.041 4.086 1.00 0.00 C ATOM 418 CE2 PHE A 145 -2.424 -2.965 6.285 1.00 0.00 C ATOM 419 CZ PHE A 145 -3.255 -2.827 5.167 1.00 0.00 C ATOM 0 H PHE A 145 2.446 -2.274 6.061 1.00 0.00 H new ATOM 0 HA PHE A 145 1.086 -1.896 3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 145 0.893 -0.697 6.314 1.00 0.00 H new ATOM 0 HB3 PHE A 145 0.336 0.289 4.976 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -1.281 -0.802 3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -0.536 -2.447 7.178 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -3.481 -1.929 3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -2.743 -3.567 7.123 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.212 -3.326 5.139 1.00 0.00 H new ATOM 429 N ARG A 146 2.859 -0.299 2.570 1.00 0.00 N ATOM 430 CA ARG A 146 3.692 0.721 1.987 1.00 0.00 C ATOM 431 C ARG A 146 2.789 1.802 1.471 1.00 0.00 C ATOM 432 O ARG A 146 1.595 1.603 1.257 1.00 0.00 O ATOM 433 CB ARG A 146 4.587 0.240 0.811 1.00 0.00 C ATOM 434 CG ARG A 146 5.944 0.958 0.725 1.00 0.00 C ATOM 435 CD ARG A 146 6.657 0.773 -0.623 1.00 0.00 C ATOM 436 NE ARG A 146 6.842 -0.685 -0.917 1.00 0.00 N ATOM 437 CZ ARG A 146 7.442 -1.120 -2.067 1.00 0.00 C ATOM 438 NH1 ARG A 146 7.917 -0.235 -2.990 1.00 0.00 N ATOM 439 NH2 ARG A 146 7.568 -2.460 -2.295 1.00 0.00 N ATOM 0 H ARG A 146 2.581 -1.034 1.920 1.00 0.00 H new ATOM 0 HA ARG A 146 4.372 1.055 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 146 4.760 -0.831 0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 146 4.049 0.388 -0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 146 5.793 2.023 0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 146 6.591 0.590 1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 146 6.075 1.240 -1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 146 7.626 1.273 -0.602 1.00 0.00 H new ATOM 0 HE ARG A 146 6.511 -1.373 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 146 7.827 0.768 -2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 146 8.362 -0.576 -3.842 1.00 0.00 H new ATOM 0 HH21 ARG A 146 7.216 -3.129 -1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 146 8.014 -2.792 -3.150 1.00 0.00 H new ATOM 453 N CYS A 147 3.391 2.977 1.235 1.00 0.00 N ATOM 454 CA CYS A 147 2.837 4.086 0.519 1.00 0.00 C ATOM 455 C CYS A 147 3.047 3.781 -0.945 1.00 0.00 C ATOM 456 O CYS A 147 4.059 3.201 -1.330 1.00 0.00 O ATOM 457 CB CYS A 147 3.563 5.376 0.930 1.00 0.00 C ATOM 458 SG CYS A 147 2.936 6.846 0.101 1.00 0.00 S ATOM 0 H CYS A 147 4.336 3.168 1.569 1.00 0.00 H new ATOM 0 HA CYS A 147 1.778 4.231 0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 147 3.470 5.509 2.008 1.00 0.00 H new ATOM 0 HB3 CYS A 147 4.626 5.271 0.712 1.00 0.00 H new ATOM 463 N ALA A 148 2.052 4.116 -1.792 1.00 0.00 N ATOM 464 CA ALA A 148 2.067 3.774 -3.195 1.00 0.00 C ATOM 465 C ALA A 148 2.815 4.824 -3.970 1.00 0.00 C ATOM 466 O ALA A 148 3.365 4.531 -5.031 1.00 0.00 O ATOM 467 CB ALA A 148 0.652 3.638 -3.788 1.00 0.00 C ATOM 0 H ALA A 148 1.221 4.633 -1.503 1.00 0.00 H new ATOM 0 HA ALA A 148 2.561 2.806 -3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 148 0.724 3.380 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 148 0.110 2.854 -3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 148 0.120 4.583 -3.680 1.00 0.00 H new ATOM 473 N LYS A 149 2.865 6.073 -3.444 1.00 0.00 N ATOM 474 CA LYS A 149 3.507 7.184 -4.104 1.00 0.00 C ATOM 475 C LYS A 149 4.946 7.225 -3.677 1.00 0.00 C ATOM 476 O LYS A 149 5.835 7.009 -4.499 1.00 0.00 O ATOM 477 CB LYS A 149 2.806 8.537 -3.813 1.00 0.00 C ATOM 478 CG LYS A 149 3.123 9.674 -4.808 1.00 0.00 C ATOM 479 CD LYS A 149 4.400 10.489 -4.539 1.00 0.00 C ATOM 480 CE LYS A 149 4.297 11.377 -3.292 1.00 0.00 C ATOM 481 NZ LYS A 149 5.543 12.150 -3.081 1.00 0.00 N ATOM 0 H LYS A 149 2.452 6.315 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 149 3.436 7.034 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 149 1.728 8.374 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 149 3.087 8.864 -2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 149 3.198 9.242 -5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 149 2.277 10.361 -4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 149 5.242 9.806 -4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 149 4.614 11.114 -5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 149 3.455 12.061 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 149 4.097 10.758 -2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 5.445 12.741 -2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 6.341 11.495 -2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 5.719 12.757 -3.907 1.00 0.00 H new ATOM 495 N CYS A 150 5.209 7.517 -2.379 1.00 0.00 N ATOM 496 CA CYS A 150 6.536 7.860 -1.920 1.00 0.00 C ATOM 497 C CYS A 150 7.277 6.644 -1.408 1.00 0.00 C ATOM 498 O CYS A 150 8.507 6.616 -1.437 1.00 0.00 O ATOM 499 CB CYS A 150 6.530 9.052 -0.913 1.00 0.00 C ATOM 500 SG CYS A 150 6.098 8.735 0.834 1.00 0.00 S ATOM 0 H CYS A 150 4.501 7.516 -1.645 1.00 0.00 H new ATOM 0 HA CYS A 150 7.096 8.219 -2.783 1.00 0.00 H new ATOM 0 HB2 CYS A 150 7.523 9.502 -0.930 1.00 0.00 H new ATOM 0 HB3 CYS A 150 5.835 9.800 -1.293 1.00 0.00 H new ATOM 505 N GLY A 151 6.545 5.595 -0.961 1.00 0.00 N ATOM 506 CA GLY A 151 7.123 4.323 -0.587 1.00 0.00 C ATOM 507 C GLY A 151 7.555 4.247 0.842 1.00 0.00 C ATOM 508 O GLY A 151 8.257 3.308 1.214 1.00 0.00 O ATOM 0 H GLY A 151 5.531 5.629 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.395 3.535 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 151 7.983 4.124 -1.227 1.00 0.00 H new ATOM 512 N LYS A 152 7.165 5.237 1.685 1.00 0.00 N ATOM 513 CA LYS A 152 7.385 5.198 3.114 1.00 0.00 C ATOM 514 C LYS A 152 6.616 4.039 3.698 1.00 0.00 C ATOM 515 O LYS A 152 5.402 3.936 3.519 1.00 0.00 O ATOM 516 CB LYS A 152 6.910 6.500 3.802 1.00 0.00 C ATOM 517 CG LYS A 152 7.106 6.540 5.328 1.00 0.00 C ATOM 518 CD LYS A 152 6.607 7.853 5.954 1.00 0.00 C ATOM 519 CE LYS A 152 6.677 7.873 7.488 1.00 0.00 C ATOM 520 NZ LYS A 152 8.073 7.754 7.968 1.00 0.00 N ATOM 0 H LYS A 152 6.688 6.081 1.369 1.00 0.00 H new ATOM 0 HA LYS A 152 8.456 5.087 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 152 7.444 7.342 3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.852 6.643 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 152 6.576 5.702 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 152 8.164 6.411 5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 152 7.199 8.680 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 152 5.576 8.024 5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 152 6.240 8.799 7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 152 6.081 7.054 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 8.090 7.822 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 8.464 6.836 7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 8.646 8.520 7.561 1.00 0.00 H new ATOM 534 N SER A 153 7.339 3.120 4.384 1.00 0.00 N ATOM 535 CA SER A 153 6.780 1.895 4.898 1.00 0.00 C ATOM 536 C SER A 153 6.153 2.172 6.233 1.00 0.00 C ATOM 537 O SER A 153 6.695 2.914 7.051 1.00 0.00 O ATOM 538 CB SER A 153 7.806 0.736 4.999 1.00 0.00 C ATOM 539 OG SER A 153 8.959 1.095 5.754 1.00 0.00 O ATOM 0 H SER A 153 8.333 3.231 4.585 1.00 0.00 H new ATOM 0 HA SER A 153 6.029 1.553 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 153 7.329 -0.129 5.459 1.00 0.00 H new ATOM 0 HB3 SER A 153 8.111 0.436 3.996 1.00 0.00 H new ATOM 0 HG SER A 153 9.575 0.334 5.792 1.00 0.00 H new ATOM 545 N LEU A 154 4.952 1.591 6.437 1.00 0.00 N ATOM 546 CA LEU A 154 4.110 1.836 7.577 1.00 0.00 C ATOM 547 C LEU A 154 3.739 0.478 8.094 1.00 0.00 C ATOM 548 O LEU A 154 3.828 -0.521 7.374 1.00 0.00 O ATOM 549 CB LEU A 154 2.803 2.590 7.224 1.00 0.00 C ATOM 550 CG LEU A 154 2.993 3.823 6.305 1.00 0.00 C ATOM 551 CD1 LEU A 154 1.647 4.264 5.718 1.00 0.00 C ATOM 552 CD2 LEU A 154 3.713 5.004 6.979 1.00 0.00 C ATOM 0 H LEU A 154 4.549 0.922 5.781 1.00 0.00 H new ATOM 0 HA LEU A 154 4.645 2.460 8.293 1.00 0.00 H new ATOM 0 HB2 LEU A 154 2.119 1.894 6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 154 2.326 2.914 8.149 1.00 0.00 H new ATOM 0 HG LEU A 154 3.654 3.501 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 154 1.797 5.131 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 154 1.220 3.449 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 154 0.966 4.526 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 154 3.806 5.826 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 154 3.138 5.335 7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 154 4.705 4.689 7.302 1.00 0.00 H new ATOM 564 N GLU A 155 3.301 0.425 9.373 1.00 0.00 N ATOM 565 CA GLU A 155 2.976 -0.802 10.059 1.00 0.00 C ATOM 566 C GLU A 155 1.600 -1.222 9.613 1.00 0.00 C ATOM 567 O GLU A 155 1.479 -1.981 8.655 1.00 0.00 O ATOM 568 CB GLU A 155 3.108 -0.650 11.599 1.00 0.00 C ATOM 569 CG GLU A 155 3.285 -1.968 12.383 1.00 0.00 C ATOM 570 CD GLU A 155 1.980 -2.752 12.511 1.00 0.00 C ATOM 571 OE1 GLU A 155 1.034 -2.222 13.153 1.00 0.00 O ATOM 572 OE2 GLU A 155 1.916 -3.894 11.984 1.00 0.00 O ATOM 0 H GLU A 155 3.169 1.257 9.947 1.00 0.00 H new ATOM 0 HA GLU A 155 3.685 -1.589 9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 155 3.960 -0.004 11.811 1.00 0.00 H new ATOM 0 HB3 GLU A 155 2.220 -0.141 11.974 1.00 0.00 H new ATOM 0 HG2 GLU A 155 4.030 -2.587 11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 155 3.671 -1.746 13.378 1.00 0.00 H new ATOM 579 N SER A 156 0.535 -0.713 10.277 1.00 0.00 N ATOM 580 CA SER A 156 -0.841 -1.035 9.973 1.00 0.00 C ATOM 581 C SER A 156 -1.372 -0.001 9.007 1.00 0.00 C ATOM 582 O SER A 156 -0.602 0.696 8.348 1.00 0.00 O ATOM 583 CB SER A 156 -1.716 -1.123 11.254 1.00 0.00 C ATOM 584 OG SER A 156 -1.670 0.074 12.025 1.00 0.00 O ATOM 0 H SER A 156 0.632 -0.056 11.051 1.00 0.00 H new ATOM 0 HA SER A 156 -0.884 -2.022 9.514 1.00 0.00 H new ATOM 0 HB2 SER A 156 -2.748 -1.331 10.972 1.00 0.00 H new ATOM 0 HB3 SER A 156 -1.377 -1.959 11.866 1.00 0.00 H new ATOM 0 HG SER A 156 -2.236 -0.026 12.819 1.00 0.00 H new ATOM 590 N THR A 157 -2.721 0.110 8.906 1.00 0.00 N ATOM 591 CA THR A 157 -3.386 1.097 8.087 1.00 0.00 C ATOM 592 C THR A 157 -3.486 2.342 8.926 1.00 0.00 C ATOM 593 O THR A 157 -4.400 2.502 9.733 1.00 0.00 O ATOM 594 CB THR A 157 -4.771 0.677 7.614 1.00 0.00 C ATOM 595 OG1 THR A 157 -4.698 -0.582 6.960 1.00 0.00 O ATOM 596 CG2 THR A 157 -5.336 1.720 6.624 1.00 0.00 C ATOM 0 H THR A 157 -3.366 -0.502 9.406 1.00 0.00 H new ATOM 0 HA THR A 157 -2.808 1.244 7.175 1.00 0.00 H new ATOM 0 HB THR A 157 -5.425 0.606 8.483 1.00 0.00 H new ATOM 0 HG1 THR A 157 -3.761 -0.860 6.889 1.00 0.00 H new ATOM 0 HG21 THR A 157 -6.327 1.408 6.293 1.00 0.00 H new ATOM 0 HG22 THR A 157 -5.407 2.689 7.118 1.00 0.00 H new ATOM 0 HG23 THR A 157 -4.674 1.799 5.762 1.00 0.00 H new ATOM 604 N THR A 158 -2.496 3.242 8.746 1.00 0.00 N ATOM 605 CA THR A 158 -2.384 4.505 9.438 1.00 0.00 C ATOM 606 C THR A 158 -2.840 5.566 8.481 1.00 0.00 C ATOM 607 O THR A 158 -3.393 6.599 8.857 1.00 0.00 O ATOM 608 CB THR A 158 -0.949 4.768 9.876 1.00 0.00 C ATOM 609 OG1 THR A 158 -0.472 3.669 10.646 1.00 0.00 O ATOM 610 CG2 THR A 158 -0.857 6.051 10.729 1.00 0.00 C ATOM 0 H THR A 158 -1.734 3.085 8.086 1.00 0.00 H new ATOM 0 HA THR A 158 -2.994 4.499 10.341 1.00 0.00 H new ATOM 0 HB THR A 158 -0.340 4.894 8.980 1.00 0.00 H new ATOM 0 HG1 THR A 158 0.452 3.841 10.924 1.00 0.00 H new ATOM 0 HG21 THR A 158 0.178 6.215 11.028 1.00 0.00 H new ATOM 0 HG22 THR A 158 -1.205 6.902 10.144 1.00 0.00 H new ATOM 0 HG23 THR A 158 -1.479 5.943 11.618 1.00 0.00 H new ATOM 618 N LEU A 159 -2.598 5.279 7.195 1.00 0.00 N ATOM 619 CA LEU A 159 -2.745 6.159 6.074 1.00 0.00 C ATOM 620 C LEU A 159 -4.134 6.140 5.508 1.00 0.00 C ATOM 621 O LEU A 159 -4.977 5.333 5.898 1.00 0.00 O ATOM 622 CB LEU A 159 -1.734 5.831 4.950 1.00 0.00 C ATOM 623 CG LEU A 159 -1.886 4.502 4.157 1.00 0.00 C ATOM 624 CD1 LEU A 159 -0.814 4.458 3.049 1.00 0.00 C ATOM 625 CD2 LEU A 159 -1.850 3.210 5.000 1.00 0.00 C ATOM 0 H LEU A 159 -2.272 4.355 6.912 1.00 0.00 H new ATOM 0 HA LEU A 159 -2.543 7.159 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -1.768 6.648 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -0.738 5.837 5.393 1.00 0.00 H new ATOM 0 HG LEU A 159 -2.893 4.516 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -0.911 3.530 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -0.950 5.306 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 159 0.177 4.507 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -1.965 2.346 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.897 3.144 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -2.663 3.226 5.726 1.00 0.00 H new ATOM 637 N THR A 160 -4.375 7.072 4.555 1.00 0.00 N ATOM 638 CA THR A 160 -5.620 7.227 3.846 1.00 0.00 C ATOM 639 C THR A 160 -5.523 6.425 2.575 1.00 0.00 C ATOM 640 O THR A 160 -4.431 6.195 2.056 1.00 0.00 O ATOM 641 CB THR A 160 -5.950 8.683 3.525 1.00 0.00 C ATOM 642 OG1 THR A 160 -4.893 9.333 2.821 1.00 0.00 O ATOM 643 CG2 THR A 160 -6.207 9.430 4.851 1.00 0.00 C ATOM 0 H THR A 160 -3.669 7.749 4.266 1.00 0.00 H new ATOM 0 HA THR A 160 -6.429 6.871 4.484 1.00 0.00 H new ATOM 0 HB THR A 160 -6.831 8.698 2.883 1.00 0.00 H new ATOM 0 HG1 THR A 160 -5.146 10.261 2.634 1.00 0.00 H new ATOM 0 HG21 THR A 160 -6.445 10.473 4.641 1.00 0.00 H new ATOM 0 HG22 THR A 160 -7.043 8.966 5.374 1.00 0.00 H new ATOM 0 HG23 THR A 160 -5.315 9.380 5.476 1.00 0.00 H new ATOM 651 N GLU A 161 -6.693 5.980 2.058 1.00 0.00 N ATOM 652 CA GLU A 161 -6.779 5.209 0.845 1.00 0.00 C ATOM 653 C GLU A 161 -7.302 6.088 -0.250 1.00 0.00 C ATOM 654 O GLU A 161 -7.915 7.127 -0.008 1.00 0.00 O ATOM 655 CB GLU A 161 -7.615 3.906 0.986 1.00 0.00 C ATOM 656 CG GLU A 161 -9.084 4.058 1.433 1.00 0.00 C ATOM 657 CD GLU A 161 -9.990 4.489 0.278 1.00 0.00 C ATOM 658 OE1 GLU A 161 -10.044 3.750 -0.742 1.00 0.00 O ATOM 659 OE2 GLU A 161 -10.643 5.560 0.402 1.00 0.00 O ATOM 0 H GLU A 161 -7.598 6.160 2.493 1.00 0.00 H new ATOM 0 HA GLU A 161 -5.775 4.864 0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -7.605 3.392 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -7.110 3.256 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -9.440 3.111 1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -9.145 4.793 2.236 1.00 0.00 H new ATOM 666 N LYS A 162 -7.027 5.662 -1.498 1.00 0.00 N ATOM 667 CA LYS A 162 -7.460 6.285 -2.719 1.00 0.00 C ATOM 668 C LYS A 162 -7.943 5.117 -3.542 1.00 0.00 C ATOM 669 O LYS A 162 -7.799 3.966 -3.132 1.00 0.00 O ATOM 670 CB LYS A 162 -6.287 7.030 -3.406 1.00 0.00 C ATOM 671 CG LYS A 162 -6.663 7.955 -4.575 1.00 0.00 C ATOM 672 CD LYS A 162 -5.458 8.738 -5.115 1.00 0.00 C ATOM 673 CE LYS A 162 -5.768 9.585 -6.358 1.00 0.00 C ATOM 674 NZ LYS A 162 -6.763 10.640 -6.058 1.00 0.00 N ATOM 0 H LYS A 162 -6.465 4.828 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 162 -8.229 7.043 -2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -5.769 7.623 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -5.577 6.288 -3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -7.096 7.361 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -7.431 8.656 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -5.080 9.391 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -4.660 8.036 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -4.850 10.043 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -6.145 8.942 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -6.926 11.216 -6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -7.657 10.200 -5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -6.406 11.247 -5.292 1.00 0.00 H new ATOM 688 N GLU A 163 -8.549 5.370 -4.726 1.00 0.00 N ATOM 689 CA GLU A 163 -9.089 4.342 -5.582 1.00 0.00 C ATOM 690 C GLU A 163 -7.967 3.656 -6.320 1.00 0.00 C ATOM 691 O GLU A 163 -7.494 4.135 -7.351 1.00 0.00 O ATOM 692 CB GLU A 163 -10.121 4.899 -6.592 1.00 0.00 C ATOM 693 CG GLU A 163 -10.843 3.811 -7.409 1.00 0.00 C ATOM 694 CD GLU A 163 -11.885 4.458 -8.321 1.00 0.00 C ATOM 695 OE1 GLU A 163 -11.481 5.248 -9.215 1.00 0.00 O ATOM 696 OE2 GLU A 163 -13.098 4.168 -8.136 1.00 0.00 O ATOM 0 H GLU A 163 -8.667 6.312 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 163 -9.612 3.627 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -10.863 5.487 -6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -9.614 5.578 -7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -10.122 3.251 -8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -11.324 3.099 -6.739 1.00 0.00 H new ATOM 703 N GLY A 164 -7.510 2.507 -5.768 1.00 0.00 N ATOM 704 CA GLY A 164 -6.500 1.666 -6.355 1.00 0.00 C ATOM 705 C GLY A 164 -5.133 1.966 -5.813 1.00 0.00 C ATOM 706 O GLY A 164 -4.178 1.283 -6.180 1.00 0.00 O ATOM 0 H GLY A 164 -7.858 2.151 -4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -6.744 0.621 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -6.499 1.802 -7.437 1.00 0.00 H new ATOM 710 N GLU A 165 -4.993 3.000 -4.946 1.00 0.00 N ATOM 711 CA GLU A 165 -3.707 3.398 -4.416 1.00 0.00 C ATOM 712 C GLU A 165 -3.918 3.644 -2.957 1.00 0.00 C ATOM 713 O GLU A 165 -5.052 3.769 -2.510 1.00 0.00 O ATOM 714 CB GLU A 165 -3.112 4.695 -5.027 1.00 0.00 C ATOM 715 CG GLU A 165 -2.785 4.633 -6.535 1.00 0.00 C ATOM 716 CD GLU A 165 -4.032 4.826 -7.398 1.00 0.00 C ATOM 717 OE1 GLU A 165 -4.725 5.863 -7.218 1.00 0.00 O ATOM 718 OE2 GLU A 165 -4.302 3.946 -8.258 1.00 0.00 O ATOM 0 H GLU A 165 -5.774 3.564 -4.610 1.00 0.00 H new ATOM 0 HA GLU A 165 -2.999 2.604 -4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -3.816 5.510 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -2.200 4.945 -4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -2.052 5.402 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -2.328 3.671 -6.768 1.00 0.00 H new ATOM 725 N ILE A 166 -2.824 3.722 -2.165 1.00 0.00 N ATOM 726 CA ILE A 166 -2.886 4.168 -0.792 1.00 0.00 C ATOM 727 C ILE A 166 -1.701 5.087 -0.664 1.00 0.00 C ATOM 728 O ILE A 166 -0.605 4.726 -1.071 1.00 0.00 O ATOM 729 CB ILE A 166 -2.875 3.050 0.260 1.00 0.00 C ATOM 730 CG1 ILE A 166 -1.637 2.124 0.204 1.00 0.00 C ATOM 731 CG2 ILE A 166 -4.168 2.221 0.109 1.00 0.00 C ATOM 732 CD1 ILE A 166 -1.650 1.042 1.289 1.00 0.00 C ATOM 0 H ILE A 166 -1.885 3.474 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 166 -3.840 4.654 -0.587 1.00 0.00 H new ATOM 0 HB ILE A 166 -2.822 3.535 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 166 -1.590 1.648 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 166 -0.735 2.726 0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 166 -4.176 1.421 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 166 -5.034 2.866 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 166 -4.209 1.789 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 166 -0.756 0.425 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 166 -1.667 1.513 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 166 -2.536 0.418 1.170 1.00 0.00 H new ATOM 744 N TYR A 167 -1.891 6.325 -0.147 1.00 0.00 N ATOM 745 CA TYR A 167 -0.855 7.345 -0.118 1.00 0.00 C ATOM 746 C TYR A 167 -0.792 7.838 1.295 1.00 0.00 C ATOM 747 O TYR A 167 -1.824 7.911 1.960 1.00 0.00 O ATOM 748 CB TYR A 167 -1.137 8.614 -0.973 1.00 0.00 C ATOM 749 CG TYR A 167 -1.242 8.394 -2.463 1.00 0.00 C ATOM 750 CD1 TYR A 167 -0.574 7.361 -3.148 1.00 0.00 C ATOM 751 CD2 TYR A 167 -1.980 9.327 -3.213 1.00 0.00 C ATOM 752 CE1 TYR A 167 -0.655 7.262 -4.544 1.00 0.00 C ATOM 753 CE2 TYR A 167 -2.052 9.236 -4.606 1.00 0.00 C ATOM 754 CZ TYR A 167 -1.395 8.198 -5.275 1.00 0.00 C ATOM 755 OH TYR A 167 -1.466 8.108 -6.683 1.00 0.00 O ATOM 0 H TYR A 167 -2.776 6.629 0.259 1.00 0.00 H new ATOM 0 HA TYR A 167 0.046 6.876 -0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 167 -2.067 9.064 -0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 167 -0.344 9.338 -0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 167 0.006 6.638 -2.593 1.00 0.00 H new ATOM 0 HD2 TYR A 167 -2.499 10.126 -2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 167 -0.144 6.460 -5.057 1.00 0.00 H new ATOM 0 HE2 TYR A 167 -2.615 9.968 -5.166 1.00 0.00 H new ATOM 0 HH TYR A 167 -2.022 8.837 -7.030 1.00 0.00 H new ATOM 765 N CYS A 168 0.432 8.126 1.815 1.00 0.00 N ATOM 766 CA CYS A 168 0.622 8.244 3.241 1.00 0.00 C ATOM 767 C CYS A 168 0.425 9.658 3.690 1.00 0.00 C ATOM 768 O CYS A 168 0.326 10.574 2.878 1.00 0.00 O ATOM 769 CB CYS A 168 1.936 7.619 3.781 1.00 0.00 C ATOM 770 SG CYS A 168 3.482 8.512 3.441 1.00 0.00 S ATOM 0 H CYS A 168 1.274 8.274 1.258 1.00 0.00 H new ATOM 0 HA CYS A 168 -0.156 7.630 3.694 1.00 0.00 H new ATOM 0 HB2 CYS A 168 1.839 7.510 4.861 1.00 0.00 H new ATOM 0 HB3 CYS A 168 2.028 6.615 3.367 1.00 0.00 H new ATOM 775 N LYS A 169 0.343 9.836 5.027 1.00 0.00 N ATOM 776 CA LYS A 169 0.052 11.085 5.688 1.00 0.00 C ATOM 777 C LYS A 169 1.206 12.053 5.616 1.00 0.00 C ATOM 778 O LYS A 169 1.013 13.255 5.786 1.00 0.00 O ATOM 779 CB LYS A 169 -0.327 10.861 7.173 1.00 0.00 C ATOM 780 CG LYS A 169 0.739 10.128 8.007 1.00 0.00 C ATOM 781 CD LYS A 169 0.311 9.907 9.466 1.00 0.00 C ATOM 782 CE LYS A 169 1.390 9.198 10.295 1.00 0.00 C ATOM 783 NZ LYS A 169 0.954 9.024 11.700 1.00 0.00 N ATOM 0 H LYS A 169 0.487 9.069 5.684 1.00 0.00 H new ATOM 0 HA LYS A 169 -0.796 11.517 5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -0.526 11.829 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -1.256 10.292 7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 169 0.953 9.163 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 169 1.665 10.702 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 169 0.080 10.869 9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -0.605 9.316 9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 169 1.610 8.225 9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 169 2.314 9.776 10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 1.702 8.542 12.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 0.768 9.955 12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 0.086 8.452 11.726 1.00 0.00 H new ATOM 797 N GLY A 170 2.436 11.546 5.352 1.00 0.00 N ATOM 798 CA GLY A 170 3.640 12.339 5.312 1.00 0.00 C ATOM 799 C GLY A 170 3.745 13.075 4.011 1.00 0.00 C ATOM 800 O GLY A 170 4.111 14.249 3.990 1.00 0.00 O ATOM 0 H GLY A 170 2.597 10.557 5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 170 3.641 13.049 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 170 4.510 11.696 5.443 1.00 0.00 H new ATOM 804 N CYS A 171 3.422 12.387 2.889 1.00 0.00 N ATOM 805 CA CYS A 171 3.500 12.947 1.559 1.00 0.00 C ATOM 806 C CYS A 171 2.224 13.668 1.197 1.00 0.00 C ATOM 807 O CYS A 171 2.187 14.387 0.202 1.00 0.00 O ATOM 808 CB CYS A 171 3.830 11.885 0.481 1.00 0.00 C ATOM 809 SG CYS A 171 2.705 10.483 0.395 1.00 0.00 S ATOM 0 H CYS A 171 3.099 11.420 2.905 1.00 0.00 H new ATOM 0 HA CYS A 171 4.323 13.661 1.578 1.00 0.00 H new ATOM 0 HB2 CYS A 171 3.845 12.375 -0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 171 4.836 11.509 0.664 1.00 0.00 H new ATOM 814 N TYR A 172 1.154 13.505 2.013 1.00 0.00 N ATOM 815 CA TYR A 172 -0.110 14.184 1.843 1.00 0.00 C ATOM 816 C TYR A 172 0.012 15.548 2.477 1.00 0.00 C ATOM 817 O TYR A 172 -0.525 16.530 1.965 1.00 0.00 O ATOM 818 CB TYR A 172 -1.272 13.396 2.506 1.00 0.00 C ATOM 819 CG TYR A 172 -2.624 13.972 2.176 1.00 0.00 C ATOM 820 CD1 TYR A 172 -3.149 13.852 0.878 1.00 0.00 C ATOM 821 CD2 TYR A 172 -3.379 14.638 3.156 1.00 0.00 C ATOM 822 CE1 TYR A 172 -4.403 14.388 0.563 1.00 0.00 C ATOM 823 CE2 TYR A 172 -4.634 15.176 2.847 1.00 0.00 C ATOM 824 CZ TYR A 172 -5.148 15.052 1.548 1.00 0.00 C ATOM 825 OH TYR A 172 -6.414 15.595 1.234 1.00 0.00 O ATOM 0 H TYR A 172 1.168 12.880 2.819 1.00 0.00 H new ATOM 0 HA TYR A 172 -0.338 14.265 0.780 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -1.234 12.357 2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -1.135 13.395 3.587 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -2.579 13.341 0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -2.987 14.736 4.158 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -4.797 14.290 -0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -5.206 15.686 3.608 1.00 0.00 H new ATOM 0 HH TYR A 172 -6.795 16.019 2.031 1.00 0.00 H new ATOM 835 N ALA A 173 0.756 15.626 3.609 1.00 0.00 N ATOM 836 CA ALA A 173 1.011 16.843 4.343 1.00 0.00 C ATOM 837 C ALA A 173 2.004 17.704 3.609 1.00 0.00 C ATOM 838 O ALA A 173 1.964 18.929 3.712 1.00 0.00 O ATOM 839 CB ALA A 173 1.583 16.555 5.744 1.00 0.00 C ATOM 0 H ALA A 173 1.197 14.808 4.029 1.00 0.00 H new ATOM 0 HA ALA A 173 0.054 17.356 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 173 1.761 17.496 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 173 0.871 15.956 6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 173 2.522 16.009 5.649 1.00 0.00 H new ATOM 845 N LYS A 174 2.910 17.065 2.826 1.00 0.00 N ATOM 846 CA LYS A 174 3.901 17.730 2.016 1.00 0.00 C ATOM 847 C LYS A 174 3.219 18.334 0.816 1.00 0.00 C ATOM 848 O LYS A 174 3.370 19.524 0.542 1.00 0.00 O ATOM 849 CB LYS A 174 4.992 16.737 1.543 1.00 0.00 C ATOM 850 CG LYS A 174 6.127 17.301 0.662 1.00 0.00 C ATOM 851 CD LYS A 174 7.160 18.196 1.380 1.00 0.00 C ATOM 852 CE LYS A 174 6.805 19.688 1.500 1.00 0.00 C ATOM 853 NZ LYS A 174 6.620 20.312 0.168 1.00 0.00 N ATOM 0 H LYS A 174 2.953 16.048 2.755 1.00 0.00 H new ATOM 0 HA LYS A 174 4.382 18.505 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 174 5.443 16.285 2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 174 4.502 15.935 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 174 6.656 16.464 0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 174 5.679 17.876 -0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 174 7.316 17.800 2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 174 8.110 18.112 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 174 5.892 19.800 2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 174 7.596 20.209 2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 6.669 21.347 0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 7.369 19.986 -0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 5.692 20.042 -0.216 1.00 0.00 H new ATOM 867 N ASN A 175 2.420 17.513 0.094 1.00 0.00 N ATOM 868 CA ASN A 175 1.667 17.940 -1.057 1.00 0.00 C ATOM 869 C ASN A 175 0.370 18.581 -0.535 1.00 0.00 C ATOM 870 O ASN A 175 0.166 19.799 -0.785 1.00 0.00 O ATOM 871 CB ASN A 175 1.313 16.748 -1.985 1.00 0.00 C ATOM 872 CG ASN A 175 0.634 17.208 -3.285 1.00 0.00 C ATOM 873 OD1 ASN A 175 -0.550 16.925 -3.509 1.00 0.00 O ATOM 874 ND2 ASN A 175 1.414 17.927 -4.148 1.00 0.00 N ATOM 0 H ASN A 175 2.295 16.526 0.317 1.00 0.00 H new ATOM 0 HA ASN A 175 2.261 18.642 -1.642 1.00 0.00 H new ATOM 0 HB2 ASN A 175 2.221 16.196 -2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.653 16.061 -1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 175 1.025 18.260 -5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 175 2.385 18.130 -3.910 1.00 0.00 H new TER 881 ASN A 175 HETATM 882 ZN ZN A 195 4.615 -8.397 3.264 1.00 0.00 ZN HETATM 883 ZN ZN A 196 3.706 8.750 1.061 1.00 0.00 ZN