USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=18 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 Set 1.1: A 147 CYS SG : rot 139:sc= 1.16 USER MOD Set 1.2: A 168 CYS SG : rot -50:sc= -0.245 USER MOD Single : A 119 LYS NZ :NH3+ -166:sc= -0.108 (180deg=-0.453) 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+ 142:sc= -0.339 (180deg=-1.21) USER MOD Single : A 138 LYS NZ :NH3+ -177:sc= 0.24 (180deg=0.237) USER MOD Single : A 141 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.34) USER MOD Single : A 142 LYS NZ :NH3+ 178:sc= 0.00577 (180deg=0.00359) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0155) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot -23:sc= 0.21 USER MOD Single : A 157 THR OG1 : rot -29:sc= 0.254 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+ 172:sc= 0 (180deg=-0.0781) USER MOD Single : A 167 TYR OH : rot 36:sc= 0.245 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 117 -4.737 -11.986 -6.832 1.00 0.00 N ATOM 2 CA ALA A 117 -3.427 -12.062 -6.136 1.00 0.00 C ATOM 3 C ALA A 117 -2.471 -11.026 -6.646 1.00 0.00 C ATOM 4 O ALA A 117 -2.585 -10.545 -7.774 1.00 0.00 O ATOM 5 CB ALA A 117 -2.799 -13.459 -6.319 1.00 0.00 C ATOM 0 HA ALA A 117 -3.613 -11.876 -5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.840 -13.497 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.465 -14.215 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.648 -13.654 -7.381 1.00 0.00 H new ATOM 11 N GLU A 118 -1.493 -10.656 -5.794 1.00 0.00 N ATOM 12 CA GLU A 118 -0.478 -9.696 -6.137 1.00 0.00 C ATOM 13 C GLU A 118 0.652 -10.016 -5.217 1.00 0.00 C ATOM 14 O GLU A 118 0.446 -10.515 -4.115 1.00 0.00 O ATOM 15 CB GLU A 118 -0.929 -8.228 -5.911 1.00 0.00 C ATOM 16 CG GLU A 118 0.012 -7.152 -6.484 1.00 0.00 C ATOM 17 CD GLU A 118 -0.528 -5.766 -6.136 1.00 0.00 C ATOM 18 OE1 GLU A 118 -0.528 -5.422 -4.923 1.00 0.00 O ATOM 19 OE2 GLU A 118 -0.942 -5.033 -7.072 1.00 0.00 O ATOM 0 H GLU A 118 -1.404 -11.029 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 118 -0.226 -9.764 -7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.916 -8.097 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -1.036 -8.060 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.015 -7.276 -6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.092 -7.262 -7.565 1.00 0.00 H new ATOM 26 N LYS A 119 1.897 -9.740 -5.657 1.00 0.00 N ATOM 27 CA LYS A 119 3.057 -9.993 -4.851 1.00 0.00 C ATOM 28 C LYS A 119 3.252 -8.861 -3.883 1.00 0.00 C ATOM 29 O LYS A 119 2.942 -7.708 -4.182 1.00 0.00 O ATOM 30 CB LYS A 119 4.327 -10.228 -5.674 1.00 0.00 C ATOM 31 CG LYS A 119 5.231 -11.324 -5.089 1.00 0.00 C ATOM 32 CD LYS A 119 6.670 -11.348 -5.632 1.00 0.00 C ATOM 33 CE LYS A 119 7.665 -10.462 -4.858 1.00 0.00 C ATOM 34 NZ LYS A 119 7.387 -9.015 -5.015 1.00 0.00 N ATOM 0 H LYS A 119 2.101 -9.341 -6.573 1.00 0.00 H new ATOM 0 HA LYS A 119 2.877 -10.921 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.048 -10.501 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.890 -9.297 -5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.271 -11.200 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.771 -12.293 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.032 -12.376 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 119 6.656 -11.030 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.629 -10.722 -3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.677 -10.673 -5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.205 -8.466 -4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.213 -8.802 -6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.548 -8.760 -4.456 1.00 0.00 H new ATOM 48 N CYS A 120 3.771 -9.195 -2.683 1.00 0.00 N ATOM 49 CA CYS A 120 4.038 -8.250 -1.636 1.00 0.00 C ATOM 50 C CYS A 120 5.466 -7.812 -1.811 1.00 0.00 C ATOM 51 O CYS A 120 6.375 -8.636 -1.890 1.00 0.00 O ATOM 52 CB CYS A 120 3.826 -8.874 -0.238 1.00 0.00 C ATOM 53 SG CYS A 120 3.849 -7.661 1.107 1.00 0.00 S ATOM 0 H CYS A 120 4.013 -10.154 -2.433 1.00 0.00 H new ATOM 0 HA CYS A 120 3.352 -7.406 -1.700 1.00 0.00 H new ATOM 0 HB2 CYS A 120 2.872 -9.401 -0.225 1.00 0.00 H new ATOM 0 HB3 CYS A 120 4.603 -9.617 -0.059 1.00 0.00 H new ATOM 58 N SER A 121 5.669 -6.479 -1.907 1.00 0.00 N ATOM 59 CA SER A 121 6.938 -5.870 -2.226 1.00 0.00 C ATOM 60 C SER A 121 7.747 -5.613 -0.980 1.00 0.00 C ATOM 61 O SER A 121 8.954 -5.393 -1.064 1.00 0.00 O ATOM 62 CB SER A 121 6.758 -4.540 -3.006 1.00 0.00 C ATOM 63 OG SER A 121 5.909 -3.620 -2.326 1.00 0.00 O ATOM 0 H SER A 121 4.924 -5.798 -1.758 1.00 0.00 H new ATOM 0 HA SER A 121 7.473 -6.576 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 121 7.734 -4.080 -3.164 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.342 -4.753 -3.991 1.00 0.00 H new ATOM 0 HG SER A 121 5.827 -2.798 -2.854 1.00 0.00 H new ATOM 69 N ARG A 122 7.096 -5.634 0.209 1.00 0.00 N ATOM 70 CA ARG A 122 7.724 -5.287 1.461 1.00 0.00 C ATOM 71 C ARG A 122 8.528 -6.449 1.964 1.00 0.00 C ATOM 72 O ARG A 122 9.738 -6.335 2.155 1.00 0.00 O ATOM 73 CB ARG A 122 6.678 -4.907 2.535 1.00 0.00 C ATOM 74 CG ARG A 122 7.238 -4.570 3.932 1.00 0.00 C ATOM 75 CD ARG A 122 8.229 -3.397 3.951 1.00 0.00 C ATOM 76 NE ARG A 122 8.671 -3.152 5.365 1.00 0.00 N ATOM 77 CZ ARG A 122 9.689 -3.841 5.967 1.00 0.00 C ATOM 78 NH1 ARG A 122 10.386 -4.807 5.300 1.00 0.00 N ATOM 79 NH2 ARG A 122 10.013 -3.553 7.262 1.00 0.00 N ATOM 0 H ARG A 122 6.115 -5.897 0.303 1.00 0.00 H new ATOM 0 HA ARG A 122 8.368 -4.426 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 122 6.112 -4.048 2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.974 -5.733 2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.406 -4.338 4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.732 -5.454 4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.090 -3.621 3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.760 -2.502 3.543 1.00 0.00 H new ATOM 0 HE ARG A 122 8.187 -2.435 5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 122 10.152 -5.028 4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 122 11.141 -5.307 5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 122 9.499 -2.832 7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 122 10.769 -4.059 7.723 1.00 0.00 H new ATOM 93 N CYS A 123 7.856 -7.601 2.192 1.00 0.00 N ATOM 94 CA CYS A 123 8.453 -8.742 2.841 1.00 0.00 C ATOM 95 C CYS A 123 9.095 -9.631 1.803 1.00 0.00 C ATOM 96 O CYS A 123 10.061 -10.331 2.101 1.00 0.00 O ATOM 97 CB CYS A 123 7.429 -9.524 3.711 1.00 0.00 C ATOM 98 SG CYS A 123 6.001 -10.201 2.800 1.00 0.00 S ATOM 0 H CYS A 123 6.883 -7.744 1.922 1.00 0.00 H new ATOM 0 HA CYS A 123 9.221 -8.385 3.527 1.00 0.00 H new ATOM 0 HB2 CYS A 123 7.948 -10.345 4.206 1.00 0.00 H new ATOM 0 HB3 CYS A 123 7.060 -8.862 4.494 1.00 0.00 H new ATOM 103 N GLY A 124 8.584 -9.588 0.547 1.00 0.00 N ATOM 104 CA GLY A 124 9.198 -10.239 -0.586 1.00 0.00 C ATOM 105 C GLY A 124 8.522 -11.537 -0.905 1.00 0.00 C ATOM 106 O GLY A 124 8.929 -12.230 -1.837 1.00 0.00 O ATOM 0 H GLY A 124 7.725 -9.090 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 124 9.153 -9.581 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 124 10.253 -10.418 -0.377 1.00 0.00 H new ATOM 110 N ASP A 125 7.464 -11.899 -0.140 1.00 0.00 N ATOM 111 CA ASP A 125 6.707 -13.113 -0.346 1.00 0.00 C ATOM 112 C ASP A 125 5.550 -12.766 -1.235 1.00 0.00 C ATOM 113 O ASP A 125 5.264 -11.592 -1.454 1.00 0.00 O ATOM 114 CB ASP A 125 6.143 -13.705 0.970 1.00 0.00 C ATOM 115 CG ASP A 125 7.297 -14.046 1.915 1.00 0.00 C ATOM 116 OD1 ASP A 125 8.127 -14.918 1.542 1.00 0.00 O ATOM 117 OD2 ASP A 125 7.363 -13.441 3.017 1.00 0.00 O ATOM 0 H ASP A 125 7.125 -11.336 0.640 1.00 0.00 H new ATOM 0 HA ASP A 125 7.371 -13.861 -0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.471 -12.990 1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 125 5.558 -14.599 0.757 1.00 0.00 H new ATOM 122 N SER A 126 4.858 -13.794 -1.777 1.00 0.00 N ATOM 123 CA SER A 126 3.678 -13.610 -2.587 1.00 0.00 C ATOM 124 C SER A 126 2.505 -13.773 -1.666 1.00 0.00 C ATOM 125 O SER A 126 2.549 -14.583 -0.741 1.00 0.00 O ATOM 126 CB SER A 126 3.587 -14.635 -3.747 1.00 0.00 C ATOM 127 OG SER A 126 2.528 -14.330 -4.650 1.00 0.00 O ATOM 0 H SER A 126 5.121 -14.772 -1.652 1.00 0.00 H new ATOM 0 HA SER A 126 3.703 -12.626 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 126 4.532 -14.652 -4.290 1.00 0.00 H new ATOM 0 HB3 SER A 126 3.437 -15.634 -3.337 1.00 0.00 H new ATOM 0 HG SER A 126 2.506 -14.998 -5.366 1.00 0.00 H new ATOM 133 N VAL A 127 1.430 -12.985 -1.905 1.00 0.00 N ATOM 134 CA VAL A 127 0.217 -13.083 -1.136 1.00 0.00 C ATOM 135 C VAL A 127 -0.889 -13.288 -2.137 1.00 0.00 C ATOM 136 O VAL A 127 -0.781 -12.899 -3.298 1.00 0.00 O ATOM 137 CB VAL A 127 0.008 -11.890 -0.203 1.00 0.00 C ATOM 138 CG1 VAL A 127 -0.372 -10.600 -0.959 1.00 0.00 C ATOM 139 CG2 VAL A 127 -1.006 -12.258 0.894 1.00 0.00 C ATOM 0 H VAL A 127 1.402 -12.275 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 127 0.251 -13.923 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 127 0.960 -11.663 0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.508 -9.787 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.423 -10.340 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -1.300 -10.760 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -1.151 -11.405 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -1.957 -12.527 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -0.629 -13.103 1.469 1.00 0.00 H new ATOM 149 N TYR A 128 -1.974 -13.961 -1.702 1.00 0.00 N ATOM 150 CA TYR A 128 -3.107 -14.276 -2.530 1.00 0.00 C ATOM 151 C TYR A 128 -4.286 -13.955 -1.661 1.00 0.00 C ATOM 152 O TYR A 128 -4.764 -12.821 -1.659 1.00 0.00 O ATOM 153 CB TYR A 128 -3.117 -15.734 -3.106 1.00 0.00 C ATOM 154 CG TYR A 128 -2.544 -16.800 -2.189 1.00 0.00 C ATOM 155 CD1 TYR A 128 -1.152 -16.942 -2.036 1.00 0.00 C ATOM 156 CD2 TYR A 128 -3.388 -17.698 -1.509 1.00 0.00 C ATOM 157 CE1 TYR A 128 -0.618 -17.921 -1.189 1.00 0.00 C ATOM 158 CE2 TYR A 128 -2.860 -18.677 -0.660 1.00 0.00 C ATOM 159 CZ TYR A 128 -1.474 -18.787 -0.496 1.00 0.00 C ATOM 160 OH TYR A 128 -0.939 -19.771 0.367 1.00 0.00 O ATOM 0 H TYR A 128 -2.068 -14.298 -0.744 1.00 0.00 H new ATOM 0 HA TYR A 128 -3.101 -13.695 -3.452 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -4.145 -16.003 -3.350 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.555 -15.742 -4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -0.487 -16.287 -2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -4.457 -17.631 -1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 128 0.452 -18.008 -1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -3.521 -19.347 -0.131 1.00 0.00 H new ATOM 0 HH TYR A 128 -1.670 -20.286 0.769 1.00 0.00 H new ATOM 170 N ALA A 129 -4.756 -14.945 -0.878 1.00 0.00 N ATOM 171 CA ALA A 129 -5.753 -14.775 0.141 1.00 0.00 C ATOM 172 C ALA A 129 -5.220 -15.535 1.319 1.00 0.00 C ATOM 173 O ALA A 129 -5.933 -16.317 1.947 1.00 0.00 O ATOM 174 CB ALA A 129 -7.126 -15.338 -0.271 1.00 0.00 C ATOM 0 H ALA A 129 -4.428 -15.907 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.922 -13.718 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -7.841 -15.182 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.475 -14.826 -1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.036 -16.405 -0.474 1.00 0.00 H new ATOM 180 N ALA A 130 -3.922 -15.309 1.640 1.00 0.00 N ATOM 181 CA ALA A 130 -3.225 -15.978 2.708 1.00 0.00 C ATOM 182 C ALA A 130 -3.473 -15.198 3.969 1.00 0.00 C ATOM 183 O ALA A 130 -4.428 -15.480 4.692 1.00 0.00 O ATOM 184 CB ALA A 130 -1.712 -16.099 2.432 1.00 0.00 C ATOM 0 H ALA A 130 -3.340 -14.638 1.138 1.00 0.00 H new ATOM 0 HA ALA A 130 -3.599 -16.998 2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.230 -16.610 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -1.554 -16.669 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -1.282 -15.104 2.319 1.00 0.00 H new ATOM 190 N GLU A 131 -2.624 -14.178 4.243 1.00 0.00 N ATOM 191 CA GLU A 131 -2.797 -13.267 5.347 1.00 0.00 C ATOM 192 C GLU A 131 -3.066 -11.925 4.716 1.00 0.00 C ATOM 193 O GLU A 131 -2.471 -10.909 5.074 1.00 0.00 O ATOM 194 CB GLU A 131 -1.538 -13.225 6.255 1.00 0.00 C ATOM 195 CG GLU A 131 -1.759 -12.597 7.648 1.00 0.00 C ATOM 196 CD GLU A 131 -2.726 -13.454 8.463 1.00 0.00 C ATOM 197 OE1 GLU A 131 -2.367 -14.625 8.766 1.00 0.00 O ATOM 198 OE2 GLU A 131 -3.833 -12.955 8.796 1.00 0.00 O ATOM 0 H GLU A 131 -1.795 -13.982 3.682 1.00 0.00 H new ATOM 0 HA GLU A 131 -3.614 -13.577 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -1.169 -14.242 6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -0.756 -12.666 5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -0.807 -12.511 8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -2.157 -11.588 7.542 1.00 0.00 H new ATOM 205 N LYS A 132 -3.990 -11.908 3.726 1.00 0.00 N ATOM 206 CA LYS A 132 -4.273 -10.746 2.927 1.00 0.00 C ATOM 207 C LYS A 132 -5.418 -10.009 3.549 1.00 0.00 C ATOM 208 O LYS A 132 -6.449 -10.592 3.883 1.00 0.00 O ATOM 209 CB LYS A 132 -4.604 -11.125 1.462 1.00 0.00 C ATOM 210 CG LYS A 132 -4.749 -9.953 0.472 1.00 0.00 C ATOM 211 CD LYS A 132 -6.163 -9.366 0.279 1.00 0.00 C ATOM 212 CE LYS A 132 -7.057 -10.120 -0.723 1.00 0.00 C ATOM 213 NZ LYS A 132 -7.519 -11.426 -0.201 1.00 0.00 N ATOM 0 H LYS A 132 -4.553 -12.721 3.476 1.00 0.00 H new ATOM 0 HA LYS A 132 -3.387 -10.111 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -3.821 -11.789 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -5.533 -11.695 1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -4.091 -9.149 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -4.385 -10.285 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -6.666 -9.346 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -6.067 -8.332 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -7.922 -9.504 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -6.505 -10.278 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -8.501 -11.592 -0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -6.910 -12.183 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -7.471 -11.421 0.838 1.00 0.00 H new ATOM 227 N VAL A 133 -5.233 -8.679 3.700 1.00 0.00 N ATOM 228 CA VAL A 133 -6.244 -7.734 4.085 1.00 0.00 C ATOM 229 C VAL A 133 -6.246 -6.721 2.975 1.00 0.00 C ATOM 230 O VAL A 133 -5.257 -6.566 2.257 1.00 0.00 O ATOM 231 CB VAL A 133 -5.992 -7.055 5.429 1.00 0.00 C ATOM 232 CG1 VAL A 133 -6.188 -8.103 6.544 1.00 0.00 C ATOM 233 CG2 VAL A 133 -4.586 -6.421 5.492 1.00 0.00 C ATOM 0 H VAL A 133 -4.326 -8.239 3.544 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.199 -8.241 4.224 1.00 0.00 H new ATOM 0 HB VAL A 133 -6.701 -6.238 5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -6.013 -7.639 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -7.207 -8.489 6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.484 -8.922 6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -4.444 -5.947 6.463 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.831 -7.195 5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.489 -5.672 4.706 1.00 0.00 H new ATOM 243 N ILE A 134 -7.387 -6.021 2.795 1.00 0.00 N ATOM 244 CA ILE A 134 -7.557 -5.036 1.754 1.00 0.00 C ATOM 245 C ILE A 134 -7.541 -3.713 2.465 1.00 0.00 C ATOM 246 O ILE A 134 -8.154 -3.554 3.520 1.00 0.00 O ATOM 247 CB ILE A 134 -8.851 -5.227 0.962 1.00 0.00 C ATOM 248 CG1 ILE A 134 -8.862 -6.644 0.327 1.00 0.00 C ATOM 249 CG2 ILE A 134 -8.988 -4.119 -0.108 1.00 0.00 C ATOM 250 CD1 ILE A 134 -10.139 -6.983 -0.447 1.00 0.00 C ATOM 0 H ILE A 134 -8.211 -6.139 3.384 1.00 0.00 H new ATOM 0 HA ILE A 134 -6.766 -5.117 1.008 1.00 0.00 H new ATOM 0 HB ILE A 134 -9.709 -5.146 1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -8.010 -6.733 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -8.723 -7.383 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -9.913 -4.265 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -9.007 -3.144 0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -8.140 -4.167 -0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -10.060 -7.990 -0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -10.996 -6.930 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -10.271 -6.270 -1.261 1.00 0.00 H new ATOM 262 N GLY A 135 -6.813 -2.735 1.880 1.00 0.00 N ATOM 263 CA GLY A 135 -6.716 -1.391 2.377 1.00 0.00 C ATOM 264 C GLY A 135 -7.551 -0.559 1.464 1.00 0.00 C ATOM 265 O GLY A 135 -8.682 -0.203 1.794 1.00 0.00 O ATOM 0 H GLY A 135 -6.272 -2.888 1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -7.076 -1.327 3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -5.681 -1.049 2.381 1.00 0.00 H new ATOM 269 N ALA A 136 -6.998 -0.249 0.271 1.00 0.00 N ATOM 270 CA ALA A 136 -7.691 0.465 -0.770 1.00 0.00 C ATOM 271 C ALA A 136 -8.364 -0.548 -1.648 1.00 0.00 C ATOM 272 O ALA A 136 -9.591 -0.593 -1.724 1.00 0.00 O ATOM 273 CB ALA A 136 -6.741 1.303 -1.642 1.00 0.00 C ATOM 0 H ALA A 136 -6.042 -0.501 0.022 1.00 0.00 H new ATOM 0 HA ALA A 136 -8.400 1.148 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.314 1.821 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.226 2.034 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -6.009 0.649 -2.115 1.00 0.00 H new ATOM 279 N GLY A 137 -7.557 -1.389 -2.329 1.00 0.00 N ATOM 280 CA GLY A 137 -8.078 -2.359 -3.251 1.00 0.00 C ATOM 281 C GLY A 137 -7.045 -3.415 -3.490 1.00 0.00 C ATOM 282 O GLY A 137 -7.379 -4.511 -3.937 1.00 0.00 O ATOM 0 H GLY A 137 -6.541 -1.397 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -8.987 -2.807 -2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -8.347 -1.877 -4.191 1.00 0.00 H new ATOM 286 N LYS A 138 -5.754 -3.108 -3.210 1.00 0.00 N ATOM 287 CA LYS A 138 -4.658 -3.992 -3.528 1.00 0.00 C ATOM 288 C LYS A 138 -4.405 -4.928 -2.363 1.00 0.00 C ATOM 289 O LYS A 138 -4.760 -4.589 -1.235 1.00 0.00 O ATOM 290 CB LYS A 138 -3.343 -3.233 -3.822 1.00 0.00 C ATOM 291 CG LYS A 138 -3.468 -2.256 -5.004 1.00 0.00 C ATOM 292 CD LYS A 138 -2.119 -1.725 -5.522 1.00 0.00 C ATOM 293 CE LYS A 138 -1.317 -0.940 -4.478 1.00 0.00 C ATOM 294 NZ LYS A 138 -0.056 -0.411 -5.048 1.00 0.00 N ATOM 0 H LYS A 138 -5.468 -2.239 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 138 -4.948 -4.538 -4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -3.041 -2.682 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -2.553 -3.953 -4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -3.988 -2.755 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -4.087 -1.412 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -1.519 -2.566 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -2.299 -1.083 -6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -1.920 -0.115 -4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -1.091 -1.586 -3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 0.486 0.071 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 0.507 -1.196 -5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -0.275 0.264 -5.808 1.00 0.00 H new ATOM 308 N PRO A 139 -3.791 -6.095 -2.576 1.00 0.00 N ATOM 309 CA PRO A 139 -3.377 -6.992 -1.507 1.00 0.00 C ATOM 310 C PRO A 139 -2.294 -6.418 -0.628 1.00 0.00 C ATOM 311 O PRO A 139 -1.395 -5.751 -1.139 1.00 0.00 O ATOM 312 CB PRO A 139 -2.851 -8.224 -2.248 1.00 0.00 C ATOM 313 CG PRO A 139 -3.749 -8.294 -3.478 1.00 0.00 C ATOM 314 CD PRO A 139 -3.889 -6.817 -3.850 1.00 0.00 C ATOM 0 HA PRO A 139 -4.206 -7.197 -0.829 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -1.801 -8.113 -2.520 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -2.929 -9.125 -1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -3.297 -8.876 -4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -4.713 -8.752 -3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -3.105 -6.508 -4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -4.842 -6.622 -4.342 1.00 0.00 H new ATOM 322 N TRP A 140 -2.403 -6.662 0.696 1.00 0.00 N ATOM 323 CA TRP A 140 -1.519 -6.134 1.701 1.00 0.00 C ATOM 324 C TRP A 140 -1.496 -7.144 2.800 1.00 0.00 C ATOM 325 O TRP A 140 -2.525 -7.720 3.134 1.00 0.00 O ATOM 326 CB TRP A 140 -1.998 -4.807 2.349 1.00 0.00 C ATOM 327 CG TRP A 140 -2.125 -3.644 1.393 1.00 0.00 C ATOM 328 CD1 TRP A 140 -3.257 -2.985 1.005 1.00 0.00 C ATOM 329 CD2 TRP A 140 -1.035 -3.032 0.682 1.00 0.00 C ATOM 330 NE1 TRP A 140 -2.955 -2.009 0.086 1.00 0.00 N ATOM 331 CE2 TRP A 140 -1.592 -2.021 -0.130 1.00 0.00 C ATOM 332 CE3 TRP A 140 0.334 -3.285 0.682 1.00 0.00 C ATOM 333 CZ2 TRP A 140 -0.785 -1.247 -0.954 1.00 0.00 C ATOM 334 CZ3 TRP A 140 1.147 -2.504 -0.152 1.00 0.00 C ATOM 335 CH2 TRP A 140 0.593 -1.503 -0.963 1.00 0.00 C ATOM 0 H TRP A 140 -3.139 -7.253 1.084 1.00 0.00 H new ATOM 0 HA TRP A 140 -0.561 -5.935 1.221 1.00 0.00 H new ATOM 0 HB2 TRP A 140 -2.965 -4.978 2.821 1.00 0.00 H new ATOM 0 HB3 TRP A 140 -1.301 -4.534 3.141 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -4.250 -3.201 1.370 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -3.624 -1.382 -0.361 1.00 0.00 H new ATOM 0 HE3 TRP A 140 0.757 -4.059 1.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -1.208 -0.468 -1.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.213 -2.676 -0.170 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.238 -0.921 -1.604 1.00 0.00 H new ATOM 346 N HIS A 141 -0.310 -7.371 3.412 1.00 0.00 N ATOM 347 CA HIS A 141 -0.225 -7.992 4.713 1.00 0.00 C ATOM 348 C HIS A 141 -0.367 -6.856 5.681 1.00 0.00 C ATOM 349 O HIS A 141 -0.092 -5.708 5.337 1.00 0.00 O ATOM 350 CB HIS A 141 1.099 -8.715 5.030 1.00 0.00 C ATOM 351 CG HIS A 141 1.404 -9.861 4.112 1.00 0.00 C ATOM 352 ND1 HIS A 141 2.568 -9.989 3.393 1.00 0.00 N ATOM 353 CD2 HIS A 141 0.709 -11.011 3.957 1.00 0.00 C ATOM 354 CE1 HIS A 141 2.561 -11.186 2.821 1.00 0.00 C ATOM 355 NE2 HIS A 141 1.450 -11.825 3.149 1.00 0.00 N ATOM 0 H HIS A 141 0.593 -7.125 3.006 1.00 0.00 H new ATOM 0 HA HIS A 141 -0.988 -8.769 4.767 1.00 0.00 H new ATOM 0 HB2 HIS A 141 1.916 -7.995 4.979 1.00 0.00 H new ATOM 0 HB3 HIS A 141 1.063 -9.084 6.055 1.00 0.00 H new ATOM 0 HD2 HIS A 141 -0.252 -11.242 4.391 1.00 0.00 H new ATOM 0 HE1 HIS A 141 3.342 -11.578 2.186 1.00 0.00 H new ATOM 0 HE2 HIS A 141 1.191 -12.765 2.850 1.00 0.00 H new ATOM 363 N LYS A 142 -0.850 -7.148 6.907 1.00 0.00 N ATOM 364 CA LYS A 142 -1.173 -6.151 7.901 1.00 0.00 C ATOM 365 C LYS A 142 0.035 -5.564 8.594 1.00 0.00 C ATOM 366 O LYS A 142 -0.111 -4.689 9.443 1.00 0.00 O ATOM 367 CB LYS A 142 -2.178 -6.685 8.947 1.00 0.00 C ATOM 368 CG LYS A 142 -1.723 -7.966 9.666 1.00 0.00 C ATOM 369 CD LYS A 142 -2.733 -8.495 10.702 1.00 0.00 C ATOM 370 CE LYS A 142 -4.128 -8.833 10.147 1.00 0.00 C ATOM 371 NZ LYS A 142 -4.054 -9.813 9.038 1.00 0.00 N ATOM 0 H LYS A 142 -1.022 -8.103 7.221 1.00 0.00 H new ATOM 0 HA LYS A 142 -1.640 -5.341 7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -2.357 -5.909 9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -3.130 -6.878 8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -1.540 -8.742 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -0.774 -7.773 10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -2.318 -9.390 11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -2.844 -7.750 11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -4.750 -9.235 10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -4.610 -7.921 9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -5.015 -10.042 8.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -3.509 -9.406 8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -3.586 -10.680 9.371 1.00 0.00 H new ATOM 385 N ASN A 143 1.256 -6.025 8.235 1.00 0.00 N ATOM 386 CA ASN A 143 2.510 -5.475 8.693 1.00 0.00 C ATOM 387 C ASN A 143 3.133 -4.707 7.545 1.00 0.00 C ATOM 388 O ASN A 143 4.008 -3.868 7.751 1.00 0.00 O ATOM 389 CB ASN A 143 3.468 -6.616 9.134 1.00 0.00 C ATOM 390 CG ASN A 143 4.720 -6.073 9.844 1.00 0.00 C ATOM 391 OD1 ASN A 143 4.616 -5.457 10.911 1.00 0.00 O ATOM 392 ND2 ASN A 143 5.916 -6.309 9.224 1.00 0.00 N ATOM 0 H ASN A 143 1.376 -6.814 7.599 1.00 0.00 H new ATOM 0 HA ASN A 143 2.338 -4.819 9.546 1.00 0.00 H new ATOM 0 HB2 ASN A 143 2.939 -7.296 9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 143 3.769 -7.195 8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 143 6.783 -5.970 9.642 1.00 0.00 H new ATOM 0 HD22 ASN A 143 5.941 -6.824 8.344 1.00 0.00 H new ATOM 399 N CYS A 144 2.700 -5.010 6.300 1.00 0.00 N ATOM 400 CA CYS A 144 3.371 -4.644 5.077 1.00 0.00 C ATOM 401 C CYS A 144 2.657 -3.546 4.319 1.00 0.00 C ATOM 402 O CYS A 144 2.689 -3.551 3.090 1.00 0.00 O ATOM 403 CB CYS A 144 3.471 -5.849 4.111 1.00 0.00 C ATOM 404 SG CYS A 144 4.455 -7.265 4.709 1.00 0.00 S ATOM 0 H CYS A 144 1.841 -5.535 6.137 1.00 0.00 H new ATOM 0 HA CYS A 144 4.356 -4.298 5.390 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.462 -6.199 3.890 1.00 0.00 H new ATOM 0 HB3 CYS A 144 3.901 -5.503 3.171 1.00 0.00 H new ATOM 409 N PHE A 145 1.981 -2.576 4.990 1.00 0.00 N ATOM 410 CA PHE A 145 1.274 -1.523 4.278 1.00 0.00 C ATOM 411 C PHE A 145 2.277 -0.494 3.825 1.00 0.00 C ATOM 412 O PHE A 145 2.605 0.416 4.575 1.00 0.00 O ATOM 413 CB PHE A 145 0.222 -0.753 5.134 1.00 0.00 C ATOM 414 CG PHE A 145 -1.135 -1.413 5.125 1.00 0.00 C ATOM 415 CD1 PHE A 145 -1.329 -2.721 5.597 1.00 0.00 C ATOM 416 CD2 PHE A 145 -2.253 -0.698 4.654 1.00 0.00 C ATOM 417 CE1 PHE A 145 -2.599 -3.311 5.560 1.00 0.00 C ATOM 418 CE2 PHE A 145 -3.521 -1.285 4.613 1.00 0.00 C ATOM 419 CZ PHE A 145 -3.695 -2.598 5.063 1.00 0.00 C ATOM 0 H PHE A 145 1.921 -2.517 6.007 1.00 0.00 H new ATOM 0 HA PHE A 145 0.748 -2.022 3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 145 0.579 -0.681 6.161 1.00 0.00 H new ATOM 0 HB3 PHE A 145 0.128 0.265 4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -0.492 -3.277 5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -2.129 0.321 4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -2.733 -4.321 5.917 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -4.364 -0.726 4.235 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.671 -3.059 5.027 1.00 0.00 H new ATOM 429 N ARG A 146 2.778 -0.593 2.571 1.00 0.00 N ATOM 430 CA ARG A 146 3.625 0.433 2.015 1.00 0.00 C ATOM 431 C ARG A 146 2.726 1.332 1.238 1.00 0.00 C ATOM 432 O ARG A 146 1.757 0.885 0.629 1.00 0.00 O ATOM 433 CB ARG A 146 4.722 -0.059 1.044 1.00 0.00 C ATOM 434 CG ARG A 146 5.720 -1.027 1.694 1.00 0.00 C ATOM 435 CD ARG A 146 6.782 -1.553 0.717 1.00 0.00 C ATOM 436 NE ARG A 146 7.598 -0.408 0.198 1.00 0.00 N ATOM 437 CZ ARG A 146 8.596 -0.583 -0.721 1.00 0.00 C ATOM 438 NH1 ARG A 146 8.903 -1.824 -1.197 1.00 0.00 N ATOM 439 NH2 ARG A 146 9.294 0.502 -1.167 1.00 0.00 N ATOM 0 H ARG A 146 2.598 -1.378 1.945 1.00 0.00 H new ATOM 0 HA ARG A 146 4.150 0.899 2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 146 4.250 -0.552 0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 146 5.264 0.802 0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 146 6.217 -0.523 2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 146 5.174 -1.871 2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 146 7.427 -2.274 1.219 1.00 0.00 H new ATOM 0 HD3 ARG A 146 6.302 -2.076 -0.111 1.00 0.00 H new ATOM 0 HE ARG A 146 7.403 0.532 0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 146 8.385 -2.639 -0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 146 9.650 -1.937 -1.882 1.00 0.00 H new ATOM 0 HH21 ARG A 146 9.070 1.433 -0.815 1.00 0.00 H new ATOM 0 HH22 ARG A 146 10.040 0.382 -1.852 1.00 0.00 H new ATOM 453 N CYS A 147 3.048 2.641 1.228 1.00 0.00 N ATOM 454 CA CYS A 147 2.375 3.632 0.470 1.00 0.00 C ATOM 455 C CYS A 147 2.767 3.458 -0.984 1.00 0.00 C ATOM 456 O CYS A 147 3.905 3.095 -1.281 1.00 0.00 O ATOM 457 CB CYS A 147 2.684 5.037 1.022 1.00 0.00 C ATOM 458 SG CYS A 147 4.230 5.762 0.467 1.00 0.00 S ATOM 0 H CYS A 147 3.819 3.018 1.780 1.00 0.00 H new ATOM 0 HA CYS A 147 1.294 3.519 0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 147 1.869 5.705 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 147 2.697 4.986 2.111 1.00 0.00 H new ATOM 0 HG CYS A 147 4.050 7.023 0.209 1.00 0.00 H new ATOM 463 N ALA A 148 1.814 3.649 -1.917 1.00 0.00 N ATOM 464 CA ALA A 148 2.035 3.383 -3.319 1.00 0.00 C ATOM 465 C ALA A 148 2.791 4.490 -4.022 1.00 0.00 C ATOM 466 O ALA A 148 3.064 4.368 -5.215 1.00 0.00 O ATOM 467 CB ALA A 148 0.709 3.158 -4.066 1.00 0.00 C ATOM 0 H ALA A 148 0.877 3.992 -1.703 1.00 0.00 H new ATOM 0 HA ALA A 148 2.642 2.478 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 148 0.913 2.961 -5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 148 0.187 2.306 -3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 148 0.086 4.048 -3.978 1.00 0.00 H new ATOM 473 N LYS A 149 3.151 5.594 -3.313 1.00 0.00 N ATOM 474 CA LYS A 149 3.808 6.732 -3.918 1.00 0.00 C ATOM 475 C LYS A 149 5.263 6.708 -3.545 1.00 0.00 C ATOM 476 O LYS A 149 6.100 6.378 -4.385 1.00 0.00 O ATOM 477 CB LYS A 149 3.172 8.077 -3.497 1.00 0.00 C ATOM 478 CG LYS A 149 2.094 8.608 -4.458 1.00 0.00 C ATOM 479 CD LYS A 149 2.593 9.624 -5.502 1.00 0.00 C ATOM 480 CE LYS A 149 3.545 9.050 -6.559 1.00 0.00 C ATOM 481 NZ LYS A 149 3.909 10.086 -7.554 1.00 0.00 N ATOM 0 H LYS A 149 2.985 5.697 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 149 3.689 6.655 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 149 2.731 7.961 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 149 3.961 8.824 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 149 1.647 7.762 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 149 1.303 9.073 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 149 1.730 10.056 -6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 149 3.099 10.438 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 149 4.445 8.670 -6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 149 3.072 8.206 -7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 4.554 9.678 -8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 3.049 10.430 -8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 4.380 10.879 -7.073 1.00 0.00 H new ATOM 495 N CYS A 150 5.609 7.074 -2.284 1.00 0.00 N ATOM 496 CA CYS A 150 6.979 7.362 -1.913 1.00 0.00 C ATOM 497 C CYS A 150 7.677 6.146 -1.356 1.00 0.00 C ATOM 498 O CYS A 150 8.895 6.157 -1.182 1.00 0.00 O ATOM 499 CB CYS A 150 7.120 8.594 -0.960 1.00 0.00 C ATOM 500 SG CYS A 150 6.656 8.441 0.815 1.00 0.00 S ATOM 0 H CYS A 150 4.940 7.171 -1.520 1.00 0.00 H new ATOM 0 HA CYS A 150 7.483 7.640 -2.839 1.00 0.00 H new ATOM 0 HB2 CYS A 150 8.161 8.915 -0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 150 6.522 9.401 -1.383 1.00 0.00 H new ATOM 505 N GLY A 151 6.920 5.055 -1.100 1.00 0.00 N ATOM 506 CA GLY A 151 7.457 3.778 -0.706 1.00 0.00 C ATOM 507 C GLY A 151 7.657 3.665 0.775 1.00 0.00 C ATOM 508 O GLY A 151 8.300 2.715 1.220 1.00 0.00 O ATOM 0 H GLY A 151 5.902 5.061 -1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.784 2.988 -1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 151 8.410 3.618 -1.210 1.00 0.00 H new ATOM 512 N LYS A 152 7.130 4.625 1.586 1.00 0.00 N ATOM 513 CA LYS A 152 7.288 4.597 3.027 1.00 0.00 C ATOM 514 C LYS A 152 6.516 3.438 3.604 1.00 0.00 C ATOM 515 O LYS A 152 5.321 3.293 3.353 1.00 0.00 O ATOM 516 CB LYS A 152 6.801 5.899 3.703 1.00 0.00 C ATOM 517 CG LYS A 152 7.042 5.958 5.222 1.00 0.00 C ATOM 518 CD LYS A 152 6.566 7.274 5.855 1.00 0.00 C ATOM 519 CE LYS A 152 6.719 7.318 7.383 1.00 0.00 C ATOM 520 NZ LYS A 152 8.141 7.222 7.787 1.00 0.00 N ATOM 0 H LYS A 152 6.594 5.422 1.242 1.00 0.00 H new ATOM 0 HA LYS A 152 8.355 4.491 3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 152 7.303 6.746 3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.734 6.015 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 152 6.526 5.125 5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 152 8.106 5.830 5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 152 7.128 8.100 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 152 5.518 7.431 5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 152 6.292 8.245 7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 152 6.156 6.499 7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 8.216 7.323 8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 8.522 6.298 7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 8.685 7.978 7.325 1.00 0.00 H new ATOM 534 N SER A 153 7.220 2.574 4.376 1.00 0.00 N ATOM 535 CA SER A 153 6.669 1.367 4.942 1.00 0.00 C ATOM 536 C SER A 153 5.992 1.694 6.242 1.00 0.00 C ATOM 537 O SER A 153 6.490 2.486 7.040 1.00 0.00 O ATOM 538 CB SER A 153 7.719 0.245 5.147 1.00 0.00 C ATOM 539 OG SER A 153 8.835 0.674 5.920 1.00 0.00 O ATOM 0 H SER A 153 8.201 2.720 4.613 1.00 0.00 H new ATOM 0 HA SER A 153 5.948 0.975 4.225 1.00 0.00 H new ATOM 0 HB2 SER A 153 7.246 -0.605 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 153 8.068 -0.103 4.175 1.00 0.00 H new ATOM 0 HG SER A 153 9.467 -0.068 6.022 1.00 0.00 H new ATOM 545 N LEU A 154 4.799 1.092 6.438 1.00 0.00 N ATOM 546 CA LEU A 154 3.911 1.371 7.538 1.00 0.00 C ATOM 547 C LEU A 154 3.419 0.019 7.974 1.00 0.00 C ATOM 548 O LEU A 154 3.577 -0.969 7.254 1.00 0.00 O ATOM 549 CB LEU A 154 2.678 2.231 7.138 1.00 0.00 C ATOM 550 CG LEU A 154 2.981 3.406 6.172 1.00 0.00 C ATOM 551 CD1 LEU A 154 1.713 3.856 5.434 1.00 0.00 C ATOM 552 CD2 LEU A 154 3.673 4.601 6.850 1.00 0.00 C ATOM 0 H LEU A 154 4.436 0.380 5.804 1.00 0.00 H new ATOM 0 HA LEU A 154 4.439 1.938 8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 154 1.937 1.581 6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 154 2.226 2.634 8.044 1.00 0.00 H new ATOM 0 HG LEU A 154 3.694 3.016 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 154 1.955 4.681 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 154 1.314 3.023 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 154 0.968 4.184 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 154 3.853 5.383 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 154 3.034 4.990 7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 154 4.623 4.278 7.275 1.00 0.00 H new ATOM 564 N GLU A 155 2.795 -0.053 9.173 1.00 0.00 N ATOM 565 CA GLU A 155 2.321 -1.296 9.736 1.00 0.00 C ATOM 566 C GLU A 155 0.979 -1.616 9.129 1.00 0.00 C ATOM 567 O GLU A 155 0.915 -2.299 8.110 1.00 0.00 O ATOM 568 CB GLU A 155 2.258 -1.269 11.283 1.00 0.00 C ATOM 569 CG GLU A 155 1.951 -2.644 11.911 1.00 0.00 C ATOM 570 CD GLU A 155 1.919 -2.524 13.433 1.00 0.00 C ATOM 571 OE1 GLU A 155 2.981 -2.192 14.024 1.00 0.00 O ATOM 572 OE2 GLU A 155 0.833 -2.766 14.024 1.00 0.00 O ATOM 0 H GLU A 155 2.616 0.761 9.761 1.00 0.00 H new ATOM 0 HA GLU A 155 3.034 -2.083 9.492 1.00 0.00 H new ATOM 0 HB2 GLU A 155 3.210 -0.906 11.671 1.00 0.00 H new ATOM 0 HB3 GLU A 155 1.494 -0.557 11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 155 0.993 -3.014 11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 155 2.708 -3.368 11.610 1.00 0.00 H new ATOM 579 N SER A 156 -0.124 -1.121 9.740 1.00 0.00 N ATOM 580 CA SER A 156 -1.476 -1.373 9.301 1.00 0.00 C ATOM 581 C SER A 156 -1.935 -0.119 8.607 1.00 0.00 C ATOM 582 O SER A 156 -1.134 0.574 7.979 1.00 0.00 O ATOM 583 CB SER A 156 -2.421 -1.717 10.479 1.00 0.00 C ATOM 584 OG SER A 156 -1.949 -2.859 11.181 1.00 0.00 O ATOM 0 H SER A 156 -0.074 -0.526 10.567 1.00 0.00 H new ATOM 0 HA SER A 156 -1.500 -2.237 8.637 1.00 0.00 H new ATOM 0 HB2 SER A 156 -2.488 -0.868 11.159 1.00 0.00 H new ATOM 0 HB3 SER A 156 -3.427 -1.904 10.103 1.00 0.00 H new ATOM 0 HG SER A 156 -1.381 -3.395 10.589 1.00 0.00 H new ATOM 590 N THR A 157 -3.249 0.204 8.708 1.00 0.00 N ATOM 591 CA THR A 157 -3.816 1.404 8.142 1.00 0.00 C ATOM 592 C THR A 157 -3.618 2.498 9.157 1.00 0.00 C ATOM 593 O THR A 157 -4.346 2.594 10.144 1.00 0.00 O ATOM 594 CB THR A 157 -5.289 1.281 7.789 1.00 0.00 C ATOM 595 OG1 THR A 157 -5.481 0.186 6.900 1.00 0.00 O ATOM 596 CG2 THR A 157 -5.784 2.576 7.106 1.00 0.00 C ATOM 0 H THR A 157 -3.930 -0.380 9.193 1.00 0.00 H new ATOM 0 HA THR A 157 -3.313 1.614 7.198 1.00 0.00 H new ATOM 0 HB THR A 157 -5.854 1.116 8.706 1.00 0.00 H new ATOM 0 HG1 THR A 157 -4.673 0.057 6.361 1.00 0.00 H new ATOM 0 HG21 THR A 157 -6.841 2.476 6.858 1.00 0.00 H new ATOM 0 HG22 THR A 157 -5.649 3.419 7.783 1.00 0.00 H new ATOM 0 HG23 THR A 157 -5.212 2.748 6.194 1.00 0.00 H new ATOM 604 N THR A 158 -2.584 3.333 8.916 1.00 0.00 N ATOM 605 CA THR A 158 -2.230 4.472 9.728 1.00 0.00 C ATOM 606 C THR A 158 -2.355 5.706 8.867 1.00 0.00 C ATOM 607 O THR A 158 -2.254 6.831 9.354 1.00 0.00 O ATOM 608 CB THR A 158 -0.809 4.360 10.280 1.00 0.00 C ATOM 609 OG1 THR A 158 0.157 4.147 9.251 1.00 0.00 O ATOM 610 CG2 THR A 158 -0.743 3.196 11.291 1.00 0.00 C ATOM 0 H THR A 158 -1.963 3.210 8.116 1.00 0.00 H new ATOM 0 HA THR A 158 -2.899 4.522 10.587 1.00 0.00 H new ATOM 0 HB THR A 158 -0.570 5.306 10.766 1.00 0.00 H new ATOM 0 HG1 THR A 158 1.050 4.083 9.649 1.00 0.00 H new ATOM 0 HG21 THR A 158 0.270 3.114 11.686 1.00 0.00 H new ATOM 0 HG22 THR A 158 -1.438 3.385 12.109 1.00 0.00 H new ATOM 0 HG23 THR A 158 -1.014 2.265 10.793 1.00 0.00 H new ATOM 618 N LEU A 159 -2.565 5.489 7.551 1.00 0.00 N ATOM 619 CA LEU A 159 -2.480 6.473 6.508 1.00 0.00 C ATOM 620 C LEU A 159 -3.846 6.741 5.952 1.00 0.00 C ATOM 621 O LEU A 159 -4.836 6.143 6.372 1.00 0.00 O ATOM 622 CB LEU A 159 -1.536 6.024 5.360 1.00 0.00 C ATOM 623 CG LEU A 159 -1.926 4.765 4.531 1.00 0.00 C ATOM 624 CD1 LEU A 159 -0.989 4.644 3.316 1.00 0.00 C ATOM 625 CD2 LEU A 159 -1.964 3.431 5.304 1.00 0.00 C ATOM 0 H LEU A 159 -2.810 4.566 7.193 1.00 0.00 H new ATOM 0 HA LEU A 159 -2.066 7.381 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -1.435 6.859 4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -0.551 5.846 5.791 1.00 0.00 H new ATOM 0 HG LEU A 159 -2.960 4.932 4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -1.260 3.763 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.084 5.534 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 159 0.041 4.549 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -2.247 2.626 4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.979 3.224 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -2.693 3.499 6.111 1.00 0.00 H new ATOM 637 N THR A 160 -3.903 7.668 4.964 1.00 0.00 N ATOM 638 CA THR A 160 -5.088 8.007 4.219 1.00 0.00 C ATOM 639 C THR A 160 -5.106 7.078 3.030 1.00 0.00 C ATOM 640 O THR A 160 -4.060 6.686 2.516 1.00 0.00 O ATOM 641 CB THR A 160 -5.127 9.484 3.819 1.00 0.00 C ATOM 642 OG1 THR A 160 -6.346 9.830 3.168 1.00 0.00 O ATOM 643 CG2 THR A 160 -3.922 9.874 2.930 1.00 0.00 C ATOM 0 H THR A 160 -3.086 8.204 4.673 1.00 0.00 H new ATOM 0 HA THR A 160 -5.984 7.877 4.826 1.00 0.00 H new ATOM 0 HB THR A 160 -5.065 10.051 4.748 1.00 0.00 H new ATOM 0 HG1 THR A 160 -6.332 10.781 2.931 1.00 0.00 H new ATOM 0 HG21 THR A 160 -3.989 10.930 2.669 1.00 0.00 H new ATOM 0 HG22 THR A 160 -2.995 9.693 3.474 1.00 0.00 H new ATOM 0 HG23 THR A 160 -3.932 9.274 2.020 1.00 0.00 H new ATOM 651 N GLU A 161 -6.318 6.662 2.606 1.00 0.00 N ATOM 652 CA GLU A 161 -6.478 5.666 1.580 1.00 0.00 C ATOM 653 C GLU A 161 -7.379 6.254 0.543 1.00 0.00 C ATOM 654 O GLU A 161 -8.458 6.753 0.862 1.00 0.00 O ATOM 655 CB GLU A 161 -7.099 4.355 2.117 1.00 0.00 C ATOM 656 CG GLU A 161 -6.302 3.785 3.308 1.00 0.00 C ATOM 657 CD GLU A 161 -6.823 2.403 3.695 1.00 0.00 C ATOM 658 OE1 GLU A 161 -8.050 2.277 3.955 1.00 0.00 O ATOM 659 OE2 GLU A 161 -5.994 1.457 3.751 1.00 0.00 O ATOM 0 H GLU A 161 -7.198 7.020 2.978 1.00 0.00 H new ATOM 0 HA GLU A 161 -5.499 5.405 1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -8.128 4.540 2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -7.134 3.616 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -5.246 3.721 3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -6.380 4.460 4.160 1.00 0.00 H new ATOM 666 N LYS A 162 -6.937 6.205 -0.735 1.00 0.00 N ATOM 667 CA LYS A 162 -7.728 6.619 -1.867 1.00 0.00 C ATOM 668 C LYS A 162 -8.183 5.336 -2.496 1.00 0.00 C ATOM 669 O LYS A 162 -7.461 4.343 -2.456 1.00 0.00 O ATOM 670 CB LYS A 162 -6.916 7.457 -2.884 1.00 0.00 C ATOM 671 CG LYS A 162 -7.769 8.126 -3.975 1.00 0.00 C ATOM 672 CD LYS A 162 -6.940 8.991 -4.940 1.00 0.00 C ATOM 673 CE LYS A 162 -7.781 9.734 -5.988 1.00 0.00 C ATOM 674 NZ LYS A 162 -8.684 10.724 -5.353 1.00 0.00 N ATOM 0 H LYS A 162 -6.008 5.870 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 162 -8.551 7.262 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -6.366 8.228 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -6.177 6.813 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -8.291 7.356 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -8.531 8.746 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -6.371 9.719 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -6.217 8.356 -5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -7.122 10.240 -6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -8.369 9.017 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -9.138 11.302 -6.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -9.414 10.226 -4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -8.134 11.339 -4.720 1.00 0.00 H new ATOM 688 N GLU A 163 -9.410 5.322 -3.076 1.00 0.00 N ATOM 689 CA GLU A 163 -10.027 4.142 -3.640 1.00 0.00 C ATOM 690 C GLU A 163 -9.332 3.774 -4.926 1.00 0.00 C ATOM 691 O GLU A 163 -9.598 4.342 -5.985 1.00 0.00 O ATOM 692 CB GLU A 163 -11.543 4.319 -3.887 1.00 0.00 C ATOM 693 CG GLU A 163 -12.256 3.024 -4.321 1.00 0.00 C ATOM 694 CD GLU A 163 -13.754 3.284 -4.466 1.00 0.00 C ATOM 695 OE1 GLU A 163 -14.132 4.109 -5.339 1.00 0.00 O ATOM 696 OE2 GLU A 163 -14.542 2.659 -3.706 1.00 0.00 O ATOM 0 H GLU A 163 -9.991 6.157 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 163 -9.918 3.339 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -12.009 4.692 -2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -11.691 5.079 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -11.845 2.671 -5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -12.083 2.238 -3.585 1.00 0.00 H new ATOM 703 N GLY A 164 -8.373 2.830 -4.819 1.00 0.00 N ATOM 704 CA GLY A 164 -7.496 2.472 -5.893 1.00 0.00 C ATOM 705 C GLY A 164 -6.224 2.026 -5.251 1.00 0.00 C ATOM 706 O GLY A 164 -5.852 0.857 -5.351 1.00 0.00 O ATOM 0 H GLY A 164 -8.205 2.303 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -7.927 1.676 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -7.323 3.320 -6.555 1.00 0.00 H new ATOM 710 N GLU A 165 -5.518 2.970 -4.580 1.00 0.00 N ATOM 711 CA GLU A 165 -4.221 2.714 -4.000 1.00 0.00 C ATOM 712 C GLU A 165 -4.101 3.593 -2.791 1.00 0.00 C ATOM 713 O GLU A 165 -4.677 4.678 -2.734 1.00 0.00 O ATOM 714 CB GLU A 165 -3.019 3.058 -4.918 1.00 0.00 C ATOM 715 CG GLU A 165 -2.979 2.272 -6.241 1.00 0.00 C ATOM 716 CD GLU A 165 -1.698 2.598 -7.006 1.00 0.00 C ATOM 717 OE1 GLU A 165 -1.482 3.798 -7.323 1.00 0.00 O ATOM 718 OE2 GLU A 165 -0.917 1.651 -7.290 1.00 0.00 O ATOM 0 H GLU A 165 -5.852 3.923 -4.438 1.00 0.00 H new ATOM 0 HA GLU A 165 -4.174 1.644 -3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -3.045 4.124 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -2.095 2.870 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -3.029 1.202 -6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -3.849 2.523 -6.849 1.00 0.00 H new ATOM 725 N ILE A 166 -3.315 3.134 -1.791 1.00 0.00 N ATOM 726 CA ILE A 166 -3.098 3.845 -0.553 1.00 0.00 C ATOM 727 C ILE A 166 -1.900 4.736 -0.760 1.00 0.00 C ATOM 728 O ILE A 166 -1.024 4.410 -1.556 1.00 0.00 O ATOM 729 CB ILE A 166 -2.895 2.905 0.633 1.00 0.00 C ATOM 730 CG1 ILE A 166 -1.636 2.007 0.495 1.00 0.00 C ATOM 731 CG2 ILE A 166 -4.176 2.060 0.780 1.00 0.00 C ATOM 732 CD1 ILE A 166 -1.451 1.014 1.647 1.00 0.00 C ATOM 0 H ILE A 166 -2.816 2.246 -1.842 1.00 0.00 H new ATOM 0 HA ILE A 166 -3.982 4.433 -0.305 1.00 0.00 H new ATOM 0 HB ILE A 166 -2.717 3.499 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 166 -1.698 1.454 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 166 -0.753 2.643 0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 166 -4.066 1.375 1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 166 -5.027 2.717 0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 166 -4.342 1.489 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 166 -0.551 0.424 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 166 -1.356 1.560 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 166 -2.315 0.351 1.698 1.00 0.00 H new ATOM 744 N TYR A 167 -1.855 5.908 -0.081 1.00 0.00 N ATOM 745 CA TYR A 167 -0.770 6.859 -0.232 1.00 0.00 C ATOM 746 C TYR A 167 -0.586 7.475 1.125 1.00 0.00 C ATOM 747 O TYR A 167 -1.575 7.761 1.796 1.00 0.00 O ATOM 748 CB TYR A 167 -1.091 8.040 -1.184 1.00 0.00 C ATOM 749 CG TYR A 167 -1.535 7.575 -2.545 1.00 0.00 C ATOM 750 CD1 TYR A 167 -0.650 6.903 -3.403 1.00 0.00 C ATOM 751 CD2 TYR A 167 -2.842 7.838 -2.991 1.00 0.00 C ATOM 752 CE1 TYR A 167 -1.046 6.540 -4.697 1.00 0.00 C ATOM 753 CE2 TYR A 167 -3.242 7.477 -4.281 1.00 0.00 C ATOM 754 CZ TYR A 167 -2.341 6.839 -5.142 1.00 0.00 C ATOM 755 OH TYR A 167 -2.742 6.505 -6.455 1.00 0.00 O ATOM 0 H TYR A 167 -2.575 6.203 0.579 1.00 0.00 H new ATOM 0 HA TYR A 167 0.089 6.326 -0.639 1.00 0.00 H new ATOM 0 HB2 TYR A 167 -1.872 8.658 -0.741 1.00 0.00 H new ATOM 0 HB3 TYR A 167 -0.207 8.670 -1.288 1.00 0.00 H new ATOM 0 HD1 TYR A 167 0.346 6.663 -3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 167 -3.544 8.324 -2.330 1.00 0.00 H new ATOM 0 HE1 TYR A 167 -0.354 6.030 -5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 167 -4.247 7.690 -4.614 1.00 0.00 H new ATOM 0 HH TYR A 167 -2.324 5.659 -6.720 1.00 0.00 H new ATOM 765 N CYS A 168 0.674 7.704 1.586 1.00 0.00 N ATOM 766 CA CYS A 168 0.909 8.164 2.942 1.00 0.00 C ATOM 767 C CYS A 168 0.793 9.658 2.979 1.00 0.00 C ATOM 768 O CYS A 168 0.693 10.298 1.937 1.00 0.00 O ATOM 769 CB CYS A 168 2.179 7.605 3.657 1.00 0.00 C ATOM 770 SG CYS A 168 3.829 8.304 3.276 1.00 0.00 S ATOM 0 H CYS A 168 1.519 7.573 1.030 1.00 0.00 H new ATOM 0 HA CYS A 168 0.125 7.725 3.559 1.00 0.00 H new ATOM 0 HB2 CYS A 168 2.021 7.714 4.730 1.00 0.00 H new ATOM 0 HB3 CYS A 168 2.224 6.536 3.448 1.00 0.00 H new ATOM 0 HG CYS A 168 3.999 8.337 1.988 1.00 0.00 H new ATOM 775 N LYS A 169 0.747 10.242 4.198 1.00 0.00 N ATOM 776 CA LYS A 169 0.311 11.601 4.429 1.00 0.00 C ATOM 777 C LYS A 169 1.212 12.645 3.816 1.00 0.00 C ATOM 778 O LYS A 169 0.734 13.695 3.388 1.00 0.00 O ATOM 779 CB LYS A 169 0.123 11.893 5.938 1.00 0.00 C ATOM 780 CG LYS A 169 1.367 11.652 6.811 1.00 0.00 C ATOM 781 CD LYS A 169 1.102 11.878 8.307 1.00 0.00 C ATOM 782 CE LYS A 169 2.341 11.620 9.174 1.00 0.00 C ATOM 783 NZ LYS A 169 2.044 11.843 10.607 1.00 0.00 N ATOM 0 H LYS A 169 1.021 9.756 5.052 1.00 0.00 H new ATOM 0 HA LYS A 169 -0.652 11.675 3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -0.188 12.931 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -0.691 11.272 6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 169 1.718 10.631 6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 169 2.167 12.316 6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 169 0.763 12.902 8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 169 0.294 11.223 8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 169 2.686 10.597 9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 169 3.152 12.278 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 2.899 11.662 11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 1.738 12.827 10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 1.287 11.198 10.909 1.00 0.00 H new ATOM 797 N GLY A 170 2.535 12.368 3.735 1.00 0.00 N ATOM 798 CA GLY A 170 3.512 13.311 3.248 1.00 0.00 C ATOM 799 C GLY A 170 3.505 13.381 1.750 1.00 0.00 C ATOM 800 O GLY A 170 3.644 14.460 1.179 1.00 0.00 O ATOM 0 H GLY A 170 2.935 11.472 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 170 3.305 14.298 3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 170 4.504 13.022 3.596 1.00 0.00 H new ATOM 804 N CYS A 171 3.351 12.214 1.081 1.00 0.00 N ATOM 805 CA CYS A 171 3.455 12.096 -0.355 1.00 0.00 C ATOM 806 C CYS A 171 2.126 12.324 -1.033 1.00 0.00 C ATOM 807 O CYS A 171 2.087 12.524 -2.245 1.00 0.00 O ATOM 808 CB CYS A 171 4.036 10.724 -0.782 1.00 0.00 C ATOM 809 SG CYS A 171 3.082 9.281 -0.224 1.00 0.00 S ATOM 0 H CYS A 171 3.149 11.330 1.548 1.00 0.00 H new ATOM 0 HA CYS A 171 4.145 12.876 -0.677 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.104 10.697 -1.870 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.052 10.640 -0.397 1.00 0.00 H new ATOM 814 N TYR A 172 1.010 12.307 -0.265 1.00 0.00 N ATOM 815 CA TYR A 172 -0.326 12.541 -0.767 1.00 0.00 C ATOM 816 C TYR A 172 -0.578 14.025 -0.720 1.00 0.00 C ATOM 817 O TYR A 172 -1.304 14.564 -1.554 1.00 0.00 O ATOM 818 CB TYR A 172 -1.397 11.797 0.076 1.00 0.00 C ATOM 819 CG TYR A 172 -2.764 11.795 -0.566 1.00 0.00 C ATOM 820 CD1 TYR A 172 -2.956 11.245 -1.846 1.00 0.00 C ATOM 821 CD2 TYR A 172 -3.877 12.310 0.122 1.00 0.00 C ATOM 822 CE1 TYR A 172 -4.231 11.202 -2.423 1.00 0.00 C ATOM 823 CE2 TYR A 172 -5.155 12.268 -0.450 1.00 0.00 C ATOM 824 CZ TYR A 172 -5.334 11.710 -1.724 1.00 0.00 C ATOM 825 OH TYR A 172 -6.624 11.655 -2.299 1.00 0.00 O ATOM 0 H TYR A 172 1.036 12.125 0.738 1.00 0.00 H new ATOM 0 HA TYR A 172 -0.400 12.160 -1.786 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -1.075 10.768 0.233 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -1.465 12.264 1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -2.110 10.851 -2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -3.745 12.743 1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -4.364 10.777 -3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -6.002 12.665 0.090 1.00 0.00 H new ATOM 0 HH TYR A 172 -7.275 12.049 -1.681 1.00 0.00 H new ATOM 835 N ALA A 173 0.054 14.723 0.256 1.00 0.00 N ATOM 836 CA ALA A 173 0.010 16.160 0.380 1.00 0.00 C ATOM 837 C ALA A 173 0.871 16.802 -0.680 1.00 0.00 C ATOM 838 O ALA A 173 0.577 17.905 -1.140 1.00 0.00 O ATOM 839 CB ALA A 173 0.525 16.631 1.753 1.00 0.00 C ATOM 0 H ALA A 173 0.613 14.273 0.981 1.00 0.00 H new ATOM 0 HA ALA A 173 -1.033 16.455 0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 173 0.476 17.719 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -0.093 16.201 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 173 1.558 16.308 1.885 1.00 0.00 H new ATOM 845 N LYS A 174 1.954 16.101 -1.097 1.00 0.00 N ATOM 846 CA LYS A 174 2.900 16.570 -2.079 1.00 0.00 C ATOM 847 C LYS A 174 2.323 16.409 -3.461 1.00 0.00 C ATOM 848 O LYS A 174 2.302 17.361 -4.242 1.00 0.00 O ATOM 849 CB LYS A 174 4.225 15.776 -1.991 1.00 0.00 C ATOM 850 CG LYS A 174 5.330 16.253 -2.948 1.00 0.00 C ATOM 851 CD LYS A 174 6.636 15.461 -2.779 1.00 0.00 C ATOM 852 CE LYS A 174 7.739 15.923 -3.740 1.00 0.00 C ATOM 853 NZ LYS A 174 8.977 15.131 -3.547 1.00 0.00 N ATOM 0 H LYS A 174 2.179 15.174 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 174 3.103 17.622 -1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 174 4.599 15.834 -0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 174 4.017 14.726 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 174 4.982 16.158 -3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 174 5.525 17.311 -2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 174 6.988 15.564 -1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 174 6.437 14.402 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 174 7.395 15.822 -4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 174 7.950 16.980 -3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 9.708 15.463 -4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 9.315 15.248 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 8.778 14.126 -3.727 1.00 0.00 H new ATOM 867 N ASN A 175 1.833 15.189 -3.785 1.00 0.00 N ATOM 868 CA ASN A 175 1.332 14.850 -5.095 1.00 0.00 C ATOM 869 C ASN A 175 -0.119 15.343 -5.204 1.00 0.00 C ATOM 870 O ASN A 175 -0.997 14.801 -4.484 1.00 0.00 O ATOM 871 CB ASN A 175 1.402 13.320 -5.354 1.00 0.00 C ATOM 872 CG ASN A 175 1.058 12.975 -6.812 1.00 0.00 C ATOM 873 OD1 ASN A 175 1.783 13.365 -7.735 1.00 0.00 O ATOM 874 ND2 ASN A 175 -0.068 12.222 -7.005 1.00 0.00 N ATOM 0 H ASN A 175 1.783 14.417 -3.120 1.00 0.00 H new ATOM 0 HA ASN A 175 1.953 15.333 -5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 175 2.403 12.957 -5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.712 12.806 -4.685 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -0.347 11.954 -7.949 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -0.628 11.928 -6.205 1.00 0.00 H new TER 881 ASN A 175 HETATM 882 ZN ZN A 195 4.628 -8.403 3.039 1.00 0.00 ZN HETATM 883 ZN ZN A 196 4.170 8.428 1.590 1.00 0.00 ZN