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 149 LYS NZ :NH3+ 160:sc= -0.0128 (180deg=-0.599) USER MOD Set 1.2: A 171 CYS SG : rot -111:sc= -0.657 USER MOD Set 2.1: A 126 SER OG : rot 19:sc= 0.16 USER MOD Set 2.2: A 128 TYR OH : rot 180:sc= 0 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 132 LYS NZ :NH3+ 146:sc= -0.296 (180deg=-1.67!) USER MOD Single : A 138 LYS NZ :NH3+ -173:sc=-0.00405 (180deg=-0.0635) USER MOD Single : A 141 HIS :FLIP no HD1:sc= -1.2 F(o=-2.3,f=-1.2) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc=-0.00355 X(o=-0.0035,f=0) USER MOD Single : A 150 CYS SG : rot -54:sc= 0.39 USER MOD Single : A 152 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0135) 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 -24:sc= 0.637 USER MOD Single : A 158 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 159:sc= 0.999 USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 33:sc= 0.0789 USER MOD Single : A 169 LYS NZ :NH3+ -160:sc= -0.105 (180deg=-0.784) 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=-0.00094) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 117 -1.123 -16.911 -5.451 1.00 0.00 N ATOM 2 CA ALA A 117 -2.372 -16.116 -5.514 1.00 0.00 C ATOM 3 C ALA A 117 -2.037 -14.714 -5.923 1.00 0.00 C ATOM 4 O ALA A 117 -1.869 -14.445 -7.112 1.00 0.00 O ATOM 5 CB ALA A 117 -3.112 -16.163 -4.161 1.00 0.00 C ATOM 0 HA ALA A 117 -3.047 -16.540 -6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.027 -15.574 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.362 -17.196 -3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.471 -15.753 -3.381 1.00 0.00 H new ATOM 11 N GLU A 118 -1.919 -13.787 -4.942 1.00 0.00 N ATOM 12 CA GLU A 118 -1.516 -12.421 -5.179 1.00 0.00 C ATOM 13 C GLU A 118 -0.170 -12.276 -4.534 1.00 0.00 C ATOM 14 O GLU A 118 0.355 -13.226 -3.958 1.00 0.00 O ATOM 15 CB GLU A 118 -2.521 -11.352 -4.664 1.00 0.00 C ATOM 16 CG GLU A 118 -2.984 -11.499 -3.199 1.00 0.00 C ATOM 17 CD GLU A 118 -4.097 -12.538 -3.053 1.00 0.00 C ATOM 18 OE1 GLU A 118 -5.168 -12.355 -3.692 1.00 0.00 O ATOM 19 OE2 GLU A 118 -3.897 -13.519 -2.291 1.00 0.00 O ATOM 0 H GLU A 118 -2.108 -13.991 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.484 -12.233 -6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.065 -10.369 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.402 -11.374 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.136 -11.786 -2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.337 -10.535 -2.832 1.00 0.00 H new ATOM 26 N LYS A 119 0.448 -11.082 -4.671 1.00 0.00 N ATOM 27 CA LYS A 119 1.794 -10.863 -4.219 1.00 0.00 C ATOM 28 C LYS A 119 1.823 -9.631 -3.366 1.00 0.00 C ATOM 29 O LYS A 119 0.938 -8.782 -3.438 1.00 0.00 O ATOM 30 CB LYS A 119 2.814 -10.792 -5.359 1.00 0.00 C ATOM 31 CG LYS A 119 4.194 -11.369 -5.003 1.00 0.00 C ATOM 32 CD LYS A 119 5.213 -11.252 -6.144 1.00 0.00 C ATOM 33 CE LYS A 119 6.595 -11.790 -5.753 1.00 0.00 C ATOM 34 NZ LYS A 119 7.552 -11.669 -6.877 1.00 0.00 N ATOM 0 H LYS A 119 0.012 -10.264 -5.097 1.00 0.00 H new ATOM 0 HA LYS A 119 2.097 -11.727 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.418 -11.330 -6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.934 -9.751 -5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.581 -10.852 -4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.082 -12.419 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.846 -11.799 -7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.304 -10.207 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.972 -11.241 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.511 -12.835 -5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.479 -12.040 -6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.202 -12.213 -7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 7.648 -10.669 -7.145 1.00 0.00 H new ATOM 48 N CYS A 120 2.873 -9.527 -2.527 1.00 0.00 N ATOM 49 CA CYS A 120 3.145 -8.417 -1.657 1.00 0.00 C ATOM 50 C CYS A 120 4.028 -7.471 -2.416 1.00 0.00 C ATOM 51 O CYS A 120 5.057 -7.870 -2.960 1.00 0.00 O ATOM 52 CB CYS A 120 3.854 -8.849 -0.356 1.00 0.00 C ATOM 53 SG CYS A 120 3.986 -7.526 0.880 1.00 0.00 S ATOM 0 H CYS A 120 3.575 -10.263 -2.451 1.00 0.00 H new ATOM 0 HA CYS A 120 2.203 -7.954 -1.362 1.00 0.00 H new ATOM 0 HB2 CYS A 120 3.313 -9.688 0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 120 4.854 -9.207 -0.600 1.00 0.00 H new ATOM 58 N SER A 121 3.607 -6.189 -2.492 1.00 0.00 N ATOM 59 CA SER A 121 4.308 -5.141 -3.191 1.00 0.00 C ATOM 60 C SER A 121 5.601 -4.795 -2.481 1.00 0.00 C ATOM 61 O SER A 121 6.610 -4.531 -3.135 1.00 0.00 O ATOM 62 CB SER A 121 3.423 -3.872 -3.316 1.00 0.00 C ATOM 63 OG SER A 121 3.986 -2.901 -4.192 1.00 0.00 O ATOM 0 H SER A 121 2.745 -5.868 -2.050 1.00 0.00 H new ATOM 0 HA SER A 121 4.541 -5.506 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 121 2.435 -4.156 -3.679 1.00 0.00 H new ATOM 0 HB3 SER A 121 3.285 -3.430 -2.329 1.00 0.00 H new ATOM 0 HG SER A 121 3.394 -2.122 -4.240 1.00 0.00 H new ATOM 69 N ARG A 122 5.597 -4.790 -1.124 1.00 0.00 N ATOM 70 CA ARG A 122 6.726 -4.340 -0.344 1.00 0.00 C ATOM 71 C ARG A 122 7.774 -5.410 -0.203 1.00 0.00 C ATOM 72 O ARG A 122 8.899 -5.223 -0.667 1.00 0.00 O ATOM 73 CB ARG A 122 6.340 -3.833 1.064 1.00 0.00 C ATOM 74 CG ARG A 122 7.483 -3.044 1.734 1.00 0.00 C ATOM 75 CD ARG A 122 7.076 -2.289 3.008 1.00 0.00 C ATOM 76 NE ARG A 122 6.763 -3.270 4.096 1.00 0.00 N ATOM 77 CZ ARG A 122 7.677 -3.706 5.017 1.00 0.00 C ATOM 78 NH1 ARG A 122 8.976 -3.292 4.981 1.00 0.00 N ATOM 79 NH2 ARG A 122 7.276 -4.572 5.996 1.00 0.00 N ATOM 0 H ARG A 122 4.804 -5.101 -0.563 1.00 0.00 H new ATOM 0 HA ARG A 122 7.131 -3.499 -0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.457 -3.198 0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 122 6.070 -4.682 1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.289 -3.735 1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.883 -2.329 1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.882 -1.626 3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.207 -1.662 2.809 1.00 0.00 H new ATOM 0 HE ARG A 122 5.812 -3.635 4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 122 9.285 -2.644 4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 122 9.639 -3.631 5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.306 -4.885 6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 122 7.947 -4.905 6.689 1.00 0.00 H new ATOM 93 N CYS A 123 7.443 -6.553 0.455 1.00 0.00 N ATOM 94 CA CYS A 123 8.455 -7.485 0.908 1.00 0.00 C ATOM 95 C CYS A 123 8.753 -8.501 -0.165 1.00 0.00 C ATOM 96 O CYS A 123 9.867 -9.019 -0.233 1.00 0.00 O ATOM 97 CB CYS A 123 8.118 -8.169 2.271 1.00 0.00 C ATOM 98 SG CYS A 123 6.828 -9.469 2.286 1.00 0.00 S ATOM 0 H CYS A 123 6.486 -6.830 0.672 1.00 0.00 H new ATOM 0 HA CYS A 123 9.353 -6.898 1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 123 9.037 -8.606 2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 123 7.814 -7.389 2.970 1.00 0.00 H new ATOM 103 N GLY A 124 7.771 -8.774 -1.057 1.00 0.00 N ATOM 104 CA GLY A 124 7.987 -9.560 -2.247 1.00 0.00 C ATOM 105 C GLY A 124 7.787 -11.020 -1.986 1.00 0.00 C ATOM 106 O GLY A 124 8.394 -11.854 -2.656 1.00 0.00 O ATOM 0 H GLY A 124 6.812 -8.444 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 124 7.302 -9.232 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 124 8.998 -9.391 -2.617 1.00 0.00 H new ATOM 110 N ASP A 125 6.914 -11.361 -1.010 1.00 0.00 N ATOM 111 CA ASP A 125 6.527 -12.725 -0.739 1.00 0.00 C ATOM 112 C ASP A 125 5.150 -12.866 -1.316 1.00 0.00 C ATOM 113 O ASP A 125 4.423 -11.884 -1.440 1.00 0.00 O ATOM 114 CB ASP A 125 6.446 -13.063 0.773 1.00 0.00 C ATOM 115 CG ASP A 125 7.817 -13.014 1.458 1.00 0.00 C ATOM 116 OD1 ASP A 125 8.856 -12.881 0.759 1.00 0.00 O ATOM 117 OD2 ASP A 125 7.833 -13.120 2.715 1.00 0.00 O ATOM 0 H ASP A 125 6.468 -10.679 -0.397 1.00 0.00 H new ATOM 0 HA ASP A 125 7.272 -13.397 -1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.773 -12.360 1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.016 -14.057 0.898 1.00 0.00 H new ATOM 122 N SER A 126 4.755 -14.107 -1.685 1.00 0.00 N ATOM 123 CA SER A 126 3.444 -14.376 -2.225 1.00 0.00 C ATOM 124 C SER A 126 2.519 -14.552 -1.053 1.00 0.00 C ATOM 125 O SER A 126 2.736 -15.422 -0.210 1.00 0.00 O ATOM 126 CB SER A 126 3.416 -15.638 -3.125 1.00 0.00 C ATOM 127 OG SER A 126 2.157 -15.812 -3.767 1.00 0.00 O ATOM 0 H SER A 126 5.349 -14.933 -1.609 1.00 0.00 H new ATOM 0 HA SER A 126 3.138 -13.547 -2.863 1.00 0.00 H new ATOM 0 HB2 SER A 126 4.199 -15.562 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 126 3.639 -16.518 -2.521 1.00 0.00 H new ATOM 0 HG SER A 126 1.667 -14.963 -3.762 1.00 0.00 H new ATOM 133 N VAL A 127 1.476 -13.693 -0.978 1.00 0.00 N ATOM 134 CA VAL A 127 0.507 -13.709 0.086 1.00 0.00 C ATOM 135 C VAL A 127 -0.730 -14.365 -0.477 1.00 0.00 C ATOM 136 O VAL A 127 -1.060 -14.200 -1.651 1.00 0.00 O ATOM 137 CB VAL A 127 0.268 -12.324 0.684 1.00 0.00 C ATOM 138 CG1 VAL A 127 -0.431 -11.368 -0.306 1.00 0.00 C ATOM 139 CG2 VAL A 127 -0.475 -12.455 2.030 1.00 0.00 C ATOM 0 H VAL A 127 1.302 -12.969 -1.675 1.00 0.00 H new ATOM 0 HA VAL A 127 0.866 -14.282 0.941 1.00 0.00 H new ATOM 0 HB VAL A 127 1.235 -11.861 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.578 -10.397 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.188 -11.248 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -1.398 -11.783 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -0.642 -11.464 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -1.434 -12.948 1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.126 -13.046 2.721 1.00 0.00 H new ATOM 149 N TYR A 128 -1.401 -15.188 0.360 1.00 0.00 N ATOM 150 CA TYR A 128 -2.488 -16.042 -0.047 1.00 0.00 C ATOM 151 C TYR A 128 -3.676 -15.602 0.755 1.00 0.00 C ATOM 152 O TYR A 128 -4.447 -14.749 0.319 1.00 0.00 O ATOM 153 CB TYR A 128 -2.192 -17.543 0.213 1.00 0.00 C ATOM 154 CG TYR A 128 -1.078 -18.008 -0.688 1.00 0.00 C ATOM 155 CD1 TYR A 128 0.265 -17.916 -0.279 1.00 0.00 C ATOM 156 CD2 TYR A 128 -1.364 -18.536 -1.958 1.00 0.00 C ATOM 157 CE1 TYR A 128 1.300 -18.331 -1.127 1.00 0.00 C ATOM 158 CE2 TYR A 128 -0.332 -18.957 -2.806 1.00 0.00 C ATOM 159 CZ TYR A 128 1.003 -18.851 -2.393 1.00 0.00 C ATOM 160 OH TYR A 128 2.046 -19.265 -3.250 1.00 0.00 O ATOM 0 H TYR A 128 -1.181 -15.262 1.353 1.00 0.00 H new ATOM 0 HA TYR A 128 -2.654 -15.954 -1.121 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -1.914 -17.693 1.256 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.089 -18.136 0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 128 0.500 -17.522 0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -2.390 -18.618 -2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 128 2.327 -18.250 -0.804 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -0.565 -19.364 -3.779 1.00 0.00 H new ATOM 0 HH TYR A 128 1.666 -19.601 -4.088 1.00 0.00 H new ATOM 170 N ALA A 129 -3.841 -16.182 1.961 1.00 0.00 N ATOM 171 CA ALA A 129 -4.884 -15.820 2.882 1.00 0.00 C ATOM 172 C ALA A 129 -4.273 -15.928 4.247 1.00 0.00 C ATOM 173 O ALA A 129 -4.926 -16.338 5.206 1.00 0.00 O ATOM 174 CB ALA A 129 -6.106 -16.756 2.789 1.00 0.00 C ATOM 0 H ALA A 129 -3.233 -16.924 2.307 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.250 -14.818 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -6.863 -16.438 3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -6.520 -16.715 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -5.800 -17.778 3.014 1.00 0.00 H new ATOM 180 N ALA A 130 -2.976 -15.547 4.354 1.00 0.00 N ATOM 181 CA ALA A 130 -2.211 -15.617 5.572 1.00 0.00 C ATOM 182 C ALA A 130 -2.467 -14.352 6.339 1.00 0.00 C ATOM 183 O ALA A 130 -3.269 -14.338 7.272 1.00 0.00 O ATOM 184 CB ALA A 130 -0.701 -15.772 5.296 1.00 0.00 C ATOM 0 H ALA A 130 -2.444 -15.178 3.566 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.518 -16.494 6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -0.161 -15.821 6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.527 -16.688 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.347 -14.917 4.720 1.00 0.00 H new ATOM 190 N GLU A 131 -1.795 -13.254 5.931 1.00 0.00 N ATOM 191 CA GLU A 131 -1.952 -11.948 6.518 1.00 0.00 C ATOM 192 C GLU A 131 -2.659 -11.075 5.518 1.00 0.00 C ATOM 193 O GLU A 131 -2.577 -9.850 5.609 1.00 0.00 O ATOM 194 CB GLU A 131 -0.584 -11.284 6.814 1.00 0.00 C ATOM 195 CG GLU A 131 0.318 -12.102 7.754 1.00 0.00 C ATOM 196 CD GLU A 131 1.663 -11.391 7.898 1.00 0.00 C ATOM 197 OE1 GLU A 131 1.683 -10.256 8.444 1.00 0.00 O ATOM 198 OE2 GLU A 131 2.691 -11.974 7.459 1.00 0.00 O ATOM 0 H GLU A 131 -1.119 -13.274 5.167 1.00 0.00 H new ATOM 0 HA GLU A 131 -2.505 -12.056 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -0.059 -11.123 5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -0.756 -10.302 7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -0.156 -12.211 8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 131 0.464 -13.106 7.356 1.00 0.00 H new ATOM 205 N LYS A 132 -3.362 -11.679 4.522 1.00 0.00 N ATOM 206 CA LYS A 132 -3.817 -10.949 3.364 1.00 0.00 C ATOM 207 C LYS A 132 -5.008 -10.122 3.747 1.00 0.00 C ATOM 208 O LYS A 132 -5.956 -10.615 4.356 1.00 0.00 O ATOM 209 CB LYS A 132 -4.200 -11.894 2.196 1.00 0.00 C ATOM 210 CG LYS A 132 -4.224 -11.253 0.790 1.00 0.00 C ATOM 211 CD LYS A 132 -5.498 -10.514 0.333 1.00 0.00 C ATOM 212 CE LYS A 132 -6.683 -11.414 -0.060 1.00 0.00 C ATOM 213 NZ LYS A 132 -7.359 -12.009 1.116 1.00 0.00 N ATOM 0 H LYS A 132 -3.613 -12.668 4.521 1.00 0.00 H new ATOM 0 HA LYS A 132 -3.000 -10.314 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -3.497 -12.727 2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -5.186 -12.312 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -3.395 -10.547 0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -4.021 -12.041 0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -5.819 -9.850 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -5.245 -9.884 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -7.404 -10.830 -0.632 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -6.328 -12.211 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -8.377 -12.095 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -6.961 -12.951 1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -7.214 -11.399 1.946 1.00 0.00 H new ATOM 227 N VAL A 133 -4.951 -8.829 3.369 1.00 0.00 N ATOM 228 CA VAL A 133 -5.988 -7.862 3.588 1.00 0.00 C ATOM 229 C VAL A 133 -5.879 -6.957 2.399 1.00 0.00 C ATOM 230 O VAL A 133 -4.830 -6.872 1.760 1.00 0.00 O ATOM 231 CB VAL A 133 -5.852 -7.040 4.872 1.00 0.00 C ATOM 232 CG1 VAL A 133 -6.253 -7.905 6.086 1.00 0.00 C ATOM 233 CG2 VAL A 133 -4.422 -6.480 5.029 1.00 0.00 C ATOM 0 H VAL A 133 -4.141 -8.439 2.887 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.946 -8.368 3.704 1.00 0.00 H new ATOM 0 HB VAL A 133 -6.525 -6.184 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -6.155 -7.318 6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -7.287 -8.233 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.601 -8.776 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -4.357 -5.901 5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.710 -7.305 5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.187 -5.838 4.180 1.00 0.00 H new ATOM 243 N ILE A 134 -6.990 -6.261 2.074 1.00 0.00 N ATOM 244 CA ILE A 134 -7.031 -5.281 1.020 1.00 0.00 C ATOM 245 C ILE A 134 -7.185 -3.977 1.747 1.00 0.00 C ATOM 246 O ILE A 134 -7.961 -3.873 2.696 1.00 0.00 O ATOM 247 CB ILE A 134 -8.179 -5.506 0.037 1.00 0.00 C ATOM 248 CG1 ILE A 134 -8.108 -6.922 -0.599 1.00 0.00 C ATOM 249 CG2 ILE A 134 -8.199 -4.399 -1.042 1.00 0.00 C ATOM 250 CD1 ILE A 134 -6.839 -7.211 -1.413 1.00 0.00 C ATOM 0 H ILE A 134 -7.882 -6.381 2.554 1.00 0.00 H new ATOM 0 HA ILE A 134 -6.136 -5.325 0.399 1.00 0.00 H new ATOM 0 HB ILE A 134 -9.116 -5.449 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -8.187 -7.664 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -8.974 -7.055 -1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -9.024 -4.578 -1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -8.329 -3.428 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -7.258 -4.410 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -6.887 -8.223 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -6.764 -6.499 -2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -5.964 -7.117 -0.769 1.00 0.00 H new ATOM 262 N GLY A 135 -6.420 -2.949 1.310 1.00 0.00 N ATOM 263 CA GLY A 135 -6.442 -1.636 1.894 1.00 0.00 C ATOM 264 C GLY A 135 -7.421 -0.834 1.105 1.00 0.00 C ATOM 265 O GLY A 135 -8.619 -0.849 1.387 1.00 0.00 O ATOM 0 H GLY A 135 -5.769 -3.035 0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.736 -1.683 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -5.452 -1.181 1.861 1.00 0.00 H new ATOM 269 N ALA A 136 -6.915 -0.115 0.079 1.00 0.00 N ATOM 270 CA ALA A 136 -7.723 0.672 -0.814 1.00 0.00 C ATOM 271 C ALA A 136 -8.139 -0.223 -1.945 1.00 0.00 C ATOM 272 O ALA A 136 -9.328 -0.383 -2.216 1.00 0.00 O ATOM 273 CB ALA A 136 -6.955 1.880 -1.373 1.00 0.00 C ATOM 0 H ALA A 136 -5.919 -0.079 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 136 -8.583 1.063 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.603 2.446 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.635 2.520 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -6.081 1.532 -1.923 1.00 0.00 H new ATOM 279 N GLY A 137 -7.150 -0.852 -2.614 1.00 0.00 N ATOM 280 CA GLY A 137 -7.422 -1.790 -3.666 1.00 0.00 C ATOM 281 C GLY A 137 -6.111 -2.366 -4.084 1.00 0.00 C ATOM 282 O GLY A 137 -5.819 -2.449 -5.277 1.00 0.00 O ATOM 0 H GLY A 137 -6.158 -0.710 -2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -8.095 -2.574 -3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -7.912 -1.297 -4.505 1.00 0.00 H new ATOM 286 N LYS A 138 -5.282 -2.772 -3.093 1.00 0.00 N ATOM 287 CA LYS A 138 -3.967 -3.314 -3.324 1.00 0.00 C ATOM 288 C LYS A 138 -3.806 -4.476 -2.367 1.00 0.00 C ATOM 289 O LYS A 138 -4.343 -4.409 -1.262 1.00 0.00 O ATOM 290 CB LYS A 138 -2.854 -2.284 -3.013 1.00 0.00 C ATOM 291 CG LYS A 138 -2.675 -1.178 -4.068 1.00 0.00 C ATOM 292 CD LYS A 138 -2.017 -1.639 -5.382 1.00 0.00 C ATOM 293 CE LYS A 138 -0.556 -2.105 -5.248 1.00 0.00 C ATOM 294 NZ LYS A 138 0.314 -1.033 -4.707 1.00 0.00 N ATOM 0 H LYS A 138 -5.533 -2.722 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 138 -3.875 -3.603 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -3.071 -1.817 -2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -1.909 -2.816 -2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -3.652 -0.752 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -2.072 -0.379 -3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -2.606 -2.455 -5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -2.057 -0.818 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -0.510 -2.976 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -0.183 -2.419 -6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 1.307 -1.341 -4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 0.199 -0.171 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 0.048 -0.834 -3.722 1.00 0.00 H new ATOM 308 N PRO A 139 -3.096 -5.552 -2.717 1.00 0.00 N ATOM 309 CA PRO A 139 -2.825 -6.670 -1.823 1.00 0.00 C ATOM 310 C PRO A 139 -1.739 -6.302 -0.840 1.00 0.00 C ATOM 311 O PRO A 139 -0.796 -5.609 -1.220 1.00 0.00 O ATOM 312 CB PRO A 139 -2.352 -7.786 -2.761 1.00 0.00 C ATOM 313 CG PRO A 139 -1.731 -7.058 -3.958 1.00 0.00 C ATOM 314 CD PRO A 139 -2.583 -5.795 -4.068 1.00 0.00 C ATOM 0 HA PRO A 139 -3.692 -6.962 -1.231 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -1.624 -8.432 -2.271 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -3.183 -8.420 -3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -0.680 -6.823 -3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -1.780 -7.659 -4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -1.990 -4.951 -4.421 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -3.398 -5.932 -4.779 1.00 0.00 H new ATOM 322 N TRP A 140 -1.892 -6.728 0.436 1.00 0.00 N ATOM 323 CA TRP A 140 -1.034 -6.309 1.516 1.00 0.00 C ATOM 324 C TRP A 140 -0.961 -7.404 2.537 1.00 0.00 C ATOM 325 O TRP A 140 -1.963 -8.046 2.839 1.00 0.00 O ATOM 326 CB TRP A 140 -1.517 -5.052 2.287 1.00 0.00 C ATOM 327 CG TRP A 140 -1.690 -3.793 1.469 1.00 0.00 C ATOM 328 CD1 TRP A 140 -2.829 -3.063 1.292 1.00 0.00 C ATOM 329 CD2 TRP A 140 -0.654 -3.119 0.734 1.00 0.00 C ATOM 330 NE1 TRP A 140 -2.584 -1.984 0.479 1.00 0.00 N ATOM 331 CE2 TRP A 140 -1.256 -2.006 0.110 1.00 0.00 C ATOM 332 CE3 TRP A 140 0.701 -3.391 0.568 1.00 0.00 C ATOM 333 CZ2 TRP A 140 -0.514 -1.161 -0.709 1.00 0.00 C ATOM 334 CZ3 TRP A 140 1.453 -2.522 -0.236 1.00 0.00 C ATOM 335 CH2 TRP A 140 0.851 -1.427 -0.872 1.00 0.00 C ATOM 0 H TRP A 140 -2.626 -7.376 0.724 1.00 0.00 H new ATOM 0 HA TRP A 140 -0.082 -6.075 1.040 1.00 0.00 H new ATOM 0 HB2 TRP A 140 -2.470 -5.286 2.761 1.00 0.00 H new ATOM 0 HB3 TRP A 140 -0.805 -4.846 3.087 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -3.788 -3.300 1.729 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -3.269 -1.284 0.196 1.00 0.00 H new ATOM 0 HE3 TRP A 140 1.159 -4.245 1.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -0.978 -0.322 -1.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.510 -2.699 -0.367 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.449 -0.780 -1.496 1.00 0.00 H new ATOM 346 N HIS A 141 0.249 -7.604 3.125 1.00 0.00 N ATOM 347 CA HIS A 141 0.389 -8.256 4.410 1.00 0.00 C ATOM 348 C HIS A 141 0.096 -7.155 5.397 1.00 0.00 C ATOM 349 O HIS A 141 0.244 -5.977 5.075 1.00 0.00 O ATOM 350 CB HIS A 141 1.804 -8.776 4.769 1.00 0.00 C ATOM 351 CG HIS A 141 2.306 -9.956 3.985 1.00 0.00 C ATOM 352 ND1 HIS A 141 1.852 -11.232 3.984 1.00 0.00 N flip ATOM 353 CD2 HIS A 141 3.494 -9.954 3.296 1.00 0.00 C flip ATOM 354 CE1 HIS A 141 2.760 -11.986 3.296 1.00 0.00 C flip ATOM 355 NE2 HIS A 141 3.738 -11.192 2.893 1.00 0.00 N flip ATOM 0 H HIS A 141 1.133 -7.313 2.708 1.00 0.00 H new ATOM 0 HA HIS A 141 -0.257 -9.134 4.411 1.00 0.00 H new ATOM 0 HB2 HIS A 141 2.511 -7.956 4.641 1.00 0.00 H new ATOM 0 HB3 HIS A 141 1.811 -9.041 5.826 1.00 0.00 H new ATOM 0 HD2 HIS A 141 4.120 -9.093 3.114 1.00 0.00 H new ATOM 0 HE1 HIS A 141 2.691 -13.048 3.113 1.00 0.00 H new ATOM 0 HE2 HIS A 141 4.553 -11.487 2.356 1.00 0.00 H new ATOM 363 N LYS A 142 -0.374 -7.509 6.613 1.00 0.00 N ATOM 364 CA LYS A 142 -0.890 -6.547 7.561 1.00 0.00 C ATOM 365 C LYS A 142 0.178 -5.725 8.252 1.00 0.00 C ATOM 366 O LYS A 142 -0.145 -4.859 9.063 1.00 0.00 O ATOM 367 CB LYS A 142 -1.801 -7.211 8.622 1.00 0.00 C ATOM 368 CG LYS A 142 -1.081 -8.185 9.572 1.00 0.00 C ATOM 369 CD LYS A 142 -2.020 -8.907 10.552 1.00 0.00 C ATOM 370 CE LYS A 142 -2.945 -9.932 9.881 1.00 0.00 C ATOM 371 NZ LYS A 142 -3.793 -10.622 10.881 1.00 0.00 N ATOM 0 H LYS A 142 -0.398 -8.472 6.947 1.00 0.00 H new ATOM 0 HA LYS A 142 -1.480 -5.859 6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -2.273 -6.429 9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -2.599 -7.748 8.110 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -0.549 -8.929 8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -0.331 -7.635 10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -1.421 -9.413 11.309 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -2.629 -8.166 11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -3.577 -9.431 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -2.348 -10.665 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -4.408 -11.309 10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -3.188 -11.119 11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -4.379 -9.923 11.381 1.00 0.00 H new ATOM 385 N ASN A 143 1.469 -5.980 7.934 1.00 0.00 N ATOM 386 CA ASN A 143 2.607 -5.251 8.440 1.00 0.00 C ATOM 387 C ASN A 143 3.249 -4.504 7.288 1.00 0.00 C ATOM 388 O ASN A 143 4.038 -3.587 7.506 1.00 0.00 O ATOM 389 CB ASN A 143 3.639 -6.234 9.064 1.00 0.00 C ATOM 390 CG ASN A 143 4.773 -5.511 9.811 1.00 0.00 C ATOM 391 OD1 ASN A 143 5.939 -5.588 9.404 1.00 0.00 O ATOM 392 ND2 ASN A 143 4.405 -4.801 10.919 1.00 0.00 N ATOM 0 H ASN A 143 1.733 -6.729 7.294 1.00 0.00 H new ATOM 0 HA ASN A 143 2.283 -4.552 9.211 1.00 0.00 H new ATOM 0 HB2 ASN A 143 3.125 -6.904 9.753 1.00 0.00 H new ATOM 0 HB3 ASN A 143 4.066 -6.854 8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 143 5.109 -4.297 11.459 1.00 0.00 H new ATOM 0 HD22 ASN A 143 3.427 -4.775 11.206 1.00 0.00 H new ATOM 399 N CYS A 144 2.934 -4.900 6.032 1.00 0.00 N ATOM 400 CA CYS A 144 3.613 -4.462 4.835 1.00 0.00 C ATOM 401 C CYS A 144 2.854 -3.400 4.076 1.00 0.00 C ATOM 402 O CYS A 144 2.912 -3.381 2.849 1.00 0.00 O ATOM 403 CB CYS A 144 3.878 -5.606 3.829 1.00 0.00 C ATOM 404 SG CYS A 144 4.982 -6.924 4.404 1.00 0.00 S ATOM 0 H CYS A 144 2.174 -5.553 5.841 1.00 0.00 H new ATOM 0 HA CYS A 144 4.553 -4.063 5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.922 -6.052 3.556 1.00 0.00 H new ATOM 0 HB3 CYS A 144 4.300 -5.175 2.921 1.00 0.00 H new ATOM 409 N PHE A 145 2.103 -2.492 4.750 1.00 0.00 N ATOM 410 CA PHE A 145 1.325 -1.477 4.063 1.00 0.00 C ATOM 411 C PHE A 145 2.288 -0.426 3.602 1.00 0.00 C ATOM 412 O PHE A 145 2.780 0.370 4.395 1.00 0.00 O ATOM 413 CB PHE A 145 0.253 -0.766 4.936 1.00 0.00 C ATOM 414 CG PHE A 145 -1.059 -1.508 4.919 1.00 0.00 C ATOM 415 CD1 PHE A 145 -1.166 -2.843 5.346 1.00 0.00 C ATOM 416 CD2 PHE A 145 -2.221 -0.851 4.472 1.00 0.00 C ATOM 417 CE1 PHE A 145 -2.399 -3.502 5.317 1.00 0.00 C ATOM 418 CE2 PHE A 145 -3.450 -1.515 4.423 1.00 0.00 C ATOM 419 CZ PHE A 145 -3.542 -2.843 4.850 1.00 0.00 C ATOM 0 H PHE A 145 2.032 -2.457 5.767 1.00 0.00 H new ATOM 0 HA PHE A 145 0.786 -1.983 3.262 1.00 0.00 H new ATOM 0 HB2 PHE A 145 0.613 -0.686 5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 145 0.102 0.250 4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -0.289 -3.364 5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -2.162 0.182 4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -2.470 -4.525 5.657 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -4.327 -1.003 4.056 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.491 -3.358 4.820 1.00 0.00 H new ATOM 429 N ARG A 146 2.593 -0.430 2.290 1.00 0.00 N ATOM 430 CA ARG A 146 3.549 0.474 1.724 1.00 0.00 C ATOM 431 C ARG A 146 2.763 1.563 1.079 1.00 0.00 C ATOM 432 O ARG A 146 1.693 1.331 0.524 1.00 0.00 O ATOM 433 CB ARG A 146 4.446 -0.178 0.653 1.00 0.00 C ATOM 434 CG ARG A 146 5.796 0.516 0.485 1.00 0.00 C ATOM 435 CD ARG A 146 6.598 -0.070 -0.681 1.00 0.00 C ATOM 436 NE ARG A 146 7.981 0.504 -0.657 1.00 0.00 N ATOM 437 CZ ARG A 146 9.039 -0.086 -1.292 1.00 0.00 C ATOM 438 NH1 ARG A 146 8.884 -1.247 -1.994 1.00 0.00 N ATOM 439 NH2 ARG A 146 10.272 0.498 -1.220 1.00 0.00 N ATOM 0 H ARG A 146 2.172 -1.067 1.614 1.00 0.00 H new ATOM 0 HA ARG A 146 4.212 0.823 2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 146 4.613 -1.222 0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 146 3.921 -0.171 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 146 5.638 1.581 0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 146 6.371 0.419 1.406 1.00 0.00 H new ATOM 0 HD2 ARG A 146 6.640 -1.156 -0.601 1.00 0.00 H new ATOM 0 HD3 ARG A 146 6.110 0.162 -1.628 1.00 0.00 H new ATOM 0 HE ARG A 146 8.141 1.372 -0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 146 7.967 -1.690 -2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 146 9.685 -1.672 -2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 146 10.396 1.365 -0.697 1.00 0.00 H new ATOM 0 HH22 ARG A 146 11.069 0.067 -1.689 1.00 0.00 H new ATOM 453 N CYS A 147 3.314 2.788 1.112 1.00 0.00 N ATOM 454 CA CYS A 147 2.780 3.933 0.432 1.00 0.00 C ATOM 455 C CYS A 147 3.078 3.732 -1.038 1.00 0.00 C ATOM 456 O CYS A 147 4.125 3.203 -1.400 1.00 0.00 O ATOM 457 CB CYS A 147 3.446 5.208 0.973 1.00 0.00 C ATOM 458 SG CYS A 147 2.820 6.712 0.213 1.00 0.00 S ATOM 0 H CYS A 147 4.167 2.993 1.633 1.00 0.00 H new ATOM 0 HA CYS A 147 1.707 4.041 0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 147 3.291 5.262 2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 147 4.522 5.146 0.808 1.00 0.00 H new ATOM 463 N ALA A 148 2.123 4.092 -1.923 1.00 0.00 N ATOM 464 CA ALA A 148 2.221 3.752 -3.324 1.00 0.00 C ATOM 465 C ALA A 148 3.036 4.779 -4.063 1.00 0.00 C ATOM 466 O ALA A 148 3.621 4.466 -5.098 1.00 0.00 O ATOM 467 CB ALA A 148 0.847 3.611 -3.997 1.00 0.00 C ATOM 0 H ALA A 148 1.284 4.617 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 148 2.715 2.782 -3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 148 0.981 3.355 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 148 0.278 2.824 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 148 0.305 4.554 -3.920 1.00 0.00 H new ATOM 473 N LYS A 149 3.119 6.023 -3.529 1.00 0.00 N ATOM 474 CA LYS A 149 3.936 7.065 -4.103 1.00 0.00 C ATOM 475 C LYS A 149 5.310 6.996 -3.500 1.00 0.00 C ATOM 476 O LYS A 149 6.276 6.748 -4.221 1.00 0.00 O ATOM 477 CB LYS A 149 3.362 8.493 -3.917 1.00 0.00 C ATOM 478 CG LYS A 149 2.256 8.802 -4.942 1.00 0.00 C ATOM 479 CD LYS A 149 1.804 10.275 -5.023 1.00 0.00 C ATOM 480 CE LYS A 149 0.785 10.728 -3.964 1.00 0.00 C ATOM 481 NZ LYS A 149 1.390 10.862 -2.621 1.00 0.00 N ATOM 0 H LYS A 149 2.614 6.309 -2.690 1.00 0.00 H new ATOM 0 HA LYS A 149 3.961 6.886 -5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 149 2.962 8.595 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 149 4.165 9.223 -4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 149 2.605 8.495 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 149 1.387 8.188 -4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 149 2.687 10.910 -4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 149 1.374 10.448 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 149 0.355 11.684 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 149 -0.034 10.010 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 0.791 11.473 -2.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 1.469 9.923 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 2.336 11.284 -2.707 1.00 0.00 H new ATOM 495 N CYS A 150 5.443 7.230 -2.170 1.00 0.00 N ATOM 496 CA CYS A 150 6.733 7.515 -1.583 1.00 0.00 C ATOM 497 C CYS A 150 7.406 6.266 -1.052 1.00 0.00 C ATOM 498 O CYS A 150 8.633 6.215 -0.974 1.00 0.00 O ATOM 499 CB CYS A 150 6.673 8.673 -0.539 1.00 0.00 C ATOM 500 SG CYS A 150 6.078 8.294 1.146 1.00 0.00 S ATOM 0 H CYS A 150 4.668 7.222 -1.507 1.00 0.00 H new ATOM 0 HA CYS A 150 7.371 7.881 -2.387 1.00 0.00 H new ATOM 0 HB2 CYS A 150 7.675 9.092 -0.451 1.00 0.00 H new ATOM 0 HB3 CYS A 150 6.035 9.456 -0.948 1.00 0.00 H new ATOM 0 HG CYS A 150 4.915 7.718 1.076 1.00 0.00 H new ATOM 505 N GLY A 151 6.622 5.216 -0.711 1.00 0.00 N ATOM 506 CA GLY A 151 7.142 3.921 -0.332 1.00 0.00 C ATOM 507 C GLY A 151 7.438 3.789 1.130 1.00 0.00 C ATOM 508 O GLY A 151 8.087 2.824 1.534 1.00 0.00 O ATOM 0 H GLY A 151 5.603 5.265 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.422 3.154 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 151 8.054 3.728 -0.896 1.00 0.00 H new ATOM 512 N LYS A 152 6.987 4.759 1.962 1.00 0.00 N ATOM 513 CA LYS A 152 7.134 4.729 3.402 1.00 0.00 C ATOM 514 C LYS A 152 6.413 3.529 3.964 1.00 0.00 C ATOM 515 O LYS A 152 5.258 3.278 3.624 1.00 0.00 O ATOM 516 CB LYS A 152 6.565 6.010 4.058 1.00 0.00 C ATOM 517 CG LYS A 152 6.732 6.095 5.583 1.00 0.00 C ATOM 518 CD LYS A 152 6.194 7.414 6.162 1.00 0.00 C ATOM 519 CE LYS A 152 6.266 7.494 7.694 1.00 0.00 C ATOM 520 NZ LYS A 152 7.667 7.439 8.173 1.00 0.00 N ATOM 0 H LYS A 152 6.504 5.592 1.625 1.00 0.00 H new ATOM 0 HA LYS A 152 8.199 4.669 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 152 7.050 6.876 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.503 6.079 3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 152 6.212 5.258 6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 152 7.788 5.995 5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 152 6.759 8.244 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 152 5.158 7.541 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 152 5.800 8.419 8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 152 5.698 6.672 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 7.686 7.563 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 8.082 6.518 7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 8.218 8.198 7.723 1.00 0.00 H new ATOM 534 N SER A 153 7.119 2.742 4.814 1.00 0.00 N ATOM 535 CA SER A 153 6.613 1.508 5.365 1.00 0.00 C ATOM 536 C SER A 153 5.800 1.822 6.588 1.00 0.00 C ATOM 537 O SER A 153 6.196 2.625 7.433 1.00 0.00 O ATOM 538 CB SER A 153 7.718 0.471 5.694 1.00 0.00 C ATOM 539 OG SER A 153 8.724 0.999 6.551 1.00 0.00 O ATOM 0 H SER A 153 8.063 2.969 5.125 1.00 0.00 H new ATOM 0 HA SER A 153 5.994 1.039 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 153 7.265 -0.401 6.166 1.00 0.00 H new ATOM 0 HB3 SER A 153 8.178 0.129 4.767 1.00 0.00 H new ATOM 0 HG SER A 153 9.396 0.309 6.731 1.00 0.00 H new ATOM 545 N LEU A 154 4.601 1.207 6.649 1.00 0.00 N ATOM 546 CA LEU A 154 3.578 1.502 7.616 1.00 0.00 C ATOM 547 C LEU A 154 3.047 0.155 8.005 1.00 0.00 C ATOM 548 O LEU A 154 3.301 -0.834 7.319 1.00 0.00 O ATOM 549 CB LEU A 154 2.421 2.346 7.015 1.00 0.00 C ATOM 550 CG LEU A 154 2.895 3.621 6.270 1.00 0.00 C ATOM 551 CD1 LEU A 154 1.845 4.115 5.266 1.00 0.00 C ATOM 552 CD2 LEU A 154 3.322 4.751 7.223 1.00 0.00 C ATOM 0 H LEU A 154 4.331 0.471 5.996 1.00 0.00 H new ATOM 0 HA LEU A 154 3.980 2.083 8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 154 1.851 1.724 6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 154 1.742 2.637 7.817 1.00 0.00 H new ATOM 0 HG LEU A 154 3.785 3.328 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 154 2.214 5.010 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 154 1.654 3.337 4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 154 0.920 4.350 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 154 3.643 5.615 6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 154 2.480 5.032 7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 154 4.146 4.408 7.848 1.00 0.00 H new ATOM 564 N GLU A 155 2.296 0.082 9.130 1.00 0.00 N ATOM 565 CA GLU A 155 1.819 -1.171 9.670 1.00 0.00 C ATOM 566 C GLU A 155 0.572 -1.579 8.931 1.00 0.00 C ATOM 567 O GLU A 155 0.658 -2.308 7.945 1.00 0.00 O ATOM 568 CB GLU A 155 1.577 -1.109 11.199 1.00 0.00 C ATOM 569 CG GLU A 155 1.244 -2.476 11.828 1.00 0.00 C ATOM 570 CD GLU A 155 1.072 -2.322 13.337 1.00 0.00 C ATOM 571 OE1 GLU A 155 0.129 -1.599 13.754 1.00 0.00 O ATOM 572 OE2 GLU A 155 1.879 -2.927 14.092 1.00 0.00 O ATOM 0 H GLU A 155 2.016 0.899 9.672 1.00 0.00 H new ATOM 0 HA GLU A 155 2.594 -1.924 9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 155 2.465 -0.703 11.683 1.00 0.00 H new ATOM 0 HB3 GLU A 155 0.760 -0.417 11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 155 0.331 -2.877 11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 155 2.040 -3.189 11.614 1.00 0.00 H new ATOM 579 N SER A 156 -0.613 -1.114 9.394 1.00 0.00 N ATOM 580 CA SER A 156 -1.900 -1.457 8.839 1.00 0.00 C ATOM 581 C SER A 156 -2.402 -0.229 8.124 1.00 0.00 C ATOM 582 O SER A 156 -1.607 0.542 7.588 1.00 0.00 O ATOM 583 CB SER A 156 -2.885 -1.961 9.932 1.00 0.00 C ATOM 584 OG SER A 156 -3.021 -1.037 11.008 1.00 0.00 O ATOM 0 H SER A 156 -0.678 -0.474 10.186 1.00 0.00 H new ATOM 0 HA SER A 156 -1.815 -2.288 8.139 1.00 0.00 H new ATOM 0 HB2 SER A 156 -3.862 -2.138 9.483 1.00 0.00 H new ATOM 0 HB3 SER A 156 -2.535 -2.917 10.320 1.00 0.00 H new ATOM 0 HG SER A 156 -3.650 -1.395 11.669 1.00 0.00 H new ATOM 590 N THR A 157 -3.744 -0.017 8.099 1.00 0.00 N ATOM 591 CA THR A 157 -4.357 1.156 7.521 1.00 0.00 C ATOM 592 C THR A 157 -4.340 2.217 8.591 1.00 0.00 C ATOM 593 O THR A 157 -5.233 2.293 9.434 1.00 0.00 O ATOM 594 CB THR A 157 -5.781 0.943 7.027 1.00 0.00 C ATOM 595 OG1 THR A 157 -5.837 -0.185 6.163 1.00 0.00 O ATOM 596 CG2 THR A 157 -6.258 2.191 6.250 1.00 0.00 C ATOM 0 H THR A 157 -4.417 -0.676 8.490 1.00 0.00 H new ATOM 0 HA THR A 157 -3.792 1.437 6.632 1.00 0.00 H new ATOM 0 HB THR A 157 -6.426 0.774 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 157 -4.951 -0.345 5.776 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.278 2.033 5.899 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.231 3.061 6.907 1.00 0.00 H new ATOM 0 HG23 THR A 157 -5.602 2.361 5.396 1.00 0.00 H new ATOM 604 N THR A 158 -3.274 3.044 8.571 1.00 0.00 N ATOM 605 CA THR A 158 -3.048 4.130 9.493 1.00 0.00 C ATOM 606 C THR A 158 -3.116 5.419 8.716 1.00 0.00 C ATOM 607 O THR A 158 -3.202 6.505 9.289 1.00 0.00 O ATOM 608 CB THR A 158 -1.698 4.007 10.198 1.00 0.00 C ATOM 609 OG1 THR A 158 -0.615 3.879 9.277 1.00 0.00 O ATOM 610 CG2 THR A 158 -1.719 2.778 11.131 1.00 0.00 C ATOM 0 H THR A 158 -2.530 2.954 7.879 1.00 0.00 H new ATOM 0 HA THR A 158 -3.812 4.105 10.270 1.00 0.00 H new ATOM 0 HB THR A 158 -1.541 4.922 10.768 1.00 0.00 H new ATOM 0 HG1 THR A 158 0.228 3.805 9.771 1.00 0.00 H new ATOM 0 HG21 THR A 158 -0.757 2.688 11.635 1.00 0.00 H new ATOM 0 HG22 THR A 158 -2.508 2.898 11.873 1.00 0.00 H new ATOM 0 HG23 THR A 158 -1.907 1.879 10.544 1.00 0.00 H new ATOM 618 N LEU A 159 -3.063 5.292 7.375 1.00 0.00 N ATOM 619 CA LEU A 159 -2.888 6.354 6.426 1.00 0.00 C ATOM 620 C LEU A 159 -4.179 6.602 5.701 1.00 0.00 C ATOM 621 O LEU A 159 -5.201 5.976 5.981 1.00 0.00 O ATOM 622 CB LEU A 159 -1.761 6.048 5.405 1.00 0.00 C ATOM 623 CG LEU A 159 -1.956 4.830 4.455 1.00 0.00 C ATOM 624 CD1 LEU A 159 -0.947 4.927 3.296 1.00 0.00 C ATOM 625 CD2 LEU A 159 -1.874 3.448 5.137 1.00 0.00 C ATOM 0 H LEU A 159 -3.149 4.382 6.922 1.00 0.00 H new ATOM 0 HA LEU A 159 -2.593 7.245 6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -1.618 6.935 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -0.837 5.894 5.962 1.00 0.00 H new ATOM 0 HG LEU A 159 -2.980 4.892 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -1.079 4.077 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.114 5.852 2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 159 0.067 4.921 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -2.022 2.666 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.894 3.328 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -2.647 3.373 5.901 1.00 0.00 H new ATOM 637 N THR A 160 -4.138 7.555 4.738 1.00 0.00 N ATOM 638 CA THR A 160 -5.259 7.961 3.927 1.00 0.00 C ATOM 639 C THR A 160 -5.290 7.108 2.683 1.00 0.00 C ATOM 640 O THR A 160 -4.289 6.503 2.298 1.00 0.00 O ATOM 641 CB THR A 160 -5.213 9.438 3.557 1.00 0.00 C ATOM 642 OG1 THR A 160 -3.955 9.797 2.993 1.00 0.00 O ATOM 643 CG2 THR A 160 -5.449 10.273 4.832 1.00 0.00 C ATOM 0 H THR A 160 -3.284 8.066 4.515 1.00 0.00 H new ATOM 0 HA THR A 160 -6.169 7.819 4.511 1.00 0.00 H new ATOM 0 HB THR A 160 -5.986 9.633 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 160 -4.054 10.618 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 160 -5.419 11.334 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 160 -6.424 10.027 5.253 1.00 0.00 H new ATOM 0 HG23 THR A 160 -4.671 10.050 5.562 1.00 0.00 H new ATOM 651 N GLU A 161 -6.482 7.029 2.049 1.00 0.00 N ATOM 652 CA GLU A 161 -6.720 6.197 0.896 1.00 0.00 C ATOM 653 C GLU A 161 -7.444 7.070 -0.088 1.00 0.00 C ATOM 654 O GLU A 161 -8.443 7.700 0.259 1.00 0.00 O ATOM 655 CB GLU A 161 -7.584 4.955 1.228 1.00 0.00 C ATOM 656 CG GLU A 161 -7.040 4.177 2.444 1.00 0.00 C ATOM 657 CD GLU A 161 -7.761 2.843 2.619 1.00 0.00 C ATOM 658 OE1 GLU A 161 -9.021 2.836 2.626 1.00 0.00 O ATOM 659 OE2 GLU A 161 -7.053 1.812 2.767 1.00 0.00 O ATOM 0 H GLU A 161 -7.303 7.557 2.345 1.00 0.00 H new ATOM 0 HA GLU A 161 -5.776 5.812 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -8.608 5.270 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -7.617 4.295 0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -5.972 4.001 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -7.159 4.778 3.346 1.00 0.00 H new ATOM 666 N LYS A 162 -6.926 7.157 -1.334 1.00 0.00 N ATOM 667 CA LYS A 162 -7.501 8.015 -2.352 1.00 0.00 C ATOM 668 C LYS A 162 -7.143 7.273 -3.590 1.00 0.00 C ATOM 669 O LYS A 162 -6.008 6.763 -3.637 1.00 0.00 O ATOM 670 CB LYS A 162 -6.848 9.418 -2.364 1.00 0.00 C ATOM 671 CG LYS A 162 -7.434 10.397 -3.393 1.00 0.00 C ATOM 672 CD LYS A 162 -6.780 11.789 -3.352 1.00 0.00 C ATOM 673 CE LYS A 162 -5.323 11.808 -3.841 1.00 0.00 C ATOM 674 NZ LYS A 162 -4.745 13.168 -3.739 1.00 0.00 N ATOM 0 H LYS A 162 -6.107 6.634 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 162 -8.566 8.200 -2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -6.946 9.856 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -5.782 9.304 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -7.315 9.977 -4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -8.504 10.501 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -7.367 12.474 -3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -6.815 12.166 -2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -4.728 11.111 -3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -5.279 11.467 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -3.761 13.153 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -5.300 13.826 -4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -4.767 13.481 -2.748 1.00 0.00 H new ATOM 688 N GLU A 163 -8.069 7.043 -4.598 1.00 0.00 N ATOM 689 CA GLU A 163 -7.510 6.095 -5.527 1.00 0.00 C ATOM 690 C GLU A 163 -7.573 4.701 -4.963 1.00 0.00 C ATOM 691 O GLU A 163 -7.216 4.545 -3.802 1.00 0.00 O ATOM 692 CB GLU A 163 -6.304 6.392 -6.478 1.00 0.00 C ATOM 693 CG GLU A 163 -6.591 7.438 -7.574 1.00 0.00 C ATOM 694 CD GLU A 163 -6.747 8.841 -6.992 1.00 0.00 C ATOM 695 OE1 GLU A 163 -5.730 9.384 -6.484 1.00 0.00 O ATOM 696 OE2 GLU A 163 -7.878 9.391 -7.058 1.00 0.00 O ATOM 0 H GLU A 163 -9.003 7.426 -4.744 1.00 0.00 H new ATOM 0 HA GLU A 163 -8.198 6.253 -6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -5.462 6.736 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -5.997 5.461 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -5.779 7.434 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -7.500 7.163 -8.109 1.00 0.00 H new ATOM 703 N GLY A 164 -8.371 3.730 -5.386 1.00 0.00 N ATOM 704 CA GLY A 164 -7.833 2.393 -5.026 1.00 0.00 C ATOM 705 C GLY A 164 -6.275 2.072 -4.924 1.00 0.00 C ATOM 706 O GLY A 164 -5.905 0.924 -5.165 1.00 0.00 O ATOM 0 H GLY A 164 -9.252 3.794 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -8.263 2.139 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -8.245 1.691 -5.751 1.00 0.00 H new ATOM 710 N GLU A 165 -5.344 3.032 -4.527 1.00 0.00 N ATOM 711 CA GLU A 165 -4.043 2.777 -3.976 1.00 0.00 C ATOM 712 C GLU A 165 -3.989 3.633 -2.726 1.00 0.00 C ATOM 713 O GLU A 165 -4.769 4.571 -2.537 1.00 0.00 O ATOM 714 CB GLU A 165 -2.866 3.184 -4.890 1.00 0.00 C ATOM 715 CG GLU A 165 -2.826 2.391 -6.206 1.00 0.00 C ATOM 716 CD GLU A 165 -1.530 2.706 -6.952 1.00 0.00 C ATOM 717 OE1 GLU A 165 -1.339 3.891 -7.337 1.00 0.00 O ATOM 718 OE2 GLU A 165 -0.712 1.766 -7.142 1.00 0.00 O ATOM 0 H GLU A 165 -5.539 4.030 -4.607 1.00 0.00 H new ATOM 0 HA GLU A 165 -3.927 1.705 -3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -2.939 4.248 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -1.929 3.035 -4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -2.889 1.322 -6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -3.686 2.649 -6.824 1.00 0.00 H new ATOM 725 N ILE A 166 -3.050 3.310 -1.811 1.00 0.00 N ATOM 726 CA ILE A 166 -2.904 4.019 -0.561 1.00 0.00 C ATOM 727 C ILE A 166 -1.745 4.968 -0.726 1.00 0.00 C ATOM 728 O ILE A 166 -0.767 4.643 -1.393 1.00 0.00 O ATOM 729 CB ILE A 166 -2.732 3.086 0.631 1.00 0.00 C ATOM 730 CG1 ILE A 166 -1.474 2.189 0.525 1.00 0.00 C ATOM 731 CG2 ILE A 166 -4.024 2.249 0.745 1.00 0.00 C ATOM 732 CD1 ILE A 166 -1.312 1.208 1.690 1.00 0.00 C ATOM 0 H ILE A 166 -2.382 2.549 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 166 -3.816 4.572 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 166 -2.572 3.677 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 166 -1.518 1.626 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 166 -0.590 2.824 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 166 -3.941 1.565 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 166 -4.875 2.913 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 166 -4.169 1.677 -0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 166 -0.409 0.615 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 166 -1.234 1.763 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 166 -2.177 0.546 1.732 1.00 0.00 H new ATOM 744 N TYR A 167 -1.856 6.190 -0.154 1.00 0.00 N ATOM 745 CA TYR A 167 -0.849 7.224 -0.280 1.00 0.00 C ATOM 746 C TYR A 167 -0.847 7.902 1.058 1.00 0.00 C ATOM 747 O TYR A 167 -1.916 8.044 1.648 1.00 0.00 O ATOM 748 CB TYR A 167 -1.178 8.359 -1.287 1.00 0.00 C ATOM 749 CG TYR A 167 -1.560 7.871 -2.655 1.00 0.00 C ATOM 750 CD1 TYR A 167 -0.680 7.107 -3.437 1.00 0.00 C ATOM 751 CD2 TYR A 167 -2.796 8.252 -3.202 1.00 0.00 C ATOM 752 CE1 TYR A 167 -1.028 6.736 -4.743 1.00 0.00 C ATOM 753 CE2 TYR A 167 -3.145 7.885 -4.504 1.00 0.00 C ATOM 754 CZ TYR A 167 -2.263 7.124 -5.279 1.00 0.00 C ATOM 755 OH TYR A 167 -2.615 6.760 -6.598 1.00 0.00 O ATOM 0 H TYR A 167 -2.660 6.470 0.408 1.00 0.00 H new ATOM 0 HA TYR A 167 0.072 6.747 -0.616 1.00 0.00 H new ATOM 0 HB2 TYR A 167 -1.994 8.961 -0.886 1.00 0.00 H new ATOM 0 HB3 TYR A 167 -0.312 9.015 -1.375 1.00 0.00 H new ATOM 0 HD1 TYR A 167 0.273 6.803 -3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 167 -3.485 8.836 -2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 167 -0.343 6.150 -5.337 1.00 0.00 H new ATOM 0 HE2 TYR A 167 -4.097 8.189 -4.913 1.00 0.00 H new ATOM 0 HH TYR A 167 -2.222 5.888 -6.813 1.00 0.00 H new ATOM 765 N CYS A 168 0.329 8.302 1.610 1.00 0.00 N ATOM 766 CA CYS A 168 0.394 8.588 3.025 1.00 0.00 C ATOM 767 C CYS A 168 0.349 10.063 3.292 1.00 0.00 C ATOM 768 O CYS A 168 0.533 10.894 2.403 1.00 0.00 O ATOM 769 CB CYS A 168 1.548 7.864 3.777 1.00 0.00 C ATOM 770 SG CYS A 168 3.244 8.474 3.533 1.00 0.00 S ATOM 0 H CYS A 168 1.203 8.424 1.099 1.00 0.00 H new ATOM 0 HA CYS A 168 -0.509 8.154 3.455 1.00 0.00 H new ATOM 0 HB2 CYS A 168 1.329 7.906 4.844 1.00 0.00 H new ATOM 0 HB3 CYS A 168 1.527 6.813 3.488 1.00 0.00 H new ATOM 775 N LYS A 169 0.068 10.399 4.570 1.00 0.00 N ATOM 776 CA LYS A 169 -0.055 11.741 5.082 1.00 0.00 C ATOM 777 C LYS A 169 1.282 12.433 5.187 1.00 0.00 C ATOM 778 O LYS A 169 1.340 13.655 5.314 1.00 0.00 O ATOM 779 CB LYS A 169 -0.757 11.746 6.461 1.00 0.00 C ATOM 780 CG LYS A 169 -0.048 10.910 7.545 1.00 0.00 C ATOM 781 CD LYS A 169 -0.812 10.799 8.879 1.00 0.00 C ATOM 782 CE LYS A 169 -1.842 9.656 8.951 1.00 0.00 C ATOM 783 NZ LYS A 169 -3.024 9.888 8.087 1.00 0.00 N ATOM 0 H LYS A 169 -0.083 9.693 5.290 1.00 0.00 H new ATOM 0 HA LYS A 169 -0.665 12.294 4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -0.837 12.776 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -1.773 11.371 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 169 0.123 9.906 7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 169 0.931 11.348 7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -0.089 10.666 9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -1.326 11.742 9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -1.362 8.722 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -2.171 9.535 9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -3.814 9.295 8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -3.300 10.889 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -2.789 9.643 7.104 1.00 0.00 H new ATOM 797 N GLY A 170 2.392 11.657 5.120 1.00 0.00 N ATOM 798 CA GLY A 170 3.740 12.155 5.218 1.00 0.00 C ATOM 799 C GLY A 170 4.166 12.791 3.929 1.00 0.00 C ATOM 800 O GLY A 170 4.852 13.810 3.943 1.00 0.00 O ATOM 0 H GLY A 170 2.347 10.646 4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 170 3.806 12.882 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 170 4.417 11.338 5.467 1.00 0.00 H new ATOM 804 N CYS A 171 3.760 12.200 2.779 1.00 0.00 N ATOM 805 CA CYS A 171 4.075 12.710 1.463 1.00 0.00 C ATOM 806 C CYS A 171 3.021 13.677 0.993 1.00 0.00 C ATOM 807 O CYS A 171 3.235 14.380 0.009 1.00 0.00 O ATOM 808 CB CYS A 171 4.279 11.595 0.409 1.00 0.00 C ATOM 809 SG CYS A 171 2.971 10.366 0.344 1.00 0.00 S ATOM 0 H CYS A 171 3.200 11.348 2.761 1.00 0.00 H new ATOM 0 HA CYS A 171 5.027 13.232 1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.372 12.057 -0.574 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.223 11.089 0.614 1.00 0.00 H new ATOM 0 HG CYS A 171 3.423 9.228 0.780 1.00 0.00 H new ATOM 814 N TYR A 172 1.871 13.767 1.708 1.00 0.00 N ATOM 815 CA TYR A 172 0.883 14.804 1.484 1.00 0.00 C ATOM 816 C TYR A 172 1.356 16.081 2.133 1.00 0.00 C ATOM 817 O TYR A 172 1.017 17.171 1.676 1.00 0.00 O ATOM 818 CB TYR A 172 -0.507 14.485 2.095 1.00 0.00 C ATOM 819 CG TYR A 172 -1.332 13.465 1.339 1.00 0.00 C ATOM 820 CD1 TYR A 172 -0.917 12.783 0.174 1.00 0.00 C ATOM 821 CD2 TYR A 172 -2.628 13.225 1.827 1.00 0.00 C ATOM 822 CE1 TYR A 172 -1.781 11.891 -0.475 1.00 0.00 C ATOM 823 CE2 TYR A 172 -3.495 12.344 1.174 1.00 0.00 C ATOM 824 CZ TYR A 172 -3.071 11.668 0.026 1.00 0.00 C ATOM 825 OH TYR A 172 -3.947 10.768 -0.618 1.00 0.00 O ATOM 0 H TYR A 172 1.621 13.114 2.451 1.00 0.00 H new ATOM 0 HA TYR A 172 0.773 14.886 0.403 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -0.363 14.127 3.114 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -1.077 15.412 2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 172 0.075 12.950 -0.220 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -2.960 13.730 2.722 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -1.452 11.374 -1.364 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -4.493 12.186 1.556 1.00 0.00 H new ATOM 0 HH TYR A 172 -4.798 10.737 -0.133 1.00 0.00 H new ATOM 835 N ALA A 173 2.173 15.965 3.211 1.00 0.00 N ATOM 836 CA ALA A 173 2.737 17.086 3.927 1.00 0.00 C ATOM 837 C ALA A 173 3.844 17.722 3.125 1.00 0.00 C ATOM 838 O ALA A 173 4.071 18.927 3.222 1.00 0.00 O ATOM 839 CB ALA A 173 3.311 16.673 5.295 1.00 0.00 C ATOM 0 H ALA A 173 2.450 15.062 3.596 1.00 0.00 H new ATOM 0 HA ALA A 173 1.923 17.793 4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 173 3.724 17.549 5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 173 2.518 16.244 5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 173 4.098 15.933 5.151 1.00 0.00 H new ATOM 845 N LYS A 174 4.539 16.914 2.285 1.00 0.00 N ATOM 846 CA LYS A 174 5.562 17.373 1.374 1.00 0.00 C ATOM 847 C LYS A 174 4.900 18.063 0.211 1.00 0.00 C ATOM 848 O LYS A 174 5.245 19.194 -0.128 1.00 0.00 O ATOM 849 CB LYS A 174 6.417 16.211 0.815 1.00 0.00 C ATOM 850 CG LYS A 174 7.218 15.474 1.899 1.00 0.00 C ATOM 851 CD LYS A 174 7.973 14.250 1.357 1.00 0.00 C ATOM 852 CE LYS A 174 8.612 13.383 2.451 1.00 0.00 C ATOM 853 NZ LYS A 174 9.635 14.138 3.212 1.00 0.00 N ATOM 0 H LYS A 174 4.384 15.907 2.238 1.00 0.00 H new ATOM 0 HA LYS A 174 6.217 18.045 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 174 5.765 15.500 0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 174 7.106 16.603 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 174 7.931 16.164 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 174 6.540 15.155 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 174 7.283 13.637 0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 174 8.752 14.588 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 174 7.839 13.027 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 174 9.069 12.503 1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 10.047 13.524 3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 10.384 14.457 2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 9.193 14.964 3.663 1.00 0.00 H new ATOM 867 N ASN A 175 3.909 17.380 -0.410 1.00 0.00 N ATOM 868 CA ASN A 175 3.156 17.884 -1.529 1.00 0.00 C ATOM 869 C ASN A 175 2.073 18.821 -0.967 1.00 0.00 C ATOM 870 O ASN A 175 2.096 20.032 -1.311 1.00 0.00 O ATOM 871 CB ASN A 175 2.480 16.732 -2.318 1.00 0.00 C ATOM 872 CG ASN A 175 1.812 17.247 -3.603 1.00 0.00 C ATOM 873 OD1 ASN A 175 2.487 17.791 -4.486 1.00 0.00 O ATOM 874 ND2 ASN A 175 0.459 17.064 -3.696 1.00 0.00 N ATOM 0 H ASN A 175 3.623 16.444 -0.122 1.00 0.00 H new ATOM 0 HA ASN A 175 3.823 18.407 -2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 175 3.224 15.977 -2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 175 1.734 16.247 -1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -0.043 17.383 -4.525 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -0.047 16.609 -2.937 1.00 0.00 H new TER 881 ASN A 175 HETATM 882 ZN ZN A 195 5.101 -8.164 2.435 1.00 0.00 ZN HETATM 883 ZN ZN A 196 3.353 8.768 1.021 1.00 0.00 ZN