USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 437 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 141 HIS HD1 : A 141 HIS ND1 : A 191 ZNZN :(H bumps) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc=0.000178 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 154:sc= -0.0569 (180deg=-1.16) USER MOD Single : A 138 LYS NZ :NH3+ -121:sc= 1.2 (180deg=-0.369) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 THR OG1 : rot -25:sc= 0.462 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot -35:sc= 0.182 USER MOD Single : A 157 THR OG1 : rot -31:sc= 0.221 USER MOD Single : A 158 ASN : amide:sc=-0.00939 K(o=-0.0094,f=-1.3) USER MOD Single : A 160 THR OG1 : rot 31:sc= 0.0973 USER MOD Single : A 162 LYS NZ :NH3+ 144:sc= 1.15 (180deg=0.608) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0648) 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= -0.149 K(o=-0.15,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 12.956 4.587 -0.130 1.00 0.89 N ATOM 2 CA LYS A 119 13.604 3.303 -0.375 1.00 0.80 C ATOM 3 C LYS A 119 12.659 2.151 -0.059 1.00 0.78 C ATOM 4 O LYS A 119 11.871 2.229 0.884 1.00 0.90 O ATOM 5 CB LYS A 119 14.872 3.171 0.483 1.00 0.93 C ATOM 6 CG LYS A 119 15.993 4.126 0.088 1.00 1.51 C ATOM 7 CD LYS A 119 17.188 4.029 1.030 1.00 1.54 C ATOM 8 CE LYS A 119 16.870 4.617 2.397 1.00 2.16 C ATOM 9 NZ LYS A 119 18.038 4.567 3.314 1.00 2.76 N ATOM 0 HA LYS A 119 13.875 3.260 -1.430 1.00 0.80 H new ATOM 0 HB2 LYS A 119 14.611 3.346 1.527 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.240 2.147 0.413 1.00 0.93 H new ATOM 0 HG2 LYS A 119 16.315 3.905 -0.930 1.00 1.51 H new ATOM 0 HG3 LYS A 119 15.614 5.148 0.087 1.00 1.51 H new ATOM 0 HD2 LYS A 119 17.481 2.985 1.141 1.00 1.54 H new ATOM 0 HD3 LYS A 119 18.039 4.554 0.596 1.00 1.54 H new ATOM 0 HE2 LYS A 119 16.546 5.651 2.280 1.00 2.16 H new ATOM 0 HE3 LYS A 119 16.038 4.071 2.841 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 17.776 4.978 4.233 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 18.332 3.578 3.448 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 18.825 5.110 2.904 1.00 2.76 H new ATOM 23 N CYS A 120 12.756 1.090 -0.848 1.00 0.70 N ATOM 24 CA CYS A 120 11.973 -0.114 -0.634 1.00 0.72 C ATOM 25 C CYS A 120 12.659 -1.012 0.388 1.00 0.76 C ATOM 26 O CYS A 120 13.761 -1.516 0.142 1.00 0.80 O ATOM 27 CB CYS A 120 11.800 -0.864 -1.959 1.00 0.67 C ATOM 28 SG CYS A 120 11.077 -2.528 -1.810 1.00 0.74 S ATOM 0 H CYS A 120 13.380 1.042 -1.653 1.00 0.70 H new ATOM 0 HA CYS A 120 10.991 0.166 -0.252 1.00 0.72 H new ATOM 0 HB2 CYS A 120 11.169 -0.267 -2.618 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.774 -0.949 -2.441 1.00 0.67 H new ATOM 33 N PRO A 121 12.018 -1.220 1.551 1.00 0.79 N ATOM 34 CA PRO A 121 12.552 -2.070 2.617 1.00 0.87 C ATOM 35 C PRO A 121 12.420 -3.556 2.289 1.00 0.90 C ATOM 36 O PRO A 121 12.982 -4.406 2.980 1.00 1.00 O ATOM 37 CB PRO A 121 11.683 -1.706 3.824 1.00 0.96 C ATOM 38 CG PRO A 121 10.386 -1.272 3.236 1.00 1.00 C ATOM 39 CD PRO A 121 10.715 -0.631 1.914 1.00 0.82 C ATOM 0 HA PRO A 121 13.618 -1.908 2.779 1.00 0.87 H new ATOM 0 HB2 PRO A 121 11.551 -2.559 4.489 1.00 0.96 H new ATOM 0 HB3 PRO A 121 12.137 -0.910 4.414 1.00 0.96 H new ATOM 0 HG2 PRO A 121 9.717 -2.122 3.100 1.00 1.00 H new ATOM 0 HG3 PRO A 121 9.877 -0.567 3.894 1.00 1.00 H new ATOM 0 HD2 PRO A 121 9.955 -0.849 1.164 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.777 0.454 2.000 1.00 0.82 H new ATOM 47 N ARG A 122 11.697 -3.864 1.219 1.00 0.86 N ATOM 48 CA ARG A 122 11.481 -5.246 0.818 1.00 0.94 C ATOM 49 C ARG A 122 12.705 -5.766 0.080 1.00 0.90 C ATOM 50 O ARG A 122 13.295 -6.779 0.459 1.00 1.05 O ATOM 51 CB ARG A 122 10.246 -5.361 -0.084 1.00 0.98 C ATOM 52 CG ARG A 122 9.860 -6.792 -0.417 1.00 0.97 C ATOM 53 CD ARG A 122 9.385 -7.531 0.820 1.00 1.11 C ATOM 54 NE ARG A 122 8.983 -8.903 0.524 1.00 1.54 N ATOM 55 CZ ARG A 122 7.813 -9.424 0.888 1.00 1.95 C ATOM 56 NH1 ARG A 122 6.915 -8.668 1.501 1.00 2.03 N ATOM 57 NH2 ARG A 122 7.547 -10.700 0.637 1.00 2.82 N ATOM 0 H ARG A 122 11.251 -3.174 0.614 1.00 0.86 H new ATOM 0 HA ARG A 122 11.315 -5.844 1.714 1.00 0.94 H new ATOM 0 HB2 ARG A 122 9.404 -4.872 0.405 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.434 -4.820 -1.012 1.00 0.98 H new ATOM 0 HG2 ARG A 122 9.072 -6.794 -1.170 1.00 0.97 H new ATOM 0 HG3 ARG A 122 10.715 -7.312 -0.849 1.00 0.97 H new ATOM 0 HD2 ARG A 122 10.182 -7.540 1.564 1.00 1.11 H new ATOM 0 HD3 ARG A 122 8.544 -6.995 1.261 1.00 1.11 H new ATOM 0 HE ARG A 122 9.635 -9.495 0.010 1.00 1.54 H new ATOM 0 HH11 ARG A 122 7.120 -7.688 1.694 1.00 2.03 H new ATOM 0 HH12 ARG A 122 6.018 -9.066 1.780 1.00 2.03 H new ATOM 0 HH21 ARG A 122 8.239 -11.282 0.165 1.00 2.82 H new ATOM 0 HH22 ARG A 122 6.651 -11.099 0.916 1.00 2.82 H new ATOM 71 N CYS A 123 13.090 -5.049 -0.960 1.00 0.76 N ATOM 72 CA CYS A 123 14.212 -5.453 -1.784 1.00 0.78 C ATOM 73 C CYS A 123 15.509 -4.806 -1.291 1.00 0.76 C ATOM 74 O CYS A 123 16.606 -5.276 -1.596 1.00 0.86 O ATOM 75 CB CYS A 123 13.941 -5.066 -3.235 1.00 0.77 C ATOM 76 SG CYS A 123 12.258 -5.479 -3.809 1.00 0.88 S ATOM 0 H CYS A 123 12.640 -4.182 -1.254 1.00 0.76 H new ATOM 0 HA CYS A 123 14.330 -6.534 -1.716 1.00 0.78 H new ATOM 0 HB2 CYS A 123 14.101 -3.994 -3.351 1.00 0.77 H new ATOM 0 HB3 CYS A 123 14.666 -5.567 -3.876 1.00 0.77 H new ATOM 81 N GLY A 124 15.367 -3.736 -0.513 1.00 0.70 N ATOM 82 CA GLY A 124 16.521 -3.010 -0.014 1.00 0.73 C ATOM 83 C GLY A 124 17.070 -2.061 -1.057 1.00 0.71 C ATOM 84 O GLY A 124 18.268 -1.770 -1.091 1.00 0.85 O ATOM 0 H GLY A 124 14.467 -3.357 -0.218 1.00 0.70 H new ATOM 0 HA2 GLY A 124 16.242 -2.450 0.879 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.297 -3.716 0.282 1.00 0.73 H new ATOM 88 N LYS A 125 16.177 -1.556 -1.896 1.00 0.61 N ATOM 89 CA LYS A 125 16.562 -0.761 -3.053 1.00 0.61 C ATOM 90 C LYS A 125 15.738 0.518 -3.108 1.00 0.57 C ATOM 91 O LYS A 125 14.538 0.496 -2.855 1.00 0.60 O ATOM 92 CB LYS A 125 16.339 -1.585 -4.321 1.00 0.63 C ATOM 93 CG LYS A 125 16.861 -0.940 -5.594 1.00 1.30 C ATOM 94 CD LYS A 125 16.428 -1.733 -6.810 1.00 1.71 C ATOM 95 CE LYS A 125 17.108 -1.249 -8.079 1.00 2.44 C ATOM 96 NZ LYS A 125 16.609 -1.979 -9.273 1.00 2.99 N ATOM 0 H LYS A 125 15.170 -1.685 -1.795 1.00 0.61 H new ATOM 0 HA LYS A 125 17.615 -0.490 -2.975 1.00 0.61 H new ATOM 0 HB2 LYS A 125 16.820 -2.555 -4.197 1.00 0.63 H new ATOM 0 HB3 LYS A 125 15.271 -1.771 -4.435 1.00 0.63 H new ATOM 0 HG2 LYS A 125 16.490 0.082 -5.669 1.00 1.30 H new ATOM 0 HG3 LYS A 125 17.949 -0.882 -5.559 1.00 1.30 H new ATOM 0 HD2 LYS A 125 16.658 -2.787 -6.655 1.00 1.71 H new ATOM 0 HD3 LYS A 125 15.347 -1.656 -6.926 1.00 1.71 H new ATOM 0 HE2 LYS A 125 16.931 -0.181 -8.204 1.00 2.44 H new ATOM 0 HE3 LYS A 125 18.186 -1.386 -7.991 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 17.093 -1.626 -10.123 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 16.800 -2.995 -9.163 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 15.585 -1.828 -9.369 1.00 2.99 H new ATOM 110 N SER A 126 16.388 1.624 -3.434 1.00 0.66 N ATOM 111 CA SER A 126 15.724 2.918 -3.518 1.00 0.68 C ATOM 112 C SER A 126 14.590 2.903 -4.550 1.00 0.57 C ATOM 113 O SER A 126 14.630 2.148 -5.527 1.00 0.66 O ATOM 114 CB SER A 126 16.744 3.995 -3.884 1.00 0.89 C ATOM 115 OG SER A 126 17.896 3.900 -3.060 1.00 1.37 O ATOM 0 H SER A 126 17.385 1.652 -3.647 1.00 0.66 H new ATOM 0 HA SER A 126 15.287 3.138 -2.544 1.00 0.68 H new ATOM 0 HB2 SER A 126 17.030 3.890 -4.930 1.00 0.89 H new ATOM 0 HB3 SER A 126 16.293 4.981 -3.774 1.00 0.89 H new ATOM 0 HG SER A 126 18.537 4.597 -3.312 1.00 1.37 H new ATOM 121 N VAL A 127 13.575 3.726 -4.314 1.00 0.52 N ATOM 122 CA VAL A 127 12.454 3.852 -5.236 1.00 0.45 C ATOM 123 C VAL A 127 12.167 5.320 -5.497 1.00 0.58 C ATOM 124 O VAL A 127 12.201 6.132 -4.575 1.00 0.80 O ATOM 125 CB VAL A 127 11.163 3.216 -4.684 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.110 3.110 -5.775 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.429 1.859 -4.070 1.00 0.71 C ATOM 0 H VAL A 127 13.506 4.319 -3.487 1.00 0.52 H new ATOM 0 HA VAL A 127 12.741 3.331 -6.149 1.00 0.45 H new ATOM 0 HB VAL A 127 10.786 3.868 -3.896 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.206 2.659 -5.366 1.00 0.63 H new ATOM 0 HG12 VAL A 127 9.879 4.105 -6.155 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.489 2.490 -6.588 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.496 1.442 -3.692 1.00 0.71 H new ATOM 0 HG22 VAL A 127 11.844 1.193 -4.826 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.139 1.964 -3.249 1.00 0.71 H new ATOM 137 N TYR A 128 11.889 5.668 -6.741 1.00 0.60 N ATOM 138 CA TYR A 128 11.537 7.038 -7.046 1.00 0.78 C ATOM 139 C TYR A 128 10.198 7.106 -7.785 1.00 0.58 C ATOM 140 O TYR A 128 9.483 6.106 -7.858 1.00 0.48 O ATOM 141 CB TYR A 128 12.656 7.722 -7.840 1.00 1.14 C ATOM 142 CG TYR A 128 12.630 9.231 -7.719 1.00 2.06 C ATOM 143 CD1 TYR A 128 12.197 9.858 -6.559 1.00 2.80 C ATOM 144 CD2 TYR A 128 13.058 10.029 -8.774 1.00 2.76 C ATOM 145 CE1 TYR A 128 12.186 11.236 -6.457 1.00 3.75 C ATOM 146 CE2 TYR A 128 13.053 11.401 -8.679 1.00 3.69 C ATOM 147 CZ TYR A 128 12.551 11.997 -7.479 1.00 4.06 C ATOM 148 OH TYR A 128 12.610 13.371 -7.420 1.00 5.08 O ATOM 0 H TYR A 128 11.900 5.034 -7.540 1.00 0.60 H new ATOM 0 HA TYR A 128 11.420 7.580 -6.108 1.00 0.78 H new ATOM 0 HB2 TYR A 128 13.620 7.352 -7.491 1.00 1.14 H new ATOM 0 HB3 TYR A 128 12.570 7.446 -8.891 1.00 1.14 H new ATOM 0 HD1 TYR A 128 11.864 9.260 -5.724 1.00 2.80 H new ATOM 0 HD2 TYR A 128 13.401 9.562 -9.686 1.00 2.76 H new ATOM 0 HE1 TYR A 128 11.876 11.699 -5.532 1.00 3.75 H new ATOM 0 HE2 TYR A 128 13.419 12.013 -9.490 1.00 3.69 H new ATOM 0 HH TYR A 128 12.904 13.723 -8.286 1.00 5.08 H new ATOM 158 N ALA A 129 9.878 8.276 -8.333 1.00 0.69 N ATOM 159 CA ALA A 129 8.550 8.575 -8.877 1.00 0.74 C ATOM 160 C ALA A 129 8.042 7.519 -9.862 1.00 0.75 C ATOM 161 O ALA A 129 6.854 7.194 -9.862 1.00 0.87 O ATOM 162 CB ALA A 129 8.577 9.940 -9.547 1.00 0.95 C ATOM 0 H ALA A 129 10.536 9.051 -8.414 1.00 0.69 H new ATOM 0 HA ALA A 129 7.854 8.571 -8.038 1.00 0.74 H new ATOM 0 HB1 ALA A 129 7.591 10.166 -9.953 1.00 0.95 H new ATOM 0 HB2 ALA A 129 8.851 10.699 -8.815 1.00 0.95 H new ATOM 0 HB3 ALA A 129 9.309 9.935 -10.355 1.00 0.95 H new ATOM 168 N ALA A 130 8.943 6.968 -10.670 1.00 0.80 N ATOM 169 CA ALA A 130 8.565 6.046 -11.743 1.00 1.00 C ATOM 170 C ALA A 130 7.724 4.877 -11.234 1.00 0.91 C ATOM 171 O ALA A 130 6.722 4.512 -11.854 1.00 1.16 O ATOM 172 CB ALA A 130 9.806 5.528 -12.455 1.00 1.21 C ATOM 0 H ALA A 130 9.946 7.143 -10.603 1.00 0.80 H new ATOM 0 HA ALA A 130 7.949 6.606 -12.447 1.00 1.00 H new ATOM 0 HB1 ALA A 130 9.510 4.844 -13.250 1.00 1.21 H new ATOM 0 HB2 ALA A 130 10.356 6.366 -12.883 1.00 1.21 H new ATOM 0 HB3 ALA A 130 10.442 5.003 -11.742 1.00 1.21 H new ATOM 178 N GLU A 131 8.104 4.311 -10.098 1.00 0.68 N ATOM 179 CA GLU A 131 7.384 3.173 -9.549 1.00 0.65 C ATOM 180 C GLU A 131 6.934 3.430 -8.119 1.00 0.46 C ATOM 181 O GLU A 131 6.569 2.496 -7.420 1.00 0.50 O ATOM 182 CB GLU A 131 8.246 1.907 -9.598 1.00 0.87 C ATOM 183 CG GLU A 131 8.488 1.387 -11.003 1.00 1.41 C ATOM 184 CD GLU A 131 9.162 0.032 -11.018 1.00 1.70 C ATOM 185 OE1 GLU A 131 8.564 -0.940 -10.511 1.00 1.99 O ATOM 186 OE2 GLU A 131 10.304 -0.062 -11.520 1.00 2.44 O ATOM 0 H GLU A 131 8.902 4.619 -9.542 1.00 0.68 H new ATOM 0 HA GLU A 131 6.498 3.027 -10.166 1.00 0.65 H new ATOM 0 HB2 GLU A 131 9.207 2.114 -9.126 1.00 0.87 H new ATOM 0 HB3 GLU A 131 7.763 1.127 -9.010 1.00 0.87 H new ATOM 0 HG2 GLU A 131 7.536 1.320 -11.530 1.00 1.41 H new ATOM 0 HG3 GLU A 131 9.105 2.101 -11.549 1.00 1.41 H new ATOM 193 N LYS A 132 6.947 4.691 -7.689 1.00 0.44 N ATOM 194 CA LYS A 132 6.595 5.024 -6.307 1.00 0.42 C ATOM 195 C LYS A 132 5.136 4.674 -5.992 1.00 0.44 C ATOM 196 O LYS A 132 4.224 5.479 -6.197 1.00 0.58 O ATOM 197 CB LYS A 132 6.864 6.513 -5.998 1.00 0.55 C ATOM 198 CG LYS A 132 6.338 6.968 -4.640 1.00 0.65 C ATOM 199 CD LYS A 132 6.615 8.442 -4.383 1.00 1.05 C ATOM 200 CE LYS A 132 8.087 8.703 -4.105 1.00 1.58 C ATOM 201 NZ LYS A 132 8.343 10.136 -3.808 1.00 2.18 N ATOM 0 H LYS A 132 7.195 5.492 -8.270 1.00 0.44 H new ATOM 0 HA LYS A 132 7.235 4.418 -5.666 1.00 0.42 H new ATOM 0 HB2 LYS A 132 7.938 6.694 -6.040 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.407 7.124 -6.777 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.264 6.787 -4.589 1.00 0.65 H new ATOM 0 HG3 LYS A 132 6.800 6.370 -3.854 1.00 0.65 H new ATOM 0 HD2 LYS A 132 6.300 9.027 -5.247 1.00 1.05 H new ATOM 0 HD3 LYS A 132 6.020 8.781 -3.535 1.00 1.05 H new ATOM 0 HE2 LYS A 132 8.412 8.093 -3.262 1.00 1.58 H new ATOM 0 HE3 LYS A 132 8.680 8.398 -4.967 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 9.357 10.277 -3.624 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 8.055 10.716 -4.622 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 7.796 10.420 -2.970 1.00 2.18 H new ATOM 215 N VAL A 133 4.935 3.455 -5.517 1.00 0.39 N ATOM 216 CA VAL A 133 3.667 3.043 -4.935 1.00 0.44 C ATOM 217 C VAL A 133 3.793 3.100 -3.421 1.00 0.44 C ATOM 218 O VAL A 133 4.708 2.518 -2.846 1.00 0.50 O ATOM 219 CB VAL A 133 3.257 1.626 -5.395 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.723 1.662 -6.820 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.433 0.667 -5.305 1.00 0.88 C ATOM 0 H VAL A 133 5.646 2.723 -5.524 1.00 0.39 H new ATOM 0 HA VAL A 133 2.884 3.721 -5.274 1.00 0.44 H new ATOM 0 HB VAL A 133 2.469 1.271 -4.731 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.439 0.656 -7.128 1.00 1.02 H new ATOM 0 HG12 VAL A 133 1.851 2.315 -6.866 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.496 2.041 -7.489 1.00 1.02 H new ATOM 0 HG21 VAL A 133 4.120 -0.324 -5.634 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.242 1.023 -5.943 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.781 0.614 -4.273 1.00 0.88 H new ATOM 231 N MET A 134 2.899 3.824 -2.780 1.00 0.54 N ATOM 232 CA MET A 134 3.091 4.186 -1.385 1.00 0.60 C ATOM 233 C MET A 134 2.534 3.145 -0.425 1.00 0.57 C ATOM 234 O MET A 134 1.374 3.221 -0.017 1.00 0.75 O ATOM 235 CB MET A 134 2.468 5.554 -1.101 1.00 0.83 C ATOM 236 CG MET A 134 3.111 6.680 -1.897 1.00 1.14 C ATOM 237 SD MET A 134 2.347 8.285 -1.597 1.00 1.65 S ATOM 238 CE MET A 134 2.709 8.518 0.143 1.00 1.78 C ATOM 0 H MET A 134 2.036 4.173 -3.197 1.00 0.54 H new ATOM 0 HA MET A 134 4.167 4.232 -1.215 1.00 0.60 H new ATOM 0 HB2 MET A 134 1.403 5.516 -1.331 1.00 0.83 H new ATOM 0 HB3 MET A 134 2.556 5.773 -0.037 1.00 0.83 H new ATOM 0 HG2 MET A 134 4.170 6.736 -1.645 1.00 1.14 H new ATOM 0 HG3 MET A 134 3.048 6.447 -2.960 1.00 1.14 H new ATOM 0 HE1 MET A 134 2.734 9.584 0.370 1.00 1.78 H new ATOM 0 HE2 MET A 134 1.936 8.037 0.743 1.00 1.78 H new ATOM 0 HE3 MET A 134 3.677 8.075 0.376 1.00 1.78 H new ATOM 248 N GLY A 135 3.365 2.170 -0.072 1.00 0.50 N ATOM 249 CA GLY A 135 3.036 1.282 1.018 1.00 0.61 C ATOM 250 C GLY A 135 3.520 1.854 2.335 1.00 0.70 C ATOM 251 O GLY A 135 4.725 2.016 2.544 1.00 0.77 O ATOM 0 H GLY A 135 4.260 1.982 -0.524 1.00 0.50 H new ATOM 0 HA2 GLY A 135 1.958 1.128 1.056 1.00 0.61 H new ATOM 0 HA3 GLY A 135 3.491 0.306 0.850 1.00 0.61 H new ATOM 255 N GLY A 136 2.587 2.207 3.207 1.00 0.85 N ATOM 256 CA GLY A 136 2.951 2.784 4.485 1.00 1.03 C ATOM 257 C GLY A 136 3.547 4.171 4.338 1.00 1.08 C ATOM 258 O GLY A 136 4.352 4.598 5.164 1.00 1.72 O ATOM 0 H GLY A 136 1.584 2.104 3.053 1.00 0.85 H new ATOM 0 HA2 GLY A 136 2.069 2.835 5.123 1.00 1.03 H new ATOM 0 HA3 GLY A 136 3.669 2.133 4.985 1.00 1.03 H new ATOM 262 N GLY A 137 3.160 4.867 3.274 1.00 0.94 N ATOM 263 CA GLY A 137 3.659 6.211 3.037 1.00 0.98 C ATOM 264 C GLY A 137 5.057 6.229 2.448 1.00 0.87 C ATOM 265 O GLY A 137 5.719 7.265 2.447 1.00 1.04 O ATOM 0 H GLY A 137 2.508 4.524 2.569 1.00 0.94 H new ATOM 0 HA2 GLY A 137 2.980 6.731 2.362 1.00 0.98 H new ATOM 0 HA3 GLY A 137 3.659 6.763 3.977 1.00 0.98 H new ATOM 269 N LYS A 138 5.511 5.089 1.951 1.00 0.71 N ATOM 270 CA LYS A 138 6.840 4.988 1.364 1.00 0.71 C ATOM 271 C LYS A 138 6.767 4.370 -0.024 1.00 0.53 C ATOM 272 O LYS A 138 5.910 3.530 -0.280 1.00 0.52 O ATOM 273 CB LYS A 138 7.747 4.149 2.271 1.00 0.92 C ATOM 274 CG LYS A 138 8.267 4.906 3.482 1.00 1.15 C ATOM 275 CD LYS A 138 8.832 3.959 4.528 1.00 1.46 C ATOM 276 CE LYS A 138 7.723 3.215 5.262 1.00 2.11 C ATOM 277 NZ LYS A 138 6.911 4.127 6.115 1.00 2.69 N ATOM 0 H LYS A 138 4.979 4.219 1.942 1.00 0.71 H new ATOM 0 HA LYS A 138 7.258 5.990 1.271 1.00 0.71 H new ATOM 0 HB2 LYS A 138 7.196 3.272 2.611 1.00 0.92 H new ATOM 0 HB3 LYS A 138 8.594 3.787 1.688 1.00 0.92 H new ATOM 0 HG2 LYS A 138 9.040 5.608 3.170 1.00 1.15 H new ATOM 0 HG3 LYS A 138 7.460 5.494 3.919 1.00 1.15 H new ATOM 0 HD2 LYS A 138 9.498 3.241 4.049 1.00 1.46 H new ATOM 0 HD3 LYS A 138 9.431 4.521 5.244 1.00 1.46 H new ATOM 0 HE2 LYS A 138 7.075 2.723 4.537 1.00 2.11 H new ATOM 0 HE3 LYS A 138 8.160 2.432 5.882 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 6.957 3.810 7.104 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 7.286 5.094 6.044 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 5.922 4.115 5.793 1.00 2.69 H new ATOM 291 N PRO A 139 7.628 4.824 -0.950 1.00 0.51 N ATOM 292 CA PRO A 139 7.742 4.241 -2.290 1.00 0.46 C ATOM 293 C PRO A 139 8.233 2.793 -2.281 1.00 0.39 C ATOM 294 O PRO A 139 9.311 2.488 -1.769 1.00 0.51 O ATOM 295 CB PRO A 139 8.778 5.129 -2.986 1.00 0.60 C ATOM 296 CG PRO A 139 9.530 5.772 -1.880 1.00 0.72 C ATOM 297 CD PRO A 139 8.528 5.980 -0.788 1.00 0.63 C ATOM 0 HA PRO A 139 6.770 4.209 -2.782 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.438 4.541 -3.624 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.298 5.872 -3.623 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.352 5.140 -1.544 1.00 0.72 H new ATOM 0 HG3 PRO A 139 9.966 6.719 -2.199 1.00 0.72 H new ATOM 0 HD2 PRO A 139 8.998 5.993 0.196 1.00 0.63 H new ATOM 0 HD3 PRO A 139 7.997 6.925 -0.900 1.00 0.63 H new ATOM 305 N TRP A 140 7.422 1.918 -2.850 1.00 0.34 N ATOM 306 CA TRP A 140 7.798 0.530 -3.083 1.00 0.33 C ATOM 307 C TRP A 140 7.921 0.308 -4.587 1.00 0.31 C ATOM 308 O TRP A 140 7.672 1.227 -5.359 1.00 0.38 O ATOM 309 CB TRP A 140 6.743 -0.409 -2.487 1.00 0.40 C ATOM 310 CG TRP A 140 6.691 -0.382 -0.990 1.00 0.44 C ATOM 311 CD1 TRP A 140 6.383 0.677 -0.194 1.00 0.54 C ATOM 312 CD2 TRP A 140 6.945 -1.478 -0.113 1.00 0.51 C ATOM 313 NE1 TRP A 140 6.449 0.311 1.127 1.00 0.61 N ATOM 314 CE2 TRP A 140 6.792 -1.010 1.203 1.00 0.58 C ATOM 315 CE3 TRP A 140 7.292 -2.805 -0.318 1.00 0.62 C ATOM 316 CZ2 TRP A 140 6.977 -1.830 2.312 1.00 0.69 C ATOM 317 CZ3 TRP A 140 7.476 -3.625 0.780 1.00 0.76 C ATOM 318 CH2 TRP A 140 7.317 -3.134 2.081 1.00 0.78 C ATOM 0 H TRP A 140 6.480 2.149 -3.165 1.00 0.34 H new ATOM 0 HA TRP A 140 8.752 0.315 -2.601 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.764 -0.138 -2.881 1.00 0.40 H new ATOM 0 HB3 TRP A 140 6.948 -1.428 -2.816 1.00 0.40 H new ATOM 0 HD1 TRP A 140 6.124 1.663 -0.550 1.00 0.54 H new ATOM 0 HE1 TRP A 140 6.271 0.924 1.922 1.00 0.61 H new ATOM 0 HE3 TRP A 140 7.416 -3.192 -1.319 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 6.857 -1.451 3.316 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 7.746 -4.660 0.631 1.00 0.76 H new ATOM 0 HH2 TRP A 140 7.466 -3.799 2.919 1.00 0.78 H new ATOM 329 N HIS A 141 8.293 -0.895 -5.007 1.00 0.34 N ATOM 330 CA HIS A 141 8.447 -1.189 -6.434 1.00 0.34 C ATOM 331 C HIS A 141 7.191 -1.866 -6.955 1.00 0.40 C ATOM 332 O HIS A 141 6.635 -2.730 -6.296 1.00 0.51 O ATOM 333 CB HIS A 141 9.648 -2.112 -6.689 1.00 0.42 C ATOM 334 CG HIS A 141 10.959 -1.575 -6.212 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.758 -2.286 -5.351 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.583 -0.414 -6.527 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.838 -1.557 -5.155 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.781 -0.407 -5.850 1.00 0.72 N ATOM 0 H HIS A 141 8.493 -1.681 -4.388 1.00 0.34 H new ATOM 0 HA HIS A 141 8.614 -0.245 -6.953 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.464 -3.069 -6.201 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.718 -2.308 -7.759 1.00 0.42 H new ATOM 0 HD2 HIS A 141 11.211 0.358 -7.184 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.662 -1.845 -4.519 1.00 0.71 H new ATOM 0 HE2 HIS A 141 13.488 0.328 -5.871 1.00 0.72 H new ATOM 346 N LYS A 142 6.759 -1.487 -8.153 1.00 0.49 N ATOM 347 CA LYS A 142 5.543 -2.049 -8.743 1.00 0.65 C ATOM 348 C LYS A 142 5.679 -3.553 -8.980 1.00 0.71 C ATOM 349 O LYS A 142 4.687 -4.249 -9.178 1.00 0.89 O ATOM 350 CB LYS A 142 5.201 -1.352 -10.064 1.00 0.85 C ATOM 351 CG LYS A 142 4.858 0.123 -9.912 1.00 1.52 C ATOM 352 CD LYS A 142 4.359 0.725 -11.218 1.00 1.88 C ATOM 353 CE LYS A 142 5.405 0.631 -12.318 1.00 2.60 C ATOM 354 NZ LYS A 142 4.935 1.245 -13.585 1.00 3.19 N ATOM 0 H LYS A 142 7.230 -0.795 -8.736 1.00 0.49 H new ATOM 0 HA LYS A 142 4.735 -1.881 -8.031 1.00 0.65 H new ATOM 0 HB2 LYS A 142 6.047 -1.450 -10.745 1.00 0.85 H new ATOM 0 HB3 LYS A 142 4.358 -1.865 -10.527 1.00 0.85 H new ATOM 0 HG2 LYS A 142 4.095 0.241 -9.142 1.00 1.52 H new ATOM 0 HG3 LYS A 142 5.739 0.668 -9.574 1.00 1.52 H new ATOM 0 HD2 LYS A 142 3.452 0.209 -11.533 1.00 1.88 H new ATOM 0 HD3 LYS A 142 4.092 1.770 -11.058 1.00 1.88 H new ATOM 0 HE2 LYS A 142 6.320 1.127 -11.992 1.00 2.60 H new ATOM 0 HE3 LYS A 142 5.654 -0.416 -12.493 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 5.677 1.160 -14.308 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 4.077 0.756 -13.910 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 4.721 2.250 -13.425 1.00 3.19 H new ATOM 368 N THR A 143 6.912 -4.041 -8.967 1.00 0.69 N ATOM 369 CA THR A 143 7.188 -5.451 -9.204 1.00 0.84 C ATOM 370 C THR A 143 7.273 -6.253 -7.900 1.00 0.84 C ATOM 371 O THR A 143 7.289 -7.486 -7.926 1.00 1.10 O ATOM 372 CB THR A 143 8.492 -5.628 -10.005 1.00 0.95 C ATOM 373 OG1 THR A 143 8.777 -7.020 -10.193 1.00 1.38 O ATOM 374 CG2 THR A 143 9.650 -4.962 -9.288 1.00 1.47 C ATOM 0 H THR A 143 7.743 -3.476 -8.793 1.00 0.69 H new ATOM 0 HA THR A 143 6.351 -5.839 -9.784 1.00 0.84 H new ATOM 0 HB THR A 143 8.361 -5.157 -10.979 1.00 0.95 H new ATOM 0 HG1 THR A 143 8.352 -7.540 -9.479 1.00 1.38 H new ATOM 0 HG21 THR A 143 10.563 -5.097 -9.868 1.00 1.47 H new ATOM 0 HG22 THR A 143 9.445 -3.897 -9.176 1.00 1.47 H new ATOM 0 HG23 THR A 143 9.776 -5.412 -8.303 1.00 1.47 H new ATOM 382 N CYS A 144 7.327 -5.569 -6.765 1.00 0.68 N ATOM 383 CA CYS A 144 7.446 -6.252 -5.479 1.00 0.76 C ATOM 384 C CYS A 144 6.277 -5.903 -4.571 1.00 0.81 C ATOM 385 O CYS A 144 5.954 -6.653 -3.651 1.00 0.96 O ATOM 386 CB CYS A 144 8.746 -5.858 -4.792 1.00 0.73 C ATOM 387 SG CYS A 144 8.823 -4.093 -4.371 1.00 1.14 S ATOM 0 H CYS A 144 7.291 -4.551 -6.705 1.00 0.68 H new ATOM 0 HA CYS A 144 7.442 -7.326 -5.668 1.00 0.76 H new ATOM 0 HB2 CYS A 144 8.863 -6.448 -3.883 1.00 0.73 H new ATOM 0 HB3 CYS A 144 9.584 -6.107 -5.443 1.00 0.73 H new ATOM 392 N PHE A 145 5.672 -4.748 -4.830 1.00 0.80 N ATOM 393 CA PHE A 145 4.519 -4.275 -4.086 1.00 0.86 C ATOM 394 C PHE A 145 3.319 -5.157 -4.385 1.00 0.79 C ATOM 395 O PHE A 145 2.432 -4.789 -5.152 1.00 0.81 O ATOM 396 CB PHE A 145 4.229 -2.825 -4.468 1.00 0.94 C ATOM 397 CG PHE A 145 3.305 -2.108 -3.533 1.00 0.97 C ATOM 398 CD1 PHE A 145 3.608 -2.004 -2.186 1.00 1.03 C ATOM 399 CD2 PHE A 145 2.123 -1.559 -3.996 1.00 1.05 C ATOM 400 CE1 PHE A 145 2.747 -1.366 -1.319 1.00 1.10 C ATOM 401 CE2 PHE A 145 1.257 -0.924 -3.134 1.00 1.13 C ATOM 402 CZ PHE A 145 1.620 -0.738 -1.812 1.00 1.13 C ATOM 0 H PHE A 145 5.974 -4.112 -5.568 1.00 0.80 H new ATOM 0 HA PHE A 145 4.726 -4.323 -3.017 1.00 0.86 H new ATOM 0 HB2 PHE A 145 5.172 -2.280 -4.516 1.00 0.94 H new ATOM 0 HB3 PHE A 145 3.799 -2.806 -5.469 1.00 0.94 H new ATOM 0 HD1 PHE A 145 4.528 -2.427 -1.811 1.00 1.03 H new ATOM 0 HD2 PHE A 145 1.876 -1.629 -5.045 1.00 1.05 H new ATOM 0 HE1 PHE A 145 2.953 -1.357 -0.259 1.00 1.10 H new ATOM 0 HE2 PHE A 145 0.299 -0.573 -3.488 1.00 1.13 H new ATOM 0 HZ PHE A 145 1.026 -0.105 -1.169 1.00 1.13 H new ATOM 412 N ARG A 146 3.327 -6.332 -3.792 1.00 0.76 N ATOM 413 CA ARG A 146 2.298 -7.323 -4.009 1.00 0.69 C ATOM 414 C ARG A 146 2.267 -8.291 -2.845 1.00 0.66 C ATOM 415 O ARG A 146 3.293 -8.540 -2.210 1.00 0.95 O ATOM 416 CB ARG A 146 2.544 -8.071 -5.325 1.00 0.77 C ATOM 417 CG ARG A 146 3.959 -8.570 -5.535 1.00 1.08 C ATOM 418 CD ARG A 146 4.052 -9.356 -6.830 1.00 1.13 C ATOM 419 NE ARG A 146 5.429 -9.593 -7.260 1.00 1.61 N ATOM 420 CZ ARG A 146 5.770 -10.480 -8.196 1.00 1.86 C ATOM 421 NH1 ARG A 146 4.849 -11.276 -8.728 1.00 1.73 N ATOM 422 NH2 ARG A 146 7.029 -10.588 -8.593 1.00 2.78 N ATOM 0 H ARG A 146 4.054 -6.627 -3.141 1.00 0.76 H new ATOM 0 HA ARG A 146 1.332 -6.823 -4.078 1.00 0.69 H new ATOM 0 HB2 ARG A 146 1.866 -8.923 -5.371 1.00 0.77 H new ATOM 0 HB3 ARG A 146 2.283 -7.411 -6.152 1.00 0.77 H new ATOM 0 HG2 ARG A 146 4.649 -7.727 -5.563 1.00 1.08 H new ATOM 0 HG3 ARG A 146 4.258 -9.199 -4.697 1.00 1.08 H new ATOM 0 HD2 ARG A 146 3.547 -10.314 -6.704 1.00 1.13 H new ATOM 0 HD3 ARG A 146 3.521 -8.817 -7.614 1.00 1.13 H new ATOM 0 HE ARG A 146 6.171 -9.049 -6.819 1.00 1.61 H new ATOM 0 HH11 ARG A 146 3.879 -11.210 -8.421 1.00 1.73 H new ATOM 0 HH12 ARG A 146 5.112 -11.953 -9.444 1.00 1.73 H new ATOM 0 HH21 ARG A 146 7.746 -9.990 -8.182 1.00 2.78 H new ATOM 0 HH22 ARG A 146 7.281 -11.269 -9.309 1.00 2.78 H new ATOM 436 N CYS A 147 1.094 -8.826 -2.550 1.00 0.42 N ATOM 437 CA CYS A 147 0.963 -9.730 -1.431 1.00 0.43 C ATOM 438 C CYS A 147 1.349 -11.135 -1.859 1.00 0.52 C ATOM 439 O CYS A 147 1.027 -11.580 -2.983 1.00 0.53 O ATOM 440 CB CYS A 147 -0.447 -9.702 -0.857 1.00 0.43 C ATOM 441 SG CYS A 147 -1.394 -11.228 -1.099 1.00 0.68 S ATOM 0 H CYS A 147 0.231 -8.650 -3.065 1.00 0.42 H new ATOM 0 HA CYS A 147 1.639 -9.403 -0.641 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.386 -9.494 0.211 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -0.993 -8.876 -1.312 1.00 0.43 H new ATOM 446 N ALA A 148 2.062 -11.806 -0.961 1.00 0.67 N ATOM 447 CA ALA A 148 2.579 -13.147 -1.186 1.00 0.82 C ATOM 448 C ALA A 148 1.488 -14.210 -1.095 1.00 0.84 C ATOM 449 O ALA A 148 1.742 -15.385 -1.364 1.00 0.98 O ATOM 450 CB ALA A 148 3.692 -13.449 -0.190 1.00 1.02 C ATOM 0 H ALA A 148 2.299 -11.427 -0.044 1.00 0.67 H new ATOM 0 HA ALA A 148 2.976 -13.179 -2.200 1.00 0.82 H new ATOM 0 HB1 ALA A 148 4.074 -14.455 -0.365 1.00 1.02 H new ATOM 0 HB2 ALA A 148 4.499 -12.727 -0.316 1.00 1.02 H new ATOM 0 HB3 ALA A 148 3.300 -13.381 0.825 1.00 1.02 H new ATOM 456 N ILE A 149 0.282 -13.821 -0.702 1.00 0.76 N ATOM 457 CA ILE A 149 -0.816 -14.775 -0.616 1.00 0.84 C ATOM 458 C ILE A 149 -1.250 -15.192 -2.010 1.00 0.85 C ATOM 459 O ILE A 149 -1.409 -16.380 -2.293 1.00 1.00 O ATOM 460 CB ILE A 149 -2.035 -14.218 0.162 1.00 0.82 C ATOM 461 CG1 ILE A 149 -1.689 -14.045 1.643 1.00 0.86 C ATOM 462 CG2 ILE A 149 -3.250 -15.129 -0.002 1.00 0.97 C ATOM 463 CD1 ILE A 149 -2.861 -13.601 2.499 1.00 1.02 C ATOM 0 H ILE A 149 0.041 -12.865 -0.441 1.00 0.76 H new ATOM 0 HA ILE A 149 -0.444 -15.637 -0.062 1.00 0.84 H new ATOM 0 HB ILE A 149 -2.287 -13.242 -0.253 1.00 0.82 H new ATOM 0 HG12 ILE A 149 -1.306 -14.990 2.030 1.00 0.86 H new ATOM 0 HG13 ILE A 149 -0.886 -13.314 1.736 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -4.092 -14.716 0.554 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -3.512 -15.200 -1.058 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -3.015 -16.122 0.381 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -2.537 -13.500 3.535 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -3.231 -12.641 2.140 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -3.658 -14.343 2.438 1.00 1.02 H new ATOM 475 N CYS A 150 -1.406 -14.219 -2.894 1.00 0.73 N ATOM 476 CA CYS A 150 -1.865 -14.500 -4.227 1.00 0.79 C ATOM 477 C CYS A 150 -0.723 -14.293 -5.215 1.00 0.75 C ATOM 478 O CYS A 150 -0.678 -14.901 -6.289 1.00 0.87 O ATOM 479 CB CYS A 150 -3.042 -13.584 -4.552 1.00 0.78 C ATOM 480 SG CYS A 150 -2.595 -11.817 -4.586 1.00 0.82 S ATOM 0 H CYS A 150 -1.220 -13.234 -2.705 1.00 0.73 H new ATOM 0 HA CYS A 150 -2.196 -15.536 -4.301 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -3.455 -13.865 -5.520 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -3.828 -13.738 -3.813 1.00 0.78 H new ATOM 485 N GLY A 151 0.223 -13.456 -4.809 1.00 0.66 N ATOM 486 CA GLY A 151 1.325 -13.089 -5.669 1.00 0.70 C ATOM 487 C GLY A 151 0.945 -11.949 -6.583 1.00 0.66 C ATOM 488 O GLY A 151 1.546 -11.764 -7.646 1.00 0.76 O ATOM 0 H GLY A 151 0.243 -13.021 -3.887 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.184 -12.802 -5.062 1.00 0.70 H new ATOM 0 HA3 GLY A 151 1.629 -13.950 -6.264 1.00 0.70 H new ATOM 492 N LYS A 152 -0.034 -11.160 -6.157 1.00 0.58 N ATOM 493 CA LYS A 152 -0.635 -10.157 -7.041 1.00 0.64 C ATOM 494 C LYS A 152 -0.306 -8.745 -6.590 1.00 0.56 C ATOM 495 O LYS A 152 -0.326 -8.441 -5.394 1.00 0.50 O ATOM 496 CB LYS A 152 -2.152 -10.332 -7.136 1.00 0.80 C ATOM 497 CG LYS A 152 -2.847 -9.261 -7.962 1.00 0.89 C ATOM 498 CD LYS A 152 -4.355 -9.321 -7.796 1.00 1.39 C ATOM 499 CE LYS A 152 -5.029 -8.141 -8.474 1.00 1.75 C ATOM 500 NZ LYS A 152 -6.501 -8.147 -8.278 1.00 2.37 N ATOM 0 H LYS A 152 -0.428 -11.190 -5.217 1.00 0.58 H new ATOM 0 HA LYS A 152 -0.204 -10.312 -8.030 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -2.368 -11.308 -7.570 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.572 -10.330 -6.130 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -2.486 -8.277 -7.662 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -2.590 -9.388 -9.014 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -4.733 -10.252 -8.219 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -4.607 -9.327 -6.736 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -4.615 -7.213 -8.080 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -4.806 -8.161 -9.541 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -6.918 -7.324 -8.758 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -6.901 -9.020 -8.677 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -6.716 -8.101 -7.262 1.00 2.37 H new ATOM 514 N SER A 153 -0.005 -7.894 -7.574 1.00 0.67 N ATOM 515 CA SER A 153 0.435 -6.529 -7.335 1.00 0.73 C ATOM 516 C SER A 153 -0.628 -5.692 -6.629 1.00 0.76 C ATOM 517 O SER A 153 -1.809 -5.705 -6.996 1.00 0.94 O ATOM 518 CB SER A 153 0.811 -5.881 -8.664 1.00 0.91 C ATOM 519 OG SER A 153 1.695 -6.713 -9.397 1.00 1.46 O ATOM 0 H SER A 153 -0.062 -8.140 -8.562 1.00 0.67 H new ATOM 0 HA SER A 153 1.302 -6.569 -6.675 1.00 0.73 H new ATOM 0 HB2 SER A 153 -0.089 -5.693 -9.250 1.00 0.91 H new ATOM 0 HB3 SER A 153 1.281 -4.914 -8.483 1.00 0.91 H new ATOM 0 HG SER A 153 1.923 -6.280 -10.246 1.00 1.46 H new ATOM 525 N LEU A 154 -0.181 -4.948 -5.629 1.00 0.71 N ATOM 526 CA LEU A 154 -1.051 -4.109 -4.826 1.00 0.76 C ATOM 527 C LEU A 154 -1.262 -2.761 -5.493 1.00 0.92 C ATOM 528 O LEU A 154 -0.338 -2.194 -6.072 1.00 1.13 O ATOM 529 CB LEU A 154 -0.435 -3.884 -3.445 1.00 0.70 C ATOM 530 CG LEU A 154 -0.182 -5.144 -2.621 1.00 0.70 C ATOM 531 CD1 LEU A 154 0.625 -4.811 -1.376 1.00 0.85 C ATOM 532 CD2 LEU A 154 -1.500 -5.791 -2.239 1.00 0.86 C ATOM 0 H LEU A 154 0.800 -4.910 -5.352 1.00 0.71 H new ATOM 0 HA LEU A 154 -2.011 -4.616 -4.727 1.00 0.76 H new ATOM 0 HB2 LEU A 154 0.511 -3.358 -3.571 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -1.092 -3.226 -2.877 1.00 0.70 H new ATOM 0 HG LEU A 154 0.391 -5.847 -3.225 1.00 0.70 H new ATOM 0 HD11 LEU A 154 0.797 -5.720 -0.800 1.00 0.85 H new ATOM 0 HD12 LEU A 154 1.583 -4.380 -1.668 1.00 0.85 H new ATOM 0 HD13 LEU A 154 0.075 -4.094 -0.767 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -1.308 -6.689 -1.652 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -2.091 -5.091 -1.649 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -2.049 -6.059 -3.142 1.00 0.86 H new ATOM 544 N GLU A 155 -2.479 -2.260 -5.423 1.00 1.24 N ATOM 545 CA GLU A 155 -2.753 -0.893 -5.825 1.00 1.53 C ATOM 546 C GLU A 155 -2.499 -0.001 -4.610 1.00 1.73 C ATOM 547 O GLU A 155 -2.639 -0.452 -3.473 1.00 2.45 O ATOM 548 CB GLU A 155 -4.202 -0.770 -6.310 1.00 1.96 C ATOM 549 CG GLU A 155 -4.399 0.221 -7.451 1.00 2.39 C ATOM 550 CD GLU A 155 -4.151 1.660 -7.049 1.00 3.01 C ATOM 551 OE1 GLU A 155 -5.086 2.310 -6.541 1.00 3.46 O ATOM 552 OE2 GLU A 155 -3.015 2.143 -7.228 1.00 3.54 O ATOM 0 H GLU A 155 -3.294 -2.777 -5.092 1.00 1.24 H new ATOM 0 HA GLU A 155 -2.109 -0.589 -6.650 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -4.549 -1.751 -6.633 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -4.830 -0.470 -5.471 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -3.728 -0.040 -8.269 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -5.416 0.128 -7.831 1.00 2.39 H new ATOM 559 N SER A 156 -2.139 1.257 -4.840 1.00 1.83 N ATOM 560 CA SER A 156 -1.679 2.139 -3.773 1.00 2.22 C ATOM 561 C SER A 156 -2.801 2.477 -2.785 1.00 1.96 C ATOM 562 O SER A 156 -2.559 3.115 -1.761 1.00 2.65 O ATOM 563 CB SER A 156 -1.088 3.421 -4.372 1.00 3.04 C ATOM 564 OG SER A 156 -0.372 4.166 -3.397 1.00 3.58 O ATOM 0 H SER A 156 -2.157 1.691 -5.763 1.00 1.83 H new ATOM 0 HA SER A 156 -0.906 1.611 -3.215 1.00 2.22 H new ATOM 0 HB2 SER A 156 -0.424 3.166 -5.198 1.00 3.04 H new ATOM 0 HB3 SER A 156 -1.889 4.034 -4.785 1.00 3.04 H new ATOM 0 HG SER A 156 -0.815 4.078 -2.527 1.00 3.58 H new ATOM 570 N THR A 157 -4.023 2.055 -3.095 1.00 1.62 N ATOM 571 CA THR A 157 -5.146 2.228 -2.179 1.00 1.69 C ATOM 572 C THR A 157 -5.643 0.866 -1.677 1.00 1.51 C ATOM 573 O THR A 157 -6.502 0.781 -0.802 1.00 2.11 O ATOM 574 CB THR A 157 -6.309 2.996 -2.853 1.00 2.15 C ATOM 575 OG1 THR A 157 -7.321 3.322 -1.894 1.00 2.66 O ATOM 576 CG2 THR A 157 -6.931 2.183 -3.977 1.00 2.67 C ATOM 0 H THR A 157 -4.261 1.592 -3.972 1.00 1.62 H new ATOM 0 HA THR A 157 -4.794 2.816 -1.331 1.00 1.69 H new ATOM 0 HB THR A 157 -5.893 3.913 -3.271 1.00 2.15 H new ATOM 0 HG1 THR A 157 -7.353 2.628 -1.203 1.00 2.66 H new ATOM 0 HG21 THR A 157 -7.744 2.750 -4.429 1.00 2.67 H new ATOM 0 HG22 THR A 157 -6.175 1.968 -4.732 1.00 2.67 H new ATOM 0 HG23 THR A 157 -7.320 1.247 -3.577 1.00 2.67 H new ATOM 584 N ASN A 158 -5.072 -0.203 -2.226 1.00 1.17 N ATOM 585 CA ASN A 158 -5.497 -1.562 -1.897 1.00 1.14 C ATOM 586 C ASN A 158 -4.418 -2.290 -1.116 1.00 0.94 C ATOM 587 O ASN A 158 -4.361 -3.520 -1.119 1.00 1.16 O ATOM 588 CB ASN A 158 -5.824 -2.355 -3.169 1.00 1.38 C ATOM 589 CG ASN A 158 -7.118 -1.922 -3.828 1.00 1.61 C ATOM 590 OD1 ASN A 158 -8.046 -1.465 -3.163 1.00 2.30 O ATOM 591 ND2 ASN A 158 -7.188 -2.063 -5.146 1.00 2.09 N ATOM 0 H ASN A 158 -4.311 -0.154 -2.903 1.00 1.17 H new ATOM 0 HA ASN A 158 -6.394 -1.486 -1.283 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -5.006 -2.241 -3.880 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -5.887 -3.415 -2.922 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -8.034 -1.788 -5.644 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -6.395 -2.447 -5.661 1.00 2.09 H new ATOM 598 N VAL A 159 -3.564 -1.528 -0.457 1.00 0.79 N ATOM 599 CA VAL A 159 -2.464 -2.098 0.302 1.00 0.72 C ATOM 600 C VAL A 159 -2.741 -2.067 1.795 1.00 0.69 C ATOM 601 O VAL A 159 -3.031 -1.016 2.370 1.00 0.83 O ATOM 602 CB VAL A 159 -1.128 -1.376 0.006 1.00 0.94 C ATOM 603 CG1 VAL A 159 -1.300 0.137 -0.007 1.00 1.27 C ATOM 604 CG2 VAL A 159 -0.061 -1.780 1.013 1.00 1.59 C ATOM 0 H VAL A 159 -3.611 -0.509 -0.432 1.00 0.79 H new ATOM 0 HA VAL A 159 -2.374 -3.137 -0.016 1.00 0.72 H new ATOM 0 HB VAL A 159 -0.804 -1.684 -0.988 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -0.341 0.610 -0.218 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -2.019 0.415 -0.778 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -1.663 0.470 0.965 1.00 1.27 H new ATOM 0 HG21 VAL A 159 0.870 -1.260 0.785 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -0.389 -1.513 2.018 1.00 1.59 H new ATOM 0 HG23 VAL A 159 0.102 -2.856 0.958 1.00 1.59 H new ATOM 614 N THR A 160 -2.655 -3.226 2.414 1.00 0.62 N ATOM 615 CA THR A 160 -2.764 -3.323 3.851 1.00 0.67 C ATOM 616 C THR A 160 -1.654 -4.203 4.400 1.00 0.70 C ATOM 617 O THR A 160 -1.516 -5.355 3.994 1.00 0.81 O ATOM 618 CB THR A 160 -4.137 -3.882 4.279 1.00 0.71 C ATOM 619 OG1 THR A 160 -4.488 -5.006 3.458 1.00 1.16 O ATOM 620 CG2 THR A 160 -5.220 -2.819 4.180 1.00 1.08 C ATOM 0 H THR A 160 -2.509 -4.117 1.940 1.00 0.62 H new ATOM 0 HA THR A 160 -2.668 -2.317 4.261 1.00 0.67 H new ATOM 0 HB THR A 160 -4.061 -4.199 5.319 1.00 0.71 H new ATOM 0 HG1 THR A 160 -3.674 -5.477 3.182 1.00 1.16 H new ATOM 0 HG21 THR A 160 -6.176 -3.243 4.488 1.00 1.08 H new ATOM 0 HG22 THR A 160 -4.968 -1.981 4.831 1.00 1.08 H new ATOM 0 HG23 THR A 160 -5.293 -2.469 3.150 1.00 1.08 H new ATOM 628 N ASP A 161 -0.845 -3.661 5.295 1.00 0.82 N ATOM 629 CA ASP A 161 0.248 -4.434 5.865 1.00 0.93 C ATOM 630 C ASP A 161 -0.203 -5.099 7.159 1.00 0.96 C ATOM 631 O ASP A 161 -1.076 -4.593 7.866 1.00 1.06 O ATOM 632 CB ASP A 161 1.488 -3.560 6.113 1.00 1.18 C ATOM 633 CG ASP A 161 1.629 -3.103 7.556 1.00 1.61 C ATOM 634 OD1 ASP A 161 1.067 -2.041 7.908 1.00 2.13 O ATOM 635 OD2 ASP A 161 2.298 -3.807 8.343 1.00 2.27 O ATOM 0 H ASP A 161 -0.921 -2.704 5.639 1.00 0.82 H new ATOM 0 HA ASP A 161 0.527 -5.204 5.146 1.00 0.93 H new ATOM 0 HB2 ASP A 161 2.379 -4.119 5.828 1.00 1.18 H new ATOM 0 HB3 ASP A 161 1.441 -2.684 5.466 1.00 1.18 H new ATOM 640 N LYS A 162 0.375 -6.248 7.442 1.00 0.98 N ATOM 641 CA LYS A 162 0.110 -6.961 8.667 1.00 1.10 C ATOM 642 C LYS A 162 1.428 -7.246 9.371 1.00 1.22 C ATOM 643 O LYS A 162 2.077 -8.266 9.120 1.00 1.27 O ATOM 644 CB LYS A 162 -0.654 -8.256 8.367 1.00 1.17 C ATOM 645 CG LYS A 162 -0.969 -9.098 9.592 1.00 1.55 C ATOM 646 CD LYS A 162 -1.872 -8.365 10.574 1.00 1.86 C ATOM 647 CE LYS A 162 -2.204 -9.237 11.776 1.00 2.36 C ATOM 648 NZ LYS A 162 -0.978 -9.750 12.440 1.00 2.95 N ATOM 0 H LYS A 162 1.042 -6.712 6.826 1.00 0.98 H new ATOM 0 HA LYS A 162 -0.513 -6.354 9.324 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -1.588 -8.004 7.864 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -0.069 -8.856 7.670 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -1.450 -10.025 9.280 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -0.040 -9.373 10.091 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -1.382 -7.451 10.909 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -2.793 -8.067 10.072 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -2.791 -8.662 12.492 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -2.823 -10.076 11.457 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 -1.129 -9.785 13.468 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 -0.767 -10.706 12.088 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -0.179 -9.119 12.229 1.00 2.95 H new ATOM 662 N ASP A 163 1.840 -6.301 10.207 1.00 1.37 N ATOM 663 CA ASP A 163 3.058 -6.423 11.003 1.00 1.58 C ATOM 664 C ASP A 163 4.295 -6.519 10.119 1.00 1.48 C ATOM 665 O ASP A 163 5.273 -7.185 10.468 1.00 1.94 O ATOM 666 CB ASP A 163 2.981 -7.634 11.938 1.00 1.83 C ATOM 667 CG ASP A 163 1.941 -7.460 13.028 1.00 2.42 C ATOM 668 OD1 ASP A 163 2.281 -6.928 14.105 1.00 2.80 O ATOM 669 OD2 ASP A 163 0.778 -7.862 12.815 1.00 2.97 O ATOM 0 H ASP A 163 1.338 -5.425 10.353 1.00 1.37 H new ATOM 0 HA ASP A 163 3.143 -5.520 11.607 1.00 1.58 H new ATOM 0 HB2 ASP A 163 2.746 -8.525 11.355 1.00 1.83 H new ATOM 0 HB3 ASP A 163 3.957 -7.799 12.394 1.00 1.83 H new ATOM 674 N GLY A 164 4.252 -5.855 8.974 1.00 1.41 N ATOM 675 CA GLY A 164 5.403 -5.830 8.095 1.00 1.46 C ATOM 676 C GLY A 164 5.177 -6.559 6.784 1.00 1.29 C ATOM 677 O GLY A 164 5.814 -6.241 5.780 1.00 1.45 O ATOM 0 H GLY A 164 3.442 -5.334 8.638 1.00 1.41 H new ATOM 0 HA2 GLY A 164 5.668 -4.794 7.885 1.00 1.46 H new ATOM 0 HA3 GLY A 164 6.253 -6.278 8.609 1.00 1.46 H new ATOM 681 N GLU A 165 4.279 -7.539 6.780 1.00 1.10 N ATOM 682 CA GLU A 165 4.011 -8.296 5.562 1.00 1.01 C ATOM 683 C GLU A 165 2.853 -7.665 4.798 1.00 0.86 C ATOM 684 O GLU A 165 1.854 -7.269 5.387 1.00 0.92 O ATOM 685 CB GLU A 165 3.719 -9.772 5.877 1.00 1.13 C ATOM 686 CG GLU A 165 3.676 -10.653 4.640 1.00 1.48 C ATOM 687 CD GLU A 165 4.935 -10.538 3.806 1.00 1.70 C ATOM 688 OE1 GLU A 165 5.063 -9.550 3.055 1.00 2.17 O ATOM 689 OE2 GLU A 165 5.811 -11.424 3.905 1.00 2.21 O ATOM 0 H GLU A 165 3.732 -7.825 7.592 1.00 1.10 H new ATOM 0 HA GLU A 165 4.902 -8.264 4.935 1.00 1.01 H new ATOM 0 HB2 GLU A 165 4.483 -10.149 6.557 1.00 1.13 H new ATOM 0 HB3 GLU A 165 2.765 -9.843 6.399 1.00 1.13 H new ATOM 0 HG2 GLU A 165 3.536 -11.691 4.941 1.00 1.48 H new ATOM 0 HG3 GLU A 165 2.814 -10.379 4.032 1.00 1.48 H new ATOM 696 N LEU A 166 2.998 -7.571 3.485 1.00 0.77 N ATOM 697 CA LEU A 166 2.025 -6.870 2.655 1.00 0.65 C ATOM 698 C LEU A 166 0.942 -7.820 2.169 1.00 0.55 C ATOM 699 O LEU A 166 1.230 -8.941 1.753 1.00 0.63 O ATOM 700 CB LEU A 166 2.703 -6.200 1.450 1.00 0.71 C ATOM 701 CG LEU A 166 3.608 -4.999 1.765 1.00 0.86 C ATOM 702 CD1 LEU A 166 2.870 -3.974 2.614 1.00 1.25 C ATOM 703 CD2 LEU A 166 4.888 -5.447 2.454 1.00 1.21 C ATOM 0 H LEU A 166 3.781 -7.972 2.969 1.00 0.77 H new ATOM 0 HA LEU A 166 1.568 -6.097 3.273 1.00 0.65 H new ATOM 0 HB2 LEU A 166 3.298 -6.951 0.930 1.00 0.71 H new ATOM 0 HB3 LEU A 166 1.927 -5.873 0.758 1.00 0.71 H new ATOM 0 HG LEU A 166 3.880 -4.527 0.821 1.00 0.86 H new ATOM 0 HD11 LEU A 166 3.530 -3.133 2.825 1.00 1.25 H new ATOM 0 HD12 LEU A 166 1.991 -3.620 2.075 1.00 1.25 H new ATOM 0 HD13 LEU A 166 2.559 -4.434 3.552 1.00 1.25 H new ATOM 0 HD21 LEU A 166 5.511 -4.578 2.666 1.00 1.21 H new ATOM 0 HD22 LEU A 166 4.641 -5.953 3.388 1.00 1.21 H new ATOM 0 HD23 LEU A 166 5.431 -6.132 1.803 1.00 1.21 H new ATOM 715 N TYR A 167 -0.300 -7.365 2.242 1.00 0.46 N ATOM 716 CA TYR A 167 -1.438 -8.142 1.778 1.00 0.38 C ATOM 717 C TYR A 167 -2.421 -7.237 1.041 1.00 0.33 C ATOM 718 O TYR A 167 -2.513 -6.041 1.338 1.00 0.45 O ATOM 719 CB TYR A 167 -2.143 -8.816 2.956 1.00 0.46 C ATOM 720 CG TYR A 167 -1.273 -9.777 3.737 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.807 -10.953 3.163 1.00 0.74 C ATOM 722 CD2 TYR A 167 -0.929 -9.513 5.056 1.00 0.79 C ATOM 723 CE1 TYR A 167 -0.022 -11.836 3.880 1.00 0.94 C ATOM 724 CE2 TYR A 167 -0.143 -10.390 5.778 1.00 0.97 C ATOM 725 CZ TYR A 167 0.306 -11.549 5.186 1.00 1.03 C ATOM 726 OH TYR A 167 1.083 -12.429 5.909 1.00 1.23 O ATOM 0 H TYR A 167 -0.546 -6.451 2.623 1.00 0.46 H new ATOM 0 HA TYR A 167 -1.076 -8.913 1.097 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.511 -8.045 3.633 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -3.014 -9.354 2.583 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -1.063 -11.181 2.139 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -1.282 -8.607 5.525 1.00 0.79 H new ATOM 0 HE1 TYR A 167 0.332 -12.746 3.418 1.00 0.94 H new ATOM 0 HE2 TYR A 167 0.118 -10.167 6.802 1.00 0.97 H new ATOM 0 HH TYR A 167 1.223 -12.076 6.812 1.00 1.23 H new ATOM 736 N CYS A 168 -3.139 -7.807 0.079 1.00 0.30 N ATOM 737 CA CYS A 168 -4.110 -7.055 -0.703 1.00 0.38 C ATOM 738 C CYS A 168 -5.362 -6.768 0.109 1.00 0.45 C ATOM 739 O CYS A 168 -5.610 -7.425 1.116 1.00 0.47 O ATOM 740 CB CYS A 168 -4.514 -7.827 -1.961 1.00 0.46 C ATOM 741 SG CYS A 168 -3.129 -8.499 -2.932 1.00 0.52 S ATOM 0 H CYS A 168 -3.065 -8.791 -0.178 1.00 0.30 H new ATOM 0 HA CYS A 168 -3.635 -6.115 -0.985 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.166 -8.650 -1.670 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.100 -7.167 -2.601 1.00 0.46 H new ATOM 746 N LYS A 169 -6.152 -5.807 -0.347 1.00 0.60 N ATOM 747 CA LYS A 169 -7.432 -5.494 0.282 1.00 0.72 C ATOM 748 C LYS A 169 -8.282 -6.759 0.414 1.00 0.69 C ATOM 749 O LYS A 169 -8.841 -7.041 1.473 1.00 0.75 O ATOM 750 CB LYS A 169 -8.179 -4.453 -0.557 1.00 0.94 C ATOM 751 CG LYS A 169 -9.460 -3.933 0.079 1.00 1.57 C ATOM 752 CD LYS A 169 -10.280 -3.133 -0.922 1.00 1.97 C ATOM 753 CE LYS A 169 -11.474 -2.452 -0.273 1.00 2.66 C ATOM 754 NZ LYS A 169 -11.066 -1.324 0.606 1.00 3.12 N ATOM 0 H LYS A 169 -5.929 -5.226 -1.155 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.246 -5.091 1.277 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -7.513 -3.611 -0.745 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -8.421 -4.891 -1.526 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -10.051 -4.770 0.452 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -9.216 -3.307 0.937 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -9.645 -2.381 -1.390 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -10.628 -3.795 -1.715 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -12.145 -2.082 -1.048 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -12.034 -3.182 0.312 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -11.910 -0.795 0.906 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -10.575 -1.697 1.444 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -10.427 -0.691 0.084 1.00 3.12 H new ATOM 768 N VAL A 170 -8.343 -7.529 -0.666 1.00 0.70 N ATOM 769 CA VAL A 170 -9.156 -8.739 -0.703 1.00 0.77 C ATOM 770 C VAL A 170 -8.519 -9.865 0.110 1.00 0.69 C ATOM 771 O VAL A 170 -9.193 -10.520 0.904 1.00 0.78 O ATOM 772 CB VAL A 170 -9.373 -9.221 -2.155 1.00 0.88 C ATOM 773 CG1 VAL A 170 -10.268 -10.454 -2.197 1.00 1.02 C ATOM 774 CG2 VAL A 170 -9.956 -8.102 -3.004 1.00 1.02 C ATOM 0 H VAL A 170 -7.837 -7.336 -1.531 1.00 0.70 H new ATOM 0 HA VAL A 170 -10.120 -8.486 -0.261 1.00 0.77 H new ATOM 0 HB VAL A 170 -8.404 -9.500 -2.568 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -10.403 -10.771 -3.231 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -9.804 -11.260 -1.629 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -11.238 -10.215 -1.761 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -10.103 -8.458 -4.024 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -10.914 -7.790 -2.587 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -9.270 -7.255 -3.010 1.00 1.02 H new ATOM 784 N CYS A 171 -7.222 -10.073 -0.078 1.00 0.58 N ATOM 785 CA CYS A 171 -6.513 -11.141 0.610 1.00 0.59 C ATOM 786 C CYS A 171 -6.488 -10.901 2.122 1.00 0.57 C ATOM 787 O CYS A 171 -6.551 -11.844 2.911 1.00 0.66 O ATOM 788 CB CYS A 171 -5.098 -11.250 0.048 1.00 0.58 C ATOM 789 SG CYS A 171 -5.063 -11.489 -1.761 1.00 0.80 S ATOM 0 H CYS A 171 -6.640 -9.515 -0.702 1.00 0.58 H new ATOM 0 HA CYS A 171 -7.037 -12.082 0.442 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.543 -10.347 0.300 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -4.586 -12.083 0.529 1.00 0.58 H new ATOM 794 N TYR A 172 -6.415 -9.637 2.517 1.00 0.51 N ATOM 795 CA TYR A 172 -6.479 -9.272 3.925 1.00 0.59 C ATOM 796 C TYR A 172 -7.872 -9.559 4.476 1.00 0.67 C ATOM 797 O TYR A 172 -8.025 -9.984 5.620 1.00 0.76 O ATOM 798 CB TYR A 172 -6.122 -7.793 4.105 1.00 0.65 C ATOM 799 CG TYR A 172 -6.089 -7.329 5.544 1.00 0.89 C ATOM 800 CD1 TYR A 172 -5.059 -7.707 6.398 1.00 1.29 C ATOM 801 CD2 TYR A 172 -7.088 -6.506 6.049 1.00 1.24 C ATOM 802 CE1 TYR A 172 -5.024 -7.275 7.712 1.00 1.57 C ATOM 803 CE2 TYR A 172 -7.059 -6.070 7.359 1.00 1.45 C ATOM 804 CZ TYR A 172 -6.026 -6.458 8.187 1.00 1.48 C ATOM 805 OH TYR A 172 -6.001 -6.025 9.495 1.00 1.78 O ATOM 0 H TYR A 172 -6.311 -8.846 1.881 1.00 0.51 H new ATOM 0 HA TYR A 172 -5.756 -9.870 4.480 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.147 -7.610 3.654 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -6.845 -7.188 3.557 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -4.273 -8.349 6.029 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -7.901 -6.202 5.406 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -4.216 -7.577 8.362 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -7.842 -5.428 7.734 1.00 1.45 H new ATOM 0 HH TYR A 172 -6.780 -5.456 9.666 1.00 1.78 H new ATOM 815 N ALA A 173 -8.881 -9.346 3.641 1.00 0.72 N ATOM 816 CA ALA A 173 -10.264 -9.606 4.019 1.00 0.87 C ATOM 817 C ALA A 173 -10.530 -11.105 4.137 1.00 0.91 C ATOM 818 O ALA A 173 -11.431 -11.531 4.856 1.00 1.05 O ATOM 819 CB ALA A 173 -11.214 -8.975 3.015 1.00 1.05 C ATOM 0 H ALA A 173 -8.766 -8.992 2.692 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.438 -9.156 4.997 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.243 -9.178 3.311 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.050 -7.898 2.986 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -11.031 -9.396 2.026 1.00 1.05 H new ATOM 825 N LYS A 174 -9.744 -11.905 3.423 1.00 0.89 N ATOM 826 CA LYS A 174 -9.852 -13.356 3.513 1.00 1.06 C ATOM 827 C LYS A 174 -9.361 -13.830 4.878 1.00 1.08 C ATOM 828 O LYS A 174 -9.718 -14.915 5.339 1.00 1.27 O ATOM 829 CB LYS A 174 -9.042 -14.041 2.404 1.00 1.17 C ATOM 830 CG LYS A 174 -9.445 -13.657 0.981 1.00 1.67 C ATOM 831 CD LYS A 174 -10.838 -14.147 0.602 1.00 2.21 C ATOM 832 CE LYS A 174 -11.933 -13.217 1.103 1.00 2.63 C ATOM 833 NZ LYS A 174 -13.277 -13.621 0.610 1.00 3.36 N ATOM 0 H LYS A 174 -9.027 -11.574 2.777 1.00 0.89 H new ATOM 0 HA LYS A 174 -10.900 -13.627 3.388 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -7.988 -13.802 2.544 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -9.142 -15.121 2.515 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -9.408 -12.572 0.879 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -8.718 -14.068 0.280 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -10.907 -14.235 -0.482 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -10.995 -15.144 1.014 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -11.933 -13.212 2.193 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -11.719 -12.198 0.779 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -13.993 -12.961 0.975 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -13.286 -13.601 -0.430 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -13.493 -14.583 0.940 1.00 3.36 H new ATOM 847 N ASN A 175 -8.530 -13.009 5.507 1.00 1.04 N ATOM 848 CA ASN A 175 -8.014 -13.306 6.836 1.00 1.24 C ATOM 849 C ASN A 175 -8.879 -12.650 7.907 1.00 1.33 C ATOM 850 O ASN A 175 -9.360 -13.313 8.825 1.00 1.56 O ATOM 851 CB ASN A 175 -6.563 -12.830 6.982 1.00 1.47 C ATOM 852 CG ASN A 175 -5.603 -13.585 6.086 1.00 1.90 C ATOM 853 OD1 ASN A 175 -5.821 -14.750 5.757 1.00 2.65 O ATOM 854 ND2 ASN A 175 -4.525 -12.925 5.688 1.00 2.25 N ATOM 0 H ASN A 175 -8.198 -12.128 5.115 1.00 1.04 H new ATOM 0 HA ASN A 175 -8.042 -14.388 6.968 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -6.509 -11.766 6.749 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -6.251 -12.945 8.020 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -3.840 -13.383 5.087 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -4.380 -11.959 5.983 1.00 2.25 H new ATOM 861 N PHE A 176 -9.082 -11.343 7.776 1.00 1.30 N ATOM 862 CA PHE A 176 -9.845 -10.580 8.755 1.00 1.58 C ATOM 863 C PHE A 176 -11.066 -9.941 8.105 1.00 2.55 C ATOM 864 O PHE A 176 -11.131 -8.720 7.941 1.00 3.04 O ATOM 865 CB PHE A 176 -8.965 -9.499 9.392 1.00 1.55 C ATOM 866 CG PHE A 176 -7.759 -10.040 10.107 1.00 2.24 C ATOM 867 CD1 PHE A 176 -7.863 -10.518 11.404 1.00 2.73 C ATOM 868 CD2 PHE A 176 -6.521 -10.076 9.480 1.00 2.85 C ATOM 869 CE1 PHE A 176 -6.756 -11.015 12.064 1.00 3.72 C ATOM 870 CE2 PHE A 176 -5.412 -10.573 10.135 1.00 3.93 C ATOM 871 CZ PHE A 176 -5.531 -11.046 11.429 1.00 4.32 C ATOM 0 H PHE A 176 -8.726 -10.789 6.997 1.00 1.30 H new ATOM 0 HA PHE A 176 -10.183 -11.265 9.533 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -8.636 -8.808 8.616 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -9.566 -8.924 10.097 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -8.820 -10.502 11.904 1.00 2.73 H new ATOM 0 HD2 PHE A 176 -6.424 -9.711 8.468 1.00 2.85 H new ATOM 0 HE1 PHE A 176 -6.849 -11.379 13.076 1.00 3.72 H new ATOM 0 HE2 PHE A 176 -4.453 -10.592 9.638 1.00 3.93 H new ATOM 0 HZ PHE A 176 -4.666 -11.439 11.942 1.00 4.32 H new TER 881 PHE A 176 HETATM 882 ZN ZN A 190 -3.042 -10.769 -2.598 1.00 0.51 ZN HETATM 883 ZN ZN A 191 11.002 -3.528 -3.904 1.00 0.75 ZN