USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 437 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 141 HIS HD1 : A 141 HIS ND1 : A 191 ZNZN :(H bumps) USER MOD Set 1.1: A 119 LYS NZ :NH3+ 172:sc=-0.00774 (180deg=-0.0874) USER MOD Set 1.2: A 126 SER OG : rot 180:sc= 0.218 USER MOD Single : A 125 LYS NZ :NH3+ -171:sc= -0.0301 (180deg=-0.157) USER MOD Single : A 128 TYR OH : rot 17:sc= 1.29 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 161:sc= -0.297 (180deg=-1.16) USER MOD Single : A 138 LYS NZ :NH3+ 173:sc= 0.965 (180deg=0.801) USER MOD Single : A 142 LYS NZ :NH3+ -151:sc= 0.645 (180deg=-0.34) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 152 LYS NZ :NH3+ 164:sc= -0.0407 (180deg=-0.271) USER MOD Single : A 153 SER OG : rot 121:sc= 1.31 USER MOD Single : A 156 SER OG : rot -16:sc= 0.89 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0.0536 USER MOD Single : A 158 ASN : amide:sc= -2.74! K(o=-2.7!,f=-0.64) USER MOD Single : A 160 THR OG1 : rot 28:sc= 1.14 USER MOD Single : A 162 LYS NZ :NH3+ -168:sc= 1.03 (180deg=0.729) USER MOD Single : A 167 TYR OH : rot 48:sc= 1.28 USER MOD Single : A 169 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0663) 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= 0.137 X(o=0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 13.911 3.894 -0.351 1.00 0.89 N ATOM 2 CA LYS A 119 14.535 2.604 -0.122 1.00 0.80 C ATOM 3 C LYS A 119 13.490 1.533 0.149 1.00 0.78 C ATOM 4 O LYS A 119 12.787 1.571 1.157 1.00 0.90 O ATOM 5 CB LYS A 119 15.522 2.680 1.049 1.00 0.93 C ATOM 6 CG LYS A 119 16.791 3.454 0.726 1.00 1.51 C ATOM 7 CD LYS A 119 17.613 2.752 -0.350 1.00 1.54 C ATOM 8 CE LYS A 119 18.865 3.536 -0.708 1.00 2.16 C ATOM 9 NZ LYS A 119 18.554 4.838 -1.355 1.00 2.76 N ATOM 0 HA LYS A 119 15.081 2.334 -1.026 1.00 0.80 H new ATOM 0 HB2 LYS A 119 15.028 3.148 1.900 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.791 1.668 1.353 1.00 0.93 H new ATOM 0 HG2 LYS A 119 16.531 4.458 0.390 1.00 1.51 H new ATOM 0 HG3 LYS A 119 17.391 3.565 1.629 1.00 1.51 H new ATOM 0 HD2 LYS A 119 17.894 1.758 -0.002 1.00 1.54 H new ATOM 0 HD3 LYS A 119 17.002 2.616 -1.242 1.00 1.54 H new ATOM 0 HE2 LYS A 119 19.450 3.713 0.195 1.00 2.16 H new ATOM 0 HE3 LYS A 119 19.485 2.940 -1.378 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 19.428 5.393 -1.456 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 18.140 4.669 -2.294 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 17.876 5.364 -0.768 1.00 2.76 H new ATOM 23 N CYS A 120 13.401 0.587 -0.767 1.00 0.70 N ATOM 24 CA CYS A 120 12.502 -0.541 -0.633 1.00 0.72 C ATOM 25 C CYS A 120 13.168 -1.666 0.151 1.00 0.76 C ATOM 26 O CYS A 120 14.240 -2.145 -0.229 1.00 0.80 O ATOM 27 CB CYS A 120 12.097 -1.047 -2.015 1.00 0.67 C ATOM 28 SG CYS A 120 11.532 -2.777 -2.027 1.00 0.74 S ATOM 0 H CYS A 120 13.951 0.580 -1.626 1.00 0.70 H new ATOM 0 HA CYS A 120 11.614 -0.215 -0.091 1.00 0.72 H new ATOM 0 HB2 CYS A 120 11.302 -0.412 -2.405 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.946 -0.947 -2.691 1.00 0.67 H new ATOM 33 N PRO A 121 12.533 -2.106 1.246 1.00 0.79 N ATOM 34 CA PRO A 121 13.033 -3.207 2.065 1.00 0.87 C ATOM 35 C PRO A 121 12.572 -4.572 1.551 1.00 0.90 C ATOM 36 O PRO A 121 12.914 -5.611 2.120 1.00 1.00 O ATOM 37 CB PRO A 121 12.410 -2.915 3.424 1.00 0.96 C ATOM 38 CG PRO A 121 11.104 -2.258 3.108 1.00 1.00 C ATOM 39 CD PRO A 121 11.278 -1.552 1.785 1.00 0.82 C ATOM 0 HA PRO A 121 14.122 -3.262 2.070 1.00 0.87 H new ATOM 0 HB2 PRO A 121 12.265 -3.830 3.998 1.00 0.96 H new ATOM 0 HB3 PRO A 121 13.048 -2.263 4.020 1.00 0.96 H new ATOM 0 HG2 PRO A 121 10.304 -2.996 3.050 1.00 1.00 H new ATOM 0 HG3 PRO A 121 10.828 -1.551 3.890 1.00 1.00 H new ATOM 0 HD2 PRO A 121 10.438 -1.744 1.117 1.00 0.82 H new ATOM 0 HD3 PRO A 121 11.342 -0.472 1.915 1.00 0.82 H new ATOM 47 N ARG A 122 11.795 -4.560 0.475 1.00 0.86 N ATOM 48 CA ARG A 122 11.259 -5.786 -0.105 1.00 0.94 C ATOM 49 C ARG A 122 12.273 -6.370 -1.080 1.00 0.90 C ATOM 50 O ARG A 122 12.395 -7.588 -1.215 1.00 1.05 O ATOM 51 CB ARG A 122 9.933 -5.494 -0.818 1.00 0.98 C ATOM 52 CG ARG A 122 9.096 -6.724 -1.141 1.00 0.97 C ATOM 53 CD ARG A 122 8.615 -7.423 0.123 1.00 1.11 C ATOM 54 NE ARG A 122 7.343 -8.124 -0.084 1.00 1.54 N ATOM 55 CZ ARG A 122 6.753 -8.894 0.835 1.00 1.95 C ATOM 56 NH1 ARG A 122 7.380 -9.183 1.971 1.00 2.03 N ATOM 57 NH2 ARG A 122 5.546 -9.401 0.612 1.00 2.82 N ATOM 0 H ARG A 122 11.520 -3.709 -0.016 1.00 0.86 H new ATOM 0 HA ARG A 122 11.070 -6.511 0.687 1.00 0.94 H new ATOM 0 HB2 ARG A 122 9.342 -4.823 -0.195 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.145 -4.963 -1.746 1.00 0.98 H new ATOM 0 HG2 ARG A 122 8.237 -6.432 -1.745 1.00 0.97 H new ATOM 0 HG3 ARG A 122 9.685 -7.419 -1.740 1.00 0.97 H new ATOM 0 HD2 ARG A 122 9.371 -8.135 0.453 1.00 1.11 H new ATOM 0 HD3 ARG A 122 8.498 -6.689 0.921 1.00 1.11 H new ATOM 0 HE ARG A 122 6.880 -8.017 -0.986 1.00 1.54 H new ATOM 0 HH11 ARG A 122 8.316 -8.816 2.144 1.00 2.03 H new ATOM 0 HH12 ARG A 122 6.925 -9.771 2.669 1.00 2.03 H new ATOM 0 HH21 ARG A 122 5.064 -9.203 -0.265 1.00 2.82 H new ATOM 0 HH22 ARG A 122 5.101 -9.988 1.318 1.00 2.82 H new ATOM 71 N CYS A 123 13.001 -5.486 -1.751 1.00 0.76 N ATOM 72 CA CYS A 123 14.047 -5.907 -2.671 1.00 0.78 C ATOM 73 C CYS A 123 15.424 -5.499 -2.158 1.00 0.76 C ATOM 74 O CYS A 123 16.426 -6.157 -2.437 1.00 0.86 O ATOM 75 CB CYS A 123 13.828 -5.284 -4.048 1.00 0.77 C ATOM 76 SG CYS A 123 12.123 -5.407 -4.661 1.00 0.88 S ATOM 0 H CYS A 123 12.886 -4.475 -1.675 1.00 0.76 H new ATOM 0 HA CYS A 123 14.001 -6.993 -2.746 1.00 0.78 H new ATOM 0 HB2 CYS A 123 14.112 -4.232 -4.008 1.00 0.77 H new ATOM 0 HB3 CYS A 123 14.494 -5.767 -4.763 1.00 0.77 H new ATOM 81 N GLY A 124 15.461 -4.406 -1.401 1.00 0.70 N ATOM 82 CA GLY A 124 16.726 -3.827 -1.002 1.00 0.73 C ATOM 83 C GLY A 124 17.239 -2.884 -2.068 1.00 0.71 C ATOM 84 O GLY A 124 18.437 -2.820 -2.334 1.00 0.85 O ATOM 0 H GLY A 124 14.636 -3.913 -1.058 1.00 0.70 H new ATOM 0 HA2 GLY A 124 16.606 -3.290 -0.061 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.455 -4.618 -0.827 1.00 0.73 H new ATOM 88 N LYS A 125 16.319 -2.147 -2.681 1.00 0.61 N ATOM 89 CA LYS A 125 16.648 -1.290 -3.816 1.00 0.61 C ATOM 90 C LYS A 125 16.024 0.088 -3.643 1.00 0.57 C ATOM 91 O LYS A 125 15.058 0.245 -2.904 1.00 0.60 O ATOM 92 CB LYS A 125 16.137 -1.899 -5.127 1.00 0.63 C ATOM 93 CG LYS A 125 16.695 -3.277 -5.447 1.00 1.30 C ATOM 94 CD LYS A 125 16.155 -3.794 -6.772 1.00 1.71 C ATOM 95 CE LYS A 125 16.615 -5.216 -7.056 1.00 2.44 C ATOM 96 NZ LYS A 125 18.097 -5.337 -7.061 1.00 2.99 N ATOM 0 H LYS A 125 15.336 -2.126 -2.410 1.00 0.61 H new ATOM 0 HA LYS A 125 17.734 -1.201 -3.856 1.00 0.61 H new ATOM 0 HB2 LYS A 125 15.050 -1.963 -5.082 1.00 0.63 H new ATOM 0 HB3 LYS A 125 16.383 -1.223 -5.946 1.00 0.63 H new ATOM 0 HG2 LYS A 125 17.783 -3.231 -5.488 1.00 1.30 H new ATOM 0 HG3 LYS A 125 16.435 -3.972 -4.649 1.00 1.30 H new ATOM 0 HD2 LYS A 125 15.066 -3.761 -6.758 1.00 1.71 H new ATOM 0 HD3 LYS A 125 16.483 -3.138 -7.578 1.00 1.71 H new ATOM 0 HE2 LYS A 125 16.200 -5.887 -6.304 1.00 2.44 H new ATOM 0 HE3 LYS A 125 16.223 -5.537 -8.021 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 18.367 -6.280 -7.406 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 18.503 -4.610 -7.685 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 18.459 -5.205 -6.095 1.00 2.99 H new ATOM 110 N SER A 126 16.570 1.075 -4.336 1.00 0.66 N ATOM 111 CA SER A 126 16.033 2.425 -4.290 1.00 0.68 C ATOM 112 C SER A 126 14.801 2.549 -5.184 1.00 0.57 C ATOM 113 O SER A 126 14.634 1.780 -6.136 1.00 0.66 O ATOM 114 CB SER A 126 17.100 3.430 -4.723 1.00 0.89 C ATOM 115 OG SER A 126 18.271 3.306 -3.932 1.00 1.37 O ATOM 0 H SER A 126 17.386 0.966 -4.938 1.00 0.66 H new ATOM 0 HA SER A 126 15.736 2.642 -3.264 1.00 0.68 H new ATOM 0 HB2 SER A 126 17.348 3.272 -5.772 1.00 0.89 H new ATOM 0 HB3 SER A 126 16.706 4.443 -4.638 1.00 0.89 H new ATOM 0 HG SER A 126 18.938 3.959 -4.231 1.00 1.37 H new ATOM 121 N VAL A 127 13.933 3.500 -4.864 1.00 0.52 N ATOM 122 CA VAL A 127 12.729 3.744 -5.652 1.00 0.45 C ATOM 123 C VAL A 127 12.802 5.118 -6.308 1.00 0.58 C ATOM 124 O VAL A 127 13.322 6.061 -5.719 1.00 0.80 O ATOM 125 CB VAL A 127 11.449 3.690 -4.783 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.202 3.811 -5.643 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.389 2.417 -3.961 1.00 0.71 C ATOM 0 H VAL A 127 14.040 4.119 -4.060 1.00 0.52 H new ATOM 0 HA VAL A 127 12.677 2.958 -6.406 1.00 0.45 H new ATOM 0 HB VAL A 127 11.488 4.538 -4.099 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.317 3.770 -5.008 1.00 0.63 H new ATOM 0 HG12 VAL A 127 10.221 4.760 -6.179 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.173 2.990 -6.359 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.478 2.413 -3.363 1.00 0.71 H new ATOM 0 HG22 VAL A 127 11.391 1.554 -4.627 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.256 2.368 -3.302 1.00 0.71 H new ATOM 137 N TYR A 128 12.293 5.221 -7.527 1.00 0.60 N ATOM 138 CA TYR A 128 12.220 6.501 -8.219 1.00 0.78 C ATOM 139 C TYR A 128 10.814 7.096 -8.120 1.00 0.58 C ATOM 140 O TYR A 128 9.901 6.450 -7.600 1.00 0.48 O ATOM 141 CB TYR A 128 12.643 6.361 -9.687 1.00 1.14 C ATOM 142 CG TYR A 128 12.140 5.106 -10.374 1.00 2.06 C ATOM 143 CD1 TYR A 128 10.824 4.696 -10.214 1.00 2.76 C ATOM 144 CD2 TYR A 128 12.972 4.334 -11.174 1.00 2.80 C ATOM 145 CE1 TYR A 128 10.350 3.556 -10.834 1.00 3.69 C ATOM 146 CE2 TYR A 128 12.508 3.197 -11.800 1.00 3.75 C ATOM 147 CZ TYR A 128 11.242 2.795 -11.635 1.00 4.06 C ATOM 148 OH TYR A 128 10.717 1.676 -12.249 1.00 5.08 O ATOM 0 H TYR A 128 11.924 4.433 -8.059 1.00 0.60 H new ATOM 0 HA TYR A 128 12.916 7.182 -7.730 1.00 0.78 H new ATOM 0 HB2 TYR A 128 12.284 7.230 -10.239 1.00 1.14 H new ATOM 0 HB3 TYR A 128 13.732 6.377 -9.740 1.00 1.14 H new ATOM 0 HD1 TYR A 128 10.159 5.278 -9.594 1.00 2.76 H new ATOM 0 HD2 TYR A 128 14.002 4.630 -11.308 1.00 2.80 H new ATOM 0 HE1 TYR A 128 9.322 3.250 -10.712 1.00 3.69 H new ATOM 0 HE2 TYR A 128 13.173 2.625 -12.430 1.00 3.75 H new ATOM 0 HH TYR A 128 9.739 1.731 -12.248 1.00 5.08 H new ATOM 158 N ALA A 129 10.633 8.303 -8.628 1.00 0.69 N ATOM 159 CA ALA A 129 9.356 9.002 -8.516 1.00 0.74 C ATOM 160 C ALA A 129 8.262 8.338 -9.348 1.00 0.75 C ATOM 161 O ALA A 129 7.105 8.263 -8.918 1.00 0.87 O ATOM 162 CB ALA A 129 9.520 10.456 -8.929 1.00 0.95 C ATOM 0 H ALA A 129 11.355 8.825 -9.125 1.00 0.69 H new ATOM 0 HA ALA A 129 9.046 8.952 -7.472 1.00 0.74 H new ATOM 0 HB1 ALA A 129 8.562 10.969 -8.842 1.00 0.95 H new ATOM 0 HB2 ALA A 129 10.250 10.939 -8.280 1.00 0.95 H new ATOM 0 HB3 ALA A 129 9.865 10.504 -9.962 1.00 0.95 H new ATOM 168 N ALA A 130 8.636 7.843 -10.523 1.00 0.80 N ATOM 169 CA ALA A 130 7.679 7.311 -11.496 1.00 1.00 C ATOM 170 C ALA A 130 6.783 6.218 -10.914 1.00 0.91 C ATOM 171 O ALA A 130 5.571 6.226 -11.129 1.00 1.16 O ATOM 172 CB ALA A 130 8.415 6.787 -12.718 1.00 1.21 C ATOM 0 H ALA A 130 9.608 7.798 -10.830 1.00 0.80 H new ATOM 0 HA ALA A 130 7.026 8.136 -11.781 1.00 1.00 H new ATOM 0 HB1 ALA A 130 7.695 6.394 -13.435 1.00 1.21 H new ATOM 0 HB2 ALA A 130 8.980 7.598 -13.178 1.00 1.21 H new ATOM 0 HB3 ALA A 130 9.099 5.993 -12.418 1.00 1.21 H new ATOM 178 N GLU A 131 7.370 5.284 -10.177 1.00 0.68 N ATOM 179 CA GLU A 131 6.611 4.161 -9.637 1.00 0.65 C ATOM 180 C GLU A 131 6.669 4.141 -8.120 1.00 0.46 C ATOM 181 O GLU A 131 6.649 3.083 -7.499 1.00 0.50 O ATOM 182 CB GLU A 131 7.116 2.843 -10.220 1.00 0.87 C ATOM 183 CG GLU A 131 6.711 2.653 -11.670 1.00 1.41 C ATOM 184 CD GLU A 131 7.203 1.350 -12.254 1.00 1.70 C ATOM 185 OE1 GLU A 131 6.490 0.332 -12.129 1.00 2.44 O ATOM 186 OE2 GLU A 131 8.289 1.341 -12.871 1.00 1.99 O ATOM 0 H GLU A 131 8.362 5.280 -9.940 1.00 0.68 H new ATOM 0 HA GLU A 131 5.568 4.286 -9.927 1.00 0.65 H new ATOM 0 HB2 GLU A 131 8.203 2.809 -10.143 1.00 0.87 H new ATOM 0 HB3 GLU A 131 6.728 2.015 -9.627 1.00 0.87 H new ATOM 0 HG2 GLU A 131 5.624 2.692 -11.746 1.00 1.41 H new ATOM 0 HG3 GLU A 131 7.102 3.481 -12.262 1.00 1.41 H new ATOM 193 N LYS A 132 6.756 5.326 -7.544 1.00 0.44 N ATOM 194 CA LYS A 132 6.727 5.503 -6.103 1.00 0.42 C ATOM 195 C LYS A 132 5.343 5.174 -5.537 1.00 0.44 C ATOM 196 O LYS A 132 4.461 6.037 -5.459 1.00 0.58 O ATOM 197 CB LYS A 132 7.124 6.949 -5.774 1.00 0.55 C ATOM 198 CG LYS A 132 6.965 7.350 -4.315 1.00 0.65 C ATOM 199 CD LYS A 132 7.381 8.798 -4.094 1.00 1.05 C ATOM 200 CE LYS A 132 8.829 9.034 -4.506 1.00 1.58 C ATOM 201 NZ LYS A 132 9.237 10.454 -4.336 1.00 2.18 N ATOM 0 H LYS A 132 6.849 6.198 -8.065 1.00 0.44 H new ATOM 0 HA LYS A 132 7.436 4.817 -5.640 1.00 0.42 H new ATOM 0 HB2 LYS A 132 8.164 7.098 -6.063 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.523 7.622 -6.386 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.927 7.216 -4.009 1.00 0.65 H new ATOM 0 HG3 LYS A 132 7.569 6.695 -3.687 1.00 0.65 H new ATOM 0 HD2 LYS A 132 6.727 9.456 -4.666 1.00 1.05 H new ATOM 0 HD3 LYS A 132 7.254 9.057 -3.043 1.00 1.05 H new ATOM 0 HE2 LYS A 132 9.483 8.396 -3.911 1.00 1.58 H new ATOM 0 HE3 LYS A 132 8.961 8.742 -5.548 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 10.229 10.568 -4.628 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 8.631 11.062 -4.923 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 9.137 10.727 -3.337 1.00 2.18 H new ATOM 215 N VAL A 133 5.152 3.915 -5.170 1.00 0.39 N ATOM 216 CA VAL A 133 3.952 3.481 -4.498 1.00 0.44 C ATOM 217 C VAL A 133 4.103 3.726 -3.004 1.00 0.44 C ATOM 218 O VAL A 133 5.077 3.300 -2.400 1.00 0.50 O ATOM 219 CB VAL A 133 3.706 1.986 -4.759 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.411 1.556 -4.120 1.00 1.02 C ATOM 221 CG2 VAL A 133 3.693 1.691 -6.252 1.00 0.88 C ATOM 0 H VAL A 133 5.830 3.171 -5.333 1.00 0.39 H new ATOM 0 HA VAL A 133 3.101 4.044 -4.880 1.00 0.44 H new ATOM 0 HB VAL A 133 4.522 1.418 -4.313 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.246 0.496 -4.311 1.00 1.02 H new ATOM 0 HG12 VAL A 133 2.461 1.728 -3.045 1.00 1.02 H new ATOM 0 HG13 VAL A 133 1.588 2.133 -4.542 1.00 1.02 H new ATOM 0 HG21 VAL A 133 3.517 0.627 -6.411 1.00 0.88 H new ATOM 0 HG22 VAL A 133 2.899 2.265 -6.729 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.653 1.969 -6.686 1.00 0.88 H new ATOM 231 N MET A 134 3.156 4.429 -2.412 1.00 0.54 N ATOM 232 CA MET A 134 3.268 4.810 -1.011 1.00 0.60 C ATOM 233 C MET A 134 2.991 3.631 -0.082 1.00 0.57 C ATOM 234 O MET A 134 1.869 3.456 0.389 1.00 0.75 O ATOM 235 CB MET A 134 2.309 5.956 -0.686 1.00 0.83 C ATOM 236 CG MET A 134 2.654 7.265 -1.378 1.00 1.14 C ATOM 237 SD MET A 134 1.527 8.599 -0.924 1.00 1.65 S ATOM 238 CE MET A 134 1.719 8.602 0.859 1.00 1.78 C ATOM 0 H MET A 134 2.304 4.748 -2.874 1.00 0.54 H new ATOM 0 HA MET A 134 4.294 5.140 -0.848 1.00 0.60 H new ATOM 0 HB2 MET A 134 1.298 5.662 -0.970 1.00 0.83 H new ATOM 0 HB3 MET A 134 2.303 6.117 0.392 1.00 0.83 H new ATOM 0 HG2 MET A 134 3.674 7.551 -1.121 1.00 1.14 H new ATOM 0 HG3 MET A 134 2.626 7.121 -2.458 1.00 1.14 H new ATOM 0 HE1 MET A 134 1.371 9.554 1.261 1.00 1.78 H new ATOM 0 HE2 MET A 134 1.133 7.790 1.289 1.00 1.78 H new ATOM 0 HE3 MET A 134 2.770 8.464 1.112 1.00 1.78 H new ATOM 248 N GLY A 135 4.012 2.823 0.173 1.00 0.50 N ATOM 249 CA GLY A 135 3.893 1.766 1.153 1.00 0.61 C ATOM 250 C GLY A 135 4.238 2.250 2.546 1.00 0.70 C ATOM 251 O GLY A 135 5.396 2.574 2.831 1.00 0.77 O ATOM 0 H GLY A 135 4.922 2.883 -0.284 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.875 1.376 1.145 1.00 0.61 H new ATOM 0 HA3 GLY A 135 4.552 0.942 0.881 1.00 0.61 H new ATOM 255 N GLY A 136 3.232 2.333 3.407 1.00 0.85 N ATOM 256 CA GLY A 136 3.439 2.816 4.759 1.00 1.03 C ATOM 257 C GLY A 136 3.617 4.318 4.802 1.00 1.08 C ATOM 258 O GLY A 136 2.690 5.053 5.144 1.00 1.72 O ATOM 0 H GLY A 136 2.270 2.072 3.191 1.00 0.85 H new ATOM 0 HA2 GLY A 136 2.588 2.534 5.379 1.00 1.03 H new ATOM 0 HA3 GLY A 136 4.319 2.334 5.186 1.00 1.03 H new ATOM 262 N GLY A 137 4.806 4.771 4.442 1.00 0.94 N ATOM 263 CA GLY A 137 5.089 6.191 4.418 1.00 0.98 C ATOM 264 C GLY A 137 6.278 6.515 3.541 1.00 0.87 C ATOM 265 O GLY A 137 6.903 7.567 3.691 1.00 1.04 O ATOM 0 H GLY A 137 5.587 4.176 4.164 1.00 0.94 H new ATOM 0 HA2 GLY A 137 4.213 6.729 4.056 1.00 0.98 H new ATOM 0 HA3 GLY A 137 5.281 6.540 5.433 1.00 0.98 H new ATOM 269 N LYS A 138 6.608 5.605 2.633 1.00 0.71 N ATOM 270 CA LYS A 138 7.733 5.801 1.729 1.00 0.71 C ATOM 271 C LYS A 138 7.494 5.082 0.406 1.00 0.53 C ATOM 272 O LYS A 138 6.634 4.205 0.321 1.00 0.52 O ATOM 273 CB LYS A 138 9.035 5.300 2.366 1.00 0.92 C ATOM 274 CG LYS A 138 9.027 3.821 2.708 1.00 1.15 C ATOM 275 CD LYS A 138 10.415 3.342 3.085 1.00 1.46 C ATOM 276 CE LYS A 138 10.411 1.878 3.480 1.00 2.11 C ATOM 277 NZ LYS A 138 11.786 1.349 3.663 1.00 2.69 N ATOM 0 H LYS A 138 6.112 4.723 2.503 1.00 0.71 H new ATOM 0 HA LYS A 138 7.825 6.870 1.536 1.00 0.71 H new ATOM 0 HB2 LYS A 138 9.861 5.500 1.684 1.00 0.92 H new ATOM 0 HB3 LYS A 138 9.226 5.871 3.274 1.00 0.92 H new ATOM 0 HG2 LYS A 138 8.339 3.639 3.534 1.00 1.15 H new ATOM 0 HG3 LYS A 138 8.660 3.249 1.856 1.00 1.15 H new ATOM 0 HD2 LYS A 138 11.093 3.491 2.245 1.00 1.46 H new ATOM 0 HD3 LYS A 138 10.796 3.942 3.912 1.00 1.46 H new ATOM 0 HE2 LYS A 138 9.848 1.753 4.405 1.00 2.11 H new ATOM 0 HE3 LYS A 138 9.898 1.297 2.714 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 11.738 0.383 4.046 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 12.277 1.334 2.746 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 12.307 1.959 4.325 1.00 2.69 H new ATOM 291 N PRO A 139 8.219 5.480 -0.653 1.00 0.51 N ATOM 292 CA PRO A 139 8.182 4.811 -1.957 1.00 0.46 C ATOM 293 C PRO A 139 8.508 3.316 -1.904 1.00 0.39 C ATOM 294 O PRO A 139 9.470 2.889 -1.265 1.00 0.51 O ATOM 295 CB PRO A 139 9.259 5.540 -2.773 1.00 0.60 C ATOM 296 CG PRO A 139 10.056 6.306 -1.780 1.00 0.72 C ATOM 297 CD PRO A 139 9.095 6.661 -0.692 1.00 0.63 C ATOM 0 HA PRO A 139 7.177 4.859 -2.377 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.885 4.833 -3.318 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.810 6.203 -3.512 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.883 5.709 -1.395 1.00 0.72 H new ATOM 0 HG3 PRO A 139 10.490 7.200 -2.229 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.600 6.825 0.260 1.00 0.63 H new ATOM 0 HD3 PRO A 139 8.541 7.572 -0.919 1.00 0.63 H new ATOM 305 N TRP A 140 7.679 2.549 -2.590 1.00 0.34 N ATOM 306 CA TRP A 140 7.882 1.124 -2.798 1.00 0.33 C ATOM 307 C TRP A 140 7.808 0.830 -4.294 1.00 0.31 C ATOM 308 O TRP A 140 7.516 1.724 -5.086 1.00 0.38 O ATOM 309 CB TRP A 140 6.803 0.328 -2.062 1.00 0.40 C ATOM 310 CG TRP A 140 7.054 0.159 -0.592 1.00 0.44 C ATOM 311 CD1 TRP A 140 7.130 1.132 0.362 1.00 0.54 C ATOM 312 CD2 TRP A 140 7.246 -1.079 0.088 1.00 0.51 C ATOM 313 NE1 TRP A 140 7.364 0.567 1.595 1.00 0.61 N ATOM 314 CE2 TRP A 140 7.436 -0.791 1.449 1.00 0.58 C ATOM 315 CE3 TRP A 140 7.274 -2.405 -0.331 1.00 0.62 C ATOM 316 CZ2 TRP A 140 7.654 -1.789 2.396 1.00 0.69 C ATOM 317 CZ3 TRP A 140 7.485 -3.396 0.604 1.00 0.76 C ATOM 318 CH2 TRP A 140 7.675 -3.085 1.955 1.00 0.78 C ATOM 0 H TRP A 140 6.829 2.905 -3.027 1.00 0.34 H new ATOM 0 HA TRP A 140 8.858 0.833 -2.409 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.843 0.826 -2.200 1.00 0.40 H new ATOM 0 HB3 TRP A 140 6.719 -0.658 -2.520 1.00 0.40 H new ATOM 0 HD1 TRP A 140 7.022 2.190 0.177 1.00 0.54 H new ATOM 0 HE1 TRP A 140 7.467 1.077 2.473 1.00 0.61 H new ATOM 0 HE3 TRP A 140 7.133 -2.654 -1.372 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 7.801 -1.549 3.439 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 7.504 -4.429 0.289 1.00 0.76 H new ATOM 0 HH2 TRP A 140 7.841 -3.883 2.664 1.00 0.78 H new ATOM 329 N HIS A 141 8.062 -0.413 -4.683 1.00 0.34 N ATOM 330 CA HIS A 141 8.017 -0.784 -6.095 1.00 0.34 C ATOM 331 C HIS A 141 6.701 -1.474 -6.411 1.00 0.40 C ATOM 332 O HIS A 141 6.249 -2.338 -5.665 1.00 0.51 O ATOM 333 CB HIS A 141 9.170 -1.723 -6.474 1.00 0.42 C ATOM 334 CG HIS A 141 10.538 -1.195 -6.166 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.487 -1.980 -5.559 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.073 0.025 -6.420 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.572 -1.238 -5.450 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.372 -0.010 -5.962 1.00 0.72 N ATOM 0 H HIS A 141 8.299 -1.176 -4.049 1.00 0.34 H new ATOM 0 HA HIS A 141 8.112 0.135 -6.674 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.035 -2.670 -5.951 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.110 -1.937 -7.541 1.00 0.42 H new ATOM 0 HD2 HIS A 141 10.577 0.861 -6.890 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.499 -1.572 -5.008 1.00 0.71 H new ATOM 0 HE2 HIS A 141 13.052 0.749 -6.003 1.00 0.72 H new ATOM 346 N LYS A 142 6.105 -1.101 -7.538 1.00 0.49 N ATOM 347 CA LYS A 142 4.839 -1.678 -7.982 1.00 0.65 C ATOM 348 C LYS A 142 4.965 -3.190 -8.210 1.00 0.71 C ATOM 349 O LYS A 142 3.970 -3.908 -8.236 1.00 0.89 O ATOM 350 CB LYS A 142 4.390 -0.990 -9.277 1.00 0.85 C ATOM 351 CG LYS A 142 3.081 -1.520 -9.844 1.00 1.52 C ATOM 352 CD LYS A 142 2.850 -1.012 -11.256 1.00 1.88 C ATOM 353 CE LYS A 142 1.625 -1.652 -11.891 1.00 2.60 C ATOM 354 NZ LYS A 142 1.672 -3.137 -11.820 1.00 3.19 N ATOM 0 H LYS A 142 6.483 -0.393 -8.168 1.00 0.49 H new ATOM 0 HA LYS A 142 4.095 -1.517 -7.201 1.00 0.65 H new ATOM 0 HB2 LYS A 142 4.286 0.079 -9.090 1.00 0.85 H new ATOM 0 HB3 LYS A 142 5.172 -1.107 -10.027 1.00 0.85 H new ATOM 0 HG2 LYS A 142 3.096 -2.610 -9.845 1.00 1.52 H new ATOM 0 HG3 LYS A 142 2.254 -1.213 -9.204 1.00 1.52 H new ATOM 0 HD2 LYS A 142 2.726 0.071 -11.237 1.00 1.88 H new ATOM 0 HD3 LYS A 142 3.728 -1.222 -11.867 1.00 1.88 H new ATOM 0 HE2 LYS A 142 0.727 -1.293 -11.388 1.00 2.60 H new ATOM 0 HE3 LYS A 142 1.553 -1.341 -12.933 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 1.151 -3.540 -12.625 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 2.662 -3.455 -11.854 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 1.236 -3.456 -10.931 1.00 3.19 H new ATOM 368 N THR A 143 6.192 -3.659 -8.370 1.00 0.69 N ATOM 369 CA THR A 143 6.448 -5.064 -8.655 1.00 0.84 C ATOM 370 C THR A 143 6.530 -5.904 -7.380 1.00 0.84 C ATOM 371 O THR A 143 6.185 -7.087 -7.385 1.00 1.10 O ATOM 372 CB THR A 143 7.758 -5.220 -9.444 1.00 0.95 C ATOM 373 OG1 THR A 143 8.789 -4.427 -8.841 1.00 1.38 O ATOM 374 CG2 THR A 143 7.577 -4.804 -10.894 1.00 1.47 C ATOM 0 H THR A 143 7.032 -3.084 -8.307 1.00 0.69 H new ATOM 0 HA THR A 143 5.608 -5.425 -9.249 1.00 0.84 H new ATOM 0 HB THR A 143 8.044 -6.272 -9.421 1.00 0.95 H new ATOM 0 HG1 THR A 143 9.621 -4.532 -9.348 1.00 1.38 H new ATOM 0 HG21 THR A 143 8.520 -4.925 -11.428 1.00 1.47 H new ATOM 0 HG22 THR A 143 6.814 -5.428 -11.359 1.00 1.47 H new ATOM 0 HG23 THR A 143 7.267 -3.760 -10.937 1.00 1.47 H new ATOM 382 N CYS A 144 6.988 -5.299 -6.293 1.00 0.68 N ATOM 383 CA CYS A 144 7.244 -6.037 -5.064 1.00 0.76 C ATOM 384 C CYS A 144 6.232 -5.702 -3.989 1.00 0.81 C ATOM 385 O CYS A 144 6.118 -6.417 -2.987 1.00 0.96 O ATOM 386 CB CYS A 144 8.611 -5.679 -4.553 1.00 0.73 C ATOM 387 SG CYS A 144 8.772 -3.903 -4.238 1.00 1.14 S ATOM 0 H CYS A 144 7.190 -4.301 -6.237 1.00 0.68 H new ATOM 0 HA CYS A 144 7.172 -7.101 -5.291 1.00 0.76 H new ATOM 0 HB2 CYS A 144 8.811 -6.230 -3.634 1.00 0.73 H new ATOM 0 HB3 CYS A 144 9.362 -5.988 -5.280 1.00 0.73 H new ATOM 392 N PHE A 145 5.542 -4.585 -4.175 1.00 0.80 N ATOM 393 CA PHE A 145 4.484 -4.176 -3.272 1.00 0.86 C ATOM 394 C PHE A 145 3.301 -5.104 -3.476 1.00 0.79 C ATOM 395 O PHE A 145 2.243 -4.708 -3.944 1.00 0.81 O ATOM 396 CB PHE A 145 4.096 -2.721 -3.541 1.00 0.94 C ATOM 397 CG PHE A 145 3.367 -2.067 -2.407 1.00 0.97 C ATOM 398 CD1 PHE A 145 3.934 -2.018 -1.148 1.00 1.03 C ATOM 399 CD2 PHE A 145 2.123 -1.502 -2.601 1.00 1.05 C ATOM 400 CE1 PHE A 145 3.272 -1.416 -0.100 1.00 1.10 C ATOM 401 CE2 PHE A 145 1.457 -0.896 -1.560 1.00 1.13 C ATOM 402 CZ PHE A 145 2.031 -0.853 -0.306 1.00 1.13 C ATOM 0 H PHE A 145 5.701 -3.943 -4.952 1.00 0.80 H new ATOM 0 HA PHE A 145 4.821 -4.240 -2.237 1.00 0.86 H new ATOM 0 HB2 PHE A 145 4.998 -2.149 -3.758 1.00 0.94 H new ATOM 0 HB3 PHE A 145 3.471 -2.681 -4.433 1.00 0.94 H new ATOM 0 HD1 PHE A 145 4.907 -2.457 -0.983 1.00 1.03 H new ATOM 0 HD2 PHE A 145 1.667 -1.536 -3.580 1.00 1.05 H new ATOM 0 HE1 PHE A 145 3.724 -1.385 0.880 1.00 1.10 H new ATOM 0 HE2 PHE A 145 0.485 -0.454 -1.725 1.00 1.13 H new ATOM 0 HZ PHE A 145 1.509 -0.379 0.512 1.00 1.13 H new ATOM 412 N ARG A 146 3.523 -6.354 -3.141 1.00 0.76 N ATOM 413 CA ARG A 146 2.605 -7.424 -3.432 1.00 0.69 C ATOM 414 C ARG A 146 2.461 -8.308 -2.220 1.00 0.66 C ATOM 415 O ARG A 146 3.427 -8.519 -1.476 1.00 0.95 O ATOM 416 CB ARG A 146 3.125 -8.256 -4.613 1.00 0.77 C ATOM 417 CG ARG A 146 4.560 -8.726 -4.440 1.00 1.08 C ATOM 418 CD ARG A 146 5.012 -9.616 -5.583 1.00 1.13 C ATOM 419 NE ARG A 146 4.652 -11.020 -5.374 1.00 1.61 N ATOM 420 CZ ARG A 146 5.164 -12.032 -6.083 1.00 1.86 C ATOM 421 NH1 ARG A 146 6.033 -11.793 -7.056 1.00 1.73 N ATOM 422 NH2 ARG A 146 4.821 -13.282 -5.808 1.00 2.78 N ATOM 0 H ARG A 146 4.363 -6.658 -2.649 1.00 0.76 H new ATOM 0 HA ARG A 146 1.635 -7.000 -3.693 1.00 0.69 H new ATOM 0 HB2 ARG A 146 2.480 -9.125 -4.747 1.00 0.77 H new ATOM 0 HB3 ARG A 146 3.053 -7.663 -5.524 1.00 0.77 H new ATOM 0 HG2 ARG A 146 5.219 -7.860 -4.373 1.00 1.08 H new ATOM 0 HG3 ARG A 146 4.652 -9.270 -3.500 1.00 1.08 H new ATOM 0 HD2 ARG A 146 4.565 -9.264 -6.513 1.00 1.13 H new ATOM 0 HD3 ARG A 146 6.093 -9.534 -5.698 1.00 1.13 H new ATOM 0 HE ARG A 146 3.972 -11.239 -4.646 1.00 1.61 H new ATOM 0 HH11 ARG A 146 6.313 -10.835 -7.266 1.00 1.73 H new ATOM 0 HH12 ARG A 146 6.421 -12.567 -7.595 1.00 1.73 H new ATOM 0 HH21 ARG A 146 4.164 -13.476 -5.053 1.00 2.78 H new ATOM 0 HH22 ARG A 146 5.214 -14.050 -6.352 1.00 2.78 H new ATOM 436 N CYS A 147 1.271 -8.824 -2.008 1.00 0.42 N ATOM 437 CA CYS A 147 1.079 -9.760 -0.940 1.00 0.43 C ATOM 438 C CYS A 147 1.488 -11.139 -1.418 1.00 0.52 C ATOM 439 O CYS A 147 1.185 -11.551 -2.561 1.00 0.53 O ATOM 440 CB CYS A 147 -0.357 -9.738 -0.428 1.00 0.43 C ATOM 441 SG CYS A 147 -1.278 -11.275 -0.683 1.00 0.68 S ATOM 0 H CYS A 147 0.437 -8.611 -2.556 1.00 0.42 H new ATOM 0 HA CYS A 147 1.706 -9.478 -0.095 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.344 -9.511 0.638 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -0.891 -8.925 -0.920 1.00 0.43 H new ATOM 446 N ALA A 148 2.224 -11.812 -0.552 1.00 0.67 N ATOM 447 CA ALA A 148 2.785 -13.118 -0.846 1.00 0.82 C ATOM 448 C ALA A 148 1.726 -14.212 -0.815 1.00 0.84 C ATOM 449 O ALA A 148 2.002 -15.349 -1.187 1.00 0.98 O ATOM 450 CB ALA A 148 3.904 -13.437 0.130 1.00 1.02 C ATOM 0 H ALA A 148 2.451 -11.466 0.380 1.00 0.67 H new ATOM 0 HA ALA A 148 3.188 -13.085 -1.858 1.00 0.82 H new ATOM 0 HB1 ALA A 148 4.318 -14.419 -0.099 1.00 1.02 H new ATOM 0 HB2 ALA A 148 4.687 -12.684 0.044 1.00 1.02 H new ATOM 0 HB3 ALA A 148 3.511 -13.437 1.147 1.00 1.02 H new ATOM 456 N ILE A 149 0.519 -13.874 -0.379 1.00 0.76 N ATOM 457 CA ILE A 149 -0.547 -14.858 -0.273 1.00 0.84 C ATOM 458 C ILE A 149 -1.029 -15.271 -1.657 1.00 0.85 C ATOM 459 O ILE A 149 -1.286 -16.452 -1.910 1.00 1.00 O ATOM 460 CB ILE A 149 -1.737 -14.330 0.559 1.00 0.82 C ATOM 461 CG1 ILE A 149 -1.280 -13.984 1.979 1.00 0.86 C ATOM 462 CG2 ILE A 149 -2.861 -15.357 0.601 1.00 0.97 C ATOM 463 CD1 ILE A 149 -2.386 -13.440 2.855 1.00 1.02 C ATOM 0 H ILE A 149 0.256 -12.930 -0.095 1.00 0.76 H new ATOM 0 HA ILE A 149 -0.136 -15.726 0.242 1.00 0.84 H new ATOM 0 HB ILE A 149 -2.115 -13.426 0.082 1.00 0.82 H new ATOM 0 HG12 ILE A 149 -0.864 -14.877 2.446 1.00 0.86 H new ATOM 0 HG13 ILE A 149 -0.477 -13.249 1.924 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -3.689 -14.966 1.192 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -3.204 -15.563 -0.413 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -2.495 -16.278 1.054 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -1.989 -13.217 3.846 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -2.787 -12.529 2.411 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -3.180 -14.181 2.941 1.00 1.02 H new ATOM 475 N CYS A 150 -1.120 -14.309 -2.564 1.00 0.73 N ATOM 476 CA CYS A 150 -1.604 -14.588 -3.895 1.00 0.79 C ATOM 477 C CYS A 150 -0.485 -14.407 -4.909 1.00 0.75 C ATOM 478 O CYS A 150 -0.501 -14.996 -5.993 1.00 0.87 O ATOM 479 CB CYS A 150 -2.754 -13.646 -4.218 1.00 0.78 C ATOM 480 SG CYS A 150 -2.256 -11.898 -4.227 1.00 0.82 S ATOM 0 H CYS A 150 -0.865 -13.336 -2.398 1.00 0.73 H new ATOM 0 HA CYS A 150 -1.953 -15.620 -3.943 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -3.167 -13.906 -5.193 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -3.550 -13.788 -3.487 1.00 0.78 H new ATOM 485 N GLY A 151 0.490 -13.585 -4.533 1.00 0.66 N ATOM 486 CA GLY A 151 1.566 -13.241 -5.428 1.00 0.70 C ATOM 487 C GLY A 151 1.176 -12.089 -6.323 1.00 0.66 C ATOM 488 O GLY A 151 1.663 -11.972 -7.447 1.00 0.76 O ATOM 0 H GLY A 151 0.548 -13.150 -3.612 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.452 -12.975 -4.852 1.00 0.70 H new ATOM 0 HA3 GLY A 151 1.829 -14.106 -6.036 1.00 0.70 H new ATOM 492 N LYS A 152 0.306 -11.226 -5.813 1.00 0.58 N ATOM 493 CA LYS A 152 -0.260 -10.155 -6.627 1.00 0.64 C ATOM 494 C LYS A 152 0.114 -8.790 -6.070 1.00 0.56 C ATOM 495 O LYS A 152 0.128 -8.585 -4.858 1.00 0.50 O ATOM 496 CB LYS A 152 -1.787 -10.327 -6.766 1.00 0.80 C ATOM 497 CG LYS A 152 -2.571 -9.081 -7.174 1.00 0.89 C ATOM 498 CD LYS A 152 -2.963 -8.254 -5.957 1.00 1.39 C ATOM 499 CE LYS A 152 -3.949 -7.153 -6.303 1.00 1.75 C ATOM 500 NZ LYS A 152 -5.264 -7.700 -6.740 1.00 2.37 N ATOM 0 H LYS A 152 -0.022 -11.245 -4.847 1.00 0.58 H new ATOM 0 HA LYS A 152 0.167 -10.218 -7.628 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -1.978 -11.108 -7.501 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.180 -10.683 -5.814 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -1.969 -8.475 -7.850 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -3.467 -9.375 -7.721 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -3.401 -8.907 -5.202 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -2.069 -7.813 -5.517 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -4.094 -6.510 -5.435 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -3.534 -6.530 -7.095 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -5.981 -6.948 -6.706 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -5.185 -8.059 -7.713 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -5.545 -8.476 -6.107 1.00 2.37 H new ATOM 514 N SER A 153 0.425 -7.871 -6.974 1.00 0.67 N ATOM 515 CA SER A 153 0.905 -6.553 -6.603 1.00 0.73 C ATOM 516 C SER A 153 -0.237 -5.605 -6.267 1.00 0.76 C ATOM 517 O SER A 153 -1.283 -5.595 -6.924 1.00 0.94 O ATOM 518 CB SER A 153 1.746 -5.977 -7.743 1.00 0.91 C ATOM 519 OG SER A 153 1.030 -6.009 -8.968 1.00 1.46 O ATOM 0 H SER A 153 0.351 -8.020 -7.980 1.00 0.67 H new ATOM 0 HA SER A 153 1.516 -6.658 -5.706 1.00 0.73 H new ATOM 0 HB2 SER A 153 2.028 -4.950 -7.509 1.00 0.91 H new ATOM 0 HB3 SER A 153 2.670 -6.547 -7.842 1.00 0.91 H new ATOM 0 HG SER A 153 0.949 -5.099 -9.324 1.00 1.46 H new ATOM 525 N LEU A 154 -0.018 -4.810 -5.240 1.00 0.71 N ATOM 526 CA LEU A 154 -0.958 -3.797 -4.814 1.00 0.76 C ATOM 527 C LEU A 154 -0.774 -2.554 -5.677 1.00 0.92 C ATOM 528 O LEU A 154 -0.025 -1.644 -5.329 1.00 1.13 O ATOM 529 CB LEU A 154 -0.717 -3.488 -3.333 1.00 0.70 C ATOM 530 CG LEU A 154 -0.782 -4.715 -2.420 1.00 0.70 C ATOM 531 CD1 LEU A 154 -0.230 -4.409 -1.038 1.00 0.85 C ATOM 532 CD2 LEU A 154 -2.211 -5.197 -2.320 1.00 0.86 C ATOM 0 H LEU A 154 0.828 -4.851 -4.672 1.00 0.71 H new ATOM 0 HA LEU A 154 -1.984 -4.147 -4.931 1.00 0.76 H new ATOM 0 HB2 LEU A 154 0.261 -3.020 -3.225 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -1.457 -2.761 -3.000 1.00 0.70 H new ATOM 0 HG LEU A 154 -0.163 -5.500 -2.855 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -0.291 -5.302 -0.416 1.00 0.85 H new ATOM 0 HD12 LEU A 154 0.811 -4.097 -1.123 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -0.813 -3.609 -0.582 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -2.256 -6.071 -1.670 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -2.834 -4.404 -1.906 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -2.575 -5.464 -3.312 1.00 0.86 H new ATOM 544 N GLU A 155 -1.472 -2.554 -6.814 1.00 1.24 N ATOM 545 CA GLU A 155 -1.325 -1.532 -7.850 1.00 1.53 C ATOM 546 C GLU A 155 -1.432 -0.116 -7.285 1.00 1.73 C ATOM 547 O GLU A 155 -0.555 0.717 -7.525 1.00 2.45 O ATOM 548 CB GLU A 155 -2.382 -1.740 -8.937 1.00 1.96 C ATOM 549 CG GLU A 155 -2.367 -3.135 -9.546 1.00 2.39 C ATOM 550 CD GLU A 155 -1.113 -3.423 -10.351 1.00 3.01 C ATOM 551 OE1 GLU A 155 -0.080 -3.789 -9.752 1.00 3.54 O ATOM 552 OE2 GLU A 155 -1.156 -3.297 -11.590 1.00 3.46 O ATOM 0 H GLU A 155 -2.161 -3.270 -7.043 1.00 1.24 H new ATOM 0 HA GLU A 155 -0.327 -1.638 -8.276 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -3.368 -1.548 -8.514 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -2.226 -1.006 -9.728 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -2.457 -3.873 -8.749 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -3.239 -3.253 -10.189 1.00 2.39 H new ATOM 559 N SER A 156 -2.517 0.170 -6.573 1.00 1.83 N ATOM 560 CA SER A 156 -2.683 1.471 -5.934 1.00 2.22 C ATOM 561 C SER A 156 -3.607 1.388 -4.713 1.00 1.96 C ATOM 562 O SER A 156 -3.154 1.130 -3.599 1.00 2.65 O ATOM 563 CB SER A 156 -3.217 2.501 -6.941 1.00 3.04 C ATOM 564 OG SER A 156 -2.342 2.634 -8.053 1.00 3.58 O ATOM 0 H SER A 156 -3.291 -0.478 -6.424 1.00 1.83 H new ATOM 0 HA SER A 156 -1.702 1.794 -5.585 1.00 2.22 H new ATOM 0 HB2 SER A 156 -4.205 2.197 -7.287 1.00 3.04 H new ATOM 0 HB3 SER A 156 -3.334 3.467 -6.450 1.00 3.04 H new ATOM 0 HG SER A 156 -1.473 2.238 -7.834 1.00 3.58 H new ATOM 570 N THR A 157 -4.904 1.569 -4.930 1.00 1.62 N ATOM 571 CA THR A 157 -5.862 1.654 -3.833 1.00 1.69 C ATOM 572 C THR A 157 -6.407 0.284 -3.434 1.00 1.51 C ATOM 573 O THR A 157 -7.480 -0.120 -3.876 1.00 2.11 O ATOM 574 CB THR A 157 -7.028 2.586 -4.214 1.00 2.15 C ATOM 575 OG1 THR A 157 -7.317 2.451 -5.612 1.00 2.66 O ATOM 576 CG2 THR A 157 -6.692 4.034 -3.893 1.00 2.67 C ATOM 0 H THR A 157 -5.318 1.660 -5.858 1.00 1.62 H new ATOM 0 HA THR A 157 -5.330 2.062 -2.974 1.00 1.69 H new ATOM 0 HB THR A 157 -7.904 2.301 -3.631 1.00 2.15 H new ATOM 0 HG1 THR A 157 -8.060 3.044 -5.851 1.00 2.66 H new ATOM 0 HG21 THR A 157 -7.531 4.672 -4.171 1.00 2.67 H new ATOM 0 HG22 THR A 157 -6.498 4.134 -2.825 1.00 2.67 H new ATOM 0 HG23 THR A 157 -5.806 4.335 -4.453 1.00 2.67 H new ATOM 584 N ASN A 158 -5.654 -0.427 -2.596 1.00 1.17 N ATOM 585 CA ASN A 158 -6.071 -1.741 -2.096 1.00 1.14 C ATOM 586 C ASN A 158 -5.053 -2.266 -1.087 1.00 0.94 C ATOM 587 O ASN A 158 -4.829 -3.470 -0.974 1.00 1.16 O ATOM 588 CB ASN A 158 -6.250 -2.754 -3.244 1.00 1.38 C ATOM 589 CG ASN A 158 -4.957 -3.127 -3.963 1.00 1.61 C ATOM 590 OD1 ASN A 158 -4.817 -4.244 -4.458 1.00 2.30 O ATOM 591 ND2 ASN A 158 -4.017 -2.199 -4.051 1.00 2.09 N ATOM 0 H ASN A 158 -4.748 -0.115 -2.246 1.00 1.17 H new ATOM 0 HA ASN A 158 -7.037 -1.620 -1.605 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -6.704 -3.661 -2.844 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -6.949 -2.341 -3.971 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -3.145 -2.401 -4.541 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -4.165 -1.282 -3.629 1.00 2.09 H new ATOM 598 N VAL A 159 -4.468 -1.347 -0.334 1.00 0.79 N ATOM 599 CA VAL A 159 -3.353 -1.668 0.544 1.00 0.72 C ATOM 600 C VAL A 159 -3.820 -1.902 1.980 1.00 0.69 C ATOM 601 O VAL A 159 -4.399 -1.010 2.603 1.00 0.83 O ATOM 602 CB VAL A 159 -2.306 -0.531 0.550 1.00 0.94 C ATOM 603 CG1 VAL A 159 -1.079 -0.932 1.353 1.00 1.27 C ATOM 604 CG2 VAL A 159 -1.919 -0.141 -0.870 1.00 1.59 C ATOM 0 H VAL A 159 -4.749 -0.367 -0.314 1.00 0.79 H new ATOM 0 HA VAL A 159 -2.904 -2.582 0.157 1.00 0.72 H new ATOM 0 HB VAL A 159 -2.756 0.339 1.028 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -0.356 -0.117 1.344 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -1.371 -1.146 2.381 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -0.629 -1.821 0.911 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -1.181 0.661 -0.839 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -1.495 -1.005 -1.382 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -2.804 0.201 -1.407 1.00 1.59 H new ATOM 614 N THR A 160 -3.573 -3.099 2.490 1.00 0.62 N ATOM 615 CA THR A 160 -3.830 -3.404 3.892 1.00 0.67 C ATOM 616 C THR A 160 -2.594 -4.024 4.534 1.00 0.70 C ATOM 617 O THR A 160 -2.144 -5.098 4.136 1.00 0.81 O ATOM 618 CB THR A 160 -5.041 -4.346 4.060 1.00 0.71 C ATOM 619 OG1 THR A 160 -5.074 -5.304 2.997 1.00 1.16 O ATOM 620 CG2 THR A 160 -6.344 -3.560 4.079 1.00 1.08 C ATOM 0 H THR A 160 -3.193 -3.879 1.953 1.00 0.62 H new ATOM 0 HA THR A 160 -4.065 -2.465 4.394 1.00 0.67 H new ATOM 0 HB THR A 160 -4.934 -4.865 5.012 1.00 0.71 H new ATOM 0 HG1 THR A 160 -4.163 -5.468 2.676 1.00 1.16 H new ATOM 0 HG21 THR A 160 -7.182 -4.247 4.198 1.00 1.08 H new ATOM 0 HG22 THR A 160 -6.332 -2.855 4.910 1.00 1.08 H new ATOM 0 HG23 THR A 160 -6.453 -3.014 3.142 1.00 1.08 H new ATOM 628 N ASP A 161 -2.039 -3.328 5.513 1.00 0.82 N ATOM 629 CA ASP A 161 -0.816 -3.769 6.176 1.00 0.93 C ATOM 630 C ASP A 161 -1.137 -4.612 7.400 1.00 0.96 C ATOM 631 O ASP A 161 -2.054 -4.296 8.163 1.00 1.06 O ATOM 632 CB ASP A 161 0.040 -2.562 6.583 1.00 1.18 C ATOM 633 CG ASP A 161 1.228 -2.950 7.444 1.00 1.61 C ATOM 634 OD1 ASP A 161 2.273 -3.338 6.888 1.00 2.27 O ATOM 635 OD2 ASP A 161 1.122 -2.858 8.688 1.00 2.13 O ATOM 0 H ASP A 161 -2.416 -2.450 5.870 1.00 0.82 H new ATOM 0 HA ASP A 161 -0.253 -4.381 5.471 1.00 0.93 H new ATOM 0 HB2 ASP A 161 0.397 -2.056 5.686 1.00 1.18 H new ATOM 0 HB3 ASP A 161 -0.580 -1.849 7.126 1.00 1.18 H new ATOM 640 N LYS A 162 -0.400 -5.693 7.572 1.00 0.98 N ATOM 641 CA LYS A 162 -0.554 -6.530 8.746 1.00 1.10 C ATOM 642 C LYS A 162 0.787 -6.744 9.428 1.00 1.22 C ATOM 643 O LYS A 162 1.582 -7.585 8.998 1.00 1.27 O ATOM 644 CB LYS A 162 -1.164 -7.881 8.380 1.00 1.17 C ATOM 645 CG LYS A 162 -1.405 -8.768 9.589 1.00 1.55 C ATOM 646 CD LYS A 162 -1.735 -10.197 9.197 1.00 1.86 C ATOM 647 CE LYS A 162 -1.902 -11.073 10.426 1.00 2.36 C ATOM 648 NZ LYS A 162 -0.705 -11.038 11.308 1.00 2.95 N ATOM 0 H LYS A 162 0.311 -6.012 6.914 1.00 0.98 H new ATOM 0 HA LYS A 162 -1.228 -6.017 9.433 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -2.109 -7.719 7.861 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -0.502 -8.396 7.684 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -0.519 -8.763 10.223 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -2.223 -8.358 10.181 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -2.651 -10.214 8.607 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -0.942 -10.597 8.566 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -2.776 -10.744 10.989 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -2.092 -12.100 10.115 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 -0.775 -11.794 12.018 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 0.152 -11.179 10.736 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -0.654 -10.117 11.787 1.00 2.95 H new ATOM 662 N ASP A 163 1.043 -5.936 10.457 1.00 1.37 N ATOM 663 CA ASP A 163 2.216 -6.077 11.335 1.00 1.58 C ATOM 664 C ASP A 163 3.513 -5.647 10.651 1.00 1.48 C ATOM 665 O ASP A 163 4.441 -5.168 11.310 1.00 1.94 O ATOM 666 CB ASP A 163 2.356 -7.514 11.860 1.00 1.83 C ATOM 667 CG ASP A 163 1.196 -7.930 12.743 1.00 2.42 C ATOM 668 OD1 ASP A 163 1.021 -7.333 13.825 1.00 2.80 O ATOM 669 OD2 ASP A 163 0.447 -8.851 12.353 1.00 2.97 O ATOM 0 H ASP A 163 0.438 -5.155 10.711 1.00 1.37 H new ATOM 0 HA ASP A 163 2.044 -5.407 12.178 1.00 1.58 H new ATOM 0 HB2 ASP A 163 2.429 -8.199 11.016 1.00 1.83 H new ATOM 0 HB3 ASP A 163 3.285 -7.602 12.423 1.00 1.83 H new ATOM 674 N GLY A 164 3.576 -5.804 9.341 1.00 1.41 N ATOM 675 CA GLY A 164 4.775 -5.471 8.606 1.00 1.46 C ATOM 676 C GLY A 164 4.737 -5.981 7.181 1.00 1.29 C ATOM 677 O GLY A 164 5.484 -5.505 6.326 1.00 1.45 O ATOM 0 H GLY A 164 2.811 -6.160 8.768 1.00 1.41 H new ATOM 0 HA2 GLY A 164 4.905 -4.389 8.599 1.00 1.46 H new ATOM 0 HA3 GLY A 164 5.640 -5.893 9.117 1.00 1.46 H new ATOM 681 N GLU A 165 3.877 -6.960 6.923 1.00 1.10 N ATOM 682 CA GLU A 165 3.701 -7.472 5.573 1.00 1.01 C ATOM 683 C GLU A 165 2.529 -6.795 4.887 1.00 0.86 C ATOM 684 O GLU A 165 1.491 -6.531 5.502 1.00 0.92 O ATOM 685 CB GLU A 165 3.494 -8.984 5.574 1.00 1.13 C ATOM 686 CG GLU A 165 4.788 -9.777 5.590 1.00 1.48 C ATOM 687 CD GLU A 165 4.838 -10.815 4.486 1.00 1.70 C ATOM 688 OE1 GLU A 165 4.173 -11.870 4.622 1.00 2.21 O ATOM 689 OE2 GLU A 165 5.533 -10.576 3.471 1.00 2.17 O ATOM 0 H GLU A 165 3.295 -7.412 7.628 1.00 1.10 H new ATOM 0 HA GLU A 165 4.614 -7.249 5.020 1.00 1.01 H new ATOM 0 HB2 GLU A 165 2.898 -9.260 6.444 1.00 1.13 H new ATOM 0 HB3 GLU A 165 2.918 -9.264 4.692 1.00 1.13 H new ATOM 0 HG2 GLU A 165 5.631 -9.095 5.483 1.00 1.48 H new ATOM 0 HG3 GLU A 165 4.898 -10.271 6.556 1.00 1.48 H new ATOM 696 N LEU A 166 2.708 -6.533 3.605 1.00 0.77 N ATOM 697 CA LEU A 166 1.697 -5.872 2.801 1.00 0.65 C ATOM 698 C LEU A 166 0.768 -6.916 2.199 1.00 0.55 C ATOM 699 O LEU A 166 1.226 -7.835 1.522 1.00 0.63 O ATOM 700 CB LEU A 166 2.341 -5.046 1.673 1.00 0.71 C ATOM 701 CG LEU A 166 3.353 -3.969 2.092 1.00 0.86 C ATOM 702 CD1 LEU A 166 2.790 -3.094 3.204 1.00 1.25 C ATOM 703 CD2 LEU A 166 4.676 -4.592 2.512 1.00 1.21 C ATOM 0 H LEU A 166 3.557 -6.772 3.093 1.00 0.77 H new ATOM 0 HA LEU A 166 1.133 -5.196 3.443 1.00 0.65 H new ATOM 0 HB2 LEU A 166 2.841 -5.734 0.991 1.00 0.71 H new ATOM 0 HB3 LEU A 166 1.544 -4.562 1.109 1.00 0.71 H new ATOM 0 HG LEU A 166 3.541 -3.335 1.225 1.00 0.86 H new ATOM 0 HD11 LEU A 166 3.526 -2.340 3.482 1.00 1.25 H new ATOM 0 HD12 LEU A 166 1.881 -2.603 2.856 1.00 1.25 H new ATOM 0 HD13 LEU A 166 2.559 -3.712 4.071 1.00 1.25 H new ATOM 0 HD21 LEU A 166 5.372 -3.806 2.803 1.00 1.21 H new ATOM 0 HD22 LEU A 166 4.511 -5.262 3.356 1.00 1.21 H new ATOM 0 HD23 LEU A 166 5.094 -5.156 1.678 1.00 1.21 H new ATOM 715 N TYR A 167 -0.521 -6.792 2.462 1.00 0.46 N ATOM 716 CA TYR A 167 -1.495 -7.731 1.930 1.00 0.38 C ATOM 717 C TYR A 167 -2.594 -6.994 1.177 1.00 0.33 C ATOM 718 O TYR A 167 -2.903 -5.838 1.482 1.00 0.45 O ATOM 719 CB TYR A 167 -2.100 -8.575 3.057 1.00 0.46 C ATOM 720 CG TYR A 167 -1.094 -9.470 3.755 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.363 -10.412 3.041 1.00 0.74 C ATOM 722 CD2 TYR A 167 -0.878 -9.371 5.122 1.00 0.79 C ATOM 723 CE1 TYR A 167 0.554 -11.230 3.670 1.00 0.94 C ATOM 724 CE2 TYR A 167 0.040 -10.187 5.759 1.00 0.97 C ATOM 725 CZ TYR A 167 0.752 -11.113 5.028 1.00 1.03 C ATOM 726 OH TYR A 167 1.666 -11.928 5.659 1.00 1.23 O ATOM 0 H TYR A 167 -0.918 -6.051 3.040 1.00 0.46 H new ATOM 0 HA TYR A 167 -0.983 -8.395 1.234 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.554 -7.911 3.792 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -2.900 -9.192 2.648 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -0.515 -10.506 1.976 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -1.435 -8.646 5.697 1.00 0.79 H new ATOM 0 HE1 TYR A 167 1.113 -11.958 3.100 1.00 0.94 H new ATOM 0 HE2 TYR A 167 0.198 -10.099 6.824 1.00 0.97 H new ATOM 0 HH TYR A 167 2.506 -11.930 5.154 1.00 1.23 H new ATOM 736 N CYS A 168 -3.161 -7.664 0.183 1.00 0.30 N ATOM 737 CA CYS A 168 -4.251 -7.105 -0.599 1.00 0.38 C ATOM 738 C CYS A 168 -5.521 -7.041 0.233 1.00 0.45 C ATOM 739 O CYS A 168 -5.752 -7.889 1.094 1.00 0.47 O ATOM 740 CB CYS A 168 -4.503 -7.969 -1.834 1.00 0.46 C ATOM 741 SG CYS A 168 -2.987 -8.587 -2.626 1.00 0.52 S ATOM 0 H CYS A 168 -2.880 -8.603 -0.101 1.00 0.30 H new ATOM 0 HA CYS A 168 -3.973 -6.097 -0.907 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.124 -8.818 -1.550 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.070 -7.388 -2.562 1.00 0.46 H new ATOM 746 N LYS A 169 -6.341 -6.039 -0.046 1.00 0.60 N ATOM 747 CA LYS A 169 -7.615 -5.861 0.643 1.00 0.72 C ATOM 748 C LYS A 169 -8.507 -7.093 0.467 1.00 0.69 C ATOM 749 O LYS A 169 -9.375 -7.370 1.296 1.00 0.75 O ATOM 750 CB LYS A 169 -8.326 -4.606 0.125 1.00 0.94 C ATOM 751 CG LYS A 169 -9.533 -4.201 0.956 1.00 1.57 C ATOM 752 CD LYS A 169 -10.165 -2.920 0.442 1.00 1.97 C ATOM 753 CE LYS A 169 -11.351 -2.499 1.296 1.00 2.66 C ATOM 754 NZ LYS A 169 -12.487 -3.452 1.174 1.00 3.12 N ATOM 0 H LYS A 169 -6.146 -5.329 -0.752 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.415 -5.737 1.707 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -7.616 -3.779 0.105 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -8.645 -4.778 -0.903 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -10.271 -5.003 0.940 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -9.231 -4.066 1.995 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -9.421 -2.124 0.434 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -10.490 -3.062 -0.589 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -11.042 -2.433 2.339 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -11.678 -1.503 0.997 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -13.325 -3.056 1.646 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -12.699 -3.612 0.169 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -12.232 -4.355 1.622 1.00 3.12 H new ATOM 768 N VAL A 170 -8.283 -7.824 -0.621 1.00 0.70 N ATOM 769 CA VAL A 170 -9.026 -9.049 -0.896 1.00 0.77 C ATOM 770 C VAL A 170 -8.482 -10.210 -0.061 1.00 0.69 C ATOM 771 O VAL A 170 -9.241 -10.946 0.574 1.00 0.78 O ATOM 772 CB VAL A 170 -8.944 -9.423 -2.392 1.00 0.88 C ATOM 773 CG1 VAL A 170 -9.798 -10.644 -2.695 1.00 1.02 C ATOM 774 CG2 VAL A 170 -9.360 -8.250 -3.263 1.00 1.02 C ATOM 0 H VAL A 170 -7.589 -7.587 -1.330 1.00 0.70 H new ATOM 0 HA VAL A 170 -10.067 -8.866 -0.630 1.00 0.77 H new ATOM 0 HB VAL A 170 -7.907 -9.670 -2.621 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -9.723 -10.887 -3.755 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -9.447 -11.490 -2.103 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -10.837 -10.432 -2.444 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -9.295 -8.535 -4.313 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -10.386 -7.967 -3.027 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -8.698 -7.405 -3.075 1.00 1.02 H new ATOM 784 N CYS A 171 -7.164 -10.357 -0.057 1.00 0.58 N ATOM 785 CA CYS A 171 -6.504 -11.429 0.673 1.00 0.59 C ATOM 786 C CYS A 171 -6.613 -11.213 2.182 1.00 0.57 C ATOM 787 O CYS A 171 -6.701 -12.167 2.957 1.00 0.66 O ATOM 788 CB CYS A 171 -5.050 -11.506 0.220 1.00 0.58 C ATOM 789 SG CYS A 171 -4.890 -11.662 -1.587 1.00 0.80 S ATOM 0 H CYS A 171 -6.525 -9.739 -0.558 1.00 0.58 H new ATOM 0 HA CYS A 171 -6.995 -12.378 0.457 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.521 -10.613 0.553 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -4.568 -12.358 0.699 1.00 0.58 H new ATOM 794 N TYR A 172 -6.626 -9.952 2.589 1.00 0.51 N ATOM 795 CA TYR A 172 -6.830 -9.591 3.986 1.00 0.59 C ATOM 796 C TYR A 172 -8.238 -9.993 4.425 1.00 0.67 C ATOM 797 O TYR A 172 -8.461 -10.392 5.569 1.00 0.76 O ATOM 798 CB TYR A 172 -6.623 -8.085 4.160 1.00 0.65 C ATOM 799 CG TYR A 172 -6.538 -7.621 5.596 1.00 0.89 C ATOM 800 CD1 TYR A 172 -5.334 -7.669 6.288 1.00 1.29 C ATOM 801 CD2 TYR A 172 -7.651 -7.110 6.248 1.00 1.24 C ATOM 802 CE1 TYR A 172 -5.246 -7.227 7.593 1.00 1.57 C ATOM 803 CE2 TYR A 172 -7.571 -6.662 7.552 1.00 1.45 C ATOM 804 CZ TYR A 172 -6.367 -6.722 8.220 1.00 1.48 C ATOM 805 OH TYR A 172 -6.280 -6.270 9.515 1.00 1.78 O ATOM 0 H TYR A 172 -6.497 -9.155 1.966 1.00 0.51 H new ATOM 0 HA TYR A 172 -6.109 -10.120 4.609 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.707 -7.796 3.644 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.444 -7.560 3.671 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -4.454 -8.058 5.798 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -8.596 -7.062 5.727 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -4.305 -7.276 8.120 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -8.447 -6.267 8.045 1.00 1.45 H new ATOM 0 HH TYR A 172 -7.157 -5.946 9.808 1.00 1.78 H new ATOM 815 N ALA A 173 -9.173 -9.913 3.486 1.00 0.72 N ATOM 816 CA ALA A 173 -10.556 -10.285 3.737 1.00 0.87 C ATOM 817 C ALA A 173 -10.706 -11.802 3.827 1.00 0.91 C ATOM 818 O ALA A 173 -11.645 -12.303 4.437 1.00 1.05 O ATOM 819 CB ALA A 173 -11.463 -9.726 2.653 1.00 1.05 C ATOM 0 H ALA A 173 -8.994 -9.590 2.535 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.853 -9.857 4.694 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.494 -10.014 2.857 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.386 -8.639 2.639 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -11.160 -10.124 1.684 1.00 1.05 H new ATOM 825 N LYS A 174 -9.789 -12.527 3.201 1.00 0.89 N ATOM 826 CA LYS A 174 -9.813 -13.982 3.254 1.00 1.06 C ATOM 827 C LYS A 174 -9.449 -14.472 4.654 1.00 1.08 C ATOM 828 O LYS A 174 -10.069 -15.393 5.184 1.00 1.27 O ATOM 829 CB LYS A 174 -8.840 -14.581 2.236 1.00 1.17 C ATOM 830 CG LYS A 174 -8.867 -16.101 2.196 1.00 1.67 C ATOM 831 CD LYS A 174 -7.683 -16.674 1.433 1.00 2.21 C ATOM 832 CE LYS A 174 -7.670 -16.236 -0.021 1.00 2.63 C ATOM 833 NZ LYS A 174 -6.535 -16.842 -0.767 1.00 3.36 N ATOM 0 H LYS A 174 -9.023 -12.134 2.653 1.00 0.89 H new ATOM 0 HA LYS A 174 -10.824 -14.308 3.010 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -9.079 -14.195 1.245 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -7.829 -14.249 2.472 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -8.864 -16.490 3.214 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -9.794 -16.435 1.730 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -6.757 -16.359 1.914 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -7.714 -17.762 1.482 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -8.610 -16.519 -0.495 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -7.601 -15.149 -0.073 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -6.558 -16.520 -1.756 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -5.637 -16.551 -0.329 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -6.615 -17.879 -0.738 1.00 3.36 H new ATOM 847 N ASN A 175 -8.450 -13.836 5.250 1.00 1.04 N ATOM 848 CA ASN A 175 -7.925 -14.270 6.540 1.00 1.24 C ATOM 849 C ASN A 175 -8.693 -13.643 7.698 1.00 1.33 C ATOM 850 O ASN A 175 -9.152 -14.346 8.599 1.00 1.56 O ATOM 851 CB ASN A 175 -6.434 -13.940 6.652 1.00 1.47 C ATOM 852 CG ASN A 175 -5.593 -14.705 5.645 1.00 1.90 C ATOM 853 OD1 ASN A 175 -5.138 -15.817 5.913 1.00 2.65 O ATOM 854 ND2 ASN A 175 -5.383 -14.121 4.475 1.00 2.25 N ATOM 0 H ASN A 175 -7.985 -13.016 4.861 1.00 1.04 H new ATOM 0 HA ASN A 175 -8.054 -15.351 6.600 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -6.290 -12.870 6.503 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -6.088 -14.171 7.660 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -4.829 -14.594 3.761 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -5.776 -13.198 4.288 1.00 2.25 H new ATOM 861 N PHE A 176 -8.830 -12.325 7.678 1.00 1.30 N ATOM 862 CA PHE A 176 -9.582 -11.626 8.715 1.00 1.58 C ATOM 863 C PHE A 176 -11.021 -11.404 8.282 1.00 2.55 C ATOM 864 O PHE A 176 -11.963 -11.852 8.938 1.00 3.04 O ATOM 865 CB PHE A 176 -8.936 -10.279 9.052 1.00 1.55 C ATOM 866 CG PHE A 176 -7.685 -10.388 9.874 1.00 2.24 C ATOM 867 CD1 PHE A 176 -6.447 -10.519 9.267 1.00 2.85 C ATOM 868 CD2 PHE A 176 -7.751 -10.354 11.257 1.00 2.73 C ATOM 869 CE1 PHE A 176 -5.298 -10.616 10.028 1.00 3.93 C ATOM 870 CE2 PHE A 176 -6.605 -10.451 12.022 1.00 3.72 C ATOM 871 CZ PHE A 176 -5.377 -10.582 11.408 1.00 4.32 C ATOM 0 H PHE A 176 -8.433 -11.719 6.960 1.00 1.30 H new ATOM 0 HA PHE A 176 -9.570 -12.254 9.606 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -8.704 -9.757 8.124 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -9.659 -9.666 9.590 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -6.379 -10.546 8.189 1.00 2.85 H new ATOM 0 HD2 PHE A 176 -8.710 -10.250 11.743 1.00 2.73 H new ATOM 0 HE1 PHE A 176 -4.338 -10.718 9.545 1.00 3.93 H new ATOM 0 HE2 PHE A 176 -6.671 -10.424 13.100 1.00 3.72 H new ATOM 0 HZ PHE A 176 -4.479 -10.658 12.004 1.00 4.32 H new TER 881 PHE A 176 HETATM 882 ZN ZN A 190 -2.848 -10.853 -2.277 1.00 0.51 ZN HETATM 883 ZN ZN A 191 11.000 -3.428 -4.185 1.00 0.75 ZN