USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 LYS NZ :NH3+ 180:sc= 0.488 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 30:sc= 0.331 USER MOD Set 2.1: A 111 CYS SG : rot -152:sc= -0.845 USER MOD Set 2.2: A 115 CYS SG : rot 126:sc= 0.863 USER MOD Set 2.3: A 125 CYS SG : rot -150:sc= 0.719 USER MOD Set 2.4: A 128 CYS SG : rot 139:sc= -0.589 USER MOD Set 3.1: A 74 CYS SG : rot -10:sc= -1.02 USER MOD Set 3.2: A 77 CYS SG : rot -58:sc= 0.367! USER MOD Set 3.3: A 91 CYS SG : rot -130:sc= 0.883 USER MOD Set 3.4: A 94 CYS SG : rot 144:sc= 0.173 USER MOD Set 4.1: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 82 SER OG : rot -101:sc= 0.221 USER MOD Set 5.2: A 85 HIS : no HE2:sc= -2.02 K(o=-1.8,f=-5.1!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 101 THR OG1 : rot 74:sc= 0.191 USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.377) USER MOD Single : A 118 GLN : amide:sc= -0.138 K(o=-0.14,f=-2.2!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN :FLIP amide:sc= -1.1 F(o=-2.4,f=-1.1) USER MOD Single : A 123 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.0035) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -0.138 K(o=-0.14,f=-3!) USER MOD Single : A 131 GLN : amide:sc= -0.584 X(o=-0.58,f=-0.58) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 CYS SG : rot 180:sc= 0 USER MOD Single : A 138 MET CE :methyl 141:sc= -2.86 (180deg=-7.86!) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HD1:sc= -0.843 K(o=-0.84,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 6.858 10.355 -7.748 1.00 0.00 N ATOM 84 CA GLU A 73 7.070 8.959 -8.114 1.00 0.00 C ATOM 85 C GLU A 73 6.183 8.038 -7.280 1.00 0.00 C ATOM 86 O GLU A 73 6.123 8.156 -6.056 1.00 0.00 O ATOM 87 CB GLU A 73 8.539 8.577 -7.927 1.00 0.00 C ATOM 88 CG GLU A 73 9.378 8.751 -9.182 1.00 0.00 C ATOM 89 CD GLU A 73 10.832 9.053 -8.874 1.00 0.00 C ATOM 90 OE1 GLU A 73 11.452 8.275 -8.119 1.00 0.00 O ATOM 91 OE2 GLU A 73 11.350 10.066 -9.389 1.00 0.00 O ATOM 0 HA GLU A 73 6.803 8.840 -9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.965 9.185 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.597 7.538 -7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.319 7.844 -9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.962 9.559 -9.783 1.00 0.00 H new ATOM 98 N CYS A 74 5.496 7.121 -7.953 1.00 0.00 N ATOM 99 CA CYS A 74 4.612 6.179 -7.277 1.00 0.00 C ATOM 100 C CYS A 74 5.303 5.554 -6.069 1.00 0.00 C ATOM 101 O CYS A 74 6.402 5.011 -6.182 1.00 0.00 O ATOM 102 CB CYS A 74 4.163 5.083 -8.245 1.00 0.00 C ATOM 103 SG CYS A 74 2.990 3.889 -7.525 1.00 0.00 S ATOM 0 H CYS A 74 5.535 7.010 -8.966 1.00 0.00 H new ATOM 0 HA CYS A 74 3.737 6.728 -6.929 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.702 5.549 -9.116 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.042 4.544 -8.600 1.00 0.00 H new ATOM 0 HG CYS A 74 2.915 4.075 -6.241 1.00 0.00 H new ATOM 108 N ARG A 75 4.652 5.635 -4.913 1.00 0.00 N ATOM 109 CA ARG A 75 5.204 5.079 -3.684 1.00 0.00 C ATOM 110 C ARG A 75 4.855 3.599 -3.552 1.00 0.00 C ATOM 111 O ARG A 75 4.779 3.064 -2.446 1.00 0.00 O ATOM 112 CB ARG A 75 4.679 5.847 -2.470 1.00 0.00 C ATOM 113 CG ARG A 75 4.889 7.350 -2.563 1.00 0.00 C ATOM 114 CD ARG A 75 6.231 7.762 -1.978 1.00 0.00 C ATOM 115 NE ARG A 75 6.301 9.199 -1.728 1.00 0.00 N ATOM 116 CZ ARG A 75 5.561 9.824 -0.820 1.00 0.00 C ATOM 117 NH1 ARG A 75 4.700 9.142 -0.077 1.00 0.00 N ATOM 118 NH2 ARG A 75 5.682 11.135 -0.651 1.00 0.00 N ATOM 0 H ARG A 75 3.741 6.081 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 75 6.289 5.177 -3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.614 5.644 -2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.174 5.474 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.834 7.662 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.087 7.864 -2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.401 7.223 -1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.029 7.474 -2.663 1.00 0.00 H new ATOM 0 HE ARG A 75 6.954 9.753 -2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.605 8.134 -0.202 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.133 9.625 0.620 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.344 11.663 -1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.113 11.614 0.047 1.00 0.00 H new ATOM 132 N VAL A 76 4.644 2.943 -4.689 1.00 0.00 N ATOM 133 CA VAL A 76 4.304 1.525 -4.701 1.00 0.00 C ATOM 134 C VAL A 76 5.217 0.749 -5.644 1.00 0.00 C ATOM 135 O VAL A 76 5.691 -0.338 -5.312 1.00 0.00 O ATOM 136 CB VAL A 76 2.840 1.303 -5.124 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.530 -0.184 -5.216 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.894 1.993 -4.152 1.00 0.00 C ATOM 0 H VAL A 76 4.703 3.371 -5.613 1.00 0.00 H new ATOM 0 HA VAL A 76 4.440 1.158 -3.684 1.00 0.00 H new ATOM 0 HB VAL A 76 2.695 1.742 -6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.491 -0.321 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.185 -0.647 -5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.691 -0.650 -4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.864 1.826 -4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.039 1.585 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.101 3.063 -4.141 1.00 0.00 H new ATOM 148 N CYS A 77 5.460 1.314 -6.821 1.00 0.00 N ATOM 149 CA CYS A 77 6.317 0.676 -7.814 1.00 0.00 C ATOM 150 C CYS A 77 7.511 1.564 -8.153 1.00 0.00 C ATOM 151 O CYS A 77 8.649 1.100 -8.201 1.00 0.00 O ATOM 152 CB CYS A 77 5.520 0.368 -9.083 1.00 0.00 C ATOM 153 SG CYS A 77 5.005 1.846 -10.015 1.00 0.00 S ATOM 0 H CYS A 77 5.076 2.213 -7.111 1.00 0.00 H new ATOM 0 HA CYS A 77 6.689 -0.257 -7.391 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.123 -0.266 -9.733 1.00 0.00 H new ATOM 0 HB3 CYS A 77 4.633 -0.205 -8.812 1.00 0.00 H new ATOM 0 HG CYS A 77 4.282 2.610 -9.252 1.00 0.00 H new ATOM 158 N GLY A 78 7.242 2.845 -8.387 1.00 0.00 N ATOM 159 CA GLY A 78 8.303 3.778 -8.718 1.00 0.00 C ATOM 160 C GLY A 78 7.945 4.671 -9.889 1.00 0.00 C ATOM 161 O GLY A 78 8.300 5.850 -9.910 1.00 0.00 O ATOM 0 H GLY A 78 6.308 3.253 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.524 4.396 -7.848 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.211 3.223 -8.953 1.00 0.00 H new ATOM 165 N ASP A 79 7.243 4.110 -10.866 1.00 0.00 N ATOM 166 CA ASP A 79 6.837 4.863 -12.047 1.00 0.00 C ATOM 167 C ASP A 79 6.140 6.161 -11.650 1.00 0.00 C ATOM 168 O ASP A 79 5.614 6.283 -10.544 1.00 0.00 O ATOM 169 CB ASP A 79 5.911 4.019 -12.924 1.00 0.00 C ATOM 170 CG ASP A 79 5.669 4.647 -14.282 1.00 0.00 C ATOM 171 OD1 ASP A 79 6.650 4.834 -15.032 1.00 0.00 O ATOM 172 OD2 ASP A 79 4.499 4.952 -14.596 1.00 0.00 O ATOM 0 H ASP A 79 6.943 3.135 -10.864 1.00 0.00 H new ATOM 0 HA ASP A 79 7.733 5.112 -12.615 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.345 3.028 -13.057 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.957 3.883 -12.415 1.00 0.00 H new ATOM 177 N LYS A 80 6.140 7.129 -12.560 1.00 0.00 N ATOM 178 CA LYS A 80 5.508 8.418 -12.307 1.00 0.00 C ATOM 179 C LYS A 80 4.191 8.241 -11.559 1.00 0.00 C ATOM 180 O LYS A 80 3.368 7.401 -11.922 1.00 0.00 O ATOM 181 CB LYS A 80 5.262 9.157 -13.625 1.00 0.00 C ATOM 182 CG LYS A 80 5.160 10.664 -13.468 1.00 0.00 C ATOM 183 CD LYS A 80 4.444 11.300 -14.647 1.00 0.00 C ATOM 184 CE LYS A 80 4.882 12.742 -14.853 1.00 0.00 C ATOM 185 NZ LYS A 80 3.929 13.493 -15.718 1.00 0.00 N ATOM 0 H LYS A 80 6.571 7.045 -13.481 1.00 0.00 H new ATOM 0 HA LYS A 80 6.182 9.009 -11.686 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.071 8.926 -14.318 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.342 8.784 -14.075 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.627 10.900 -12.547 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.159 11.090 -13.375 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.646 10.725 -15.550 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.367 11.266 -14.482 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.964 13.238 -13.886 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.874 12.759 -15.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.263 14.471 -15.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.870 13.034 -16.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.988 13.499 -15.275 1.00 0.00 H new ATOM 199 N ALA A 81 3.998 9.038 -10.513 1.00 0.00 N ATOM 200 CA ALA A 81 2.779 8.970 -9.716 1.00 0.00 C ATOM 201 C ALA A 81 1.692 9.869 -10.298 1.00 0.00 C ATOM 202 O ALA A 81 1.714 11.085 -10.111 1.00 0.00 O ATOM 203 CB ALA A 81 3.070 9.357 -8.273 1.00 0.00 C ATOM 0 H ALA A 81 4.670 9.738 -10.198 1.00 0.00 H new ATOM 0 HA ALA A 81 2.416 7.943 -9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.151 9.302 -7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.808 8.672 -7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.460 10.374 -8.241 1.00 0.00 H new ATOM 209 N SER A 82 0.744 9.261 -11.003 1.00 0.00 N ATOM 210 CA SER A 82 -0.349 10.007 -11.616 1.00 0.00 C ATOM 211 C SER A 82 -0.749 11.196 -10.748 1.00 0.00 C ATOM 212 O SER A 82 -0.778 12.336 -11.212 1.00 0.00 O ATOM 213 CB SER A 82 -1.557 9.094 -11.837 1.00 0.00 C ATOM 214 OG SER A 82 -2.728 9.850 -12.092 1.00 0.00 O ATOM 0 H SER A 82 0.710 8.254 -11.164 1.00 0.00 H new ATOM 0 HA SER A 82 -0.004 10.382 -12.580 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.363 8.425 -12.675 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.709 8.468 -10.958 1.00 0.00 H new ATOM 0 HG SER A 82 -3.272 9.895 -11.278 1.00 0.00 H new ATOM 220 N GLY A 83 -1.057 10.922 -9.484 1.00 0.00 N ATOM 221 CA GLY A 83 -1.451 11.979 -8.571 1.00 0.00 C ATOM 222 C GLY A 83 -1.917 11.443 -7.232 1.00 0.00 C ATOM 223 O GLY A 83 -1.411 10.430 -6.749 1.00 0.00 O ATOM 0 H GLY A 83 -1.041 9.987 -9.076 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.609 12.654 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.251 12.566 -9.023 1.00 0.00 H new ATOM 227 N PHE A 84 -2.884 12.126 -6.628 1.00 0.00 N ATOM 228 CA PHE A 84 -3.417 11.714 -5.334 1.00 0.00 C ATOM 229 C PHE A 84 -4.516 10.670 -5.506 1.00 0.00 C ATOM 230 O PHE A 84 -5.506 10.902 -6.201 1.00 0.00 O ATOM 231 CB PHE A 84 -3.964 12.925 -4.575 1.00 0.00 C ATOM 232 CG PHE A 84 -4.562 12.577 -3.242 1.00 0.00 C ATOM 233 CD1 PHE A 84 -3.750 12.353 -2.141 1.00 0.00 C ATOM 234 CD2 PHE A 84 -5.935 12.476 -3.089 1.00 0.00 C ATOM 235 CE1 PHE A 84 -4.297 12.032 -0.914 1.00 0.00 C ATOM 236 CE2 PHE A 84 -6.488 12.155 -1.863 1.00 0.00 C ATOM 237 CZ PHE A 84 -5.668 11.934 -0.774 1.00 0.00 C ATOM 0 H PHE A 84 -3.314 12.967 -7.013 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.604 11.270 -4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.159 13.645 -4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.721 13.416 -5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.678 12.430 -2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.581 12.650 -3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.653 11.858 -0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.560 12.077 -1.757 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.098 11.685 0.185 1.00 0.00 H new ATOM 247 N HIS A 85 -4.334 9.517 -4.869 1.00 0.00 N ATOM 248 CA HIS A 85 -5.310 8.436 -4.951 1.00 0.00 C ATOM 249 C HIS A 85 -5.258 7.562 -3.702 1.00 0.00 C ATOM 250 O HIS A 85 -4.184 7.145 -3.268 1.00 0.00 O ATOM 251 CB HIS A 85 -5.055 7.584 -6.195 1.00 0.00 C ATOM 252 CG HIS A 85 -4.661 8.384 -7.398 1.00 0.00 C ATOM 253 ND1 HIS A 85 -5.560 9.125 -8.137 1.00 0.00 N ATOM 254 CD2 HIS A 85 -3.456 8.558 -7.990 1.00 0.00 C ATOM 255 CE1 HIS A 85 -4.925 9.718 -9.131 1.00 0.00 C ATOM 256 NE2 HIS A 85 -3.647 9.391 -9.065 1.00 0.00 N ATOM 0 H HIS A 85 -3.520 9.308 -4.291 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.303 8.880 -5.021 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -4.269 6.862 -5.976 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -5.955 7.015 -6.426 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -6.559 9.203 -7.945 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -2.519 8.123 -7.675 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -5.374 10.362 -9.873 1.00 0.00 H new ATOM 264 N TYR A 86 -6.425 7.289 -3.128 1.00 0.00 N ATOM 265 CA TYR A 86 -6.512 6.467 -1.927 1.00 0.00 C ATOM 266 C TYR A 86 -5.611 7.016 -0.825 1.00 0.00 C ATOM 267 O TYR A 86 -5.170 6.279 0.057 1.00 0.00 O ATOM 268 CB TYR A 86 -6.126 5.021 -2.244 1.00 0.00 C ATOM 269 CG TYR A 86 -6.936 4.410 -3.364 1.00 0.00 C ATOM 270 CD1 TYR A 86 -6.635 4.679 -4.693 1.00 0.00 C ATOM 271 CD2 TYR A 86 -8.003 3.561 -3.093 1.00 0.00 C ATOM 272 CE1 TYR A 86 -7.374 4.123 -5.720 1.00 0.00 C ATOM 273 CE2 TYR A 86 -8.746 3.000 -4.113 1.00 0.00 C ATOM 274 CZ TYR A 86 -8.428 3.284 -5.425 1.00 0.00 C ATOM 275 OH TYR A 86 -9.165 2.727 -6.445 1.00 0.00 O ATOM 0 H TYR A 86 -7.323 7.625 -3.475 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.543 6.492 -1.574 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.070 4.986 -2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.249 4.416 -1.346 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.809 5.334 -4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.255 3.336 -2.067 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.127 4.344 -6.748 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.572 2.342 -3.885 1.00 0.00 H new ATOM 0 HH TYR A 86 -9.870 2.160 -6.068 1.00 0.00 H new ATOM 285 N GLY A 87 -5.341 8.316 -0.882 1.00 0.00 N ATOM 286 CA GLY A 87 -4.495 8.944 0.116 1.00 0.00 C ATOM 287 C GLY A 87 -3.020 8.796 -0.199 1.00 0.00 C ATOM 288 O GLY A 87 -2.194 9.574 0.279 1.00 0.00 O ATOM 0 H GLY A 87 -5.693 8.946 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.744 10.003 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.701 8.504 1.092 1.00 0.00 H new ATOM 292 N VAL A 88 -2.686 7.792 -1.004 1.00 0.00 N ATOM 293 CA VAL A 88 -1.300 7.544 -1.382 1.00 0.00 C ATOM 294 C VAL A 88 -1.053 7.913 -2.840 1.00 0.00 C ATOM 295 O VAL A 88 -1.836 7.558 -3.723 1.00 0.00 O ATOM 296 CB VAL A 88 -0.914 6.069 -1.164 1.00 0.00 C ATOM 297 CG1 VAL A 88 -1.769 5.159 -2.034 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.565 5.857 -1.451 1.00 0.00 C ATOM 0 H VAL A 88 -3.357 7.137 -1.407 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.680 8.172 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.099 5.814 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.482 4.121 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.820 5.291 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.618 5.412 -3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.820 4.809 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.778 6.129 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.158 6.480 -0.782 1.00 0.00 H new ATOM 308 N HIS A 89 0.041 8.626 -3.088 1.00 0.00 N ATOM 309 CA HIS A 89 0.392 9.042 -4.441 1.00 0.00 C ATOM 310 C HIS A 89 0.874 7.854 -5.267 1.00 0.00 C ATOM 311 O HIS A 89 2.074 7.597 -5.361 1.00 0.00 O ATOM 312 CB HIS A 89 1.473 10.123 -4.401 1.00 0.00 C ATOM 313 CG HIS A 89 0.946 11.486 -4.073 1.00 0.00 C ATOM 314 ND1 HIS A 89 0.411 11.811 -2.844 1.00 0.00 N ATOM 315 CD2 HIS A 89 0.875 12.611 -4.822 1.00 0.00 C ATOM 316 CE1 HIS A 89 0.032 13.076 -2.852 1.00 0.00 C ATOM 317 NE2 HIS A 89 0.303 13.585 -4.041 1.00 0.00 N ATOM 0 H HIS A 89 0.700 8.928 -2.370 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.502 9.450 -4.912 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.225 9.846 -3.662 1.00 0.00 H new ATOM 0 HB3 HIS A 89 1.975 10.160 -5.368 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.207 12.722 -5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.422 13.605 -2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 89 0.118 14.545 -4.331 1.00 0.00 H new ATOM 325 N ALA A 90 -0.069 7.132 -5.863 1.00 0.00 N ATOM 326 CA ALA A 90 0.260 5.972 -6.682 1.00 0.00 C ATOM 327 C ALA A 90 0.051 6.268 -8.163 1.00 0.00 C ATOM 328 O ALA A 90 -0.461 7.326 -8.529 1.00 0.00 O ATOM 329 CB ALA A 90 -0.575 4.772 -6.259 1.00 0.00 C ATOM 0 H ALA A 90 -1.067 7.330 -5.794 1.00 0.00 H new ATOM 0 HA ALA A 90 1.314 5.739 -6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.318 3.913 -6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.372 4.538 -5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.633 5.004 -6.380 1.00 0.00 H new ATOM 335 N CYS A 91 0.452 5.327 -9.012 1.00 0.00 N ATOM 336 CA CYS A 91 0.309 5.487 -10.454 1.00 0.00 C ATOM 337 C CYS A 91 -0.924 4.748 -10.965 1.00 0.00 C ATOM 338 O CYS A 91 -1.391 3.796 -10.341 1.00 0.00 O ATOM 339 CB CYS A 91 1.559 4.973 -11.171 1.00 0.00 C ATOM 340 SG CYS A 91 1.762 3.163 -11.105 1.00 0.00 S ATOM 0 H CYS A 91 0.879 4.446 -8.726 1.00 0.00 H new ATOM 0 HA CYS A 91 0.187 6.549 -10.666 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.521 5.286 -12.214 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.438 5.443 -10.729 1.00 0.00 H new ATOM 0 HG CYS A 91 2.964 2.876 -10.702 1.00 0.00 H new ATOM 345 N GLU A 92 -1.446 5.194 -12.103 1.00 0.00 N ATOM 346 CA GLU A 92 -2.625 4.575 -12.696 1.00 0.00 C ATOM 347 C GLU A 92 -2.464 3.060 -12.774 1.00 0.00 C ATOM 348 O GLU A 92 -3.445 2.318 -12.754 1.00 0.00 O ATOM 349 CB GLU A 92 -2.879 5.144 -14.094 1.00 0.00 C ATOM 350 CG GLU A 92 -1.662 5.090 -15.003 1.00 0.00 C ATOM 351 CD GLU A 92 -1.964 5.564 -16.411 1.00 0.00 C ATOM 352 OE1 GLU A 92 -2.963 5.093 -16.994 1.00 0.00 O ATOM 353 OE2 GLU A 92 -1.201 6.405 -16.930 1.00 0.00 O ATOM 0 H GLU A 92 -1.071 5.981 -12.632 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.480 4.800 -12.059 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.695 4.591 -14.560 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.208 6.179 -14.002 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.869 5.706 -14.579 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.286 4.067 -15.041 1.00 0.00 H new ATOM 360 N GLY A 93 -1.216 2.607 -12.862 1.00 0.00 N ATOM 361 CA GLY A 93 -0.948 1.183 -12.941 1.00 0.00 C ATOM 362 C GLY A 93 -1.183 0.474 -11.622 1.00 0.00 C ATOM 363 O GLY A 93 -1.653 -0.664 -11.595 1.00 0.00 O ATOM 0 H GLY A 93 -0.387 3.201 -12.880 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.584 0.739 -13.707 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.084 1.028 -13.254 1.00 0.00 H new ATOM 367 N CYS A 94 -0.854 1.146 -10.524 1.00 0.00 N ATOM 368 CA CYS A 94 -1.029 0.574 -9.195 1.00 0.00 C ATOM 369 C CYS A 94 -2.447 0.811 -8.684 1.00 0.00 C ATOM 370 O CYS A 94 -3.021 -0.035 -7.997 1.00 0.00 O ATOM 371 CB CYS A 94 -0.016 1.176 -8.220 1.00 0.00 C ATOM 372 SG CYS A 94 1.696 0.611 -8.483 1.00 0.00 S ATOM 0 H CYS A 94 -0.464 2.089 -10.529 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.861 -0.501 -9.264 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -0.046 2.262 -8.306 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.317 0.929 -7.202 1.00 0.00 H new ATOM 0 HG CYS A 94 2.518 1.590 -8.244 1.00 0.00 H new ATOM 377 N LYS A 95 -3.007 1.967 -9.023 1.00 0.00 N ATOM 378 CA LYS A 95 -4.358 2.317 -8.600 1.00 0.00 C ATOM 379 C LYS A 95 -5.333 1.182 -8.900 1.00 0.00 C ATOM 380 O LYS A 95 -6.139 0.803 -8.052 1.00 0.00 O ATOM 381 CB LYS A 95 -4.818 3.597 -9.301 1.00 0.00 C ATOM 382 CG LYS A 95 -6.306 3.622 -9.607 1.00 0.00 C ATOM 383 CD LYS A 95 -6.721 4.936 -10.247 1.00 0.00 C ATOM 384 CE LYS A 95 -7.225 5.927 -9.209 1.00 0.00 C ATOM 385 NZ LYS A 95 -8.684 5.770 -8.955 1.00 0.00 N ATOM 0 H LYS A 95 -2.546 2.678 -9.590 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.343 2.485 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.570 4.454 -8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.262 3.711 -10.232 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.555 2.797 -10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.870 3.470 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.873 5.366 -10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.502 4.752 -10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.677 5.787 -8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.023 6.943 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.989 6.463 -8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.209 5.928 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.874 4.809 -8.607 1.00 0.00 H new ATOM 399 N GLY A 96 -5.252 0.643 -10.113 1.00 0.00 N ATOM 400 CA GLY A 96 -6.131 -0.443 -10.502 1.00 0.00 C ATOM 401 C GLY A 96 -5.943 -1.678 -9.643 1.00 0.00 C ATOM 402 O GLY A 96 -6.906 -2.211 -9.091 1.00 0.00 O ATOM 0 H GLY A 96 -4.593 0.940 -10.833 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.167 -0.110 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.947 -0.699 -11.546 1.00 0.00 H new ATOM 406 N PHE A 97 -4.700 -2.134 -9.530 1.00 0.00 N ATOM 407 CA PHE A 97 -4.389 -3.315 -8.734 1.00 0.00 C ATOM 408 C PHE A 97 -5.165 -3.305 -7.420 1.00 0.00 C ATOM 409 O PHE A 97 -6.044 -4.138 -7.198 1.00 0.00 O ATOM 410 CB PHE A 97 -2.887 -3.385 -8.452 1.00 0.00 C ATOM 411 CG PHE A 97 -2.526 -4.358 -7.366 1.00 0.00 C ATOM 412 CD1 PHE A 97 -2.669 -5.722 -7.563 1.00 0.00 C ATOM 413 CD2 PHE A 97 -2.042 -3.909 -6.147 1.00 0.00 C ATOM 414 CE1 PHE A 97 -2.338 -6.619 -6.565 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.709 -4.801 -5.146 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.856 -6.158 -5.356 1.00 0.00 C ATOM 0 H PHE A 97 -3.892 -1.704 -9.980 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.686 -4.195 -9.304 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.366 -3.665 -9.368 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.531 -2.393 -8.173 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.043 -6.089 -8.507 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.924 -2.849 -5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.456 -7.680 -6.731 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.334 -4.438 -4.201 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.594 -6.858 -4.576 1.00 0.00 H new ATOM 426 N PHE A 98 -4.832 -2.356 -6.551 1.00 0.00 N ATOM 427 CA PHE A 98 -5.496 -2.238 -5.257 1.00 0.00 C ATOM 428 C PHE A 98 -6.988 -2.532 -5.382 1.00 0.00 C ATOM 429 O PHE A 98 -7.474 -3.548 -4.886 1.00 0.00 O ATOM 430 CB PHE A 98 -5.288 -0.836 -4.680 1.00 0.00 C ATOM 431 CG PHE A 98 -5.879 -0.658 -3.311 1.00 0.00 C ATOM 432 CD1 PHE A 98 -5.323 -1.296 -2.214 1.00 0.00 C ATOM 433 CD2 PHE A 98 -6.990 0.148 -3.121 1.00 0.00 C ATOM 434 CE1 PHE A 98 -5.864 -1.133 -0.952 1.00 0.00 C ATOM 435 CE2 PHE A 98 -7.535 0.314 -1.862 1.00 0.00 C ATOM 436 CZ PHE A 98 -6.972 -0.328 -0.776 1.00 0.00 C ATOM 0 H PHE A 98 -4.107 -1.658 -6.719 1.00 0.00 H new ATOM 0 HA PHE A 98 -5.055 -2.971 -4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -4.220 -0.625 -4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -5.730 -0.104 -5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.457 -1.928 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -7.435 0.652 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.420 -1.635 -0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -8.401 0.945 -1.727 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.398 -0.201 0.208 1.00 0.00 H new ATOM 446 N ARG A 99 -7.708 -1.636 -6.049 1.00 0.00 N ATOM 447 CA ARG A 99 -9.145 -1.798 -6.238 1.00 0.00 C ATOM 448 C ARG A 99 -9.490 -3.249 -6.560 1.00 0.00 C ATOM 449 O ARG A 99 -10.164 -3.924 -5.782 1.00 0.00 O ATOM 450 CB ARG A 99 -9.639 -0.883 -7.360 1.00 0.00 C ATOM 451 CG ARG A 99 -11.108 -0.511 -7.239 1.00 0.00 C ATOM 452 CD ARG A 99 -11.645 0.066 -8.540 1.00 0.00 C ATOM 453 NE ARG A 99 -13.101 -0.015 -8.614 1.00 0.00 N ATOM 454 CZ ARG A 99 -13.917 0.752 -7.899 1.00 0.00 C ATOM 455 NH1 ARG A 99 -13.422 1.653 -7.062 1.00 0.00 N ATOM 456 NH2 ARG A 99 -15.232 0.619 -8.022 1.00 0.00 N ATOM 0 H ARG A 99 -7.320 -0.791 -6.468 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.643 -1.522 -5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.041 0.028 -7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.475 -1.376 -8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.687 -1.393 -6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.236 0.216 -6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.335 1.107 -8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.209 -0.471 -9.382 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.514 -0.698 -9.249 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.412 1.759 -6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.051 2.240 -6.515 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.617 -0.072 -8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.858 1.208 -7.473 1.00 0.00 H new ATOM 470 N ARG A 100 -9.024 -3.721 -7.712 1.00 0.00 N ATOM 471 CA ARG A 100 -9.286 -5.090 -8.138 1.00 0.00 C ATOM 472 C ARG A 100 -9.201 -6.052 -6.957 1.00 0.00 C ATOM 473 O ARG A 100 -10.123 -6.830 -6.708 1.00 0.00 O ATOM 474 CB ARG A 100 -8.291 -5.508 -9.222 1.00 0.00 C ATOM 475 CG ARG A 100 -8.382 -6.978 -9.599 1.00 0.00 C ATOM 476 CD ARG A 100 -7.738 -7.248 -10.950 1.00 0.00 C ATOM 477 NE ARG A 100 -7.642 -8.677 -11.235 1.00 0.00 N ATOM 478 CZ ARG A 100 -7.021 -9.174 -12.299 1.00 0.00 C ATOM 479 NH1 ARG A 100 -6.444 -8.362 -13.173 1.00 0.00 N ATOM 480 NH2 ARG A 100 -6.976 -10.486 -12.489 1.00 0.00 N ATOM 0 H ARG A 100 -8.463 -3.175 -8.367 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.296 -5.130 -8.546 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.461 -4.902 -10.112 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.280 -5.292 -8.878 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.893 -7.582 -8.835 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.428 -7.284 -9.626 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.319 -6.761 -11.733 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.742 -6.806 -10.971 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.075 -9.329 -10.581 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.476 -7.353 -13.030 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.968 -8.746 -13.989 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.418 -11.114 -11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.499 -10.867 -13.306 1.00 0.00 H new ATOM 494 N THR A 101 -8.088 -5.995 -6.232 1.00 0.00 N ATOM 495 CA THR A 101 -7.882 -6.862 -5.078 1.00 0.00 C ATOM 496 C THR A 101 -9.069 -6.797 -4.123 1.00 0.00 C ATOM 497 O THR A 101 -9.549 -7.826 -3.645 1.00 0.00 O ATOM 498 CB THR A 101 -6.601 -6.483 -4.313 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.490 -6.424 -5.215 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.311 -7.490 -3.210 1.00 0.00 C ATOM 0 H THR A 101 -7.315 -5.357 -6.424 1.00 0.00 H new ATOM 0 HA THR A 101 -7.781 -7.878 -5.460 1.00 0.00 H new ATOM 0 HB THR A 101 -6.753 -5.504 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.554 -5.612 -5.760 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.401 -7.201 -2.684 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.145 -7.511 -2.508 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.179 -8.480 -3.647 1.00 0.00 H new ATOM 508 N ILE A 102 -9.537 -5.584 -3.850 1.00 0.00 N ATOM 509 CA ILE A 102 -10.669 -5.387 -2.953 1.00 0.00 C ATOM 510 C ILE A 102 -11.952 -5.948 -3.556 1.00 0.00 C ATOM 511 O ILE A 102 -12.534 -6.897 -3.029 1.00 0.00 O ATOM 512 CB ILE A 102 -10.877 -3.896 -2.628 1.00 0.00 C ATOM 513 CG1 ILE A 102 -9.615 -3.310 -1.991 1.00 0.00 C ATOM 514 CG2 ILE A 102 -12.074 -3.717 -1.707 1.00 0.00 C ATOM 515 CD1 ILE A 102 -9.057 -4.154 -0.867 1.00 0.00 C ATOM 0 H ILE A 102 -9.150 -4.723 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.439 -5.922 -2.032 1.00 0.00 H new ATOM 0 HB ILE A 102 -11.075 -3.361 -3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.851 -3.192 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.839 -2.314 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -12.208 -2.658 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.969 -4.102 -2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.904 -4.262 -0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -8.164 -3.678 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.804 -4.251 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.800 -5.143 -1.247 1.00 0.00 H new ATOM 527 N ARG A 103 -12.387 -5.357 -4.663 1.00 0.00 N ATOM 528 CA ARG A 103 -13.602 -5.798 -5.339 1.00 0.00 C ATOM 529 C ARG A 103 -13.585 -7.308 -5.556 1.00 0.00 C ATOM 530 O ARG A 103 -14.634 -7.951 -5.598 1.00 0.00 O ATOM 531 CB ARG A 103 -13.753 -5.081 -6.681 1.00 0.00 C ATOM 532 CG ARG A 103 -12.579 -5.295 -7.622 1.00 0.00 C ATOM 533 CD ARG A 103 -13.015 -5.243 -9.078 1.00 0.00 C ATOM 534 NE ARG A 103 -12.960 -3.887 -9.618 1.00 0.00 N ATOM 535 CZ ARG A 103 -13.123 -3.601 -10.905 1.00 0.00 C ATOM 536 NH1 ARG A 103 -13.350 -4.571 -11.779 1.00 0.00 N ATOM 537 NH2 ARG A 103 -13.059 -2.342 -11.319 1.00 0.00 N ATOM 0 H ARG A 103 -11.917 -4.571 -5.112 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.452 -5.549 -4.704 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.665 -5.427 -7.167 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.873 -4.013 -6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.822 -4.532 -7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -12.116 -6.260 -7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.375 -5.896 -9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -14.031 -5.627 -9.166 1.00 0.00 H new ATOM 0 HE ARG A 103 -12.787 -3.117 -8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.400 -5.540 -11.464 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.475 -4.349 -12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -12.885 -1.593 -10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -13.184 -2.123 -12.307 1.00 0.00 H new ATOM 551 N MET A 104 -12.387 -7.868 -5.692 1.00 0.00 N ATOM 552 CA MET A 104 -12.235 -9.303 -5.904 1.00 0.00 C ATOM 553 C MET A 104 -11.957 -10.020 -4.587 1.00 0.00 C ATOM 554 O MET A 104 -12.074 -11.243 -4.497 1.00 0.00 O ATOM 555 CB MET A 104 -11.102 -9.576 -6.895 1.00 0.00 C ATOM 556 CG MET A 104 -11.381 -9.053 -8.295 1.00 0.00 C ATOM 557 SD MET A 104 -10.342 -9.830 -9.547 1.00 0.00 S ATOM 558 CE MET A 104 -11.549 -10.825 -10.419 1.00 0.00 C ATOM 0 H MET A 104 -11.509 -7.351 -5.659 1.00 0.00 H new ATOM 0 HA MET A 104 -13.169 -9.685 -6.316 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.185 -9.120 -6.521 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.925 -10.650 -6.946 1.00 0.00 H new ATOM 0 HG2 MET A 104 -12.429 -9.225 -8.541 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.222 -7.975 -8.314 1.00 0.00 H new ATOM 0 HE1 MET A 104 -11.058 -11.368 -11.226 1.00 0.00 H new ATOM 0 HE2 MET A 104 -12.003 -11.535 -9.728 1.00 0.00 H new ATOM 0 HE3 MET A 104 -12.322 -10.178 -10.834 1.00 0.00 H new ATOM 568 N LYS A 105 -11.588 -9.253 -3.567 1.00 0.00 N ATOM 569 CA LYS A 105 -11.294 -9.814 -2.253 1.00 0.00 C ATOM 570 C LYS A 105 -10.311 -10.975 -2.365 1.00 0.00 C ATOM 571 O LYS A 105 -10.475 -12.007 -1.713 1.00 0.00 O ATOM 572 CB LYS A 105 -12.583 -10.288 -1.578 1.00 0.00 C ATOM 573 CG LYS A 105 -13.363 -9.172 -0.905 1.00 0.00 C ATOM 574 CD LYS A 105 -12.729 -8.766 0.414 1.00 0.00 C ATOM 575 CE LYS A 105 -12.977 -9.806 1.496 1.00 0.00 C ATOM 576 NZ LYS A 105 -12.490 -9.350 2.827 1.00 0.00 N ATOM 0 H LYS A 105 -11.485 -8.240 -3.625 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.839 -9.032 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.219 -10.766 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.336 -11.047 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.410 -8.308 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.389 -9.497 -0.732 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.656 -8.631 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.133 -7.805 0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.044 -10.022 1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.478 -10.737 1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.678 -10.087 3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.467 -9.168 2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.985 -8.476 3.097 1.00 0.00 H new ATOM 590 N LEU A 106 -9.288 -10.799 -3.194 1.00 0.00 N ATOM 591 CA LEU A 106 -8.276 -11.832 -3.391 1.00 0.00 C ATOM 592 C LEU A 106 -7.401 -11.979 -2.150 1.00 0.00 C ATOM 593 O LEU A 106 -6.710 -11.043 -1.752 1.00 0.00 O ATOM 594 CB LEU A 106 -7.407 -11.498 -4.605 1.00 0.00 C ATOM 595 CG LEU A 106 -8.152 -11.272 -5.921 1.00 0.00 C ATOM 596 CD1 LEU A 106 -7.230 -10.646 -6.955 1.00 0.00 C ATOM 597 CD2 LEU A 106 -8.727 -12.582 -6.440 1.00 0.00 C ATOM 0 H LEU A 106 -9.137 -9.951 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 106 -8.787 -12.778 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.830 -10.601 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.693 -12.308 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.977 -10.584 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.777 -10.493 -7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.867 -9.687 -6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.384 -11.309 -7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.254 -12.402 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.918 -13.293 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.422 -12.991 -5.706 1.00 0.00 H new ATOM 609 N GLU A 107 -7.435 -13.163 -1.545 1.00 0.00 N ATOM 610 CA GLU A 107 -6.643 -13.433 -0.351 1.00 0.00 C ATOM 611 C GLU A 107 -5.290 -14.034 -0.719 1.00 0.00 C ATOM 612 O GLU A 107 -5.208 -14.950 -1.538 1.00 0.00 O ATOM 613 CB GLU A 107 -7.397 -14.380 0.584 1.00 0.00 C ATOM 614 CG GLU A 107 -7.041 -14.200 2.051 1.00 0.00 C ATOM 615 CD GLU A 107 -5.552 -14.325 2.309 1.00 0.00 C ATOM 616 OE1 GLU A 107 -5.001 -15.422 2.080 1.00 0.00 O ATOM 617 OE2 GLU A 107 -4.938 -13.326 2.739 1.00 0.00 O ATOM 0 H GLU A 107 -8.002 -13.949 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.472 -12.487 0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.468 -14.225 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.187 -15.409 0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.383 -13.221 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.573 -14.944 2.644 1.00 0.00 H new ATOM 624 N TYR A 108 -4.232 -13.511 -0.110 1.00 0.00 N ATOM 625 CA TYR A 108 -2.882 -13.993 -0.375 1.00 0.00 C ATOM 626 C TYR A 108 -2.242 -14.548 0.894 1.00 0.00 C ATOM 627 O TYR A 108 -2.793 -14.419 1.987 1.00 0.00 O ATOM 628 CB TYR A 108 -2.018 -12.867 -0.945 1.00 0.00 C ATOM 629 CG TYR A 108 -2.590 -12.240 -2.196 1.00 0.00 C ATOM 630 CD1 TYR A 108 -2.742 -12.981 -3.361 1.00 0.00 C ATOM 631 CD2 TYR A 108 -2.978 -10.906 -2.213 1.00 0.00 C ATOM 632 CE1 TYR A 108 -3.263 -12.411 -4.507 1.00 0.00 C ATOM 633 CE2 TYR A 108 -3.502 -10.328 -3.353 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.642 -11.085 -4.498 1.00 0.00 C ATOM 635 OH TYR A 108 -4.163 -10.514 -5.637 1.00 0.00 O ATOM 0 H TYR A 108 -4.283 -12.753 0.571 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.949 -14.797 -1.108 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.894 -12.095 -0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.025 -13.258 -1.166 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.448 -14.020 -3.371 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.868 -10.310 -1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.373 -13.001 -5.405 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.800 -9.290 -3.348 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.380 -9.574 -5.462 1.00 0.00 H new ATOM 645 N GLU A 109 -1.074 -15.164 0.740 1.00 0.00 N ATOM 646 CA GLU A 109 -0.358 -15.738 1.874 1.00 0.00 C ATOM 647 C GLU A 109 0.681 -14.759 2.413 1.00 0.00 C ATOM 648 O GLU A 109 1.271 -13.985 1.660 1.00 0.00 O ATOM 649 CB GLU A 109 0.321 -17.047 1.466 1.00 0.00 C ATOM 650 CG GLU A 109 1.220 -17.627 2.545 1.00 0.00 C ATOM 651 CD GLU A 109 2.241 -18.602 1.991 1.00 0.00 C ATOM 652 OE1 GLU A 109 2.802 -18.323 0.910 1.00 0.00 O ATOM 653 OE2 GLU A 109 2.479 -19.644 2.637 1.00 0.00 O ATOM 0 H GLU A 109 -0.604 -15.278 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.082 -15.943 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.445 -17.779 1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 109 0.912 -16.875 0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.738 -16.816 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.607 -18.133 3.290 1.00 0.00 H new ATOM 660 N LYS A 110 0.899 -14.800 3.723 1.00 0.00 N ATOM 661 CA LYS A 110 1.867 -13.918 4.366 1.00 0.00 C ATOM 662 C LYS A 110 3.264 -14.136 3.794 1.00 0.00 C ATOM 663 O LYS A 110 3.769 -15.258 3.773 1.00 0.00 O ATOM 664 CB LYS A 110 1.879 -14.157 5.878 1.00 0.00 C ATOM 665 CG LYS A 110 3.022 -13.459 6.594 1.00 0.00 C ATOM 666 CD LYS A 110 2.685 -12.010 6.902 1.00 0.00 C ATOM 667 CE LYS A 110 1.715 -11.899 8.068 1.00 0.00 C ATOM 668 NZ LYS A 110 1.332 -10.486 8.339 1.00 0.00 N ATOM 0 H LYS A 110 0.418 -15.435 4.361 1.00 0.00 H new ATOM 0 HA LYS A 110 1.570 -12.888 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.934 -13.814 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.943 -15.228 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.248 -13.986 7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.919 -13.502 5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.599 -11.464 7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.250 -11.541 6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.820 -12.483 7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.169 -12.330 8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.670 -10.453 9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.183 -9.934 8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.875 -10.082 7.496 1.00 0.00 H new ATOM 682 N CYS A 111 3.884 -13.055 3.334 1.00 0.00 N ATOM 683 CA CYS A 111 5.224 -13.126 2.763 1.00 0.00 C ATOM 684 C CYS A 111 6.232 -12.401 3.649 1.00 0.00 C ATOM 685 O CYS A 111 6.330 -11.174 3.618 1.00 0.00 O ATOM 686 CB CYS A 111 5.235 -12.521 1.358 1.00 0.00 C ATOM 687 SG CYS A 111 6.814 -12.727 0.473 1.00 0.00 S ATOM 0 H CYS A 111 3.480 -12.119 3.345 1.00 0.00 H new ATOM 0 HA CYS A 111 5.510 -14.176 2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.439 -12.979 0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 111 5.007 -11.458 1.430 1.00 0.00 H new ATOM 0 HG CYS A 111 6.966 -11.754 -0.375 1.00 0.00 H new ATOM 692 N GLU A 112 6.979 -13.168 4.437 1.00 0.00 N ATOM 693 CA GLU A 112 7.979 -12.597 5.332 1.00 0.00 C ATOM 694 C GLU A 112 9.131 -11.984 4.541 1.00 0.00 C ATOM 695 O GLU A 112 9.756 -11.020 4.981 1.00 0.00 O ATOM 696 CB GLU A 112 8.514 -13.669 6.285 1.00 0.00 C ATOM 697 CG GLU A 112 7.495 -14.134 7.311 1.00 0.00 C ATOM 698 CD GLU A 112 7.793 -15.524 7.840 1.00 0.00 C ATOM 699 OE1 GLU A 112 8.265 -16.370 7.054 1.00 0.00 O ATOM 700 OE2 GLU A 112 7.554 -15.764 9.043 1.00 0.00 O ATOM 0 H GLU A 112 6.911 -14.185 4.474 1.00 0.00 H new ATOM 0 HA GLU A 112 7.501 -11.809 5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.848 -14.527 5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.388 -13.277 6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 112 7.474 -13.429 8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 112 6.502 -14.125 6.861 1.00 0.00 H new ATOM 707 N ARG A 113 9.405 -12.552 3.371 1.00 0.00 N ATOM 708 CA ARG A 113 10.482 -12.063 2.518 1.00 0.00 C ATOM 709 C ARG A 113 10.364 -10.557 2.302 1.00 0.00 C ATOM 710 O ARG A 113 11.336 -9.893 1.942 1.00 0.00 O ATOM 711 CB ARG A 113 10.462 -12.785 1.170 1.00 0.00 C ATOM 712 CG ARG A 113 11.076 -14.175 1.215 1.00 0.00 C ATOM 713 CD ARG A 113 12.577 -14.129 0.971 1.00 0.00 C ATOM 714 NE ARG A 113 13.158 -15.466 0.883 1.00 0.00 N ATOM 715 CZ ARG A 113 14.388 -15.704 0.441 1.00 0.00 C ATOM 716 NH1 ARG A 113 15.162 -14.701 0.050 1.00 0.00 N ATOM 717 NH2 ARG A 113 14.846 -16.949 0.390 1.00 0.00 N ATOM 0 H ARG A 113 8.896 -13.351 2.992 1.00 0.00 H new ATOM 0 HA ARG A 113 11.429 -12.268 3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.431 -12.863 0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 113 10.999 -12.183 0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 113 10.878 -14.630 2.185 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.603 -14.807 0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.778 -13.585 0.048 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.059 -13.577 1.778 1.00 0.00 H new ATOM 0 HE ARG A 113 12.589 -16.260 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 113 14.814 -13.743 0.088 1.00 0.00 H new ATOM 0 HH12 ARG A 113 16.106 -14.887 -0.289 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.253 -17.723 0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 113 15.790 -17.131 0.051 1.00 0.00 H new ATOM 731 N SER A 114 9.166 -10.025 2.524 1.00 0.00 N ATOM 732 CA SER A 114 8.919 -8.598 2.350 1.00 0.00 C ATOM 733 C SER A 114 9.511 -8.101 1.035 1.00 0.00 C ATOM 734 O SER A 114 10.188 -7.074 0.994 1.00 0.00 O ATOM 735 CB SER A 114 9.512 -7.810 3.519 1.00 0.00 C ATOM 736 OG SER A 114 8.569 -7.666 4.568 1.00 0.00 O ATOM 0 H SER A 114 8.352 -10.560 2.825 1.00 0.00 H new ATOM 0 HA SER A 114 7.841 -8.441 2.325 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.400 -8.320 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.830 -6.826 3.174 1.00 0.00 H new ATOM 0 HG SER A 114 8.973 -7.160 5.304 1.00 0.00 H new ATOM 742 N CYS A 115 9.251 -8.839 -0.040 1.00 0.00 N ATOM 743 CA CYS A 115 9.757 -8.475 -1.358 1.00 0.00 C ATOM 744 C CYS A 115 9.739 -6.962 -1.549 1.00 0.00 C ATOM 745 O CYS A 115 8.930 -6.257 -0.944 1.00 0.00 O ATOM 746 CB CYS A 115 8.924 -9.149 -2.451 1.00 0.00 C ATOM 747 SG CYS A 115 8.607 -10.919 -2.160 1.00 0.00 S ATOM 0 H CYS A 115 8.693 -9.693 -0.024 1.00 0.00 H new ATOM 0 HA CYS A 115 10.788 -8.820 -1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.970 -8.630 -2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.437 -9.035 -3.406 1.00 0.00 H new ATOM 0 HG CYS A 115 7.328 -11.145 -2.214 1.00 0.00 H new ATOM 752 N LYS A 116 10.636 -6.467 -2.395 1.00 0.00 N ATOM 753 CA LYS A 116 10.724 -5.038 -2.669 1.00 0.00 C ATOM 754 C LYS A 116 10.019 -4.690 -3.976 1.00 0.00 C ATOM 755 O LYS A 116 10.561 -4.907 -5.061 1.00 0.00 O ATOM 756 CB LYS A 116 12.189 -4.599 -2.735 1.00 0.00 C ATOM 757 CG LYS A 116 12.918 -4.711 -1.407 1.00 0.00 C ATOM 758 CD LYS A 116 14.422 -4.586 -1.584 1.00 0.00 C ATOM 759 CE LYS A 116 14.874 -3.136 -1.497 1.00 0.00 C ATOM 760 NZ LYS A 116 14.823 -2.459 -2.823 1.00 0.00 N ATOM 0 H LYS A 116 11.313 -7.036 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 116 10.228 -4.507 -1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.708 -5.205 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 116 12.235 -3.566 -3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.565 -3.933 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.684 -5.669 -0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.930 -5.173 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 116 14.712 -5.001 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.240 -2.600 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 116 15.891 -3.095 -1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.638 -1.819 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 14.853 -3.173 -3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 13.942 -1.911 -2.900 1.00 0.00 H new ATOM 774 N ILE A 117 8.811 -4.148 -3.866 1.00 0.00 N ATOM 775 CA ILE A 117 8.035 -3.768 -5.039 1.00 0.00 C ATOM 776 C ILE A 117 8.705 -2.626 -5.796 1.00 0.00 C ATOM 777 O ILE A 117 8.740 -1.491 -5.321 1.00 0.00 O ATOM 778 CB ILE A 117 6.604 -3.345 -4.655 1.00 0.00 C ATOM 779 CG1 ILE A 117 5.922 -4.451 -3.847 1.00 0.00 C ATOM 780 CG2 ILE A 117 5.796 -3.017 -5.902 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.723 -5.733 -4.625 1.00 0.00 C ATOM 0 H ILE A 117 8.349 -3.962 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 117 7.985 -4.647 -5.682 1.00 0.00 H new ATOM 0 HB ILE A 117 6.659 -2.450 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.519 -4.663 -2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.953 -4.092 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.787 -2.720 -5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.275 -2.200 -6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.746 -3.896 -6.545 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.234 -6.472 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.100 -5.536 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.691 -6.116 -4.949 1.00 0.00 H new ATOM 793 N GLN A 118 9.234 -2.935 -6.975 1.00 0.00 N ATOM 794 CA GLN A 118 9.902 -1.934 -7.798 1.00 0.00 C ATOM 795 C GLN A 118 9.207 -1.786 -9.147 1.00 0.00 C ATOM 796 O GLN A 118 8.381 -2.617 -9.527 1.00 0.00 O ATOM 797 CB GLN A 118 11.370 -2.311 -8.006 1.00 0.00 C ATOM 798 CG GLN A 118 12.245 -1.141 -8.426 1.00 0.00 C ATOM 799 CD GLN A 118 13.707 -1.356 -8.091 1.00 0.00 C ATOM 800 OE1 GLN A 118 14.054 -2.248 -7.316 1.00 0.00 O ATOM 801 NE2 GLN A 118 14.575 -0.537 -8.674 1.00 0.00 N ATOM 0 H GLN A 118 9.213 -3.870 -7.382 1.00 0.00 H new ATOM 0 HA GLN A 118 9.850 -0.978 -7.276 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.762 -2.734 -7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.432 -3.091 -8.765 1.00 0.00 H new ATOM 0 HG2 GLN A 118 12.142 -0.982 -9.499 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.893 -0.234 -7.934 1.00 0.00 H new ATOM 0 HE21 GLN A 118 14.244 0.189 -9.310 1.00 0.00 H new ATOM 0 HE22 GLN A 118 15.573 -0.634 -8.486 1.00 0.00 H new ATOM 810 N LYS A 119 9.545 -0.723 -9.869 1.00 0.00 N ATOM 811 CA LYS A 119 8.955 -0.465 -11.177 1.00 0.00 C ATOM 812 C LYS A 119 9.439 -1.485 -12.202 1.00 0.00 C ATOM 813 O LYS A 119 8.802 -1.692 -13.235 1.00 0.00 O ATOM 814 CB LYS A 119 9.302 0.950 -11.646 1.00 0.00 C ATOM 815 CG LYS A 119 10.793 1.240 -11.653 1.00 0.00 C ATOM 816 CD LYS A 119 11.119 2.465 -12.490 1.00 0.00 C ATOM 817 CE LYS A 119 10.769 3.751 -11.757 1.00 0.00 C ATOM 818 NZ LYS A 119 10.590 4.893 -12.696 1.00 0.00 N ATOM 0 H LYS A 119 10.226 -0.025 -9.569 1.00 0.00 H new ATOM 0 HA LYS A 119 7.873 -0.555 -11.084 1.00 0.00 H new ATOM 0 HB2 LYS A 119 8.907 1.098 -12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 119 8.803 1.671 -10.998 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.139 1.394 -10.631 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.331 0.377 -12.045 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.180 2.465 -12.739 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.570 2.420 -13.431 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.853 3.605 -11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.557 3.988 -11.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.352 5.751 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.472 5.049 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.821 4.678 -13.362 1.00 0.00 H new ATOM 832 N LYS A 120 10.568 -2.121 -11.910 1.00 0.00 N ATOM 833 CA LYS A 120 11.136 -3.122 -12.805 1.00 0.00 C ATOM 834 C LYS A 120 10.394 -4.449 -12.679 1.00 0.00 C ATOM 835 O LYS A 120 10.101 -5.104 -13.678 1.00 0.00 O ATOM 836 CB LYS A 120 12.622 -3.326 -12.498 1.00 0.00 C ATOM 837 CG LYS A 120 13.331 -4.226 -13.495 1.00 0.00 C ATOM 838 CD LYS A 120 13.483 -3.550 -14.848 1.00 0.00 C ATOM 839 CE LYS A 120 14.671 -2.601 -14.866 1.00 0.00 C ATOM 840 NZ LYS A 120 14.594 -1.637 -15.998 1.00 0.00 N ATOM 0 H LYS A 120 11.108 -1.961 -11.060 1.00 0.00 H new ATOM 0 HA LYS A 120 11.028 -2.761 -13.828 1.00 0.00 H new ATOM 0 HB2 LYS A 120 13.118 -2.355 -12.481 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.723 -3.753 -11.500 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.314 -4.494 -13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.771 -5.154 -13.612 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.609 -4.307 -15.622 1.00 0.00 H new ATOM 0 HD3 LYS A 120 12.573 -3.000 -15.085 1.00 0.00 H new ATOM 0 HE2 LYS A 120 14.712 -2.053 -13.925 1.00 0.00 H new ATOM 0 HE3 LYS A 120 15.594 -3.176 -14.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 15.422 -1.008 -15.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.580 -2.158 -16.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.726 -1.070 -15.913 1.00 0.00 H new ATOM 854 N ASN A 121 10.091 -4.838 -11.445 1.00 0.00 N ATOM 855 CA ASN A 121 9.382 -6.086 -11.189 1.00 0.00 C ATOM 856 C ASN A 121 8.253 -5.874 -10.184 1.00 0.00 C ATOM 857 O ASN A 121 8.296 -6.394 -9.069 1.00 0.00 O ATOM 858 CB ASN A 121 10.350 -7.150 -10.668 1.00 0.00 C ATOM 859 CG ASN A 121 10.980 -6.760 -9.345 1.00 0.00 C ATOM 860 OD1 ASN A 121 11.737 -5.669 -9.348 1.00 0.00 O flip ATOM 861 ND2 ASN A 121 10.788 -7.433 -8.331 1.00 0.00 N flip ATOM 0 H ASN A 121 10.326 -4.307 -10.606 1.00 0.00 H new ATOM 0 HA ASN A 121 8.949 -6.428 -12.129 1.00 0.00 H new ATOM 0 HB2 ASN A 121 9.818 -8.094 -10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 121 11.135 -7.316 -11.406 1.00 0.00 H new ATOM 0 HD21 ASN A 121 10.199 -8.264 -8.375 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.218 -7.159 -7.448 1.00 0.00 H new ATOM 868 N ARG A 122 7.246 -5.108 -10.587 1.00 0.00 N ATOM 869 CA ARG A 122 6.106 -4.826 -9.723 1.00 0.00 C ATOM 870 C ARG A 122 5.166 -6.027 -9.654 1.00 0.00 C ATOM 871 O ARG A 122 4.398 -6.172 -8.705 1.00 0.00 O ATOM 872 CB ARG A 122 5.346 -3.598 -10.228 1.00 0.00 C ATOM 873 CG ARG A 122 4.672 -3.810 -11.573 1.00 0.00 C ATOM 874 CD ARG A 122 4.570 -2.510 -12.356 1.00 0.00 C ATOM 875 NE ARG A 122 3.912 -2.698 -13.646 1.00 0.00 N ATOM 876 CZ ARG A 122 3.849 -1.759 -14.583 1.00 0.00 C ATOM 877 NH1 ARG A 122 4.402 -0.572 -14.374 1.00 0.00 N ATOM 878 NH2 ARG A 122 3.232 -2.006 -15.732 1.00 0.00 N ATOM 0 H ARG A 122 7.196 -4.671 -11.507 1.00 0.00 H new ATOM 0 HA ARG A 122 6.484 -4.623 -8.721 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.591 -3.321 -9.492 1.00 0.00 H new ATOM 0 HB3 ARG A 122 6.038 -2.760 -10.306 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.235 -4.542 -12.152 1.00 0.00 H new ATOM 0 HG3 ARG A 122 3.675 -4.223 -11.421 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.016 -1.777 -11.770 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.569 -2.103 -12.514 1.00 0.00 H new ATOM 0 HE ARG A 122 3.477 -3.600 -13.838 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.877 -0.379 -13.492 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.352 0.148 -15.095 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.806 -2.918 -15.896 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.184 -1.284 -16.451 1.00 0.00 H new ATOM 892 N ASN A 123 5.234 -6.883 -10.668 1.00 0.00 N ATOM 893 CA ASN A 123 4.388 -8.070 -10.724 1.00 0.00 C ATOM 894 C ASN A 123 5.162 -9.310 -10.285 1.00 0.00 C ATOM 895 O ASN A 123 5.126 -10.345 -10.950 1.00 0.00 O ATOM 896 CB ASN A 123 3.845 -8.269 -12.140 1.00 0.00 C ATOM 897 CG ASN A 123 3.295 -6.986 -12.734 1.00 0.00 C ATOM 898 OD1 ASN A 123 2.165 -6.591 -12.448 1.00 0.00 O ATOM 899 ND2 ASN A 123 4.096 -6.329 -13.565 1.00 0.00 N ATOM 0 H ASN A 123 5.866 -6.777 -11.462 1.00 0.00 H new ATOM 0 HA ASN A 123 3.553 -7.923 -10.040 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.640 -8.651 -12.781 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.059 -9.024 -12.122 1.00 0.00 H new ATOM 0 HD21 ASN A 123 3.782 -5.459 -13.995 1.00 0.00 H new ATOM 0 HD22 ASN A 123 5.025 -6.694 -13.773 1.00 0.00 H new ATOM 906 N LYS A 124 5.860 -9.198 -9.161 1.00 0.00 N ATOM 907 CA LYS A 124 6.642 -10.309 -8.630 1.00 0.00 C ATOM 908 C LYS A 124 5.896 -11.007 -7.498 1.00 0.00 C ATOM 909 O LYS A 124 5.640 -12.210 -7.557 1.00 0.00 O ATOM 910 CB LYS A 124 8.000 -9.811 -8.131 1.00 0.00 C ATOM 911 CG LYS A 124 9.075 -10.884 -8.122 1.00 0.00 C ATOM 912 CD LYS A 124 9.789 -10.970 -9.460 1.00 0.00 C ATOM 913 CE LYS A 124 11.152 -11.632 -9.324 1.00 0.00 C ATOM 914 NZ LYS A 124 12.201 -10.660 -8.910 1.00 0.00 N ATOM 0 H LYS A 124 5.901 -8.348 -8.599 1.00 0.00 H new ATOM 0 HA LYS A 124 6.799 -11.028 -9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.329 -8.985 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 124 7.884 -9.416 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.799 -10.669 -7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 124 8.625 -11.849 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.178 -11.535 -10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 124 9.909 -9.969 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.093 -12.437 -8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.432 -12.086 -10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.115 -11.149 -8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.275 -9.905 -9.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.947 -10.246 -7.991 1.00 0.00 H new ATOM 928 N CYS A 125 5.548 -10.244 -6.467 1.00 0.00 N ATOM 929 CA CYS A 125 4.830 -10.789 -5.320 1.00 0.00 C ATOM 930 C CYS A 125 3.456 -10.141 -5.181 1.00 0.00 C ATOM 931 O CYS A 125 3.291 -8.950 -5.445 1.00 0.00 O ATOM 932 CB CYS A 125 5.638 -10.576 -4.038 1.00 0.00 C ATOM 933 SG CYS A 125 4.979 -11.460 -2.589 1.00 0.00 S ATOM 0 H CYS A 125 5.751 -9.247 -6.402 1.00 0.00 H new ATOM 0 HA CYS A 125 4.694 -11.858 -5.483 1.00 0.00 H new ATOM 0 HB2 CYS A 125 6.665 -10.898 -4.211 1.00 0.00 H new ATOM 0 HB3 CYS A 125 5.672 -9.510 -3.815 1.00 0.00 H new ATOM 0 HG CYS A 125 5.256 -10.791 -1.509 1.00 0.00 H new ATOM 938 N GLN A 126 2.473 -10.933 -4.765 1.00 0.00 N ATOM 939 CA GLN A 126 1.113 -10.437 -4.592 1.00 0.00 C ATOM 940 C GLN A 126 0.927 -9.833 -3.204 1.00 0.00 C ATOM 941 O GLN A 126 0.604 -8.653 -3.067 1.00 0.00 O ATOM 942 CB GLN A 126 0.104 -11.566 -4.810 1.00 0.00 C ATOM 943 CG GLN A 126 -0.292 -11.755 -6.265 1.00 0.00 C ATOM 944 CD GLN A 126 0.641 -12.693 -7.006 1.00 0.00 C ATOM 945 OE1 GLN A 126 1.850 -12.470 -7.061 1.00 0.00 O ATOM 946 NE2 GLN A 126 0.082 -13.751 -7.582 1.00 0.00 N ATOM 0 H GLN A 126 2.593 -11.921 -4.542 1.00 0.00 H new ATOM 0 HA GLN A 126 0.940 -9.657 -5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.526 -12.497 -4.433 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -0.791 -11.361 -4.222 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -1.308 -12.146 -6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -0.299 -10.786 -6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -0.925 -13.898 -7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 126 0.660 -14.417 -8.095 1.00 0.00 H new ATOM 955 N TYR A 127 1.133 -10.650 -2.177 1.00 0.00 N ATOM 956 CA TYR A 127 0.985 -10.197 -0.798 1.00 0.00 C ATOM 957 C TYR A 127 1.672 -8.852 -0.590 1.00 0.00 C ATOM 958 O TYR A 127 1.015 -7.824 -0.422 1.00 0.00 O ATOM 959 CB TYR A 127 1.564 -11.233 0.166 1.00 0.00 C ATOM 960 CG TYR A 127 1.210 -10.978 1.614 1.00 0.00 C ATOM 961 CD1 TYR A 127 -0.064 -11.252 2.096 1.00 0.00 C ATOM 962 CD2 TYR A 127 2.149 -10.465 2.499 1.00 0.00 C ATOM 963 CE1 TYR A 127 -0.393 -11.019 3.418 1.00 0.00 C ATOM 964 CE2 TYR A 127 1.830 -10.231 3.823 1.00 0.00 C ATOM 965 CZ TYR A 127 0.558 -10.509 4.277 1.00 0.00 C ATOM 966 OH TYR A 127 0.235 -10.278 5.594 1.00 0.00 O ATOM 0 H TYR A 127 1.403 -11.629 -2.273 1.00 0.00 H new ATOM 0 HA TYR A 127 -0.079 -10.076 -0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 127 1.205 -12.222 -0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.649 -11.246 0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -0.810 -11.654 1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.146 -10.245 2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -1.389 -11.235 3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 127 2.573 -9.833 4.498 1.00 0.00 H new ATOM 0 HH TYR A 127 -0.453 -10.915 5.879 1.00 0.00 H new ATOM 976 N CYS A 128 3.001 -8.865 -0.603 1.00 0.00 N ATOM 977 CA CYS A 128 3.781 -7.648 -0.417 1.00 0.00 C ATOM 978 C CYS A 128 3.136 -6.472 -1.146 1.00 0.00 C ATOM 979 O CYS A 128 2.907 -5.415 -0.558 1.00 0.00 O ATOM 980 CB CYS A 128 5.211 -7.851 -0.919 1.00 0.00 C ATOM 981 SG CYS A 128 6.196 -9.007 0.088 1.00 0.00 S ATOM 0 H CYS A 128 3.561 -9.707 -0.741 1.00 0.00 H new ATOM 0 HA CYS A 128 3.807 -7.422 0.649 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.176 -8.218 -1.945 1.00 0.00 H new ATOM 0 HB3 CYS A 128 5.717 -6.886 -0.943 1.00 0.00 H new ATOM 0 HG CYS A 128 6.909 -9.764 -0.693 1.00 0.00 H new ATOM 986 N ARG A 129 2.847 -6.665 -2.428 1.00 0.00 N ATOM 987 CA ARG A 129 2.230 -5.621 -3.238 1.00 0.00 C ATOM 988 C ARG A 129 1.042 -5.000 -2.510 1.00 0.00 C ATOM 989 O ARG A 129 0.933 -3.778 -2.408 1.00 0.00 O ATOM 990 CB ARG A 129 1.777 -6.191 -4.584 1.00 0.00 C ATOM 991 CG ARG A 129 1.671 -5.146 -5.682 1.00 0.00 C ATOM 992 CD ARG A 129 1.373 -5.783 -7.030 1.00 0.00 C ATOM 993 NE ARG A 129 1.164 -4.784 -8.074 1.00 0.00 N ATOM 994 CZ ARG A 129 0.730 -5.076 -9.295 1.00 0.00 C ATOM 995 NH1 ARG A 129 0.461 -6.332 -9.624 1.00 0.00 N ATOM 996 NH2 ARG A 129 0.565 -4.111 -10.191 1.00 0.00 N ATOM 0 H ARG A 129 3.030 -7.535 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 129 2.974 -4.844 -3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.479 -6.964 -4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 129 0.807 -6.673 -4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.884 -4.434 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.603 -4.584 -5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.199 -6.435 -7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.486 -6.410 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 129 1.362 -3.808 -7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.587 -7.077 -8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.128 -6.553 -10.562 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.772 -3.144 -9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.232 -4.337 -11.128 1.00 0.00 H new ATOM 1010 N PHE A 130 0.153 -5.850 -2.007 1.00 0.00 N ATOM 1011 CA PHE A 130 -1.029 -5.384 -1.290 1.00 0.00 C ATOM 1012 C PHE A 130 -0.644 -4.774 0.055 1.00 0.00 C ATOM 1013 O PHE A 130 -1.180 -3.741 0.455 1.00 0.00 O ATOM 1014 CB PHE A 130 -2.010 -6.539 -1.076 1.00 0.00 C ATOM 1015 CG PHE A 130 -3.376 -6.092 -0.642 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -4.243 -5.495 -1.543 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.794 -6.269 0.668 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -5.502 -5.083 -1.146 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -5.051 -5.859 1.070 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.906 -5.265 0.162 1.00 0.00 C ATOM 0 H PHE A 130 0.228 -6.864 -2.082 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.510 -4.615 -1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -2.099 -7.106 -2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.603 -7.217 -0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.932 -5.350 -2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -3.130 -6.733 1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -6.169 -4.619 -1.858 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.365 -6.003 2.093 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.889 -4.944 0.474 1.00 0.00 H new ATOM 1030 N GLN A 131 0.288 -5.421 0.747 1.00 0.00 N ATOM 1031 CA GLN A 131 0.744 -4.943 2.046 1.00 0.00 C ATOM 1032 C GLN A 131 1.257 -3.509 1.950 1.00 0.00 C ATOM 1033 O GLN A 131 0.745 -2.609 2.616 1.00 0.00 O ATOM 1034 CB GLN A 131 1.845 -5.855 2.592 1.00 0.00 C ATOM 1035 CG GLN A 131 1.324 -7.168 3.152 1.00 0.00 C ATOM 1036 CD GLN A 131 0.025 -7.003 3.917 1.00 0.00 C ATOM 1037 OE1 GLN A 131 -1.042 -7.393 3.443 1.00 0.00 O ATOM 1038 NE2 GLN A 131 0.110 -6.422 5.108 1.00 0.00 N ATOM 0 H GLN A 131 0.742 -6.278 0.430 1.00 0.00 H new ATOM 0 HA GLN A 131 -0.105 -4.961 2.729 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.558 -6.067 1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.389 -5.326 3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 131 1.172 -7.872 2.334 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.076 -7.601 3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 131 1.016 -6.114 5.462 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -0.730 -6.284 5.669 1.00 0.00 H new ATOM 1047 N LYS A 132 2.271 -3.304 1.117 1.00 0.00 N ATOM 1048 CA LYS A 132 2.854 -1.980 0.932 1.00 0.00 C ATOM 1049 C LYS A 132 1.768 -0.910 0.885 1.00 0.00 C ATOM 1050 O LYS A 132 1.852 0.104 1.579 1.00 0.00 O ATOM 1051 CB LYS A 132 3.681 -1.940 -0.355 1.00 0.00 C ATOM 1052 CG LYS A 132 4.349 -0.599 -0.607 1.00 0.00 C ATOM 1053 CD LYS A 132 5.442 -0.709 -1.657 1.00 0.00 C ATOM 1054 CE LYS A 132 6.360 0.503 -1.635 1.00 0.00 C ATOM 1055 NZ LYS A 132 7.482 0.332 -0.671 1.00 0.00 N ATOM 0 H LYS A 132 2.707 -4.038 0.559 1.00 0.00 H new ATOM 0 HA LYS A 132 3.505 -1.775 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.446 -2.715 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.035 -2.179 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.602 0.125 -0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.774 -0.222 0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 132 6.026 -1.612 -1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 132 4.991 -0.807 -2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 132 6.762 0.672 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 132 5.785 1.390 -1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.085 1.179 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 7.099 0.196 0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 8.047 -0.499 -0.939 1.00 0.00 H new ATOM 1069 N CYS A 133 0.750 -1.142 0.064 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.353 -0.197 -0.072 1.00 0.00 C ATOM 1071 C CYS A 133 -0.950 0.141 1.290 1.00 0.00 C ATOM 1072 O CYS A 133 -1.103 1.313 1.639 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.435 -0.773 -0.988 1.00 0.00 C ATOM 1074 SG CYS A 133 -1.034 -0.685 -2.749 1.00 0.00 S ATOM 0 H CYS A 133 0.665 -1.976 -0.517 1.00 0.00 H new ATOM 0 HA CYS A 133 0.038 0.719 -0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -1.609 -1.814 -0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.368 -0.238 -0.812 1.00 0.00 H new ATOM 0 HG CYS A 133 -2.007 -1.198 -3.442 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.289 -0.890 2.055 1.00 0.00 N ATOM 1081 CA LEU A 134 -1.871 -0.702 3.379 1.00 0.00 C ATOM 1082 C LEU A 134 -0.989 0.196 4.240 1.00 0.00 C ATOM 1083 O LEU A 134 -1.439 1.223 4.747 1.00 0.00 O ATOM 1084 CB LEU A 134 -2.068 -2.054 4.068 1.00 0.00 C ATOM 1085 CG LEU A 134 -2.965 -3.055 3.338 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -2.740 -4.461 3.872 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -4.428 -2.658 3.475 1.00 0.00 C ATOM 0 H LEU A 134 -1.171 -1.865 1.781 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.840 -0.218 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.089 -2.512 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -2.486 -1.877 5.059 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.704 -3.044 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -3.387 -5.160 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -1.698 -4.745 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -2.974 -4.488 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.052 -3.381 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -4.703 -2.640 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.578 -1.668 3.044 1.00 0.00 H new ATOM 1099 N ALA A 135 0.271 -0.197 4.398 1.00 0.00 N ATOM 1100 CA ALA A 135 1.218 0.574 5.194 1.00 0.00 C ATOM 1101 C ALA A 135 1.203 2.045 4.790 1.00 0.00 C ATOM 1102 O ALA A 135 1.337 2.932 5.634 1.00 0.00 O ATOM 1103 CB ALA A 135 2.619 -0.001 5.050 1.00 0.00 C ATOM 0 H ALA A 135 0.659 -1.045 3.985 1.00 0.00 H new ATOM 0 HA ALA A 135 0.916 0.508 6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.316 0.584 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.625 -1.035 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.921 0.035 4.003 1.00 0.00 H new ATOM 1109 N LEU A 136 1.041 2.297 3.496 1.00 0.00 N ATOM 1110 CA LEU A 136 1.009 3.661 2.980 1.00 0.00 C ATOM 1111 C LEU A 136 -0.247 4.391 3.446 1.00 0.00 C ATOM 1112 O LEU A 136 -0.269 5.618 3.531 1.00 0.00 O ATOM 1113 CB LEU A 136 1.070 3.651 1.452 1.00 0.00 C ATOM 1114 CG LEU A 136 2.399 3.212 0.836 1.00 0.00 C ATOM 1115 CD1 LEU A 136 2.245 2.987 -0.660 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.482 4.245 1.113 1.00 0.00 C ATOM 0 H LEU A 136 0.930 1.575 2.785 1.00 0.00 H new ATOM 0 HA LEU A 136 1.879 4.190 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.285 2.991 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.840 4.654 1.093 1.00 0.00 H new ATOM 0 HG LEU A 136 2.697 2.270 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 136 3.201 2.675 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.500 2.211 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.924 3.913 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.421 3.916 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.191 5.202 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.611 4.357 2.190 1.00 0.00 H new ATOM 1128 N GLY A 137 -1.291 3.626 3.750 1.00 0.00 N ATOM 1129 CA GLY A 137 -2.536 4.217 4.206 1.00 0.00 C ATOM 1130 C GLY A 137 -3.707 3.864 3.310 1.00 0.00 C ATOM 1131 O GLY A 137 -4.862 4.086 3.672 1.00 0.00 O ATOM 0 H GLY A 137 -1.297 2.608 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.745 3.880 5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -2.427 5.301 4.246 1.00 0.00 H new ATOM 1135 N MET A 138 -3.409 3.315 2.137 1.00 0.00 N ATOM 1136 CA MET A 138 -4.447 2.932 1.187 1.00 0.00 C ATOM 1137 C MET A 138 -5.696 2.443 1.914 1.00 0.00 C ATOM 1138 O MET A 138 -5.624 1.553 2.761 1.00 0.00 O ATOM 1139 CB MET A 138 -3.930 1.841 0.247 1.00 0.00 C ATOM 1140 CG MET A 138 -3.225 2.384 -0.985 1.00 0.00 C ATOM 1141 SD MET A 138 -4.319 2.511 -2.412 1.00 0.00 S ATOM 1142 CE MET A 138 -3.171 3.069 -3.669 1.00 0.00 C ATOM 0 H MET A 138 -2.458 3.125 1.822 1.00 0.00 H new ATOM 0 HA MET A 138 -4.711 3.812 0.601 1.00 0.00 H new ATOM 0 HB2 MET A 138 -3.242 1.197 0.795 1.00 0.00 H new ATOM 0 HB3 MET A 138 -4.767 1.218 -0.068 1.00 0.00 H new ATOM 0 HG2 MET A 138 -2.813 3.368 -0.759 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.384 1.736 -1.233 1.00 0.00 H new ATOM 0 HE1 MET A 138 -3.400 2.577 -4.615 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.261 4.149 -3.790 1.00 0.00 H new ATOM 0 HE3 MET A 138 -2.153 2.821 -3.368 1.00 0.00 H new ATOM 1152 N SER A 139 -6.839 3.032 1.578 1.00 0.00 N ATOM 1153 CA SER A 139 -8.103 2.659 2.202 1.00 0.00 C ATOM 1154 C SER A 139 -9.047 2.029 1.183 1.00 0.00 C ATOM 1155 O SER A 139 -9.278 2.583 0.107 1.00 0.00 O ATOM 1156 CB SER A 139 -8.764 3.885 2.837 1.00 0.00 C ATOM 1157 OG SER A 139 -9.236 4.780 1.846 1.00 0.00 O ATOM 0 H SER A 139 -6.916 3.769 0.877 1.00 0.00 H new ATOM 0 HA SER A 139 -7.893 1.924 2.979 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.593 3.568 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.048 4.395 3.481 1.00 0.00 H new ATOM 0 HG SER A 139 -9.655 5.554 2.277 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.592 0.867 1.529 1.00 0.00 N ATOM 1164 CA HIS A 140 -10.512 0.160 0.646 1.00 0.00 C ATOM 1165 C HIS A 140 -11.960 0.519 0.970 1.00 0.00 C ATOM 1166 O HIS A 140 -12.882 -0.227 0.642 1.00 0.00 O ATOM 1167 CB HIS A 140 -10.310 -1.350 0.766 1.00 0.00 C ATOM 1168 CG HIS A 140 -10.307 -1.843 2.180 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -11.127 -1.324 3.160 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -9.579 -2.816 2.777 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -10.902 -1.955 4.299 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -9.967 -2.865 4.093 1.00 0.00 N ATOM 0 H HIS A 140 -9.412 0.395 2.415 1.00 0.00 H new ATOM 0 HA HIS A 140 -10.300 0.466 -0.378 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -11.100 -1.859 0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -9.366 -1.621 0.293 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -8.832 -3.438 2.306 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -11.398 -1.760 5.238 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -9.594 -3.501 4.798 1.00 0.00 H new