USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 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 172 HIS : no HD1:sc= 0.692 K(o=0.45,f=-3.8!) USER MOD Set 1.2: A 181 CYS SG : rot -144:sc= -0.245 USER MOD Set 2.1: A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 141 MET CE :methyl 167:sc= -0.0709 (180deg=-0.137) USER MOD Set 3.1: A 127 HIS : no HD1:sc= -0.0225 K(o=-0.023,f=-0.7) USER MOD Set 3.2: A 131 GLN : amide:sc= 0 K(o=-0.023,f=-0.53) USER MOD Set 4.1: A 117 SER OG : rot 180:sc= 0.925 USER MOD Set 4.2: A 120 THR OG1 : rot 76:sc= 1.77 USER MOD Set 4.3: A 175 ASN : amide:sc= 1.57 K(o=4.3,f=1.9) USER MOD Single : A 109 LYS NZ :NH3+ 170:sc= 0.883 (180deg=0.817) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 126 LYS NZ :NH3+ -153:sc= 1.28 (180deg=1.23) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 168:sc= 0.784 (180deg=0.663) USER MOD Single : A 149 HIS : no HD1:sc= 0.99 K(o=0.99,f=-6.3!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 CYS SG : rot 170:sc= 0 USER MOD Single : A 170 HIS : no HD1:sc= 0.893 K(o=0.89,f=-3.1!) USER MOD Single : A 176 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 177 LYS NZ :NH3+ -178:sc= 2.25 (180deg=2.22) USER MOD Single : A 178 MET CE :methyl -179:sc= 0 (180deg=-0.00304) USER MOD Single : A 182 LYS NZ :NH3+ -149:sc= 1.25 (180deg=0.969) USER MOD Single : A 183 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -1.814 9.096 1.344 1.00 0.00 N ATOM 56 CA LYS A 109 -2.422 8.223 0.316 1.00 0.00 C ATOM 57 C LYS A 109 -1.696 6.858 0.172 1.00 0.00 C ATOM 58 O LYS A 109 -1.491 6.345 -0.933 1.00 0.00 O ATOM 59 CB LYS A 109 -2.543 8.997 -1.012 1.00 0.00 C ATOM 60 CG LYS A 109 -3.677 8.419 -1.877 1.00 0.00 C ATOM 61 CD LYS A 109 -3.482 8.643 -3.380 1.00 0.00 C ATOM 62 CE LYS A 109 -3.740 10.088 -3.822 1.00 0.00 C ATOM 63 NZ LYS A 109 -3.639 10.215 -5.302 1.00 0.00 N ATOM 0 HA LYS A 109 -3.427 7.955 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.735 10.050 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.600 8.944 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.758 7.349 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.621 8.870 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.464 8.365 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.151 7.979 -3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.730 10.402 -3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.019 10.753 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.980 11.153 -5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.647 10.101 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.219 9.479 -5.754 1.00 0.00 H new ATOM 77 N LYS A 110 -1.266 6.289 1.300 1.00 0.00 N ATOM 78 CA LYS A 110 -0.383 5.118 1.426 1.00 0.00 C ATOM 79 C LYS A 110 -0.712 4.348 2.711 1.00 0.00 C ATOM 80 O LYS A 110 -1.067 4.960 3.722 1.00 0.00 O ATOM 81 CB LYS A 110 1.081 5.614 1.399 1.00 0.00 C ATOM 82 CG LYS A 110 2.142 4.497 1.361 1.00 0.00 C ATOM 83 CD LYS A 110 3.584 5.039 1.384 1.00 0.00 C ATOM 84 CE LYS A 110 3.947 5.610 2.763 1.00 0.00 C ATOM 85 NZ LYS A 110 5.361 6.056 2.852 1.00 0.00 N ATOM 0 H LYS A 110 -1.541 6.655 2.212 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.532 4.425 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.217 6.254 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.256 6.232 2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.995 3.834 2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 110 1.999 3.897 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.279 4.240 1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.695 5.815 0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.291 6.452 2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.762 4.852 3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.547 6.431 3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.992 5.250 2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.535 6.800 2.146 1.00 0.00 H new ATOM 99 N ILE A 111 -0.558 3.025 2.692 1.00 0.00 N ATOM 100 CA ILE A 111 -0.758 2.146 3.857 1.00 0.00 C ATOM 101 C ILE A 111 0.487 1.310 4.162 1.00 0.00 C ATOM 102 O ILE A 111 1.276 0.973 3.279 1.00 0.00 O ATOM 103 CB ILE A 111 -1.989 1.213 3.689 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.723 0.071 2.685 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.245 2.017 3.332 1.00 0.00 C ATOM 106 CD1 ILE A 111 -2.910 -0.857 2.406 1.00 0.00 C ATOM 0 H ILE A 111 -0.285 2.517 1.851 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.947 2.809 4.701 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.170 0.735 4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.398 0.510 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.895 -0.531 3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.091 1.339 3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.456 2.733 4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.082 2.551 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.613 -1.622 1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.225 -1.333 3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.737 -0.277 1.997 1.00 0.00 H new ATOM 118 N PHE A 112 0.616 0.962 5.437 1.00 0.00 N ATOM 119 CA PHE A 112 1.500 -0.065 5.976 1.00 0.00 C ATOM 120 C PHE A 112 0.705 -1.379 5.912 1.00 0.00 C ATOM 121 O PHE A 112 -0.485 -1.390 6.235 1.00 0.00 O ATOM 122 CB PHE A 112 1.771 0.273 7.449 1.00 0.00 C ATOM 123 CG PHE A 112 2.772 -0.645 8.119 1.00 0.00 C ATOM 124 CD1 PHE A 112 2.358 -1.853 8.716 1.00 0.00 C ATOM 125 CD2 PHE A 112 4.129 -0.292 8.142 1.00 0.00 C ATOM 126 CE1 PHE A 112 3.303 -2.689 9.335 1.00 0.00 C ATOM 127 CE2 PHE A 112 5.071 -1.129 8.757 1.00 0.00 C ATOM 128 CZ PHE A 112 4.658 -2.331 9.354 1.00 0.00 C ATOM 0 H PHE A 112 0.071 1.419 6.169 1.00 0.00 H new ATOM 0 HA PHE A 112 2.441 -0.134 5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.134 1.299 7.515 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.831 0.232 7.999 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.316 -2.136 8.698 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.451 0.631 7.683 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.984 -3.611 9.798 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.114 -0.849 8.772 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.382 -2.978 9.826 1.00 0.00 H new ATOM 138 N VAL A 113 1.359 -2.489 5.567 1.00 0.00 N ATOM 139 CA VAL A 113 0.796 -3.848 5.594 1.00 0.00 C ATOM 140 C VAL A 113 1.726 -4.784 6.360 1.00 0.00 C ATOM 141 O VAL A 113 2.825 -5.072 5.889 1.00 0.00 O ATOM 142 CB VAL A 113 0.499 -4.383 4.179 1.00 0.00 C ATOM 143 CG1 VAL A 113 -0.244 -5.722 4.249 1.00 0.00 C ATOM 144 CG2 VAL A 113 -0.338 -3.393 3.364 1.00 0.00 C ATOM 0 H VAL A 113 2.328 -2.471 5.250 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.161 -3.804 6.114 1.00 0.00 H new ATOM 0 HB VAL A 113 1.461 -4.521 3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.443 -6.081 3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.369 -6.451 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.187 -5.588 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.527 -3.806 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.287 -3.216 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.203 -2.452 3.268 1.00 0.00 H new ATOM 154 N GLY A 114 1.305 -5.228 7.547 1.00 0.00 N ATOM 155 CA GLY A 114 2.117 -6.007 8.490 1.00 0.00 C ATOM 156 C GLY A 114 1.657 -7.452 8.678 1.00 0.00 C ATOM 157 O GLY A 114 0.464 -7.748 8.636 1.00 0.00 O ATOM 0 H GLY A 114 0.361 -5.051 7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.151 -6.010 8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.107 -5.507 9.458 1.00 0.00 H new ATOM 161 N GLY A 115 2.611 -8.349 8.927 1.00 0.00 N ATOM 162 CA GLY A 115 2.379 -9.782 9.130 1.00 0.00 C ATOM 163 C GLY A 115 2.434 -10.627 7.851 1.00 0.00 C ATOM 164 O GLY A 115 1.973 -11.769 7.862 1.00 0.00 O ATOM 0 H GLY A 115 3.596 -8.093 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.122 -10.161 9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.403 -9.916 9.596 1.00 0.00 H new ATOM 168 N LEU A 116 2.962 -10.089 6.748 1.00 0.00 N ATOM 169 CA LEU A 116 3.156 -10.804 5.480 1.00 0.00 C ATOM 170 C LEU A 116 4.139 -11.971 5.670 1.00 0.00 C ATOM 171 O LEU A 116 5.192 -11.800 6.287 1.00 0.00 O ATOM 172 CB LEU A 116 3.690 -9.819 4.419 1.00 0.00 C ATOM 173 CG LEU A 116 2.658 -8.768 3.966 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.360 -7.578 3.317 1.00 0.00 C ATOM 175 CD2 LEU A 116 1.702 -9.347 2.924 1.00 0.00 C ATOM 0 H LEU A 116 3.275 -9.119 6.710 1.00 0.00 H new ATOM 0 HA LEU A 116 2.203 -11.213 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.564 -9.306 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.024 -10.384 3.549 1.00 0.00 H new ATOM 0 HG LEU A 116 2.107 -8.460 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.617 -6.845 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.040 -7.121 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.925 -7.918 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.985 -8.583 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.269 -9.676 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.169 -10.196 3.351 1.00 0.00 H new ATOM 187 N SER A 117 3.828 -13.152 5.131 1.00 0.00 N ATOM 188 CA SER A 117 4.732 -14.310 5.212 1.00 0.00 C ATOM 189 C SER A 117 6.011 -14.076 4.397 1.00 0.00 C ATOM 190 O SER A 117 5.992 -13.389 3.372 1.00 0.00 O ATOM 191 CB SER A 117 4.030 -15.595 4.758 1.00 0.00 C ATOM 192 OG SER A 117 3.816 -15.607 3.357 1.00 0.00 O ATOM 0 H SER A 117 2.957 -13.335 4.633 1.00 0.00 H new ATOM 0 HA SER A 117 5.015 -14.430 6.258 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.632 -16.458 5.042 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.074 -15.689 5.273 1.00 0.00 H new ATOM 0 HG SER A 117 3.368 -16.440 3.102 1.00 0.00 H new ATOM 198 N VAL A 118 7.128 -14.684 4.806 1.00 0.00 N ATOM 199 CA VAL A 118 8.394 -14.633 4.047 1.00 0.00 C ATOM 200 C VAL A 118 8.315 -15.239 2.632 1.00 0.00 C ATOM 201 O VAL A 118 9.107 -14.895 1.756 1.00 0.00 O ATOM 202 CB VAL A 118 9.561 -15.169 4.902 1.00 0.00 C ATOM 203 CG1 VAL A 118 9.659 -16.700 4.882 1.00 0.00 C ATOM 204 CG2 VAL A 118 10.909 -14.577 4.476 1.00 0.00 C ATOM 0 H VAL A 118 7.187 -15.225 5.669 1.00 0.00 H new ATOM 0 HA VAL A 118 8.600 -13.582 3.844 1.00 0.00 H new ATOM 0 HB VAL A 118 9.336 -14.851 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.498 -17.019 5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 118 8.736 -17.129 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 118 9.813 -17.041 3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 118 11.700 -14.983 5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 118 11.106 -14.833 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 118 10.881 -13.493 4.584 1.00 0.00 H new ATOM 214 N ASN A 119 7.318 -16.101 2.390 1.00 0.00 N ATOM 215 CA ASN A 119 6.984 -16.649 1.071 1.00 0.00 C ATOM 216 C ASN A 119 6.176 -15.677 0.182 1.00 0.00 C ATOM 217 O ASN A 119 6.269 -15.753 -1.046 1.00 0.00 O ATOM 218 CB ASN A 119 6.221 -17.972 1.268 1.00 0.00 C ATOM 219 CG ASN A 119 7.058 -19.059 1.929 1.00 0.00 C ATOM 220 OD1 ASN A 119 8.240 -19.229 1.668 1.00 0.00 O ATOM 221 ND2 ASN A 119 6.460 -19.867 2.778 1.00 0.00 N ATOM 0 H ASN A 119 6.705 -16.445 3.129 1.00 0.00 H new ATOM 0 HA ASN A 119 7.919 -16.819 0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.336 -17.785 1.876 1.00 0.00 H new ATOM 0 HB3 ASN A 119 5.873 -18.330 0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 119 6.982 -20.628 3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 119 5.474 -19.733 3.002 1.00 0.00 H new ATOM 228 N THR A 120 5.398 -14.761 0.772 1.00 0.00 N ATOM 229 CA THR A 120 4.668 -13.704 0.048 1.00 0.00 C ATOM 230 C THR A 120 5.646 -12.682 -0.535 1.00 0.00 C ATOM 231 O THR A 120 6.606 -12.283 0.129 1.00 0.00 O ATOM 232 CB THR A 120 3.654 -12.997 0.968 1.00 0.00 C ATOM 233 OG1 THR A 120 2.688 -13.931 1.400 1.00 0.00 O ATOM 234 CG2 THR A 120 2.893 -11.855 0.292 1.00 0.00 C ATOM 0 H THR A 120 5.253 -14.730 1.781 1.00 0.00 H new ATOM 0 HA THR A 120 4.119 -14.176 -0.767 1.00 0.00 H new ATOM 0 HB THR A 120 4.239 -12.579 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.076 -14.506 2.092 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.199 -11.408 1.004 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.600 -11.099 -0.049 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.337 -12.243 -0.561 1.00 0.00 H new ATOM 242 N THR A 121 5.388 -12.238 -1.768 1.00 0.00 N ATOM 243 CA THR A 121 6.177 -11.226 -2.489 1.00 0.00 C ATOM 244 C THR A 121 5.420 -9.947 -2.856 1.00 0.00 C ATOM 245 O THR A 121 4.190 -9.895 -2.802 1.00 0.00 O ATOM 246 CB THR A 121 6.969 -11.850 -3.650 1.00 0.00 C ATOM 247 OG1 THR A 121 8.058 -11.008 -3.967 1.00 0.00 O ATOM 248 CG2 THR A 121 6.152 -12.036 -4.929 1.00 0.00 C ATOM 0 H THR A 121 4.598 -12.583 -2.313 1.00 0.00 H new ATOM 0 HA THR A 121 6.910 -10.859 -1.771 1.00 0.00 H new ATOM 0 HB THR A 121 7.281 -12.837 -3.307 1.00 0.00 H new ATOM 0 HG1 THR A 121 8.570 -11.399 -4.706 1.00 0.00 H new ATOM 0 HG21 THR A 121 6.780 -12.481 -5.701 1.00 0.00 H new ATOM 0 HG22 THR A 121 5.305 -12.692 -4.728 1.00 0.00 H new ATOM 0 HG23 THR A 121 5.787 -11.068 -5.272 1.00 0.00 H new ATOM 256 N VAL A 122 6.155 -8.897 -3.231 1.00 0.00 N ATOM 257 CA VAL A 122 5.616 -7.556 -3.521 1.00 0.00 C ATOM 258 C VAL A 122 4.532 -7.520 -4.605 1.00 0.00 C ATOM 259 O VAL A 122 3.565 -6.765 -4.499 1.00 0.00 O ATOM 260 CB VAL A 122 6.775 -6.581 -3.807 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.376 -6.723 -5.211 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.330 -5.133 -3.611 1.00 0.00 C ATOM 0 H VAL A 122 7.167 -8.952 -3.346 1.00 0.00 H new ATOM 0 HA VAL A 122 5.087 -7.229 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 122 7.552 -6.847 -3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.185 -6.003 -5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.766 -7.733 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.605 -6.534 -5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.165 -4.464 -3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.508 -4.910 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 122 5.998 -4.990 -2.583 1.00 0.00 H new ATOM 272 N GLU A 123 4.646 -8.380 -5.617 1.00 0.00 N ATOM 273 CA GLU A 123 3.656 -8.501 -6.694 1.00 0.00 C ATOM 274 C GLU A 123 2.338 -9.138 -6.218 1.00 0.00 C ATOM 275 O GLU A 123 1.273 -8.788 -6.728 1.00 0.00 O ATOM 276 CB GLU A 123 4.239 -9.328 -7.854 1.00 0.00 C ATOM 277 CG GLU A 123 5.503 -8.730 -8.502 1.00 0.00 C ATOM 278 CD GLU A 123 5.289 -7.385 -9.234 1.00 0.00 C ATOM 279 OE1 GLU A 123 4.130 -6.964 -9.469 1.00 0.00 O ATOM 280 OE2 GLU A 123 6.303 -6.749 -9.611 1.00 0.00 O ATOM 0 H GLU A 123 5.435 -9.019 -5.716 1.00 0.00 H new ATOM 0 HA GLU A 123 3.427 -7.490 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.474 -10.327 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.473 -9.442 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 123 6.258 -8.589 -7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 123 5.906 -9.453 -9.212 1.00 0.00 H new ATOM 287 N ASP A 124 2.379 -10.023 -5.211 1.00 0.00 N ATOM 288 CA ASP A 124 1.169 -10.583 -4.588 1.00 0.00 C ATOM 289 C ASP A 124 0.436 -9.458 -3.848 1.00 0.00 C ATOM 290 O ASP A 124 -0.763 -9.272 -4.028 1.00 0.00 O ATOM 291 CB ASP A 124 1.501 -11.683 -3.560 1.00 0.00 C ATOM 292 CG ASP A 124 2.407 -12.823 -4.041 1.00 0.00 C ATOM 293 OD1 ASP A 124 3.063 -13.434 -3.163 1.00 0.00 O ATOM 294 OD2 ASP A 124 2.438 -13.141 -5.254 1.00 0.00 O ATOM 0 H ASP A 124 3.248 -10.370 -4.806 1.00 0.00 H new ATOM 0 HA ASP A 124 0.559 -11.020 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 124 1.975 -11.212 -2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 124 0.564 -12.117 -3.211 1.00 0.00 H new ATOM 299 N VAL A 125 1.164 -8.663 -3.055 1.00 0.00 N ATOM 300 CA VAL A 125 0.609 -7.528 -2.302 1.00 0.00 C ATOM 301 C VAL A 125 -0.013 -6.510 -3.264 1.00 0.00 C ATOM 302 O VAL A 125 -1.155 -6.093 -3.060 1.00 0.00 O ATOM 303 CB VAL A 125 1.711 -6.899 -1.427 1.00 0.00 C ATOM 304 CG1 VAL A 125 1.258 -5.627 -0.710 1.00 0.00 C ATOM 305 CG2 VAL A 125 2.166 -7.902 -0.361 1.00 0.00 C ATOM 0 H VAL A 125 2.166 -8.790 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 125 -0.185 -7.876 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 125 2.523 -6.637 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.080 -5.234 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.957 -4.882 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.413 -5.857 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.945 -7.451 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.319 -8.174 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.559 -8.796 -0.846 1.00 0.00 H new ATOM 315 N LYS A 126 0.680 -6.168 -4.359 1.00 0.00 N ATOM 316 CA LYS A 126 0.160 -5.278 -5.406 1.00 0.00 C ATOM 317 C LYS A 126 -1.135 -5.821 -6.030 1.00 0.00 C ATOM 318 O LYS A 126 -2.130 -5.098 -6.080 1.00 0.00 O ATOM 319 CB LYS A 126 1.274 -5.017 -6.434 1.00 0.00 C ATOM 320 CG LYS A 126 0.857 -4.064 -7.566 1.00 0.00 C ATOM 321 CD LYS A 126 2.086 -3.665 -8.399 1.00 0.00 C ATOM 322 CE LYS A 126 1.787 -2.612 -9.476 1.00 0.00 C ATOM 323 NZ LYS A 126 0.863 -3.110 -10.525 1.00 0.00 N ATOM 0 H LYS A 126 1.625 -6.504 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.125 -4.322 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.140 -4.600 -5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.587 -5.967 -6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.116 -4.546 -8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.386 -3.174 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 126 2.857 -3.280 -7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.494 -4.555 -8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 126 1.353 -1.730 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.722 -2.298 -9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.038 -2.598 -11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.022 -4.127 -10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.120 -2.954 -10.224 1.00 0.00 H new ATOM 337 N HIS A 127 -1.169 -7.098 -6.428 1.00 0.00 N ATOM 338 CA HIS A 127 -2.366 -7.759 -6.965 1.00 0.00 C ATOM 339 C HIS A 127 -3.544 -7.760 -5.981 1.00 0.00 C ATOM 340 O HIS A 127 -4.639 -7.322 -6.339 1.00 0.00 O ATOM 341 CB HIS A 127 -1.997 -9.191 -7.372 1.00 0.00 C ATOM 342 CG HIS A 127 -3.094 -9.895 -8.126 1.00 0.00 C ATOM 343 ND1 HIS A 127 -4.271 -10.426 -7.586 1.00 0.00 N ATOM 344 CD2 HIS A 127 -3.026 -10.219 -9.446 1.00 0.00 C ATOM 345 CE1 HIS A 127 -4.899 -11.033 -8.610 1.00 0.00 C ATOM 346 NE2 HIS A 127 -4.175 -10.922 -9.738 1.00 0.00 N ATOM 0 H HIS A 127 -0.355 -7.711 -6.386 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.703 -7.192 -7.833 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -1.099 -9.166 -7.989 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -1.754 -9.765 -6.478 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -2.228 -9.973 -10.131 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -5.851 -11.538 -8.536 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -4.432 -11.294 -10.652 1.00 0.00 H new ATOM 354 N TYR A 128 -3.325 -8.184 -4.733 1.00 0.00 N ATOM 355 CA TYR A 128 -4.335 -8.179 -3.678 1.00 0.00 C ATOM 356 C TYR A 128 -4.944 -6.819 -3.301 1.00 0.00 C ATOM 357 O TYR A 128 -6.132 -6.754 -2.976 1.00 0.00 O ATOM 358 CB TYR A 128 -3.883 -9.008 -2.467 1.00 0.00 C ATOM 359 CG TYR A 128 -4.137 -10.508 -2.564 1.00 0.00 C ATOM 360 CD1 TYR A 128 -5.236 -11.071 -1.886 1.00 0.00 C ATOM 361 CD2 TYR A 128 -3.265 -11.353 -3.280 1.00 0.00 C ATOM 362 CE1 TYR A 128 -5.441 -12.465 -1.890 1.00 0.00 C ATOM 363 CE2 TYR A 128 -3.458 -12.748 -3.283 1.00 0.00 C ATOM 364 CZ TYR A 128 -4.544 -13.310 -2.577 1.00 0.00 C ATOM 365 OH TYR A 128 -4.712 -14.660 -2.529 1.00 0.00 O ATOM 0 H TYR A 128 -2.423 -8.547 -4.425 1.00 0.00 H new ATOM 0 HA TYR A 128 -5.193 -8.676 -4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.815 -8.847 -2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -4.390 -8.628 -1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -5.927 -10.429 -1.359 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -2.441 -10.926 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -6.286 -12.887 -1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -2.776 -13.387 -3.825 1.00 0.00 H new ATOM 0 HH TYR A 128 -4.010 -15.096 -3.056 1.00 0.00 H new ATOM 375 N PHE A 129 -4.176 -5.728 -3.404 1.00 0.00 N ATOM 376 CA PHE A 129 -4.682 -4.366 -3.188 1.00 0.00 C ATOM 377 C PHE A 129 -5.340 -3.650 -4.375 1.00 0.00 C ATOM 378 O PHE A 129 -6.221 -2.810 -4.185 1.00 0.00 O ATOM 379 CB PHE A 129 -3.694 -3.521 -2.376 1.00 0.00 C ATOM 380 CG PHE A 129 -3.615 -3.974 -0.929 1.00 0.00 C ATOM 381 CD1 PHE A 129 -4.746 -3.915 -0.090 1.00 0.00 C ATOM 382 CD2 PHE A 129 -2.435 -4.578 -0.460 1.00 0.00 C ATOM 383 CE1 PHE A 129 -4.712 -4.515 1.182 1.00 0.00 C ATOM 384 CE2 PHE A 129 -2.397 -5.163 0.816 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.541 -5.149 1.628 1.00 0.00 C ATOM 0 H PHE A 129 -3.184 -5.764 -3.640 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.568 -4.509 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.705 -3.583 -2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -3.996 -2.474 -2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -5.640 -3.409 -0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -1.554 -4.592 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -5.586 -4.488 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.487 -5.624 1.172 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.521 -5.626 2.597 1.00 0.00 H new ATOM 395 N GLU A 130 -5.000 -4.042 -5.607 1.00 0.00 N ATOM 396 CA GLU A 130 -5.704 -3.604 -6.825 1.00 0.00 C ATOM 397 C GLU A 130 -7.170 -4.072 -6.888 1.00 0.00 C ATOM 398 O GLU A 130 -7.980 -3.462 -7.586 1.00 0.00 O ATOM 399 CB GLU A 130 -4.948 -4.086 -8.076 1.00 0.00 C ATOM 400 CG GLU A 130 -3.697 -3.241 -8.351 1.00 0.00 C ATOM 401 CD GLU A 130 -2.795 -3.803 -9.466 1.00 0.00 C ATOM 402 OE1 GLU A 130 -1.782 -3.137 -9.788 1.00 0.00 O ATOM 403 OE2 GLU A 130 -3.071 -4.886 -10.039 1.00 0.00 O ATOM 0 H GLU A 130 -4.223 -4.677 -5.793 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.724 -2.515 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.660 -5.129 -7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.612 -4.044 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.005 -2.231 -8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.115 -3.162 -7.433 1.00 0.00 H new ATOM 410 N GLN A 131 -7.541 -5.108 -6.129 1.00 0.00 N ATOM 411 CA GLN A 131 -8.920 -5.616 -6.044 1.00 0.00 C ATOM 412 C GLN A 131 -9.886 -4.565 -5.466 1.00 0.00 C ATOM 413 O GLN A 131 -11.042 -4.474 -5.887 1.00 0.00 O ATOM 414 CB GLN A 131 -8.954 -6.897 -5.191 1.00 0.00 C ATOM 415 CG GLN A 131 -7.903 -7.907 -5.678 1.00 0.00 C ATOM 416 CD GLN A 131 -8.101 -9.350 -5.215 1.00 0.00 C ATOM 417 OE1 GLN A 131 -9.071 -9.723 -4.564 1.00 0.00 O ATOM 418 NE2 GLN A 131 -7.173 -10.228 -5.534 1.00 0.00 N ATOM 0 H GLN A 131 -6.884 -5.627 -5.546 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.254 -5.843 -7.056 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -8.769 -6.648 -4.146 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -9.946 -7.346 -5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -7.892 -7.894 -6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -6.921 -7.570 -5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -6.359 -9.936 -6.075 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -7.268 -11.200 -5.240 1.00 0.00 H new ATOM 427 N PHE A 132 -9.396 -3.750 -4.527 1.00 0.00 N ATOM 428 CA PHE A 132 -10.145 -2.641 -3.917 1.00 0.00 C ATOM 429 C PHE A 132 -10.341 -1.375 -4.767 1.00 0.00 C ATOM 430 O PHE A 132 -11.303 -0.632 -4.558 1.00 0.00 O ATOM 431 CB PHE A 132 -9.562 -2.314 -2.537 1.00 0.00 C ATOM 432 CG PHE A 132 -9.754 -3.448 -1.557 1.00 0.00 C ATOM 433 CD1 PHE A 132 -11.035 -3.772 -1.073 1.00 0.00 C ATOM 434 CD2 PHE A 132 -8.647 -4.237 -1.200 1.00 0.00 C ATOM 435 CE1 PHE A 132 -11.206 -4.895 -0.245 1.00 0.00 C ATOM 436 CE2 PHE A 132 -8.816 -5.341 -0.354 1.00 0.00 C ATOM 437 CZ PHE A 132 -10.096 -5.676 0.122 1.00 0.00 C ATOM 0 H PHE A 132 -8.449 -3.842 -4.160 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.163 -3.019 -3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.499 -2.096 -2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.037 -1.414 -2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -11.884 -3.160 -1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.665 -3.992 -1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -12.192 -5.158 0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -7.961 -5.936 -0.067 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.226 -6.531 0.768 1.00 0.00 H new ATOM 447 N GLY A 133 -9.439 -1.129 -5.723 1.00 0.00 N ATOM 448 CA GLY A 133 -9.463 0.037 -6.615 1.00 0.00 C ATOM 449 C GLY A 133 -8.289 0.038 -7.597 1.00 0.00 C ATOM 450 O GLY A 133 -8.362 -0.581 -8.660 1.00 0.00 O ATOM 0 H GLY A 133 -8.651 -1.751 -5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -10.400 0.047 -7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -9.436 0.949 -6.019 1.00 0.00 H new ATOM 454 N LYS A 134 -7.200 0.725 -7.230 1.00 0.00 N ATOM 455 CA LYS A 134 -5.897 0.679 -7.919 1.00 0.00 C ATOM 456 C LYS A 134 -4.732 1.037 -6.984 1.00 0.00 C ATOM 457 O LYS A 134 -4.791 2.026 -6.252 1.00 0.00 O ATOM 458 CB LYS A 134 -5.919 1.572 -9.182 1.00 0.00 C ATOM 459 CG LYS A 134 -4.515 1.761 -9.782 1.00 0.00 C ATOM 460 CD LYS A 134 -4.504 2.487 -11.132 1.00 0.00 C ATOM 461 CE LYS A 134 -3.099 3.011 -11.480 1.00 0.00 C ATOM 462 NZ LYS A 134 -2.049 1.955 -11.424 1.00 0.00 N ATOM 0 H LYS A 134 -7.197 1.348 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.727 -0.350 -8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -6.575 1.126 -9.929 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -6.339 2.546 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -3.902 2.321 -9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -4.049 0.783 -9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -4.844 1.808 -11.914 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -5.207 3.319 -11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -3.117 3.444 -12.480 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -2.836 3.813 -10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -1.174 2.312 -11.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -1.864 1.701 -10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.375 1.114 -11.942 1.00 0.00 H new ATOM 476 N VAL A 135 -3.655 0.257 -7.080 1.00 0.00 N ATOM 477 CA VAL A 135 -2.344 0.528 -6.469 1.00 0.00 C ATOM 478 C VAL A 135 -1.517 1.390 -7.432 1.00 0.00 C ATOM 479 O VAL A 135 -1.489 1.151 -8.643 1.00 0.00 O ATOM 480 CB VAL A 135 -1.625 -0.800 -6.150 1.00 0.00 C ATOM 481 CG1 VAL A 135 -0.168 -0.631 -5.702 1.00 0.00 C ATOM 482 CG2 VAL A 135 -2.379 -1.542 -5.041 1.00 0.00 C ATOM 0 H VAL A 135 -3.668 -0.617 -7.606 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.472 1.069 -5.532 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.616 -1.362 -7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.266 -1.610 -5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.401 -0.140 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.133 -0.023 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -1.869 -2.479 -4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -2.409 -0.923 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -3.396 -1.752 -5.371 1.00 0.00 H new ATOM 492 N ASP A 136 -0.835 2.394 -6.891 1.00 0.00 N ATOM 493 CA ASP A 136 0.177 3.194 -7.586 1.00 0.00 C ATOM 494 C ASP A 136 1.573 2.538 -7.582 1.00 0.00 C ATOM 495 O ASP A 136 2.221 2.425 -8.624 1.00 0.00 O ATOM 496 CB ASP A 136 0.191 4.618 -7.007 1.00 0.00 C ATOM 497 CG ASP A 136 1.366 5.473 -7.512 1.00 0.00 C ATOM 498 OD1 ASP A 136 2.087 6.064 -6.673 1.00 0.00 O ATOM 499 OD2 ASP A 136 1.546 5.590 -8.747 1.00 0.00 O ATOM 0 H ASP A 136 -0.974 2.686 -5.924 1.00 0.00 H new ATOM 0 HA ASP A 136 -0.099 3.249 -8.639 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -0.745 5.115 -7.261 1.00 0.00 H new ATOM 0 HB3 ASP A 136 0.235 4.559 -5.919 1.00 0.00 H new ATOM 504 N ASP A 137 2.010 2.045 -6.414 1.00 0.00 N ATOM 505 CA ASP A 137 3.282 1.330 -6.223 1.00 0.00 C ATOM 506 C ASP A 137 3.232 0.505 -4.915 1.00 0.00 C ATOM 507 O ASP A 137 2.506 0.852 -3.981 1.00 0.00 O ATOM 508 CB ASP A 137 4.425 2.362 -6.141 1.00 0.00 C ATOM 509 CG ASP A 137 5.830 1.742 -6.241 1.00 0.00 C ATOM 510 OD1 ASP A 137 6.809 2.424 -5.851 1.00 0.00 O ATOM 511 OD2 ASP A 137 5.969 0.599 -6.737 1.00 0.00 O ATOM 0 H ASP A 137 1.474 2.135 -5.551 1.00 0.00 H new ATOM 0 HA ASP A 137 3.451 0.653 -7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.302 3.091 -6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.344 2.906 -5.200 1.00 0.00 H new ATOM 516 N ALA A 138 4.033 -0.562 -4.826 1.00 0.00 N ATOM 517 CA ALA A 138 4.186 -1.417 -3.644 1.00 0.00 C ATOM 518 C ALA A 138 5.671 -1.742 -3.370 1.00 0.00 C ATOM 519 O ALA A 138 6.457 -1.897 -4.310 1.00 0.00 O ATOM 520 CB ALA A 138 3.348 -2.691 -3.832 1.00 0.00 C ATOM 0 H ALA A 138 4.616 -0.866 -5.606 1.00 0.00 H new ATOM 0 HA ALA A 138 3.822 -0.883 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.457 -3.331 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.299 -2.422 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.692 -3.225 -4.717 1.00 0.00 H new ATOM 526 N MET A 139 6.060 -1.869 -2.094 1.00 0.00 N ATOM 527 CA MET A 139 7.438 -2.186 -1.676 1.00 0.00 C ATOM 528 C MET A 139 7.506 -2.878 -0.305 1.00 0.00 C ATOM 529 O MET A 139 6.968 -2.370 0.678 1.00 0.00 O ATOM 530 CB MET A 139 8.315 -0.919 -1.704 1.00 0.00 C ATOM 531 CG MET A 139 7.783 0.260 -0.878 1.00 0.00 C ATOM 532 SD MET A 139 8.869 1.711 -0.914 1.00 0.00 S ATOM 533 CE MET A 139 8.124 2.684 0.423 1.00 0.00 C ATOM 0 H MET A 139 5.419 -1.753 -1.309 1.00 0.00 H new ATOM 0 HA MET A 139 7.831 -2.903 -2.397 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.310 -1.177 -1.341 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.427 -0.596 -2.739 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.799 0.542 -1.253 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.651 -0.060 0.155 1.00 0.00 H new ATOM 0 HE1 MET A 139 8.671 3.619 0.541 1.00 0.00 H new ATOM 0 HE2 MET A 139 7.084 2.900 0.179 1.00 0.00 H new ATOM 0 HE3 MET A 139 8.169 2.118 1.353 1.00 0.00 H new ATOM 543 N LEU A 140 8.191 -4.023 -0.215 1.00 0.00 N ATOM 544 CA LEU A 140 8.484 -4.704 1.059 1.00 0.00 C ATOM 545 C LEU A 140 9.795 -4.185 1.670 1.00 0.00 C ATOM 546 O LEU A 140 10.737 -3.877 0.939 1.00 0.00 O ATOM 547 CB LEU A 140 8.507 -6.235 0.882 1.00 0.00 C ATOM 548 CG LEU A 140 7.268 -6.839 0.194 1.00 0.00 C ATOM 549 CD1 LEU A 140 7.361 -8.362 0.202 1.00 0.00 C ATOM 550 CD2 LEU A 140 5.959 -6.445 0.875 1.00 0.00 C ATOM 0 H LEU A 140 8.563 -4.511 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 140 7.680 -4.472 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 140 9.390 -6.504 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 140 8.617 -6.696 1.864 1.00 0.00 H new ATOM 0 HG LEU A 140 7.259 -6.445 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 140 6.482 -8.783 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 140 8.258 -8.675 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 140 7.410 -8.718 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 140 5.122 -6.900 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 140 5.967 -6.793 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.852 -5.360 0.858 1.00 0.00 H new ATOM 562 N MET A 141 9.863 -4.081 3.000 1.00 0.00 N ATOM 563 CA MET A 141 11.056 -3.595 3.715 1.00 0.00 C ATOM 564 C MET A 141 12.003 -4.737 4.106 1.00 0.00 C ATOM 565 O MET A 141 11.549 -5.812 4.495 1.00 0.00 O ATOM 566 CB MET A 141 10.650 -2.766 4.940 1.00 0.00 C ATOM 567 CG MET A 141 9.908 -1.477 4.562 1.00 0.00 C ATOM 568 SD MET A 141 10.831 -0.308 3.521 1.00 0.00 S ATOM 569 CE MET A 141 9.865 -0.409 1.991 1.00 0.00 C ATOM 0 H MET A 141 9.091 -4.332 3.618 1.00 0.00 H new ATOM 0 HA MET A 141 11.607 -2.951 3.030 1.00 0.00 H new ATOM 0 HB2 MET A 141 10.015 -3.370 5.588 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.541 -2.513 5.514 1.00 0.00 H new ATOM 0 HG2 MET A 141 8.989 -1.748 4.043 1.00 0.00 H new ATOM 0 HG3 MET A 141 9.617 -0.965 5.479 1.00 0.00 H new ATOM 0 HE1 MET A 141 10.149 0.408 1.327 1.00 0.00 H new ATOM 0 HE2 MET A 141 10.061 -1.362 1.499 1.00 0.00 H new ATOM 0 HE3 MET A 141 8.803 -0.334 2.225 1.00 0.00 H new ATOM 699 N HIS A 149 12.861 -10.043 3.545 1.00 0.00 N ATOM 700 CA HIS A 149 11.924 -8.994 3.975 1.00 0.00 C ATOM 701 C HIS A 149 11.478 -9.193 5.436 1.00 0.00 C ATOM 702 O HIS A 149 11.438 -10.315 5.947 1.00 0.00 O ATOM 703 CB HIS A 149 10.766 -8.826 2.981 1.00 0.00 C ATOM 704 CG HIS A 149 9.678 -9.866 3.037 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.678 -9.923 4.012 1.00 0.00 N ATOM 706 CD2 HIS A 149 9.337 -10.699 2.010 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.778 -10.813 3.565 1.00 0.00 C ATOM 708 NE2 HIS A 149 8.150 -11.296 2.368 1.00 0.00 N ATOM 0 HA HIS A 149 12.453 -8.041 3.964 1.00 0.00 H new ATOM 0 HB2 HIS A 149 10.313 -7.849 3.147 1.00 0.00 H new ATOM 0 HB3 HIS A 149 11.180 -8.819 1.973 1.00 0.00 H new ATOM 0 HD2 HIS A 149 9.890 -10.858 1.096 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.881 -11.100 4.093 1.00 0.00 H new ATOM 0 HE2 HIS A 149 7.640 -11.987 1.818 1.00 0.00 H new ATOM 716 N ARG A 150 11.162 -8.089 6.125 1.00 0.00 N ATOM 717 CA ARG A 150 10.815 -8.021 7.562 1.00 0.00 C ATOM 718 C ARG A 150 9.388 -8.480 7.910 1.00 0.00 C ATOM 719 O ARG A 150 8.910 -8.243 9.019 1.00 0.00 O ATOM 720 CB ARG A 150 11.104 -6.599 8.086 1.00 0.00 C ATOM 721 CG ARG A 150 12.607 -6.290 8.179 1.00 0.00 C ATOM 722 CD ARG A 150 12.882 -4.858 8.665 1.00 0.00 C ATOM 723 NE ARG A 150 12.348 -4.605 10.019 1.00 0.00 N ATOM 724 CZ ARG A 150 12.161 -3.421 10.574 1.00 0.00 C ATOM 725 NH1 ARG A 150 12.623 -2.314 10.074 1.00 0.00 N ATOM 726 NH2 ARG A 150 11.458 -3.298 11.652 1.00 0.00 N ATOM 0 H ARG A 150 11.138 -7.172 5.680 1.00 0.00 H new ATOM 0 HA ARG A 150 11.450 -8.746 8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 150 10.629 -5.871 7.428 1.00 0.00 H new ATOM 0 HB3 ARG A 150 10.652 -6.481 9.071 1.00 0.00 H new ATOM 0 HG2 ARG A 150 13.079 -6.999 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 150 13.066 -6.433 7.201 1.00 0.00 H new ATOM 0 HD2 ARG A 150 13.957 -4.678 8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 150 12.439 -4.149 7.965 1.00 0.00 H new ATOM 0 HE ARG A 150 12.100 -5.421 10.578 1.00 0.00 H new ATOM 0 HH11 ARG A 150 13.162 -2.331 9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 150 12.447 -1.428 10.547 1.00 0.00 H new ATOM 0 HH21 ARG A 150 11.040 -4.121 12.085 1.00 0.00 H new ATOM 0 HH22 ARG A 150 11.322 -2.378 12.070 1.00 0.00 H new ATOM 740 N GLY A 151 8.676 -9.095 6.967 1.00 0.00 N ATOM 741 CA GLY A 151 7.270 -9.467 7.120 1.00 0.00 C ATOM 742 C GLY A 151 6.297 -8.286 7.036 1.00 0.00 C ATOM 743 O GLY A 151 5.174 -8.387 7.532 1.00 0.00 O ATOM 0 H GLY A 151 9.066 -9.353 6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 151 7.011 -10.192 6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 151 7.139 -9.964 8.081 1.00 0.00 H new ATOM 747 N PHE A 152 6.701 -7.162 6.437 1.00 0.00 N ATOM 748 CA PHE A 152 5.809 -6.025 6.193 1.00 0.00 C ATOM 749 C PHE A 152 6.281 -5.230 4.963 1.00 0.00 C ATOM 750 O PHE A 152 7.418 -5.360 4.491 1.00 0.00 O ATOM 751 CB PHE A 152 5.767 -5.105 7.425 1.00 0.00 C ATOM 752 CG PHE A 152 6.995 -4.252 7.680 1.00 0.00 C ATOM 753 CD1 PHE A 152 8.012 -4.713 8.532 1.00 0.00 C ATOM 754 CD2 PHE A 152 7.080 -2.956 7.137 1.00 0.00 C ATOM 755 CE1 PHE A 152 9.088 -3.875 8.857 1.00 0.00 C ATOM 756 CE2 PHE A 152 8.156 -2.117 7.469 1.00 0.00 C ATOM 757 CZ PHE A 152 9.165 -2.577 8.331 1.00 0.00 C ATOM 0 H PHE A 152 7.655 -7.015 6.108 1.00 0.00 H new ATOM 0 HA PHE A 152 4.806 -6.408 6.003 1.00 0.00 H new ATOM 0 HB2 PHE A 152 4.907 -4.443 7.326 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.593 -5.723 8.306 1.00 0.00 H new ATOM 0 HD1 PHE A 152 7.965 -5.713 8.937 1.00 0.00 H new ATOM 0 HD2 PHE A 152 6.314 -2.605 6.462 1.00 0.00 H new ATOM 0 HE1 PHE A 152 9.864 -4.232 9.518 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.208 -1.118 7.062 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.995 -1.935 8.587 1.00 0.00 H new ATOM 767 N GLY A 153 5.397 -4.365 4.464 1.00 0.00 N ATOM 768 CA GLY A 153 5.695 -3.419 3.392 1.00 0.00 C ATOM 769 C GLY A 153 4.716 -2.250 3.311 1.00 0.00 C ATOM 770 O GLY A 153 3.732 -2.185 4.048 1.00 0.00 O ATOM 0 H GLY A 153 4.436 -4.302 4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.702 -3.028 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.692 -3.950 2.440 1.00 0.00 H new ATOM 774 N PHE A 154 4.999 -1.334 2.389 1.00 0.00 N ATOM 775 CA PHE A 154 4.147 -0.210 2.008 1.00 0.00 C ATOM 776 C PHE A 154 3.391 -0.365 0.685 1.00 0.00 C ATOM 777 O PHE A 154 3.921 -0.945 -0.267 1.00 0.00 O ATOM 778 CB PHE A 154 4.921 1.109 2.089 1.00 0.00 C ATOM 779 CG PHE A 154 5.206 1.536 3.510 1.00 0.00 C ATOM 780 CD1 PHE A 154 4.267 2.300 4.226 1.00 0.00 C ATOM 781 CD2 PHE A 154 6.391 1.114 4.137 1.00 0.00 C ATOM 782 CE1 PHE A 154 4.524 2.663 5.559 1.00 0.00 C ATOM 783 CE2 PHE A 154 6.637 1.455 5.475 1.00 0.00 C ATOM 784 CZ PHE A 154 5.713 2.242 6.182 1.00 0.00 C ATOM 0 H PHE A 154 5.871 -1.356 1.861 1.00 0.00 H new ATOM 0 HA PHE A 154 3.347 -0.198 2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.863 1.006 1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 154 4.351 1.891 1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 154 3.347 2.608 3.751 1.00 0.00 H new ATOM 0 HD2 PHE A 154 7.112 0.527 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 154 3.811 3.264 6.104 1.00 0.00 H new ATOM 0 HE2 PHE A 154 7.538 1.112 5.962 1.00 0.00 H new ATOM 0 HZ PHE A 154 5.915 2.524 7.205 1.00 0.00 H new ATOM 794 N VAL A 155 2.182 0.199 0.609 1.00 0.00 N ATOM 795 CA VAL A 155 1.354 0.256 -0.608 1.00 0.00 C ATOM 796 C VAL A 155 0.762 1.647 -0.826 1.00 0.00 C ATOM 797 O VAL A 155 -0.024 2.126 -0.009 1.00 0.00 O ATOM 798 CB VAL A 155 0.266 -0.841 -0.651 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.310 -0.985 -2.062 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.768 -2.215 -0.195 1.00 0.00 C ATOM 0 H VAL A 155 1.736 0.642 1.412 1.00 0.00 H new ATOM 0 HA VAL A 155 2.026 0.050 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.502 -0.511 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.073 -1.763 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.754 -0.039 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.487 -1.255 -2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.047 -2.937 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.583 -2.538 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 155 1.125 -2.149 0.833 1.00 0.00 H new ATOM 810 N THR A 156 1.153 2.300 -1.918 1.00 0.00 N ATOM 811 CA THR A 156 0.612 3.587 -2.393 1.00 0.00 C ATOM 812 C THR A 156 -0.584 3.423 -3.326 1.00 0.00 C ATOM 813 O THR A 156 -0.608 2.476 -4.110 1.00 0.00 O ATOM 814 CB THR A 156 1.693 4.511 -2.990 1.00 0.00 C ATOM 815 OG1 THR A 156 2.919 4.394 -2.291 1.00 0.00 O ATOM 816 CG2 THR A 156 1.304 5.989 -2.954 1.00 0.00 C ATOM 0 H THR A 156 1.886 1.938 -2.527 1.00 0.00 H new ATOM 0 HA THR A 156 0.238 4.089 -1.501 1.00 0.00 H new ATOM 0 HB THR A 156 1.796 4.185 -4.025 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.584 4.990 -2.694 1.00 0.00 H new ATOM 0 HG21 THR A 156 2.105 6.587 -3.388 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.389 6.138 -3.527 1.00 0.00 H new ATOM 0 HG23 THR A 156 1.140 6.297 -1.921 1.00 0.00 H new ATOM 824 N PHE A 157 -1.572 4.316 -3.272 1.00 0.00 N ATOM 825 CA PHE A 157 -2.838 4.206 -4.005 1.00 0.00 C ATOM 826 C PHE A 157 -3.095 5.225 -5.118 1.00 0.00 C ATOM 827 O PHE A 157 -2.463 6.278 -5.175 1.00 0.00 O ATOM 828 CB PHE A 157 -4.004 4.063 -3.018 1.00 0.00 C ATOM 829 CG PHE A 157 -4.112 2.685 -2.397 1.00 0.00 C ATOM 830 CD1 PHE A 157 -3.266 2.324 -1.333 1.00 0.00 C ATOM 831 CD2 PHE A 157 -5.046 1.752 -2.888 1.00 0.00 C ATOM 832 CE1 PHE A 157 -3.357 1.045 -0.765 1.00 0.00 C ATOM 833 CE2 PHE A 157 -5.150 0.478 -2.305 1.00 0.00 C ATOM 834 CZ PHE A 157 -4.306 0.125 -1.238 1.00 0.00 C ATOM 0 H PHE A 157 -1.515 5.160 -2.702 1.00 0.00 H new ATOM 0 HA PHE A 157 -2.746 3.292 -4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -3.889 4.801 -2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -4.936 4.293 -3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -2.545 3.033 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -5.685 2.017 -3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -2.694 0.766 0.040 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -5.877 -0.229 -2.676 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.387 -0.851 -0.783 1.00 0.00 H new ATOM 844 N GLU A 158 -4.057 4.928 -5.991 1.00 0.00 N ATOM 845 CA GLU A 158 -4.582 5.890 -6.971 1.00 0.00 C ATOM 846 C GLU A 158 -5.399 7.010 -6.295 1.00 0.00 C ATOM 847 O GLU A 158 -5.257 8.185 -6.642 1.00 0.00 O ATOM 848 CB GLU A 158 -5.423 5.124 -8.007 1.00 0.00 C ATOM 849 CG GLU A 158 -6.116 5.984 -9.078 1.00 0.00 C ATOM 850 CD GLU A 158 -5.162 6.695 -10.065 1.00 0.00 C ATOM 851 OE1 GLU A 158 -5.660 7.491 -10.899 1.00 0.00 O ATOM 852 OE2 GLU A 158 -3.931 6.456 -10.047 1.00 0.00 O ATOM 0 H GLU A 158 -4.499 4.010 -6.042 1.00 0.00 H new ATOM 0 HA GLU A 158 -3.749 6.384 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.778 4.403 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -6.186 4.554 -7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -6.796 5.350 -9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -6.725 6.738 -8.579 1.00 0.00 H new ATOM 859 N SER A 159 -6.210 6.663 -5.287 1.00 0.00 N ATOM 860 CA SER A 159 -7.117 7.578 -4.575 1.00 0.00 C ATOM 861 C SER A 159 -7.163 7.316 -3.067 1.00 0.00 C ATOM 862 O SER A 159 -7.109 6.170 -2.614 1.00 0.00 O ATOM 863 CB SER A 159 -8.521 7.493 -5.183 1.00 0.00 C ATOM 864 OG SER A 159 -9.429 8.324 -4.475 1.00 0.00 O ATOM 0 H SER A 159 -6.256 5.708 -4.932 1.00 0.00 H new ATOM 0 HA SER A 159 -6.724 8.587 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 159 -8.487 7.793 -6.230 1.00 0.00 H new ATOM 0 HB3 SER A 159 -8.871 6.461 -5.158 1.00 0.00 H new ATOM 0 HG SER A 159 -10.319 8.256 -4.880 1.00 0.00 H new ATOM 870 N GLU A 160 -7.315 8.388 -2.284 1.00 0.00 N ATOM 871 CA GLU A 160 -7.488 8.341 -0.822 1.00 0.00 C ATOM 872 C GLU A 160 -8.779 7.599 -0.419 1.00 0.00 C ATOM 873 O GLU A 160 -8.849 7.010 0.660 1.00 0.00 O ATOM 874 CB GLU A 160 -7.550 9.767 -0.246 1.00 0.00 C ATOM 875 CG GLU A 160 -6.391 10.709 -0.614 1.00 0.00 C ATOM 876 CD GLU A 160 -6.672 12.177 -0.236 1.00 0.00 C ATOM 877 OE1 GLU A 160 -7.455 12.458 0.703 1.00 0.00 O ATOM 878 OE2 GLU A 160 -6.123 13.088 -0.900 1.00 0.00 O ATOM 0 H GLU A 160 -7.322 9.338 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.630 7.802 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -8.481 10.228 -0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -7.598 9.694 0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -5.484 10.376 -0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -6.202 10.644 -1.686 1.00 0.00 H new ATOM 885 N ASP A 161 -9.789 7.575 -1.297 1.00 0.00 N ATOM 886 CA ASP A 161 -11.017 6.799 -1.088 1.00 0.00 C ATOM 887 C ASP A 161 -10.796 5.285 -0.982 1.00 0.00 C ATOM 888 O ASP A 161 -11.444 4.614 -0.174 1.00 0.00 O ATOM 889 CB ASP A 161 -12.074 7.134 -2.156 1.00 0.00 C ATOM 890 CG ASP A 161 -12.744 8.515 -2.013 1.00 0.00 C ATOM 891 OD1 ASP A 161 -13.514 8.891 -2.931 1.00 0.00 O ATOM 892 OD2 ASP A 161 -12.547 9.224 -0.996 1.00 0.00 O ATOM 0 H ASP A 161 -9.777 8.095 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.392 7.106 -0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.604 7.077 -3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.849 6.368 -2.128 1.00 0.00 H new ATOM 897 N ILE A 162 -9.839 4.747 -1.751 1.00 0.00 N ATOM 898 CA ILE A 162 -9.435 3.339 -1.639 1.00 0.00 C ATOM 899 C ILE A 162 -8.644 3.118 -0.353 1.00 0.00 C ATOM 900 O ILE A 162 -8.908 2.153 0.353 1.00 0.00 O ATOM 901 CB ILE A 162 -8.613 2.846 -2.847 1.00 0.00 C ATOM 902 CG1 ILE A 162 -9.116 3.324 -4.215 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.547 1.311 -2.841 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.603 3.077 -4.514 1.00 0.00 C ATOM 0 H ILE A 162 -9.328 5.270 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.355 2.754 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.626 3.290 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -8.923 4.394 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.525 2.833 -4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -7.965 0.968 -3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -8.073 0.971 -1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.556 0.903 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -10.842 3.456 -5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -10.809 2.007 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -11.214 3.592 -3.772 1.00 0.00 H new ATOM 916 N VAL A 163 -7.727 4.027 0.001 1.00 0.00 N ATOM 917 CA VAL A 163 -6.926 3.916 1.234 1.00 0.00 C ATOM 918 C VAL A 163 -7.842 3.760 2.450 1.00 0.00 C ATOM 919 O VAL A 163 -7.636 2.863 3.263 1.00 0.00 O ATOM 920 CB VAL A 163 -6.020 5.151 1.414 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.255 5.174 2.740 1.00 0.00 C ATOM 922 CG2 VAL A 163 -5.003 5.219 0.277 1.00 0.00 C ATOM 0 H VAL A 163 -7.517 4.857 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.293 3.033 1.148 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.690 6.010 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.641 6.073 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -5.963 5.171 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -4.615 4.294 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.366 6.094 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.389 4.319 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.527 5.293 -0.676 1.00 0.00 H new ATOM 932 N GLU A 164 -8.901 4.569 2.548 1.00 0.00 N ATOM 933 CA GLU A 164 -9.892 4.445 3.623 1.00 0.00 C ATOM 934 C GLU A 164 -10.779 3.194 3.514 1.00 0.00 C ATOM 935 O GLU A 164 -11.009 2.541 4.530 1.00 0.00 O ATOM 936 CB GLU A 164 -10.720 5.733 3.743 1.00 0.00 C ATOM 937 CG GLU A 164 -9.827 6.878 4.252 1.00 0.00 C ATOM 938 CD GLU A 164 -10.594 8.090 4.812 1.00 0.00 C ATOM 939 OE1 GLU A 164 -11.807 8.269 4.543 1.00 0.00 O ATOM 940 OE2 GLU A 164 -9.951 8.877 5.550 1.00 0.00 O ATOM 0 H GLU A 164 -9.096 5.324 1.890 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.331 4.306 4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.146 5.994 2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -11.554 5.578 4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.170 6.490 5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -9.189 7.215 3.435 1.00 0.00 H new ATOM 947 N LYS A 165 -11.209 2.788 2.308 1.00 0.00 N ATOM 948 CA LYS A 165 -11.937 1.520 2.084 1.00 0.00 C ATOM 949 C LYS A 165 -11.145 0.312 2.603 1.00 0.00 C ATOM 950 O LYS A 165 -11.673 -0.517 3.344 1.00 0.00 O ATOM 951 CB LYS A 165 -12.250 1.386 0.583 1.00 0.00 C ATOM 952 CG LYS A 165 -13.101 0.150 0.245 1.00 0.00 C ATOM 953 CD LYS A 165 -13.217 -0.076 -1.270 1.00 0.00 C ATOM 954 CE LYS A 165 -13.841 1.083 -2.064 1.00 0.00 C ATOM 955 NZ LYS A 165 -15.266 1.318 -1.708 1.00 0.00 N ATOM 0 H LYS A 165 -11.063 3.329 1.456 1.00 0.00 H new ATOM 0 HA LYS A 165 -12.870 1.540 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -12.773 2.281 0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.314 1.337 0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -12.659 -0.732 0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -14.097 0.269 0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -12.221 -0.272 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -13.812 -0.973 -1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -13.270 1.993 -1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -13.767 0.869 -3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -15.639 2.109 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -15.820 0.460 -1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -15.338 1.549 -0.697 1.00 0.00 H new ATOM 969 N VAL A 166 -9.865 0.247 2.243 1.00 0.00 N ATOM 970 CA VAL A 166 -8.904 -0.793 2.642 1.00 0.00 C ATOM 971 C VAL A 166 -8.630 -0.732 4.153 1.00 0.00 C ATOM 972 O VAL A 166 -8.740 -1.747 4.841 1.00 0.00 O ATOM 973 CB VAL A 166 -7.605 -0.638 1.824 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.563 -1.693 2.195 1.00 0.00 C ATOM 975 CG2 VAL A 166 -7.838 -0.761 0.307 1.00 0.00 C ATOM 0 H VAL A 166 -9.444 0.950 1.636 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.329 -1.774 2.431 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.247 0.362 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -5.666 -1.545 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.312 -1.600 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -6.968 -2.687 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -6.890 -0.644 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.258 -1.741 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -8.531 0.015 -0.019 1.00 0.00 H new ATOM 985 N CYS A 167 -8.324 0.444 4.706 1.00 0.00 N ATOM 986 CA CYS A 167 -8.050 0.594 6.143 1.00 0.00 C ATOM 987 C CYS A 167 -9.251 0.341 7.077 1.00 0.00 C ATOM 988 O CYS A 167 -9.054 -0.154 8.187 1.00 0.00 O ATOM 989 CB CYS A 167 -7.395 1.952 6.426 1.00 0.00 C ATOM 990 SG CYS A 167 -5.635 1.875 5.984 1.00 0.00 S ATOM 0 H CYS A 167 -8.259 1.314 4.178 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.353 -0.208 6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -7.892 2.735 5.852 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -7.506 2.210 7.479 1.00 0.00 H new ATOM 0 HG CYS A 167 -5.126 3.071 6.018 1.00 0.00 H new ATOM 996 N GLU A 168 -10.488 0.613 6.649 1.00 0.00 N ATOM 997 CA GLU A 168 -11.701 0.271 7.415 1.00 0.00 C ATOM 998 C GLU A 168 -11.957 -1.245 7.520 1.00 0.00 C ATOM 999 O GLU A 168 -12.563 -1.701 8.493 1.00 0.00 O ATOM 1000 CB GLU A 168 -12.928 0.984 6.816 1.00 0.00 C ATOM 1001 CG GLU A 168 -12.984 2.488 7.144 1.00 0.00 C ATOM 1002 CD GLU A 168 -13.321 2.821 8.615 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -13.236 4.018 8.988 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -13.686 1.922 9.412 1.00 0.00 O ATOM 0 H GLU A 168 -10.682 1.077 5.761 1.00 0.00 H new ATOM 0 HA GLU A 168 -11.531 0.621 8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -12.920 0.856 5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -13.834 0.505 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -12.021 2.935 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -13.728 2.958 6.501 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.463 -2.043 6.564 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.464 -3.517 6.644 1.00 0.00 C ATOM 1013 C ILE A 169 -10.449 -4.016 7.691 1.00 0.00 C ATOM 1014 O ILE A 169 -10.715 -4.999 8.384 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.215 -4.123 5.242 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.396 -3.781 4.302 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -11.015 -5.648 5.285 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -12.063 -3.939 2.815 1.00 0.00 C ATOM 0 H ILE A 169 -11.047 -1.684 5.704 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.444 -3.855 6.980 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.293 -3.683 4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.242 -4.424 4.546 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.712 -2.754 4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -10.844 -6.021 4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.154 -5.885 5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -11.905 -6.120 5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -12.937 -3.682 2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -11.238 -3.276 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.776 -4.971 2.614 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.331 -3.290 7.853 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.260 -3.461 8.858 1.00 0.00 C ATOM 1032 C HIS A 170 -7.457 -4.765 8.733 1.00 0.00 C ATOM 1033 O HIS A 170 -6.250 -4.706 8.498 1.00 0.00 O ATOM 1034 CB HIS A 170 -8.829 -3.222 10.272 1.00 0.00 C ATOM 1035 CG HIS A 170 -7.840 -3.231 11.418 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -8.192 -3.434 12.758 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -6.490 -3.030 11.350 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -7.049 -3.360 13.460 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.014 -3.121 12.641 1.00 0.00 N ATOM 0 H HIS A 170 -9.133 -2.503 7.235 1.00 0.00 H new ATOM 0 HA HIS A 170 -7.508 -2.699 8.653 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -9.341 -2.260 10.273 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -9.583 -3.985 10.468 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -5.910 -2.838 10.460 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -6.974 -3.476 14.531 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.039 -3.023 12.925 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.106 -5.926 8.833 1.00 0.00 N ATOM 1048 CA PHE A 171 -7.528 -7.246 8.554 1.00 0.00 C ATOM 1049 C PHE A 171 -7.862 -7.862 7.189 1.00 0.00 C ATOM 1050 O PHE A 171 -9.035 -8.050 6.858 1.00 0.00 O ATOM 1051 CB PHE A 171 -7.667 -8.211 9.738 1.00 0.00 C ATOM 1052 CG PHE A 171 -6.639 -7.994 10.833 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -6.895 -7.092 11.885 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -5.416 -8.693 10.796 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -5.939 -6.902 12.898 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -4.461 -8.502 11.810 1.00 0.00 C ATOM 1057 CZ PHE A 171 -4.723 -7.607 12.862 1.00 0.00 C ATOM 0 H PHE A 171 -9.083 -5.977 9.121 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.462 -7.047 8.444 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -8.665 -8.106 10.164 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -7.583 -9.234 9.372 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -7.827 -6.546 11.913 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -5.212 -9.378 9.986 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -6.139 -6.213 13.705 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -3.527 -9.043 11.781 1.00 0.00 H new ATOM 0 HZ PHE A 171 -3.991 -7.461 13.642 1.00 0.00 H new ATOM 1067 N HIS A 172 -6.833 -8.192 6.407 1.00 0.00 N ATOM 1068 CA HIS A 172 -6.927 -8.641 5.011 1.00 0.00 C ATOM 1069 C HIS A 172 -6.321 -10.030 4.808 1.00 0.00 C ATOM 1070 O HIS A 172 -5.345 -10.383 5.464 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.233 -7.616 4.103 1.00 0.00 C ATOM 1072 CG HIS A 172 -7.009 -6.335 3.933 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.826 -6.034 2.839 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -7.057 -5.297 4.818 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.314 -4.807 3.077 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -7.859 -4.341 4.249 1.00 0.00 N ATOM 0 H HIS A 172 -5.870 -8.153 6.740 1.00 0.00 H new ATOM 0 HA HIS A 172 -7.983 -8.716 4.750 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.251 -7.384 4.516 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -6.069 -8.064 3.123 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.562 -5.240 5.776 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -8.980 -4.270 2.417 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -8.073 -3.428 4.650 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.873 -10.815 3.883 1.00 0.00 N ATOM 1085 CA GLU A 173 -6.327 -12.118 3.483 1.00 0.00 C ATOM 1086 C GLU A 173 -5.436 -11.976 2.235 1.00 0.00 C ATOM 1087 O GLU A 173 -5.899 -11.480 1.207 1.00 0.00 O ATOM 1088 CB GLU A 173 -7.496 -13.093 3.249 1.00 0.00 C ATOM 1089 CG GLU A 173 -7.036 -14.524 2.931 1.00 0.00 C ATOM 1090 CD GLU A 173 -8.202 -15.520 2.740 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -9.393 -15.162 2.920 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -7.921 -16.694 2.394 1.00 0.00 O ATOM 0 H GLU A 173 -7.725 -10.563 3.381 1.00 0.00 H new ATOM 0 HA GLU A 173 -5.693 -12.516 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -8.129 -13.110 4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -8.109 -12.724 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -6.430 -14.509 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -6.395 -14.878 3.738 1.00 0.00 H new ATOM 1099 N ILE A 174 -4.177 -12.428 2.309 1.00 0.00 N ATOM 1100 CA ILE A 174 -3.203 -12.461 1.198 1.00 0.00 C ATOM 1101 C ILE A 174 -2.471 -13.806 1.226 1.00 0.00 C ATOM 1102 O ILE A 174 -1.997 -14.225 2.282 1.00 0.00 O ATOM 1103 CB ILE A 174 -2.208 -11.272 1.266 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.970 -9.928 1.256 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -1.187 -11.350 0.109 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -2.093 -8.677 1.179 1.00 0.00 C ATOM 0 H ILE A 174 -3.789 -12.797 3.177 1.00 0.00 H new ATOM 0 HA ILE A 174 -3.737 -12.357 0.253 1.00 0.00 H new ATOM 0 HB ILE A 174 -1.653 -11.334 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -3.654 -9.924 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -3.580 -9.869 2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 174 -0.498 -10.508 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 174 -0.627 -12.283 0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -1.714 -11.315 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.725 -7.789 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -1.426 -8.647 2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -1.502 -8.703 0.264 1.00 0.00 H new ATOM 1118 N ASN A 175 -2.406 -14.513 0.090 1.00 0.00 N ATOM 1119 CA ASN A 175 -1.863 -15.881 -0.005 1.00 0.00 C ATOM 1120 C ASN A 175 -2.466 -16.853 1.044 1.00 0.00 C ATOM 1121 O ASN A 175 -1.779 -17.715 1.597 1.00 0.00 O ATOM 1122 CB ASN A 175 -0.319 -15.843 -0.023 1.00 0.00 C ATOM 1123 CG ASN A 175 0.274 -15.187 -1.261 1.00 0.00 C ATOM 1124 OD1 ASN A 175 -0.245 -15.270 -2.366 1.00 0.00 O ATOM 1125 ND2 ASN A 175 1.423 -14.574 -1.119 1.00 0.00 N ATOM 0 H ASN A 175 -2.733 -14.148 -0.804 1.00 0.00 H new ATOM 0 HA ASN A 175 -2.180 -16.307 -0.957 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.030 -15.309 0.860 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.059 -16.863 0.051 1.00 0.00 H new ATOM 0 HD21 ASN A 175 1.886 -14.165 -1.930 1.00 0.00 H new ATOM 0 HD22 ASN A 175 1.854 -14.506 -0.197 1.00 0.00 H new ATOM 1132 N ASN A 176 -3.759 -16.673 1.351 1.00 0.00 N ATOM 1133 CA ASN A 176 -4.517 -17.374 2.397 1.00 0.00 C ATOM 1134 C ASN A 176 -3.976 -17.216 3.842 1.00 0.00 C ATOM 1135 O ASN A 176 -4.220 -18.072 4.697 1.00 0.00 O ATOM 1136 CB ASN A 176 -4.820 -18.827 1.975 1.00 0.00 C ATOM 1137 CG ASN A 176 -5.523 -18.937 0.631 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -5.022 -19.540 -0.309 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -6.701 -18.374 0.483 1.00 0.00 N ATOM 0 H ASN A 176 -4.335 -15.998 0.849 1.00 0.00 H new ATOM 0 HA ASN A 176 -5.473 -16.855 2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -3.886 -19.387 1.934 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -5.439 -19.297 2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -7.190 -18.442 -0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -7.126 -17.869 1.261 1.00 0.00 H new ATOM 1146 N LYS A 177 -3.273 -16.109 4.132 1.00 0.00 N ATOM 1147 CA LYS A 177 -2.781 -15.714 5.468 1.00 0.00 C ATOM 1148 C LYS A 177 -3.259 -14.292 5.812 1.00 0.00 C ATOM 1149 O LYS A 177 -3.447 -13.470 4.914 1.00 0.00 O ATOM 1150 CB LYS A 177 -1.247 -15.906 5.489 1.00 0.00 C ATOM 1151 CG LYS A 177 -0.626 -15.942 6.896 1.00 0.00 C ATOM 1152 CD LYS A 177 -0.137 -14.577 7.398 1.00 0.00 C ATOM 1153 CE LYS A 177 0.104 -14.643 8.912 1.00 0.00 C ATOM 1154 NZ LYS A 177 0.283 -13.287 9.482 1.00 0.00 N ATOM 0 H LYS A 177 -3.019 -15.433 3.412 1.00 0.00 H new ATOM 0 HA LYS A 177 -3.193 -16.343 6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -1.003 -16.835 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.785 -15.097 4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -1.363 -16.333 7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 177 0.212 -16.638 6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 177 0.783 -14.297 6.885 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -0.875 -13.808 7.170 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -0.738 -15.136 9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 177 0.988 -15.247 9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 0.478 -13.362 10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 1.081 -12.815 9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -0.584 -12.732 9.335 1.00 0.00 H new ATOM 1168 N MET A 178 -3.502 -13.997 7.093 1.00 0.00 N ATOM 1169 CA MET A 178 -4.091 -12.728 7.543 1.00 0.00 C ATOM 1170 C MET A 178 -3.029 -11.670 7.856 1.00 0.00 C ATOM 1171 O MET A 178 -2.049 -11.956 8.551 1.00 0.00 O ATOM 1172 CB MET A 178 -5.007 -12.946 8.758 1.00 0.00 C ATOM 1173 CG MET A 178 -6.214 -13.846 8.453 1.00 0.00 C ATOM 1174 SD MET A 178 -7.250 -13.370 7.036 1.00 0.00 S ATOM 1175 CE MET A 178 -7.846 -11.740 7.569 1.00 0.00 C ATOM 0 H MET A 178 -3.293 -14.639 7.857 1.00 0.00 H new ATOM 0 HA MET A 178 -4.690 -12.350 6.715 1.00 0.00 H new ATOM 0 HB2 MET A 178 -4.427 -13.389 9.567 1.00 0.00 H new ATOM 0 HB3 MET A 178 -5.364 -11.979 9.114 1.00 0.00 H new ATOM 0 HG2 MET A 178 -5.849 -14.859 8.283 1.00 0.00 H new ATOM 0 HG3 MET A 178 -6.846 -13.880 9.340 1.00 0.00 H new ATOM 0 HE1 MET A 178 -8.510 -11.329 6.808 1.00 0.00 H new ATOM 0 HE2 MET A 178 -8.389 -11.841 8.509 1.00 0.00 H new ATOM 0 HE3 MET A 178 -6.997 -11.071 7.710 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.243 -10.445 7.379 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.337 -9.296 7.540 1.00 0.00 C ATOM 1187 C VAL A 179 -3.078 -8.031 7.979 1.00 0.00 C ATOM 1188 O VAL A 179 -4.268 -7.870 7.710 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.509 -9.029 6.266 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.708 -10.267 5.869 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.336 -8.565 5.060 1.00 0.00 C ATOM 0 H VAL A 179 -4.082 -10.211 6.849 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.645 -9.566 8.337 1.00 0.00 H new ATOM 0 HB VAL A 179 -0.844 -8.207 6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -0.132 -10.054 4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -0.029 -10.536 6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.390 -11.095 5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -1.676 -8.400 4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -3.071 -9.329 4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -2.849 -7.635 5.307 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.370 -7.129 8.657 1.00 0.00 N ATOM 1202 CA GLU A 180 -2.923 -5.880 9.201 1.00 0.00 C ATOM 1203 C GLU A 180 -2.566 -4.662 8.332 1.00 0.00 C ATOM 1204 O GLU A 180 -1.386 -4.345 8.168 1.00 0.00 O ATOM 1205 CB GLU A 180 -2.408 -5.664 10.634 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.209 -4.557 11.339 1.00 0.00 C ATOM 1207 CD GLU A 180 -2.561 -4.010 12.621 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -3.295 -3.394 13.430 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -1.320 -4.105 12.786 1.00 0.00 O ATOM 0 H GLU A 180 -1.375 -7.244 8.850 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.009 -5.975 9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -2.488 -6.593 11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.352 -5.396 10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.354 -3.732 10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.198 -4.944 11.585 1.00 0.00 H new ATOM 1216 N CYS A 181 -3.574 -3.936 7.842 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.409 -2.671 7.119 1.00 0.00 C ATOM 1218 C CYS A 181 -3.630 -1.447 8.025 1.00 0.00 C ATOM 1219 O CYS A 181 -4.608 -1.396 8.777 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.338 -2.632 5.901 1.00 0.00 C ATOM 1221 SG CYS A 181 -3.897 -3.981 4.777 1.00 0.00 S ATOM 0 H CYS A 181 -4.550 -4.217 7.939 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.376 -2.621 6.775 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -5.377 -2.730 6.217 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -4.249 -1.673 5.391 1.00 0.00 H new ATOM 0 HG CYS A 181 -4.046 -3.587 3.547 1.00 0.00 H new ATOM 1227 N LYS A 182 -2.755 -0.438 7.921 1.00 0.00 N ATOM 1228 CA LYS A 182 -2.799 0.827 8.689 1.00 0.00 C ATOM 1229 C LYS A 182 -2.426 2.017 7.798 1.00 0.00 C ATOM 1230 O LYS A 182 -1.551 1.866 6.950 1.00 0.00 O ATOM 1231 CB LYS A 182 -1.836 0.756 9.897 1.00 0.00 C ATOM 1232 CG LYS A 182 -2.113 -0.412 10.861 1.00 0.00 C ATOM 1233 CD LYS A 182 -1.227 -0.376 12.119 1.00 0.00 C ATOM 1234 CE LYS A 182 0.233 -0.815 11.907 1.00 0.00 C ATOM 1235 NZ LYS A 182 0.340 -2.265 11.599 1.00 0.00 N ATOM 0 H LYS A 182 -1.965 -0.475 7.277 1.00 0.00 H new ATOM 0 HA LYS A 182 -3.817 0.968 9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -0.814 0.672 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -1.898 1.692 10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -3.161 -0.388 11.160 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -1.953 -1.354 10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -1.230 0.639 12.517 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -1.676 -1.017 12.878 1.00 0.00 H new ATOM 0 HE2 LYS A 182 0.670 -0.238 11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.812 -0.591 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 1.241 -2.632 11.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -0.449 -2.774 12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 0.303 -2.405 10.569 1.00 0.00 H new ATOM 1249 N LYS A 183 -3.011 3.208 7.994 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.560 4.436 7.298 1.00 0.00 C ATOM 1251 C LYS A 183 -1.085 4.730 7.599 1.00 0.00 C ATOM 1252 O LYS A 183 -0.662 4.598 8.750 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.424 5.655 7.667 1.00 0.00 C ATOM 1254 CG LYS A 183 -4.812 5.662 7.005 1.00 0.00 C ATOM 1255 CD LYS A 183 -5.523 6.989 7.320 1.00 0.00 C ATOM 1256 CE LYS A 183 -6.874 7.099 6.603 1.00 0.00 C ATOM 1257 NZ LYS A 183 -7.535 8.400 6.894 1.00 0.00 N ATOM 0 H LYS A 183 -3.797 3.353 8.627 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.673 4.253 6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.549 5.684 8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -2.893 6.563 7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -4.713 5.537 5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -5.405 4.824 7.370 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -5.675 7.073 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -4.886 7.822 7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -6.727 6.995 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.522 6.281 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -8.469 8.425 6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -7.650 8.509 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -6.949 9.177 6.527 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.311 5.126 6.587 1.00 0.00 N ATOM 1272 CA ALA A 184 1.133 5.329 6.705 1.00 0.00 C ATOM 1273 C ALA A 184 1.504 6.560 7.563 1.00 0.00 C ATOM 1274 O ALA A 184 1.576 7.692 7.077 1.00 0.00 O ATOM 1275 CB ALA A 184 1.738 5.398 5.300 1.00 0.00 C ATOM 0 H ALA A 184 -0.673 5.317 5.653 1.00 0.00 H new ATOM 0 HA ALA A 184 1.558 4.480 7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.815 5.549 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.538 4.466 4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.292 6.228 4.752 1.00 0.00 H new