USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1062 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 36 GLN : amide:sc= 0.287 K(o=0.59,f=-0.58) USER MOD Set 1.2: A 112 SER OG : rot -143:sc= 0.302 USER MOD Set 2.1: A 86 THR OG1 : rot -115:sc= 0.194 USER MOD Set 2.2: A 102 MET CE :methyl 154:sc= -0.808 (180deg=-3.04!) USER MOD Set 3.1: A 38 MET CE :methyl -177:sc= 0 (180deg=0) USER MOD Set 3.2: A 41 GLN : amide:sc= -0.736 K(o=-0.74,f=-3.4!) USER MOD Single : A 24 SER OG : rot -170:sc= 0 USER MOD Single : A 30 THR OG1 : rot -49:sc= 0.16 USER MOD Single : A 32 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.31) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0807 K(o=-0.081,f=-1.7!) USER MOD Single : A 52 GLN : amide:sc= 0.821 K(o=0.82,f=-0.11) USER MOD Single : A 59 THR OG1 : rot 140:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= 1.02 (180deg=0.742) USER MOD Single : A 66 THR OG1 : rot -160:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.5!) USER MOD Single : A 74 ASN : amide:sc= 0.904 K(o=0.9,f=0) USER MOD Single : A 79 GLN : amide:sc= 0.547 K(o=0.55,f=0) USER MOD Single : A 92 GLN : amide:sc=-0.00555 K(o=-0.0055,f=-1.8!) USER MOD Single : A 97 HIS : no HD1:sc= -0.709 K(o=-0.71,f=-2) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.00763 USER MOD Single : A 113 HIS : no HD1:sc=-0.00625 X(o=-0.0063,f=-0.23) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0568 USER MOD Single : A 124 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.5) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.0036) USER MOD Single : A 135 SER OG : rot -140:sc= 0.0078 USER MOD Single : A 137 SER OG : rot 180:sc= 0.176 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 HIS : no HD1:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 158 HIS : no HE2:sc= -1.49 X(o=-1.5,f=-1.4) USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 24 17.814 6.055 -8.071 1.00 0.00 N ATOM 139 CA SER A 24 16.402 6.294 -7.737 1.00 0.00 C ATOM 140 C SER A 24 16.238 7.502 -6.795 1.00 0.00 C ATOM 141 O SER A 24 17.147 7.833 -6.024 1.00 0.00 O ATOM 142 CB SER A 24 15.814 5.028 -7.100 1.00 0.00 C ATOM 143 OG SER A 24 14.407 5.121 -6.922 1.00 0.00 O ATOM 0 HA SER A 24 15.862 6.528 -8.655 1.00 0.00 H new ATOM 0 HB2 SER A 24 16.043 4.167 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 24 16.290 4.854 -6.135 1.00 0.00 H new ATOM 0 HG SER A 24 14.096 4.369 -6.375 1.00 0.00 H new ATOM 149 N GLY A 25 15.073 8.159 -6.858 1.00 0.00 N ATOM 150 CA GLY A 25 14.732 9.371 -6.103 1.00 0.00 C ATOM 151 C GLY A 25 14.376 10.559 -7.003 1.00 0.00 C ATOM 152 O GLY A 25 14.657 10.559 -8.202 1.00 0.00 O ATOM 0 H GLY A 25 14.311 7.848 -7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.890 9.157 -5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.574 9.644 -5.466 1.00 0.00 H new ATOM 156 N VAL A 26 13.751 11.577 -6.409 1.00 0.00 N ATOM 157 CA VAL A 26 13.316 12.808 -7.100 1.00 0.00 C ATOM 158 C VAL A 26 14.501 13.713 -7.462 1.00 0.00 C ATOM 159 O VAL A 26 15.424 13.897 -6.670 1.00 0.00 O ATOM 160 CB VAL A 26 12.269 13.611 -6.293 1.00 0.00 C ATOM 161 CG1 VAL A 26 10.927 12.870 -6.258 1.00 0.00 C ATOM 162 CG2 VAL A 26 12.707 13.938 -4.854 1.00 0.00 C ATOM 0 H VAL A 26 13.525 11.576 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 26 12.840 12.471 -8.021 1.00 0.00 H new ATOM 0 HB VAL A 26 12.165 14.561 -6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.205 13.452 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.559 12.735 -7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.062 11.896 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.920 14.502 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.891 13.011 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.620 14.532 -4.878 1.00 0.00 H new ATOM 172 N ASP A 27 14.446 14.308 -8.657 1.00 0.00 N ATOM 173 CA ASP A 27 15.472 15.225 -9.188 1.00 0.00 C ATOM 174 C ASP A 27 15.157 16.717 -8.906 1.00 0.00 C ATOM 175 O ASP A 27 15.909 17.605 -9.310 1.00 0.00 O ATOM 176 CB ASP A 27 15.635 14.926 -10.690 1.00 0.00 C ATOM 177 CG ASP A 27 16.897 15.559 -11.305 1.00 0.00 C ATOM 178 OD1 ASP A 27 16.770 16.315 -12.299 1.00 0.00 O ATOM 179 OD2 ASP A 27 18.017 15.257 -10.826 1.00 0.00 O1- ATOM 0 H ASP A 27 13.669 14.165 -9.302 1.00 0.00 H new ATOM 0 HA ASP A 27 16.416 15.051 -8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.671 13.846 -10.836 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.757 15.291 -11.223 1.00 0.00 H new ATOM 184 N LEU A 28 14.042 16.991 -8.209 1.00 0.00 N ATOM 185 CA LEU A 28 13.489 18.338 -7.961 1.00 0.00 C ATOM 186 C LEU A 28 12.665 18.492 -6.663 1.00 0.00 C ATOM 187 O LEU A 28 12.274 19.610 -6.323 1.00 0.00 O ATOM 188 CB LEU A 28 12.672 18.790 -9.194 1.00 0.00 C ATOM 189 CG LEU A 28 11.581 17.792 -9.657 1.00 0.00 C ATOM 190 CD1 LEU A 28 10.222 18.481 -9.827 1.00 0.00 C ATOM 191 CD2 LEU A 28 11.984 17.132 -10.983 1.00 0.00 C ATOM 0 H LEU A 28 13.478 16.254 -7.786 1.00 0.00 H new ATOM 0 HA LEU A 28 14.349 18.989 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.197 19.745 -8.967 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.359 18.965 -10.022 1.00 0.00 H new ATOM 0 HG LEU A 28 11.489 17.031 -8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.482 17.750 -10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.912 18.913 -8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.305 19.270 -10.574 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.206 16.434 -11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.110 17.899 -11.748 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.923 16.594 -10.851 1.00 0.00 H new ATOM 203 N GLY A 29 12.387 17.406 -5.928 1.00 0.00 N ATOM 204 CA GLY A 29 11.735 17.443 -4.604 1.00 0.00 C ATOM 205 C GLY A 29 10.202 17.338 -4.600 1.00 0.00 C ATOM 206 O GLY A 29 9.624 17.210 -3.520 1.00 0.00 O ATOM 0 H GLY A 29 12.611 16.461 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.136 16.628 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.016 18.373 -4.109 1.00 0.00 H new ATOM 210 N THR A 30 9.540 17.383 -5.769 1.00 0.00 N ATOM 211 CA THR A 30 8.063 17.445 -5.888 1.00 0.00 C ATOM 212 C THR A 30 7.489 16.770 -7.148 1.00 0.00 C ATOM 213 O THR A 30 6.305 16.914 -7.445 1.00 0.00 O ATOM 214 CB THR A 30 7.616 18.909 -5.685 1.00 0.00 C ATOM 215 OG1 THR A 30 6.249 18.963 -5.349 1.00 0.00 O ATOM 216 CG2 THR A 30 7.886 19.823 -6.884 1.00 0.00 C ATOM 0 H THR A 30 10.016 17.378 -6.671 1.00 0.00 H new ATOM 0 HA THR A 30 7.628 16.834 -5.097 1.00 0.00 H new ATOM 0 HB THR A 30 8.227 19.288 -4.866 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.735 18.420 -5.983 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.542 20.832 -6.657 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.956 19.843 -7.093 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.353 19.446 -7.757 1.00 0.00 H new ATOM 224 N GLU A 31 8.296 15.995 -7.887 1.00 0.00 N ATOM 225 CA GLU A 31 7.894 15.388 -9.171 1.00 0.00 C ATOM 226 C GLU A 31 6.664 14.475 -9.021 1.00 0.00 C ATOM 227 O GLU A 31 5.683 14.610 -9.755 1.00 0.00 O ATOM 228 CB GLU A 31 9.062 14.581 -9.769 1.00 0.00 C ATOM 229 CG GLU A 31 8.841 14.273 -11.258 1.00 0.00 C ATOM 230 CD GLU A 31 9.680 13.072 -11.718 1.00 0.00 C ATOM 231 OE1 GLU A 31 9.094 12.001 -12.001 1.00 0.00 O ATOM 232 OE2 GLU A 31 10.924 13.195 -11.808 1.00 0.00 O1- ATOM 0 H GLU A 31 9.252 15.768 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 31 7.626 16.205 -9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.990 15.140 -9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.178 13.648 -9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.785 14.069 -11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.101 15.148 -11.854 1.00 0.00 H new ATOM 239 N ASN A 32 6.698 13.559 -8.047 1.00 0.00 N ATOM 240 CA ASN A 32 5.579 12.658 -7.772 1.00 0.00 C ATOM 241 C ASN A 32 4.389 13.350 -7.090 1.00 0.00 C ATOM 242 O ASN A 32 3.248 12.938 -7.293 1.00 0.00 O ATOM 243 CB ASN A 32 6.064 11.444 -6.965 1.00 0.00 C ATOM 244 CG ASN A 32 6.821 11.789 -5.685 1.00 0.00 C ATOM 245 OD1 ASN A 32 8.042 11.773 -5.656 1.00 0.00 O ATOM 246 ND2 ASN A 32 6.141 12.120 -4.603 1.00 0.00 N ATOM 0 H ASN A 32 7.499 13.423 -7.431 1.00 0.00 H new ATOM 0 HA ASN A 32 5.201 12.317 -8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.202 10.829 -6.706 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.709 10.837 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.635 12.362 -3.744 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.121 12.134 -4.626 1.00 0.00 H new ATOM 253 N LEU A 33 4.635 14.400 -6.299 1.00 0.00 N ATOM 254 CA LEU A 33 3.616 15.103 -5.512 1.00 0.00 C ATOM 255 C LEU A 33 2.550 15.734 -6.427 1.00 0.00 C ATOM 256 O LEU A 33 1.352 15.621 -6.165 1.00 0.00 O ATOM 257 CB LEU A 33 4.342 16.144 -4.626 1.00 0.00 C ATOM 258 CG LEU A 33 3.833 16.307 -3.180 1.00 0.00 C ATOM 259 CD1 LEU A 33 2.358 16.722 -3.113 1.00 0.00 C ATOM 260 CD2 LEU A 33 4.071 15.037 -2.345 1.00 0.00 C ATOM 0 H LEU A 33 5.569 14.794 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 33 3.074 14.409 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.398 15.877 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.277 17.114 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 33 4.419 17.119 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.055 16.822 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.225 17.677 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.744 15.963 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.699 15.192 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.545 14.198 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.139 14.820 -2.310 1.00 0.00 H new ATOM 272 N TYR A 34 2.979 16.299 -7.559 1.00 0.00 N ATOM 273 CA TYR A 34 2.119 16.880 -8.603 1.00 0.00 C ATOM 274 C TYR A 34 1.126 15.889 -9.250 1.00 0.00 C ATOM 275 O TYR A 34 0.086 16.310 -9.762 1.00 0.00 O ATOM 276 CB TYR A 34 3.023 17.508 -9.679 1.00 0.00 C ATOM 277 CG TYR A 34 3.308 18.984 -9.468 1.00 0.00 C ATOM 278 CD1 TYR A 34 2.892 19.922 -10.434 1.00 0.00 C ATOM 279 CD2 TYR A 34 3.966 19.430 -8.303 1.00 0.00 C ATOM 280 CE1 TYR A 34 3.122 21.297 -10.240 1.00 0.00 C ATOM 281 CE2 TYR A 34 4.196 20.803 -8.099 1.00 0.00 C ATOM 282 CZ TYR A 34 3.773 21.743 -9.066 1.00 0.00 C ATOM 283 OH TYR A 34 3.991 23.073 -8.864 1.00 0.00 O ATOM 0 H TYR A 34 3.971 16.369 -7.785 1.00 0.00 H new ATOM 0 HA TYR A 34 1.491 17.627 -8.117 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.969 16.967 -9.704 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.554 17.376 -10.654 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.393 19.583 -11.330 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.295 18.714 -7.564 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.802 22.010 -10.986 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.696 21.139 -7.203 1.00 0.00 H new ATOM 0 HH TYR A 34 4.448 23.203 -8.007 1.00 0.00 H new ATOM 293 N PHE A 35 1.428 14.586 -9.215 1.00 0.00 N ATOM 294 CA PHE A 35 0.601 13.499 -9.757 1.00 0.00 C ATOM 295 C PHE A 35 -0.007 12.599 -8.655 1.00 0.00 C ATOM 296 O PHE A 35 -0.487 11.504 -8.957 1.00 0.00 O ATOM 297 CB PHE A 35 1.450 12.699 -10.758 1.00 0.00 C ATOM 298 CG PHE A 35 1.575 13.289 -12.147 1.00 0.00 C ATOM 299 CD1 PHE A 35 0.754 12.803 -13.183 1.00 0.00 C ATOM 300 CD2 PHE A 35 2.543 14.272 -12.424 1.00 0.00 C ATOM 301 CE1 PHE A 35 0.901 13.294 -14.492 1.00 0.00 C ATOM 302 CE2 PHE A 35 2.686 14.767 -13.733 1.00 0.00 C ATOM 303 CZ PHE A 35 1.868 14.277 -14.767 1.00 0.00 C ATOM 0 H PHE A 35 2.291 14.245 -8.791 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.259 13.931 -10.269 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.451 12.583 -10.343 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.024 11.699 -10.847 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.009 12.050 -12.971 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.175 14.646 -11.633 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.272 12.917 -15.285 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.426 15.525 -13.945 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.983 14.656 -15.772 1.00 0.00 H new ATOM 313 N GLN A 36 0.001 13.051 -7.392 1.00 0.00 N ATOM 314 CA GLN A 36 -0.628 12.394 -6.233 1.00 0.00 C ATOM 315 C GLN A 36 0.181 11.157 -5.780 1.00 0.00 C ATOM 316 O GLN A 36 1.214 10.812 -6.358 1.00 0.00 O ATOM 317 CB GLN A 36 -2.109 12.060 -6.557 1.00 0.00 C ATOM 318 CG GLN A 36 -3.096 12.172 -5.379 1.00 0.00 C ATOM 319 CD GLN A 36 -4.270 13.098 -5.723 1.00 0.00 C ATOM 320 OE1 GLN A 36 -5.157 12.769 -6.502 1.00 0.00 O ATOM 321 NE2 GLN A 36 -4.299 14.311 -5.205 1.00 0.00 N ATOM 0 H GLN A 36 0.466 13.923 -7.138 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.623 13.080 -5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.446 12.725 -7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.155 11.044 -6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.474 11.182 -5.122 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.575 12.552 -4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.571 14.605 -4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.050 14.954 -5.455 1.00 0.00 H new ATOM 330 N SER A 37 -0.286 10.438 -4.756 1.00 0.00 N ATOM 331 CA SER A 37 0.392 9.222 -4.272 1.00 0.00 C ATOM 332 C SER A 37 0.483 8.120 -5.347 1.00 0.00 C ATOM 333 O SER A 37 1.399 7.298 -5.303 1.00 0.00 O ATOM 334 CB SER A 37 -0.300 8.689 -3.012 1.00 0.00 C ATOM 335 OG SER A 37 -0.429 9.704 -2.024 1.00 0.00 O ATOM 0 H SER A 37 -1.134 10.674 -4.241 1.00 0.00 H new ATOM 0 HA SER A 37 1.415 9.507 -4.028 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.286 8.304 -3.272 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.272 7.854 -2.606 1.00 0.00 H new ATOM 0 HG SER A 37 -0.875 9.336 -1.233 1.00 0.00 H new ATOM 341 N MET A 38 -0.393 8.156 -6.364 1.00 0.00 N ATOM 342 CA MET A 38 -0.322 7.336 -7.582 1.00 0.00 C ATOM 343 C MET A 38 1.044 7.403 -8.271 1.00 0.00 C ATOM 344 O MET A 38 1.608 6.356 -8.574 1.00 0.00 O ATOM 345 CB MET A 38 -1.421 7.765 -8.568 1.00 0.00 C ATOM 346 CG MET A 38 -2.807 7.250 -8.153 1.00 0.00 C ATOM 347 SD MET A 38 -3.593 6.128 -9.345 1.00 0.00 S ATOM 348 CE MET A 38 -2.465 4.711 -9.258 1.00 0.00 C ATOM 0 H MET A 38 -1.200 8.780 -6.359 1.00 0.00 H new ATOM 0 HA MET A 38 -0.473 6.302 -7.273 1.00 0.00 H new ATOM 0 HB2 MET A 38 -1.444 8.853 -8.633 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.180 7.392 -9.563 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.716 6.735 -7.197 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.464 8.105 -7.993 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.779 3.952 -9.974 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.452 5.037 -9.495 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.485 4.291 -8.252 1.00 0.00 H new ATOM 358 N ARG A 39 1.630 8.585 -8.486 1.00 0.00 N ATOM 359 CA ARG A 39 2.994 8.658 -9.033 1.00 0.00 C ATOM 360 C ARG A 39 4.033 8.281 -7.975 1.00 0.00 C ATOM 361 O ARG A 39 5.003 7.606 -8.307 1.00 0.00 O ATOM 362 CB ARG A 39 3.242 10.039 -9.643 1.00 0.00 C ATOM 363 CG ARG A 39 4.580 10.210 -10.390 1.00 0.00 C ATOM 364 CD ARG A 39 4.657 9.454 -11.724 1.00 0.00 C ATOM 365 NE ARG A 39 3.838 10.109 -12.762 1.00 0.00 N ATOM 366 CZ ARG A 39 3.441 9.581 -13.914 1.00 0.00 C ATOM 367 NH1 ARG A 39 3.698 8.331 -14.240 1.00 0.00 N1+ ATOM 368 NH2 ARG A 39 2.772 10.322 -14.770 1.00 0.00 N ATOM 0 H ARG A 39 1.195 9.488 -8.296 1.00 0.00 H new ATOM 0 HA ARG A 39 3.098 7.926 -9.834 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.430 10.261 -10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.194 10.782 -8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.746 11.271 -10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.390 9.869 -9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.694 9.403 -12.055 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.316 8.428 -11.583 1.00 0.00 H new ATOM 0 HE ARG A 39 3.546 11.068 -12.575 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.219 7.733 -13.598 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.376 7.961 -15.134 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.562 11.295 -14.547 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.464 9.924 -15.657 1.00 0.00 H new ATOM 382 N ALA A 40 3.828 8.642 -6.703 1.00 0.00 N ATOM 383 CA ALA A 40 4.774 8.327 -5.624 1.00 0.00 C ATOM 384 C ALA A 40 5.043 6.819 -5.530 1.00 0.00 C ATOM 385 O ALA A 40 6.198 6.406 -5.552 1.00 0.00 O ATOM 386 CB ALA A 40 4.258 8.915 -4.303 1.00 0.00 C ATOM 0 H ALA A 40 3.005 9.159 -6.392 1.00 0.00 H new ATOM 0 HA ALA A 40 5.736 8.788 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.960 8.681 -3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.163 9.997 -4.399 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.284 8.485 -4.069 1.00 0.00 H new ATOM 392 N GLN A 41 3.994 5.997 -5.514 1.00 0.00 N ATOM 393 CA GLN A 41 4.103 4.535 -5.451 1.00 0.00 C ATOM 394 C GLN A 41 4.613 3.897 -6.757 1.00 0.00 C ATOM 395 O GLN A 41 5.450 2.994 -6.697 1.00 0.00 O ATOM 396 CB GLN A 41 2.751 3.967 -4.996 1.00 0.00 C ATOM 397 CG GLN A 41 1.617 4.154 -6.023 1.00 0.00 C ATOM 398 CD GLN A 41 0.206 4.212 -5.436 1.00 0.00 C ATOM 399 OE1 GLN A 41 -0.030 4.608 -4.307 1.00 0.00 O ATOM 400 NE2 GLN A 41 -0.797 3.798 -6.183 1.00 0.00 N ATOM 0 H GLN A 41 3.030 6.330 -5.545 1.00 0.00 H new ATOM 0 HA GLN A 41 4.869 4.274 -4.721 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.867 2.904 -4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.463 4.446 -4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.800 5.074 -6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.661 3.335 -6.741 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.623 3.463 -7.130 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.748 3.813 -5.814 1.00 0.00 H new ATOM 409 N LEU A 42 4.174 4.381 -7.931 1.00 0.00 N ATOM 410 CA LEU A 42 4.651 3.884 -9.232 1.00 0.00 C ATOM 411 C LEU A 42 6.140 4.186 -9.447 1.00 0.00 C ATOM 412 O LEU A 42 6.842 3.377 -10.048 1.00 0.00 O ATOM 413 CB LEU A 42 3.796 4.476 -10.378 1.00 0.00 C ATOM 414 CG LEU A 42 2.595 3.629 -10.861 1.00 0.00 C ATOM 415 CD1 LEU A 42 3.065 2.357 -11.585 1.00 0.00 C ATOM 416 CD2 LEU A 42 1.608 3.239 -9.753 1.00 0.00 C ATOM 0 H LEU A 42 3.481 5.125 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 42 4.540 2.800 -9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.419 5.446 -10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.450 4.656 -11.231 1.00 0.00 H new ATOM 0 HG LEU A 42 2.059 4.282 -11.550 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.198 1.783 -11.912 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.666 2.633 -12.452 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.665 1.752 -10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.798 2.647 -10.179 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.126 2.652 -8.994 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.198 4.140 -9.297 1.00 0.00 H new ATOM 428 N ILE A 43 6.645 5.315 -8.942 1.00 0.00 N ATOM 429 CA ILE A 43 8.076 5.658 -8.986 1.00 0.00 C ATOM 430 C ILE A 43 8.862 4.923 -7.888 1.00 0.00 C ATOM 431 O ILE A 43 9.863 4.282 -8.210 1.00 0.00 O ATOM 432 CB ILE A 43 8.244 7.199 -8.972 1.00 0.00 C ATOM 433 CG1 ILE A 43 7.624 7.863 -10.230 1.00 0.00 C ATOM 434 CG2 ILE A 43 9.710 7.646 -8.830 1.00 0.00 C ATOM 435 CD1 ILE A 43 8.110 7.350 -11.593 1.00 0.00 C ATOM 0 H ILE A 43 6.071 6.025 -8.487 1.00 0.00 H new ATOM 0 HA ILE A 43 8.513 5.307 -9.921 1.00 0.00 H new ATOM 0 HB ILE A 43 7.703 7.534 -8.087 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.543 7.734 -10.184 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.820 8.934 -10.180 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.760 8.735 -8.827 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.119 7.261 -7.896 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.291 7.259 -9.667 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.601 7.894 -12.389 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.186 7.505 -11.678 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.889 6.286 -11.681 1.00 0.00 H new ATOM 447 N GLU A 44 8.394 4.934 -6.635 1.00 0.00 N ATOM 448 CA GLU A 44 9.060 4.312 -5.475 1.00 0.00 C ATOM 449 C GLU A 44 9.438 2.841 -5.712 1.00 0.00 C ATOM 450 O GLU A 44 10.513 2.422 -5.281 1.00 0.00 O ATOM 451 CB GLU A 44 8.152 4.442 -4.236 1.00 0.00 C ATOM 452 CG GLU A 44 8.613 3.713 -2.961 1.00 0.00 C ATOM 453 CD GLU A 44 9.982 4.168 -2.420 1.00 0.00 C ATOM 454 OE1 GLU A 44 10.354 5.356 -2.577 1.00 0.00 O ATOM 455 OE2 GLU A 44 10.671 3.347 -1.769 1.00 0.00 O1- ATOM 0 H GLU A 44 7.515 5.389 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 44 9.998 4.844 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.045 5.501 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.161 4.072 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.863 3.859 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.655 2.643 -3.165 1.00 0.00 H new ATOM 462 N ARG A 45 8.588 2.069 -6.406 1.00 0.00 N ATOM 463 CA ARG A 45 8.913 0.699 -6.828 1.00 0.00 C ATOM 464 C ARG A 45 9.402 0.663 -8.285 1.00 0.00 C ATOM 465 O ARG A 45 10.489 0.155 -8.568 1.00 0.00 O ATOM 466 CB ARG A 45 7.699 -0.217 -6.558 1.00 0.00 C ATOM 467 CG ARG A 45 8.088 -1.693 -6.357 1.00 0.00 C ATOM 468 CD ARG A 45 8.386 -2.446 -7.659 1.00 0.00 C ATOM 469 NE ARG A 45 9.126 -3.691 -7.398 1.00 0.00 N ATOM 470 CZ ARG A 45 9.624 -4.506 -8.319 1.00 0.00 C ATOM 471 NH1 ARG A 45 9.433 -4.301 -9.605 1.00 0.00 N1+ ATOM 472 NH2 ARG A 45 10.337 -5.547 -7.961 1.00 0.00 N ATOM 0 H ARG A 45 7.658 2.377 -6.690 1.00 0.00 H new ATOM 0 HA ARG A 45 9.747 0.317 -6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.174 0.138 -5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.002 -0.142 -7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.966 -1.741 -5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.280 -2.202 -5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.452 -2.676 -8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.966 -1.808 -8.326 1.00 0.00 H new ATOM 0 HE ARG A 45 9.269 -3.951 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.889 -3.497 -9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.829 -4.946 -10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.510 -5.731 -6.973 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.719 -6.172 -8.671 1.00 0.00 H new ATOM 486 N GLY A 46 8.616 1.184 -9.232 1.00 0.00 N ATOM 487 CA GLY A 46 8.831 0.978 -10.673 1.00 0.00 C ATOM 488 C GLY A 46 10.030 1.729 -11.251 1.00 0.00 C ATOM 489 O GLY A 46 10.583 1.281 -12.253 1.00 0.00 O ATOM 0 H GLY A 46 7.805 1.766 -9.021 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.963 -0.088 -10.859 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.933 1.286 -11.209 1.00 0.00 H new ATOM 493 N GLN A 47 10.471 2.826 -10.629 1.00 0.00 N ATOM 494 CA GLN A 47 11.695 3.539 -11.016 1.00 0.00 C ATOM 495 C GLN A 47 12.910 3.046 -10.212 1.00 0.00 C ATOM 496 O GLN A 47 14.013 2.994 -10.751 1.00 0.00 O ATOM 497 CB GLN A 47 11.467 5.054 -10.875 1.00 0.00 C ATOM 498 CG GLN A 47 12.327 5.923 -11.808 1.00 0.00 C ATOM 499 CD GLN A 47 13.782 6.086 -11.363 1.00 0.00 C ATOM 500 OE1 GLN A 47 14.077 6.752 -10.378 1.00 0.00 O ATOM 501 NE2 GLN A 47 14.740 5.513 -12.063 1.00 0.00 N ATOM 0 H GLN A 47 9.986 3.248 -9.837 1.00 0.00 H new ATOM 0 HA GLN A 47 11.923 3.326 -12.060 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.416 5.269 -11.067 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.668 5.343 -9.844 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.313 5.486 -12.806 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.872 6.910 -11.886 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.507 4.956 -12.885 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.714 5.626 -11.783 1.00 0.00 H new ATOM 510 N LEU A 48 12.727 2.597 -8.962 1.00 0.00 N ATOM 511 CA LEU A 48 13.786 1.907 -8.212 1.00 0.00 C ATOM 512 C LEU A 48 14.290 0.659 -8.956 1.00 0.00 C ATOM 513 O LEU A 48 15.490 0.378 -8.946 1.00 0.00 O ATOM 514 CB LEU A 48 13.267 1.586 -6.798 1.00 0.00 C ATOM 515 CG LEU A 48 14.261 0.840 -5.884 1.00 0.00 C ATOM 516 CD1 LEU A 48 15.554 1.634 -5.639 1.00 0.00 C ATOM 517 CD2 LEU A 48 13.587 0.537 -4.541 1.00 0.00 C ATOM 0 H LEU A 48 11.852 2.700 -8.448 1.00 0.00 H new ATOM 0 HA LEU A 48 14.653 2.561 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.983 2.520 -6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.362 0.986 -6.889 1.00 0.00 H new ATOM 0 HG LEU A 48 14.540 -0.082 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.216 1.061 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.052 1.821 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.313 2.584 -5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.287 0.010 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.286 1.471 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.708 -0.085 -4.707 1.00 0.00 H new ATOM 529 N ILE A 49 13.393 -0.065 -9.635 1.00 0.00 N ATOM 530 CA ILE A 49 13.759 -1.180 -10.524 1.00 0.00 C ATOM 531 C ILE A 49 14.168 -0.692 -11.930 1.00 0.00 C ATOM 532 O ILE A 49 15.254 -1.053 -12.388 1.00 0.00 O ATOM 533 CB ILE A 49 12.645 -2.260 -10.498 1.00 0.00 C ATOM 534 CG1 ILE A 49 12.847 -3.222 -9.301 1.00 0.00 C ATOM 535 CG2 ILE A 49 12.605 -3.117 -11.775 1.00 0.00 C ATOM 536 CD1 ILE A 49 12.598 -2.613 -7.915 1.00 0.00 C ATOM 0 H ILE A 49 12.388 0.104 -9.585 1.00 0.00 H new ATOM 0 HA ILE A 49 14.661 -1.665 -10.151 1.00 0.00 H new ATOM 0 HB ILE A 49 11.708 -1.710 -10.414 1.00 0.00 H new ATOM 0 HG12 ILE A 49 12.182 -4.077 -9.428 1.00 0.00 H new ATOM 0 HG13 ILE A 49 13.867 -3.604 -9.333 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.805 -3.853 -11.694 1.00 0.00 H new ATOM 0 HG22 ILE A 49 12.423 -2.476 -12.638 1.00 0.00 H new ATOM 0 HG23 ILE A 49 13.559 -3.630 -11.899 1.00 0.00 H new ATOM 0 HD11 ILE A 49 12.767 -3.370 -7.149 1.00 0.00 H new ATOM 0 HD12 ILE A 49 13.280 -1.778 -7.757 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.569 -2.258 -7.853 1.00 0.00 H new ATOM 548 N ALA A 50 13.351 0.125 -12.611 1.00 0.00 N ATOM 549 CA ALA A 50 13.573 0.537 -14.007 1.00 0.00 C ATOM 550 C ALA A 50 13.035 1.960 -14.291 1.00 0.00 C ATOM 551 O ALA A 50 13.572 2.932 -13.757 1.00 0.00 O ATOM 552 CB ALA A 50 13.010 -0.565 -14.929 1.00 0.00 C ATOM 0 H ALA A 50 12.506 0.524 -12.203 1.00 0.00 H new ATOM 0 HA ALA A 50 14.639 0.629 -14.213 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.163 -0.282 -15.970 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.525 -1.505 -14.729 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.944 -0.688 -14.740 1.00 0.00 H new ATOM 558 N GLU A 51 11.993 2.102 -15.119 1.00 0.00 N ATOM 559 CA GLU A 51 11.300 3.366 -15.403 1.00 0.00 C ATOM 560 C GLU A 51 9.836 3.114 -15.811 1.00 0.00 C ATOM 561 O GLU A 51 9.546 2.804 -16.966 1.00 0.00 O ATOM 562 CB GLU A 51 12.021 4.181 -16.500 1.00 0.00 C ATOM 563 CG GLU A 51 13.196 5.023 -15.985 1.00 0.00 C ATOM 564 CD GLU A 51 13.370 6.296 -16.824 1.00 0.00 C ATOM 565 OE1 GLU A 51 12.662 7.292 -16.539 1.00 0.00 O ATOM 566 OE2 GLU A 51 14.204 6.307 -17.760 1.00 0.00 O1- ATOM 0 H GLU A 51 11.595 1.313 -15.628 1.00 0.00 H new ATOM 0 HA GLU A 51 11.314 3.950 -14.483 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.387 3.496 -17.265 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.299 4.841 -16.981 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.026 5.291 -14.942 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.112 4.434 -16.018 1.00 0.00 H new ATOM 573 N GLN A 52 8.913 3.279 -14.852 1.00 0.00 N ATOM 574 CA GLN A 52 7.459 3.432 -15.067 1.00 0.00 C ATOM 575 C GLN A 52 6.790 2.233 -15.787 1.00 0.00 C ATOM 576 O GLN A 52 5.795 2.404 -16.498 1.00 0.00 O ATOM 577 CB GLN A 52 7.151 4.782 -15.761 1.00 0.00 C ATOM 578 CG GLN A 52 7.807 6.024 -15.118 1.00 0.00 C ATOM 579 CD GLN A 52 9.064 6.514 -15.853 1.00 0.00 C ATOM 580 OE1 GLN A 52 9.077 6.704 -17.064 1.00 0.00 O ATOM 581 NE2 GLN A 52 10.164 6.750 -15.164 1.00 0.00 N ATOM 0 H GLN A 52 9.165 3.311 -13.864 1.00 0.00 H new ATOM 0 HA GLN A 52 7.003 3.439 -14.077 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.474 4.719 -16.800 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.071 4.927 -15.771 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.077 6.833 -15.087 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.069 5.791 -14.086 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.176 6.599 -14.155 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.002 7.084 -15.640 1.00 0.00 H new ATOM 590 N LEU A 53 7.343 1.021 -15.628 1.00 0.00 N ATOM 591 CA LEU A 53 6.969 -0.180 -16.395 1.00 0.00 C ATOM 592 C LEU A 53 6.570 -1.370 -15.512 1.00 0.00 C ATOM 593 O LEU A 53 5.544 -2.004 -15.764 1.00 0.00 O ATOM 594 CB LEU A 53 8.152 -0.546 -17.323 1.00 0.00 C ATOM 595 CG LEU A 53 7.852 -0.237 -18.802 1.00 0.00 C ATOM 596 CD1 LEU A 53 9.156 -0.199 -19.610 1.00 0.00 C ATOM 597 CD2 LEU A 53 6.906 -1.292 -19.399 1.00 0.00 C ATOM 0 H LEU A 53 8.081 0.843 -14.946 1.00 0.00 H new ATOM 0 HA LEU A 53 6.078 0.051 -16.978 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.039 0.005 -17.012 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.381 -1.606 -17.215 1.00 0.00 H new ATOM 0 HG LEU A 53 7.367 0.738 -18.853 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.931 0.020 -20.654 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.810 0.576 -19.209 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.655 -1.166 -19.542 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.708 -1.053 -20.444 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.370 -2.276 -19.333 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.968 -1.295 -18.844 1.00 0.00 H new ATOM 609 N ALA A 54 7.361 -1.671 -14.477 1.00 0.00 N ATOM 610 CA ALA A 54 7.097 -2.763 -13.539 1.00 0.00 C ATOM 611 C ALA A 54 5.803 -2.532 -12.713 1.00 0.00 C ATOM 612 O ALA A 54 5.430 -1.373 -12.489 1.00 0.00 O ATOM 613 CB ALA A 54 8.339 -2.921 -12.649 1.00 0.00 C ATOM 0 H ALA A 54 8.215 -1.154 -14.266 1.00 0.00 H new ATOM 0 HA ALA A 54 6.916 -3.687 -14.088 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.175 -3.729 -11.936 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.204 -3.154 -13.270 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.520 -1.992 -12.109 1.00 0.00 H new ATOM 619 N PRO A 55 5.126 -3.603 -12.241 1.00 0.00 N ATOM 620 CA PRO A 55 3.865 -3.499 -11.506 1.00 0.00 C ATOM 621 C PRO A 55 4.032 -2.821 -10.140 1.00 0.00 C ATOM 622 O PRO A 55 5.109 -2.843 -9.543 1.00 0.00 O ATOM 623 CB PRO A 55 3.337 -4.931 -11.365 1.00 0.00 C ATOM 624 CG PRO A 55 4.596 -5.791 -11.461 1.00 0.00 C ATOM 625 CD PRO A 55 5.472 -5.007 -12.435 1.00 0.00 C ATOM 0 HA PRO A 55 3.161 -2.866 -12.046 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.824 -5.077 -10.415 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.624 -5.175 -12.153 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.078 -5.911 -10.491 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.374 -6.791 -11.833 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.530 -5.180 -12.236 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.287 -5.317 -13.464 1.00 0.00 H new ATOM 633 N LEU A 56 2.936 -2.236 -9.644 1.00 0.00 N ATOM 634 CA LEU A 56 2.887 -1.534 -8.359 1.00 0.00 C ATOM 635 C LEU A 56 2.551 -2.459 -7.178 1.00 0.00 C ATOM 636 O LEU A 56 3.193 -2.352 -6.136 1.00 0.00 O ATOM 637 CB LEU A 56 1.938 -0.315 -8.450 1.00 0.00 C ATOM 638 CG LEU A 56 0.459 -0.580 -8.829 1.00 0.00 C ATOM 639 CD1 LEU A 56 -0.467 0.421 -8.123 1.00 0.00 C ATOM 640 CD2 LEU A 56 0.221 -0.502 -10.346 1.00 0.00 C ATOM 0 H LEU A 56 2.042 -2.238 -10.135 1.00 0.00 H new ATOM 0 HA LEU A 56 3.891 -1.165 -8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.951 0.193 -7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.352 0.379 -9.181 1.00 0.00 H new ATOM 0 HG LEU A 56 0.231 -1.594 -8.501 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.501 0.219 -8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.356 0.321 -7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.202 1.435 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.830 -0.695 -10.560 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.488 0.492 -10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.836 -1.247 -10.850 1.00 0.00 H new ATOM 652 N ALA A 57 1.579 -3.370 -7.333 1.00 0.00 N ATOM 653 CA ALA A 57 1.105 -4.252 -6.258 1.00 0.00 C ATOM 654 C ALA A 57 1.520 -5.716 -6.437 1.00 0.00 C ATOM 655 O ALA A 57 1.915 -6.345 -5.462 1.00 0.00 O ATOM 656 CB ALA A 57 -0.423 -4.135 -6.157 1.00 0.00 C ATOM 0 H ALA A 57 1.095 -3.516 -8.219 1.00 0.00 H new ATOM 0 HA ALA A 57 1.579 -3.923 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.786 -4.786 -5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.695 -3.103 -5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.874 -4.433 -7.104 1.00 0.00 H new ATOM 662 N ALA A 58 1.461 -6.262 -7.659 1.00 0.00 N ATOM 663 CA ALA A 58 1.669 -7.696 -7.912 1.00 0.00 C ATOM 664 C ALA A 58 3.033 -8.207 -7.405 1.00 0.00 C ATOM 665 O ALA A 58 3.108 -9.271 -6.786 1.00 0.00 O ATOM 666 CB ALA A 58 1.490 -7.948 -9.416 1.00 0.00 C ATOM 0 H ALA A 58 1.267 -5.722 -8.502 1.00 0.00 H new ATOM 0 HA ALA A 58 0.929 -8.262 -7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.640 -9.007 -9.628 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.484 -7.657 -9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.219 -7.360 -9.973 1.00 0.00 H new ATOM 672 N THR A 59 4.092 -7.414 -7.620 1.00 0.00 N ATOM 673 CA THR A 59 5.448 -7.655 -7.099 1.00 0.00 C ATOM 674 C THR A 59 5.566 -7.301 -5.620 1.00 0.00 C ATOM 675 O THR A 59 6.063 -8.112 -4.844 1.00 0.00 O ATOM 676 CB THR A 59 6.483 -6.917 -7.958 1.00 0.00 C ATOM 677 OG1 THR A 59 7.768 -7.206 -7.459 1.00 0.00 O ATOM 678 CG2 THR A 59 6.309 -5.395 -7.972 1.00 0.00 C ATOM 0 H THR A 59 4.029 -6.562 -8.177 1.00 0.00 H new ATOM 0 HA THR A 59 5.654 -8.723 -7.167 1.00 0.00 H new ATOM 0 HB THR A 59 6.343 -7.264 -8.982 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.388 -7.336 -8.207 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.078 -4.947 -8.601 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.325 -5.145 -8.368 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.400 -5.009 -6.957 1.00 0.00 H new ATOM 686 N ALA A 60 5.074 -6.128 -5.209 1.00 0.00 N ATOM 687 CA ALA A 60 5.232 -5.607 -3.852 1.00 0.00 C ATOM 688 C ALA A 60 4.534 -6.479 -2.796 1.00 0.00 C ATOM 689 O ALA A 60 5.059 -6.646 -1.697 1.00 0.00 O ATOM 690 CB ALA A 60 4.720 -4.166 -3.831 1.00 0.00 C ATOM 0 H ALA A 60 4.547 -5.506 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 60 6.288 -5.629 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.828 -3.756 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.298 -3.564 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.669 -4.149 -4.118 1.00 0.00 H new ATOM 696 N LEU A 61 3.383 -7.067 -3.135 1.00 0.00 N ATOM 697 CA LEU A 61 2.626 -7.989 -2.285 1.00 0.00 C ATOM 698 C LEU A 61 3.332 -9.351 -2.219 1.00 0.00 C ATOM 699 O LEU A 61 3.456 -9.914 -1.134 1.00 0.00 O ATOM 700 CB LEU A 61 1.186 -8.059 -2.843 1.00 0.00 C ATOM 701 CG LEU A 61 0.072 -8.651 -1.953 1.00 0.00 C ATOM 702 CD1 LEU A 61 0.233 -10.150 -1.670 1.00 0.00 C ATOM 703 CD2 LEU A 61 -0.094 -7.877 -0.636 1.00 0.00 C ATOM 0 H LEU A 61 2.938 -6.909 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 61 2.574 -7.641 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.888 -7.047 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.217 -8.641 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.838 -8.537 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.588 -10.491 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.221 -10.701 -2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.180 -10.324 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.889 -8.331 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.840 -7.910 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.351 -6.840 -0.853 1.00 0.00 H new ATOM 715 N ALA A 62 3.883 -9.839 -3.338 1.00 0.00 N ATOM 716 CA ALA A 62 4.653 -11.087 -3.391 1.00 0.00 C ATOM 717 C ALA A 62 5.915 -11.057 -2.501 1.00 0.00 C ATOM 718 O ALA A 62 6.229 -12.067 -1.867 1.00 0.00 O ATOM 719 CB ALA A 62 4.989 -11.393 -4.858 1.00 0.00 C ATOM 0 H ALA A 62 3.805 -9.373 -4.242 1.00 0.00 H new ATOM 0 HA ALA A 62 4.041 -11.890 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.562 -12.319 -4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.066 -11.502 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.578 -10.576 -5.274 1.00 0.00 H new ATOM 725 N ARG A 63 6.599 -9.905 -2.402 1.00 0.00 N ATOM 726 CA ARG A 63 7.699 -9.676 -1.441 1.00 0.00 C ATOM 727 C ARG A 63 7.239 -9.152 -0.065 1.00 0.00 C ATOM 728 O ARG A 63 8.027 -9.144 0.878 1.00 0.00 O ATOM 729 CB ARG A 63 8.774 -8.765 -2.058 1.00 0.00 C ATOM 730 CG ARG A 63 8.301 -7.327 -2.322 1.00 0.00 C ATOM 731 CD ARG A 63 9.422 -6.423 -2.841 1.00 0.00 C ATOM 732 NE ARG A 63 9.966 -6.902 -4.124 1.00 0.00 N ATOM 733 CZ ARG A 63 11.198 -6.692 -4.568 1.00 0.00 C ATOM 734 NH1 ARG A 63 12.025 -5.862 -3.968 1.00 0.00 N1+ ATOM 735 NH2 ARG A 63 11.616 -7.321 -5.645 1.00 0.00 N ATOM 0 H ARG A 63 6.404 -9.096 -2.992 1.00 0.00 H new ATOM 0 HA ARG A 63 8.132 -10.656 -1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.636 -8.736 -1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.111 -9.203 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.488 -7.344 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.898 -6.907 -1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.043 -5.409 -2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.222 -6.377 -2.102 1.00 0.00 H new ATOM 0 HE ARG A 63 9.341 -7.442 -4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.725 -5.357 -3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.966 -5.724 -4.337 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.994 -7.965 -6.133 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.562 -7.164 -5.992 1.00 0.00 H new ATOM 749 N LYS A 64 5.977 -8.724 0.060 1.00 0.00 N ATOM 750 CA LYS A 64 5.314 -8.261 1.294 1.00 0.00 C ATOM 751 C LYS A 64 5.824 -6.879 1.792 1.00 0.00 C ATOM 752 O LYS A 64 5.864 -6.604 2.994 1.00 0.00 O ATOM 753 CB LYS A 64 5.359 -9.392 2.354 1.00 0.00 C ATOM 754 CG LYS A 64 4.107 -9.499 3.243 1.00 0.00 C ATOM 755 CD LYS A 64 2.815 -9.931 2.516 1.00 0.00 C ATOM 756 CE LYS A 64 2.912 -11.215 1.674 1.00 0.00 C ATOM 757 NZ LYS A 64 3.236 -12.419 2.484 1.00 0.00 N1+ ATOM 0 H LYS A 64 5.350 -8.688 -0.744 1.00 0.00 H new ATOM 0 HA LYS A 64 4.265 -8.060 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.506 -10.343 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.228 -9.236 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.310 -10.211 4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.933 -8.532 3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.031 -10.067 3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.498 -9.116 1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.966 -11.376 1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.676 -11.083 0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.947 -13.274 1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.260 -12.452 2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.728 -12.375 3.390 1.00 0.00 H new ATOM 771 N ASP A 65 6.227 -5.994 0.871 1.00 0.00 N ATOM 772 CA ASP A 65 6.846 -4.686 1.156 1.00 0.00 C ATOM 773 C ASP A 65 5.802 -3.615 1.530 1.00 0.00 C ATOM 774 O ASP A 65 5.458 -2.736 0.732 1.00 0.00 O ATOM 775 CB ASP A 65 7.745 -4.234 -0.015 1.00 0.00 C ATOM 776 CG ASP A 65 9.180 -4.790 0.032 1.00 0.00 C ATOM 777 OD1 ASP A 65 9.413 -5.872 0.615 1.00 0.00 O ATOM 778 OD2 ASP A 65 10.074 -4.134 -0.553 1.00 0.00 O1- ATOM 0 H ASP A 65 6.129 -6.172 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 65 7.482 -4.810 2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.281 -4.540 -0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.791 -3.145 -0.022 1.00 0.00 H new ATOM 783 N THR A 66 5.353 -3.665 2.793 1.00 0.00 N ATOM 784 CA THR A 66 4.420 -2.715 3.442 1.00 0.00 C ATOM 785 C THR A 66 4.804 -1.241 3.252 1.00 0.00 C ATOM 786 O THR A 66 3.920 -0.392 3.240 1.00 0.00 O ATOM 787 CB THR A 66 4.234 -3.095 4.917 1.00 0.00 C ATOM 788 OG1 THR A 66 3.611 -4.360 4.965 1.00 0.00 O ATOM 789 CG2 THR A 66 3.310 -2.149 5.679 1.00 0.00 C ATOM 0 H THR A 66 5.643 -4.408 3.429 1.00 0.00 H new ATOM 0 HA THR A 66 3.459 -2.805 2.936 1.00 0.00 H new ATOM 0 HB THR A 66 5.223 -3.064 5.374 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.198 -4.488 5.844 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.225 -2.479 6.714 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.720 -1.140 5.652 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.324 -2.152 5.215 1.00 0.00 H new ATOM 797 N ALA A 67 6.084 -0.931 3.012 1.00 0.00 N ATOM 798 CA ALA A 67 6.575 0.408 2.671 1.00 0.00 C ATOM 799 C ALA A 67 5.804 1.042 1.500 1.00 0.00 C ATOM 800 O ALA A 67 5.281 2.147 1.640 1.00 0.00 O ATOM 801 CB ALA A 67 8.074 0.303 2.347 1.00 0.00 C ATOM 0 H ALA A 67 6.829 -1.627 3.051 1.00 0.00 H new ATOM 0 HA ALA A 67 6.414 1.066 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.461 1.289 2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.608 -0.081 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.218 -0.374 1.505 1.00 0.00 H new ATOM 807 N VAL A 68 5.706 0.341 0.368 1.00 0.00 N ATOM 808 CA VAL A 68 4.926 0.779 -0.807 1.00 0.00 C ATOM 809 C VAL A 68 3.495 0.221 -0.781 1.00 0.00 C ATOM 810 O VAL A 68 2.588 0.869 -1.308 1.00 0.00 O ATOM 811 CB VAL A 68 5.669 0.471 -2.132 1.00 0.00 C ATOM 812 CG1 VAL A 68 5.901 -1.029 -2.360 1.00 0.00 C ATOM 813 CG2 VAL A 68 4.949 1.081 -3.347 1.00 0.00 C ATOM 0 H VAL A 68 6.169 -0.558 0.233 1.00 0.00 H new ATOM 0 HA VAL A 68 4.830 1.863 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 68 6.647 0.940 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.425 -1.177 -3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.501 -1.432 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.941 -1.545 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.502 0.842 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.942 0.670 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.892 2.163 -3.231 1.00 0.00 H new ATOM 823 N LEU A 69 3.256 -0.917 -0.105 1.00 0.00 N ATOM 824 CA LEU A 69 1.908 -1.465 0.079 1.00 0.00 C ATOM 825 C LEU A 69 0.986 -0.487 0.824 1.00 0.00 C ATOM 826 O LEU A 69 -0.172 -0.354 0.447 1.00 0.00 O ATOM 827 CB LEU A 69 1.953 -2.865 0.730 1.00 0.00 C ATOM 828 CG LEU A 69 1.482 -4.039 -0.156 1.00 0.00 C ATOM 829 CD1 LEU A 69 0.028 -3.927 -0.651 1.00 0.00 C ATOM 830 CD2 LEU A 69 2.451 -4.219 -1.326 1.00 0.00 C ATOM 0 H LEU A 69 3.991 -1.478 0.326 1.00 0.00 H new ATOM 0 HA LEU A 69 1.467 -1.596 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.977 -3.063 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.338 -2.845 1.630 1.00 0.00 H new ATOM 0 HG LEU A 69 1.489 -4.925 0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.215 -4.794 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.646 -3.888 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.086 -3.019 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.117 -5.048 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.478 -3.305 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.449 -4.432 -0.943 1.00 0.00 H new ATOM 842 N ASN A 70 1.503 0.291 1.782 1.00 0.00 N ATOM 843 CA ASN A 70 0.784 1.406 2.412 1.00 0.00 C ATOM 844 C ASN A 70 0.235 2.414 1.382 1.00 0.00 C ATOM 845 O ASN A 70 -0.956 2.728 1.407 1.00 0.00 O ATOM 846 CB ASN A 70 1.709 2.089 3.443 1.00 0.00 C ATOM 847 CG ASN A 70 1.360 3.563 3.666 1.00 0.00 C ATOM 848 OD1 ASN A 70 0.333 3.923 4.218 1.00 0.00 O ATOM 849 ND2 ASN A 70 2.164 4.465 3.140 1.00 0.00 N ATOM 0 H ASN A 70 2.447 0.162 2.147 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.090 1.004 2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.644 1.557 4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.742 2.012 3.105 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.926 5.455 3.196 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.025 4.173 2.677 1.00 0.00 H new ATOM 856 N ARG A 71 1.084 2.919 0.475 1.00 0.00 N ATOM 857 CA ARG A 71 0.687 3.934 -0.512 1.00 0.00 C ATOM 858 C ARG A 71 -0.341 3.370 -1.497 1.00 0.00 C ATOM 859 O ARG A 71 -1.433 3.926 -1.623 1.00 0.00 O ATOM 860 CB ARG A 71 1.920 4.483 -1.247 1.00 0.00 C ATOM 861 CG ARG A 71 2.676 5.560 -0.448 1.00 0.00 C ATOM 862 CD ARG A 71 4.206 5.426 -0.530 1.00 0.00 C ATOM 863 NE ARG A 71 4.757 4.804 0.690 1.00 0.00 N ATOM 864 CZ ARG A 71 5.146 5.431 1.796 1.00 0.00 C ATOM 865 NH1 ARG A 71 5.097 6.740 1.924 1.00 0.00 N1+ ATOM 866 NH2 ARG A 71 5.578 4.718 2.810 1.00 0.00 N ATOM 0 H ARG A 71 2.062 2.637 0.405 1.00 0.00 H new ATOM 0 HA ARG A 71 0.214 4.761 0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.600 3.660 -1.467 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.607 4.902 -2.203 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.386 6.544 -0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.370 5.507 0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.474 4.826 -1.399 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.652 6.410 -0.672 1.00 0.00 H new ATOM 0 HE ARG A 71 4.849 3.788 0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.750 7.315 1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.406 7.180 2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.611 3.701 2.741 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.881 5.181 3.667 1.00 0.00 H new ATOM 880 N ILE A 72 -0.049 2.219 -2.121 1.00 0.00 N ATOM 881 CA ILE A 72 -0.986 1.590 -3.073 1.00 0.00 C ATOM 882 C ILE A 72 -2.295 1.188 -2.388 1.00 0.00 C ATOM 883 O ILE A 72 -3.340 1.284 -3.018 1.00 0.00 O ATOM 884 CB ILE A 72 -0.357 0.423 -3.875 1.00 0.00 C ATOM 885 CG1 ILE A 72 -0.190 -0.836 -3.011 1.00 0.00 C ATOM 886 CG2 ILE A 72 0.956 0.860 -4.549 1.00 0.00 C ATOM 887 CD1 ILE A 72 0.719 -1.901 -3.626 1.00 0.00 C ATOM 0 H ILE A 72 0.822 1.705 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.226 2.352 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.048 0.153 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.213 -0.546 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.172 -1.273 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.376 0.022 -5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.757 1.686 -5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.666 1.183 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.784 -2.756 -2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.308 -2.222 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.714 -1.485 -3.780 1.00 0.00 H new ATOM 899 N ALA A 73 -2.286 0.834 -1.099 1.00 0.00 N ATOM 900 CA ALA A 73 -3.512 0.592 -0.348 1.00 0.00 C ATOM 901 C ALA A 73 -4.350 1.868 -0.162 1.00 0.00 C ATOM 902 O ALA A 73 -5.531 1.889 -0.499 1.00 0.00 O ATOM 903 CB ALA A 73 -3.178 -0.071 0.990 1.00 0.00 C ATOM 0 H ALA A 73 -1.433 0.709 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.134 -0.089 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.098 -0.250 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.673 -1.020 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.525 0.584 1.568 1.00 0.00 H new ATOM 909 N ASN A 74 -3.742 2.957 0.311 1.00 0.00 N ATOM 910 CA ASN A 74 -4.440 4.233 0.518 1.00 0.00 C ATOM 911 C ASN A 74 -4.926 4.901 -0.793 1.00 0.00 C ATOM 912 O ASN A 74 -5.737 5.826 -0.730 1.00 0.00 O ATOM 913 CB ASN A 74 -3.551 5.174 1.346 1.00 0.00 C ATOM 914 CG ASN A 74 -3.603 4.838 2.834 1.00 0.00 C ATOM 915 OD1 ASN A 74 -4.408 5.379 3.583 1.00 0.00 O ATOM 916 ND2 ASN A 74 -2.763 3.938 3.310 1.00 0.00 N ATOM 0 H ASN A 74 -2.754 2.983 0.562 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.354 4.017 1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -2.522 5.106 0.994 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.872 6.205 1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.784 3.694 4.300 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.092 3.487 2.688 1.00 0.00 H new ATOM 923 N GLU A 75 -4.473 4.427 -1.962 1.00 0.00 N ATOM 924 CA GLU A 75 -4.963 4.839 -3.283 1.00 0.00 C ATOM 925 C GLU A 75 -5.862 3.765 -3.920 1.00 0.00 C ATOM 926 O GLU A 75 -7.072 3.949 -4.030 1.00 0.00 O ATOM 927 CB GLU A 75 -3.778 5.149 -4.214 1.00 0.00 C ATOM 928 CG GLU A 75 -2.932 6.343 -3.769 1.00 0.00 C ATOM 929 CD GLU A 75 -3.717 7.661 -3.809 1.00 0.00 C ATOM 930 OE1 GLU A 75 -3.886 8.213 -4.920 1.00 0.00 O ATOM 931 OE2 GLU A 75 -4.114 8.165 -2.734 1.00 0.00 O1- ATOM 0 H GLU A 75 -3.734 3.726 -2.015 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.564 5.738 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.139 4.268 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.158 5.340 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.568 6.170 -2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.056 6.425 -4.413 1.00 0.00 H new ATOM 938 N ALA A 76 -5.286 2.643 -4.363 1.00 0.00 N ATOM 939 CA ALA A 76 -5.958 1.633 -5.174 1.00 0.00 C ATOM 940 C ALA A 76 -6.909 0.745 -4.358 1.00 0.00 C ATOM 941 O ALA A 76 -7.967 0.391 -4.876 1.00 0.00 O ATOM 942 CB ALA A 76 -4.895 0.800 -5.906 1.00 0.00 C ATOM 0 H ALA A 76 -4.314 2.410 -4.160 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.592 2.142 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.384 0.041 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.299 1.451 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.246 0.316 -5.176 1.00 0.00 H new ATOM 948 N LEU A 77 -6.572 0.418 -3.100 1.00 0.00 N ATOM 949 CA LEU A 77 -7.447 -0.359 -2.203 1.00 0.00 C ATOM 950 C LEU A 77 -8.506 0.531 -1.507 1.00 0.00 C ATOM 951 O LEU A 77 -9.452 0.023 -0.907 1.00 0.00 O ATOM 952 CB LEU A 77 -6.649 -1.172 -1.166 1.00 0.00 C ATOM 953 CG LEU A 77 -5.788 -2.367 -1.645 1.00 0.00 C ATOM 954 CD1 LEU A 77 -6.661 -3.611 -1.834 1.00 0.00 C ATOM 955 CD2 LEU A 77 -4.955 -2.155 -2.919 1.00 0.00 C ATOM 0 H LEU A 77 -5.684 0.685 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.976 -1.069 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.988 -0.480 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.358 -1.552 -0.431 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.060 -2.488 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.042 -4.442 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.134 -3.871 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.430 -3.406 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.399 -3.065 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.617 -1.917 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.257 -1.332 -2.764 1.00 0.00 H new ATOM 967 N ASP A 78 -8.381 1.857 -1.599 1.00 0.00 N ATOM 968 CA ASP A 78 -9.369 2.829 -1.109 1.00 0.00 C ATOM 969 C ASP A 78 -10.515 3.079 -2.121 1.00 0.00 C ATOM 970 O ASP A 78 -11.504 3.738 -1.802 1.00 0.00 O ATOM 971 CB ASP A 78 -8.621 4.120 -0.740 1.00 0.00 C ATOM 972 CG ASP A 78 -9.486 5.141 0.019 1.00 0.00 C ATOM 973 OD1 ASP A 78 -9.397 6.349 -0.301 1.00 0.00 O ATOM 974 OD2 ASP A 78 -10.207 4.741 0.964 1.00 0.00 O1- ATOM 0 H ASP A 78 -7.568 2.299 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.865 2.427 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.755 3.866 -0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.243 4.584 -1.651 1.00 0.00 H new ATOM 979 N GLN A 79 -10.405 2.532 -3.337 1.00 0.00 N ATOM 980 CA GLN A 79 -11.438 2.579 -4.378 1.00 0.00 C ATOM 981 C GLN A 79 -12.660 1.689 -4.040 1.00 0.00 C ATOM 982 O GLN A 79 -12.526 0.702 -3.306 1.00 0.00 O ATOM 983 CB GLN A 79 -10.827 2.114 -5.710 1.00 0.00 C ATOM 984 CG GLN A 79 -9.805 3.086 -6.311 1.00 0.00 C ATOM 985 CD GLN A 79 -9.226 2.565 -7.626 1.00 0.00 C ATOM 986 OE1 GLN A 79 -9.405 3.146 -8.691 1.00 0.00 O ATOM 987 NE2 GLN A 79 -8.518 1.454 -7.611 1.00 0.00 N ATOM 0 H GLN A 79 -9.569 2.029 -3.633 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.792 3.608 -4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -10.346 1.148 -5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.631 1.959 -6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.280 4.052 -6.481 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.997 3.249 -5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.362 0.961 -6.732 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.126 1.087 -8.478 1.00 0.00 H new ATOM 996 N PRO A 80 -13.851 1.974 -4.610 1.00 0.00 N ATOM 997 CA PRO A 80 -15.079 1.226 -4.328 1.00 0.00 C ATOM 998 C PRO A 80 -15.101 -0.208 -4.890 1.00 0.00 C ATOM 999 O PRO A 80 -15.972 -0.985 -4.503 1.00 0.00 O ATOM 1000 CB PRO A 80 -16.212 2.078 -4.915 1.00 0.00 C ATOM 1001 CG PRO A 80 -15.535 2.831 -6.056 1.00 0.00 C ATOM 1002 CD PRO A 80 -14.149 3.106 -5.480 1.00 0.00 C ATOM 0 HA PRO A 80 -15.177 1.072 -3.253 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.035 1.460 -5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.627 2.761 -4.173 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.487 2.234 -6.966 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.062 3.752 -6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.406 3.196 -6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.136 4.042 -4.922 1.00 0.00 H new ATOM 1010 N ASP A 81 -14.160 -0.600 -5.762 1.00 0.00 N ATOM 1011 CA ASP A 81 -14.082 -1.961 -6.328 1.00 0.00 C ATOM 1012 C ASP A 81 -13.539 -3.021 -5.343 1.00 0.00 C ATOM 1013 O ASP A 81 -13.522 -4.213 -5.651 1.00 0.00 O ATOM 1014 CB ASP A 81 -13.245 -1.932 -7.619 1.00 0.00 C ATOM 1015 CG ASP A 81 -11.742 -1.725 -7.389 1.00 0.00 C ATOM 1016 OD1 ASP A 81 -11.326 -0.549 -7.308 1.00 0.00 O ATOM 1017 OD2 ASP A 81 -10.997 -2.730 -7.319 1.00 0.00 O1- ATOM 0 H ASP A 81 -13.425 0.021 -6.099 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.104 -2.270 -6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.393 -2.869 -8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.616 -1.134 -8.262 1.00 0.00 H new ATOM 1022 N VAL A 82 -13.079 -2.573 -4.175 1.00 0.00 N ATOM 1023 CA VAL A 82 -12.183 -3.304 -3.265 1.00 0.00 C ATOM 1024 C VAL A 82 -12.951 -3.974 -2.120 1.00 0.00 C ATOM 1025 O VAL A 82 -13.969 -3.455 -1.658 1.00 0.00 O ATOM 1026 CB VAL A 82 -11.121 -2.340 -2.693 1.00 0.00 C ATOM 1027 CG1 VAL A 82 -10.133 -3.072 -1.766 1.00 0.00 C ATOM 1028 CG2 VAL A 82 -10.346 -1.645 -3.830 1.00 0.00 C ATOM 0 H VAL A 82 -13.329 -1.651 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.697 -4.092 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.650 -1.588 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.400 -2.362 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.677 -3.518 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.621 -3.855 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.603 -0.970 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.846 -2.396 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.040 -1.076 -4.449 1.00 0.00 H new ATOM 1038 N ARG A 83 -12.435 -5.117 -1.647 1.00 0.00 N ATOM 1039 CA ARG A 83 -13.029 -5.899 -0.560 1.00 0.00 C ATOM 1040 C ARG A 83 -12.496 -5.447 0.816 1.00 0.00 C ATOM 1041 O ARG A 83 -13.294 -4.923 1.591 1.00 0.00 O ATOM 1042 CB ARG A 83 -12.845 -7.407 -0.807 1.00 0.00 C ATOM 1043 CG ARG A 83 -13.108 -7.893 -2.248 1.00 0.00 C ATOM 1044 CD ARG A 83 -14.577 -7.796 -2.681 1.00 0.00 C ATOM 1045 NE ARG A 83 -15.418 -8.787 -1.982 1.00 0.00 N ATOM 1046 CZ ARG A 83 -15.492 -10.089 -2.242 1.00 0.00 C ATOM 1047 NH1 ARG A 83 -14.819 -10.651 -3.227 1.00 0.00 N1+ ATOM 1048 NH2 ARG A 83 -16.255 -10.860 -1.498 1.00 0.00 N ATOM 0 H ARG A 83 -11.578 -5.529 -2.017 1.00 0.00 H new ATOM 0 HA ARG A 83 -14.102 -5.710 -0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.825 -7.678 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.510 -7.949 -0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.498 -7.307 -2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.781 -8.929 -2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.951 -6.793 -2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.650 -7.951 -3.757 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.002 -8.438 -1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.215 -10.083 -3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.902 -11.654 -3.395 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.787 -10.459 -0.726 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.315 -11.859 -1.694 1.00 0.00 H new ATOM 1062 N ALA A 84 -11.186 -5.565 1.109 1.00 0.00 N ATOM 1063 CA ALA A 84 -10.539 -5.142 2.372 1.00 0.00 C ATOM 1064 C ALA A 84 -8.998 -5.325 2.401 1.00 0.00 C ATOM 1065 O ALA A 84 -8.470 -6.287 1.847 1.00 0.00 O ATOM 1066 CB ALA A 84 -11.153 -5.910 3.555 1.00 0.00 C ATOM 0 H ALA A 84 -10.523 -5.972 0.450 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.725 -4.071 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.673 -5.595 4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -12.221 -5.700 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.000 -6.980 3.413 1.00 0.00 H new ATOM 1072 N VAL A 85 -8.272 -4.454 3.116 1.00 0.00 N ATOM 1073 CA VAL A 85 -6.804 -4.538 3.299 1.00 0.00 C ATOM 1074 C VAL A 85 -6.350 -3.892 4.624 1.00 0.00 C ATOM 1075 O VAL A 85 -6.972 -2.927 5.077 1.00 0.00 O ATOM 1076 CB VAL A 85 -6.089 -3.909 2.075 1.00 0.00 C ATOM 1077 CG1 VAL A 85 -6.021 -2.378 2.156 1.00 0.00 C ATOM 1078 CG2 VAL A 85 -4.688 -4.473 1.826 1.00 0.00 C ATOM 0 H VAL A 85 -8.689 -3.655 3.594 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.523 -5.589 3.363 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.712 -4.189 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.511 -1.989 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.031 -1.971 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.473 -2.085 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.249 -3.986 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.061 -4.289 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.754 -5.546 1.647 1.00 0.00 H new ATOM 1088 N THR A 86 -5.256 -4.384 5.226 1.00 0.00 N ATOM 1089 CA THR A 86 -4.724 -3.934 6.537 1.00 0.00 C ATOM 1090 C THR A 86 -3.254 -4.312 6.672 1.00 0.00 C ATOM 1091 O THR A 86 -2.853 -5.299 6.071 1.00 0.00 O ATOM 1092 CB THR A 86 -5.474 -4.554 7.733 1.00 0.00 C ATOM 1093 OG1 THR A 86 -6.744 -5.030 7.377 1.00 0.00 O ATOM 1094 CG2 THR A 86 -5.696 -3.524 8.838 1.00 0.00 C ATOM 0 H THR A 86 -4.696 -5.127 4.808 1.00 0.00 H new ATOM 0 HA THR A 86 -4.860 -2.853 6.558 1.00 0.00 H new ATOM 0 HB THR A 86 -4.844 -5.376 8.074 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.431 -4.508 7.841 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.227 -3.990 9.668 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.733 -3.151 9.187 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.287 -2.695 8.449 1.00 0.00 H new ATOM 1102 N PHE A 87 -2.469 -3.583 7.477 1.00 0.00 N ATOM 1103 CA PHE A 87 -1.029 -3.825 7.682 1.00 0.00 C ATOM 1104 C PHE A 87 -0.588 -3.417 9.097 1.00 0.00 C ATOM 1105 O PHE A 87 -0.999 -2.357 9.575 1.00 0.00 O ATOM 1106 CB PHE A 87 -0.205 -3.018 6.660 1.00 0.00 C ATOM 1107 CG PHE A 87 -0.651 -3.118 5.214 1.00 0.00 C ATOM 1108 CD1 PHE A 87 -0.021 -4.003 4.323 1.00 0.00 C ATOM 1109 CD2 PHE A 87 -1.726 -2.329 4.766 1.00 0.00 C ATOM 1110 CE1 PHE A 87 -0.487 -4.109 3.001 1.00 0.00 C ATOM 1111 CE2 PHE A 87 -2.176 -2.416 3.445 1.00 0.00 C ATOM 1112 CZ PHE A 87 -1.554 -3.306 2.559 1.00 0.00 C ATOM 0 H PHE A 87 -2.822 -2.792 8.016 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.855 -4.893 7.550 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.227 -1.969 6.954 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.833 -3.345 6.722 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.817 -4.599 4.652 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.210 -1.648 5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.024 -4.810 2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.998 -1.801 3.109 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.894 -3.375 1.536 1.00 0.00 H new ATOM 1122 N LEU A 88 0.290 -4.201 9.740 1.00 0.00 N ATOM 1123 CA LEU A 88 0.795 -3.949 11.101 1.00 0.00 C ATOM 1124 C LEU A 88 2.128 -4.670 11.377 1.00 0.00 C ATOM 1125 O LEU A 88 2.390 -5.743 10.834 1.00 0.00 O ATOM 1126 CB LEU A 88 -0.313 -4.316 12.111 1.00 0.00 C ATOM 1127 CG LEU A 88 -0.004 -4.066 13.607 1.00 0.00 C ATOM 1128 CD1 LEU A 88 -1.106 -3.230 14.278 1.00 0.00 C ATOM 1129 CD2 LEU A 88 0.150 -5.399 14.352 1.00 0.00 C ATOM 0 H LEU A 88 0.678 -5.046 9.321 1.00 0.00 H new ATOM 0 HA LEU A 88 1.031 -2.890 11.210 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.210 -3.754 11.851 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.551 -5.372 11.985 1.00 0.00 H new ATOM 0 HG LEU A 88 0.931 -3.509 13.658 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.856 -3.074 15.327 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.187 -2.265 13.777 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.057 -3.757 14.206 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.367 -5.206 15.403 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.775 -5.970 14.272 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.968 -5.970 13.912 1.00 0.00 H new ATOM 1141 N ASP A 89 2.971 -4.076 12.227 1.00 0.00 N ATOM 1142 CA ASP A 89 4.263 -4.614 12.684 1.00 0.00 C ATOM 1143 C ASP A 89 4.232 -5.202 14.117 1.00 0.00 C ATOM 1144 O ASP A 89 3.223 -5.144 14.821 1.00 0.00 O ATOM 1145 CB ASP A 89 5.340 -3.518 12.552 1.00 0.00 C ATOM 1146 CG ASP A 89 5.212 -2.329 13.525 1.00 0.00 C ATOM 1147 OD1 ASP A 89 4.303 -2.323 14.388 1.00 0.00 O ATOM 1148 OD2 ASP A 89 6.076 -1.427 13.443 1.00 0.00 O1- ATOM 0 H ASP A 89 2.765 -3.165 12.636 1.00 0.00 H new ATOM 0 HA ASP A 89 4.505 -5.460 12.041 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.318 -3.977 12.696 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.316 -3.133 11.533 1.00 0.00 H new ATOM 1153 N ALA A 90 5.374 -5.726 14.587 1.00 0.00 N ATOM 1154 CA ALA A 90 5.541 -6.234 15.957 1.00 0.00 C ATOM 1155 C ALA A 90 5.381 -5.154 17.052 1.00 0.00 C ATOM 1156 O ALA A 90 5.153 -5.489 18.217 1.00 0.00 O ATOM 1157 CB ALA A 90 6.919 -6.903 16.054 1.00 0.00 C ATOM 0 H ALA A 90 6.217 -5.810 14.020 1.00 0.00 H new ATOM 0 HA ALA A 90 4.740 -6.949 16.145 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.066 -7.288 17.063 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.976 -7.725 15.340 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.695 -6.172 15.828 1.00 0.00 H new ATOM 1163 N ARG A 91 5.477 -3.868 16.689 1.00 0.00 N ATOM 1164 CA ARG A 91 5.330 -2.714 17.587 1.00 0.00 C ATOM 1165 C ARG A 91 3.858 -2.333 17.855 1.00 0.00 C ATOM 1166 O ARG A 91 3.611 -1.425 18.649 1.00 0.00 O ATOM 1167 CB ARG A 91 6.108 -1.519 16.986 1.00 0.00 C ATOM 1168 CG ARG A 91 6.649 -0.540 18.039 1.00 0.00 C ATOM 1169 CD ARG A 91 7.865 -1.099 18.799 1.00 0.00 C ATOM 1170 NE ARG A 91 7.845 -0.742 20.231 1.00 0.00 N ATOM 1171 CZ ARG A 91 7.947 0.471 20.767 1.00 0.00 C ATOM 1172 NH1 ARG A 91 8.106 1.555 20.035 1.00 0.00 N1+ ATOM 1173 NH2 ARG A 91 7.887 0.606 22.073 1.00 0.00 N ATOM 0 H ARG A 91 5.666 -3.592 15.725 1.00 0.00 H new ATOM 0 HA ARG A 91 5.742 -2.989 18.558 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.941 -1.900 16.395 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.454 -0.978 16.302 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.928 0.394 17.551 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.858 -0.304 18.751 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.886 -2.184 18.698 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.780 -0.719 18.345 1.00 0.00 H new ATOM 0 HE ARG A 91 7.741 -1.516 20.887 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.155 1.482 19.019 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.180 2.468 20.485 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.763 -0.215 22.665 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.964 1.532 22.494 1.00 0.00 H new ATOM 1187 N GLN A 92 2.890 -2.983 17.189 1.00 0.00 N ATOM 1188 CA GLN A 92 1.451 -2.653 17.196 1.00 0.00 C ATOM 1189 C GLN A 92 1.172 -1.323 16.457 1.00 0.00 C ATOM 1190 O GLN A 92 0.189 -0.631 16.726 1.00 0.00 O ATOM 1191 CB GLN A 92 0.824 -2.713 18.614 1.00 0.00 C ATOM 1192 CG GLN A 92 0.826 -4.115 19.256 1.00 0.00 C ATOM 1193 CD GLN A 92 -0.316 -5.021 18.775 1.00 0.00 C ATOM 1194 OE1 GLN A 92 -0.880 -4.864 17.701 1.00 0.00 O ATOM 1195 NE2 GLN A 92 -0.722 -5.998 19.562 1.00 0.00 N ATOM 0 H GLN A 92 3.097 -3.792 16.603 1.00 0.00 H new ATOM 0 HA GLN A 92 0.941 -3.434 16.632 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.366 -2.028 19.266 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -0.204 -2.354 18.558 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.778 -4.601 19.041 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.760 -4.008 20.339 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.268 -6.150 20.463 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.490 -6.602 19.270 1.00 0.00 H new ATOM 1204 N GLU A 93 2.030 -0.939 15.509 1.00 0.00 N ATOM 1205 CA GLU A 93 1.808 0.212 14.639 1.00 0.00 C ATOM 1206 C GLU A 93 1.049 -0.251 13.388 1.00 0.00 C ATOM 1207 O GLU A 93 1.503 -1.173 12.714 1.00 0.00 O ATOM 1208 CB GLU A 93 3.165 0.852 14.315 1.00 0.00 C ATOM 1209 CG GLU A 93 3.028 2.203 13.615 1.00 0.00 C ATOM 1210 CD GLU A 93 4.387 2.916 13.542 1.00 0.00 C ATOM 1211 OE1 GLU A 93 5.004 2.958 12.451 1.00 0.00 O ATOM 1212 OE2 GLU A 93 4.848 3.440 14.585 1.00 0.00 O1- ATOM 0 H GLU A 93 2.907 -1.426 15.324 1.00 0.00 H new ATOM 0 HA GLU A 93 1.196 0.972 15.125 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.731 0.981 15.238 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.739 0.176 13.681 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.633 2.059 12.609 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.313 2.826 14.152 1.00 0.00 H new ATOM 1219 N ARG A 94 -0.113 0.348 13.083 1.00 0.00 N ATOM 1220 CA ARG A 94 -0.961 -0.043 11.946 1.00 0.00 C ATOM 1221 C ARG A 94 -0.541 0.775 10.714 1.00 0.00 C ATOM 1222 O ARG A 94 -1.041 1.877 10.495 1.00 0.00 O ATOM 1223 CB ARG A 94 -2.461 0.092 12.333 1.00 0.00 C ATOM 1224 CG ARG A 94 -3.349 -1.053 11.813 1.00 0.00 C ATOM 1225 CD ARG A 94 -4.691 -1.161 12.567 1.00 0.00 C ATOM 1226 NE ARG A 94 -5.644 -0.070 12.261 1.00 0.00 N ATOM 1227 CZ ARG A 94 -6.768 -0.155 11.549 1.00 0.00 C ATOM 1228 NH1 ARG A 94 -7.114 -1.241 10.892 1.00 0.00 N1+ ATOM 1229 NH2 ARG A 94 -7.585 0.869 11.459 1.00 0.00 N ATOM 0 H ARG A 94 -0.494 1.125 13.624 1.00 0.00 H new ATOM 0 HA ARG A 94 -0.824 -1.092 11.685 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.543 0.136 13.419 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.842 1.037 11.946 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -3.545 -0.901 10.752 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.809 -1.995 11.905 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.157 -2.116 12.323 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.494 -1.167 13.639 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.415 0.850 12.637 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.512 -2.064 10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.984 -1.260 10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.363 1.742 11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.442 0.791 10.911 1.00 0.00 H new ATOM 1243 N LEU A 95 0.419 0.269 9.924 1.00 0.00 N ATOM 1244 CA LEU A 95 1.071 1.017 8.829 1.00 0.00 C ATOM 1245 C LEU A 95 0.086 1.533 7.770 1.00 0.00 C ATOM 1246 O LEU A 95 0.366 2.544 7.129 1.00 0.00 O ATOM 1247 CB LEU A 95 2.137 0.160 8.106 1.00 0.00 C ATOM 1248 CG LEU A 95 3.409 -0.268 8.864 1.00 0.00 C ATOM 1249 CD1 LEU A 95 4.018 0.862 9.702 1.00 0.00 C ATOM 1250 CD2 LEU A 95 3.162 -1.504 9.729 1.00 0.00 C ATOM 0 H LEU A 95 0.771 -0.683 10.026 1.00 0.00 H new ATOM 0 HA LEU A 95 1.536 1.872 9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.644 -0.747 7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.454 0.712 7.221 1.00 0.00 H new ATOM 0 HG LEU A 95 4.139 -0.523 8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.910 0.497 10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.286 1.694 9.051 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.291 1.199 10.441 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.082 -1.775 10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.384 -1.287 10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.844 -2.333 9.097 1.00 0.00 H new ATOM 1262 N ALA A 96 -1.041 0.839 7.582 1.00 0.00 N ATOM 1263 CA ALA A 96 -2.102 1.173 6.635 1.00 0.00 C ATOM 1264 C ALA A 96 -3.342 0.295 6.844 1.00 0.00 C ATOM 1265 O ALA A 96 -3.319 -0.702 7.569 1.00 0.00 O ATOM 1266 CB ALA A 96 -1.563 1.079 5.196 1.00 0.00 C ATOM 0 H ALA A 96 -1.245 -0.009 8.111 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.421 2.200 6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.358 1.329 4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.735 1.777 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.214 0.064 5.004 1.00 0.00 H new ATOM 1272 N HIS A 97 -4.420 0.664 6.160 1.00 0.00 N ATOM 1273 CA HIS A 97 -5.744 0.056 6.235 1.00 0.00 C ATOM 1274 C HIS A 97 -6.668 0.708 5.190 1.00 0.00 C ATOM 1275 O HIS A 97 -6.618 1.925 5.000 1.00 0.00 O ATOM 1276 CB HIS A 97 -6.292 0.179 7.670 1.00 0.00 C ATOM 1277 CG HIS A 97 -6.096 1.534 8.313 1.00 0.00 C ATOM 1278 ND1 HIS A 97 -6.629 2.725 7.886 1.00 0.00 N ATOM 1279 CD2 HIS A 97 -5.312 1.818 9.400 1.00 0.00 C ATOM 1280 CE1 HIS A 97 -6.211 3.695 8.717 1.00 0.00 C ATOM 1281 NE2 HIS A 97 -5.411 3.187 9.670 1.00 0.00 N ATOM 0 H HIS A 97 -4.391 1.441 5.500 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.688 -1.007 6.003 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.358 -0.050 7.657 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.811 -0.575 8.293 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.718 1.106 9.954 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.480 4.737 8.631 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.967 3.696 10.434 1.00 0.00 H new ATOM 1289 N ALA A 98 -7.511 -0.087 4.522 1.00 0.00 N ATOM 1290 CA ALA A 98 -8.409 0.350 3.446 1.00 0.00 C ATOM 1291 C ALA A 98 -9.517 -0.689 3.179 1.00 0.00 C ATOM 1292 O ALA A 98 -9.363 -1.881 3.469 1.00 0.00 O ATOM 1293 CB ALA A 98 -7.598 0.715 2.186 1.00 0.00 C ATOM 0 H ALA A 98 -7.590 -1.084 4.721 1.00 0.00 H new ATOM 0 HA ALA A 98 -8.926 1.256 3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.277 1.037 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.905 1.523 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.038 -0.157 1.849 1.00 0.00 H new ATOM 1299 N GLY A 99 -10.653 -0.222 2.659 1.00 0.00 N ATOM 1300 CA GLY A 99 -11.915 -0.972 2.612 1.00 0.00 C ATOM 1301 C GLY A 99 -12.861 -0.606 3.772 1.00 0.00 C ATOM 1302 O GLY A 99 -12.442 0.081 4.711 1.00 0.00 O ATOM 0 H GLY A 99 -10.726 0.709 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.415 -0.776 1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.701 -2.040 2.645 1.00 0.00 H new ATOM 1306 N PRO A 100 -14.129 -1.060 3.717 1.00 0.00 N ATOM 1307 CA PRO A 100 -15.234 -0.526 4.514 1.00 0.00 C ATOM 1308 C PRO A 100 -15.132 -0.835 6.014 1.00 0.00 C ATOM 1309 O PRO A 100 -15.535 -0.006 6.826 1.00 0.00 O ATOM 1310 CB PRO A 100 -16.503 -1.130 3.894 1.00 0.00 C ATOM 1311 CG PRO A 100 -16.021 -2.431 3.255 1.00 0.00 C ATOM 1312 CD PRO A 100 -14.616 -2.066 2.785 1.00 0.00 C ATOM 0 HA PRO A 100 -15.229 0.563 4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -17.267 -1.316 4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.943 -0.461 3.154 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -16.009 -3.254 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -16.660 -2.737 2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -13.966 -2.941 2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -14.634 -1.678 1.767 1.00 0.00 H new ATOM 1320 N SER A 101 -14.587 -1.994 6.401 1.00 0.00 N ATOM 1321 CA SER A 101 -14.416 -2.364 7.823 1.00 0.00 C ATOM 1322 C SER A 101 -13.031 -2.007 8.397 1.00 0.00 C ATOM 1323 O SER A 101 -12.857 -1.984 9.617 1.00 0.00 O ATOM 1324 CB SER A 101 -14.646 -3.872 7.995 1.00 0.00 C ATOM 1325 OG SER A 101 -15.976 -4.251 7.660 1.00 0.00 O ATOM 0 H SER A 101 -14.252 -2.702 5.747 1.00 0.00 H new ATOM 0 HA SER A 101 -15.152 -1.782 8.377 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.944 -4.420 7.366 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.438 -4.155 9.027 1.00 0.00 H new ATOM 0 HG SER A 101 -16.081 -5.218 7.781 1.00 0.00 H new ATOM 1331 N MET A 102 -12.035 -1.746 7.538 1.00 0.00 N ATOM 1332 CA MET A 102 -10.622 -1.613 7.933 1.00 0.00 C ATOM 1333 C MET A 102 -10.219 -0.167 8.230 1.00 0.00 C ATOM 1334 O MET A 102 -9.498 0.094 9.199 1.00 0.00 O ATOM 1335 CB MET A 102 -9.721 -2.154 6.812 1.00 0.00 C ATOM 1336 CG MET A 102 -10.031 -3.591 6.387 1.00 0.00 C ATOM 1337 SD MET A 102 -9.961 -4.786 7.733 1.00 0.00 S ATOM 1338 CE MET A 102 -9.527 -6.278 6.811 1.00 0.00 C ATOM 0 H MET A 102 -12.188 -1.620 6.537 1.00 0.00 H new ATOM 0 HA MET A 102 -10.497 -2.187 8.851 1.00 0.00 H new ATOM 0 HB2 MET A 102 -9.814 -1.503 5.943 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.683 -2.101 7.140 1.00 0.00 H new ATOM 0 HG2 MET A 102 -11.025 -3.620 5.941 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.325 -3.890 5.613 1.00 0.00 H new ATOM 0 HE1 MET A 102 -9.006 -6.973 7.469 1.00 0.00 H new ATOM 0 HE2 MET A 102 -10.434 -6.748 6.432 1.00 0.00 H new ATOM 0 HE3 MET A 102 -8.879 -6.014 5.975 1.00 0.00 H new ATOM 1348 N LEU A 103 -10.658 0.757 7.369 1.00 0.00 N ATOM 1349 CA LEU A 103 -10.392 2.192 7.437 1.00 0.00 C ATOM 1350 C LEU A 103 -11.647 2.896 7.964 1.00 0.00 C ATOM 1351 O LEU A 103 -12.661 2.982 7.271 1.00 0.00 O ATOM 1352 CB LEU A 103 -9.973 2.657 6.024 1.00 0.00 C ATOM 1353 CG LEU A 103 -9.860 4.177 5.771 1.00 0.00 C ATOM 1354 CD1 LEU A 103 -8.863 4.896 6.686 1.00 0.00 C ATOM 1355 CD2 LEU A 103 -9.449 4.417 4.312 1.00 0.00 C ATOM 0 H LEU A 103 -11.237 0.509 6.567 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.581 2.439 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.007 2.207 5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.691 2.251 5.311 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.843 4.593 5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.846 5.958 6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.165 4.768 7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.868 4.474 6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.368 5.488 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.486 3.942 4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.201 3.991 3.647 1.00 0.00 H new ATOM 1367 N THR A 104 -11.560 3.429 9.187 1.00 0.00 N ATOM 1368 CA THR A 104 -12.647 4.155 9.871 1.00 0.00 C ATOM 1369 C THR A 104 -13.075 5.409 9.104 1.00 0.00 C ATOM 1370 O THR A 104 -14.252 5.760 9.107 1.00 0.00 O ATOM 1371 CB THR A 104 -12.205 4.497 11.304 1.00 0.00 C ATOM 1372 OG1 THR A 104 -11.614 3.350 11.881 1.00 0.00 O ATOM 1373 CG2 THR A 104 -13.376 4.915 12.193 1.00 0.00 C ATOM 0 H THR A 104 -10.710 3.368 9.748 1.00 0.00 H new ATOM 0 HA THR A 104 -13.524 3.508 9.910 1.00 0.00 H new ATOM 0 HB THR A 104 -11.507 5.332 11.240 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.326 3.555 12.795 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.009 5.145 13.193 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.857 5.797 11.771 1.00 0.00 H new ATOM 0 HG23 THR A 104 -14.098 4.101 12.250 1.00 0.00 H new ATOM 1381 N VAL A 105 -12.132 6.047 8.407 1.00 0.00 N ATOM 1382 CA VAL A 105 -12.310 7.274 7.604 1.00 0.00 C ATOM 1383 C VAL A 105 -12.482 6.937 6.103 1.00 0.00 C ATOM 1384 O VAL A 105 -11.880 7.567 5.235 1.00 0.00 O ATOM 1385 CB VAL A 105 -11.167 8.300 7.867 1.00 0.00 C ATOM 1386 CG1 VAL A 105 -11.581 9.729 7.463 1.00 0.00 C ATOM 1387 CG2 VAL A 105 -10.748 8.354 9.352 1.00 0.00 C ATOM 0 H VAL A 105 -11.170 5.709 8.382 1.00 0.00 H new ATOM 0 HA VAL A 105 -13.233 7.758 7.924 1.00 0.00 H new ATOM 0 HB VAL A 105 -10.331 7.953 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.758 10.416 7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.824 9.751 6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -12.454 10.032 8.041 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.949 9.085 9.478 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.604 8.644 9.961 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.395 7.372 9.666 1.00 0.00 H new ATOM 1397 N ALA A 106 -13.278 5.904 5.785 1.00 0.00 N ATOM 1398 CA ALA A 106 -13.647 5.520 4.413 1.00 0.00 C ATOM 1399 C ALA A 106 -15.112 5.917 4.099 1.00 0.00 C ATOM 1400 O ALA A 106 -16.026 5.140 4.401 1.00 0.00 O ATOM 1401 CB ALA A 106 -13.423 4.008 4.233 1.00 0.00 C ATOM 0 H ALA A 106 -13.693 5.298 6.492 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.014 6.057 3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.695 3.718 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.373 3.772 4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.042 3.461 4.945 1.00 0.00 H new ATOM 1407 N PRO A 107 -15.362 7.098 3.490 1.00 0.00 N ATOM 1408 CA PRO A 107 -16.706 7.524 3.099 1.00 0.00 C ATOM 1409 C PRO A 107 -17.178 6.904 1.768 1.00 0.00 C ATOM 1410 O PRO A 107 -18.378 6.923 1.497 1.00 0.00 O ATOM 1411 CB PRO A 107 -16.614 9.050 3.001 1.00 0.00 C ATOM 1412 CG PRO A 107 -15.181 9.276 2.527 1.00 0.00 C ATOM 1413 CD PRO A 107 -14.406 8.174 3.248 1.00 0.00 C ATOM 0 HA PRO A 107 -17.447 7.190 3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -17.341 9.454 2.296 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -16.802 9.529 3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -15.095 9.188 1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -14.818 10.268 2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -13.571 7.824 2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -13.987 8.541 4.185 1.00 0.00 H new ATOM 1421 N ALA A 108 -16.254 6.370 0.948 1.00 0.00 N ATOM 1422 CA ALA A 108 -16.479 5.777 -0.383 1.00 0.00 C ATOM 1423 C ALA A 108 -16.953 6.806 -1.446 1.00 0.00 C ATOM 1424 O ALA A 108 -17.045 8.010 -1.184 1.00 0.00 O ATOM 1425 CB ALA A 108 -17.390 4.542 -0.256 1.00 0.00 C ATOM 0 H ALA A 108 -15.270 6.339 1.214 1.00 0.00 H new ATOM 0 HA ALA A 108 -15.519 5.438 -0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -17.553 4.107 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -16.915 3.805 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -18.347 4.839 0.173 1.00 0.00 H new ATOM 1431 N GLY A 109 -17.242 6.330 -2.665 1.00 0.00 N ATOM 1432 CA GLY A 109 -17.890 7.106 -3.740 1.00 0.00 C ATOM 1433 C GLY A 109 -16.954 7.849 -4.704 1.00 0.00 C ATOM 1434 O GLY A 109 -17.438 8.460 -5.657 1.00 0.00 O ATOM 0 H GLY A 109 -17.028 5.372 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -18.513 6.428 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -18.557 7.836 -3.281 1.00 0.00 H new ATOM 1438 N ASP A 110 -15.636 7.784 -4.501 1.00 0.00 N ATOM 1439 CA ASP A 110 -14.600 8.319 -5.402 1.00 0.00 C ATOM 1440 C ASP A 110 -13.384 7.366 -5.458 1.00 0.00 C ATOM 1441 O ASP A 110 -13.297 6.411 -4.683 1.00 0.00 O ATOM 1442 CB ASP A 110 -14.213 9.747 -4.962 1.00 0.00 C ATOM 1443 CG ASP A 110 -13.429 10.516 -6.037 1.00 0.00 C ATOM 1444 OD1 ASP A 110 -12.179 10.406 -6.048 1.00 0.00 O ATOM 1445 OD2 ASP A 110 -14.063 11.203 -6.870 1.00 0.00 O1- ATOM 0 H ASP A 110 -15.240 7.340 -3.672 1.00 0.00 H new ATOM 0 HA ASP A 110 -14.994 8.383 -6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -15.118 10.302 -4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -13.613 9.691 -4.053 1.00 0.00 H new ATOM 1450 N ALA A 111 -12.445 7.613 -6.376 1.00 0.00 N ATOM 1451 CA ALA A 111 -11.230 6.818 -6.555 1.00 0.00 C ATOM 1452 C ALA A 111 -9.996 7.366 -5.808 1.00 0.00 C ATOM 1453 O ALA A 111 -9.073 6.606 -5.522 1.00 0.00 O ATOM 1454 CB ALA A 111 -10.954 6.736 -8.060 1.00 0.00 C ATOM 0 H ALA A 111 -12.512 8.392 -7.031 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.404 5.835 -6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -10.052 6.149 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.798 6.260 -8.559 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.815 7.741 -8.460 1.00 0.00 H new ATOM 1460 N SER A 112 -9.956 8.665 -5.498 1.00 0.00 N ATOM 1461 CA SER A 112 -8.789 9.321 -4.880 1.00 0.00 C ATOM 1462 C SER A 112 -9.156 10.552 -4.032 1.00 0.00 C ATOM 1463 O SER A 112 -8.624 10.735 -2.936 1.00 0.00 O ATOM 1464 CB SER A 112 -7.798 9.725 -5.986 1.00 0.00 C ATOM 1465 OG SER A 112 -6.722 10.484 -5.460 1.00 0.00 O ATOM 0 H SER A 112 -10.736 9.300 -5.668 1.00 0.00 H new ATOM 0 HA SER A 112 -8.339 8.601 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 112 -7.411 8.831 -6.475 1.00 0.00 H new ATOM 0 HB3 SER A 112 -8.317 10.306 -6.748 1.00 0.00 H new ATOM 0 HG SER A 112 -6.471 11.183 -6.100 1.00 0.00 H new ATOM 1471 N HIS A 113 -10.105 11.387 -4.469 1.00 0.00 N ATOM 1472 CA HIS A 113 -10.460 12.635 -3.781 1.00 0.00 C ATOM 1473 C HIS A 113 -11.173 12.399 -2.426 1.00 0.00 C ATOM 1474 O HIS A 113 -11.295 13.325 -1.619 1.00 0.00 O ATOM 1475 CB HIS A 113 -11.304 13.504 -4.730 1.00 0.00 C ATOM 1476 CG HIS A 113 -10.623 13.932 -6.016 1.00 0.00 C ATOM 1477 ND1 HIS A 113 -9.346 13.625 -6.441 1.00 0.00 N ATOM 1478 CD2 HIS A 113 -11.178 14.729 -6.982 1.00 0.00 C ATOM 1479 CE1 HIS A 113 -9.145 14.216 -7.631 1.00 0.00 C ATOM 1480 NE2 HIS A 113 -10.237 14.908 -8.006 1.00 0.00 N ATOM 0 H HIS A 113 -10.651 11.216 -5.313 1.00 0.00 H new ATOM 0 HA HIS A 113 -9.539 13.160 -3.528 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.210 12.954 -4.986 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -11.616 14.399 -4.191 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -12.173 15.149 -6.959 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -8.234 14.146 -8.207 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -10.356 15.452 -8.861 1.00 0.00 H new ATOM 1488 N LEU A 114 -11.596 11.157 -2.150 1.00 0.00 N ATOM 1489 CA LEU A 114 -12.071 10.700 -0.839 1.00 0.00 C ATOM 1490 C LEU A 114 -10.950 10.443 0.185 1.00 0.00 C ATOM 1491 O LEU A 114 -11.240 10.283 1.370 1.00 0.00 O ATOM 1492 CB LEU A 114 -12.953 9.447 -1.015 1.00 0.00 C ATOM 1493 CG LEU A 114 -12.230 8.094 -1.217 1.00 0.00 C ATOM 1494 CD1 LEU A 114 -13.289 6.992 -1.279 1.00 0.00 C ATOM 1495 CD2 LEU A 114 -11.340 8.033 -2.467 1.00 0.00 C ATOM 0 H LEU A 114 -11.617 10.421 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.658 11.517 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -13.594 9.359 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -13.606 9.612 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 114 -11.554 7.961 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -12.802 6.027 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.855 6.979 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -13.965 7.184 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.871 7.051 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.948 8.205 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.568 8.800 -2.402 1.00 0.00 H new ATOM 1507 N SER A 115 -9.687 10.375 -0.241 1.00 0.00 N ATOM 1508 CA SER A 115 -8.548 10.055 0.628 1.00 0.00 C ATOM 1509 C SER A 115 -8.128 11.284 1.460 1.00 0.00 C ATOM 1510 O SER A 115 -7.151 11.980 1.167 1.00 0.00 O ATOM 1511 CB SER A 115 -7.395 9.455 -0.194 1.00 0.00 C ATOM 1512 OG SER A 115 -6.429 8.857 0.660 1.00 0.00 O ATOM 0 H SER A 115 -9.421 10.542 -1.211 1.00 0.00 H new ATOM 0 HA SER A 115 -8.849 9.292 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.785 8.710 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 115 -6.925 10.234 -0.794 1.00 0.00 H new ATOM 0 HG SER A 115 -5.704 8.479 0.120 1.00 0.00 H new ATOM 1518 N MET A 116 -8.919 11.580 2.500 1.00 0.00 N ATOM 1519 CA MET A 116 -8.695 12.688 3.441 1.00 0.00 C ATOM 1520 C MET A 116 -7.524 12.419 4.408 1.00 0.00 C ATOM 1521 O MET A 116 -6.977 13.350 4.997 1.00 0.00 O ATOM 1522 CB MET A 116 -10.017 12.956 4.184 1.00 0.00 C ATOM 1523 CG MET A 116 -9.982 14.244 5.015 1.00 0.00 C ATOM 1524 SD MET A 116 -11.566 14.673 5.780 1.00 0.00 S ATOM 1525 CE MET A 116 -11.028 16.135 6.704 1.00 0.00 C ATOM 0 H MET A 116 -9.757 11.040 2.717 1.00 0.00 H new ATOM 0 HA MET A 116 -8.398 13.578 2.886 1.00 0.00 H new ATOM 0 HB2 MET A 116 -10.829 13.019 3.460 1.00 0.00 H new ATOM 0 HB3 MET A 116 -10.238 12.113 4.839 1.00 0.00 H new ATOM 0 HG2 MET A 116 -9.230 14.139 5.797 1.00 0.00 H new ATOM 0 HG3 MET A 116 -9.664 15.068 4.376 1.00 0.00 H new ATOM 0 HE1 MET A 116 -11.874 16.552 7.251 1.00 0.00 H new ATOM 0 HE2 MET A 116 -10.245 15.853 7.408 1.00 0.00 H new ATOM 0 HE3 MET A 116 -10.641 16.882 6.011 1.00 0.00 H new ATOM 1535 N SER A 117 -7.113 11.161 4.565 1.00 0.00 N ATOM 1536 CA SER A 117 -5.957 10.754 5.375 1.00 0.00 C ATOM 1537 C SER A 117 -4.630 11.315 4.823 1.00 0.00 C ATOM 1538 O SER A 117 -4.340 11.201 3.626 1.00 0.00 O ATOM 1539 CB SER A 117 -5.882 9.219 5.438 1.00 0.00 C ATOM 1540 OG SER A 117 -7.114 8.643 5.863 1.00 0.00 O ATOM 0 H SER A 117 -7.585 10.373 4.122 1.00 0.00 H new ATOM 0 HA SER A 117 -6.097 11.165 6.375 1.00 0.00 H new ATOM 0 HB2 SER A 117 -5.619 8.828 4.455 1.00 0.00 H new ATOM 0 HB3 SER A 117 -5.087 8.922 6.123 1.00 0.00 H new ATOM 0 HG SER A 117 -7.027 7.667 5.889 1.00 0.00 H new ATOM 1546 N THR A 118 -3.810 11.899 5.707 1.00 0.00 N ATOM 1547 CA THR A 118 -2.487 12.489 5.408 1.00 0.00 C ATOM 1548 C THR A 118 -1.359 11.880 6.245 1.00 0.00 C ATOM 1549 O THR A 118 -0.188 12.066 5.917 1.00 0.00 O ATOM 1550 CB THR A 118 -2.520 14.013 5.612 1.00 0.00 C ATOM 1551 OG1 THR A 118 -2.901 14.324 6.939 1.00 0.00 O ATOM 1552 CG2 THR A 118 -3.508 14.701 4.666 1.00 0.00 C ATOM 0 H THR A 118 -4.056 11.979 6.694 1.00 0.00 H new ATOM 0 HA THR A 118 -2.275 12.259 4.364 1.00 0.00 H new ATOM 0 HB THR A 118 -1.514 14.376 5.401 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.916 15.297 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.497 15.776 4.847 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.220 14.504 3.633 1.00 0.00 H new ATOM 0 HG23 THR A 118 -4.511 14.314 4.843 1.00 0.00 H new ATOM 1560 N GLU A 119 -1.698 11.160 7.314 1.00 0.00 N ATOM 1561 CA GLU A 119 -0.776 10.498 8.241 1.00 0.00 C ATOM 1562 C GLU A 119 -0.308 9.114 7.740 1.00 0.00 C ATOM 1563 O GLU A 119 -1.006 8.443 6.975 1.00 0.00 O ATOM 1564 CB GLU A 119 -1.402 10.410 9.649 1.00 0.00 C ATOM 1565 CG GLU A 119 -2.815 9.803 9.727 1.00 0.00 C ATOM 1566 CD GLU A 119 -3.921 10.839 9.480 1.00 0.00 C ATOM 1567 OE1 GLU A 119 -4.343 10.990 8.310 1.00 0.00 O ATOM 1568 OE2 GLU A 119 -4.365 11.503 10.447 1.00 0.00 O1- ATOM 0 H GLU A 119 -2.674 11.014 7.572 1.00 0.00 H new ATOM 0 HA GLU A 119 0.122 11.113 8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.740 9.820 10.282 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.436 11.414 10.072 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -2.903 9.002 8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -2.958 9.352 10.709 1.00 0.00 H new ATOM 1575 N LEU A 120 0.885 8.693 8.188 1.00 0.00 N ATOM 1576 CA LEU A 120 1.556 7.448 7.776 1.00 0.00 C ATOM 1577 C LEU A 120 1.683 6.436 8.930 1.00 0.00 C ATOM 1578 O LEU A 120 1.531 5.236 8.721 1.00 0.00 O ATOM 1579 CB LEU A 120 2.953 7.821 7.223 1.00 0.00 C ATOM 1580 CG LEU A 120 3.472 6.991 6.030 1.00 0.00 C ATOM 1581 CD1 LEU A 120 3.535 5.478 6.289 1.00 0.00 C ATOM 1582 CD2 LEU A 120 2.648 7.280 4.768 1.00 0.00 C ATOM 0 H LEU A 120 1.427 9.226 8.868 1.00 0.00 H new ATOM 0 HA LEU A 120 0.953 6.959 7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.932 8.869 6.924 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.674 7.736 8.036 1.00 0.00 H new ATOM 0 HG LEU A 120 4.503 7.312 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.910 4.972 5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.202 5.280 7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.537 5.107 6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.031 6.684 3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.604 7.023 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.723 8.339 4.519 1.00 0.00 H new ATOM 1594 N ASP A 121 1.969 6.906 10.149 1.00 0.00 N ATOM 1595 CA ASP A 121 2.206 6.050 11.319 1.00 0.00 C ATOM 1596 C ASP A 121 0.954 5.241 11.707 1.00 0.00 C ATOM 1597 O ASP A 121 1.058 4.031 11.919 1.00 0.00 O ATOM 1598 CB ASP A 121 2.672 6.912 12.504 1.00 0.00 C ATOM 1599 CG ASP A 121 3.995 7.649 12.227 1.00 0.00 C ATOM 1600 OD1 ASP A 121 5.057 7.194 12.712 1.00 0.00 O ATOM 1601 OD2 ASP A 121 3.960 8.698 11.540 1.00 0.00 O1- ATOM 0 H ASP A 121 2.043 7.902 10.354 1.00 0.00 H new ATOM 0 HA ASP A 121 2.984 5.333 11.057 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.898 7.642 12.742 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.792 6.278 13.382 1.00 0.00 H new ATOM 1606 N THR A 122 -0.207 5.920 11.785 1.00 0.00 N ATOM 1607 CA THR A 122 -1.554 5.375 12.083 1.00 0.00 C ATOM 1608 C THR A 122 -1.561 4.242 13.121 1.00 0.00 C ATOM 1609 O THR A 122 -2.240 3.231 12.950 1.00 0.00 O ATOM 1610 CB THR A 122 -2.346 5.052 10.796 1.00 0.00 C ATOM 1611 OG1 THR A 122 -1.544 4.428 9.819 1.00 0.00 O ATOM 1612 CG2 THR A 122 -2.892 6.331 10.170 1.00 0.00 C ATOM 0 H THR A 122 -0.235 6.928 11.633 1.00 0.00 H new ATOM 0 HA THR A 122 -2.097 6.179 12.580 1.00 0.00 H new ATOM 0 HB THR A 122 -3.150 4.380 11.097 1.00 0.00 H new ATOM 0 HG1 THR A 122 -1.357 3.505 10.090 1.00 0.00 H new ATOM 0 HG21 THR A 122 -3.447 6.085 9.265 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.555 6.828 10.878 1.00 0.00 H new ATOM 0 HG23 THR A 122 -2.065 6.995 9.919 1.00 0.00 H new ATOM 1620 N THR A 123 -0.794 4.417 14.208 1.00 0.00 N ATOM 1621 CA THR A 123 -0.572 3.444 15.294 1.00 0.00 C ATOM 1622 C THR A 123 -1.894 2.885 15.816 1.00 0.00 C ATOM 1623 O THR A 123 -2.880 3.618 15.885 1.00 0.00 O ATOM 1624 CB THR A 123 0.211 4.112 16.437 1.00 0.00 C ATOM 1625 OG1 THR A 123 1.218 4.955 15.913 1.00 0.00 O ATOM 1626 CG2 THR A 123 0.889 3.102 17.367 1.00 0.00 C ATOM 0 H THR A 123 -0.284 5.287 14.363 1.00 0.00 H new ATOM 0 HA THR A 123 0.008 2.612 14.895 1.00 0.00 H new ATOM 0 HB THR A 123 -0.522 4.677 17.012 1.00 0.00 H new ATOM 0 HG1 THR A 123 1.708 5.376 16.650 1.00 0.00 H new ATOM 0 HG21 THR A 123 1.425 3.634 18.153 1.00 0.00 H new ATOM 0 HG22 THR A 123 0.134 2.457 17.816 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.591 2.495 16.795 1.00 0.00 H new ATOM 1634 N HIS A 124 -1.932 1.610 16.224 1.00 0.00 N ATOM 1635 CA HIS A 124 -3.160 1.014 16.773 1.00 0.00 C ATOM 1636 C HIS A 124 -3.683 1.783 18.004 1.00 0.00 C ATOM 1637 O HIS A 124 -4.892 1.825 18.225 1.00 0.00 O ATOM 1638 CB HIS A 124 -2.902 -0.464 17.115 1.00 0.00 C ATOM 1639 CG HIS A 124 -4.049 -1.161 17.807 1.00 0.00 C ATOM 1640 ND1 HIS A 124 -3.950 -1.952 18.931 1.00 0.00 N ATOM 1641 CD2 HIS A 124 -5.382 -1.065 17.503 1.00 0.00 C ATOM 1642 CE1 HIS A 124 -5.191 -2.306 19.303 1.00 0.00 C ATOM 1643 NE2 HIS A 124 -6.101 -1.779 18.467 1.00 0.00 N ATOM 0 H HIS A 124 -1.135 0.975 16.186 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.939 1.081 16.013 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -2.670 -1.001 16.195 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -2.019 -0.527 17.751 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -5.804 -0.531 16.665 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -5.425 -2.927 20.155 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -7.114 -1.880 18.524 1.00 0.00 H new ATOM 1651 N PHE A 125 -2.789 2.393 18.803 1.00 0.00 N ATOM 1652 CA PHE A 125 -3.121 3.321 19.899 1.00 0.00 C ATOM 1653 C PHE A 125 -4.025 2.681 20.984 1.00 0.00 C ATOM 1654 O PHE A 125 -4.644 3.376 21.791 1.00 0.00 O ATOM 1655 CB PHE A 125 -3.685 4.620 19.282 1.00 0.00 C ATOM 1656 CG PHE A 125 -3.809 5.797 20.232 1.00 0.00 C ATOM 1657 CD1 PHE A 125 -2.652 6.447 20.704 1.00 0.00 C ATOM 1658 CD2 PHE A 125 -5.079 6.250 20.641 1.00 0.00 C ATOM 1659 CE1 PHE A 125 -2.764 7.533 21.591 1.00 0.00 C ATOM 1660 CE2 PHE A 125 -5.190 7.334 21.531 1.00 0.00 C ATOM 1661 CZ PHE A 125 -4.033 7.974 22.007 1.00 0.00 C ATOM 0 H PHE A 125 -1.784 2.249 18.700 1.00 0.00 H new ATOM 0 HA PHE A 125 -2.217 3.573 20.453 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.045 4.914 18.450 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -4.670 4.406 18.867 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.677 6.111 20.384 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.969 5.764 20.270 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -1.875 8.028 21.953 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.165 7.674 21.848 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.118 8.804 22.692 1.00 0.00 H new ATOM 1671 N LEU A 126 -4.107 1.341 20.988 1.00 0.00 N ATOM 1672 CA LEU A 126 -4.956 0.511 21.850 1.00 0.00 C ATOM 1673 C LEU A 126 -6.461 0.811 21.644 1.00 0.00 C ATOM 1674 O LEU A 126 -7.234 0.852 22.606 1.00 0.00 O ATOM 1675 CB LEU A 126 -4.470 0.572 23.318 1.00 0.00 C ATOM 1676 CG LEU A 126 -2.964 0.242 23.494 1.00 0.00 C ATOM 1677 CD1 LEU A 126 -2.180 1.471 23.980 1.00 0.00 C ATOM 1678 CD2 LEU A 126 -2.754 -0.920 24.474 1.00 0.00 C ATOM 0 H LEU A 126 -3.547 0.776 20.350 1.00 0.00 H new ATOM 0 HA LEU A 126 -4.852 -0.532 21.552 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.662 1.569 23.713 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -5.057 -0.126 23.915 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.588 -0.055 22.515 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.128 1.210 24.094 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.277 2.276 23.251 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.578 1.801 24.940 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.688 -1.124 24.573 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.165 -0.653 25.448 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.260 -1.809 24.098 1.00 0.00 H new ATOM 1690 N LEU A 127 -6.879 1.033 20.387 1.00 0.00 N ATOM 1691 CA LEU A 127 -8.287 1.178 19.976 1.00 0.00 C ATOM 1692 C LEU A 127 -9.157 -0.044 20.387 1.00 0.00 C ATOM 1693 O LEU A 127 -8.625 -1.139 20.605 1.00 0.00 O ATOM 1694 CB LEU A 127 -8.360 1.421 18.445 1.00 0.00 C ATOM 1695 CG LEU A 127 -8.642 2.881 18.028 1.00 0.00 C ATOM 1696 CD1 LEU A 127 -7.451 3.818 18.260 1.00 0.00 C ATOM 1697 CD2 LEU A 127 -9.043 2.926 16.545 1.00 0.00 C ATOM 0 H LEU A 127 -6.229 1.119 19.606 1.00 0.00 H new ATOM 0 HA LEU A 127 -8.700 2.039 20.501 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.417 1.107 17.997 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -9.139 0.783 18.028 1.00 0.00 H new ATOM 0 HG LEU A 127 -9.455 3.236 18.661 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -7.716 4.828 17.946 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -7.193 3.823 19.319 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -6.596 3.470 17.680 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -9.242 3.957 16.253 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -8.232 2.526 15.936 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -9.940 2.326 16.392 1.00 0.00 H new ATOM 1709 N PRO A 128 -10.500 0.107 20.455 1.00 0.00 N ATOM 1710 CA PRO A 128 -11.418 -0.974 20.823 1.00 0.00 C ATOM 1711 C PRO A 128 -11.643 -2.001 19.697 1.00 0.00 C ATOM 1712 O PRO A 128 -12.093 -3.111 19.979 1.00 0.00 O ATOM 1713 CB PRO A 128 -12.726 -0.270 21.199 1.00 0.00 C ATOM 1714 CG PRO A 128 -12.723 0.973 20.312 1.00 0.00 C ATOM 1715 CD PRO A 128 -11.243 1.347 20.257 1.00 0.00 C ATOM 0 HA PRO A 128 -11.004 -1.563 21.641 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -13.593 -0.901 21.004 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -12.753 -0.009 22.257 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -13.124 0.763 19.320 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -13.327 1.775 20.737 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -10.992 1.802 19.299 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -10.997 2.075 21.030 1.00 0.00 H new ATOM 1723 N VAL A 129 -11.329 -1.655 18.442 1.00 0.00 N ATOM 1724 CA VAL A 129 -11.399 -2.532 17.260 1.00 0.00 C ATOM 1725 C VAL A 129 -10.184 -2.300 16.358 1.00 0.00 C ATOM 1726 O VAL A 129 -9.656 -1.187 16.291 1.00 0.00 O ATOM 1727 CB VAL A 129 -12.696 -2.330 16.433 1.00 0.00 C ATOM 1728 CG1 VAL A 129 -13.934 -2.833 17.191 1.00 0.00 C ATOM 1729 CG2 VAL A 129 -12.928 -0.874 15.984 1.00 0.00 C ATOM 0 H VAL A 129 -11.005 -0.716 18.210 1.00 0.00 H new ATOM 0 HA VAL A 129 -11.405 -3.556 17.634 1.00 0.00 H new ATOM 0 HB VAL A 129 -12.549 -2.927 15.533 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -14.823 -2.675 16.581 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -13.824 -3.896 17.403 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -14.035 -2.285 18.128 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -13.854 -0.813 15.411 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -13.000 -0.230 16.860 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -12.094 -0.548 15.362 1.00 0.00 H new ATOM 1739 N LEU A 130 -9.771 -3.347 15.638 1.00 0.00 N ATOM 1740 CA LEU A 130 -8.728 -3.294 14.614 1.00 0.00 C ATOM 1741 C LEU A 130 -9.034 -4.308 13.506 1.00 0.00 C ATOM 1742 O LEU A 130 -9.476 -5.424 13.793 1.00 0.00 O ATOM 1743 CB LEU A 130 -7.334 -3.467 15.264 1.00 0.00 C ATOM 1744 CG LEU A 130 -6.911 -4.900 15.685 1.00 0.00 C ATOM 1745 CD1 LEU A 130 -6.328 -5.704 14.508 1.00 0.00 C ATOM 1746 CD2 LEU A 130 -5.841 -4.824 16.783 1.00 0.00 C ATOM 0 H LEU A 130 -10.165 -4.280 15.756 1.00 0.00 H new ATOM 0 HA LEU A 130 -8.713 -2.316 14.134 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.588 -3.088 14.565 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -7.294 -2.831 16.149 1.00 0.00 H new ATOM 0 HG LEU A 130 -7.809 -5.404 16.043 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -6.047 -6.699 14.851 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -7.076 -5.790 13.720 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -5.448 -5.192 14.118 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -5.547 -5.832 17.075 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -4.970 -4.287 16.406 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -6.245 -4.298 17.648 1.00 0.00 H new ATOM 1758 N GLY A 131 -8.798 -3.912 12.250 1.00 0.00 N ATOM 1759 CA GLY A 131 -8.898 -4.775 11.065 1.00 0.00 C ATOM 1760 C GLY A 131 -10.196 -5.598 10.985 1.00 0.00 C ATOM 1761 O GLY A 131 -11.269 -5.143 11.388 1.00 0.00 O ATOM 0 H GLY A 131 -8.525 -2.956 12.022 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.820 -4.155 10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.048 -5.458 11.055 1.00 0.00 H new ATOM 1765 N ARG A 132 -10.065 -6.827 10.466 1.00 0.00 N ATOM 1766 CA ARG A 132 -11.086 -7.897 10.500 1.00 0.00 C ATOM 1767 C ARG A 132 -10.553 -9.219 11.092 1.00 0.00 C ATOM 1768 O ARG A 132 -11.321 -10.168 11.238 1.00 0.00 O ATOM 1769 CB ARG A 132 -11.624 -8.132 9.071 1.00 0.00 C ATOM 1770 CG ARG A 132 -12.567 -7.013 8.594 1.00 0.00 C ATOM 1771 CD ARG A 132 -14.025 -7.255 9.013 1.00 0.00 C ATOM 1772 NE ARG A 132 -14.845 -7.664 7.858 1.00 0.00 N ATOM 1773 CZ ARG A 132 -16.137 -7.968 7.871 1.00 0.00 C ATOM 1774 NH1 ARG A 132 -16.835 -8.007 8.987 1.00 0.00 N1+ ATOM 1775 NH2 ARG A 132 -16.750 -8.244 6.740 1.00 0.00 N ATOM 0 H ARG A 132 -9.212 -7.120 9.990 1.00 0.00 H new ATOM 0 HA ARG A 132 -11.888 -7.564 11.159 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -10.784 -8.211 8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -12.153 -9.084 9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -12.229 -6.060 9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -12.512 -6.934 7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -14.063 -8.026 9.782 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -14.437 -6.346 9.452 1.00 0.00 H new ATOM 0 HE ARG A 132 -14.371 -7.719 6.957 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -16.384 -7.800 9.878 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -17.827 -8.244 8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -16.233 -8.223 5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -17.743 -8.479 6.742 1.00 0.00 H new ATOM 1789 N HIS A 133 -9.249 -9.311 11.393 1.00 0.00 N ATOM 1790 CA HIS A 133 -8.570 -10.498 11.952 1.00 0.00 C ATOM 1791 C HIS A 133 -8.617 -11.736 11.010 1.00 0.00 C ATOM 1792 O HIS A 133 -8.486 -12.879 11.448 1.00 0.00 O ATOM 1793 CB HIS A 133 -9.115 -10.758 13.373 1.00 0.00 C ATOM 1794 CG HIS A 133 -8.203 -11.574 14.257 1.00 0.00 C ATOM 1795 ND1 HIS A 133 -8.382 -12.890 14.622 1.00 0.00 N ATOM 1796 CD2 HIS A 133 -7.075 -11.131 14.896 1.00 0.00 C ATOM 1797 CE1 HIS A 133 -7.386 -13.231 15.457 1.00 0.00 C ATOM 1798 NE2 HIS A 133 -6.557 -12.188 15.657 1.00 0.00 N ATOM 0 H HIS A 133 -8.609 -8.530 11.249 1.00 0.00 H new ATOM 0 HA HIS A 133 -7.502 -10.295 12.032 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -9.305 -9.799 13.856 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -10.074 -11.270 13.292 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -6.657 -10.138 14.825 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -7.267 -14.206 15.906 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -5.722 -12.171 16.243 1.00 0.00 H new ATOM 1806 N HIS A 134 -8.842 -11.526 9.706 1.00 0.00 N ATOM 1807 CA HIS A 134 -9.147 -12.597 8.746 1.00 0.00 C ATOM 1808 C HIS A 134 -7.891 -13.341 8.243 1.00 0.00 C ATOM 1809 O HIS A 134 -7.900 -14.566 8.112 1.00 0.00 O ATOM 1810 CB HIS A 134 -9.932 -11.977 7.577 1.00 0.00 C ATOM 1811 CG HIS A 134 -10.488 -12.991 6.605 1.00 0.00 C ATOM 1812 ND1 HIS A 134 -11.803 -13.390 6.508 1.00 0.00 N ATOM 1813 CD2 HIS A 134 -9.791 -13.677 5.644 1.00 0.00 C ATOM 1814 CE1 HIS A 134 -11.892 -14.299 5.522 1.00 0.00 C ATOM 1815 NE2 HIS A 134 -10.686 -14.516 4.965 1.00 0.00 N ATOM 0 H HIS A 134 -8.817 -10.598 9.283 1.00 0.00 H new ATOM 0 HA HIS A 134 -9.744 -13.356 9.252 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -10.754 -11.385 7.978 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -9.279 -11.291 7.037 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -8.733 -13.587 5.444 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -12.806 -14.788 5.218 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -10.468 -15.159 4.204 1.00 0.00 H new ATOM 1823 N SER A 135 -6.802 -12.623 7.955 1.00 0.00 N ATOM 1824 CA SER A 135 -5.557 -13.206 7.428 1.00 0.00 C ATOM 1825 C SER A 135 -4.776 -13.997 8.485 1.00 0.00 C ATOM 1826 O SER A 135 -4.174 -15.023 8.156 1.00 0.00 O ATOM 1827 CB SER A 135 -4.666 -12.087 6.878 1.00 0.00 C ATOM 1828 OG SER A 135 -4.493 -11.057 7.846 1.00 0.00 O ATOM 0 H SER A 135 -6.755 -11.612 8.081 1.00 0.00 H new ATOM 0 HA SER A 135 -5.837 -13.905 6.640 1.00 0.00 H new ATOM 0 HB2 SER A 135 -3.695 -12.494 6.596 1.00 0.00 H new ATOM 0 HB3 SER A 135 -5.112 -11.672 5.974 1.00 0.00 H new ATOM 0 HG SER A 135 -4.524 -10.183 7.403 1.00 0.00 H new ATOM 1834 N LEU A 136 -4.785 -13.509 9.737 1.00 0.00 N ATOM 1835 CA LEU A 136 -4.162 -14.072 10.947 1.00 0.00 C ATOM 1836 C LEU A 136 -2.630 -13.927 10.895 1.00 0.00 C ATOM 1837 O LEU A 136 -2.032 -13.292 11.763 1.00 0.00 O ATOM 1838 CB LEU A 136 -4.651 -15.530 11.151 1.00 0.00 C ATOM 1839 CG LEU A 136 -4.538 -16.141 12.564 1.00 0.00 C ATOM 1840 CD1 LEU A 136 -3.090 -16.307 13.045 1.00 0.00 C ATOM 1841 CD2 LEU A 136 -5.357 -15.358 13.600 1.00 0.00 C ATOM 0 H LEU A 136 -5.270 -12.636 9.946 1.00 0.00 H new ATOM 0 HA LEU A 136 -4.474 -13.509 11.827 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -5.698 -15.576 10.850 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -4.093 -16.168 10.466 1.00 0.00 H new ATOM 0 HG LEU A 136 -4.960 -17.142 12.473 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -3.086 -16.742 14.045 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -2.553 -16.964 12.362 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -2.601 -15.333 13.071 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.247 -15.825 14.579 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -4.998 -14.330 13.646 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.408 -15.363 13.312 1.00 0.00 H new ATOM 1853 N SER A 137 -2.004 -14.480 9.860 1.00 0.00 N ATOM 1854 CA SER A 137 -0.572 -14.400 9.566 1.00 0.00 C ATOM 1855 C SER A 137 -0.263 -13.258 8.575 1.00 0.00 C ATOM 1856 O SER A 137 0.094 -12.158 8.993 1.00 0.00 O ATOM 1857 CB SER A 137 -0.085 -15.774 9.072 1.00 0.00 C ATOM 1858 OG SER A 137 -0.846 -16.257 7.968 1.00 0.00 O ATOM 0 H SER A 137 -2.509 -15.027 9.163 1.00 0.00 H new ATOM 0 HA SER A 137 -0.022 -14.153 10.474 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.964 -15.702 8.783 1.00 0.00 H new ATOM 0 HB3 SER A 137 -0.142 -16.492 9.890 1.00 0.00 H new ATOM 0 HG SER A 137 -0.499 -17.130 7.689 1.00 0.00 H new ATOM 1864 N GLY A 138 -0.378 -13.482 7.259 1.00 0.00 N ATOM 1865 CA GLY A 138 -0.119 -12.486 6.207 1.00 0.00 C ATOM 1866 C GLY A 138 1.371 -12.194 6.025 1.00 0.00 C ATOM 1867 O GLY A 138 1.978 -12.629 5.049 1.00 0.00 O ATOM 0 H GLY A 138 -0.662 -14.387 6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -0.533 -12.843 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -0.639 -11.560 6.453 1.00 0.00 H new ATOM 1871 N ALA A 139 1.966 -11.482 6.984 1.00 0.00 N ATOM 1872 CA ALA A 139 3.410 -11.267 7.120 1.00 0.00 C ATOM 1873 C ALA A 139 3.977 -12.185 8.219 1.00 0.00 C ATOM 1874 O ALA A 139 4.448 -11.735 9.266 1.00 0.00 O ATOM 1875 CB ALA A 139 3.704 -9.779 7.353 1.00 0.00 C ATOM 0 H ALA A 139 1.432 -11.019 7.720 1.00 0.00 H new ATOM 0 HA ALA A 139 3.919 -11.539 6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.779 -9.632 7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.335 -9.198 6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.207 -9.448 8.265 1.00 0.00 H new ATOM 1881 N THR A 140 3.921 -13.497 7.949 1.00 0.00 N ATOM 1882 CA THR A 140 4.631 -14.551 8.699 1.00 0.00 C ATOM 1883 C THR A 140 6.158 -14.430 8.557 1.00 0.00 C ATOM 1884 O THR A 140 6.901 -14.843 9.448 1.00 0.00 O ATOM 1885 CB THR A 140 4.096 -15.928 8.266 1.00 0.00 C ATOM 1886 OG1 THR A 140 4.762 -16.958 8.961 1.00 0.00 O ATOM 1887 CG2 THR A 140 4.221 -16.209 6.764 1.00 0.00 C ATOM 0 H THR A 140 3.364 -13.869 7.180 1.00 0.00 H new ATOM 0 HA THR A 140 4.433 -14.428 9.764 1.00 0.00 H new ATOM 0 HB THR A 140 3.033 -15.905 8.508 1.00 0.00 H new ATOM 0 HG1 THR A 140 4.409 -17.827 8.675 1.00 0.00 H new ATOM 0 HG21 THR A 140 3.821 -17.199 6.545 1.00 0.00 H new ATOM 0 HG22 THR A 140 3.660 -15.459 6.206 1.00 0.00 H new ATOM 0 HG23 THR A 140 5.271 -16.169 6.472 1.00 0.00 H new ATOM 1895 N GLU A 141 6.623 -13.810 7.469 1.00 0.00 N ATOM 1896 CA GLU A 141 8.029 -13.496 7.199 1.00 0.00 C ATOM 1897 C GLU A 141 8.608 -12.459 8.198 1.00 0.00 C ATOM 1898 O GLU A 141 7.850 -11.648 8.745 1.00 0.00 O ATOM 1899 CB GLU A 141 8.159 -12.980 5.753 1.00 0.00 C ATOM 1900 CG GLU A 141 7.749 -13.991 4.669 1.00 0.00 C ATOM 1901 CD GLU A 141 8.641 -15.245 4.654 1.00 0.00 C ATOM 1902 OE1 GLU A 141 9.669 -15.255 3.937 1.00 0.00 O ATOM 1903 OE2 GLU A 141 8.304 -16.242 5.335 1.00 0.00 O1- ATOM 0 H GLU A 141 6.004 -13.500 6.720 1.00 0.00 H new ATOM 0 HA GLU A 141 8.610 -14.409 7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 141 7.547 -12.085 5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 141 9.193 -12.682 5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.713 -14.290 4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 141 7.793 -13.508 3.693 1.00 0.00 H new ATOM 1910 N PRO A 142 9.937 -12.467 8.444 1.00 0.00 N ATOM 1911 CA PRO A 142 10.604 -11.598 9.419 1.00 0.00 C ATOM 1912 C PRO A 142 10.780 -10.146 8.929 1.00 0.00 C ATOM 1913 O PRO A 142 10.365 -9.771 7.832 1.00 0.00 O ATOM 1914 CB PRO A 142 11.951 -12.286 9.692 1.00 0.00 C ATOM 1915 CG PRO A 142 12.270 -12.955 8.359 1.00 0.00 C ATOM 1916 CD PRO A 142 10.893 -13.427 7.903 1.00 0.00 C ATOM 0 HA PRO A 142 10.003 -11.487 10.322 1.00 0.00 H new ATOM 0 HB2 PRO A 142 12.720 -11.569 9.978 1.00 0.00 H new ATOM 0 HB3 PRO A 142 11.877 -13.013 10.501 1.00 0.00 H new ATOM 0 HG2 PRO A 142 12.718 -12.259 7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 142 12.968 -13.784 8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 142 10.834 -13.465 6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 142 10.685 -14.433 8.268 1.00 0.00 H new ATOM 1924 N ASP A 143 11.445 -9.327 9.755 1.00 0.00 N ATOM 1925 CA ASP A 143 11.751 -7.907 9.502 1.00 0.00 C ATOM 1926 C ASP A 143 12.596 -7.668 8.233 1.00 0.00 C ATOM 1927 O ASP A 143 12.604 -6.566 7.686 1.00 0.00 O ATOM 1928 CB ASP A 143 12.505 -7.363 10.726 1.00 0.00 C ATOM 1929 CG ASP A 143 12.689 -5.835 10.692 1.00 0.00 C ATOM 1930 OD1 ASP A 143 11.672 -5.104 10.734 1.00 0.00 O ATOM 1931 OD2 ASP A 143 13.855 -5.371 10.675 1.00 0.00 O1- ATOM 0 H ASP A 143 11.801 -9.646 10.656 1.00 0.00 H new ATOM 0 HA ASP A 143 10.806 -7.390 9.336 1.00 0.00 H new ATOM 0 HB2 ASP A 143 11.963 -7.638 11.631 1.00 0.00 H new ATOM 0 HB3 ASP A 143 13.484 -7.840 10.784 1.00 0.00 H new ATOM 1936 N ASP A 144 13.283 -8.709 7.750 1.00 0.00 N ATOM 1937 CA ASP A 144 14.098 -8.698 6.529 1.00 0.00 C ATOM 1938 C ASP A 144 13.268 -8.427 5.254 1.00 0.00 C ATOM 1939 O ASP A 144 13.808 -7.933 4.262 1.00 0.00 O ATOM 1940 CB ASP A 144 14.844 -10.039 6.432 1.00 0.00 C ATOM 1941 CG ASP A 144 15.991 -9.993 5.408 1.00 0.00 C ATOM 1942 OD1 ASP A 144 15.919 -10.706 4.379 1.00 0.00 O ATOM 1943 OD2 ASP A 144 16.987 -9.273 5.660 1.00 0.00 O1- ATOM 0 H ASP A 144 13.287 -9.616 8.216 1.00 0.00 H new ATOM 0 HA ASP A 144 14.808 -7.874 6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 144 15.244 -10.302 7.411 1.00 0.00 H new ATOM 0 HB3 ASP A 144 14.141 -10.824 6.153 1.00 0.00 H new ATOM 1948 N GLU A 145 11.957 -8.695 5.302 1.00 0.00 N ATOM 1949 CA GLU A 145 10.978 -8.269 4.299 1.00 0.00 C ATOM 1950 C GLU A 145 10.565 -6.809 4.569 1.00 0.00 C ATOM 1951 O GLU A 145 11.023 -5.913 3.855 1.00 0.00 O ATOM 1952 CB GLU A 145 9.777 -9.236 4.277 1.00 0.00 C ATOM 1953 CG GLU A 145 9.980 -10.440 3.343 1.00 0.00 C ATOM 1954 CD GLU A 145 11.275 -11.235 3.589 1.00 0.00 C ATOM 1955 OE1 GLU A 145 12.072 -11.389 2.631 1.00 0.00 O ATOM 1956 OE2 GLU A 145 11.486 -11.739 4.715 1.00 0.00 O1- ATOM 0 H GLU A 145 11.538 -9.230 6.063 1.00 0.00 H new ATOM 0 HA GLU A 145 11.423 -8.304 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 145 9.592 -9.597 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 145 8.886 -8.690 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 145 9.130 -11.114 3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 145 9.977 -10.087 2.312 1.00 0.00 H new ATOM 1963 N ARG A 146 9.754 -6.557 5.614 1.00 0.00 N ATOM 1964 CA ARG A 146 9.345 -5.201 6.044 1.00 0.00 C ATOM 1965 C ARG A 146 8.643 -5.152 7.414 1.00 0.00 C ATOM 1966 O ARG A 146 8.964 -4.282 8.221 1.00 0.00 O ATOM 1967 CB ARG A 146 8.458 -4.526 4.969 1.00 0.00 C ATOM 1968 CG ARG A 146 8.108 -3.057 5.266 1.00 0.00 C ATOM 1969 CD ARG A 146 9.313 -2.111 5.335 1.00 0.00 C ATOM 1970 NE ARG A 146 8.896 -0.778 5.808 1.00 0.00 N ATOM 1971 CZ ARG A 146 9.661 0.306 5.885 1.00 0.00 C ATOM 1972 NH1 ARG A 146 10.911 0.310 5.472 1.00 0.00 N1+ ATOM 1973 NH2 ARG A 146 9.166 1.418 6.383 1.00 0.00 N ATOM 0 H ARG A 146 9.358 -7.298 6.193 1.00 0.00 H new ATOM 0 HA ARG A 146 10.276 -4.646 6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 146 8.970 -4.578 4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 146 7.533 -5.094 4.869 1.00 0.00 H new ATOM 0 HG2 ARG A 146 7.425 -2.698 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 146 7.572 -3.010 6.214 1.00 0.00 H new ATOM 0 HD2 ARG A 146 10.068 -2.522 6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 146 9.774 -2.027 4.351 1.00 0.00 H new ATOM 0 HE ARG A 146 7.925 -0.678 6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 146 11.321 -0.537 5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 146 11.470 1.160 5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 146 8.199 1.445 6.708 1.00 0.00 H new ATOM 0 HH22 ARG A 146 9.749 2.253 6.445 1.00 0.00 H new ATOM 1987 N VAL A 147 7.676 -6.041 7.667 1.00 0.00 N ATOM 1988 CA VAL A 147 6.877 -6.104 8.914 1.00 0.00 C ATOM 1989 C VAL A 147 6.738 -7.550 9.401 1.00 0.00 C ATOM 1990 O VAL A 147 6.826 -8.478 8.600 1.00 0.00 O ATOM 1991 CB VAL A 147 5.470 -5.468 8.769 1.00 0.00 C ATOM 1992 CG1 VAL A 147 5.552 -3.971 8.449 1.00 0.00 C ATOM 1993 CG2 VAL A 147 4.583 -6.156 7.718 1.00 0.00 C ATOM 0 H VAL A 147 7.413 -6.762 6.995 1.00 0.00 H new ATOM 0 HA VAL A 147 7.425 -5.517 9.651 1.00 0.00 H new ATOM 0 HB VAL A 147 5.002 -5.613 9.743 1.00 0.00 H new ATOM 0 HG11 VAL A 147 4.545 -3.563 8.355 1.00 0.00 H new ATOM 0 HG12 VAL A 147 6.079 -3.456 9.252 1.00 0.00 H new ATOM 0 HG13 VAL A 147 6.090 -3.828 7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 147 3.616 -5.655 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.065 -6.100 6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 147 4.439 -7.201 7.992 1.00 0.00 H new ATOM 2003 N LEU A 148 6.515 -7.723 10.710 1.00 0.00 N ATOM 2004 CA LEU A 148 6.406 -9.029 11.377 1.00 0.00 C ATOM 2005 C LEU A 148 5.021 -9.287 12.007 1.00 0.00 C ATOM 2006 O LEU A 148 4.789 -10.372 12.544 1.00 0.00 O ATOM 2007 CB LEU A 148 7.460 -9.154 12.500 1.00 0.00 C ATOM 2008 CG LEU A 148 8.903 -8.666 12.245 1.00 0.00 C ATOM 2009 CD1 LEU A 148 9.047 -7.140 12.415 1.00 0.00 C ATOM 2010 CD2 LEU A 148 9.831 -9.362 13.253 1.00 0.00 C ATOM 0 H LEU A 148 6.402 -6.939 11.352 1.00 0.00 H new ATOM 0 HA LEU A 148 6.569 -9.767 10.591 1.00 0.00 H new ATOM 0 HB2 LEU A 148 7.080 -8.613 13.366 1.00 0.00 H new ATOM 0 HB3 LEU A 148 7.515 -10.206 12.781 1.00 0.00 H new ATOM 0 HG LEU A 148 9.165 -8.910 11.215 1.00 0.00 H new ATOM 0 HD11 LEU A 148 10.080 -6.849 12.225 1.00 0.00 H new ATOM 0 HD12 LEU A 148 8.391 -6.632 11.709 1.00 0.00 H new ATOM 0 HD13 LEU A 148 8.772 -6.860 13.432 1.00 0.00 H new ATOM 0 HD21 LEU A 148 10.857 -9.032 13.091 1.00 0.00 H new ATOM 0 HD22 LEU A 148 9.523 -9.107 14.267 1.00 0.00 H new ATOM 0 HD23 LEU A 148 9.772 -10.442 13.117 1.00 0.00 H new ATOM 2022 N GLY A 149 4.130 -8.285 12.015 1.00 0.00 N ATOM 2023 CA GLY A 149 2.853 -8.319 12.737 1.00 0.00 C ATOM 2024 C GLY A 149 1.822 -9.132 11.966 1.00 0.00 C ATOM 2025 O GLY A 149 1.579 -10.292 12.303 1.00 0.00 O ATOM 0 H GLY A 149 4.281 -7.412 11.510 1.00 0.00 H new ATOM 0 HA2 GLY A 149 3.000 -8.753 13.726 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.486 -7.303 12.885 1.00 0.00 H new ATOM 2029 N TRP A 150 1.264 -8.526 10.913 1.00 0.00 N ATOM 2030 CA TRP A 150 0.340 -9.139 9.950 1.00 0.00 C ATOM 2031 C TRP A 150 -0.019 -8.201 8.782 1.00 0.00 C ATOM 2032 O TRP A 150 0.364 -7.030 8.753 1.00 0.00 O ATOM 2033 CB TRP A 150 -0.915 -9.722 10.649 1.00 0.00 C ATOM 2034 CG TRP A 150 -1.584 -8.858 11.671 1.00 0.00 C ATOM 2035 CD1 TRP A 150 -1.612 -9.127 12.995 1.00 0.00 C ATOM 2036 CD2 TRP A 150 -2.291 -7.589 11.503 1.00 0.00 C ATOM 2037 NE1 TRP A 150 -2.271 -8.117 13.663 1.00 0.00 N ATOM 2038 CE2 TRP A 150 -2.684 -7.130 12.796 1.00 0.00 C ATOM 2039 CE3 TRP A 150 -2.616 -6.757 10.408 1.00 0.00 C ATOM 2040 CZ2 TRP A 150 -3.323 -5.902 12.995 1.00 0.00 C ATOM 2041 CZ3 TRP A 150 -3.258 -5.521 10.599 1.00 0.00 C ATOM 2042 CH2 TRP A 150 -3.619 -5.093 11.887 1.00 0.00 C ATOM 0 H TRP A 150 1.453 -7.547 10.698 1.00 0.00 H new ATOM 0 HA TRP A 150 0.873 -9.977 9.501 1.00 0.00 H new ATOM 0 HB2 TRP A 150 -1.648 -9.968 9.880 1.00 0.00 H new ATOM 0 HB3 TRP A 150 -0.631 -10.658 11.130 1.00 0.00 H new ATOM 0 HD1 TRP A 150 -1.183 -10.002 13.460 1.00 0.00 H new ATOM 0 HE1 TRP A 150 -2.432 -8.103 14.670 1.00 0.00 H new ATOM 0 HE3 TRP A 150 -2.367 -7.076 9.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 150 -3.586 -5.579 13.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 150 -3.476 -4.894 9.747 1.00 0.00 H new ATOM 0 HH2 TRP A 150 -4.121 -4.147 12.024 1.00 0.00 H new ATOM 2053 N VAL A 151 -0.784 -8.727 7.821 1.00 0.00 N ATOM 2054 CA VAL A 151 -1.344 -7.991 6.674 1.00 0.00 C ATOM 2055 C VAL A 151 -2.532 -8.753 6.084 1.00 0.00 C ATOM 2056 O VAL A 151 -2.446 -9.957 5.853 1.00 0.00 O ATOM 2057 CB VAL A 151 -0.288 -7.594 5.598 1.00 0.00 C ATOM 2058 CG1 VAL A 151 0.807 -8.649 5.410 1.00 0.00 C ATOM 2059 CG2 VAL A 151 -0.859 -7.311 4.194 1.00 0.00 C ATOM 0 H VAL A 151 -1.042 -9.714 7.817 1.00 0.00 H new ATOM 0 HA VAL A 151 -1.705 -7.036 7.056 1.00 0.00 H new ATOM 0 HB VAL A 151 0.116 -6.671 6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 151 1.510 -8.312 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 151 1.336 -8.796 6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.355 -9.590 5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.047 -7.044 3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.364 -8.202 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -1.571 -6.487 4.250 1.00 0.00 H new ATOM 2069 N GLU A 152 -3.642 -8.046 5.875 1.00 0.00 N ATOM 2070 CA GLU A 152 -4.852 -8.531 5.200 1.00 0.00 C ATOM 2071 C GLU A 152 -4.827 -8.099 3.725 1.00 0.00 C ATOM 2072 O GLU A 152 -4.206 -7.091 3.390 1.00 0.00 O ATOM 2073 CB GLU A 152 -6.110 -8.013 5.926 1.00 0.00 C ATOM 2074 CG GLU A 152 -7.131 -9.115 6.236 1.00 0.00 C ATOM 2075 CD GLU A 152 -7.813 -9.673 4.982 1.00 0.00 C ATOM 2076 OE1 GLU A 152 -7.212 -10.548 4.317 1.00 0.00 O ATOM 2077 OE2 GLU A 152 -8.948 -9.246 4.679 1.00 0.00 O1- ATOM 0 H GLU A 152 -3.729 -7.078 6.184 1.00 0.00 H new ATOM 0 HA GLU A 152 -4.880 -9.620 5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -5.811 -7.532 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -6.586 -7.249 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -6.631 -9.928 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -7.891 -8.719 6.910 1.00 0.00 H new ATOM 2084 N LEU A 153 -5.473 -8.863 2.840 1.00 0.00 N ATOM 2085 CA LEU A 153 -5.241 -8.828 1.390 1.00 0.00 C ATOM 2086 C LEU A 153 -6.423 -9.417 0.595 1.00 0.00 C ATOM 2087 O LEU A 153 -6.313 -10.469 -0.039 1.00 0.00 O ATOM 2088 CB LEU A 153 -3.851 -9.439 1.050 1.00 0.00 C ATOM 2089 CG LEU A 153 -3.348 -10.646 1.885 1.00 0.00 C ATOM 2090 CD1 LEU A 153 -4.286 -11.863 1.887 1.00 0.00 C ATOM 2091 CD2 LEU A 153 -1.973 -11.091 1.366 1.00 0.00 C ATOM 0 H LEU A 153 -6.187 -9.538 3.115 1.00 0.00 H new ATOM 0 HA LEU A 153 -5.200 -7.790 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -3.870 -9.745 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -3.110 -8.645 1.136 1.00 0.00 H new ATOM 0 HG LEU A 153 -3.302 -10.289 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 153 -3.852 -12.656 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -5.253 -11.576 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 153 -4.420 -12.221 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 153 -1.620 -11.939 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 153 -2.056 -11.383 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -1.266 -10.267 1.457 1.00 0.00 H new ATOM 2103 N GLU A 154 -7.565 -8.723 0.617 1.00 0.00 N ATOM 2104 CA GLU A 154 -8.800 -9.120 -0.066 1.00 0.00 C ATOM 2105 C GLU A 154 -9.191 -8.071 -1.130 1.00 0.00 C ATOM 2106 O GLU A 154 -9.519 -6.924 -0.817 1.00 0.00 O ATOM 2107 CB GLU A 154 -9.898 -9.338 0.994 1.00 0.00 C ATOM 2108 CG GLU A 154 -11.001 -10.285 0.508 1.00 0.00 C ATOM 2109 CD GLU A 154 -12.082 -10.488 1.583 1.00 0.00 C ATOM 2110 OE1 GLU A 154 -12.801 -9.518 1.922 1.00 0.00 O ATOM 2111 OE2 GLU A 154 -12.246 -11.631 2.070 1.00 0.00 O1- ATOM 0 H GLU A 154 -7.658 -7.844 1.125 1.00 0.00 H new ATOM 0 HA GLU A 154 -8.657 -10.057 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -9.448 -9.743 1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -10.339 -8.377 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -11.457 -9.881 -0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -10.565 -11.248 0.243 1.00 0.00 H new ATOM 2118 N LEU A 155 -9.161 -8.468 -2.407 1.00 0.00 N ATOM 2119 CA LEU A 155 -9.341 -7.601 -3.582 1.00 0.00 C ATOM 2120 C LEU A 155 -9.479 -8.421 -4.880 1.00 0.00 C ATOM 2121 O LEU A 155 -9.388 -9.650 -4.866 1.00 0.00 O ATOM 2122 CB LEU A 155 -8.214 -6.536 -3.677 1.00 0.00 C ATOM 2123 CG LEU A 155 -6.777 -7.073 -3.894 1.00 0.00 C ATOM 2124 CD1 LEU A 155 -5.935 -6.028 -4.645 1.00 0.00 C ATOM 2125 CD2 LEU A 155 -6.083 -7.472 -2.580 1.00 0.00 C ATOM 0 H LEU A 155 -9.004 -9.443 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 155 -10.279 -7.062 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 155 -8.453 -5.858 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 155 -8.224 -5.945 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 155 -6.861 -7.980 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 155 -4.926 -6.413 -4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 155 -6.391 -5.821 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 155 -5.890 -5.109 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 155 -5.080 -7.841 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 155 -6.017 -6.603 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 155 -6.659 -8.255 -2.087 1.00 0.00 H new ATOM 2137 N SER A 156 -9.671 -7.740 -6.010 1.00 0.00 N ATOM 2138 CA SER A 156 -9.545 -8.338 -7.352 1.00 0.00 C ATOM 2139 C SER A 156 -8.084 -8.734 -7.671 1.00 0.00 C ATOM 2140 O SER A 156 -7.150 -8.309 -6.993 1.00 0.00 O ATOM 2141 CB SER A 156 -10.077 -7.363 -8.417 1.00 0.00 C ATOM 2142 OG SER A 156 -11.463 -7.095 -8.245 1.00 0.00 O ATOM 0 H SER A 156 -9.920 -6.751 -6.027 1.00 0.00 H new ATOM 0 HA SER A 156 -10.142 -9.250 -7.366 1.00 0.00 H new ATOM 0 HB2 SER A 156 -9.518 -6.429 -8.366 1.00 0.00 H new ATOM 0 HB3 SER A 156 -9.909 -7.782 -9.409 1.00 0.00 H new ATOM 0 HG SER A 156 -11.764 -6.471 -8.938 1.00 0.00 H new ATOM 2148 N HIS A 157 -7.846 -9.529 -8.722 1.00 0.00 N ATOM 2149 CA HIS A 157 -6.520 -10.118 -9.001 1.00 0.00 C ATOM 2150 C HIS A 157 -5.399 -9.092 -9.318 1.00 0.00 C ATOM 2151 O HIS A 157 -4.221 -9.452 -9.264 1.00 0.00 O ATOM 2152 CB HIS A 157 -6.656 -11.126 -10.157 1.00 0.00 C ATOM 2153 CG HIS A 157 -7.398 -12.411 -9.851 1.00 0.00 C ATOM 2154 ND1 HIS A 157 -7.393 -13.534 -10.649 1.00 0.00 N ATOM 2155 CD2 HIS A 157 -8.166 -12.711 -8.754 1.00 0.00 C ATOM 2156 CE1 HIS A 157 -8.137 -14.480 -10.054 1.00 0.00 C ATOM 2157 NE2 HIS A 157 -8.636 -14.025 -8.890 1.00 0.00 N ATOM 0 H HIS A 157 -8.561 -9.784 -9.403 1.00 0.00 H new ATOM 0 HA HIS A 157 -6.203 -10.605 -8.079 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -7.162 -10.629 -10.985 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -5.655 -11.384 -10.504 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -8.373 -12.048 -7.927 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -8.311 -15.468 -10.454 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -9.235 -14.533 -8.239 1.00 0.00 H new ATOM 2165 N HIS A 158 -5.755 -7.840 -9.642 1.00 0.00 N ATOM 2166 CA HIS A 158 -4.868 -6.706 -9.970 1.00 0.00 C ATOM 2167 C HIS A 158 -4.226 -6.836 -11.378 1.00 0.00 C ATOM 2168 O HIS A 158 -4.296 -7.884 -12.029 1.00 0.00 O ATOM 2169 CB HIS A 158 -3.843 -6.462 -8.837 1.00 0.00 C ATOM 2170 CG HIS A 158 -3.133 -5.133 -8.918 1.00 0.00 C ATOM 2171 ND1 HIS A 158 -3.616 -3.915 -8.491 1.00 0.00 N ATOM 2172 CD2 HIS A 158 -1.898 -4.904 -9.466 1.00 0.00 C ATOM 2173 CE1 HIS A 158 -2.697 -2.979 -8.783 1.00 0.00 C ATOM 2174 NE2 HIS A 158 -1.627 -3.534 -9.384 1.00 0.00 N ATOM 0 H HIS A 158 -6.738 -7.571 -9.686 1.00 0.00 H new ATOM 0 HA HIS A 158 -5.483 -5.808 -10.032 1.00 0.00 H new ATOM 0 HB2 HIS A 158 -4.356 -6.529 -7.878 1.00 0.00 H new ATOM 0 HB3 HIS A 158 -3.100 -7.259 -8.857 1.00 0.00 H new ATOM 0 HD1 HIS A 158 -4.513 -3.753 -8.034 1.00 0.00 H new ATOM 0 HD2 HIS A 158 -1.245 -5.653 -9.889 1.00 0.00 H new ATOM 0 HE1 HIS A 158 -2.802 -1.926 -8.566 1.00 0.00 H new ATOM 2182 N GLY A 159 -3.630 -5.748 -11.887 1.00 0.00 N ATOM 2183 CA GLY A 159 -2.958 -5.705 -13.198 1.00 0.00 C ATOM 2184 C GLY A 159 -3.914 -5.607 -14.396 1.00 0.00 C ATOM 2185 O GLY A 159 -3.475 -5.770 -15.537 1.00 0.00 O ATOM 0 H GLY A 159 -3.600 -4.857 -11.392 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -2.281 -4.851 -13.218 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -2.346 -6.600 -13.309 1.00 0.00 H new ATOM 2189 N THR A 160 -5.204 -5.349 -14.142 1.00 0.00 N ATOM 2190 CA THR A 160 -6.291 -5.211 -15.130 1.00 0.00 C ATOM 2191 C THR A 160 -7.012 -3.869 -14.955 1.00 0.00 C ATOM 2192 O THR A 160 -6.662 -3.080 -14.074 1.00 0.00 O ATOM 2193 CB THR A 160 -7.272 -6.392 -15.029 1.00 0.00 C ATOM 2194 OG1 THR A 160 -7.856 -6.416 -13.747 1.00 0.00 O ATOM 2195 CG2 THR A 160 -6.603 -7.744 -15.287 1.00 0.00 C ATOM 0 H THR A 160 -5.540 -5.223 -13.187 1.00 0.00 H new ATOM 0 HA THR A 160 -5.855 -5.228 -16.129 1.00 0.00 H new ATOM 0 HB THR A 160 -8.026 -6.240 -15.801 1.00 0.00 H new ATOM 0 HG1 THR A 160 -8.481 -7.168 -13.686 1.00 0.00 H new ATOM 0 HG21 THR A 160 -7.344 -8.539 -15.202 1.00 0.00 H new ATOM 0 HG22 THR A 160 -6.175 -7.753 -16.289 1.00 0.00 H new ATOM 0 HG23 THR A 160 -5.813 -7.905 -14.554 1.00 0.00 H new ATOM 2203 N LEU A 161 -8.007 -3.590 -15.806 1.00 0.00 N ATOM 2204 CA LEU A 161 -8.733 -2.312 -15.840 1.00 0.00 C ATOM 2205 C LEU A 161 -9.562 -2.073 -14.566 1.00 0.00 C ATOM 2206 O LEU A 161 -9.429 -1.011 -13.952 1.00 0.00 O ATOM 2207 CB LEU A 161 -9.633 -2.261 -17.097 1.00 0.00 C ATOM 2208 CG LEU A 161 -8.968 -1.828 -18.422 1.00 0.00 C ATOM 2209 CD1 LEU A 161 -8.510 -0.362 -18.375 1.00 0.00 C ATOM 2210 CD2 LEU A 161 -7.799 -2.730 -18.845 1.00 0.00 C ATOM 0 H LEU A 161 -8.337 -4.257 -16.503 1.00 0.00 H new ATOM 0 HA LEU A 161 -7.995 -1.511 -15.885 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -10.066 -3.251 -17.243 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -10.459 -1.579 -16.894 1.00 0.00 H new ATOM 0 HG LEU A 161 -9.745 -1.935 -19.179 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -8.047 -0.095 -19.325 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -9.371 0.283 -18.197 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -7.787 -0.232 -17.570 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -7.380 -2.367 -19.783 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -7.029 -2.714 -18.074 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -8.157 -3.751 -18.979 1.00 0.00 H new ATOM 2222 N LEU A 162 -10.406 -3.049 -14.192 1.00 0.00 N ATOM 2223 CA LEU A 162 -11.333 -3.027 -13.041 1.00 0.00 C ATOM 2224 C LEU A 162 -12.418 -1.926 -13.166 1.00 0.00 C ATOM 2225 O LEU A 162 -12.459 -1.177 -14.148 1.00 0.00 O ATOM 2226 CB LEU A 162 -10.542 -2.943 -11.707 1.00 0.00 C ATOM 2227 CG LEU A 162 -9.460 -4.029 -11.515 1.00 0.00 C ATOM 2228 CD1 LEU A 162 -8.664 -3.761 -10.230 1.00 0.00 C ATOM 2229 CD2 LEU A 162 -10.072 -5.437 -11.452 1.00 0.00 C ATOM 0 H LEU A 162 -10.465 -3.925 -14.712 1.00 0.00 H new ATOM 0 HA LEU A 162 -11.882 -3.969 -13.040 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -10.066 -1.964 -11.646 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -11.249 -3.006 -10.879 1.00 0.00 H new ATOM 0 HG LEU A 162 -8.796 -3.985 -12.378 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -7.904 -4.533 -10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -8.183 -2.785 -10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -9.339 -3.774 -9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -9.279 -6.173 -11.316 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -10.767 -5.494 -10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -10.604 -5.644 -12.380 1.00 0.00 H new ATOM 2241 N ARG A 163 -13.312 -1.834 -12.171 1.00 0.00 N ATOM 2242 CA ARG A 163 -14.264 -0.718 -12.001 1.00 0.00 C ATOM 2243 C ARG A 163 -13.687 0.375 -11.072 1.00 0.00 C ATOM 2244 O ARG A 163 -12.546 0.273 -10.615 1.00 0.00 O ATOM 2245 CB ARG A 163 -15.640 -1.260 -11.550 1.00 0.00 C ATOM 2246 CG ARG A 163 -15.698 -1.692 -10.075 1.00 0.00 C ATOM 2247 CD ARG A 163 -17.042 -2.317 -9.678 1.00 0.00 C ATOM 2248 NE ARG A 163 -17.184 -3.698 -10.178 1.00 0.00 N ATOM 2249 CZ ARG A 163 -16.670 -4.798 -9.634 1.00 0.00 C ATOM 2250 NH1 ARG A 163 -15.918 -4.764 -8.552 1.00 0.00 N1+ ATOM 2251 NH2 ARG A 163 -16.909 -5.969 -10.181 1.00 0.00 N ATOM 0 H ARG A 163 -13.398 -2.546 -11.445 1.00 0.00 H new ATOM 0 HA ARG A 163 -14.422 -0.225 -12.960 1.00 0.00 H new ATOM 0 HB2 ARG A 163 -16.394 -0.492 -11.721 1.00 0.00 H new ATOM 0 HB3 ARG A 163 -15.905 -2.112 -12.177 1.00 0.00 H new ATOM 0 HG2 ARG A 163 -14.900 -2.410 -9.882 1.00 0.00 H new ATOM 0 HG3 ARG A 163 -15.507 -0.825 -9.442 1.00 0.00 H new ATOM 0 HD2 ARG A 163 -17.135 -2.314 -8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 163 -17.855 -1.705 -10.069 1.00 0.00 H new ATOM 0 HE ARG A 163 -17.733 -3.822 -11.029 1.00 0.00 H new ATOM 0 HH11 ARG A 163 -15.712 -3.872 -8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 163 -15.542 -5.630 -8.165 1.00 0.00 H new ATOM 0 HH21 ARG A 163 -17.487 -6.032 -11.019 1.00 0.00 H new ATOM 0 HH22 ARG A 163 -16.517 -6.815 -9.767 1.00 0.00 H new ATOM 2265 N GLY A 164 -14.470 1.418 -10.767 1.00 0.00 N ATOM 2266 CA GLY A 164 -14.120 2.459 -9.785 1.00 0.00 C ATOM 2267 C GLY A 164 -13.150 3.493 -10.358 1.00 0.00 C ATOM 2268 O GLY A 164 -13.438 4.694 -10.327 1.00 0.00 O ATOM 0 H GLY A 164 -15.381 1.567 -11.202 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -15.028 2.961 -9.452 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -13.673 1.992 -8.907 1.00 0.00 H new