USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 514 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 915 SER OG : rot -125:sc= 0.351 USER MOD Set 1.2: A 928 TYR OH : rot 180:sc= 0.327 USER MOD Set 2.1: A 890 SER OG : rot -102:sc= 1.24 USER MOD Set 2.2: A 900 THR OG1 : rot 144:sc= 1.47 USER MOD Single : A 889 LYS NZ :NH3+ 157:sc= -0.114 (180deg=-0.673) USER MOD Single : A 894 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0806) USER MOD Single : A 895 ASN :FLIP amide:sc= -0.274 F(o=-1.3,f=-0.27) USER MOD Single : A 901 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 903 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 904 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 910 GLN : amide:sc=-0.00506 K(o=-0.0051,f=-1.1) USER MOD Single : A 912 ASN : amide:sc= -0.02 K(o=-0.02,f=-0.55) USER MOD Single : A 916 GLN : amide:sc= 0.534 K(o=0.53,f=-1.6) USER MOD Single : A 920 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 924 SER OG : rot 180:sc= 0 USER MOD Single : A 925 SER OG : rot 39:sc= 0.0103 USER MOD Single : A 927 SER OG : rot 180:sc= 0 USER MOD Single : A 929 THR OG1 : rot 180:sc= 0 USER MOD Single : A 930 SER OG : rot 180:sc= 0 USER MOD Single : A 932 ASN : amide:sc= -0.033 X(o=-0.033,f=-0.15) USER MOD Single : A 934 GLN :FLIP amide:sc= -0.0219 F(o=-1.2,f=-0.022) USER MOD Single : A 935 THR OG1 : rot 23:sc= 0.239 USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 TYR OH : rot 180:sc= 0 USER MOD Single : A 941 ASN : amide:sc= 1.19 K(o=1.2,f=-0.034) USER MOD Single : A 943 LYS NZ :NH3+ -168:sc= -0.073 (180deg=-0.276) USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 950 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.16) USER MOD Single : A 951 LYS NZ :NH3+ 137:sc= -3.5! (180deg=-4.52!) USER MOD Single : A 953 GLN :FLIP amide:sc= -0.0803 F(o=-0.95,f=-0.08) USER MOD Single : A 954 CYS SG : rot -22:sc= -0.099 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 889 5.695 8.097 5.988 1.00 0.00 N ATOM 84 CA LYS A 889 5.800 8.472 7.393 1.00 0.00 C ATOM 85 C LYS A 889 4.417 8.817 7.928 1.00 0.00 C ATOM 86 O LYS A 889 4.208 8.939 9.138 1.00 0.00 O ATOM 87 CB LYS A 889 6.774 9.639 7.591 1.00 0.00 C ATOM 88 CG LYS A 889 8.221 9.199 7.778 1.00 0.00 C ATOM 89 CD LYS A 889 8.736 8.414 6.580 1.00 0.00 C ATOM 90 CE LYS A 889 10.070 7.752 6.879 1.00 0.00 C ATOM 91 NZ LYS A 889 9.983 6.840 8.047 1.00 0.00 N ATOM 0 HA LYS A 889 6.199 7.626 7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 889 6.713 10.303 6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 889 6.463 10.217 8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 889 8.849 10.076 7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 889 8.301 8.585 8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 889 8.006 7.654 6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 889 8.844 9.082 5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 889 10.402 7.192 6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 889 10.821 8.518 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 889 10.746 6.135 7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 889 10.079 7.390 8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 889 9.063 6.355 8.041 1.00 0.00 H new ATOM 105 N SER A 890 3.478 8.973 7.006 1.00 0.00 N ATOM 106 CA SER A 890 2.076 9.069 7.352 1.00 0.00 C ATOM 107 C SER A 890 1.398 7.735 7.039 1.00 0.00 C ATOM 108 O SER A 890 1.707 7.095 6.032 1.00 0.00 O ATOM 109 CB SER A 890 1.414 10.198 6.556 1.00 0.00 C ATOM 110 OG SER A 890 2.106 11.424 6.736 1.00 0.00 O ATOM 0 H SER A 890 3.669 9.036 6.006 1.00 0.00 H new ATOM 0 HA SER A 890 1.973 9.292 8.414 1.00 0.00 H new ATOM 0 HB2 SER A 890 1.396 9.939 5.497 1.00 0.00 H new ATOM 0 HB3 SER A 890 0.378 10.312 6.874 1.00 0.00 H new ATOM 0 HG SER A 890 1.615 11.987 7.370 1.00 0.00 H new ATOM 116 N VAL A 891 0.484 7.317 7.903 1.00 0.00 N ATOM 117 CA VAL A 891 -0.239 6.064 7.716 1.00 0.00 C ATOM 118 C VAL A 891 -1.738 6.315 7.807 1.00 0.00 C ATOM 119 O VAL A 891 -2.183 7.106 8.633 1.00 0.00 O ATOM 120 CB VAL A 891 0.172 5.007 8.771 1.00 0.00 C ATOM 121 CG1 VAL A 891 -0.540 3.683 8.526 1.00 0.00 C ATOM 122 CG2 VAL A 891 1.681 4.806 8.780 1.00 0.00 C ATOM 0 H VAL A 891 0.223 7.830 8.745 1.00 0.00 H new ATOM 0 HA VAL A 891 0.015 5.676 6.729 1.00 0.00 H new ATOM 0 HB VAL A 891 -0.130 5.380 9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 891 -0.233 2.959 9.281 1.00 0.00 H new ATOM 0 HG12 VAL A 891 -1.618 3.833 8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 891 -0.279 3.307 7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 891 1.944 4.059 9.529 1.00 0.00 H new ATOM 0 HG22 VAL A 891 2.009 4.466 7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 891 2.172 5.749 9.020 1.00 0.00 H new ATOM 132 N PHE A 892 -2.513 5.655 6.963 1.00 0.00 N ATOM 133 CA PHE A 892 -3.959 5.806 6.997 1.00 0.00 C ATOM 134 C PHE A 892 -4.588 4.776 7.931 1.00 0.00 C ATOM 135 O PHE A 892 -4.357 3.574 7.799 1.00 0.00 O ATOM 136 CB PHE A 892 -4.563 5.708 5.584 1.00 0.00 C ATOM 137 CG PHE A 892 -4.217 4.450 4.836 1.00 0.00 C ATOM 138 CD1 PHE A 892 -3.020 4.345 4.144 1.00 0.00 C ATOM 139 CD2 PHE A 892 -5.094 3.377 4.814 1.00 0.00 C ATOM 140 CE1 PHE A 892 -2.703 3.194 3.451 1.00 0.00 C ATOM 141 CE2 PHE A 892 -4.784 2.224 4.121 1.00 0.00 C ATOM 142 CZ PHE A 892 -3.587 2.133 3.438 1.00 0.00 C ATOM 0 H PHE A 892 -2.168 5.013 6.249 1.00 0.00 H new ATOM 0 HA PHE A 892 -4.183 6.800 7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 892 -5.648 5.781 5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 892 -4.227 6.565 5.000 1.00 0.00 H new ATOM 0 HD1 PHE A 892 -2.327 5.174 4.147 1.00 0.00 H new ATOM 0 HD2 PHE A 892 -6.032 3.444 5.346 1.00 0.00 H new ATOM 0 HE1 PHE A 892 -1.765 3.123 2.920 1.00 0.00 H new ATOM 0 HE2 PHE A 892 -5.476 1.395 4.113 1.00 0.00 H new ATOM 0 HZ PHE A 892 -3.342 1.233 2.894 1.00 0.00 H new ATOM 152 N VAL A 893 -5.373 5.257 8.883 1.00 0.00 N ATOM 153 CA VAL A 893 -6.056 4.386 9.824 1.00 0.00 C ATOM 154 C VAL A 893 -7.476 4.099 9.338 1.00 0.00 C ATOM 155 O VAL A 893 -8.256 5.026 9.049 1.00 0.00 O ATOM 156 CB VAL A 893 -6.077 4.979 11.258 1.00 0.00 C ATOM 157 CG1 VAL A 893 -6.739 6.353 11.290 1.00 0.00 C ATOM 158 CG2 VAL A 893 -6.763 4.020 12.228 1.00 0.00 C ATOM 0 H VAL A 893 -5.553 6.251 9.024 1.00 0.00 H new ATOM 0 HA VAL A 893 -5.499 3.450 9.873 1.00 0.00 H new ATOM 0 HB VAL A 893 -5.043 5.109 11.576 1.00 0.00 H new ATOM 0 HG11 VAL A 893 -6.735 6.735 12.311 1.00 0.00 H new ATOM 0 HG12 VAL A 893 -6.189 7.037 10.644 1.00 0.00 H new ATOM 0 HG13 VAL A 893 -7.767 6.270 10.938 1.00 0.00 H new ATOM 0 HG21 VAL A 893 -6.767 4.455 13.228 1.00 0.00 H new ATOM 0 HG22 VAL A 893 -7.789 3.847 11.904 1.00 0.00 H new ATOM 0 HG23 VAL A 893 -6.223 3.073 12.246 1.00 0.00 H new ATOM 168 N LYS A 894 -7.768 2.801 9.193 1.00 0.00 N ATOM 169 CA LYS A 894 -9.064 2.299 8.717 1.00 0.00 C ATOM 170 C LYS A 894 -9.410 2.851 7.334 1.00 0.00 C ATOM 171 O LYS A 894 -10.520 2.663 6.839 1.00 0.00 O ATOM 172 CB LYS A 894 -10.176 2.635 9.718 1.00 0.00 C ATOM 173 CG LYS A 894 -9.913 2.107 11.122 1.00 0.00 C ATOM 174 CD LYS A 894 -9.611 0.617 11.109 1.00 0.00 C ATOM 175 CE LYS A 894 -9.355 0.076 12.509 1.00 0.00 C ATOM 176 NZ LYS A 894 -10.567 0.144 13.366 1.00 0.00 N ATOM 0 H LYS A 894 -7.102 2.059 9.406 1.00 0.00 H new ATOM 0 HA LYS A 894 -8.983 1.215 8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 894 -10.298 3.717 9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 894 -11.117 2.223 9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 894 -9.074 2.646 11.563 1.00 0.00 H new ATOM 0 HG3 LYS A 894 -10.782 2.298 11.752 1.00 0.00 H new ATOM 0 HD2 LYS A 894 -10.448 0.081 10.660 1.00 0.00 H new ATOM 0 HD3 LYS A 894 -8.739 0.429 10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 894 -9.017 -0.958 12.441 1.00 0.00 H new ATOM 0 HE3 LYS A 894 -8.550 0.644 12.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 894 -10.400 -0.384 14.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 894 -10.777 1.137 13.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 894 -11.374 -0.273 12.860 1.00 0.00 H new ATOM 190 N ASN A 895 -8.436 3.531 6.730 1.00 0.00 N ATOM 191 CA ASN A 895 -8.608 4.238 5.462 1.00 0.00 C ATOM 192 C ASN A 895 -9.693 5.308 5.611 1.00 0.00 C ATOM 193 O ASN A 895 -10.288 5.759 4.634 1.00 0.00 O ATOM 194 CB ASN A 895 -8.958 3.247 4.340 1.00 0.00 C ATOM 195 CG ASN A 895 -8.871 3.853 2.946 1.00 0.00 C ATOM 196 OD1 ASN A 895 -7.925 4.759 2.736 1.00 0.00 O flip ATOM 197 ND2 ASN A 895 -9.641 3.490 2.055 1.00 0.00 N flip ATOM 0 H ASN A 895 -7.494 3.607 7.113 1.00 0.00 H new ATOM 0 HA ASN A 895 -7.672 4.729 5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -8.285 2.392 4.398 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -9.968 2.870 4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -10.357 2.791 2.253 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -9.563 3.889 1.119 1.00 0.00 H new ATOM 204 N VAL A 896 -9.925 5.725 6.853 1.00 0.00 N ATOM 205 CA VAL A 896 -10.834 6.824 7.137 1.00 0.00 C ATOM 206 C VAL A 896 -10.039 8.068 7.514 1.00 0.00 C ATOM 207 O VAL A 896 -10.451 9.201 7.247 1.00 0.00 O ATOM 208 CB VAL A 896 -11.812 6.473 8.284 1.00 0.00 C ATOM 209 CG1 VAL A 896 -12.800 7.605 8.529 1.00 0.00 C ATOM 210 CG2 VAL A 896 -12.553 5.179 7.987 1.00 0.00 C ATOM 0 H VAL A 896 -9.492 5.314 7.680 1.00 0.00 H new ATOM 0 HA VAL A 896 -11.419 7.013 6.237 1.00 0.00 H new ATOM 0 HB VAL A 896 -11.223 6.334 9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 896 -13.474 7.330 9.340 1.00 0.00 H new ATOM 0 HG12 VAL A 896 -12.256 8.510 8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 896 -13.378 7.786 7.623 1.00 0.00 H new ATOM 0 HG21 VAL A 896 -13.234 4.953 8.807 1.00 0.00 H new ATOM 0 HG22 VAL A 896 -13.121 5.289 7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 896 -11.836 4.366 7.877 1.00 0.00 H new ATOM 220 N GLY A 897 -8.876 7.846 8.115 1.00 0.00 N ATOM 221 CA GLY A 897 -8.048 8.955 8.536 1.00 0.00 C ATOM 222 C GLY A 897 -6.591 8.728 8.221 1.00 0.00 C ATOM 223 O GLY A 897 -6.186 7.606 7.934 1.00 0.00 O ATOM 0 H GLY A 897 -8.495 6.922 8.317 1.00 0.00 H new ATOM 0 HA2 GLY A 897 -8.387 9.867 8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 897 -8.167 9.109 9.609 1.00 0.00 H new ATOM 227 N TRP A 898 -5.806 9.789 8.257 1.00 0.00 N ATOM 228 CA TRP A 898 -4.378 9.691 8.008 1.00 0.00 C ATOM 229 C TRP A 898 -3.632 10.211 9.227 1.00 0.00 C ATOM 230 O TRP A 898 -3.975 11.265 9.754 1.00 0.00 O ATOM 231 CB TRP A 898 -3.991 10.522 6.777 1.00 0.00 C ATOM 232 CG TRP A 898 -5.040 10.539 5.701 1.00 0.00 C ATOM 233 CD1 TRP A 898 -6.171 11.307 5.678 1.00 0.00 C ATOM 234 CD2 TRP A 898 -5.056 9.770 4.492 1.00 0.00 C ATOM 235 NE1 TRP A 898 -6.892 11.056 4.545 1.00 0.00 N ATOM 236 CE2 TRP A 898 -6.231 10.119 3.795 1.00 0.00 C ATOM 237 CE3 TRP A 898 -4.198 8.817 3.930 1.00 0.00 C ATOM 238 CZ2 TRP A 898 -6.564 9.554 2.567 1.00 0.00 C ATOM 239 CZ3 TRP A 898 -4.533 8.257 2.709 1.00 0.00 C ATOM 240 CH2 TRP A 898 -5.708 8.626 2.041 1.00 0.00 C ATOM 0 H TRP A 898 -6.135 10.734 8.457 1.00 0.00 H new ATOM 0 HA TRP A 898 -4.115 8.650 7.821 1.00 0.00 H new ATOM 0 HB2 TRP A 898 -3.789 11.546 7.091 1.00 0.00 H new ATOM 0 HB3 TRP A 898 -3.064 10.128 6.361 1.00 0.00 H new ATOM 0 HD1 TRP A 898 -6.454 12.012 6.446 1.00 0.00 H new ATOM 0 HE1 TRP A 898 -7.779 11.495 4.298 1.00 0.00 H new ATOM 0 HE3 TRP A 898 -3.292 8.524 4.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 898 -7.467 9.839 2.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 898 -3.877 7.523 2.264 1.00 0.00 H new ATOM 0 HH2 TRP A 898 -5.943 8.168 1.091 1.00 0.00 H new ATOM 251 N ALA A 899 -2.610 9.497 9.660 1.00 0.00 N ATOM 252 CA ALA A 899 -1.846 9.910 10.821 1.00 0.00 C ATOM 253 C ALA A 899 -0.394 10.147 10.449 1.00 0.00 C ATOM 254 O ALA A 899 0.237 9.311 9.807 1.00 0.00 O ATOM 255 CB ALA A 899 -1.946 8.861 11.918 1.00 0.00 C ATOM 0 H ALA A 899 -2.291 8.631 9.226 1.00 0.00 H new ATOM 0 HA ALA A 899 -2.263 10.846 11.193 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -1.368 9.184 12.784 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -2.990 8.734 12.206 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -1.552 7.913 11.552 1.00 0.00 H new ATOM 261 N THR A 900 0.120 11.295 10.847 1.00 0.00 N ATOM 262 CA THR A 900 1.509 11.644 10.614 1.00 0.00 C ATOM 263 C THR A 900 2.245 11.809 11.938 1.00 0.00 C ATOM 264 O THR A 900 1.800 12.555 12.813 1.00 0.00 O ATOM 265 CB THR A 900 1.617 12.947 9.801 1.00 0.00 C ATOM 266 OG1 THR A 900 0.795 12.851 8.631 1.00 0.00 O ATOM 267 CG2 THR A 900 3.058 13.222 9.395 1.00 0.00 C ATOM 0 H THR A 900 -0.413 12.011 11.340 1.00 0.00 H new ATOM 0 HA THR A 900 1.967 10.835 10.046 1.00 0.00 H new ATOM 0 HB THR A 900 1.276 13.772 10.426 1.00 0.00 H new ATOM 0 HG1 THR A 900 0.399 13.726 8.437 1.00 0.00 H new ATOM 0 HG21 THR A 900 3.104 14.148 8.822 1.00 0.00 H new ATOM 0 HG22 THR A 900 3.676 13.316 10.288 1.00 0.00 H new ATOM 0 HG23 THR A 900 3.427 12.399 8.784 1.00 0.00 H new ATOM 275 N GLN A 901 3.357 11.109 12.089 1.00 0.00 N ATOM 276 CA GLN A 901 4.167 11.236 13.288 1.00 0.00 C ATOM 277 C GLN A 901 5.275 12.259 13.070 1.00 0.00 C ATOM 278 O GLN A 901 6.146 12.074 12.220 1.00 0.00 O ATOM 279 CB GLN A 901 4.769 9.886 13.681 1.00 0.00 C ATOM 280 CG GLN A 901 5.615 9.943 14.944 1.00 0.00 C ATOM 281 CD GLN A 901 6.255 8.613 15.281 1.00 0.00 C ATOM 282 OE1 GLN A 901 5.686 7.799 16.007 1.00 0.00 O ATOM 283 NE2 GLN A 901 7.449 8.384 14.755 1.00 0.00 N ATOM 0 H GLN A 901 3.718 10.450 11.399 1.00 0.00 H new ATOM 0 HA GLN A 901 3.525 11.577 14.100 1.00 0.00 H new ATOM 0 HB2 GLN A 901 3.963 9.166 13.825 1.00 0.00 H new ATOM 0 HB3 GLN A 901 5.382 9.518 12.859 1.00 0.00 H new ATOM 0 HG2 GLN A 901 6.394 10.695 14.820 1.00 0.00 H new ATOM 0 HG3 GLN A 901 4.992 10.263 15.779 1.00 0.00 H new ATOM 0 HE21 GLN A 901 7.886 9.086 14.158 1.00 0.00 H new ATOM 0 HE22 GLN A 901 7.931 7.506 14.947 1.00 0.00 H new ATOM 292 N LEU A 902 5.227 13.343 13.827 1.00 0.00 N ATOM 293 CA LEU A 902 6.261 14.362 13.761 1.00 0.00 C ATOM 294 C LEU A 902 7.392 14.009 14.717 1.00 0.00 C ATOM 295 O LEU A 902 7.161 13.411 15.769 1.00 0.00 O ATOM 296 CB LEU A 902 5.700 15.753 14.100 1.00 0.00 C ATOM 297 CG LEU A 902 4.807 16.405 13.033 1.00 0.00 C ATOM 298 CD1 LEU A 902 5.502 16.408 11.681 1.00 0.00 C ATOM 299 CD2 LEU A 902 3.455 15.711 12.944 1.00 0.00 C ATOM 0 H LEU A 902 4.482 13.540 14.495 1.00 0.00 H new ATOM 0 HA LEU A 902 6.642 14.395 12.740 1.00 0.00 H new ATOM 0 HB2 LEU A 902 5.128 15.675 15.024 1.00 0.00 H new ATOM 0 HB3 LEU A 902 6.538 16.421 14.299 1.00 0.00 H new ATOM 0 HG LEU A 902 4.630 17.438 13.331 1.00 0.00 H new ATOM 0 HD11 LEU A 902 4.853 16.874 10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 902 6.434 16.970 11.752 1.00 0.00 H new ATOM 0 HD13 LEU A 902 5.718 15.383 11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 902 2.847 16.196 12.180 1.00 0.00 H new ATOM 0 HD22 LEU A 902 3.600 14.663 12.681 1.00 0.00 H new ATOM 0 HD23 LEU A 902 2.948 15.776 13.907 1.00 0.00 H new ATOM 311 N THR A 903 8.607 14.395 14.359 1.00 0.00 N ATOM 312 CA THR A 903 9.786 14.067 15.148 1.00 0.00 C ATOM 313 C THR A 903 9.776 14.760 16.512 1.00 0.00 C ATOM 314 O THR A 903 10.516 14.378 17.418 1.00 0.00 O ATOM 315 CB THR A 903 11.064 14.444 14.380 1.00 0.00 C ATOM 316 OG1 THR A 903 10.881 15.712 13.736 1.00 0.00 O ATOM 317 CG2 THR A 903 11.405 13.385 13.343 1.00 0.00 C ATOM 0 H THR A 903 8.804 14.940 13.520 1.00 0.00 H new ATOM 0 HA THR A 903 9.769 12.991 15.322 1.00 0.00 H new ATOM 0 HB THR A 903 11.889 14.508 15.089 1.00 0.00 H new ATOM 0 HG1 THR A 903 11.697 15.952 13.248 1.00 0.00 H new ATOM 0 HG21 THR A 903 12.312 13.674 12.813 1.00 0.00 H new ATOM 0 HG22 THR A 903 11.564 12.428 13.839 1.00 0.00 H new ATOM 0 HG23 THR A 903 10.583 13.293 12.633 1.00 0.00 H new ATOM 325 N SER A 904 8.924 15.765 16.660 1.00 0.00 N ATOM 326 CA SER A 904 8.813 16.496 17.913 1.00 0.00 C ATOM 327 C SER A 904 7.852 15.799 18.877 1.00 0.00 C ATOM 328 O SER A 904 7.623 16.273 19.989 1.00 0.00 O ATOM 329 CB SER A 904 8.341 17.922 17.634 1.00 0.00 C ATOM 330 OG SER A 904 7.204 17.924 16.779 1.00 0.00 O ATOM 0 H SER A 904 8.298 16.093 15.925 1.00 0.00 H new ATOM 0 HA SER A 904 9.795 16.524 18.385 1.00 0.00 H new ATOM 0 HB2 SER A 904 8.095 18.418 18.573 1.00 0.00 H new ATOM 0 HB3 SER A 904 9.148 18.493 17.174 1.00 0.00 H new ATOM 0 HG SER A 904 6.919 18.847 16.616 1.00 0.00 H new ATOM 336 N GLY A 905 7.295 14.669 18.445 1.00 0.00 N ATOM 337 CA GLY A 905 6.385 13.917 19.290 1.00 0.00 C ATOM 338 C GLY A 905 4.939 14.295 19.053 1.00 0.00 C ATOM 339 O GLY A 905 4.050 13.899 19.807 1.00 0.00 O ATOM 0 H GLY A 905 7.459 14.262 17.524 1.00 0.00 H new ATOM 0 HA2 GLY A 905 6.515 12.851 19.103 1.00 0.00 H new ATOM 0 HA3 GLY A 905 6.637 14.090 20.336 1.00 0.00 H new ATOM 343 N ALA A 906 4.702 15.073 18.011 1.00 0.00 N ATOM 344 CA ALA A 906 3.357 15.483 17.663 1.00 0.00 C ATOM 345 C ALA A 906 2.736 14.493 16.691 1.00 0.00 C ATOM 346 O ALA A 906 3.405 13.997 15.784 1.00 0.00 O ATOM 347 CB ALA A 906 3.364 16.882 17.069 1.00 0.00 C ATOM 0 H ALA A 906 5.427 15.433 17.391 1.00 0.00 H new ATOM 0 HA ALA A 906 2.754 15.499 18.571 1.00 0.00 H new ATOM 0 HB1 ALA A 906 2.345 17.174 16.813 1.00 0.00 H new ATOM 0 HB2 ALA A 906 3.771 17.584 17.797 1.00 0.00 H new ATOM 0 HB3 ALA A 906 3.981 16.893 16.170 1.00 0.00 H new ATOM 353 N VAL A 907 1.465 14.195 16.885 1.00 0.00 N ATOM 354 CA VAL A 907 0.752 13.323 15.974 1.00 0.00 C ATOM 355 C VAL A 907 -0.348 14.103 15.272 1.00 0.00 C ATOM 356 O VAL A 907 -1.221 14.688 15.912 1.00 0.00 O ATOM 357 CB VAL A 907 0.136 12.105 16.701 1.00 0.00 C ATOM 358 CG1 VAL A 907 -0.536 11.162 15.712 1.00 0.00 C ATOM 359 CG2 VAL A 907 1.194 11.364 17.505 1.00 0.00 C ATOM 0 H VAL A 907 0.907 14.544 17.664 1.00 0.00 H new ATOM 0 HA VAL A 907 1.472 12.949 15.246 1.00 0.00 H new ATOM 0 HB VAL A 907 -0.624 12.476 17.389 1.00 0.00 H new ATOM 0 HG11 VAL A 907 -0.961 10.314 16.249 1.00 0.00 H new ATOM 0 HG12 VAL A 907 -1.329 11.692 15.185 1.00 0.00 H new ATOM 0 HG13 VAL A 907 0.201 10.804 14.993 1.00 0.00 H new ATOM 0 HG21 VAL A 907 0.738 10.511 18.008 1.00 0.00 H new ATOM 0 HG22 VAL A 907 1.980 11.013 16.836 1.00 0.00 H new ATOM 0 HG23 VAL A 907 1.623 12.036 18.248 1.00 0.00 H new ATOM 369 N TRP A 908 -0.295 14.121 13.957 1.00 0.00 N ATOM 370 CA TRP A 908 -1.306 14.802 13.171 1.00 0.00 C ATOM 371 C TRP A 908 -2.189 13.791 12.457 1.00 0.00 C ATOM 372 O TRP A 908 -1.731 13.069 11.574 1.00 0.00 O ATOM 373 CB TRP A 908 -0.628 15.748 12.170 1.00 0.00 C ATOM 374 CG TRP A 908 -1.512 16.212 11.051 1.00 0.00 C ATOM 375 CD1 TRP A 908 -2.812 16.619 11.136 1.00 0.00 C ATOM 376 CD2 TRP A 908 -1.147 16.319 9.669 1.00 0.00 C ATOM 377 NE1 TRP A 908 -3.281 16.958 9.890 1.00 0.00 N ATOM 378 CE2 TRP A 908 -2.276 16.789 8.974 1.00 0.00 C ATOM 379 CE3 TRP A 908 0.025 16.064 8.953 1.00 0.00 C ATOM 380 CZ2 TRP A 908 -2.271 17.007 7.599 1.00 0.00 C ATOM 381 CZ3 TRP A 908 0.032 16.282 7.588 1.00 0.00 C ATOM 382 CH2 TRP A 908 -1.110 16.750 6.923 1.00 0.00 C ATOM 0 H TRP A 908 0.438 13.672 13.408 1.00 0.00 H new ATOM 0 HA TRP A 908 -1.941 15.392 13.831 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.258 16.620 12.708 1.00 0.00 H new ATOM 0 HB3 TRP A 908 0.240 15.244 11.745 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -3.387 16.667 12.049 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -4.225 17.283 9.681 1.00 0.00 H new ATOM 0 HE3 TRP A 908 0.910 15.703 9.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 -3.151 17.366 7.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 0.933 16.088 7.024 1.00 0.00 H new ATOM 0 HH2 TRP A 908 -1.072 16.911 5.856 1.00 0.00 H new ATOM 393 N VAL A 909 -3.456 13.737 12.842 1.00 0.00 N ATOM 394 CA VAL A 909 -4.395 12.843 12.190 1.00 0.00 C ATOM 395 C VAL A 909 -5.484 13.638 11.494 1.00 0.00 C ATOM 396 O VAL A 909 -6.270 14.327 12.138 1.00 0.00 O ATOM 397 CB VAL A 909 -5.054 11.853 13.175 1.00 0.00 C ATOM 398 CG1 VAL A 909 -5.919 10.852 12.418 1.00 0.00 C ATOM 399 CG2 VAL A 909 -4.004 11.133 14.009 1.00 0.00 C ATOM 0 H VAL A 909 -3.853 14.297 13.596 1.00 0.00 H new ATOM 0 HA VAL A 909 -3.821 12.267 11.464 1.00 0.00 H new ATOM 0 HB VAL A 909 -5.690 12.419 13.855 1.00 0.00 H new ATOM 0 HG11 VAL A 909 -6.378 10.160 13.124 1.00 0.00 H new ATOM 0 HG12 VAL A 909 -6.699 11.384 11.873 1.00 0.00 H new ATOM 0 HG13 VAL A 909 -5.300 10.295 11.714 1.00 0.00 H new ATOM 0 HG21 VAL A 909 -4.495 10.442 14.694 1.00 0.00 H new ATOM 0 HG22 VAL A 909 -3.335 10.578 13.351 1.00 0.00 H new ATOM 0 HG23 VAL A 909 -3.429 11.863 14.579 1.00 0.00 H new ATOM 409 N GLN A 910 -5.530 13.531 10.186 1.00 0.00 N ATOM 410 CA GLN A 910 -6.560 14.188 9.404 1.00 0.00 C ATOM 411 C GLN A 910 -7.589 13.170 8.923 1.00 0.00 C ATOM 412 O GLN A 910 -7.335 11.966 8.940 1.00 0.00 O ATOM 413 CB GLN A 910 -5.953 14.937 8.213 1.00 0.00 C ATOM 414 CG GLN A 910 -5.117 14.063 7.294 1.00 0.00 C ATOM 415 CD GLN A 910 -4.720 14.773 6.016 1.00 0.00 C ATOM 416 OE1 GLN A 910 -5.448 15.632 5.517 1.00 0.00 O ATOM 417 NE2 GLN A 910 -3.566 14.417 5.474 1.00 0.00 N ATOM 0 H GLN A 910 -4.862 12.992 9.635 1.00 0.00 H new ATOM 0 HA GLN A 910 -7.058 14.917 10.043 1.00 0.00 H new ATOM 0 HB2 GLN A 910 -6.758 15.390 7.634 1.00 0.00 H new ATOM 0 HB3 GLN A 910 -5.332 15.751 8.587 1.00 0.00 H new ATOM 0 HG2 GLN A 910 -4.218 13.743 7.822 1.00 0.00 H new ATOM 0 HG3 GLN A 910 -5.678 13.162 7.045 1.00 0.00 H new ATOM 0 HE21 GLN A 910 -2.993 13.701 5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 910 -3.250 14.859 4.611 1.00 0.00 H new ATOM 426 N PHE A 911 -8.743 13.660 8.503 1.00 0.00 N ATOM 427 CA PHE A 911 -9.789 12.810 7.955 1.00 0.00 C ATOM 428 C PHE A 911 -9.788 12.868 6.439 1.00 0.00 C ATOM 429 O PHE A 911 -9.381 13.869 5.844 1.00 0.00 O ATOM 430 CB PHE A 911 -11.170 13.237 8.460 1.00 0.00 C ATOM 431 CG PHE A 911 -11.550 12.667 9.794 1.00 0.00 C ATOM 432 CD1 PHE A 911 -11.924 11.337 9.908 1.00 0.00 C ATOM 433 CD2 PHE A 911 -11.555 13.460 10.928 1.00 0.00 C ATOM 434 CE1 PHE A 911 -12.293 10.810 11.129 1.00 0.00 C ATOM 435 CE2 PHE A 911 -11.922 12.936 12.151 1.00 0.00 C ATOM 436 CZ PHE A 911 -12.292 11.611 12.252 1.00 0.00 C ATOM 0 H PHE A 911 -8.981 14.651 8.531 1.00 0.00 H new ATOM 0 HA PHE A 911 -9.583 11.792 8.286 1.00 0.00 H new ATOM 0 HB2 PHE A 911 -11.199 14.325 8.523 1.00 0.00 H new ATOM 0 HB3 PHE A 911 -11.919 12.940 7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 911 -11.927 10.706 9.031 1.00 0.00 H new ATOM 0 HD2 PHE A 911 -11.269 14.499 10.855 1.00 0.00 H new ATOM 0 HE1 PHE A 911 -12.582 9.772 11.205 1.00 0.00 H new ATOM 0 HE2 PHE A 911 -11.919 13.564 13.030 1.00 0.00 H new ATOM 0 HZ PHE A 911 -12.580 11.201 13.209 1.00 0.00 H new ATOM 446 N ASN A 912 -10.259 11.796 5.819 1.00 0.00 N ATOM 447 CA ASN A 912 -10.454 11.760 4.373 1.00 0.00 C ATOM 448 C ASN A 912 -11.545 12.757 3.962 1.00 0.00 C ATOM 449 O ASN A 912 -11.655 13.142 2.800 1.00 0.00 O ATOM 450 CB ASN A 912 -10.813 10.333 3.936 1.00 0.00 C ATOM 451 CG ASN A 912 -11.071 10.207 2.444 1.00 0.00 C ATOM 452 OD1 ASN A 912 -10.138 10.080 1.649 1.00 0.00 O ATOM 453 ND2 ASN A 912 -12.337 10.202 2.059 1.00 0.00 N ATOM 0 H ASN A 912 -10.516 10.932 6.297 1.00 0.00 H new ATOM 0 HA ASN A 912 -9.530 12.051 3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -10.002 9.660 4.215 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.700 10.006 4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -12.570 10.090 1.072 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -13.080 10.310 2.749 1.00 0.00 H new ATOM 460 N ASP A 913 -12.338 13.183 4.941 1.00 0.00 N ATOM 461 CA ASP A 913 -13.412 14.147 4.712 1.00 0.00 C ATOM 462 C ASP A 913 -12.905 15.587 4.786 1.00 0.00 C ATOM 463 O ASP A 913 -13.687 16.532 4.687 1.00 0.00 O ATOM 464 CB ASP A 913 -14.540 13.944 5.727 1.00 0.00 C ATOM 465 CG ASP A 913 -15.314 12.665 5.486 1.00 0.00 C ATOM 466 OD1 ASP A 913 -14.844 11.589 5.913 1.00 0.00 O ATOM 467 OD2 ASP A 913 -16.392 12.728 4.862 1.00 0.00 O ATOM 0 H ASP A 913 -12.256 12.873 5.909 1.00 0.00 H new ATOM 0 HA ASP A 913 -13.794 13.973 3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 913 -14.120 13.927 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 913 -15.223 14.792 5.681 1.00 0.00 H new ATOM 472 N GLY A 914 -11.599 15.753 4.970 1.00 0.00 N ATOM 473 CA GLY A 914 -11.010 17.082 4.947 1.00 0.00 C ATOM 474 C GLY A 914 -10.848 17.705 6.324 1.00 0.00 C ATOM 475 O GLY A 914 -10.483 18.874 6.440 1.00 0.00 O ATOM 0 H GLY A 914 -10.938 14.994 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 914 -10.034 17.028 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 914 -11.632 17.734 4.334 1.00 0.00 H new ATOM 479 N SER A 915 -11.121 16.935 7.365 1.00 0.00 N ATOM 480 CA SER A 915 -10.967 17.420 8.733 1.00 0.00 C ATOM 481 C SER A 915 -9.548 17.160 9.235 1.00 0.00 C ATOM 482 O SER A 915 -8.851 16.301 8.699 1.00 0.00 O ATOM 483 CB SER A 915 -11.980 16.723 9.637 1.00 0.00 C ATOM 484 OG SER A 915 -13.283 16.807 9.088 1.00 0.00 O ATOM 0 H SER A 915 -11.450 15.972 7.292 1.00 0.00 H new ATOM 0 HA SER A 915 -11.146 18.495 8.751 1.00 0.00 H new ATOM 0 HB2 SER A 915 -11.701 15.677 9.765 1.00 0.00 H new ATOM 0 HB3 SER A 915 -11.967 17.180 10.626 1.00 0.00 H new ATOM 0 HG SER A 915 -13.892 17.198 9.749 1.00 0.00 H new ATOM 490 N GLN A 916 -9.110 17.900 10.247 1.00 0.00 N ATOM 491 CA GLN A 916 -7.776 17.699 10.801 1.00 0.00 C ATOM 492 C GLN A 916 -7.821 17.618 12.327 1.00 0.00 C ATOM 493 O GLN A 916 -8.698 18.202 12.959 1.00 0.00 O ATOM 494 CB GLN A 916 -6.867 18.853 10.352 1.00 0.00 C ATOM 495 CG GLN A 916 -5.520 18.897 11.050 1.00 0.00 C ATOM 496 CD GLN A 916 -4.663 20.060 10.595 1.00 0.00 C ATOM 497 OE1 GLN A 916 -5.168 21.107 10.195 1.00 0.00 O ATOM 498 NE2 GLN A 916 -3.357 19.882 10.657 1.00 0.00 N ATOM 0 H GLN A 916 -9.652 18.637 10.697 1.00 0.00 H new ATOM 0 HA GLN A 916 -7.378 16.754 10.432 1.00 0.00 H new ATOM 0 HB2 GLN A 916 -6.703 18.774 9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 916 -7.384 19.796 10.527 1.00 0.00 H new ATOM 0 HG2 GLN A 916 -5.676 18.965 12.127 1.00 0.00 H new ATOM 0 HG3 GLN A 916 -4.988 17.964 10.863 1.00 0.00 H new ATOM 0 HE21 GLN A 916 -2.978 18.997 10.995 1.00 0.00 H new ATOM 0 HE22 GLN A 916 -2.726 20.629 10.367 1.00 0.00 H new ATOM 507 N LEU A 917 -6.877 16.879 12.909 1.00 0.00 N ATOM 508 CA LEU A 917 -6.686 16.849 14.354 1.00 0.00 C ATOM 509 C LEU A 917 -5.196 16.890 14.672 1.00 0.00 C ATOM 510 O LEU A 917 -4.405 16.186 14.040 1.00 0.00 O ATOM 511 CB LEU A 917 -7.275 15.576 14.988 1.00 0.00 C ATOM 512 CG LEU A 917 -8.800 15.425 14.965 1.00 0.00 C ATOM 513 CD1 LEU A 917 -9.286 14.987 13.594 1.00 0.00 C ATOM 514 CD2 LEU A 917 -9.236 14.426 16.023 1.00 0.00 C ATOM 0 H LEU A 917 -6.227 16.287 12.392 1.00 0.00 H new ATOM 0 HA LEU A 917 -7.202 17.716 14.766 1.00 0.00 H new ATOM 0 HB2 LEU A 917 -6.842 14.714 14.480 1.00 0.00 H new ATOM 0 HB3 LEU A 917 -6.947 15.532 16.026 1.00 0.00 H new ATOM 0 HG LEU A 917 -9.245 16.396 15.184 1.00 0.00 H new ATOM 0 HD11 LEU A 917 -10.371 14.888 13.607 1.00 0.00 H new ATOM 0 HD12 LEU A 917 -8.999 15.731 12.851 1.00 0.00 H new ATOM 0 HD13 LEU A 917 -8.837 14.027 13.338 1.00 0.00 H new ATOM 0 HD21 LEU A 917 -10.321 14.323 16.001 1.00 0.00 H new ATOM 0 HD22 LEU A 917 -8.776 13.459 15.822 1.00 0.00 H new ATOM 0 HD23 LEU A 917 -8.924 14.778 17.006 1.00 0.00 H new ATOM 526 N VAL A 918 -4.816 17.701 15.646 1.00 0.00 N ATOM 527 CA VAL A 918 -3.441 17.716 16.126 1.00 0.00 C ATOM 528 C VAL A 918 -3.387 17.191 17.557 1.00 0.00 C ATOM 529 O VAL A 918 -4.045 17.730 18.448 1.00 0.00 O ATOM 530 CB VAL A 918 -2.830 19.135 16.073 1.00 0.00 C ATOM 531 CG1 VAL A 918 -1.377 19.117 16.528 1.00 0.00 C ATOM 532 CG2 VAL A 918 -2.947 19.722 14.673 1.00 0.00 C ATOM 0 H VAL A 918 -5.438 18.357 16.120 1.00 0.00 H new ATOM 0 HA VAL A 918 -2.855 17.073 15.470 1.00 0.00 H new ATOM 0 HB VAL A 918 -3.393 19.770 16.757 1.00 0.00 H new ATOM 0 HG11 VAL A 918 -0.969 20.127 16.482 1.00 0.00 H new ATOM 0 HG12 VAL A 918 -1.321 18.749 17.553 1.00 0.00 H new ATOM 0 HG13 VAL A 918 -0.800 18.462 15.876 1.00 0.00 H new ATOM 0 HG21 VAL A 918 -2.511 20.721 14.660 1.00 0.00 H new ATOM 0 HG22 VAL A 918 -2.416 19.085 13.966 1.00 0.00 H new ATOM 0 HG23 VAL A 918 -3.998 19.781 14.390 1.00 0.00 H new ATOM 542 N VAL A 919 -2.618 16.134 17.764 1.00 0.00 N ATOM 543 CA VAL A 919 -2.479 15.522 19.075 1.00 0.00 C ATOM 544 C VAL A 919 -1.023 15.560 19.520 1.00 0.00 C ATOM 545 O VAL A 919 -0.127 15.283 18.726 1.00 0.00 O ATOM 546 CB VAL A 919 -2.943 14.050 19.062 1.00 0.00 C ATOM 547 CG1 VAL A 919 -3.070 13.508 20.478 1.00 0.00 C ATOM 548 CG2 VAL A 919 -4.249 13.891 18.299 1.00 0.00 C ATOM 0 H VAL A 919 -2.075 15.678 17.031 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.104 16.089 19.765 1.00 0.00 H new ATOM 0 HB VAL A 919 -2.183 13.466 18.544 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -3.398 12.469 20.442 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -2.103 13.566 20.978 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -3.800 14.100 21.030 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -4.550 12.843 18.307 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -5.023 14.495 18.773 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -4.111 14.221 17.269 1.00 0.00 H new ATOM 558 N GLN A 920 -0.775 15.913 20.767 1.00 0.00 N ATOM 559 CA GLN A 920 0.558 15.758 21.325 1.00 0.00 C ATOM 560 C GLN A 920 0.644 14.407 22.029 1.00 0.00 C ATOM 561 O GLN A 920 -0.307 13.992 22.694 1.00 0.00 O ATOM 562 CB GLN A 920 0.879 16.896 22.300 1.00 0.00 C ATOM 563 CG GLN A 920 2.297 16.846 22.849 1.00 0.00 C ATOM 564 CD GLN A 920 2.596 17.976 23.815 1.00 0.00 C ATOM 565 OE1 GLN A 920 2.043 19.070 23.703 1.00 0.00 O ATOM 566 NE2 GLN A 920 3.476 17.721 24.768 1.00 0.00 N ATOM 0 H GLN A 920 -1.467 16.304 21.406 1.00 0.00 H new ATOM 0 HA GLN A 920 1.292 15.799 20.520 1.00 0.00 H new ATOM 0 HB2 GLN A 920 0.727 17.850 21.795 1.00 0.00 H new ATOM 0 HB3 GLN A 920 0.175 16.860 23.131 1.00 0.00 H new ATOM 0 HG2 GLN A 920 2.452 15.893 23.354 1.00 0.00 H new ATOM 0 HG3 GLN A 920 3.004 16.887 22.020 1.00 0.00 H new ATOM 0 HE21 GLN A 920 3.912 16.801 24.826 1.00 0.00 H new ATOM 0 HE22 GLN A 920 3.719 18.444 25.445 1.00 0.00 H new ATOM 575 N ALA A 921 1.768 13.716 21.875 1.00 0.00 N ATOM 576 CA ALA A 921 1.940 12.406 22.493 1.00 0.00 C ATOM 577 C ALA A 921 1.815 12.496 24.010 1.00 0.00 C ATOM 578 O ALA A 921 2.466 13.322 24.649 1.00 0.00 O ATOM 579 CB ALA A 921 3.284 11.803 22.109 1.00 0.00 C ATOM 0 H ALA A 921 2.569 14.038 21.331 1.00 0.00 H new ATOM 0 HA ALA A 921 1.148 11.755 22.123 1.00 0.00 H new ATOM 0 HB1 ALA A 921 3.393 10.826 22.580 1.00 0.00 H new ATOM 0 HB2 ALA A 921 3.337 11.691 21.026 1.00 0.00 H new ATOM 0 HB3 ALA A 921 4.087 12.459 22.445 1.00 0.00 H new ATOM 585 N GLY A 922 0.960 11.653 24.576 1.00 0.00 N ATOM 586 CA GLY A 922 0.801 11.604 26.017 1.00 0.00 C ATOM 587 C GLY A 922 -0.259 12.564 26.520 1.00 0.00 C ATOM 588 O GLY A 922 -0.598 12.557 27.703 1.00 0.00 O ATOM 0 H GLY A 922 0.371 10.999 24.060 1.00 0.00 H new ATOM 0 HA2 GLY A 922 0.538 10.589 26.315 1.00 0.00 H new ATOM 0 HA3 GLY A 922 1.753 11.839 26.492 1.00 0.00 H new ATOM 592 N VAL A 923 -0.790 13.382 25.622 1.00 0.00 N ATOM 593 CA VAL A 923 -1.767 14.394 25.997 1.00 0.00 C ATOM 594 C VAL A 923 -3.159 14.008 25.502 1.00 0.00 C ATOM 595 O VAL A 923 -3.316 13.523 24.381 1.00 0.00 O ATOM 596 CB VAL A 923 -1.378 15.777 25.432 1.00 0.00 C ATOM 597 CG1 VAL A 923 -2.299 16.862 25.963 1.00 0.00 C ATOM 598 CG2 VAL A 923 0.069 16.101 25.764 1.00 0.00 C ATOM 0 H VAL A 923 -0.560 13.364 24.628 1.00 0.00 H new ATOM 0 HA VAL A 923 -1.780 14.454 27.085 1.00 0.00 H new ATOM 0 HB VAL A 923 -1.487 15.740 24.348 1.00 0.00 H new ATOM 0 HG11 VAL A 923 -2.002 17.826 25.549 1.00 0.00 H new ATOM 0 HG12 VAL A 923 -3.326 16.642 25.671 1.00 0.00 H new ATOM 0 HG13 VAL A 923 -2.230 16.898 27.050 1.00 0.00 H new ATOM 0 HG21 VAL A 923 0.325 17.079 25.358 1.00 0.00 H new ATOM 0 HG22 VAL A 923 0.200 16.112 26.846 1.00 0.00 H new ATOM 0 HG23 VAL A 923 0.721 15.345 25.327 1.00 0.00 H new ATOM 608 N SER A 924 -4.159 14.217 26.346 1.00 0.00 N ATOM 609 CA SER A 924 -5.528 13.837 26.024 1.00 0.00 C ATOM 610 C SER A 924 -6.299 14.975 25.349 1.00 0.00 C ATOM 611 O SER A 924 -7.438 14.789 24.924 1.00 0.00 O ATOM 612 CB SER A 924 -6.253 13.388 27.292 1.00 0.00 C ATOM 613 OG SER A 924 -5.557 12.322 27.920 1.00 0.00 O ATOM 0 H SER A 924 -4.048 14.650 27.263 1.00 0.00 H new ATOM 0 HA SER A 924 -5.484 13.011 25.314 1.00 0.00 H new ATOM 0 HB2 SER A 924 -6.341 14.227 27.982 1.00 0.00 H new ATOM 0 HB3 SER A 924 -7.266 13.071 27.044 1.00 0.00 H new ATOM 0 HG SER A 924 -6.037 12.051 28.730 1.00 0.00 H new ATOM 619 N SER A 925 -5.695 16.153 25.264 1.00 0.00 N ATOM 620 CA SER A 925 -6.338 17.274 24.597 1.00 0.00 C ATOM 621 C SER A 925 -5.875 17.373 23.146 1.00 0.00 C ATOM 622 O SER A 925 -4.678 17.458 22.859 1.00 0.00 O ATOM 623 CB SER A 925 -6.080 18.583 25.352 1.00 0.00 C ATOM 624 OG SER A 925 -4.705 18.766 25.628 1.00 0.00 O ATOM 0 H SER A 925 -4.770 16.355 25.645 1.00 0.00 H new ATOM 0 HA SER A 925 -7.414 17.100 24.596 1.00 0.00 H new ATOM 0 HB2 SER A 925 -6.447 19.422 24.761 1.00 0.00 H new ATOM 0 HB3 SER A 925 -6.641 18.581 26.286 1.00 0.00 H new ATOM 0 HG SER A 925 -4.174 18.459 24.864 1.00 0.00 H new ATOM 630 N ILE A 926 -6.835 17.348 22.234 1.00 0.00 N ATOM 631 CA ILE A 926 -6.546 17.373 20.812 1.00 0.00 C ATOM 632 C ILE A 926 -7.098 18.641 20.178 1.00 0.00 C ATOM 633 O ILE A 926 -8.095 19.198 20.642 1.00 0.00 O ATOM 634 CB ILE A 926 -7.120 16.120 20.098 1.00 0.00 C ATOM 635 CG1 ILE A 926 -8.649 16.055 20.204 1.00 0.00 C ATOM 636 CG2 ILE A 926 -6.511 14.859 20.686 1.00 0.00 C ATOM 637 CD1 ILE A 926 -9.374 16.697 19.040 1.00 0.00 C ATOM 0 H ILE A 926 -7.829 17.310 22.459 1.00 0.00 H new ATOM 0 HA ILE A 926 -5.463 17.363 20.692 1.00 0.00 H new ATOM 0 HB ILE A 926 -6.860 16.195 19.042 1.00 0.00 H new ATOM 0 HG12 ILE A 926 -8.954 15.011 20.278 1.00 0.00 H new ATOM 0 HG13 ILE A 926 -8.960 16.544 21.127 1.00 0.00 H new ATOM 0 HG21 ILE A 926 -6.921 13.986 20.178 1.00 0.00 H new ATOM 0 HG22 ILE A 926 -5.429 14.882 20.554 1.00 0.00 H new ATOM 0 HG23 ILE A 926 -6.745 14.803 21.749 1.00 0.00 H new ATOM 0 HD11 ILE A 926 -10.450 16.610 19.189 1.00 0.00 H new ATOM 0 HD12 ILE A 926 -9.100 17.750 18.977 1.00 0.00 H new ATOM 0 HD13 ILE A 926 -9.094 16.194 18.115 1.00 0.00 H new ATOM 649 N SER A 927 -6.449 19.106 19.131 1.00 0.00 N ATOM 650 CA SER A 927 -6.911 20.288 18.429 1.00 0.00 C ATOM 651 C SER A 927 -7.551 19.881 17.109 1.00 0.00 C ATOM 652 O SER A 927 -6.888 19.315 16.243 1.00 0.00 O ATOM 653 CB SER A 927 -5.743 21.249 18.189 1.00 0.00 C ATOM 654 OG SER A 927 -5.082 21.561 19.408 1.00 0.00 O ATOM 0 H SER A 927 -5.602 18.686 18.747 1.00 0.00 H new ATOM 0 HA SER A 927 -7.656 20.801 19.037 1.00 0.00 H new ATOM 0 HB2 SER A 927 -5.035 20.800 17.492 1.00 0.00 H new ATOM 0 HB3 SER A 927 -6.110 22.165 17.725 1.00 0.00 H new ATOM 0 HG SER A 927 -4.339 22.175 19.229 1.00 0.00 H new ATOM 660 N TYR A 928 -8.837 20.149 16.965 1.00 0.00 N ATOM 661 CA TYR A 928 -9.552 19.783 15.756 1.00 0.00 C ATOM 662 C TYR A 928 -9.622 20.975 14.818 1.00 0.00 C ATOM 663 O TYR A 928 -10.037 22.066 15.209 1.00 0.00 O ATOM 664 CB TYR A 928 -10.961 19.291 16.108 1.00 0.00 C ATOM 665 CG TYR A 928 -11.820 18.945 14.912 1.00 0.00 C ATOM 666 CD1 TYR A 928 -11.708 17.713 14.282 1.00 0.00 C ATOM 667 CD2 TYR A 928 -12.753 19.850 14.422 1.00 0.00 C ATOM 668 CE1 TYR A 928 -12.495 17.396 13.192 1.00 0.00 C ATOM 669 CE2 TYR A 928 -13.544 19.540 13.334 1.00 0.00 C ATOM 670 CZ TYR A 928 -13.413 18.311 12.723 1.00 0.00 C ATOM 671 OH TYR A 928 -14.202 17.996 11.637 1.00 0.00 O ATOM 0 H TYR A 928 -9.406 20.618 17.669 1.00 0.00 H new ATOM 0 HA TYR A 928 -9.019 18.975 15.254 1.00 0.00 H new ATOM 0 HB2 TYR A 928 -10.876 18.411 16.746 1.00 0.00 H new ATOM 0 HB3 TYR A 928 -11.466 20.061 16.692 1.00 0.00 H new ATOM 0 HD1 TYR A 928 -10.994 16.991 14.650 1.00 0.00 H new ATOM 0 HD2 TYR A 928 -12.861 20.812 14.900 1.00 0.00 H new ATOM 0 HE1 TYR A 928 -12.392 16.435 12.709 1.00 0.00 H new ATOM 0 HE2 TYR A 928 -14.262 20.257 12.963 1.00 0.00 H new ATOM 0 HH TYR A 928 -14.796 18.749 11.435 1.00 0.00 H new ATOM 681 N THR A 929 -9.224 20.760 13.583 1.00 0.00 N ATOM 682 CA THR A 929 -9.197 21.819 12.598 1.00 0.00 C ATOM 683 C THR A 929 -10.233 21.580 11.510 1.00 0.00 C ATOM 684 O THR A 929 -10.239 20.529 10.860 1.00 0.00 O ATOM 685 CB THR A 929 -7.802 21.928 11.951 1.00 0.00 C ATOM 686 OG1 THR A 929 -6.803 22.079 12.967 1.00 0.00 O ATOM 687 CG2 THR A 929 -7.731 23.104 10.987 1.00 0.00 C ATOM 0 H THR A 929 -8.912 19.853 13.235 1.00 0.00 H new ATOM 0 HA THR A 929 -9.430 22.750 13.114 1.00 0.00 H new ATOM 0 HB THR A 929 -7.619 21.012 11.389 1.00 0.00 H new ATOM 0 HG1 THR A 929 -5.919 22.146 12.549 1.00 0.00 H new ATOM 0 HG21 THR A 929 -6.735 23.154 10.547 1.00 0.00 H new ATOM 0 HG22 THR A 929 -8.470 22.972 10.197 1.00 0.00 H new ATOM 0 HG23 THR A 929 -7.937 24.029 11.526 1.00 0.00 H new ATOM 695 N SER A 930 -11.120 22.544 11.332 1.00 0.00 N ATOM 696 CA SER A 930 -12.023 22.541 10.201 1.00 0.00 C ATOM 697 C SER A 930 -11.864 23.839 9.419 1.00 0.00 C ATOM 698 O SER A 930 -12.408 24.873 9.806 1.00 0.00 O ATOM 699 CB SER A 930 -13.474 22.366 10.661 1.00 0.00 C ATOM 700 OG SER A 930 -14.374 22.507 9.572 1.00 0.00 O ATOM 0 H SER A 930 -11.232 23.340 11.960 1.00 0.00 H new ATOM 0 HA SER A 930 -11.774 21.700 9.554 1.00 0.00 H new ATOM 0 HB2 SER A 930 -13.599 21.383 11.116 1.00 0.00 H new ATOM 0 HB3 SER A 930 -13.707 23.104 11.428 1.00 0.00 H new ATOM 0 HG SER A 930 -15.293 22.390 9.890 1.00 0.00 H new ATOM 706 N PRO A 931 -11.101 23.808 8.312 1.00 0.00 N ATOM 707 CA PRO A 931 -10.875 24.991 7.469 1.00 0.00 C ATOM 708 C PRO A 931 -12.167 25.474 6.819 1.00 0.00 C ATOM 709 O PRO A 931 -12.235 26.570 6.265 1.00 0.00 O ATOM 710 CB PRO A 931 -9.889 24.500 6.399 1.00 0.00 C ATOM 711 CG PRO A 931 -9.319 23.230 6.938 1.00 0.00 C ATOM 712 CD PRO A 931 -10.393 22.626 7.796 1.00 0.00 C ATOM 0 HA PRO A 931 -10.499 25.837 8.045 1.00 0.00 H new ATOM 0 HB2 PRO A 931 -10.394 24.332 5.448 1.00 0.00 H new ATOM 0 HB3 PRO A 931 -9.106 25.237 6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 931 -9.039 22.554 6.130 1.00 0.00 H new ATOM 0 HG3 PRO A 931 -8.417 23.423 7.519 1.00 0.00 H new ATOM 0 HD2 PRO A 931 -11.054 21.978 7.220 1.00 0.00 H new ATOM 0 HD3 PRO A 931 -9.975 22.021 8.601 1.00 0.00 H new ATOM 720 N ASN A 932 -13.187 24.636 6.902 1.00 0.00 N ATOM 721 CA ASN A 932 -14.496 24.942 6.350 1.00 0.00 C ATOM 722 C ASN A 932 -15.332 25.730 7.360 1.00 0.00 C ATOM 723 O ASN A 932 -16.352 26.326 7.012 1.00 0.00 O ATOM 724 CB ASN A 932 -15.206 23.633 5.971 1.00 0.00 C ATOM 725 CG ASN A 932 -16.611 23.840 5.435 1.00 0.00 C ATOM 726 OD1 ASN A 932 -17.580 23.864 6.196 1.00 0.00 O ATOM 727 ND2 ASN A 932 -16.735 23.969 4.125 1.00 0.00 N ATOM 0 H ASN A 932 -13.131 23.724 7.354 1.00 0.00 H new ATOM 0 HA ASN A 932 -14.375 25.557 5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 932 -14.612 23.111 5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 932 -15.251 22.987 6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 932 -17.658 24.094 3.710 1.00 0.00 H new ATOM 0 HD22 ASN A 932 -15.907 23.944 3.529 1.00 0.00 H new ATOM 734 N GLY A 933 -14.890 25.749 8.613 1.00 0.00 N ATOM 735 CA GLY A 933 -15.673 26.396 9.642 1.00 0.00 C ATOM 736 C GLY A 933 -14.846 27.046 10.736 1.00 0.00 C ATOM 737 O GLY A 933 -14.890 28.265 10.902 1.00 0.00 O ATOM 0 H GLY A 933 -14.014 25.333 8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 933 -16.304 27.155 9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 933 -16.338 25.660 10.094 1.00 0.00 H new ATOM 741 N GLN A 934 -14.072 26.249 11.464 1.00 0.00 N ATOM 742 CA GLN A 934 -13.451 26.714 12.699 1.00 0.00 C ATOM 743 C GLN A 934 -12.488 25.660 13.244 1.00 0.00 C ATOM 744 O GLN A 934 -12.570 24.485 12.877 1.00 0.00 O ATOM 745 CB GLN A 934 -14.556 27.000 13.733 1.00 0.00 C ATOM 746 CG GLN A 934 -14.071 27.634 15.028 1.00 0.00 C ATOM 747 CD GLN A 934 -13.530 29.036 14.834 1.00 0.00 C ATOM 748 OE1 GLN A 934 -14.069 29.756 13.862 1.00 0.00 O flip ATOM 749 NE2 GLN A 934 -12.637 29.471 15.559 1.00 0.00 N flip ATOM 0 H GLN A 934 -13.860 25.281 11.222 1.00 0.00 H new ATOM 0 HA GLN A 934 -12.884 27.623 12.499 1.00 0.00 H new ATOM 0 HB2 GLN A 934 -15.297 27.657 13.279 1.00 0.00 H new ATOM 0 HB3 GLN A 934 -15.062 26.064 13.971 1.00 0.00 H new ATOM 0 HG2 GLN A 934 -14.894 27.664 15.742 1.00 0.00 H new ATOM 0 HG3 GLN A 934 -13.293 27.007 15.464 1.00 0.00 H new ATOM 0 HE21 GLN A 934 -12.248 28.884 16.297 1.00 0.00 H new ATOM 0 HE22 GLN A 934 -12.285 30.419 15.422 1.00 0.00 H new ATOM 758 N THR A 935 -11.555 26.078 14.090 1.00 0.00 N ATOM 759 CA THR A 935 -10.745 25.130 14.837 1.00 0.00 C ATOM 760 C THR A 935 -11.245 25.044 16.276 1.00 0.00 C ATOM 761 O THR A 935 -11.369 26.063 16.960 1.00 0.00 O ATOM 762 CB THR A 935 -9.256 25.536 14.842 1.00 0.00 C ATOM 763 OG1 THR A 935 -9.110 26.855 15.389 1.00 0.00 O ATOM 764 CG2 THR A 935 -8.677 25.502 13.438 1.00 0.00 C ATOM 0 H THR A 935 -11.343 27.059 14.274 1.00 0.00 H new ATOM 0 HA THR A 935 -10.835 24.160 14.349 1.00 0.00 H new ATOM 0 HB THR A 935 -8.712 24.821 15.459 1.00 0.00 H new ATOM 0 HG1 THR A 935 -9.880 27.060 15.959 1.00 0.00 H new ATOM 0 HG21 THR A 935 -7.627 25.792 13.470 1.00 0.00 H new ATOM 0 HG22 THR A 935 -8.762 24.493 13.034 1.00 0.00 H new ATOM 0 HG23 THR A 935 -9.226 26.196 12.801 1.00 0.00 H new ATOM 772 N THR A 936 -11.554 23.839 16.721 1.00 0.00 N ATOM 773 CA THR A 936 -11.996 23.614 18.085 1.00 0.00 C ATOM 774 C THR A 936 -11.054 22.650 18.799 1.00 0.00 C ATOM 775 O THR A 936 -10.715 21.602 18.260 1.00 0.00 O ATOM 776 CB THR A 936 -13.430 23.054 18.116 1.00 0.00 C ATOM 777 OG1 THR A 936 -14.294 23.889 17.333 1.00 0.00 O ATOM 778 CG2 THR A 936 -13.953 22.981 19.542 1.00 0.00 C ATOM 0 H THR A 936 -11.506 22.994 16.151 1.00 0.00 H new ATOM 0 HA THR A 936 -11.986 24.574 18.601 1.00 0.00 H new ATOM 0 HB THR A 936 -13.413 22.047 17.699 1.00 0.00 H new ATOM 0 HG1 THR A 936 -15.205 23.528 17.354 1.00 0.00 H new ATOM 0 HG21 THR A 936 -14.967 22.582 19.538 1.00 0.00 H new ATOM 0 HG22 THR A 936 -13.310 22.329 20.133 1.00 0.00 H new ATOM 0 HG23 THR A 936 -13.957 23.979 19.979 1.00 0.00 H new ATOM 786 N ARG A 937 -10.631 22.988 20.004 1.00 0.00 N ATOM 787 CA ARG A 937 -9.805 22.075 20.776 1.00 0.00 C ATOM 788 C ARG A 937 -10.664 21.293 21.760 1.00 0.00 C ATOM 789 O ARG A 937 -11.456 21.868 22.506 1.00 0.00 O ATOM 790 CB ARG A 937 -8.698 22.819 21.527 1.00 0.00 C ATOM 791 CG ARG A 937 -7.747 21.883 22.256 1.00 0.00 C ATOM 792 CD ARG A 937 -6.666 22.634 23.013 1.00 0.00 C ATOM 793 NE ARG A 937 -7.197 23.361 24.166 1.00 0.00 N ATOM 794 CZ ARG A 937 -6.928 23.041 25.430 1.00 0.00 C ATOM 795 NH1 ARG A 937 -6.227 21.949 25.707 1.00 0.00 N ATOM 796 NH2 ARG A 937 -7.367 23.807 26.417 1.00 0.00 N ATOM 0 H ARG A 937 -10.841 23.874 20.464 1.00 0.00 H new ATOM 0 HA ARG A 937 -9.333 21.383 20.078 1.00 0.00 H new ATOM 0 HB2 ARG A 937 -8.132 23.427 20.821 1.00 0.00 H new ATOM 0 HB3 ARG A 937 -9.149 23.503 22.246 1.00 0.00 H new ATOM 0 HG2 ARG A 937 -8.313 21.265 22.953 1.00 0.00 H new ATOM 0 HG3 ARG A 937 -7.282 21.209 21.537 1.00 0.00 H new ATOM 0 HD2 ARG A 937 -5.905 21.930 23.350 1.00 0.00 H new ATOM 0 HD3 ARG A 937 -6.175 23.336 22.339 1.00 0.00 H new ATOM 0 HE ARG A 937 -7.808 24.159 23.992 1.00 0.00 H new ATOM 0 HH11 ARG A 937 -5.893 21.352 24.951 1.00 0.00 H new ATOM 0 HH12 ARG A 937 -6.022 21.706 26.676 1.00 0.00 H new ATOM 0 HH21 ARG A 937 -7.912 24.644 26.209 1.00 0.00 H new ATOM 0 HH22 ARG A 937 -7.160 23.560 27.385 1.00 0.00 H new ATOM 810 N TYR A 938 -10.509 19.980 21.740 1.00 0.00 N ATOM 811 CA TYR A 938 -11.231 19.107 22.644 1.00 0.00 C ATOM 812 C TYR A 938 -10.272 18.575 23.698 1.00 0.00 C ATOM 813 O TYR A 938 -9.131 18.247 23.386 1.00 0.00 O ATOM 814 CB TYR A 938 -11.858 17.944 21.879 1.00 0.00 C ATOM 815 CG TYR A 938 -12.891 18.350 20.848 1.00 0.00 C ATOM 816 CD1 TYR A 938 -14.195 18.655 21.222 1.00 0.00 C ATOM 817 CD2 TYR A 938 -12.565 18.413 19.500 1.00 0.00 C ATOM 818 CE1 TYR A 938 -15.143 19.010 20.281 1.00 0.00 C ATOM 819 CE2 TYR A 938 -13.509 18.762 18.553 1.00 0.00 C ATOM 820 CZ TYR A 938 -14.795 19.061 18.948 1.00 0.00 C ATOM 821 OH TYR A 938 -15.740 19.400 18.004 1.00 0.00 O ATOM 0 H TYR A 938 -9.882 19.493 21.099 1.00 0.00 H new ATOM 0 HA TYR A 938 -12.029 19.673 23.124 1.00 0.00 H new ATOM 0 HB2 TYR A 938 -11.066 17.386 21.380 1.00 0.00 H new ATOM 0 HB3 TYR A 938 -12.324 17.266 22.594 1.00 0.00 H new ATOM 0 HD1 TYR A 938 -14.472 18.614 22.265 1.00 0.00 H new ATOM 0 HD2 TYR A 938 -11.557 18.185 19.186 1.00 0.00 H new ATOM 0 HE1 TYR A 938 -16.151 19.246 20.588 1.00 0.00 H new ATOM 0 HE2 TYR A 938 -13.240 18.800 17.508 1.00 0.00 H new ATOM 0 HH TYR A 938 -15.331 19.390 17.114 1.00 0.00 H new ATOM 831 N GLY A 939 -10.722 18.498 24.937 1.00 0.00 N ATOM 832 CA GLY A 939 -9.845 18.054 25.996 1.00 0.00 C ATOM 833 C GLY A 939 -10.571 17.286 27.074 1.00 0.00 C ATOM 834 O GLY A 939 -11.763 17.001 26.952 1.00 0.00 O ATOM 0 H GLY A 939 -11.671 18.733 25.228 1.00 0.00 H new ATOM 0 HA2 GLY A 939 -9.062 17.425 25.573 1.00 0.00 H new ATOM 0 HA3 GLY A 939 -9.353 18.919 26.441 1.00 0.00 H new ATOM 838 N GLU A 940 -9.846 16.985 28.142 1.00 0.00 N ATOM 839 CA GLU A 940 -10.375 16.228 29.271 1.00 0.00 C ATOM 840 C GLU A 940 -11.464 17.004 30.006 1.00 0.00 C ATOM 841 O GLU A 940 -12.341 16.415 30.637 1.00 0.00 O ATOM 842 CB GLU A 940 -9.241 15.865 30.243 1.00 0.00 C ATOM 843 CG GLU A 940 -7.999 16.756 30.141 1.00 0.00 C ATOM 844 CD GLU A 940 -8.268 18.227 30.420 1.00 0.00 C ATOM 845 OE1 GLU A 940 -8.203 18.638 31.596 1.00 0.00 O ATOM 846 OE2 GLU A 940 -8.532 18.982 29.458 1.00 0.00 O ATOM 0 H GLU A 940 -8.870 17.260 28.252 1.00 0.00 H new ATOM 0 HA GLU A 940 -10.821 15.314 28.878 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -9.625 15.915 31.262 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -8.945 14.831 30.065 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -7.247 16.395 30.843 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -7.575 16.658 29.142 1.00 0.00 H new ATOM 853 N ASN A 941 -11.398 18.324 29.923 1.00 0.00 N ATOM 854 CA ASN A 941 -12.389 19.185 30.556 1.00 0.00 C ATOM 855 C ASN A 941 -13.456 19.619 29.559 1.00 0.00 C ATOM 856 O ASN A 941 -14.316 20.436 29.878 1.00 0.00 O ATOM 857 CB ASN A 941 -11.720 20.419 31.167 1.00 0.00 C ATOM 858 CG ASN A 941 -11.453 20.265 32.650 1.00 0.00 C ATOM 859 OD1 ASN A 941 -12.286 20.624 33.479 1.00 0.00 O ATOM 860 ND2 ASN A 941 -10.295 19.729 32.998 1.00 0.00 N ATOM 0 H ASN A 941 -10.665 18.826 29.421 1.00 0.00 H new ATOM 0 HA ASN A 941 -12.868 18.610 31.349 1.00 0.00 H new ATOM 0 HB2 ASN A 941 -10.779 20.610 30.651 1.00 0.00 H new ATOM 0 HB3 ASN A 941 -12.356 21.290 31.005 1.00 0.00 H new ATOM 0 HD21 ASN A 941 -10.068 19.601 33.984 1.00 0.00 H new ATOM 0 HD22 ASN A 941 -9.629 19.443 32.280 1.00 0.00 H new ATOM 867 N GLU A 942 -13.413 19.052 28.364 1.00 0.00 N ATOM 868 CA GLU A 942 -14.333 19.437 27.303 1.00 0.00 C ATOM 869 C GLU A 942 -15.287 18.296 26.965 1.00 0.00 C ATOM 870 O GLU A 942 -14.946 17.122 27.118 1.00 0.00 O ATOM 871 CB GLU A 942 -13.553 19.854 26.053 1.00 0.00 C ATOM 872 CG GLU A 942 -12.711 21.105 26.245 1.00 0.00 C ATOM 873 CD GLU A 942 -13.540 22.373 26.292 1.00 0.00 C ATOM 874 OE1 GLU A 942 -14.442 22.477 27.148 1.00 0.00 O ATOM 875 OE2 GLU A 942 -13.288 23.277 25.469 1.00 0.00 O ATOM 0 H GLU A 942 -12.750 18.322 28.103 1.00 0.00 H new ATOM 0 HA GLU A 942 -14.922 20.283 27.657 1.00 0.00 H new ATOM 0 HB2 GLU A 942 -12.903 19.033 25.751 1.00 0.00 H new ATOM 0 HB3 GLU A 942 -14.256 20.022 25.237 1.00 0.00 H new ATOM 0 HG2 GLU A 942 -12.141 21.015 27.170 1.00 0.00 H new ATOM 0 HG3 GLU A 942 -11.989 21.179 25.432 1.00 0.00 H new ATOM 882 N LYS A 943 -16.481 18.649 26.511 1.00 0.00 N ATOM 883 CA LYS A 943 -17.462 17.663 26.091 1.00 0.00 C ATOM 884 C LYS A 943 -17.063 17.079 24.742 1.00 0.00 C ATOM 885 O LYS A 943 -16.892 17.811 23.763 1.00 0.00 O ATOM 886 CB LYS A 943 -18.846 18.311 25.999 1.00 0.00 C ATOM 887 CG LYS A 943 -19.896 17.443 25.326 1.00 0.00 C ATOM 888 CD LYS A 943 -20.251 16.229 26.164 1.00 0.00 C ATOM 889 CE LYS A 943 -21.199 15.302 25.419 1.00 0.00 C ATOM 890 NZ LYS A 943 -22.386 16.025 24.887 1.00 0.00 N ATOM 0 H LYS A 943 -16.793 19.616 26.424 1.00 0.00 H new ATOM 0 HA LYS A 943 -17.499 16.859 26.826 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -19.186 18.560 27.004 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -18.760 19.249 25.450 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -20.794 18.034 25.145 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -19.528 17.117 24.353 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -19.342 15.688 26.428 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -20.712 16.551 27.098 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -20.667 14.825 24.596 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -21.529 14.507 26.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -23.098 15.337 24.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -22.792 16.623 25.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -22.098 16.622 24.085 1.00 0.00 H new ATOM 904 N LEU A 944 -16.901 15.768 24.696 1.00 0.00 N ATOM 905 CA LEU A 944 -16.509 15.103 23.467 1.00 0.00 C ATOM 906 C LEU A 944 -17.714 14.507 22.750 1.00 0.00 C ATOM 907 O LEU A 944 -18.549 13.842 23.365 1.00 0.00 O ATOM 908 CB LEU A 944 -15.481 14.007 23.760 1.00 0.00 C ATOM 909 CG LEU A 944 -14.168 14.497 24.372 1.00 0.00 C ATOM 910 CD1 LEU A 944 -13.196 13.345 24.553 1.00 0.00 C ATOM 911 CD2 LEU A 944 -13.548 15.570 23.500 1.00 0.00 C ATOM 0 H LEU A 944 -17.034 15.145 25.493 1.00 0.00 H new ATOM 0 HA LEU A 944 -16.060 15.851 22.813 1.00 0.00 H new ATOM 0 HB2 LEU A 944 -15.930 13.280 24.437 1.00 0.00 H new ATOM 0 HB3 LEU A 944 -15.258 13.482 22.831 1.00 0.00 H new ATOM 0 HG LEU A 944 -14.386 14.922 25.352 1.00 0.00 H new ATOM 0 HD11 LEU A 944 -12.269 13.716 24.990 1.00 0.00 H new ATOM 0 HD12 LEU A 944 -13.635 12.599 25.215 1.00 0.00 H new ATOM 0 HD13 LEU A 944 -12.985 12.892 23.585 1.00 0.00 H new ATOM 0 HD21 LEU A 944 -12.614 15.909 23.949 1.00 0.00 H new ATOM 0 HD22 LEU A 944 -13.348 15.163 22.509 1.00 0.00 H new ATOM 0 HD23 LEU A 944 -14.236 16.411 23.414 1.00 0.00 H new ATOM 923 N PRO A 945 -17.823 14.752 21.438 1.00 0.00 N ATOM 924 CA PRO A 945 -18.814 14.098 20.598 1.00 0.00 C ATOM 925 C PRO A 945 -18.324 12.730 20.117 1.00 0.00 C ATOM 926 O PRO A 945 -17.158 12.382 20.314 1.00 0.00 O ATOM 927 CB PRO A 945 -18.986 15.069 19.431 1.00 0.00 C ATOM 928 CG PRO A 945 -17.704 15.832 19.347 1.00 0.00 C ATOM 929 CD PRO A 945 -17.011 15.717 20.684 1.00 0.00 C ATOM 0 HA PRO A 945 -19.747 13.897 21.124 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -19.185 14.534 18.502 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -19.830 15.738 19.600 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -17.073 15.432 18.554 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -17.896 16.877 19.105 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -15.984 15.369 20.570 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -16.966 16.680 21.192 1.00 0.00 H new ATOM 937 N ASP A 946 -19.209 11.975 19.472 1.00 0.00 N ATOM 938 CA ASP A 946 -18.948 10.571 19.132 1.00 0.00 C ATOM 939 C ASP A 946 -17.645 10.370 18.366 1.00 0.00 C ATOM 940 O ASP A 946 -16.748 9.671 18.840 1.00 0.00 O ATOM 941 CB ASP A 946 -20.107 9.982 18.323 1.00 0.00 C ATOM 942 CG ASP A 946 -21.334 9.716 19.168 1.00 0.00 C ATOM 943 OD1 ASP A 946 -21.377 8.675 19.851 1.00 0.00 O ATOM 944 OD2 ASP A 946 -22.265 10.553 19.157 1.00 0.00 O ATOM 0 H ASP A 946 -20.123 12.312 19.170 1.00 0.00 H new ATOM 0 HA ASP A 946 -18.853 10.047 20.083 1.00 0.00 H new ATOM 0 HB2 ASP A 946 -20.368 10.668 17.517 1.00 0.00 H new ATOM 0 HB3 ASP A 946 -19.783 9.051 17.857 1.00 0.00 H new ATOM 949 N TYR A 947 -17.533 10.976 17.192 1.00 0.00 N ATOM 950 CA TYR A 947 -16.375 10.741 16.332 1.00 0.00 C ATOM 951 C TYR A 947 -15.086 11.245 16.972 1.00 0.00 C ATOM 952 O TYR A 947 -14.016 10.667 16.767 1.00 0.00 O ATOM 953 CB TYR A 947 -16.578 11.392 14.962 1.00 0.00 C ATOM 954 CG TYR A 947 -17.460 10.580 14.037 1.00 0.00 C ATOM 955 CD1 TYR A 947 -18.845 10.628 14.140 1.00 0.00 C ATOM 956 CD2 TYR A 947 -16.905 9.759 13.063 1.00 0.00 C ATOM 957 CE1 TYR A 947 -19.650 9.880 13.302 1.00 0.00 C ATOM 958 CE2 TYR A 947 -17.703 9.010 12.219 1.00 0.00 C ATOM 959 CZ TYR A 947 -19.073 9.073 12.343 1.00 0.00 C ATOM 960 OH TYR A 947 -19.871 8.322 11.507 1.00 0.00 O ATOM 0 H TYR A 947 -18.220 11.628 16.814 1.00 0.00 H new ATOM 0 HA TYR A 947 -16.281 9.663 16.199 1.00 0.00 H new ATOM 0 HB2 TYR A 947 -17.019 12.380 15.099 1.00 0.00 H new ATOM 0 HB3 TYR A 947 -15.607 11.539 14.490 1.00 0.00 H new ATOM 0 HD1 TYR A 947 -19.300 11.261 14.888 1.00 0.00 H new ATOM 0 HD2 TYR A 947 -15.831 9.705 12.964 1.00 0.00 H new ATOM 0 HE1 TYR A 947 -20.725 9.927 13.397 1.00 0.00 H new ATOM 0 HE2 TYR A 947 -17.254 8.379 11.466 1.00 0.00 H new ATOM 0 HH TYR A 947 -19.308 7.811 10.889 1.00 0.00 H new ATOM 970 N ILE A 948 -15.189 12.299 17.768 1.00 0.00 N ATOM 971 CA ILE A 948 -14.031 12.820 18.483 1.00 0.00 C ATOM 972 C ILE A 948 -13.586 11.838 19.562 1.00 0.00 C ATOM 973 O ILE A 948 -12.391 11.595 19.732 1.00 0.00 O ATOM 974 CB ILE A 948 -14.316 14.204 19.100 1.00 0.00 C ATOM 975 CG1 ILE A 948 -14.622 15.221 17.997 1.00 0.00 C ATOM 976 CG2 ILE A 948 -13.144 14.675 19.949 1.00 0.00 C ATOM 977 CD1 ILE A 948 -13.509 15.382 16.983 1.00 0.00 C ATOM 0 H ILE A 948 -16.057 12.808 17.935 1.00 0.00 H new ATOM 0 HA ILE A 948 -13.225 12.942 17.760 1.00 0.00 H new ATOM 0 HB ILE A 948 -15.187 14.116 19.749 1.00 0.00 H new ATOM 0 HG12 ILE A 948 -15.531 14.917 17.478 1.00 0.00 H new ATOM 0 HG13 ILE A 948 -14.825 16.189 18.455 1.00 0.00 H new ATOM 0 HG21 ILE A 948 -13.371 15.653 20.372 1.00 0.00 H new ATOM 0 HG22 ILE A 948 -12.969 13.963 20.755 1.00 0.00 H new ATOM 0 HG23 ILE A 948 -12.251 14.747 19.328 1.00 0.00 H new ATOM 0 HD11 ILE A 948 -13.802 16.119 16.235 1.00 0.00 H new ATOM 0 HD12 ILE A 948 -12.603 15.717 17.488 1.00 0.00 H new ATOM 0 HD13 ILE A 948 -13.320 14.426 16.495 1.00 0.00 H new ATOM 989 N LYS A 949 -14.553 11.259 20.272 1.00 0.00 N ATOM 990 CA LYS A 949 -14.263 10.231 21.271 1.00 0.00 C ATOM 991 C LYS A 949 -13.539 9.059 20.619 1.00 0.00 C ATOM 992 O LYS A 949 -12.549 8.550 21.148 1.00 0.00 O ATOM 993 CB LYS A 949 -15.560 9.736 21.926 1.00 0.00 C ATOM 994 CG LYS A 949 -16.247 10.773 22.801 1.00 0.00 C ATOM 995 CD LYS A 949 -17.651 10.336 23.202 1.00 0.00 C ATOM 996 CE LYS A 949 -17.636 9.026 23.972 1.00 0.00 C ATOM 997 NZ LYS A 949 -19.006 8.576 24.333 1.00 0.00 N ATOM 0 H LYS A 949 -15.543 11.484 20.174 1.00 0.00 H new ATOM 0 HA LYS A 949 -13.625 10.667 22.039 1.00 0.00 H new ATOM 0 HB2 LYS A 949 -16.251 9.419 21.145 1.00 0.00 H new ATOM 0 HB3 LYS A 949 -15.337 8.856 22.530 1.00 0.00 H new ATOM 0 HG2 LYS A 949 -15.650 10.945 23.697 1.00 0.00 H new ATOM 0 HG3 LYS A 949 -16.300 11.721 22.266 1.00 0.00 H new ATOM 0 HD2 LYS A 949 -18.112 11.112 23.813 1.00 0.00 H new ATOM 0 HD3 LYS A 949 -18.266 10.226 22.309 1.00 0.00 H new ATOM 0 HE2 LYS A 949 -17.149 8.258 23.371 1.00 0.00 H new ATOM 0 HE3 LYS A 949 -17.043 9.145 24.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 949 -18.950 7.679 24.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 949 -19.463 9.297 24.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 949 -19.565 8.437 23.467 1.00 0.00 H new ATOM 1011 N GLN A 950 -14.037 8.650 19.457 1.00 0.00 N ATOM 1012 CA GLN A 950 -13.415 7.578 18.689 1.00 0.00 C ATOM 1013 C GLN A 950 -11.993 7.956 18.298 1.00 0.00 C ATOM 1014 O GLN A 950 -11.088 7.121 18.320 1.00 0.00 O ATOM 1015 CB GLN A 950 -14.237 7.255 17.439 1.00 0.00 C ATOM 1016 CG GLN A 950 -15.662 6.823 17.741 1.00 0.00 C ATOM 1017 CD GLN A 950 -15.730 5.647 18.699 1.00 0.00 C ATOM 1018 OE1 GLN A 950 -15.791 5.825 19.914 1.00 0.00 O ATOM 1019 NE2 GLN A 950 -15.728 4.438 18.161 1.00 0.00 N ATOM 0 H GLN A 950 -14.872 9.046 19.026 1.00 0.00 H new ATOM 0 HA GLN A 950 -13.381 6.689 19.318 1.00 0.00 H new ATOM 0 HB2 GLN A 950 -14.262 8.133 16.794 1.00 0.00 H new ATOM 0 HB3 GLN A 950 -13.737 6.464 16.881 1.00 0.00 H new ATOM 0 HG2 GLN A 950 -16.209 7.664 18.166 1.00 0.00 H new ATOM 0 HG3 GLN A 950 -16.161 6.556 16.809 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -15.676 4.331 17.148 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -15.778 3.613 18.759 1.00 0.00 H new ATOM 1028 N LYS A 951 -11.797 9.219 17.942 1.00 0.00 N ATOM 1029 CA LYS A 951 -10.475 9.707 17.580 1.00 0.00 C ATOM 1030 C LYS A 951 -9.524 9.670 18.766 1.00 0.00 C ATOM 1031 O LYS A 951 -8.369 9.279 18.616 1.00 0.00 O ATOM 1032 CB LYS A 951 -10.545 11.122 17.011 1.00 0.00 C ATOM 1033 CG LYS A 951 -11.090 11.175 15.595 1.00 0.00 C ATOM 1034 CD LYS A 951 -10.232 10.367 14.624 1.00 0.00 C ATOM 1035 CE LYS A 951 -8.924 11.069 14.270 1.00 0.00 C ATOM 1036 NZ LYS A 951 -7.951 11.084 15.400 1.00 0.00 N ATOM 0 H LYS A 951 -12.535 9.921 17.897 1.00 0.00 H new ATOM 0 HA LYS A 951 -10.088 9.041 16.809 1.00 0.00 H new ATOM 0 HB2 LYS A 951 -11.173 11.735 17.657 1.00 0.00 H new ATOM 0 HB3 LYS A 951 -9.548 11.561 17.025 1.00 0.00 H new ATOM 0 HG2 LYS A 951 -12.110 10.791 15.584 1.00 0.00 H new ATOM 0 HG3 LYS A 951 -11.136 12.212 15.262 1.00 0.00 H new ATOM 0 HD2 LYS A 951 -10.010 9.395 15.064 1.00 0.00 H new ATOM 0 HD3 LYS A 951 -10.799 10.182 13.712 1.00 0.00 H new ATOM 0 HE2 LYS A 951 -8.470 10.571 13.413 1.00 0.00 H new ATOM 0 HE3 LYS A 951 -9.138 12.094 13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 951 -7.000 10.861 15.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 951 -7.944 12.027 15.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 951 -8.230 10.374 16.107 1.00 0.00 H new ATOM 1050 N LEU A 952 -10.005 10.080 19.934 1.00 0.00 N ATOM 1051 CA LEU A 952 -9.201 10.027 21.155 1.00 0.00 C ATOM 1052 C LEU A 952 -8.814 8.591 21.473 1.00 0.00 C ATOM 1053 O LEU A 952 -7.703 8.320 21.933 1.00 0.00 O ATOM 1054 CB LEU A 952 -9.958 10.640 22.341 1.00 0.00 C ATOM 1055 CG LEU A 952 -9.673 12.121 22.614 1.00 0.00 C ATOM 1056 CD1 LEU A 952 -8.198 12.332 22.912 1.00 0.00 C ATOM 1057 CD2 LEU A 952 -10.109 12.986 21.444 1.00 0.00 C ATOM 0 H LEU A 952 -10.946 10.453 20.064 1.00 0.00 H new ATOM 0 HA LEU A 952 -8.296 10.611 20.986 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -11.027 10.520 22.167 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -9.715 10.070 23.238 1.00 0.00 H new ATOM 0 HG LEU A 952 -10.251 12.421 23.488 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -8.013 13.389 23.103 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -7.917 11.750 23.790 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -7.604 12.009 22.057 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -9.895 14.032 21.665 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -9.566 12.686 20.548 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -11.179 12.862 21.279 1.00 0.00 H new ATOM 1069 N GLN A 953 -9.730 7.674 21.199 1.00 0.00 N ATOM 1070 CA GLN A 953 -9.496 6.257 21.436 1.00 0.00 C ATOM 1071 C GLN A 953 -8.446 5.716 20.465 1.00 0.00 C ATOM 1072 O GLN A 953 -7.677 4.822 20.804 1.00 0.00 O ATOM 1073 CB GLN A 953 -10.810 5.476 21.302 1.00 0.00 C ATOM 1074 CG GLN A 953 -10.679 3.981 21.562 1.00 0.00 C ATOM 1075 CD GLN A 953 -10.132 3.656 22.945 1.00 0.00 C ATOM 1076 OE1 GLN A 953 -10.415 4.507 23.923 1.00 0.00 O flip ATOM 1077 NE2 GLN A 953 -9.459 2.638 23.132 1.00 0.00 N flip ATOM 0 H GLN A 953 -10.648 7.888 20.810 1.00 0.00 H new ATOM 0 HA GLN A 953 -9.117 6.130 22.450 1.00 0.00 H new ATOM 0 HB2 GLN A 953 -11.539 5.892 21.998 1.00 0.00 H new ATOM 0 HB3 GLN A 953 -11.207 5.625 20.298 1.00 0.00 H new ATOM 0 HG2 GLN A 953 -11.656 3.512 21.446 1.00 0.00 H new ATOM 0 HG3 GLN A 953 -10.024 3.544 20.808 1.00 0.00 H new ATOM 0 HE21 GLN A 953 -9.262 2.007 22.355 1.00 0.00 H new ATOM 0 HE22 GLN A 953 -9.100 2.428 24.063 1.00 0.00 H new ATOM 1086 N CYS A 954 -8.403 6.285 19.268 1.00 0.00 N ATOM 1087 CA CYS A 954 -7.461 5.850 18.244 1.00 0.00 C ATOM 1088 C CYS A 954 -6.020 6.207 18.620 1.00 0.00 C ATOM 1089 O CYS A 954 -5.074 5.556 18.178 1.00 0.00 O ATOM 1090 CB CYS A 954 -7.828 6.492 16.904 1.00 0.00 C ATOM 1091 SG CYS A 954 -6.716 6.080 15.541 1.00 0.00 S ATOM 0 H CYS A 954 -9.012 7.052 18.981 1.00 0.00 H new ATOM 0 HA CYS A 954 -7.524 4.765 18.161 1.00 0.00 H new ATOM 0 HB2 CYS A 954 -8.839 6.187 16.635 1.00 0.00 H new ATOM 0 HB3 CYS A 954 -7.844 7.575 17.027 1.00 0.00 H new ATOM 0 HG CYS A 954 -5.564 5.712 16.017 1.00 0.00 H new ATOM 1097 N LEU A 955 -5.859 7.236 19.444 1.00 0.00 N ATOM 1098 CA LEU A 955 -4.533 7.685 19.865 1.00 0.00 C ATOM 1099 C LEU A 955 -3.885 6.715 20.853 1.00 0.00 C ATOM 1100 O LEU A 955 -2.681 6.779 21.095 1.00 0.00 O ATOM 1101 CB LEU A 955 -4.602 9.089 20.473 1.00 0.00 C ATOM 1102 CG LEU A 955 -4.396 10.250 19.490 1.00 0.00 C ATOM 1103 CD1 LEU A 955 -3.040 10.144 18.810 1.00 0.00 C ATOM 1104 CD2 LEU A 955 -5.504 10.296 18.449 1.00 0.00 C ATOM 0 H LEU A 955 -6.630 7.777 19.835 1.00 0.00 H new ATOM 0 HA LEU A 955 -3.909 7.714 18.972 1.00 0.00 H new ATOM 0 HB2 LEU A 955 -5.574 9.210 20.952 1.00 0.00 H new ATOM 0 HB3 LEU A 955 -3.849 9.163 21.257 1.00 0.00 H new ATOM 0 HG LEU A 955 -4.430 11.177 20.062 1.00 0.00 H new ATOM 0 HD11 LEU A 955 -2.914 10.976 18.118 1.00 0.00 H new ATOM 0 HD12 LEU A 955 -2.252 10.176 19.563 1.00 0.00 H new ATOM 0 HD13 LEU A 955 -2.980 9.204 18.262 1.00 0.00 H new ATOM 0 HD21 LEU A 955 -5.329 11.129 17.768 1.00 0.00 H new ATOM 0 HD22 LEU A 955 -5.513 9.363 17.886 1.00 0.00 H new ATOM 0 HD23 LEU A 955 -6.465 10.429 18.946 1.00 0.00 H new