USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=21 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 951 LYS NZ :NH3+ 162:sc= 0.98 (180deg=-0.594) USER MOD Set 1.2: A 954 CYS SG : rot -8:sc= 0.269! USER MOD Set 2.1: A 949 LYS NZ :NH3+ -157:sc= -0.732 (180deg=-1.52!) USER MOD Set 2.2: A 950 GLN : amide:sc= -0.966 K(o=-1.7,f=-3) USER MOD Set 3.1: A 929 THR OG1 : rot 93:sc= 1.23 USER MOD Set 3.2: A 935 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 889 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 890 SER OG : rot 180:sc= 0.00746 USER MOD Single : A 894 LYS NZ :NH3+ -165:sc=-0.00686 (180deg=-0.177) USER MOD Single : A 895 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 900 THR OG1 : rot 180:sc= 0 USER MOD Single : A 901 GLN : amide:sc= -0.378 K(o=-0.38,f=-3.4!) USER MOD Single : A 903 THR OG1 : rot 180:sc= 0 USER MOD Single : A 904 SER OG : rot -31:sc= 0.715 USER MOD Single : A 910 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 912 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 915 SER OG : rot -85:sc= -0.712 USER MOD Single : A 916 GLN : amide:sc= -1.23! C(o=-1.2!,f=-4.3!) USER MOD Single : A 920 GLN : amide:sc= -0.907 K(o=-0.91,f=-5.3!) USER MOD Single : A 924 SER OG : rot -23:sc= 0.422 USER MOD Single : A 925 SER OG : rot 180:sc= -0.247 USER MOD Single : A 927 SER OG : rot 180:sc= 0 USER MOD Single : A 928 TYR OH : rot 15:sc= -0.634 USER MOD Single : A 930 SER OG : rot 180:sc= 0 USER MOD Single : A 932 ASN : amide:sc= -0.0285 K(o=-0.029,f=-2.1!) USER MOD Single : A 934 GLN : amide:sc= 0 X(o=0,f=0) 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 :FLIP amide:sc= -0.0205 F(o=-1.1,f=-0.021) USER MOD Single : A 943 LYS NZ :NH3+ 158:sc= 1.16 (180deg=0.638) USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 953 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 889 5.422 8.009 7.340 1.00 0.00 N ATOM 84 CA LYS A 889 5.503 8.834 8.544 1.00 0.00 C ATOM 85 C LYS A 889 4.127 9.000 9.180 1.00 0.00 C ATOM 86 O LYS A 889 4.005 9.433 10.327 1.00 0.00 O ATOM 87 CB LYS A 889 6.092 10.208 8.202 1.00 0.00 C ATOM 88 CG LYS A 889 5.200 11.053 7.304 1.00 0.00 C ATOM 89 CD LYS A 889 5.962 12.217 6.691 1.00 0.00 C ATOM 90 CE LYS A 889 7.059 11.727 5.758 1.00 0.00 C ATOM 91 NZ LYS A 889 7.763 12.847 5.081 1.00 0.00 N ATOM 0 HA LYS A 889 6.155 8.333 9.260 1.00 0.00 H new ATOM 0 HB2 LYS A 889 6.280 10.753 9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 889 7.056 10.068 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 889 4.787 10.430 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 889 4.357 11.433 7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 889 5.272 12.857 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 889 6.399 12.826 7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 889 7.779 11.137 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 889 6.626 11.066 5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 889 8.501 12.466 4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 889 7.082 13.395 4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 889 8.199 13.465 5.795 1.00 0.00 H new ATOM 105 N SER A 890 3.098 8.671 8.421 1.00 0.00 N ATOM 106 CA SER A 890 1.736 8.765 8.903 1.00 0.00 C ATOM 107 C SER A 890 1.159 7.378 9.171 1.00 0.00 C ATOM 108 O SER A 890 1.605 6.388 8.598 1.00 0.00 O ATOM 109 CB SER A 890 0.883 9.525 7.886 1.00 0.00 C ATOM 110 OG SER A 890 1.206 9.134 6.559 1.00 0.00 O ATOM 0 H SER A 890 3.183 8.334 7.462 1.00 0.00 H new ATOM 0 HA SER A 890 1.730 9.312 9.846 1.00 0.00 H new ATOM 0 HB2 SER A 890 -0.173 9.336 8.078 1.00 0.00 H new ATOM 0 HB3 SER A 890 1.041 10.597 8.002 1.00 0.00 H new ATOM 0 HG SER A 890 0.647 9.632 5.926 1.00 0.00 H new ATOM 116 N VAL A 891 0.194 7.308 10.070 1.00 0.00 N ATOM 117 CA VAL A 891 -0.488 6.061 10.366 1.00 0.00 C ATOM 118 C VAL A 891 -1.991 6.253 10.206 1.00 0.00 C ATOM 119 O VAL A 891 -2.536 7.283 10.600 1.00 0.00 O ATOM 120 CB VAL A 891 -0.185 5.582 11.807 1.00 0.00 C ATOM 121 CG1 VAL A 891 -0.846 4.241 12.094 1.00 0.00 C ATOM 122 CG2 VAL A 891 1.316 5.498 12.045 1.00 0.00 C ATOM 0 H VAL A 891 -0.137 8.107 10.611 1.00 0.00 H new ATOM 0 HA VAL A 891 -0.128 5.304 9.669 1.00 0.00 H new ATOM 0 HB VAL A 891 -0.603 6.317 12.494 1.00 0.00 H new ATOM 0 HG11 VAL A 891 -0.614 3.932 13.113 1.00 0.00 H new ATOM 0 HG12 VAL A 891 -1.926 4.336 11.980 1.00 0.00 H new ATOM 0 HG13 VAL A 891 -0.472 3.494 11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 891 1.504 5.159 13.064 1.00 0.00 H new ATOM 0 HG22 VAL A 891 1.757 4.793 11.341 1.00 0.00 H new ATOM 0 HG23 VAL A 891 1.763 6.482 11.901 1.00 0.00 H new ATOM 132 N PHE A 892 -2.657 5.271 9.625 1.00 0.00 N ATOM 133 CA PHE A 892 -4.100 5.328 9.465 1.00 0.00 C ATOM 134 C PHE A 892 -4.772 4.557 10.589 1.00 0.00 C ATOM 135 O PHE A 892 -4.392 3.425 10.885 1.00 0.00 O ATOM 136 CB PHE A 892 -4.524 4.776 8.094 1.00 0.00 C ATOM 137 CG PHE A 892 -4.092 3.358 7.826 1.00 0.00 C ATOM 138 CD1 PHE A 892 -2.806 3.081 7.387 1.00 0.00 C ATOM 139 CD2 PHE A 892 -4.975 2.302 8.009 1.00 0.00 C ATOM 140 CE1 PHE A 892 -2.408 1.782 7.138 1.00 0.00 C ATOM 141 CE2 PHE A 892 -4.581 1.000 7.761 1.00 0.00 C ATOM 142 CZ PHE A 892 -3.296 0.740 7.325 1.00 0.00 C ATOM 0 H PHE A 892 -2.223 4.425 9.256 1.00 0.00 H new ATOM 0 HA PHE A 892 -4.417 6.370 9.513 1.00 0.00 H new ATOM 0 HB2 PHE A 892 -5.610 4.832 8.015 1.00 0.00 H new ATOM 0 HB3 PHE A 892 -4.114 5.420 7.316 1.00 0.00 H new ATOM 0 HD1 PHE A 892 -2.107 3.891 7.238 1.00 0.00 H new ATOM 0 HD2 PHE A 892 -5.981 2.500 8.349 1.00 0.00 H new ATOM 0 HE1 PHE A 892 -1.403 1.581 6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 892 -5.277 0.187 7.908 1.00 0.00 H new ATOM 0 HZ PHE A 892 -2.986 -0.276 7.131 1.00 0.00 H new ATOM 152 N VAL A 893 -5.745 5.180 11.238 1.00 0.00 N ATOM 153 CA VAL A 893 -6.441 4.532 12.337 1.00 0.00 C ATOM 154 C VAL A 893 -7.912 4.334 11.998 1.00 0.00 C ATOM 155 O VAL A 893 -8.646 5.316 11.765 1.00 0.00 O ATOM 156 CB VAL A 893 -6.326 5.349 13.643 1.00 0.00 C ATOM 157 CG1 VAL A 893 -6.982 4.605 14.798 1.00 0.00 C ATOM 158 CG2 VAL A 893 -4.871 5.656 13.961 1.00 0.00 C ATOM 0 H VAL A 893 -6.067 6.124 11.025 1.00 0.00 H new ATOM 0 HA VAL A 893 -5.967 3.562 12.490 1.00 0.00 H new ATOM 0 HB VAL A 893 -6.849 6.295 13.501 1.00 0.00 H new ATOM 0 HG11 VAL A 893 -6.891 5.196 15.710 1.00 0.00 H new ATOM 0 HG12 VAL A 893 -8.036 4.443 14.574 1.00 0.00 H new ATOM 0 HG13 VAL A 893 -6.489 3.643 14.938 1.00 0.00 H new ATOM 0 HG21 VAL A 893 -4.814 6.232 14.885 1.00 0.00 H new ATOM 0 HG22 VAL A 893 -4.320 4.723 14.081 1.00 0.00 H new ATOM 0 HG23 VAL A 893 -4.434 6.233 13.146 1.00 0.00 H new ATOM 168 N LYS A 894 -8.322 3.057 11.989 1.00 0.00 N ATOM 169 CA LYS A 894 -9.703 2.635 11.709 1.00 0.00 C ATOM 170 C LYS A 894 -10.203 3.144 10.355 1.00 0.00 C ATOM 171 O LYS A 894 -11.368 2.959 10.004 1.00 0.00 O ATOM 172 CB LYS A 894 -10.633 3.107 12.832 1.00 0.00 C ATOM 173 CG LYS A 894 -10.327 2.457 14.169 1.00 0.00 C ATOM 174 CD LYS A 894 -11.119 3.084 15.302 1.00 0.00 C ATOM 175 CE LYS A 894 -10.899 2.329 16.602 1.00 0.00 C ATOM 176 NZ LYS A 894 -11.522 0.981 16.570 1.00 0.00 N ATOM 0 H LYS A 894 -7.694 2.276 12.179 1.00 0.00 H new ATOM 0 HA LYS A 894 -9.709 1.546 11.664 1.00 0.00 H new ATOM 0 HB2 LYS A 894 -10.551 4.189 12.933 1.00 0.00 H new ATOM 0 HB3 LYS A 894 -11.665 2.890 12.557 1.00 0.00 H new ATOM 0 HG2 LYS A 894 -10.554 1.392 14.114 1.00 0.00 H new ATOM 0 HG3 LYS A 894 -9.261 2.546 14.380 1.00 0.00 H new ATOM 0 HD2 LYS A 894 -10.821 4.125 15.427 1.00 0.00 H new ATOM 0 HD3 LYS A 894 -12.180 3.084 15.052 1.00 0.00 H new ATOM 0 HE2 LYS A 894 -9.830 2.231 16.789 1.00 0.00 H new ATOM 0 HE3 LYS A 894 -11.316 2.902 17.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 894 -11.576 0.601 17.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 894 -12.480 1.051 16.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 894 -10.947 0.347 15.980 1.00 0.00 H new ATOM 190 N ASN A 895 -9.305 3.784 9.609 1.00 0.00 N ATOM 191 CA ASN A 895 -9.639 4.473 8.368 1.00 0.00 C ATOM 192 C ASN A 895 -10.676 5.557 8.638 1.00 0.00 C ATOM 193 O ASN A 895 -11.408 5.977 7.745 1.00 0.00 O ATOM 194 CB ASN A 895 -10.136 3.492 7.297 1.00 0.00 C ATOM 195 CG ASN A 895 -9.038 2.565 6.809 1.00 0.00 C ATOM 196 OD1 ASN A 895 -8.267 2.911 5.913 1.00 0.00 O ATOM 197 ND2 ASN A 895 -8.964 1.376 7.388 1.00 0.00 N ATOM 0 H ASN A 895 -8.316 3.838 9.853 1.00 0.00 H new ATOM 0 HA ASN A 895 -8.733 4.941 7.982 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -10.955 2.899 7.703 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -10.537 4.052 6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -8.250 0.710 7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -9.621 1.127 8.127 1.00 0.00 H new ATOM 204 N VAL A 896 -10.719 6.013 9.886 1.00 0.00 N ATOM 205 CA VAL A 896 -11.546 7.144 10.261 1.00 0.00 C ATOM 206 C VAL A 896 -10.662 8.361 10.451 1.00 0.00 C ATOM 207 O VAL A 896 -11.086 9.498 10.252 1.00 0.00 O ATOM 208 CB VAL A 896 -12.343 6.874 11.557 1.00 0.00 C ATOM 209 CG1 VAL A 896 -13.190 8.081 11.941 1.00 0.00 C ATOM 210 CG2 VAL A 896 -13.215 5.639 11.398 1.00 0.00 C ATOM 0 H VAL A 896 -10.185 5.610 10.656 1.00 0.00 H new ATOM 0 HA VAL A 896 -12.268 7.316 9.462 1.00 0.00 H new ATOM 0 HB VAL A 896 -11.629 6.694 12.361 1.00 0.00 H new ATOM 0 HG11 VAL A 896 -13.740 7.863 12.856 1.00 0.00 H new ATOM 0 HG12 VAL A 896 -12.543 8.943 12.103 1.00 0.00 H new ATOM 0 HG13 VAL A 896 -13.894 8.302 11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 896 -13.769 5.464 12.320 1.00 0.00 H new ATOM 0 HG22 VAL A 896 -13.916 5.792 10.577 1.00 0.00 H new ATOM 0 HG23 VAL A 896 -12.586 4.775 11.183 1.00 0.00 H new ATOM 220 N GLY A 897 -9.418 8.110 10.843 1.00 0.00 N ATOM 221 CA GLY A 897 -8.482 9.196 10.984 1.00 0.00 C ATOM 222 C GLY A 897 -7.105 8.838 10.484 1.00 0.00 C ATOM 223 O GLY A 897 -6.748 7.661 10.413 1.00 0.00 O ATOM 0 H GLY A 897 -9.049 7.184 11.062 1.00 0.00 H new ATOM 0 HA2 GLY A 897 -8.850 10.063 10.436 1.00 0.00 H new ATOM 0 HA3 GLY A 897 -8.421 9.485 12.033 1.00 0.00 H new ATOM 227 N TRP A 898 -6.330 9.859 10.172 1.00 0.00 N ATOM 228 CA TRP A 898 -4.948 9.687 9.756 1.00 0.00 C ATOM 229 C TRP A 898 -4.068 10.453 10.729 1.00 0.00 C ATOM 230 O TRP A 898 -4.390 11.578 11.082 1.00 0.00 O ATOM 231 CB TRP A 898 -4.745 10.235 8.335 1.00 0.00 C ATOM 232 CG TRP A 898 -5.927 10.026 7.429 1.00 0.00 C ATOM 233 CD1 TRP A 898 -6.982 10.879 7.248 1.00 0.00 C ATOM 234 CD2 TRP A 898 -6.178 8.895 6.585 1.00 0.00 C ATOM 235 NE1 TRP A 898 -7.871 10.348 6.348 1.00 0.00 N ATOM 236 CE2 TRP A 898 -7.401 9.129 5.926 1.00 0.00 C ATOM 237 CE3 TRP A 898 -5.488 7.710 6.323 1.00 0.00 C ATOM 238 CZ2 TRP A 898 -7.945 8.219 5.024 1.00 0.00 C ATOM 239 CZ3 TRP A 898 -6.030 6.807 5.426 1.00 0.00 C ATOM 240 CH2 TRP A 898 -7.247 7.066 4.787 1.00 0.00 C ATOM 0 H TRP A 898 -6.639 10.831 10.199 1.00 0.00 H new ATOM 0 HA TRP A 898 -4.689 8.628 9.754 1.00 0.00 H new ATOM 0 HB2 TRP A 898 -4.529 11.302 8.395 1.00 0.00 H new ATOM 0 HB3 TRP A 898 -3.871 9.757 7.893 1.00 0.00 H new ATOM 0 HD1 TRP A 898 -7.098 11.832 7.742 1.00 0.00 H new ATOM 0 HE1 TRP A 898 -8.739 10.787 6.042 1.00 0.00 H new ATOM 0 HE3 TRP A 898 -4.548 7.502 6.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 898 -8.884 8.416 4.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 898 -5.505 5.887 5.216 1.00 0.00 H new ATOM 0 HH2 TRP A 898 -7.644 6.341 4.092 1.00 0.00 H new ATOM 251 N ALA A 899 -2.972 9.867 11.166 1.00 0.00 N ATOM 252 CA ALA A 899 -2.116 10.536 12.130 1.00 0.00 C ATOM 253 C ALA A 899 -0.703 10.684 11.596 1.00 0.00 C ATOM 254 O ALA A 899 -0.113 9.727 11.110 1.00 0.00 O ATOM 255 CB ALA A 899 -2.105 9.773 13.444 1.00 0.00 C ATOM 0 H ALA A 899 -2.654 8.942 10.876 1.00 0.00 H new ATOM 0 HA ALA A 899 -2.518 11.534 12.304 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -1.459 10.286 14.157 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -3.118 9.722 13.843 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -1.730 8.764 13.275 1.00 0.00 H new ATOM 261 N THR A 900 -0.178 11.890 11.680 1.00 0.00 N ATOM 262 CA THR A 900 1.201 12.158 11.316 1.00 0.00 C ATOM 263 C THR A 900 1.968 12.629 12.544 1.00 0.00 C ATOM 264 O THR A 900 1.536 13.555 13.234 1.00 0.00 O ATOM 265 CB THR A 900 1.287 13.217 10.202 1.00 0.00 C ATOM 266 OG1 THR A 900 0.415 12.846 9.125 1.00 0.00 O ATOM 267 CG2 THR A 900 2.711 13.349 9.680 1.00 0.00 C ATOM 0 H THR A 900 -0.692 12.710 12.001 1.00 0.00 H new ATOM 0 HA THR A 900 1.644 11.237 10.938 1.00 0.00 H new ATOM 0 HB THR A 900 0.983 14.179 10.616 1.00 0.00 H new ATOM 0 HG1 THR A 900 0.467 13.520 8.415 1.00 0.00 H new ATOM 0 HG21 THR A 900 2.742 14.104 8.894 1.00 0.00 H new ATOM 0 HG22 THR A 900 3.371 13.646 10.495 1.00 0.00 H new ATOM 0 HG23 THR A 900 3.041 12.392 9.277 1.00 0.00 H new ATOM 275 N GLN A 901 3.084 11.980 12.829 1.00 0.00 N ATOM 276 CA GLN A 901 3.877 12.321 13.998 1.00 0.00 C ATOM 277 C GLN A 901 4.888 13.407 13.656 1.00 0.00 C ATOM 278 O GLN A 901 5.765 13.212 12.812 1.00 0.00 O ATOM 279 CB GLN A 901 4.594 11.080 14.539 1.00 0.00 C ATOM 280 CG GLN A 901 5.355 11.333 15.830 1.00 0.00 C ATOM 281 CD GLN A 901 4.454 11.809 16.954 1.00 0.00 C ATOM 282 OE1 GLN A 901 3.276 11.464 17.013 1.00 0.00 O ATOM 283 NE2 GLN A 901 5.002 12.615 17.847 1.00 0.00 N ATOM 0 H GLN A 901 3.461 11.216 12.269 1.00 0.00 H new ATOM 0 HA GLN A 901 3.207 12.700 14.770 1.00 0.00 H new ATOM 0 HB2 GLN A 901 3.861 10.291 14.708 1.00 0.00 H new ATOM 0 HB3 GLN A 901 5.289 10.713 13.783 1.00 0.00 H new ATOM 0 HG2 GLN A 901 5.859 10.416 16.136 1.00 0.00 H new ATOM 0 HG3 GLN A 901 6.130 12.078 15.651 1.00 0.00 H new ATOM 0 HE21 GLN A 901 5.984 12.878 17.762 1.00 0.00 H new ATOM 0 HE22 GLN A 901 4.443 12.974 18.621 1.00 0.00 H new ATOM 292 N LEU A 902 4.756 14.554 14.305 1.00 0.00 N ATOM 293 CA LEU A 902 5.682 15.655 14.093 1.00 0.00 C ATOM 294 C LEU A 902 6.957 15.423 14.891 1.00 0.00 C ATOM 295 O LEU A 902 6.925 14.818 15.965 1.00 0.00 O ATOM 296 CB LEU A 902 5.053 17.000 14.486 1.00 0.00 C ATOM 297 CG LEU A 902 3.939 17.521 13.567 1.00 0.00 C ATOM 298 CD1 LEU A 902 4.360 17.448 12.107 1.00 0.00 C ATOM 299 CD2 LEU A 902 2.645 16.760 13.789 1.00 0.00 C ATOM 0 H LEU A 902 4.018 14.746 14.982 1.00 0.00 H new ATOM 0 HA LEU A 902 5.921 15.694 13.030 1.00 0.00 H new ATOM 0 HB2 LEU A 902 4.650 16.908 15.495 1.00 0.00 H new ATOM 0 HB3 LEU A 902 5.843 17.750 14.525 1.00 0.00 H new ATOM 0 HG LEU A 902 3.763 18.567 13.820 1.00 0.00 H new ATOM 0 HD11 LEU A 902 3.554 17.823 11.477 1.00 0.00 H new ATOM 0 HD12 LEU A 902 5.252 18.056 11.955 1.00 0.00 H new ATOM 0 HD13 LEU A 902 4.577 16.413 11.842 1.00 0.00 H new ATOM 0 HD21 LEU A 902 1.874 17.151 13.125 1.00 0.00 H new ATOM 0 HD22 LEU A 902 2.804 15.703 13.578 1.00 0.00 H new ATOM 0 HD23 LEU A 902 2.326 16.879 14.824 1.00 0.00 H new ATOM 311 N THR A 903 8.070 15.923 14.371 1.00 0.00 N ATOM 312 CA THR A 903 9.373 15.698 14.982 1.00 0.00 C ATOM 313 C THR A 903 9.473 16.375 16.356 1.00 0.00 C ATOM 314 O THR A 903 10.298 15.993 17.184 1.00 0.00 O ATOM 315 CB THR A 903 10.515 16.189 14.055 1.00 0.00 C ATOM 316 OG1 THR A 903 11.782 15.696 14.510 1.00 0.00 O ATOM 317 CG2 THR A 903 10.560 17.710 13.980 1.00 0.00 C ATOM 0 H THR A 903 8.096 16.490 13.523 1.00 0.00 H new ATOM 0 HA THR A 903 9.483 14.623 15.126 1.00 0.00 H new ATOM 0 HB THR A 903 10.311 15.800 13.057 1.00 0.00 H new ATOM 0 HG1 THR A 903 12.491 16.014 13.913 1.00 0.00 H new ATOM 0 HG21 THR A 903 11.372 18.018 13.322 1.00 0.00 H new ATOM 0 HG22 THR A 903 9.614 18.083 13.588 1.00 0.00 H new ATOM 0 HG23 THR A 903 10.726 18.119 14.977 1.00 0.00 H new ATOM 325 N SER A 904 8.614 17.361 16.608 1.00 0.00 N ATOM 326 CA SER A 904 8.593 18.041 17.897 1.00 0.00 C ATOM 327 C SER A 904 7.753 17.263 18.916 1.00 0.00 C ATOM 328 O SER A 904 7.609 17.682 20.067 1.00 0.00 O ATOM 329 CB SER A 904 8.051 19.467 17.745 1.00 0.00 C ATOM 330 OG SER A 904 8.058 20.150 18.989 1.00 0.00 O ATOM 0 H SER A 904 7.926 17.704 15.937 1.00 0.00 H new ATOM 0 HA SER A 904 9.618 18.092 18.265 1.00 0.00 H new ATOM 0 HB2 SER A 904 8.656 20.015 17.022 1.00 0.00 H new ATOM 0 HB3 SER A 904 7.036 19.434 17.350 1.00 0.00 H new ATOM 0 HG SER A 904 7.922 19.507 19.716 1.00 0.00 H new ATOM 336 N GLY A 905 7.209 16.129 18.494 1.00 0.00 N ATOM 337 CA GLY A 905 6.431 15.301 19.396 1.00 0.00 C ATOM 338 C GLY A 905 4.950 15.612 19.352 1.00 0.00 C ATOM 339 O GLY A 905 4.178 15.072 20.141 1.00 0.00 O ATOM 0 H GLY A 905 7.292 15.768 17.544 1.00 0.00 H new ATOM 0 HA2 GLY A 905 6.585 14.252 19.142 1.00 0.00 H new ATOM 0 HA3 GLY A 905 6.796 15.439 20.414 1.00 0.00 H new ATOM 343 N ALA A 906 4.552 16.474 18.429 1.00 0.00 N ATOM 344 CA ALA A 906 3.152 16.840 18.286 1.00 0.00 C ATOM 345 C ALA A 906 2.435 15.829 17.405 1.00 0.00 C ATOM 346 O ALA A 906 3.054 15.199 16.544 1.00 0.00 O ATOM 347 CB ALA A 906 3.033 18.238 17.700 1.00 0.00 C ATOM 0 H ALA A 906 5.179 16.933 17.768 1.00 0.00 H new ATOM 0 HA ALA A 906 2.683 16.837 19.270 1.00 0.00 H new ATOM 0 HB1 ALA A 906 1.980 18.501 17.598 1.00 0.00 H new ATOM 0 HB2 ALA A 906 3.523 18.953 18.361 1.00 0.00 H new ATOM 0 HB3 ALA A 906 3.510 18.264 16.720 1.00 0.00 H new ATOM 353 N VAL A 907 1.138 15.667 17.613 1.00 0.00 N ATOM 354 CA VAL A 907 0.373 14.717 16.824 1.00 0.00 C ATOM 355 C VAL A 907 -0.610 15.452 15.921 1.00 0.00 C ATOM 356 O VAL A 907 -1.446 16.231 16.393 1.00 0.00 O ATOM 357 CB VAL A 907 -0.392 13.715 17.718 1.00 0.00 C ATOM 358 CG1 VAL A 907 -1.114 12.673 16.875 1.00 0.00 C ATOM 359 CG2 VAL A 907 0.551 13.046 18.708 1.00 0.00 C ATOM 0 H VAL A 907 0.598 16.175 18.314 1.00 0.00 H new ATOM 0 HA VAL A 907 1.080 14.155 16.214 1.00 0.00 H new ATOM 0 HB VAL A 907 -1.141 14.271 18.282 1.00 0.00 H new ATOM 0 HG11 VAL A 907 -1.644 11.980 17.528 1.00 0.00 H new ATOM 0 HG12 VAL A 907 -1.827 13.169 16.216 1.00 0.00 H new ATOM 0 HG13 VAL A 907 -0.388 12.123 16.276 1.00 0.00 H new ATOM 0 HG21 VAL A 907 -0.009 12.345 19.327 1.00 0.00 H new ATOM 0 HG22 VAL A 907 1.328 12.509 18.164 1.00 0.00 H new ATOM 0 HG23 VAL A 907 1.010 13.804 19.343 1.00 0.00 H new ATOM 369 N TRP A 908 -0.500 15.205 14.623 1.00 0.00 N ATOM 370 CA TRP A 908 -1.365 15.838 13.647 1.00 0.00 C ATOM 371 C TRP A 908 -2.308 14.797 13.070 1.00 0.00 C ATOM 372 O TRP A 908 -1.876 13.866 12.393 1.00 0.00 O ATOM 373 CB TRP A 908 -0.511 16.467 12.543 1.00 0.00 C ATOM 374 CG TRP A 908 -1.280 17.288 11.558 1.00 0.00 C ATOM 375 CD1 TRP A 908 -2.011 18.406 11.821 1.00 0.00 C ATOM 376 CD2 TRP A 908 -1.372 17.067 10.145 1.00 0.00 C ATOM 377 NE1 TRP A 908 -2.557 18.893 10.662 1.00 0.00 N ATOM 378 CE2 TRP A 908 -2.182 18.089 9.620 1.00 0.00 C ATOM 379 CE3 TRP A 908 -0.851 16.103 9.275 1.00 0.00 C ATOM 380 CZ2 TRP A 908 -2.482 18.176 8.264 1.00 0.00 C ATOM 381 CZ3 TRP A 908 -1.150 16.190 7.929 1.00 0.00 C ATOM 382 CH2 TRP A 908 -1.960 17.220 7.435 1.00 0.00 C ATOM 0 H TRP A 908 0.186 14.565 14.223 1.00 0.00 H new ATOM 0 HA TRP A 908 -1.954 16.624 14.120 1.00 0.00 H new ATOM 0 HB2 TRP A 908 0.252 17.095 13.004 1.00 0.00 H new ATOM 0 HB3 TRP A 908 0.010 15.674 12.007 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -2.141 18.845 12.799 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -3.148 19.721 10.588 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.226 15.305 9.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 -3.105 18.970 7.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 -0.753 15.452 7.247 1.00 0.00 H new ATOM 0 HH2 TRP A 908 -2.177 17.261 6.378 1.00 0.00 H new ATOM 393 N VAL A 909 -3.590 14.942 13.348 1.00 0.00 N ATOM 394 CA VAL A 909 -4.563 13.957 12.920 1.00 0.00 C ATOM 395 C VAL A 909 -5.537 14.550 11.915 1.00 0.00 C ATOM 396 O VAL A 909 -6.105 15.614 12.137 1.00 0.00 O ATOM 397 CB VAL A 909 -5.353 13.372 14.113 1.00 0.00 C ATOM 398 CG1 VAL A 909 -6.306 12.277 13.648 1.00 0.00 C ATOM 399 CG2 VAL A 909 -4.408 12.835 15.177 1.00 0.00 C ATOM 0 H VAL A 909 -3.980 15.729 13.866 1.00 0.00 H new ATOM 0 HA VAL A 909 -4.003 13.151 12.447 1.00 0.00 H new ATOM 0 HB VAL A 909 -5.942 14.177 14.551 1.00 0.00 H new ATOM 0 HG11 VAL A 909 -6.851 11.881 14.505 1.00 0.00 H new ATOM 0 HG12 VAL A 909 -7.013 12.691 12.929 1.00 0.00 H new ATOM 0 HG13 VAL A 909 -5.737 11.475 13.177 1.00 0.00 H new ATOM 0 HG21 VAL A 909 -4.987 12.429 16.006 1.00 0.00 H new ATOM 0 HG22 VAL A 909 -3.787 12.049 14.748 1.00 0.00 H new ATOM 0 HG23 VAL A 909 -3.772 13.642 15.540 1.00 0.00 H new ATOM 409 N GLN A 910 -5.702 13.869 10.800 1.00 0.00 N ATOM 410 CA GLN A 910 -6.717 14.238 9.826 1.00 0.00 C ATOM 411 C GLN A 910 -7.946 13.358 10.015 1.00 0.00 C ATOM 412 O GLN A 910 -7.834 12.212 10.454 1.00 0.00 O ATOM 413 CB GLN A 910 -6.186 14.107 8.398 1.00 0.00 C ATOM 414 CG GLN A 910 -4.913 14.894 8.146 1.00 0.00 C ATOM 415 CD GLN A 910 -4.600 15.044 6.671 1.00 0.00 C ATOM 416 OE1 GLN A 910 -3.936 14.197 6.069 1.00 0.00 O ATOM 417 NE2 GLN A 910 -5.072 16.132 6.083 1.00 0.00 N ATOM 0 H GLN A 910 -5.146 13.054 10.542 1.00 0.00 H new ATOM 0 HA GLN A 910 -6.988 15.282 9.985 1.00 0.00 H new ATOM 0 HB2 GLN A 910 -6.000 13.054 8.184 1.00 0.00 H new ATOM 0 HB3 GLN A 910 -6.954 14.443 7.702 1.00 0.00 H new ATOM 0 HG2 GLN A 910 -5.007 15.883 8.596 1.00 0.00 H new ATOM 0 HG3 GLN A 910 -4.079 14.397 8.641 1.00 0.00 H new ATOM 0 HE21 GLN A 910 -5.617 16.806 6.620 1.00 0.00 H new ATOM 0 HE22 GLN A 910 -4.891 16.296 5.093 1.00 0.00 H new ATOM 426 N PHE A 911 -9.110 13.895 9.696 1.00 0.00 N ATOM 427 CA PHE A 911 -10.361 13.190 9.905 1.00 0.00 C ATOM 428 C PHE A 911 -10.956 12.749 8.568 1.00 0.00 C ATOM 429 O PHE A 911 -10.586 13.267 7.513 1.00 0.00 O ATOM 430 CB PHE A 911 -11.337 14.096 10.665 1.00 0.00 C ATOM 431 CG PHE A 911 -12.560 13.389 11.175 1.00 0.00 C ATOM 432 CD1 PHE A 911 -12.478 12.551 12.274 1.00 0.00 C ATOM 433 CD2 PHE A 911 -13.786 13.563 10.556 1.00 0.00 C ATOM 434 CE1 PHE A 911 -13.598 11.897 12.746 1.00 0.00 C ATOM 435 CE2 PHE A 911 -14.909 12.911 11.022 1.00 0.00 C ATOM 436 CZ PHE A 911 -14.815 12.077 12.118 1.00 0.00 C ATOM 0 H PHE A 911 -9.214 14.824 9.288 1.00 0.00 H new ATOM 0 HA PHE A 911 -10.175 12.295 10.499 1.00 0.00 H new ATOM 0 HB2 PHE A 911 -10.814 14.549 11.508 1.00 0.00 H new ATOM 0 HB3 PHE A 911 -11.648 14.909 10.009 1.00 0.00 H new ATOM 0 HD1 PHE A 911 -11.528 12.408 12.767 1.00 0.00 H new ATOM 0 HD2 PHE A 911 -13.864 14.216 9.699 1.00 0.00 H new ATOM 0 HE1 PHE A 911 -13.523 11.246 13.604 1.00 0.00 H new ATOM 0 HE2 PHE A 911 -15.860 13.053 10.530 1.00 0.00 H new ATOM 0 HZ PHE A 911 -15.693 11.565 12.484 1.00 0.00 H new ATOM 446 N ASN A 912 -11.881 11.800 8.633 1.00 0.00 N ATOM 447 CA ASN A 912 -12.526 11.230 7.448 1.00 0.00 C ATOM 448 C ASN A 912 -13.208 12.298 6.585 1.00 0.00 C ATOM 449 O ASN A 912 -13.315 12.148 5.369 1.00 0.00 O ATOM 450 CB ASN A 912 -13.567 10.200 7.897 1.00 0.00 C ATOM 451 CG ASN A 912 -14.314 9.562 6.741 1.00 0.00 C ATOM 452 OD1 ASN A 912 -13.753 9.329 5.670 1.00 0.00 O ATOM 453 ND2 ASN A 912 -15.594 9.295 6.944 1.00 0.00 N ATOM 0 H ASN A 912 -12.209 11.399 9.512 1.00 0.00 H new ATOM 0 HA ASN A 912 -11.753 10.763 6.838 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -13.071 9.420 8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -14.283 10.683 8.562 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -16.153 8.881 6.198 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -16.022 9.503 7.846 1.00 0.00 H new ATOM 460 N ASP A 913 -13.634 13.389 7.208 1.00 0.00 N ATOM 461 CA ASP A 913 -14.367 14.443 6.500 1.00 0.00 C ATOM 462 C ASP A 913 -13.406 15.408 5.800 1.00 0.00 C ATOM 463 O ASP A 913 -13.819 16.355 5.134 1.00 0.00 O ATOM 464 CB ASP A 913 -15.265 15.191 7.502 1.00 0.00 C ATOM 465 CG ASP A 913 -15.953 16.417 6.920 1.00 0.00 C ATOM 466 OD1 ASP A 913 -16.952 16.256 6.184 1.00 0.00 O ATOM 467 OD2 ASP A 913 -15.500 17.550 7.210 1.00 0.00 O ATOM 0 H ASP A 913 -13.487 13.572 8.201 1.00 0.00 H new ATOM 0 HA ASP A 913 -14.988 13.990 5.728 1.00 0.00 H new ATOM 0 HB2 ASP A 913 -16.024 14.504 7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 913 -14.662 15.497 8.357 1.00 0.00 H new ATOM 472 N GLY A 914 -12.115 15.135 5.910 1.00 0.00 N ATOM 473 CA GLY A 914 -11.125 16.036 5.353 1.00 0.00 C ATOM 474 C GLY A 914 -10.803 17.154 6.319 1.00 0.00 C ATOM 475 O GLY A 914 -10.114 18.117 5.974 1.00 0.00 O ATOM 0 H GLY A 914 -11.735 14.309 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 914 -10.216 15.482 5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 914 -11.495 16.455 4.417 1.00 0.00 H new ATOM 479 N SER A 915 -11.331 17.019 7.525 1.00 0.00 N ATOM 480 CA SER A 915 -11.082 17.958 8.605 1.00 0.00 C ATOM 481 C SER A 915 -9.785 17.588 9.312 1.00 0.00 C ATOM 482 O SER A 915 -9.264 16.491 9.113 1.00 0.00 O ATOM 483 CB SER A 915 -12.258 17.928 9.581 1.00 0.00 C ATOM 484 OG SER A 915 -13.260 17.029 9.125 1.00 0.00 O ATOM 0 H SER A 915 -11.949 16.249 7.783 1.00 0.00 H new ATOM 0 HA SER A 915 -10.983 18.968 8.206 1.00 0.00 H new ATOM 0 HB2 SER A 915 -11.911 17.625 10.569 1.00 0.00 H new ATOM 0 HB3 SER A 915 -12.678 18.928 9.684 1.00 0.00 H new ATOM 0 HG SER A 915 -13.847 17.489 8.489 1.00 0.00 H new ATOM 490 N GLN A 916 -9.251 18.489 10.117 1.00 0.00 N ATOM 491 CA GLN A 916 -7.983 18.225 10.781 1.00 0.00 C ATOM 492 C GLN A 916 -8.069 18.527 12.277 1.00 0.00 C ATOM 493 O GLN A 916 -8.863 19.364 12.704 1.00 0.00 O ATOM 494 CB GLN A 916 -6.891 19.062 10.092 1.00 0.00 C ATOM 495 CG GLN A 916 -5.955 19.806 11.032 1.00 0.00 C ATOM 496 CD GLN A 916 -5.135 20.865 10.320 1.00 0.00 C ATOM 497 OE1 GLN A 916 -4.017 21.179 10.728 1.00 0.00 O ATOM 498 NE2 GLN A 916 -5.681 21.427 9.253 1.00 0.00 N ATOM 0 H GLN A 916 -9.666 19.397 10.326 1.00 0.00 H new ATOM 0 HA GLN A 916 -7.733 17.167 10.695 1.00 0.00 H new ATOM 0 HB2 GLN A 916 -6.296 18.403 9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 916 -7.372 19.787 9.435 1.00 0.00 H new ATOM 0 HG2 GLN A 916 -6.539 20.275 11.824 1.00 0.00 H new ATOM 0 HG3 GLN A 916 -5.284 19.093 11.510 1.00 0.00 H new ATOM 0 HE21 GLN A 916 -6.610 21.141 8.945 1.00 0.00 H new ATOM 0 HE22 GLN A 916 -5.173 22.146 8.739 1.00 0.00 H new ATOM 507 N LEU A 917 -7.257 17.831 13.065 1.00 0.00 N ATOM 508 CA LEU A 917 -7.131 18.118 14.483 1.00 0.00 C ATOM 509 C LEU A 917 -5.668 18.057 14.899 1.00 0.00 C ATOM 510 O LEU A 917 -4.938 17.141 14.519 1.00 0.00 O ATOM 511 CB LEU A 917 -7.964 17.144 15.335 1.00 0.00 C ATOM 512 CG LEU A 917 -7.772 15.651 15.042 1.00 0.00 C ATOM 513 CD1 LEU A 917 -7.923 14.830 16.316 1.00 0.00 C ATOM 514 CD2 LEU A 917 -8.784 15.178 14.011 1.00 0.00 C ATOM 0 H LEU A 917 -6.674 17.060 12.740 1.00 0.00 H new ATOM 0 HA LEU A 917 -7.516 19.123 14.656 1.00 0.00 H new ATOM 0 HB2 LEU A 917 -7.728 17.320 16.385 1.00 0.00 H new ATOM 0 HB3 LEU A 917 -9.018 17.387 15.200 1.00 0.00 H new ATOM 0 HG LEU A 917 -6.766 15.511 14.647 1.00 0.00 H new ATOM 0 HD11 LEU A 917 -7.783 13.774 16.087 1.00 0.00 H new ATOM 0 HD12 LEU A 917 -7.175 15.146 17.043 1.00 0.00 H new ATOM 0 HD13 LEU A 917 -8.919 14.982 16.731 1.00 0.00 H new ATOM 0 HD21 LEU A 917 -8.634 14.116 13.814 1.00 0.00 H new ATOM 0 HD22 LEU A 917 -9.793 15.338 14.392 1.00 0.00 H new ATOM 0 HD23 LEU A 917 -8.652 15.740 13.087 1.00 0.00 H new ATOM 526 N VAL A 918 -5.244 19.043 15.671 1.00 0.00 N ATOM 527 CA VAL A 918 -3.878 19.092 16.169 1.00 0.00 C ATOM 528 C VAL A 918 -3.866 18.939 17.684 1.00 0.00 C ATOM 529 O VAL A 918 -4.546 19.689 18.391 1.00 0.00 O ATOM 530 CB VAL A 918 -3.176 20.415 15.785 1.00 0.00 C ATOM 531 CG1 VAL A 918 -1.718 20.396 16.226 1.00 0.00 C ATOM 532 CG2 VAL A 918 -3.285 20.670 14.287 1.00 0.00 C ATOM 0 H VAL A 918 -5.828 19.824 15.968 1.00 0.00 H new ATOM 0 HA VAL A 918 -3.333 18.268 15.708 1.00 0.00 H new ATOM 0 HB VAL A 918 -3.679 21.231 16.304 1.00 0.00 H new ATOM 0 HG11 VAL A 918 -1.241 21.336 15.947 1.00 0.00 H new ATOM 0 HG12 VAL A 918 -1.667 20.270 17.308 1.00 0.00 H new ATOM 0 HG13 VAL A 918 -1.202 19.568 15.740 1.00 0.00 H new ATOM 0 HG21 VAL A 918 -2.784 21.606 14.040 1.00 0.00 H new ATOM 0 HG22 VAL A 918 -2.813 19.851 13.743 1.00 0.00 H new ATOM 0 HG23 VAL A 918 -4.336 20.735 14.005 1.00 0.00 H new ATOM 542 N VAL A 919 -3.127 17.959 18.183 1.00 0.00 N ATOM 543 CA VAL A 919 -2.967 17.804 19.618 1.00 0.00 C ATOM 544 C VAL A 919 -1.496 17.942 20.006 1.00 0.00 C ATOM 545 O VAL A 919 -0.608 17.358 19.371 1.00 0.00 O ATOM 546 CB VAL A 919 -3.549 16.463 20.132 1.00 0.00 C ATOM 547 CG1 VAL A 919 -2.803 15.277 19.558 1.00 0.00 C ATOM 548 CG2 VAL A 919 -3.544 16.418 21.652 1.00 0.00 C ATOM 0 H VAL A 919 -2.634 17.266 17.620 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.536 18.601 20.098 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.582 16.401 19.790 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -3.238 14.354 19.940 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -2.879 15.291 18.471 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -1.754 15.331 19.849 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.957 15.467 21.989 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.521 16.519 22.016 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -4.150 17.236 22.042 1.00 0.00 H new ATOM 558 N GLN A 920 -1.244 18.739 21.030 1.00 0.00 N ATOM 559 CA GLN A 920 0.106 18.945 21.521 1.00 0.00 C ATOM 560 C GLN A 920 0.444 17.905 22.576 1.00 0.00 C ATOM 561 O GLN A 920 -0.413 17.515 23.371 1.00 0.00 O ATOM 562 CB GLN A 920 0.255 20.349 22.117 1.00 0.00 C ATOM 563 CG GLN A 920 0.151 21.477 21.100 1.00 0.00 C ATOM 564 CD GLN A 920 1.357 21.566 20.179 1.00 0.00 C ATOM 565 OE1 GLN A 920 1.983 20.562 19.846 1.00 0.00 O ATOM 566 NE2 GLN A 920 1.697 22.778 19.771 1.00 0.00 N ATOM 0 H GLN A 920 -1.961 19.256 21.539 1.00 0.00 H new ATOM 0 HA GLN A 920 0.794 18.844 20.682 1.00 0.00 H new ATOM 0 HB2 GLN A 920 -0.512 20.491 22.879 1.00 0.00 H new ATOM 0 HB3 GLN A 920 1.220 20.417 22.620 1.00 0.00 H new ATOM 0 HG2 GLN A 920 -0.747 21.334 20.499 1.00 0.00 H new ATOM 0 HG3 GLN A 920 0.034 22.424 21.628 1.00 0.00 H new ATOM 0 HE21 GLN A 920 1.153 23.588 20.069 1.00 0.00 H new ATOM 0 HE22 GLN A 920 2.503 22.903 19.159 1.00 0.00 H new ATOM 575 N ALA A 921 1.677 17.432 22.557 1.00 0.00 N ATOM 576 CA ALA A 921 2.155 16.532 23.593 1.00 0.00 C ATOM 577 C ALA A 921 2.081 17.212 24.957 1.00 0.00 C ATOM 578 O ALA A 921 2.550 18.339 25.123 1.00 0.00 O ATOM 579 CB ALA A 921 3.577 16.086 23.296 1.00 0.00 C ATOM 0 H ALA A 921 2.365 17.655 21.838 1.00 0.00 H new ATOM 0 HA ALA A 921 1.516 15.649 23.610 1.00 0.00 H new ATOM 0 HB1 ALA A 921 3.919 15.413 24.082 1.00 0.00 H new ATOM 0 HB2 ALA A 921 3.603 15.568 22.337 1.00 0.00 H new ATOM 0 HB3 ALA A 921 4.231 16.957 23.255 1.00 0.00 H new ATOM 585 N GLY A 922 1.476 16.538 25.922 1.00 0.00 N ATOM 586 CA GLY A 922 1.391 17.084 27.262 1.00 0.00 C ATOM 587 C GLY A 922 0.033 17.685 27.562 1.00 0.00 C ATOM 588 O GLY A 922 -0.163 18.301 28.610 1.00 0.00 O ATOM 0 H GLY A 922 1.042 15.623 25.803 1.00 0.00 H new ATOM 0 HA2 GLY A 922 1.603 16.297 27.985 1.00 0.00 H new ATOM 0 HA3 GLY A 922 2.158 17.848 27.388 1.00 0.00 H new ATOM 592 N VAL A 923 -0.910 17.519 26.646 1.00 0.00 N ATOM 593 CA VAL A 923 -2.254 18.030 26.851 1.00 0.00 C ATOM 594 C VAL A 923 -3.281 17.153 26.131 1.00 0.00 C ATOM 595 O VAL A 923 -3.030 16.650 25.035 1.00 0.00 O ATOM 596 CB VAL A 923 -2.383 19.506 26.391 1.00 0.00 C ATOM 597 CG1 VAL A 923 -2.277 19.635 24.880 1.00 0.00 C ATOM 598 CG2 VAL A 923 -3.676 20.127 26.903 1.00 0.00 C ATOM 0 H VAL A 923 -0.769 17.037 25.758 1.00 0.00 H new ATOM 0 HA VAL A 923 -2.456 17.999 27.922 1.00 0.00 H new ATOM 0 HB VAL A 923 -1.548 20.056 26.824 1.00 0.00 H new ATOM 0 HG11 VAL A 923 -2.372 20.683 24.597 1.00 0.00 H new ATOM 0 HG12 VAL A 923 -1.310 19.256 24.549 1.00 0.00 H new ATOM 0 HG13 VAL A 923 -3.073 19.058 24.409 1.00 0.00 H new ATOM 0 HG21 VAL A 923 -3.741 21.162 26.566 1.00 0.00 H new ATOM 0 HG22 VAL A 923 -4.527 19.566 26.517 1.00 0.00 H new ATOM 0 HG23 VAL A 923 -3.687 20.099 27.993 1.00 0.00 H new ATOM 608 N SER A 924 -4.422 16.947 26.777 1.00 0.00 N ATOM 609 CA SER A 924 -5.500 16.143 26.212 1.00 0.00 C ATOM 610 C SER A 924 -6.417 16.999 25.336 1.00 0.00 C ATOM 611 O SER A 924 -7.335 16.485 24.696 1.00 0.00 O ATOM 612 CB SER A 924 -6.308 15.488 27.338 1.00 0.00 C ATOM 613 OG SER A 924 -7.328 14.644 26.825 1.00 0.00 O ATOM 0 H SER A 924 -4.626 17.329 27.700 1.00 0.00 H new ATOM 0 HA SER A 924 -5.059 15.366 25.587 1.00 0.00 H new ATOM 0 HB2 SER A 924 -5.641 14.908 27.976 1.00 0.00 H new ATOM 0 HB3 SER A 924 -6.755 16.261 27.964 1.00 0.00 H new ATOM 0 HG SER A 924 -7.553 14.920 25.912 1.00 0.00 H new ATOM 619 N SER A 925 -6.167 18.300 25.326 1.00 0.00 N ATOM 620 CA SER A 925 -6.985 19.234 24.566 1.00 0.00 C ATOM 621 C SER A 925 -6.544 19.257 23.106 1.00 0.00 C ATOM 622 O SER A 925 -5.354 19.372 22.805 1.00 0.00 O ATOM 623 CB SER A 925 -6.896 20.632 25.181 1.00 0.00 C ATOM 624 OG SER A 925 -7.219 20.599 26.565 1.00 0.00 O ATOM 0 H SER A 925 -5.400 18.735 25.839 1.00 0.00 H new ATOM 0 HA SER A 925 -8.024 18.906 24.604 1.00 0.00 H new ATOM 0 HB2 SER A 925 -5.890 21.029 25.048 1.00 0.00 H new ATOM 0 HB3 SER A 925 -7.576 21.306 24.661 1.00 0.00 H new ATOM 0 HG SER A 925 -7.154 21.503 26.938 1.00 0.00 H new ATOM 630 N ILE A 926 -7.510 19.139 22.209 1.00 0.00 N ATOM 631 CA ILE A 926 -7.236 19.036 20.787 1.00 0.00 C ATOM 632 C ILE A 926 -7.895 20.188 20.038 1.00 0.00 C ATOM 633 O ILE A 926 -8.972 20.645 20.418 1.00 0.00 O ATOM 634 CB ILE A 926 -7.790 17.714 20.219 1.00 0.00 C ATOM 635 CG1 ILE A 926 -7.594 16.569 21.215 1.00 0.00 C ATOM 636 CG2 ILE A 926 -7.112 17.384 18.899 1.00 0.00 C ATOM 637 CD1 ILE A 926 -8.528 15.404 20.973 1.00 0.00 C ATOM 0 H ILE A 926 -8.502 19.112 22.446 1.00 0.00 H new ATOM 0 HA ILE A 926 -6.155 19.070 20.655 1.00 0.00 H new ATOM 0 HB ILE A 926 -8.859 17.838 20.046 1.00 0.00 H new ATOM 0 HG12 ILE A 926 -6.564 16.218 21.158 1.00 0.00 H new ATOM 0 HG13 ILE A 926 -7.747 16.945 22.226 1.00 0.00 H new ATOM 0 HG21 ILE A 926 -7.512 16.448 18.508 1.00 0.00 H new ATOM 0 HG22 ILE A 926 -7.299 18.185 18.184 1.00 0.00 H new ATOM 0 HG23 ILE A 926 -6.038 17.282 19.057 1.00 0.00 H new ATOM 0 HD11 ILE A 926 -8.338 14.626 21.712 1.00 0.00 H new ATOM 0 HD12 ILE A 926 -9.561 15.742 21.059 1.00 0.00 H new ATOM 0 HD13 ILE A 926 -8.359 15.004 19.973 1.00 0.00 H new ATOM 649 N SER A 927 -7.263 20.651 18.976 1.00 0.00 N ATOM 650 CA SER A 927 -7.847 21.694 18.159 1.00 0.00 C ATOM 651 C SER A 927 -8.382 21.080 16.876 1.00 0.00 C ATOM 652 O SER A 927 -7.617 20.549 16.071 1.00 0.00 O ATOM 653 CB SER A 927 -6.799 22.768 17.849 1.00 0.00 C ATOM 654 OG SER A 927 -7.376 23.889 17.195 1.00 0.00 O ATOM 0 H SER A 927 -6.350 20.323 18.661 1.00 0.00 H new ATOM 0 HA SER A 927 -8.668 22.167 18.698 1.00 0.00 H new ATOM 0 HB2 SER A 927 -6.324 23.091 18.775 1.00 0.00 H new ATOM 0 HB3 SER A 927 -6.016 22.343 17.221 1.00 0.00 H new ATOM 0 HG SER A 927 -6.681 24.555 17.014 1.00 0.00 H new ATOM 660 N TYR A 928 -9.694 21.139 16.693 1.00 0.00 N ATOM 661 CA TYR A 928 -10.316 20.596 15.499 1.00 0.00 C ATOM 662 C TYR A 928 -10.661 21.717 14.543 1.00 0.00 C ATOM 663 O TYR A 928 -11.357 22.661 14.906 1.00 0.00 O ATOM 664 CB TYR A 928 -11.601 19.836 15.849 1.00 0.00 C ATOM 665 CG TYR A 928 -11.381 18.442 16.390 1.00 0.00 C ATOM 666 CD1 TYR A 928 -10.793 18.232 17.629 1.00 0.00 C ATOM 667 CD2 TYR A 928 -11.770 17.331 15.651 1.00 0.00 C ATOM 668 CE1 TYR A 928 -10.599 16.954 18.119 1.00 0.00 C ATOM 669 CE2 TYR A 928 -11.581 16.051 16.134 1.00 0.00 C ATOM 670 CZ TYR A 928 -10.994 15.868 17.366 1.00 0.00 C ATOM 671 OH TYR A 928 -10.800 14.592 17.848 1.00 0.00 O ATOM 0 H TYR A 928 -10.345 21.558 17.357 1.00 0.00 H new ATOM 0 HA TYR A 928 -9.609 19.909 15.034 1.00 0.00 H new ATOM 0 HB2 TYR A 928 -12.160 20.413 16.586 1.00 0.00 H new ATOM 0 HB3 TYR A 928 -12.223 19.771 14.957 1.00 0.00 H new ATOM 0 HD1 TYR A 928 -10.482 19.081 18.220 1.00 0.00 H new ATOM 0 HD2 TYR A 928 -12.228 17.471 14.683 1.00 0.00 H new ATOM 0 HE1 TYR A 928 -10.141 16.807 19.086 1.00 0.00 H new ATOM 0 HE2 TYR A 928 -11.892 15.198 15.549 1.00 0.00 H new ATOM 0 HH TYR A 928 -10.601 14.631 18.807 1.00 0.00 H new ATOM 681 N THR A 929 -10.194 21.608 13.322 1.00 0.00 N ATOM 682 CA THR A 929 -10.535 22.580 12.317 1.00 0.00 C ATOM 683 C THR A 929 -11.362 21.938 11.205 1.00 0.00 C ATOM 684 O THR A 929 -10.971 20.922 10.608 1.00 0.00 O ATOM 685 CB THR A 929 -9.281 23.292 11.756 1.00 0.00 C ATOM 686 OG1 THR A 929 -9.670 24.392 10.930 1.00 0.00 O ATOM 687 CG2 THR A 929 -8.392 22.350 10.963 1.00 0.00 C ATOM 0 H THR A 929 -9.580 20.859 13.004 1.00 0.00 H new ATOM 0 HA THR A 929 -11.146 23.348 12.791 1.00 0.00 H new ATOM 0 HB THR A 929 -8.706 23.652 12.609 1.00 0.00 H new ATOM 0 HG1 THR A 929 -9.698 25.211 11.468 1.00 0.00 H new ATOM 0 HG21 THR A 929 -7.525 22.896 10.590 1.00 0.00 H new ATOM 0 HG22 THR A 929 -8.059 21.536 11.607 1.00 0.00 H new ATOM 0 HG23 THR A 929 -8.953 21.941 10.122 1.00 0.00 H new ATOM 695 N SER A 930 -12.535 22.503 10.981 1.00 0.00 N ATOM 696 CA SER A 930 -13.384 22.104 9.881 1.00 0.00 C ATOM 697 C SER A 930 -13.313 23.172 8.797 1.00 0.00 C ATOM 698 O SER A 930 -13.854 24.270 8.964 1.00 0.00 O ATOM 699 CB SER A 930 -14.822 21.913 10.373 1.00 0.00 C ATOM 700 OG SER A 930 -15.682 21.499 9.327 1.00 0.00 O ATOM 0 H SER A 930 -12.922 23.250 11.558 1.00 0.00 H new ATOM 0 HA SER A 930 -13.044 21.154 9.468 1.00 0.00 H new ATOM 0 HB2 SER A 930 -14.838 21.172 11.172 1.00 0.00 H new ATOM 0 HB3 SER A 930 -15.189 22.848 10.797 1.00 0.00 H new ATOM 0 HG SER A 930 -16.591 21.385 9.676 1.00 0.00 H new ATOM 706 N PRO A 931 -12.619 22.872 7.687 1.00 0.00 N ATOM 707 CA PRO A 931 -12.351 23.842 6.614 1.00 0.00 C ATOM 708 C PRO A 931 -13.620 24.475 6.055 1.00 0.00 C ATOM 709 O PRO A 931 -13.654 25.670 5.768 1.00 0.00 O ATOM 710 CB PRO A 931 -11.657 23.006 5.537 1.00 0.00 C ATOM 711 CG PRO A 931 -11.073 21.852 6.272 1.00 0.00 C ATOM 712 CD PRO A 931 -12.029 21.553 7.390 1.00 0.00 C ATOM 0 HA PRO A 931 -11.756 24.680 6.976 1.00 0.00 H new ATOM 0 HB2 PRO A 931 -12.364 22.674 4.777 1.00 0.00 H new ATOM 0 HB3 PRO A 931 -10.885 23.581 5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 931 -10.956 20.989 5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 931 -10.083 22.095 6.658 1.00 0.00 H new ATOM 0 HD2 PRO A 931 -12.788 20.830 7.089 1.00 0.00 H new ATOM 0 HD3 PRO A 931 -11.517 21.136 8.257 1.00 0.00 H new ATOM 720 N ASN A 932 -14.663 23.675 5.921 1.00 0.00 N ATOM 721 CA ASN A 932 -15.918 24.148 5.350 1.00 0.00 C ATOM 722 C ASN A 932 -16.899 24.533 6.447 1.00 0.00 C ATOM 723 O ASN A 932 -18.094 24.694 6.195 1.00 0.00 O ATOM 724 CB ASN A 932 -16.532 23.080 4.438 1.00 0.00 C ATOM 725 CG ASN A 932 -15.763 22.906 3.139 1.00 0.00 C ATOM 726 OD1 ASN A 932 -14.553 23.128 3.078 1.00 0.00 O ATOM 727 ND2 ASN A 932 -16.458 22.499 2.092 1.00 0.00 N ATOM 0 H ASN A 932 -14.669 22.694 6.199 1.00 0.00 H new ATOM 0 HA ASN A 932 -15.705 25.034 4.752 1.00 0.00 H new ATOM 0 HB2 ASN A 932 -16.561 22.128 4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 932 -17.563 23.351 4.212 1.00 0.00 H new ATOM 0 HD21 ASN A 932 -15.993 22.359 1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 932 -17.459 22.325 2.181 1.00 0.00 H new ATOM 734 N GLY A 933 -16.385 24.704 7.658 1.00 0.00 N ATOM 735 CA GLY A 933 -17.229 25.065 8.777 1.00 0.00 C ATOM 736 C GLY A 933 -16.601 26.125 9.660 1.00 0.00 C ATOM 737 O GLY A 933 -16.977 27.296 9.589 1.00 0.00 O ATOM 0 H GLY A 933 -15.396 24.599 7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 933 -18.186 25.429 8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 933 -17.436 24.176 9.373 1.00 0.00 H new ATOM 741 N GLN A 934 -15.620 25.713 10.462 1.00 0.00 N ATOM 742 CA GLN A 934 -14.981 26.584 11.452 1.00 0.00 C ATOM 743 C GLN A 934 -13.981 25.775 12.274 1.00 0.00 C ATOM 744 O GLN A 934 -13.957 24.546 12.190 1.00 0.00 O ATOM 745 CB GLN A 934 -16.014 27.213 12.396 1.00 0.00 C ATOM 746 CG GLN A 934 -16.716 26.207 13.299 1.00 0.00 C ATOM 747 CD GLN A 934 -17.659 26.866 14.284 1.00 0.00 C ATOM 748 OE1 GLN A 934 -17.266 27.226 15.395 1.00 0.00 O ATOM 749 NE2 GLN A 934 -18.911 27.024 13.892 1.00 0.00 N ATOM 0 H GLN A 934 -15.244 24.765 10.445 1.00 0.00 H new ATOM 0 HA GLN A 934 -14.472 27.385 10.916 1.00 0.00 H new ATOM 0 HB2 GLN A 934 -15.518 27.959 13.016 1.00 0.00 H new ATOM 0 HB3 GLN A 934 -16.762 27.738 11.802 1.00 0.00 H new ATOM 0 HG2 GLN A 934 -17.274 25.501 12.685 1.00 0.00 H new ATOM 0 HG3 GLN A 934 -15.969 25.632 13.846 1.00 0.00 H new ATOM 0 HE21 GLN A 934 -19.198 26.713 12.964 1.00 0.00 H new ATOM 0 HE22 GLN A 934 -19.590 27.457 14.517 1.00 0.00 H new ATOM 758 N THR A 935 -13.159 26.450 13.063 1.00 0.00 N ATOM 759 CA THR A 935 -12.218 25.760 13.930 1.00 0.00 C ATOM 760 C THR A 935 -12.699 25.793 15.383 1.00 0.00 C ATOM 761 O THR A 935 -12.964 26.857 15.936 1.00 0.00 O ATOM 762 CB THR A 935 -10.820 26.403 13.829 1.00 0.00 C ATOM 763 OG1 THR A 935 -10.428 26.478 12.449 1.00 0.00 O ATOM 764 CG2 THR A 935 -9.788 25.604 14.615 1.00 0.00 C ATOM 0 H THR A 935 -13.125 27.468 13.121 1.00 0.00 H new ATOM 0 HA THR A 935 -12.156 24.722 13.604 1.00 0.00 H new ATOM 0 HB THR A 935 -10.869 27.405 14.256 1.00 0.00 H new ATOM 0 HG1 THR A 935 -9.540 26.888 12.383 1.00 0.00 H new ATOM 0 HG21 THR A 935 -8.812 26.082 14.525 1.00 0.00 H new ATOM 0 HG22 THR A 935 -10.079 25.568 15.665 1.00 0.00 H new ATOM 0 HG23 THR A 935 -9.734 24.590 14.218 1.00 0.00 H new ATOM 772 N THR A 936 -12.823 24.620 15.987 1.00 0.00 N ATOM 773 CA THR A 936 -13.211 24.502 17.387 1.00 0.00 C ATOM 774 C THR A 936 -12.141 23.759 18.187 1.00 0.00 C ATOM 775 O THR A 936 -11.715 22.675 17.794 1.00 0.00 O ATOM 776 CB THR A 936 -14.551 23.758 17.527 1.00 0.00 C ATOM 777 OG1 THR A 936 -15.503 24.292 16.598 1.00 0.00 O ATOM 778 CG2 THR A 936 -15.102 23.881 18.943 1.00 0.00 C ATOM 0 H THR A 936 -12.659 23.726 15.524 1.00 0.00 H new ATOM 0 HA THR A 936 -13.320 25.513 17.781 1.00 0.00 H new ATOM 0 HB THR A 936 -14.377 22.703 17.313 1.00 0.00 H new ATOM 0 HG1 THR A 936 -16.353 23.814 16.690 1.00 0.00 H new ATOM 0 HG21 THR A 936 -16.049 23.346 19.013 1.00 0.00 H new ATOM 0 HG22 THR A 936 -14.390 23.453 19.649 1.00 0.00 H new ATOM 0 HG23 THR A 936 -15.261 24.933 19.181 1.00 0.00 H new ATOM 786 N ARG A 937 -11.718 24.312 19.310 1.00 0.00 N ATOM 787 CA ARG A 937 -10.788 23.596 20.175 1.00 0.00 C ATOM 788 C ARG A 937 -11.546 22.906 21.304 1.00 0.00 C ATOM 789 O ARG A 937 -12.365 23.523 21.984 1.00 0.00 O ATOM 790 CB ARG A 937 -9.701 24.521 20.747 1.00 0.00 C ATOM 791 CG ARG A 937 -10.226 25.753 21.474 1.00 0.00 C ATOM 792 CD ARG A 937 -10.376 26.940 20.537 1.00 0.00 C ATOM 793 NE ARG A 937 -9.084 27.378 20.011 1.00 0.00 N ATOM 794 CZ ARG A 937 -8.940 28.332 19.096 1.00 0.00 C ATOM 795 NH1 ARG A 937 -10.005 28.889 18.531 1.00 0.00 N ATOM 796 NH2 ARG A 937 -7.725 28.711 18.729 1.00 0.00 N ATOM 0 H ARG A 937 -11.995 25.236 19.643 1.00 0.00 H new ATOM 0 HA ARG A 937 -10.286 22.845 19.566 1.00 0.00 H new ATOM 0 HB2 ARG A 937 -9.081 23.947 21.436 1.00 0.00 H new ATOM 0 HB3 ARG A 937 -9.055 24.846 19.932 1.00 0.00 H new ATOM 0 HG2 ARG A 937 -11.190 25.524 21.928 1.00 0.00 H new ATOM 0 HG3 ARG A 937 -9.546 26.014 22.285 1.00 0.00 H new ATOM 0 HD2 ARG A 937 -11.033 26.671 19.710 1.00 0.00 H new ATOM 0 HD3 ARG A 937 -10.852 27.765 21.067 1.00 0.00 H new ATOM 0 HE ARG A 937 -8.243 26.925 20.367 1.00 0.00 H new ATOM 0 HH11 ARG A 937 -10.941 28.586 18.798 1.00 0.00 H new ATOM 0 HH12 ARG A 937 -9.887 29.620 17.830 1.00 0.00 H new ATOM 0 HH21 ARG A 937 -6.905 28.271 19.148 1.00 0.00 H new ATOM 0 HH22 ARG A 937 -7.609 29.442 18.028 1.00 0.00 H new ATOM 810 N TYR A 938 -11.286 21.621 21.481 1.00 0.00 N ATOM 811 CA TYR A 938 -11.943 20.845 22.518 1.00 0.00 C ATOM 812 C TYR A 938 -10.954 20.521 23.622 1.00 0.00 C ATOM 813 O TYR A 938 -9.877 19.988 23.365 1.00 0.00 O ATOM 814 CB TYR A 938 -12.532 19.556 21.940 1.00 0.00 C ATOM 815 CG TYR A 938 -13.746 19.775 21.066 1.00 0.00 C ATOM 816 CD1 TYR A 938 -13.617 19.988 19.698 1.00 0.00 C ATOM 817 CD2 TYR A 938 -15.022 19.763 21.612 1.00 0.00 C ATOM 818 CE1 TYR A 938 -14.730 20.184 18.901 1.00 0.00 C ATOM 819 CE2 TYR A 938 -16.137 19.955 20.823 1.00 0.00 C ATOM 820 CZ TYR A 938 -15.988 20.165 19.469 1.00 0.00 C ATOM 821 OH TYR A 938 -17.100 20.359 18.685 1.00 0.00 O ATOM 0 H TYR A 938 -10.621 21.092 20.917 1.00 0.00 H new ATOM 0 HA TYR A 938 -12.760 21.437 22.931 1.00 0.00 H new ATOM 0 HB2 TYR A 938 -11.764 19.047 21.358 1.00 0.00 H new ATOM 0 HB3 TYR A 938 -12.802 18.892 22.761 1.00 0.00 H new ATOM 0 HD1 TYR A 938 -12.634 20.001 19.252 1.00 0.00 H new ATOM 0 HD2 TYR A 938 -15.144 19.601 22.673 1.00 0.00 H new ATOM 0 HE1 TYR A 938 -14.616 20.351 17.840 1.00 0.00 H new ATOM 0 HE2 TYR A 938 -17.123 19.941 21.264 1.00 0.00 H new ATOM 0 HH TYR A 938 -17.905 20.314 19.242 1.00 0.00 H new ATOM 831 N GLY A 939 -11.328 20.838 24.846 1.00 0.00 N ATOM 832 CA GLY A 939 -10.435 20.646 25.961 1.00 0.00 C ATOM 833 C GLY A 939 -10.731 19.375 26.721 1.00 0.00 C ATOM 834 O GLY A 939 -11.763 18.740 26.509 1.00 0.00 O ATOM 0 H GLY A 939 -12.239 21.227 25.088 1.00 0.00 H new ATOM 0 HA2 GLY A 939 -9.407 20.619 25.600 1.00 0.00 H new ATOM 0 HA3 GLY A 939 -10.513 21.497 26.637 1.00 0.00 H new ATOM 838 N GLU A 940 -9.828 19.018 27.621 1.00 0.00 N ATOM 839 CA GLU A 940 -9.965 17.813 28.432 1.00 0.00 C ATOM 840 C GLU A 940 -11.171 17.900 29.364 1.00 0.00 C ATOM 841 O GLU A 940 -11.623 16.890 29.902 1.00 0.00 O ATOM 842 CB GLU A 940 -8.689 17.602 29.246 1.00 0.00 C ATOM 843 CG GLU A 940 -8.345 18.783 30.135 1.00 0.00 C ATOM 844 CD GLU A 940 -7.038 18.596 30.868 1.00 0.00 C ATOM 845 OE1 GLU A 940 -7.043 17.961 31.942 1.00 0.00 O ATOM 846 OE2 GLU A 940 -6.004 19.078 30.373 1.00 0.00 O ATOM 0 H GLU A 940 -8.980 19.553 27.811 1.00 0.00 H new ATOM 0 HA GLU A 940 -10.123 16.966 27.764 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -8.803 16.711 29.864 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -7.859 17.414 28.566 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -8.291 19.687 29.528 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -9.145 18.933 30.859 1.00 0.00 H new ATOM 853 N ASN A 941 -11.690 19.109 29.547 1.00 0.00 N ATOM 854 CA ASN A 941 -12.810 19.331 30.452 1.00 0.00 C ATOM 855 C ASN A 941 -14.140 19.295 29.705 1.00 0.00 C ATOM 856 O ASN A 941 -15.200 19.486 30.305 1.00 0.00 O ATOM 857 CB ASN A 941 -12.656 20.673 31.176 1.00 0.00 C ATOM 858 CG ASN A 941 -11.510 20.685 32.174 1.00 0.00 C ATOM 859 OD1 ASN A 941 -11.268 19.555 32.820 1.00 0.00 O flip ATOM 860 ND2 ASN A 941 -10.864 21.712 32.379 1.00 0.00 N flip ATOM 0 H ASN A 941 -11.352 19.951 29.080 1.00 0.00 H new ATOM 0 HA ASN A 941 -12.807 18.526 31.187 1.00 0.00 H new ATOM 0 HB2 ASN A 941 -12.496 21.460 30.439 1.00 0.00 H new ATOM 0 HB3 ASN A 941 -13.585 20.907 31.696 1.00 0.00 H new ATOM 0 HD21 ASN A 941 -11.081 22.563 31.861 1.00 0.00 H new ATOM 0 HD22 ASN A 941 -10.111 21.712 33.067 1.00 0.00 H new ATOM 867 N GLU A 942 -14.087 19.044 28.405 1.00 0.00 N ATOM 868 CA GLU A 942 -15.299 18.944 27.603 1.00 0.00 C ATOM 869 C GLU A 942 -15.657 17.488 27.350 1.00 0.00 C ATOM 870 O GLU A 942 -14.780 16.635 27.235 1.00 0.00 O ATOM 871 CB GLU A 942 -15.142 19.666 26.260 1.00 0.00 C ATOM 872 CG GLU A 942 -15.389 21.167 26.311 1.00 0.00 C ATOM 873 CD GLU A 942 -14.271 21.941 26.974 1.00 0.00 C ATOM 874 OE1 GLU A 942 -13.256 22.212 26.302 1.00 0.00 O ATOM 875 OE2 GLU A 942 -14.418 22.316 28.154 1.00 0.00 O ATOM 0 H GLU A 942 -13.221 18.906 27.884 1.00 0.00 H new ATOM 0 HA GLU A 942 -16.100 19.423 28.167 1.00 0.00 H new ATOM 0 HB2 GLU A 942 -14.134 19.490 25.884 1.00 0.00 H new ATOM 0 HB3 GLU A 942 -15.832 19.222 25.542 1.00 0.00 H new ATOM 0 HG2 GLU A 942 -15.525 21.539 25.296 1.00 0.00 H new ATOM 0 HG3 GLU A 942 -16.319 21.356 26.847 1.00 0.00 H new ATOM 882 N LYS A 943 -16.949 17.210 27.281 1.00 0.00 N ATOM 883 CA LYS A 943 -17.429 15.886 26.919 1.00 0.00 C ATOM 884 C LYS A 943 -17.516 15.785 25.401 1.00 0.00 C ATOM 885 O LYS A 943 -18.184 16.596 24.757 1.00 0.00 O ATOM 886 CB LYS A 943 -18.801 15.630 27.559 1.00 0.00 C ATOM 887 CG LYS A 943 -19.459 14.327 27.128 1.00 0.00 C ATOM 888 CD LYS A 943 -18.596 13.123 27.467 1.00 0.00 C ATOM 889 CE LYS A 943 -19.267 11.823 27.054 1.00 0.00 C ATOM 890 NZ LYS A 943 -19.605 11.805 25.606 1.00 0.00 N ATOM 0 H LYS A 943 -17.687 17.887 27.472 1.00 0.00 H new ATOM 0 HA LYS A 943 -16.736 15.130 27.288 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -18.688 15.625 28.643 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -19.465 16.458 27.311 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -20.428 14.229 27.617 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -19.645 14.351 26.054 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -17.632 13.212 26.965 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -18.397 13.107 28.539 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -18.607 10.986 27.282 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -20.175 11.682 27.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -19.705 10.821 25.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -20.500 12.312 25.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -18.847 12.270 25.067 1.00 0.00 H new ATOM 904 N LEU A 944 -16.835 14.806 24.827 1.00 0.00 N ATOM 905 CA LEU A 944 -16.801 14.672 23.382 1.00 0.00 C ATOM 906 C LEU A 944 -17.926 13.759 22.906 1.00 0.00 C ATOM 907 O LEU A 944 -18.142 12.687 23.471 1.00 0.00 O ATOM 908 CB LEU A 944 -15.441 14.145 22.909 1.00 0.00 C ATOM 909 CG LEU A 944 -14.237 15.066 23.169 1.00 0.00 C ATOM 910 CD1 LEU A 944 -14.603 16.518 22.903 1.00 0.00 C ATOM 911 CD2 LEU A 944 -13.701 14.895 24.582 1.00 0.00 C ATOM 0 H LEU A 944 -16.303 14.099 25.335 1.00 0.00 H new ATOM 0 HA LEU A 944 -16.947 15.660 22.946 1.00 0.00 H new ATOM 0 HB2 LEU A 944 -15.254 13.188 23.397 1.00 0.00 H new ATOM 0 HB3 LEU A 944 -15.501 13.951 21.838 1.00 0.00 H new ATOM 0 HG LEU A 944 -13.445 14.778 22.478 1.00 0.00 H new ATOM 0 HD11 LEU A 944 -13.737 17.152 23.093 1.00 0.00 H new ATOM 0 HD12 LEU A 944 -14.914 16.630 21.864 1.00 0.00 H new ATOM 0 HD13 LEU A 944 -15.420 16.814 23.561 1.00 0.00 H new ATOM 0 HD21 LEU A 944 -12.851 15.561 24.732 1.00 0.00 H new ATOM 0 HD22 LEU A 944 -14.484 15.139 25.300 1.00 0.00 H new ATOM 0 HD23 LEU A 944 -13.384 13.863 24.728 1.00 0.00 H new ATOM 923 N PRO A 945 -18.655 14.184 21.857 1.00 0.00 N ATOM 924 CA PRO A 945 -19.822 13.454 21.336 1.00 0.00 C ATOM 925 C PRO A 945 -19.511 12.008 20.957 1.00 0.00 C ATOM 926 O PRO A 945 -19.931 11.076 21.646 1.00 0.00 O ATOM 927 CB PRO A 945 -20.228 14.260 20.098 1.00 0.00 C ATOM 928 CG PRO A 945 -19.689 15.626 20.341 1.00 0.00 C ATOM 929 CD PRO A 945 -18.414 15.433 21.113 1.00 0.00 C ATOM 0 HA PRO A 945 -20.606 13.374 22.089 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -19.811 13.826 19.189 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -21.311 14.278 19.975 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -19.502 16.145 19.401 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -20.399 16.232 20.904 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -17.552 15.347 20.451 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -18.219 16.270 21.784 1.00 0.00 H new ATOM 937 N ASP A 946 -18.768 11.814 19.873 1.00 0.00 N ATOM 938 CA ASP A 946 -18.453 10.466 19.413 1.00 0.00 C ATOM 939 C ASP A 946 -17.079 10.399 18.761 1.00 0.00 C ATOM 940 O ASP A 946 -16.119 9.930 19.374 1.00 0.00 O ATOM 941 CB ASP A 946 -19.518 9.957 18.438 1.00 0.00 C ATOM 942 CG ASP A 946 -19.205 8.562 17.928 1.00 0.00 C ATOM 943 OD1 ASP A 946 -19.577 7.579 18.601 1.00 0.00 O ATOM 944 OD2 ASP A 946 -18.582 8.445 16.859 1.00 0.00 O ATOM 0 H ASP A 946 -18.376 12.563 19.302 1.00 0.00 H new ATOM 0 HA ASP A 946 -18.442 9.823 20.293 1.00 0.00 H new ATOM 0 HB2 ASP A 946 -20.489 9.952 18.933 1.00 0.00 H new ATOM 0 HB3 ASP A 946 -19.594 10.643 17.594 1.00 0.00 H new ATOM 949 N TYR A 947 -16.982 10.900 17.531 1.00 0.00 N ATOM 950 CA TYR A 947 -15.764 10.762 16.732 1.00 0.00 C ATOM 951 C TYR A 947 -14.592 11.526 17.336 1.00 0.00 C ATOM 952 O TYR A 947 -13.442 11.112 17.204 1.00 0.00 O ATOM 953 CB TYR A 947 -16.014 11.232 15.298 1.00 0.00 C ATOM 954 CG TYR A 947 -17.029 10.391 14.557 1.00 0.00 C ATOM 955 CD1 TYR A 947 -16.737 9.082 14.191 1.00 0.00 C ATOM 956 CD2 TYR A 947 -18.276 10.903 14.224 1.00 0.00 C ATOM 957 CE1 TYR A 947 -17.661 8.306 13.516 1.00 0.00 C ATOM 958 CE2 TYR A 947 -19.204 10.133 13.549 1.00 0.00 C ATOM 959 CZ TYR A 947 -18.892 8.837 13.198 1.00 0.00 C ATOM 960 OH TYR A 947 -19.814 8.068 12.526 1.00 0.00 O ATOM 0 H TYR A 947 -17.734 11.407 17.064 1.00 0.00 H new ATOM 0 HA TYR A 947 -15.499 9.705 16.726 1.00 0.00 H new ATOM 0 HB2 TYR A 947 -16.356 12.267 15.317 1.00 0.00 H new ATOM 0 HB3 TYR A 947 -15.072 11.218 14.750 1.00 0.00 H new ATOM 0 HD1 TYR A 947 -15.772 8.664 14.438 1.00 0.00 H new ATOM 0 HD2 TYR A 947 -18.524 11.918 14.497 1.00 0.00 H new ATOM 0 HE1 TYR A 947 -17.419 7.290 13.240 1.00 0.00 H new ATOM 0 HE2 TYR A 947 -20.170 10.545 13.297 1.00 0.00 H new ATOM 0 HH TYR A 947 -20.630 8.590 12.379 1.00 0.00 H new ATOM 970 N ILE A 948 -14.884 12.624 18.020 1.00 0.00 N ATOM 971 CA ILE A 948 -13.843 13.405 18.667 1.00 0.00 C ATOM 972 C ILE A 948 -13.252 12.592 19.815 1.00 0.00 C ATOM 973 O ILE A 948 -12.033 12.519 19.993 1.00 0.00 O ATOM 974 CB ILE A 948 -14.374 14.762 19.203 1.00 0.00 C ATOM 975 CG1 ILE A 948 -14.970 15.622 18.076 1.00 0.00 C ATOM 976 CG2 ILE A 948 -13.260 15.522 19.903 1.00 0.00 C ATOM 977 CD1 ILE A 948 -16.367 15.211 17.650 1.00 0.00 C ATOM 0 H ILE A 948 -15.828 12.991 18.140 1.00 0.00 H new ATOM 0 HA ILE A 948 -13.078 13.629 17.923 1.00 0.00 H new ATOM 0 HB ILE A 948 -15.169 14.548 19.917 1.00 0.00 H new ATOM 0 HG12 ILE A 948 -14.993 16.662 18.402 1.00 0.00 H new ATOM 0 HG13 ILE A 948 -14.310 15.574 17.210 1.00 0.00 H new ATOM 0 HG21 ILE A 948 -13.645 16.472 20.274 1.00 0.00 H new ATOM 0 HG22 ILE A 948 -12.885 14.931 20.739 1.00 0.00 H new ATOM 0 HG23 ILE A 948 -12.449 15.710 19.199 1.00 0.00 H new ATOM 0 HD11 ILE A 948 -16.712 15.868 16.852 1.00 0.00 H new ATOM 0 HD12 ILE A 948 -16.350 14.182 17.291 1.00 0.00 H new ATOM 0 HD13 ILE A 948 -17.044 15.287 18.501 1.00 0.00 H new ATOM 989 N LYS A 949 -14.141 11.944 20.558 1.00 0.00 N ATOM 990 CA LYS A 949 -13.745 11.050 21.633 1.00 0.00 C ATOM 991 C LYS A 949 -12.963 9.880 21.066 1.00 0.00 C ATOM 992 O LYS A 949 -11.940 9.487 21.607 1.00 0.00 O ATOM 993 CB LYS A 949 -14.976 10.508 22.366 1.00 0.00 C ATOM 994 CG LYS A 949 -14.630 9.583 23.525 1.00 0.00 C ATOM 995 CD LYS A 949 -15.786 8.658 23.900 1.00 0.00 C ATOM 996 CE LYS A 949 -15.809 7.385 23.053 1.00 0.00 C ATOM 997 NZ LYS A 949 -16.260 7.623 21.653 1.00 0.00 N ATOM 0 H LYS A 949 -15.150 12.024 20.432 1.00 0.00 H new ATOM 0 HA LYS A 949 -13.127 11.612 22.333 1.00 0.00 H new ATOM 0 HB2 LYS A 949 -15.564 11.345 22.742 1.00 0.00 H new ATOM 0 HB3 LYS A 949 -15.605 9.970 21.657 1.00 0.00 H new ATOM 0 HG2 LYS A 949 -13.760 8.983 23.259 1.00 0.00 H new ATOM 0 HG3 LYS A 949 -14.351 10.181 24.393 1.00 0.00 H new ATOM 0 HD2 LYS A 949 -15.706 8.389 24.953 1.00 0.00 H new ATOM 0 HD3 LYS A 949 -16.729 9.191 23.777 1.00 0.00 H new ATOM 0 HE2 LYS A 949 -14.811 6.948 23.037 1.00 0.00 H new ATOM 0 HE3 LYS A 949 -16.469 6.655 23.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 949 -16.626 6.737 21.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 949 -17.012 8.342 21.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 949 -15.458 7.957 21.082 1.00 0.00 H new ATOM 1011 N GLN A 950 -13.466 9.336 19.966 1.00 0.00 N ATOM 1012 CA GLN A 950 -12.887 8.151 19.358 1.00 0.00 C ATOM 1013 C GLN A 950 -11.459 8.418 18.903 1.00 0.00 C ATOM 1014 O GLN A 950 -10.569 7.591 19.098 1.00 0.00 O ATOM 1015 CB GLN A 950 -13.747 7.687 18.181 1.00 0.00 C ATOM 1016 CG GLN A 950 -13.582 6.211 17.869 1.00 0.00 C ATOM 1017 CD GLN A 950 -13.895 5.336 19.070 1.00 0.00 C ATOM 1018 OE1 GLN A 950 -14.717 5.693 19.920 1.00 0.00 O ATOM 1019 NE2 GLN A 950 -13.236 4.193 19.155 1.00 0.00 N ATOM 0 H GLN A 950 -14.281 9.702 19.475 1.00 0.00 H new ATOM 0 HA GLN A 950 -12.861 7.359 20.106 1.00 0.00 H new ATOM 0 HB2 GLN A 950 -14.795 7.891 18.402 1.00 0.00 H new ATOM 0 HB3 GLN A 950 -13.488 8.270 17.297 1.00 0.00 H new ATOM 0 HG2 GLN A 950 -14.239 5.940 17.042 1.00 0.00 H new ATOM 0 HG3 GLN A 950 -12.560 6.022 17.540 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -12.565 3.936 18.431 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -13.398 3.568 19.945 1.00 0.00 H new ATOM 1028 N LYS A 951 -11.246 9.581 18.300 1.00 0.00 N ATOM 1029 CA LYS A 951 -9.924 9.955 17.831 1.00 0.00 C ATOM 1030 C LYS A 951 -9.004 10.204 19.008 1.00 0.00 C ATOM 1031 O LYS A 951 -7.840 9.803 19.001 1.00 0.00 O ATOM 1032 CB LYS A 951 -9.986 11.177 16.909 1.00 0.00 C ATOM 1033 CG LYS A 951 -10.644 10.881 15.568 1.00 0.00 C ATOM 1034 CD LYS A 951 -10.026 9.653 14.909 1.00 0.00 C ATOM 1035 CE LYS A 951 -8.537 9.839 14.668 1.00 0.00 C ATOM 1036 NZ LYS A 951 -7.863 8.556 14.331 1.00 0.00 N ATOM 0 H LYS A 951 -11.971 10.277 18.126 1.00 0.00 H new ATOM 0 HA LYS A 951 -9.521 9.128 17.246 1.00 0.00 H new ATOM 0 HB2 LYS A 951 -10.536 11.974 17.409 1.00 0.00 H new ATOM 0 HB3 LYS A 951 -8.975 11.547 16.737 1.00 0.00 H new ATOM 0 HG2 LYS A 951 -11.712 10.721 15.712 1.00 0.00 H new ATOM 0 HG3 LYS A 951 -10.537 11.743 14.909 1.00 0.00 H new ATOM 0 HD2 LYS A 951 -10.187 8.780 15.541 1.00 0.00 H new ATOM 0 HD3 LYS A 951 -10.527 9.457 13.961 1.00 0.00 H new ATOM 0 HE2 LYS A 951 -8.387 10.551 13.857 1.00 0.00 H new ATOM 0 HE3 LYS A 951 -8.076 10.268 15.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 951 -6.945 8.753 13.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 951 -7.714 8.004 15.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 951 -8.459 8.013 13.674 1.00 0.00 H new ATOM 1050 N LEU A 952 -9.545 10.849 20.022 1.00 0.00 N ATOM 1051 CA LEU A 952 -8.823 11.082 21.257 1.00 0.00 C ATOM 1052 C LEU A 952 -8.458 9.759 21.932 1.00 0.00 C ATOM 1053 O LEU A 952 -7.357 9.596 22.459 1.00 0.00 O ATOM 1054 CB LEU A 952 -9.719 11.917 22.168 1.00 0.00 C ATOM 1055 CG LEU A 952 -9.212 12.158 23.581 1.00 0.00 C ATOM 1056 CD1 LEU A 952 -7.937 12.984 23.558 1.00 0.00 C ATOM 1057 CD2 LEU A 952 -10.296 12.845 24.388 1.00 0.00 C ATOM 0 H LEU A 952 -10.493 11.225 20.014 1.00 0.00 H new ATOM 0 HA LEU A 952 -7.891 11.609 21.052 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -9.881 12.885 21.694 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -10.691 11.428 22.233 1.00 0.00 H new ATOM 0 HG LEU A 952 -8.974 11.204 24.050 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -7.590 13.146 24.578 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -7.170 12.454 22.994 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -8.135 13.946 23.085 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -9.938 13.021 25.403 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -10.548 13.798 23.922 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -11.182 12.211 24.420 1.00 0.00 H new ATOM 1069 N GLN A 953 -9.385 8.812 21.886 1.00 0.00 N ATOM 1070 CA GLN A 953 -9.206 7.510 22.517 1.00 0.00 C ATOM 1071 C GLN A 953 -8.217 6.624 21.755 1.00 0.00 C ATOM 1072 O GLN A 953 -7.471 5.855 22.362 1.00 0.00 O ATOM 1073 CB GLN A 953 -10.563 6.816 22.642 1.00 0.00 C ATOM 1074 CG GLN A 953 -10.522 5.512 23.417 1.00 0.00 C ATOM 1075 CD GLN A 953 -11.905 4.969 23.716 1.00 0.00 C ATOM 1076 OE1 GLN A 953 -12.856 5.193 22.963 1.00 0.00 O ATOM 1077 NE2 GLN A 953 -12.028 4.244 24.815 1.00 0.00 N ATOM 0 H GLN A 953 -10.281 8.923 21.411 1.00 0.00 H new ATOM 0 HA GLN A 953 -8.781 7.673 23.507 1.00 0.00 H new ATOM 0 HB2 GLN A 953 -11.263 7.495 23.130 1.00 0.00 H new ATOM 0 HB3 GLN A 953 -10.953 6.621 21.643 1.00 0.00 H new ATOM 0 HG2 GLN A 953 -9.960 4.772 22.847 1.00 0.00 H new ATOM 0 HG3 GLN A 953 -9.986 5.667 24.353 1.00 0.00 H new ATOM 0 HE21 GLN A 953 -11.217 4.081 25.412 1.00 0.00 H new ATOM 0 HE22 GLN A 953 -12.934 3.847 25.066 1.00 0.00 H new ATOM 1086 N CYS A 954 -8.208 6.717 20.430 1.00 0.00 N ATOM 1087 CA CYS A 954 -7.304 5.894 19.630 1.00 0.00 C ATOM 1088 C CYS A 954 -5.859 6.362 19.781 1.00 0.00 C ATOM 1089 O CYS A 954 -4.919 5.605 19.534 1.00 0.00 O ATOM 1090 CB CYS A 954 -7.720 5.870 18.153 1.00 0.00 C ATOM 1091 SG CYS A 954 -7.630 7.466 17.306 1.00 0.00 S ATOM 0 H CYS A 954 -8.806 7.344 19.892 1.00 0.00 H new ATOM 0 HA CYS A 954 -7.372 4.874 20.007 1.00 0.00 H new ATOM 0 HB2 CYS A 954 -7.085 5.159 17.624 1.00 0.00 H new ATOM 0 HB3 CYS A 954 -8.742 5.497 18.085 1.00 0.00 H new ATOM 0 HG CYS A 954 -7.376 8.403 18.171 1.00 0.00 H new ATOM 1097 N LEU A 955 -5.686 7.609 20.210 1.00 0.00 N ATOM 1098 CA LEU A 955 -4.357 8.182 20.396 1.00 0.00 C ATOM 1099 C LEU A 955 -3.651 7.554 21.596 1.00 0.00 C ATOM 1100 O LEU A 955 -2.430 7.653 21.728 1.00 0.00 O ATOM 1101 CB LEU A 955 -4.448 9.702 20.561 1.00 0.00 C ATOM 1102 CG LEU A 955 -4.091 10.524 19.314 1.00 0.00 C ATOM 1103 CD1 LEU A 955 -4.889 10.061 18.100 1.00 0.00 C ATOM 1104 CD2 LEU A 955 -4.331 12.004 19.571 1.00 0.00 C ATOM 0 H LEU A 955 -6.452 8.243 20.436 1.00 0.00 H new ATOM 0 HA LEU A 955 -3.767 7.963 19.506 1.00 0.00 H new ATOM 0 HB2 LEU A 955 -5.463 9.957 20.865 1.00 0.00 H new ATOM 0 HB3 LEU A 955 -3.787 10.002 21.374 1.00 0.00 H new ATOM 0 HG LEU A 955 -3.034 10.369 19.100 1.00 0.00 H new ATOM 0 HD11 LEU A 955 -4.614 10.662 17.233 1.00 0.00 H new ATOM 0 HD12 LEU A 955 -4.670 9.012 17.899 1.00 0.00 H new ATOM 0 HD13 LEU A 955 -5.954 10.177 18.299 1.00 0.00 H new ATOM 0 HD21 LEU A 955 -4.074 12.575 18.679 1.00 0.00 H new ATOM 0 HD22 LEU A 955 -5.381 12.165 19.815 1.00 0.00 H new ATOM 0 HD23 LEU A 955 -3.710 12.334 20.404 1.00 0.00 H new