USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1035 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 944 GLN : amide:sc= -0.342 X(o=-0.37,f=-0.028) USER MOD Set 1.2: A1014 GLN : amide:sc= -0.0264 K(o=-0.37,f=-2.8!) USER MOD Set 2.1: A 922 ASN : amide:sc= -2.55 K(o=-2.6,f=-6.1!) USER MOD Set 2.2: A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 924 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 928 ASN : amide:sc= -5.42! C(o=-5.4!,f=-9.6!) USER MOD Single : A 930 THR OG1 : rot -105:sc= -0.312 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl -159:sc= -0.1 (180deg=-0.827) USER MOD Single : A 940 SER OG : rot -68:sc= 1.13 USER MOD Single : A 941 SER OG : rot 180:sc= 0 USER MOD Single : A 942 LYS NZ :NH3+ -167:sc= 0.844 (180deg=0.799) USER MOD Single : A 951 TYR OH : rot 180:sc= -0.119 USER MOD Single : A 954 MET CE :methyl -120:sc= -1.38 (180deg=-3.92!) USER MOD Single : A 956 LYS NZ :NH3+ -121:sc= -0.657 (180deg=-2.34!) USER MOD Single : A 964 THR OG1 : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot -21:sc= -1.29 USER MOD Single : A 972 SER OG : rot -100:sc= -0.0693 USER MOD Single : A 979 SER OG : rot 180:sc= 0 USER MOD Single : A 980 THR OG1 : rot -152:sc= 0.955 USER MOD Single : A 981 HIS : no HD1:sc= -0.759 K(o=-0.76,f=-1.3) USER MOD Single : A 986 MET CE :methyl -112:sc= -0.759 (180deg=-3.85!) USER MOD Single : A 988 GLN : amide:sc= -1.76! C(o=-1.8!,f=-5.6!) USER MOD Single : A 989 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00368) USER MOD Single : A 992 ASN : amide:sc= -0.0475 K(o=-0.048,f=-0.59) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.067) USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1002 MET CE :methyl -118:sc= 0 (180deg=-2.04!) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN : amide:sc= 0.0833 K(o=0.083,f=-0.71) USER MOD Single : A1007 GLN : amide:sc=-0.00421 X(o=-0.0042,f=0) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 135:sc= -0.403 (180deg=-2.89!) USER MOD Single : A1011 THR OG1 : rot 180:sc= 0.284! USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1015 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.1!) USER MOD Single : A1017 TYR OH : rot 63:sc= 0.513 USER MOD Single : A1018 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.5!) USER MOD Single : A1021 MET CE :methyl 143:sc= -1.07! (180deg=-2.87!) USER MOD Single : A1023 THR OG1 : rot 97:sc= 1.19 USER MOD Single : A1026 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.067) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.7!) USER MOD Single : A1041 GLN : amide:sc= -1.99! C(o=-2!,f=-1.9!) USER MOD Single : A1045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1046 MET CE :methyl 164:sc= -0.563 (180deg=-1.77!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 5.657 -10.417 -5.713 1.00 0.00 N ATOM 108 CA ASN A 922 5.358 -9.714 -4.477 1.00 0.00 C ATOM 109 C ASN A 922 6.343 -8.556 -4.304 1.00 0.00 C ATOM 110 O ASN A 922 6.140 -7.685 -3.460 1.00 0.00 O ATOM 111 CB ASN A 922 5.500 -10.641 -3.268 1.00 0.00 C ATOM 112 CG ASN A 922 4.279 -10.539 -2.352 1.00 0.00 C ATOM 113 OD1 ASN A 922 3.388 -9.729 -2.551 1.00 0.00 O ATOM 114 ND2 ASN A 922 4.288 -11.402 -1.340 1.00 0.00 N ATOM 0 HA ASN A 922 4.332 -9.351 -4.534 1.00 0.00 H new ATOM 0 HB2 ASN A 922 5.620 -11.670 -3.607 1.00 0.00 H new ATOM 0 HB3 ASN A 922 6.400 -10.382 -2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 922 3.517 -11.413 -0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 922 5.066 -12.053 -1.232 1.00 0.00 H new ATOM 121 N ASP A 923 7.389 -8.585 -5.116 1.00 0.00 N ATOM 122 CA ASP A 923 8.406 -7.548 -5.064 1.00 0.00 C ATOM 123 C ASP A 923 7.866 -6.275 -5.717 1.00 0.00 C ATOM 124 O ASP A 923 8.020 -5.181 -5.176 1.00 0.00 O ATOM 125 CB ASP A 923 9.665 -7.972 -5.824 1.00 0.00 C ATOM 126 CG ASP A 923 10.931 -7.191 -5.465 1.00 0.00 C ATOM 127 OD1 ASP A 923 10.778 -6.018 -5.060 1.00 0.00 O ATOM 128 OD2 ASP A 923 12.022 -7.784 -5.604 1.00 0.00 O ATOM 0 H ASP A 923 7.555 -9.310 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 923 8.657 -7.376 -4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 923 9.844 -9.031 -5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 923 9.480 -7.863 -6.893 1.00 0.00 H new ATOM 133 N LYS A 924 7.243 -6.460 -6.872 1.00 0.00 N ATOM 134 CA LYS A 924 6.678 -5.340 -7.606 1.00 0.00 C ATOM 135 C LYS A 924 5.621 -4.651 -6.741 1.00 0.00 C ATOM 136 O LYS A 924 5.678 -3.440 -6.531 1.00 0.00 O ATOM 137 CB LYS A 924 6.155 -5.800 -8.968 1.00 0.00 C ATOM 138 CG LYS A 924 6.489 -4.779 -10.057 1.00 0.00 C ATOM 139 CD LYS A 924 5.243 -3.992 -10.471 1.00 0.00 C ATOM 140 CE LYS A 924 5.166 -3.850 -11.993 1.00 0.00 C ATOM 141 NZ LYS A 924 4.878 -2.447 -12.368 1.00 0.00 N ATOM 0 H LYS A 924 7.117 -7.369 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 924 7.447 -4.598 -7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 924 6.593 -6.765 -9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 924 5.076 -5.943 -8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 924 7.254 -4.092 -9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 924 6.906 -5.290 -10.925 1.00 0.00 H new ATOM 0 HD2 LYS A 924 4.350 -4.498 -10.104 1.00 0.00 H new ATOM 0 HD3 LYS A 924 5.262 -3.004 -10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 924 6.107 -4.167 -12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 924 4.389 -4.505 -12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 4.829 -2.368 -13.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 3.969 -2.157 -11.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 5.634 -1.830 -12.009 1.00 0.00 H new ATOM 155 N VAL A 925 4.679 -5.452 -6.264 1.00 0.00 N ATOM 156 CA VAL A 925 3.610 -4.935 -5.427 1.00 0.00 C ATOM 157 C VAL A 925 4.215 -4.230 -4.211 1.00 0.00 C ATOM 158 O VAL A 925 3.815 -3.117 -3.871 1.00 0.00 O ATOM 159 CB VAL A 925 2.650 -6.064 -5.046 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.373 -5.508 -4.414 1.00 0.00 C ATOM 161 CG2 VAL A 925 2.326 -6.939 -6.258 1.00 0.00 C ATOM 0 H VAL A 925 4.634 -6.455 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 925 3.022 -4.197 -5.972 1.00 0.00 H new ATOM 0 HB VAL A 925 3.146 -6.690 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 925 0.708 -6.331 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 925 1.627 -4.947 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 925 0.873 -4.849 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 925 1.642 -7.734 -5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 925 1.860 -6.330 -7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 925 3.245 -7.378 -6.646 1.00 0.00 H new ATOM 171 N TYR A 926 5.170 -4.906 -3.590 1.00 0.00 N ATOM 172 CA TYR A 926 5.835 -4.358 -2.419 1.00 0.00 C ATOM 173 C TYR A 926 6.625 -3.098 -2.777 1.00 0.00 C ATOM 174 O TYR A 926 6.807 -2.216 -1.939 1.00 0.00 O ATOM 175 CB TYR A 926 6.808 -5.438 -1.943 1.00 0.00 C ATOM 176 CG TYR A 926 6.159 -6.527 -1.086 1.00 0.00 C ATOM 177 CD1 TYR A 926 4.875 -6.950 -1.365 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.857 -7.086 -0.035 1.00 0.00 C ATOM 179 CE1 TYR A 926 4.264 -7.975 -0.559 1.00 0.00 C ATOM 180 CE2 TYR A 926 6.246 -8.111 0.771 1.00 0.00 C ATOM 181 CZ TYR A 926 4.980 -8.505 0.469 1.00 0.00 C ATOM 182 OH TYR A 926 4.403 -9.473 1.231 1.00 0.00 O ATOM 0 H TYR A 926 5.500 -5.828 -3.875 1.00 0.00 H new ATOM 0 HA TYR A 926 5.106 -4.086 -1.655 1.00 0.00 H new ATOM 0 HB2 TYR A 926 7.272 -5.903 -2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.606 -4.966 -1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 926 4.329 -6.512 -2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.862 -6.755 0.183 1.00 0.00 H new ATOM 0 HE1 TYR A 926 3.260 -8.315 -0.766 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.781 -8.557 1.597 1.00 0.00 H new ATOM 0 HH TYR A 926 5.031 -9.759 1.927 1.00 0.00 H new ATOM 192 N GLU A 927 7.073 -3.053 -4.023 1.00 0.00 N ATOM 193 CA GLU A 927 7.840 -1.915 -4.502 1.00 0.00 C ATOM 194 C GLU A 927 6.951 -0.673 -4.585 1.00 0.00 C ATOM 195 O GLU A 927 7.129 0.274 -3.821 1.00 0.00 O ATOM 196 CB GLU A 927 8.484 -2.219 -5.856 1.00 0.00 C ATOM 197 CG GLU A 927 9.895 -2.784 -5.677 1.00 0.00 C ATOM 198 CD GLU A 927 10.952 -1.701 -5.904 1.00 0.00 C ATOM 199 OE1 GLU A 927 11.176 -0.920 -4.955 1.00 0.00 O ATOM 200 OE2 GLU A 927 11.512 -1.680 -7.021 1.00 0.00 O ATOM 0 H GLU A 927 6.920 -3.786 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 927 8.642 -1.717 -3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 927 7.869 -2.933 -6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 927 8.526 -1.310 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 927 10.001 -3.196 -4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 927 10.054 -3.604 -6.377 1.00 0.00 H new ATOM 207 N ASN A 928 6.012 -0.717 -5.519 1.00 0.00 N ATOM 208 CA ASN A 928 5.095 0.393 -5.712 1.00 0.00 C ATOM 209 C ASN A 928 4.611 0.892 -4.349 1.00 0.00 C ATOM 210 O ASN A 928 4.728 2.076 -4.040 1.00 0.00 O ATOM 211 CB ASN A 928 3.870 -0.039 -6.519 1.00 0.00 C ATOM 212 CG ASN A 928 4.285 -0.741 -7.814 1.00 0.00 C ATOM 213 OD1 ASN A 928 4.340 -1.956 -7.901 1.00 0.00 O ATOM 214 ND2 ASN A 928 4.575 0.090 -8.811 1.00 0.00 N ATOM 0 H ASN A 928 5.867 -1.505 -6.151 1.00 0.00 H new ATOM 0 HA ASN A 928 5.625 1.178 -6.252 1.00 0.00 H new ATOM 0 HB2 ASN A 928 3.253 -0.709 -5.920 1.00 0.00 H new ATOM 0 HB3 ASN A 928 3.259 0.833 -6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 928 4.864 -0.281 -9.716 1.00 0.00 H new ATOM 0 HD22 ASN A 928 4.508 1.098 -8.671 1.00 0.00 H new ATOM 221 N VAL A 929 4.078 -0.038 -3.569 1.00 0.00 N ATOM 222 CA VAL A 929 3.576 0.292 -2.247 1.00 0.00 C ATOM 223 C VAL A 929 4.552 1.249 -1.559 1.00 0.00 C ATOM 224 O VAL A 929 4.181 2.362 -1.192 1.00 0.00 O ATOM 225 CB VAL A 929 3.330 -0.988 -1.446 1.00 0.00 C ATOM 226 CG1 VAL A 929 2.942 -0.666 -0.001 1.00 0.00 C ATOM 227 CG2 VAL A 929 2.267 -1.860 -2.117 1.00 0.00 C ATOM 0 H VAL A 929 3.983 -1.020 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 929 2.616 0.804 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 929 4.262 -1.553 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 929 2.773 -1.594 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 929 3.746 -0.105 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 929 2.030 -0.069 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 929 2.112 -2.763 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 929 1.331 -1.305 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 929 2.600 -2.134 -3.118 1.00 0.00 H new ATOM 237 N THR A 930 5.782 0.780 -1.407 1.00 0.00 N ATOM 238 CA THR A 930 6.814 1.580 -0.770 1.00 0.00 C ATOM 239 C THR A 930 7.156 2.795 -1.635 1.00 0.00 C ATOM 240 O THR A 930 6.936 3.934 -1.226 1.00 0.00 O ATOM 241 CB THR A 930 8.015 0.672 -0.496 1.00 0.00 C ATOM 242 OG1 THR A 930 8.062 -0.192 -1.629 1.00 0.00 O ATOM 243 CG2 THR A 930 7.777 -0.273 0.683 1.00 0.00 C ATOM 0 H THR A 930 6.087 -0.144 -1.714 1.00 0.00 H new ATOM 0 HA THR A 930 6.470 1.984 0.182 1.00 0.00 H new ATOM 0 HB THR A 930 8.895 1.284 -0.299 1.00 0.00 H new ATOM 0 HG1 THR A 930 7.735 -1.081 -1.377 1.00 0.00 H new ATOM 0 HG21 THR A 930 8.659 -0.895 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 930 7.585 0.310 1.584 1.00 0.00 H new ATOM 0 HG23 THR A 930 6.917 -0.909 0.472 1.00 0.00 H new ATOM 251 N GLY A 931 7.689 2.511 -2.814 1.00 0.00 N ATOM 252 CA GLY A 931 8.064 3.566 -3.740 1.00 0.00 C ATOM 253 C GLY A 931 7.083 4.738 -3.662 1.00 0.00 C ATOM 254 O GLY A 931 7.497 5.893 -3.576 1.00 0.00 O ATOM 0 H GLY A 931 7.870 1.565 -3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 931 9.071 3.914 -3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 931 8.086 3.172 -4.756 1.00 0.00 H new ATOM 258 N LEU A 932 5.803 4.400 -3.694 1.00 0.00 N ATOM 259 CA LEU A 932 4.760 5.410 -3.627 1.00 0.00 C ATOM 260 C LEU A 932 4.744 6.029 -2.228 1.00 0.00 C ATOM 261 O LEU A 932 4.784 7.250 -2.085 1.00 0.00 O ATOM 262 CB LEU A 932 3.415 4.819 -4.054 1.00 0.00 C ATOM 263 CG LEU A 932 2.410 4.559 -2.929 1.00 0.00 C ATOM 264 CD1 LEU A 932 1.967 5.869 -2.275 1.00 0.00 C ATOM 265 CD2 LEU A 932 1.221 3.740 -3.436 1.00 0.00 C ATOM 0 H LEU A 932 5.464 3.441 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 932 4.965 6.217 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 932 2.956 5.495 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 932 3.602 3.878 -4.572 1.00 0.00 H new ATOM 0 HG LEU A 932 2.904 3.967 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 932 1.253 5.655 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 932 2.835 6.379 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 932 1.497 6.508 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.522 3.569 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 932 0.718 4.285 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 932 1.575 2.782 -3.817 1.00 0.00 H new ATOM 277 N VAL A 933 4.686 5.158 -1.231 1.00 0.00 N ATOM 278 CA VAL A 933 4.665 5.604 0.152 1.00 0.00 C ATOM 279 C VAL A 933 5.872 6.508 0.410 1.00 0.00 C ATOM 280 O VAL A 933 5.811 7.405 1.250 1.00 0.00 O ATOM 281 CB VAL A 933 4.610 4.397 1.090 1.00 0.00 C ATOM 282 CG1 VAL A 933 5.491 4.619 2.321 1.00 0.00 C ATOM 283 CG2 VAL A 933 3.168 4.083 1.496 1.00 0.00 C ATOM 0 H VAL A 933 4.653 4.146 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 933 3.770 6.193 0.350 1.00 0.00 H new ATOM 0 HB VAL A 933 5.001 3.535 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 933 5.434 3.746 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 933 6.524 4.771 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 933 5.144 5.499 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 933 3.157 3.221 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 933 2.739 4.944 2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 933 2.580 3.861 0.606 1.00 0.00 H new ATOM 293 N LYS A 934 6.940 6.240 -0.326 1.00 0.00 N ATOM 294 CA LYS A 934 8.159 7.018 -0.187 1.00 0.00 C ATOM 295 C LYS A 934 7.880 8.470 -0.580 1.00 0.00 C ATOM 296 O LYS A 934 8.234 9.394 0.151 1.00 0.00 O ATOM 297 CB LYS A 934 9.299 6.375 -0.980 1.00 0.00 C ATOM 298 CG LYS A 934 9.669 5.009 -0.398 1.00 0.00 C ATOM 299 CD LYS A 934 11.089 5.022 0.173 1.00 0.00 C ATOM 300 CE LYS A 934 12.128 4.871 -0.940 1.00 0.00 C ATOM 301 NZ LYS A 934 13.033 6.042 -0.967 1.00 0.00 N ATOM 0 H LYS A 934 6.987 5.495 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 934 8.489 7.026 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 934 9.003 6.262 -2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 934 10.171 7.029 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 934 8.961 4.740 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 934 9.592 4.247 -1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 934 11.260 5.954 0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 934 11.203 4.212 0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 934 12.707 3.960 -0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 934 11.626 4.769 -1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 13.732 5.923 -1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 12.479 6.905 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 13.525 6.121 -0.054 1.00 0.00 H new ATOM 315 N ALA A 935 7.248 8.626 -1.734 1.00 0.00 N ATOM 316 CA ALA A 935 6.918 9.950 -2.233 1.00 0.00 C ATOM 317 C ALA A 935 5.928 10.619 -1.277 1.00 0.00 C ATOM 318 O ALA A 935 6.069 11.797 -0.955 1.00 0.00 O ATOM 319 CB ALA A 935 6.368 9.837 -3.656 1.00 0.00 C ATOM 0 H ALA A 935 6.956 7.857 -2.338 1.00 0.00 H new ATOM 0 HA ALA A 935 7.809 10.576 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.120 10.830 -4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.120 9.383 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.471 9.217 -3.651 1.00 0.00 H new ATOM 325 N VAL A 936 4.948 9.836 -0.849 1.00 0.00 N ATOM 326 CA VAL A 936 3.934 10.337 0.064 1.00 0.00 C ATOM 327 C VAL A 936 4.596 11.239 1.108 1.00 0.00 C ATOM 328 O VAL A 936 4.128 12.347 1.363 1.00 0.00 O ATOM 329 CB VAL A 936 3.164 9.169 0.683 1.00 0.00 C ATOM 330 CG1 VAL A 936 2.326 9.636 1.875 1.00 0.00 C ATOM 331 CG2 VAL A 936 2.292 8.472 -0.362 1.00 0.00 C ATOM 0 H VAL A 936 4.835 8.859 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 936 3.202 10.942 -0.471 1.00 0.00 H new ATOM 0 HB VAL A 936 3.891 8.444 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.789 8.787 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 936 2.980 10.065 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 936 1.611 10.390 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 936 1.756 7.646 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.576 9.184 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 936 2.922 8.089 -1.164 1.00 0.00 H new ATOM 341 N ILE A 937 5.674 10.729 1.685 1.00 0.00 N ATOM 342 CA ILE A 937 6.405 11.474 2.696 1.00 0.00 C ATOM 343 C ILE A 937 7.391 12.423 2.012 1.00 0.00 C ATOM 344 O ILE A 937 7.294 13.639 2.164 1.00 0.00 O ATOM 345 CB ILE A 937 7.063 10.519 3.694 1.00 0.00 C ATOM 346 CG1 ILE A 937 6.035 9.966 4.683 1.00 0.00 C ATOM 347 CG2 ILE A 937 8.238 11.193 4.405 1.00 0.00 C ATOM 348 CD1 ILE A 937 5.809 8.469 4.459 1.00 0.00 C ATOM 0 H ILE A 937 6.059 9.809 1.472 1.00 0.00 H new ATOM 0 HA ILE A 937 5.723 12.091 3.281 1.00 0.00 H new ATOM 0 HB ILE A 937 7.466 9.671 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 937 6.378 10.137 5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 937 5.092 10.501 4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 937 8.688 10.493 5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 937 8.983 11.497 3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 937 7.882 12.071 4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 937 5.074 8.101 5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 937 5.443 8.304 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 937 6.749 7.935 4.597 1.00 0.00 H new ATOM 360 N GLU A 938 8.317 11.830 1.272 1.00 0.00 N ATOM 361 CA GLU A 938 9.319 12.607 0.563 1.00 0.00 C ATOM 362 C GLU A 938 8.710 13.912 0.045 1.00 0.00 C ATOM 363 O GLU A 938 9.269 14.988 0.255 1.00 0.00 O ATOM 364 CB GLU A 938 9.934 11.798 -0.580 1.00 0.00 C ATOM 365 CG GLU A 938 11.406 12.163 -0.781 1.00 0.00 C ATOM 366 CD GLU A 938 12.302 10.932 -0.628 1.00 0.00 C ATOM 367 OE1 GLU A 938 12.661 10.632 0.532 1.00 0.00 O ATOM 368 OE2 GLU A 938 12.607 10.318 -1.673 1.00 0.00 O ATOM 0 H GLU A 938 8.394 10.820 1.148 1.00 0.00 H new ATOM 0 HA GLU A 938 10.119 12.853 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 938 9.846 10.733 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.381 11.984 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 938 11.545 12.597 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 938 11.698 12.922 -0.056 1.00 0.00 H new ATOM 375 N MET A 939 7.574 13.774 -0.621 1.00 0.00 N ATOM 376 CA MET A 939 6.884 14.929 -1.171 1.00 0.00 C ATOM 377 C MET A 939 6.772 16.046 -0.131 1.00 0.00 C ATOM 378 O MET A 939 7.334 17.125 -0.312 1.00 0.00 O ATOM 379 CB MET A 939 5.484 14.516 -1.630 1.00 0.00 C ATOM 380 CG MET A 939 4.672 15.734 -2.076 1.00 0.00 C ATOM 381 SD MET A 939 2.937 15.319 -2.145 1.00 0.00 S ATOM 382 CE MET A 939 2.999 13.904 -3.231 1.00 0.00 C ATOM 0 H MET A 939 7.113 12.880 -0.793 1.00 0.00 H new ATOM 0 HA MET A 939 7.458 15.303 -2.019 1.00 0.00 H new ATOM 0 HB2 MET A 939 5.562 13.805 -2.453 1.00 0.00 H new ATOM 0 HB3 MET A 939 4.966 14.007 -0.817 1.00 0.00 H new ATOM 0 HG2 MET A 939 4.829 16.560 -1.383 1.00 0.00 H new ATOM 0 HG3 MET A 939 5.013 16.070 -3.055 1.00 0.00 H new ATOM 0 HE1 MET A 939 2.018 13.745 -3.678 1.00 0.00 H new ATOM 0 HE2 MET A 939 3.732 14.081 -4.018 1.00 0.00 H new ATOM 0 HE3 MET A 939 3.285 13.020 -2.661 1.00 0.00 H new ATOM 392 N SER A 940 6.042 15.749 0.934 1.00 0.00 N ATOM 393 CA SER A 940 5.849 16.715 2.002 1.00 0.00 C ATOM 394 C SER A 940 7.175 17.403 2.331 1.00 0.00 C ATOM 395 O SER A 940 7.196 18.580 2.690 1.00 0.00 O ATOM 396 CB SER A 940 5.273 16.047 3.252 1.00 0.00 C ATOM 397 OG SER A 940 6.153 15.060 3.783 1.00 0.00 O ATOM 0 H SER A 940 5.577 14.853 1.080 1.00 0.00 H new ATOM 0 HA SER A 940 5.134 17.463 1.661 1.00 0.00 H new ATOM 0 HB2 SER A 940 5.078 16.805 4.011 1.00 0.00 H new ATOM 0 HB3 SER A 940 4.316 15.586 3.008 1.00 0.00 H new ATOM 0 HG SER A 940 6.214 14.307 3.159 1.00 0.00 H new ATOM 403 N SER A 941 8.250 16.640 2.198 1.00 0.00 N ATOM 404 CA SER A 941 9.577 17.161 2.477 1.00 0.00 C ATOM 405 C SER A 941 9.930 18.259 1.472 1.00 0.00 C ATOM 406 O SER A 941 10.521 19.274 1.838 1.00 0.00 O ATOM 407 CB SER A 941 10.626 16.048 2.436 1.00 0.00 C ATOM 408 OG SER A 941 11.492 16.089 3.567 1.00 0.00 O ATOM 0 H SER A 941 8.229 15.665 1.901 1.00 0.00 H new ATOM 0 HA SER A 941 9.574 17.584 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 941 10.126 15.080 2.397 1.00 0.00 H new ATOM 0 HB3 SER A 941 11.216 16.139 1.524 1.00 0.00 H new ATOM 0 HG SER A 941 12.146 15.362 3.505 1.00 0.00 H new ATOM 414 N LYS A 942 9.553 18.020 0.225 1.00 0.00 N ATOM 415 CA LYS A 942 9.822 18.976 -0.836 1.00 0.00 C ATOM 416 C LYS A 942 8.499 19.560 -1.338 1.00 0.00 C ATOM 417 O LYS A 942 8.407 20.004 -2.481 1.00 0.00 O ATOM 418 CB LYS A 942 10.666 18.331 -1.937 1.00 0.00 C ATOM 419 CG LYS A 942 9.997 17.063 -2.469 1.00 0.00 C ATOM 420 CD LYS A 942 10.154 16.956 -3.988 1.00 0.00 C ATOM 421 CE LYS A 942 8.863 17.363 -4.702 1.00 0.00 C ATOM 422 NZ LYS A 942 9.113 17.569 -6.146 1.00 0.00 N ATOM 0 H LYS A 942 9.063 17.177 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 942 10.415 19.808 -0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 942 10.810 19.040 -2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 942 11.655 18.089 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.437 16.188 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 942 8.939 17.069 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 942 10.973 17.594 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 942 10.417 15.934 -4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 942 8.105 16.591 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 942 8.469 18.279 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 8.297 18.051 -6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 9.965 18.152 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 9.253 16.648 -6.609 1.00 0.00 H new ATOM 436 N ILE A 943 7.509 19.540 -0.458 1.00 0.00 N ATOM 437 CA ILE A 943 6.196 20.062 -0.798 1.00 0.00 C ATOM 438 C ILE A 943 6.096 21.517 -0.336 1.00 0.00 C ATOM 439 O ILE A 943 5.677 22.387 -1.098 1.00 0.00 O ATOM 440 CB ILE A 943 5.098 19.160 -0.231 1.00 0.00 C ATOM 441 CG1 ILE A 943 3.934 19.028 -1.216 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.634 19.655 1.140 1.00 0.00 C ATOM 443 CD1 ILE A 943 2.853 20.072 -0.931 1.00 0.00 C ATOM 0 H ILE A 943 7.589 19.171 0.489 1.00 0.00 H new ATOM 0 HA ILE A 943 6.052 20.059 -1.879 1.00 0.00 H new ATOM 0 HB ILE A 943 5.515 18.163 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 943 4.300 19.148 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 943 3.506 18.028 -1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 943 3.853 18.996 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 943 5.477 19.655 1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 943 4.241 20.667 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.038 19.956 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 943 2.472 19.934 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 943 3.278 21.071 -1.025 1.00 0.00 H new ATOM 455 N GLN A 944 6.486 21.737 0.911 1.00 0.00 N ATOM 456 CA GLN A 944 6.445 23.072 1.484 1.00 0.00 C ATOM 457 C GLN A 944 7.014 24.092 0.495 1.00 0.00 C ATOM 458 O GLN A 944 6.356 25.077 0.167 1.00 0.00 O ATOM 459 CB GLN A 944 7.198 23.121 2.815 1.00 0.00 C ATOM 460 CG GLN A 944 6.304 23.665 3.931 1.00 0.00 C ATOM 461 CD GLN A 944 7.094 24.579 4.870 1.00 0.00 C ATOM 462 OE1 GLN A 944 6.639 25.634 5.281 1.00 0.00 O ATOM 463 NE2 GLN A 944 8.300 24.116 5.187 1.00 0.00 N ATOM 0 H GLN A 944 6.832 21.013 1.541 1.00 0.00 H new ATOM 0 HA GLN A 944 5.404 23.329 1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 944 7.546 22.122 3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 944 8.083 23.750 2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 944 5.470 24.217 3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 944 5.878 22.837 4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 944 8.620 23.225 4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 944 8.905 24.652 5.809 1.00 0.00 H new ATOM 472 N PRO A 945 8.263 23.812 0.036 1.00 0.00 N ATOM 473 CA PRO A 945 8.928 24.693 -0.909 1.00 0.00 C ATOM 474 C PRO A 945 8.339 24.536 -2.313 1.00 0.00 C ATOM 475 O PRO A 945 8.001 25.525 -2.962 1.00 0.00 O ATOM 476 CB PRO A 945 10.397 24.312 -0.836 1.00 0.00 C ATOM 477 CG PRO A 945 10.439 22.930 -0.205 1.00 0.00 C ATOM 478 CD PRO A 945 9.073 22.654 0.402 1.00 0.00 C ATOM 0 HA PRO A 945 8.791 25.747 -0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 945 10.847 24.302 -1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 945 10.958 25.031 -0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 945 10.684 22.176 -0.953 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.214 22.883 0.560 1.00 0.00 H new ATOM 0 HD2 PRO A 945 8.645 21.732 0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 945 9.136 22.541 1.484 1.00 0.00 H new ATOM 486 N ALA A 946 8.235 23.286 -2.740 1.00 0.00 N ATOM 487 CA ALA A 946 7.693 22.987 -4.054 1.00 0.00 C ATOM 488 C ALA A 946 6.645 24.040 -4.421 1.00 0.00 C ATOM 489 O ALA A 946 5.730 24.308 -3.643 1.00 0.00 O ATOM 490 CB ALA A 946 7.120 21.569 -4.060 1.00 0.00 C ATOM 0 H ALA A 946 8.517 22.469 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 946 8.478 23.025 -4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 946 6.713 21.345 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 946 7.910 20.856 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.328 21.494 -3.315 1.00 0.00 H new ATOM 496 N PRO A 947 6.818 24.624 -5.637 1.00 0.00 N ATOM 497 CA PRO A 947 5.898 25.642 -6.116 1.00 0.00 C ATOM 498 C PRO A 947 4.575 25.018 -6.565 1.00 0.00 C ATOM 499 O PRO A 947 4.417 23.799 -6.531 1.00 0.00 O ATOM 500 CB PRO A 947 6.639 26.342 -7.244 1.00 0.00 C ATOM 501 CG PRO A 947 7.751 25.394 -7.663 1.00 0.00 C ATOM 502 CD PRO A 947 7.890 24.332 -6.584 1.00 0.00 C ATOM 0 HA PRO A 947 5.617 26.354 -5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 947 5.970 26.553 -8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.045 27.297 -6.911 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.519 24.934 -8.624 1.00 0.00 H new ATOM 0 HG3 PRO A 947 8.688 25.936 -7.788 1.00 0.00 H new ATOM 0 HD2 PRO A 947 7.789 23.329 -7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 947 8.867 24.381 -6.104 1.00 0.00 H new ATOM 510 N PRO A 948 3.635 25.906 -6.987 1.00 0.00 N ATOM 511 CA PRO A 948 2.331 25.455 -7.442 1.00 0.00 C ATOM 512 C PRO A 948 2.422 24.835 -8.838 1.00 0.00 C ATOM 513 O PRO A 948 1.504 24.143 -9.275 1.00 0.00 O ATOM 514 CB PRO A 948 1.449 26.692 -7.398 1.00 0.00 C ATOM 515 CG PRO A 948 2.398 27.879 -7.366 1.00 0.00 C ATOM 516 CD PRO A 948 3.788 27.357 -7.041 1.00 0.00 C ATOM 0 HA PRO A 948 1.917 24.665 -6.816 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.796 26.737 -8.270 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.806 26.682 -6.518 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.399 28.393 -8.327 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.078 28.603 -6.617 1.00 0.00 H new ATOM 0 HD2 PRO A 948 4.510 27.651 -7.803 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.148 27.753 -6.091 1.00 0.00 H new ATOM 524 N GLU A 949 3.538 25.107 -9.499 1.00 0.00 N ATOM 525 CA GLU A 949 3.760 24.584 -10.837 1.00 0.00 C ATOM 526 C GLU A 949 4.404 23.198 -10.765 1.00 0.00 C ATOM 527 O GLU A 949 4.275 22.401 -11.693 1.00 0.00 O ATOM 528 CB GLU A 949 4.617 25.545 -11.665 1.00 0.00 C ATOM 529 CG GLU A 949 3.742 26.446 -12.538 1.00 0.00 C ATOM 530 CD GLU A 949 4.576 27.144 -13.614 1.00 0.00 C ATOM 531 OE1 GLU A 949 5.521 26.494 -14.111 1.00 0.00 O ATOM 532 OE2 GLU A 949 4.251 28.313 -13.915 1.00 0.00 O ATOM 0 H GLU A 949 4.297 25.682 -9.134 1.00 0.00 H new ATOM 0 HA GLU A 949 2.795 24.489 -11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 949 5.227 26.157 -11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 949 5.302 24.977 -12.294 1.00 0.00 H new ATOM 0 HG2 GLU A 949 2.958 25.852 -13.008 1.00 0.00 H new ATOM 0 HG3 GLU A 949 3.247 27.192 -11.916 1.00 0.00 H new ATOM 539 N GLU A 950 5.084 22.953 -9.655 1.00 0.00 N ATOM 540 CA GLU A 950 5.749 21.678 -9.450 1.00 0.00 C ATOM 541 C GLU A 950 4.901 20.776 -8.550 1.00 0.00 C ATOM 542 O GLU A 950 5.241 19.614 -8.332 1.00 0.00 O ATOM 543 CB GLU A 950 7.148 21.876 -8.865 1.00 0.00 C ATOM 544 CG GLU A 950 8.179 21.022 -9.606 1.00 0.00 C ATOM 545 CD GLU A 950 9.167 21.901 -10.376 1.00 0.00 C ATOM 546 OE1 GLU A 950 10.034 22.501 -9.705 1.00 0.00 O ATOM 547 OE2 GLU A 950 9.033 21.953 -11.617 1.00 0.00 O ATOM 0 H GLU A 950 5.189 23.617 -8.888 1.00 0.00 H new ATOM 0 HA GLU A 950 5.862 21.190 -10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.428 22.928 -8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.144 21.612 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 950 8.720 20.399 -8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 950 7.671 20.349 -10.297 1.00 0.00 H new ATOM 554 N TYR A 951 3.813 21.346 -8.053 1.00 0.00 N ATOM 555 CA TYR A 951 2.913 20.608 -7.182 1.00 0.00 C ATOM 556 C TYR A 951 1.787 19.954 -7.984 1.00 0.00 C ATOM 557 O TYR A 951 1.404 18.817 -7.711 1.00 0.00 O ATOM 558 CB TYR A 951 2.311 21.640 -6.227 1.00 0.00 C ATOM 559 CG TYR A 951 1.530 21.028 -5.062 1.00 0.00 C ATOM 560 CD1 TYR A 951 1.467 19.657 -4.917 1.00 0.00 C ATOM 561 CD2 TYR A 951 0.889 21.847 -4.155 1.00 0.00 C ATOM 562 CE1 TYR A 951 0.733 19.081 -3.821 1.00 0.00 C ATOM 563 CE2 TYR A 951 0.155 21.272 -3.058 1.00 0.00 C ATOM 564 CZ TYR A 951 0.113 19.917 -2.945 1.00 0.00 C ATOM 565 OH TYR A 951 -0.581 19.373 -1.909 1.00 0.00 O ATOM 0 H TYR A 951 3.534 22.310 -8.237 1.00 0.00 H new ATOM 0 HA TYR A 951 3.449 19.816 -6.658 1.00 0.00 H new ATOM 0 HB2 TYR A 951 3.113 22.261 -5.827 1.00 0.00 H new ATOM 0 HB3 TYR A 951 1.648 22.298 -6.790 1.00 0.00 H new ATOM 0 HD1 TYR A 951 1.969 19.016 -5.626 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.938 22.920 -4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 951 0.676 18.010 -3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.351 21.902 -2.341 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.970 20.089 -1.364 1.00 0.00 H new ATOM 575 N VAL A 952 1.287 20.700 -8.958 1.00 0.00 N ATOM 576 CA VAL A 952 0.212 20.207 -9.802 1.00 0.00 C ATOM 577 C VAL A 952 0.576 18.816 -10.325 1.00 0.00 C ATOM 578 O VAL A 952 -0.241 17.898 -10.280 1.00 0.00 O ATOM 579 CB VAL A 952 -0.076 21.210 -10.922 1.00 0.00 C ATOM 580 CG1 VAL A 952 -0.392 20.490 -12.234 1.00 0.00 C ATOM 581 CG2 VAL A 952 -1.211 22.158 -10.530 1.00 0.00 C ATOM 0 H VAL A 952 1.607 21.642 -9.182 1.00 0.00 H new ATOM 0 HA VAL A 952 -0.709 20.107 -9.228 1.00 0.00 H new ATOM 0 HB VAL A 952 0.822 21.808 -11.076 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.593 21.225 -13.013 1.00 0.00 H new ATOM 0 HG12 VAL A 952 0.459 19.875 -12.526 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -1.268 19.856 -12.099 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -1.396 22.860 -11.343 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -2.116 21.582 -10.336 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -0.932 22.708 -9.632 1.00 0.00 H new ATOM 591 N PRO A 953 1.837 18.701 -10.821 1.00 0.00 N ATOM 592 CA PRO A 953 2.320 17.437 -11.352 1.00 0.00 C ATOM 593 C PRO A 953 2.637 16.454 -10.223 1.00 0.00 C ATOM 594 O PRO A 953 2.169 15.317 -10.235 1.00 0.00 O ATOM 595 CB PRO A 953 3.539 17.800 -12.184 1.00 0.00 C ATOM 596 CG PRO A 953 3.968 19.181 -11.715 1.00 0.00 C ATOM 597 CD PRO A 953 2.833 19.766 -10.891 1.00 0.00 C ATOM 0 HA PRO A 953 1.576 16.925 -11.963 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.339 17.073 -12.042 1.00 0.00 H new ATOM 0 HB3 PRO A 953 3.299 17.806 -13.247 1.00 0.00 H new ATOM 0 HG2 PRO A 953 4.878 19.116 -11.119 1.00 0.00 H new ATOM 0 HG3 PRO A 953 4.190 19.822 -12.568 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.174 20.055 -9.897 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.424 20.661 -11.360 1.00 0.00 H new ATOM 605 N MET A 954 3.431 16.929 -9.274 1.00 0.00 N ATOM 606 CA MET A 954 3.817 16.106 -8.140 1.00 0.00 C ATOM 607 C MET A 954 2.691 15.146 -7.751 1.00 0.00 C ATOM 608 O MET A 954 2.912 13.943 -7.620 1.00 0.00 O ATOM 609 CB MET A 954 4.157 17.004 -6.950 1.00 0.00 C ATOM 610 CG MET A 954 5.594 16.771 -6.480 1.00 0.00 C ATOM 611 SD MET A 954 6.323 18.313 -5.954 1.00 0.00 S ATOM 612 CE MET A 954 5.231 18.728 -4.604 1.00 0.00 C ATOM 0 H MET A 954 3.817 17.873 -9.267 1.00 0.00 H new ATOM 0 HA MET A 954 4.690 15.517 -8.422 1.00 0.00 H new ATOM 0 HB2 MET A 954 4.027 18.049 -7.230 1.00 0.00 H new ATOM 0 HB3 MET A 954 3.466 16.805 -6.131 1.00 0.00 H new ATOM 0 HG2 MET A 954 5.605 16.055 -5.658 1.00 0.00 H new ATOM 0 HG3 MET A 954 6.184 16.338 -7.288 1.00 0.00 H new ATOM 0 HE1 MET A 954 4.749 19.684 -4.807 1.00 0.00 H new ATOM 0 HE2 MET A 954 4.471 17.953 -4.499 1.00 0.00 H new ATOM 0 HE3 MET A 954 5.805 18.800 -3.680 1.00 0.00 H new ATOM 622 N VAL A 955 1.506 15.714 -7.577 1.00 0.00 N ATOM 623 CA VAL A 955 0.345 14.924 -7.206 1.00 0.00 C ATOM 624 C VAL A 955 -0.016 13.983 -8.357 1.00 0.00 C ATOM 625 O VAL A 955 -0.196 12.784 -8.150 1.00 0.00 O ATOM 626 CB VAL A 955 -0.808 15.846 -6.803 1.00 0.00 C ATOM 627 CG1 VAL A 955 -2.111 15.059 -6.647 1.00 0.00 C ATOM 628 CG2 VAL A 955 -0.475 16.614 -5.523 1.00 0.00 C ATOM 0 H VAL A 955 1.326 16.712 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 955 0.567 14.304 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.950 16.573 -7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.914 15.738 -6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -2.362 14.579 -7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.987 14.298 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.311 17.262 -5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -0.293 15.908 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.417 17.220 -5.684 1.00 0.00 H new ATOM 638 N LYS A 956 -0.111 14.562 -9.545 1.00 0.00 N ATOM 639 CA LYS A 956 -0.447 13.790 -10.729 1.00 0.00 C ATOM 640 C LYS A 956 0.375 12.500 -10.741 1.00 0.00 C ATOM 641 O LYS A 956 -0.089 11.469 -11.228 1.00 0.00 O ATOM 642 CB LYS A 956 -0.276 14.640 -11.989 1.00 0.00 C ATOM 643 CG LYS A 956 -1.391 15.681 -12.105 1.00 0.00 C ATOM 644 CD LYS A 956 -2.678 15.049 -12.639 1.00 0.00 C ATOM 645 CE LYS A 956 -2.543 14.701 -14.122 1.00 0.00 C ATOM 646 NZ LYS A 956 -2.145 13.285 -14.288 1.00 0.00 N ATOM 0 H LYS A 956 0.039 15.557 -9.713 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.497 13.499 -10.709 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.692 15.140 -11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -0.281 13.997 -12.869 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -1.579 16.128 -11.129 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -1.074 16.486 -12.768 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -2.908 14.148 -12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -3.511 15.737 -12.498 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -3.490 14.881 -14.631 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -1.802 15.350 -14.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -1.245 13.236 -14.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -2.029 12.845 -13.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -2.880 12.778 -14.820 1.00 0.00 H new ATOM 660 N GLU A 957 1.580 12.598 -10.201 1.00 0.00 N ATOM 661 CA GLU A 957 2.471 11.451 -10.144 1.00 0.00 C ATOM 662 C GLU A 957 1.951 10.426 -9.134 1.00 0.00 C ATOM 663 O GLU A 957 1.966 9.225 -9.400 1.00 0.00 O ATOM 664 CB GLU A 957 3.898 11.882 -9.802 1.00 0.00 C ATOM 665 CG GLU A 957 4.717 12.122 -11.072 1.00 0.00 C ATOM 666 CD GLU A 957 5.194 13.574 -11.151 1.00 0.00 C ATOM 667 OE1 GLU A 957 4.368 14.422 -11.554 1.00 0.00 O ATOM 668 OE2 GLU A 957 6.373 13.804 -10.806 1.00 0.00 O ATOM 0 H GLU A 957 1.961 13.454 -9.799 1.00 0.00 H new ATOM 0 HA GLU A 957 2.494 10.984 -11.128 1.00 0.00 H new ATOM 0 HB2 GLU A 957 3.873 12.793 -9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.378 11.114 -9.195 1.00 0.00 H new ATOM 0 HG2 GLU A 957 5.577 11.452 -11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 957 4.113 11.886 -11.948 1.00 0.00 H new ATOM 675 N VAL A 958 1.503 10.937 -7.997 1.00 0.00 N ATOM 676 CA VAL A 958 0.980 10.080 -6.946 1.00 0.00 C ATOM 677 C VAL A 958 -0.137 9.205 -7.517 1.00 0.00 C ATOM 678 O VAL A 958 -0.166 7.998 -7.283 1.00 0.00 O ATOM 679 CB VAL A 958 0.526 10.929 -5.757 1.00 0.00 C ATOM 680 CG1 VAL A 958 -0.993 11.107 -5.758 1.00 0.00 C ATOM 681 CG2 VAL A 958 1.006 10.323 -4.436 1.00 0.00 C ATOM 0 H VAL A 958 1.491 11.934 -7.780 1.00 0.00 H new ATOM 0 HA VAL A 958 1.758 9.413 -6.574 1.00 0.00 H new ATOM 0 HB VAL A 958 0.979 11.915 -5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.289 11.714 -4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -1.301 11.603 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -1.474 10.131 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 958 0.670 10.946 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 958 0.596 9.319 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 958 2.095 10.272 -4.433 1.00 0.00 H new ATOM 691 N GLY A 959 -1.031 9.848 -8.255 1.00 0.00 N ATOM 692 CA GLY A 959 -2.147 9.143 -8.861 1.00 0.00 C ATOM 693 C GLY A 959 -1.658 7.971 -9.714 1.00 0.00 C ATOM 694 O GLY A 959 -2.198 6.869 -9.630 1.00 0.00 O ATOM 0 H GLY A 959 -1.005 10.850 -8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.816 8.776 -8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -2.724 9.831 -9.479 1.00 0.00 H new ATOM 698 N LEU A 960 -0.640 8.249 -10.516 1.00 0.00 N ATOM 699 CA LEU A 960 -0.072 7.231 -11.384 1.00 0.00 C ATOM 700 C LEU A 960 0.448 6.072 -10.531 1.00 0.00 C ATOM 701 O LEU A 960 0.160 4.911 -10.815 1.00 0.00 O ATOM 702 CB LEU A 960 0.987 7.842 -12.303 1.00 0.00 C ATOM 703 CG LEU A 960 0.767 7.646 -13.804 1.00 0.00 C ATOM 704 CD1 LEU A 960 1.741 8.500 -14.618 1.00 0.00 C ATOM 705 CD2 LEU A 960 0.849 6.165 -14.181 1.00 0.00 C ATOM 0 H LEU A 960 -0.194 9.164 -10.583 1.00 0.00 H new ATOM 0 HA LEU A 960 -0.837 6.823 -12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 960 1.041 8.912 -12.101 1.00 0.00 H new ATOM 0 HB3 LEU A 960 1.956 7.418 -12.040 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.239 7.986 -14.049 1.00 0.00 H new ATOM 0 HD11 LEU A 960 1.563 8.341 -15.682 1.00 0.00 H new ATOM 0 HD12 LEU A 960 1.590 9.552 -14.378 1.00 0.00 H new ATOM 0 HD13 LEU A 960 2.765 8.215 -14.375 1.00 0.00 H new ATOM 0 HD21 LEU A 960 0.689 6.053 -15.253 1.00 0.00 H new ATOM 0 HD22 LEU A 960 1.833 5.777 -13.918 1.00 0.00 H new ATOM 0 HD23 LEU A 960 0.083 5.609 -13.640 1.00 0.00 H new ATOM 717 N ALA A 961 1.205 6.429 -9.503 1.00 0.00 N ATOM 718 CA ALA A 961 1.767 5.433 -8.608 1.00 0.00 C ATOM 719 C ALA A 961 0.636 4.744 -7.842 1.00 0.00 C ATOM 720 O ALA A 961 0.663 3.530 -7.646 1.00 0.00 O ATOM 721 CB ALA A 961 2.781 6.099 -7.675 1.00 0.00 C ATOM 0 H ALA A 961 1.442 7.394 -9.271 1.00 0.00 H new ATOM 0 HA ALA A 961 2.297 4.666 -9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 961 3.203 5.352 -7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 961 3.579 6.548 -8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 961 2.284 6.873 -7.090 1.00 0.00 H new ATOM 727 N LEU A 962 -0.333 5.549 -7.430 1.00 0.00 N ATOM 728 CA LEU A 962 -1.472 5.032 -6.691 1.00 0.00 C ATOM 729 C LEU A 962 -2.283 4.104 -7.596 1.00 0.00 C ATOM 730 O LEU A 962 -2.785 3.075 -7.146 1.00 0.00 O ATOM 731 CB LEU A 962 -2.290 6.180 -6.096 1.00 0.00 C ATOM 732 CG LEU A 962 -3.810 6.021 -6.154 1.00 0.00 C ATOM 733 CD1 LEU A 962 -4.340 6.328 -7.556 1.00 0.00 C ATOM 734 CD2 LEU A 962 -4.235 4.632 -5.672 1.00 0.00 C ATOM 0 H LEU A 962 -0.352 6.556 -7.594 1.00 0.00 H new ATOM 0 HA LEU A 962 -1.137 4.436 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.997 6.306 -5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.021 7.099 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 962 -4.256 6.748 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -5.423 6.207 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -4.085 7.353 -7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -3.889 5.642 -8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -5.320 4.545 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -3.780 3.872 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -3.908 4.488 -4.642 1.00 0.00 H new ATOM 746 N ARG A 963 -2.387 4.500 -8.856 1.00 0.00 N ATOM 747 CA ARG A 963 -3.129 3.716 -9.829 1.00 0.00 C ATOM 748 C ARG A 963 -2.501 2.330 -9.984 1.00 0.00 C ATOM 749 O ARG A 963 -3.173 1.316 -9.802 1.00 0.00 O ATOM 750 CB ARG A 963 -3.156 4.412 -11.192 1.00 0.00 C ATOM 751 CG ARG A 963 -4.043 5.658 -11.154 1.00 0.00 C ATOM 752 CD ARG A 963 -5.201 5.537 -12.146 1.00 0.00 C ATOM 753 NE ARG A 963 -5.070 6.564 -13.204 1.00 0.00 N ATOM 754 CZ ARG A 963 -5.296 7.871 -13.014 1.00 0.00 C ATOM 755 NH1 ARG A 963 -5.666 8.319 -11.807 1.00 0.00 N ATOM 756 NH2 ARG A 963 -5.152 8.731 -14.032 1.00 0.00 N ATOM 0 H ARG A 963 -1.970 5.354 -9.226 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.151 3.616 -9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -2.143 4.691 -11.482 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -3.526 3.721 -11.950 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -4.435 5.799 -10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -3.448 6.540 -11.390 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -5.207 4.542 -12.592 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -6.151 5.658 -11.625 1.00 0.00 H new ATOM 0 HE ARG A 963 -4.790 6.258 -14.136 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -5.776 7.665 -11.032 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -5.838 9.314 -11.663 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -4.870 8.390 -14.951 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -5.324 9.726 -13.887 1.00 0.00 H new ATOM 770 N THR A 964 -1.219 2.330 -10.319 1.00 0.00 N ATOM 771 CA THR A 964 -0.493 1.085 -10.500 1.00 0.00 C ATOM 772 C THR A 964 -0.581 0.227 -9.237 1.00 0.00 C ATOM 773 O THR A 964 -0.634 -0.999 -9.317 1.00 0.00 O ATOM 774 CB THR A 964 0.943 1.429 -10.902 1.00 0.00 C ATOM 775 OG1 THR A 964 0.839 1.804 -12.273 1.00 0.00 O ATOM 776 CG2 THR A 964 1.856 0.202 -10.920 1.00 0.00 C ATOM 0 H THR A 964 -0.665 3.173 -10.470 1.00 0.00 H new ATOM 0 HA THR A 964 -0.933 0.483 -11.295 1.00 0.00 H new ATOM 0 HB THR A 964 1.345 2.171 -10.212 1.00 0.00 H new ATOM 0 HG1 THR A 964 1.725 2.045 -12.614 1.00 0.00 H new ATOM 0 HG21 THR A 964 2.863 0.502 -11.211 1.00 0.00 H new ATOM 0 HG22 THR A 964 1.884 -0.245 -9.926 1.00 0.00 H new ATOM 0 HG23 THR A 964 1.473 -0.526 -11.635 1.00 0.00 H new ATOM 784 N LEU A 965 -0.594 0.906 -8.099 1.00 0.00 N ATOM 785 CA LEU A 965 -0.675 0.221 -6.820 1.00 0.00 C ATOM 786 C LEU A 965 -1.847 -0.761 -6.845 1.00 0.00 C ATOM 787 O LEU A 965 -1.700 -1.920 -6.459 1.00 0.00 O ATOM 788 CB LEU A 965 -0.745 1.232 -5.674 1.00 0.00 C ATOM 789 CG LEU A 965 -0.684 0.650 -4.261 1.00 0.00 C ATOM 790 CD1 LEU A 965 -2.086 0.317 -3.745 1.00 0.00 C ATOM 791 CD2 LEU A 965 0.250 -0.560 -4.206 1.00 0.00 C ATOM 0 H LEU A 965 -0.550 1.923 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 965 0.228 -0.364 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 965 0.076 1.940 -5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -1.671 1.799 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 965 -0.268 1.407 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -2.015 -0.095 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -2.691 1.224 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -2.552 -0.415 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 965 0.275 -0.954 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.113 -1.331 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 965 1.254 -0.258 -4.503 1.00 0.00 H new ATOM 803 N LEU A 966 -2.986 -0.263 -7.304 1.00 0.00 N ATOM 804 CA LEU A 966 -4.183 -1.082 -7.385 1.00 0.00 C ATOM 805 C LEU A 966 -3.900 -2.306 -8.259 1.00 0.00 C ATOM 806 O LEU A 966 -4.173 -3.436 -7.858 1.00 0.00 O ATOM 807 CB LEU A 966 -5.373 -0.247 -7.863 1.00 0.00 C ATOM 808 CG LEU A 966 -5.429 1.194 -7.352 1.00 0.00 C ATOM 809 CD1 LEU A 966 -6.778 1.839 -7.676 1.00 0.00 C ATOM 810 CD2 LEU A 966 -5.106 1.259 -5.858 1.00 0.00 C ATOM 0 H LEU A 966 -3.105 0.698 -7.624 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.459 -1.451 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -5.362 -0.225 -8.953 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -6.291 -0.754 -7.564 1.00 0.00 H new ATOM 0 HG LEU A 966 -4.664 1.771 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -6.791 2.863 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -6.928 1.845 -8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -7.577 1.269 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -5.153 2.294 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -5.831 0.663 -5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -4.104 0.866 -5.685 1.00 0.00 H new ATOM 822 N ALA A 967 -3.358 -2.038 -9.438 1.00 0.00 N ATOM 823 CA ALA A 967 -3.036 -3.104 -10.372 1.00 0.00 C ATOM 824 C ALA A 967 -2.072 -4.087 -9.705 1.00 0.00 C ATOM 825 O ALA A 967 -2.413 -5.251 -9.497 1.00 0.00 O ATOM 826 CB ALA A 967 -2.458 -2.501 -11.655 1.00 0.00 C ATOM 0 H ALA A 967 -3.134 -1.099 -9.768 1.00 0.00 H new ATOM 0 HA ALA A 967 -3.934 -3.658 -10.647 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -2.216 -3.300 -12.356 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -3.192 -1.833 -12.106 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.554 -1.940 -11.418 1.00 0.00 H new ATOM 832 N THR A 968 -0.889 -3.584 -9.387 1.00 0.00 N ATOM 833 CA THR A 968 0.126 -4.403 -8.748 1.00 0.00 C ATOM 834 C THR A 968 -0.509 -5.311 -7.692 1.00 0.00 C ATOM 835 O THR A 968 -0.211 -6.503 -7.632 1.00 0.00 O ATOM 836 CB THR A 968 1.199 -3.471 -8.182 1.00 0.00 C ATOM 837 OG1 THR A 968 0.480 -2.600 -7.313 1.00 0.00 O ATOM 838 CG2 THR A 968 1.784 -2.538 -9.244 1.00 0.00 C ATOM 0 H THR A 968 -0.610 -2.618 -9.560 1.00 0.00 H new ATOM 0 HA THR A 968 0.602 -5.073 -9.464 1.00 0.00 H new ATOM 0 HB THR A 968 1.999 -4.065 -7.741 1.00 0.00 H new ATOM 0 HG1 THR A 968 -0.469 -2.603 -7.559 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.540 -1.898 -8.789 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.239 -3.130 -10.038 1.00 0.00 H new ATOM 0 HG23 THR A 968 0.990 -1.920 -9.663 1.00 0.00 H new ATOM 846 N VAL A 969 -1.372 -4.712 -6.885 1.00 0.00 N ATOM 847 CA VAL A 969 -2.052 -5.451 -5.835 1.00 0.00 C ATOM 848 C VAL A 969 -2.733 -6.680 -6.441 1.00 0.00 C ATOM 849 O VAL A 969 -2.615 -7.784 -5.911 1.00 0.00 O ATOM 850 CB VAL A 969 -3.026 -4.532 -5.094 1.00 0.00 C ATOM 851 CG1 VAL A 969 -3.870 -5.322 -4.092 1.00 0.00 C ATOM 852 CG2 VAL A 969 -2.282 -3.388 -4.403 1.00 0.00 C ATOM 0 H VAL A 969 -1.616 -3.723 -6.937 1.00 0.00 H new ATOM 0 HA VAL A 969 -1.336 -5.808 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 969 -3.701 -4.096 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -4.554 -4.646 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.442 -6.085 -4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -3.216 -5.799 -3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -2.997 -2.750 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -1.572 -3.797 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -1.746 -2.800 -5.148 1.00 0.00 H new ATOM 862 N ASP A 970 -3.431 -6.447 -7.543 1.00 0.00 N ATOM 863 CA ASP A 970 -4.130 -7.521 -8.226 1.00 0.00 C ATOM 864 C ASP A 970 -3.161 -8.679 -8.474 1.00 0.00 C ATOM 865 O ASP A 970 -3.574 -9.837 -8.534 1.00 0.00 O ATOM 866 CB ASP A 970 -4.666 -7.055 -9.582 1.00 0.00 C ATOM 867 CG ASP A 970 -5.588 -8.050 -10.290 1.00 0.00 C ATOM 868 OD1 ASP A 970 -6.289 -8.789 -9.565 1.00 0.00 O ATOM 869 OD2 ASP A 970 -5.571 -8.049 -11.539 1.00 0.00 O ATOM 0 H ASP A 970 -3.527 -5.530 -7.979 1.00 0.00 H new ATOM 0 HA ASP A 970 -4.963 -7.834 -7.597 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -5.207 -6.119 -9.440 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -3.820 -6.838 -10.235 1.00 0.00 H new ATOM 874 N GLU A 971 -1.891 -8.327 -8.611 1.00 0.00 N ATOM 875 CA GLU A 971 -0.860 -9.323 -8.850 1.00 0.00 C ATOM 876 C GLU A 971 -0.552 -10.088 -7.562 1.00 0.00 C ATOM 877 O GLU A 971 -0.067 -11.217 -7.607 1.00 0.00 O ATOM 878 CB GLU A 971 0.404 -8.676 -9.419 1.00 0.00 C ATOM 879 CG GLU A 971 1.120 -9.627 -10.381 1.00 0.00 C ATOM 880 CD GLU A 971 1.873 -8.848 -11.462 1.00 0.00 C ATOM 881 OE1 GLU A 971 2.637 -7.937 -11.077 1.00 0.00 O ATOM 882 OE2 GLU A 971 1.668 -9.183 -12.649 1.00 0.00 O ATOM 0 H GLU A 971 -1.552 -7.366 -8.561 1.00 0.00 H new ATOM 0 HA GLU A 971 -1.231 -10.032 -9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 971 0.143 -7.755 -9.940 1.00 0.00 H new ATOM 0 HB3 GLU A 971 1.075 -8.403 -8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 971 1.818 -10.254 -9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 971 0.394 -10.294 -10.847 1.00 0.00 H new ATOM 889 N SER A 972 -0.848 -9.443 -6.443 1.00 0.00 N ATOM 890 CA SER A 972 -0.608 -10.049 -5.144 1.00 0.00 C ATOM 891 C SER A 972 -1.804 -10.915 -4.742 1.00 0.00 C ATOM 892 O SER A 972 -1.676 -11.806 -3.904 1.00 0.00 O ATOM 893 CB SER A 972 -0.343 -8.983 -4.079 1.00 0.00 C ATOM 894 OG SER A 972 -1.183 -9.146 -2.939 1.00 0.00 O ATOM 0 H SER A 972 -1.252 -8.507 -6.409 1.00 0.00 H new ATOM 0 HA SER A 972 0.279 -10.678 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.701 -9.031 -3.770 1.00 0.00 H new ATOM 0 HB3 SER A 972 -0.503 -7.994 -4.508 1.00 0.00 H new ATOM 0 HG SER A 972 -1.932 -8.516 -2.991 1.00 0.00 H new ATOM 900 N LEU A 973 -2.940 -10.622 -5.358 1.00 0.00 N ATOM 901 CA LEU A 973 -4.158 -11.362 -5.075 1.00 0.00 C ATOM 902 C LEU A 973 -3.859 -12.862 -5.120 1.00 0.00 C ATOM 903 O LEU A 973 -4.159 -13.587 -4.173 1.00 0.00 O ATOM 904 CB LEU A 973 -5.280 -10.929 -6.021 1.00 0.00 C ATOM 905 CG LEU A 973 -6.343 -10.006 -5.422 1.00 0.00 C ATOM 906 CD1 LEU A 973 -6.731 -8.904 -6.410 1.00 0.00 C ATOM 907 CD2 LEU A 973 -7.558 -10.805 -4.948 1.00 0.00 C ATOM 0 H LEU A 973 -3.042 -9.882 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.516 -11.138 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -4.832 -10.426 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -5.775 -11.823 -6.399 1.00 0.00 H new ATOM 0 HG LEU A 973 -5.917 -9.517 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -7.488 -8.262 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -5.851 -8.310 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -7.131 -9.354 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -8.299 -10.125 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -7.994 -11.339 -5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -7.248 -11.521 -4.187 1.00 0.00 H new ATOM 919 N PRO A 974 -3.258 -13.294 -6.261 1.00 0.00 N ATOM 920 CA PRO A 974 -2.916 -14.695 -6.442 1.00 0.00 C ATOM 921 C PRO A 974 -1.688 -15.072 -5.610 1.00 0.00 C ATOM 922 O PRO A 974 -1.596 -16.188 -5.103 1.00 0.00 O ATOM 923 CB PRO A 974 -2.693 -14.855 -7.937 1.00 0.00 C ATOM 924 CG PRO A 974 -2.462 -13.453 -8.477 1.00 0.00 C ATOM 925 CD PRO A 974 -2.889 -12.465 -7.404 1.00 0.00 C ATOM 0 HA PRO A 974 -3.700 -15.368 -6.095 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -1.835 -15.497 -8.137 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -3.557 -15.319 -8.413 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -1.412 -13.310 -8.732 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -3.036 -13.296 -9.391 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -2.079 -11.781 -7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -3.729 -11.856 -7.739 1.00 0.00 H new ATOM 933 N VAL A 975 -0.775 -14.118 -5.496 1.00 0.00 N ATOM 934 CA VAL A 975 0.443 -14.336 -4.735 1.00 0.00 C ATOM 935 C VAL A 975 0.082 -14.671 -3.287 1.00 0.00 C ATOM 936 O VAL A 975 0.814 -15.393 -2.612 1.00 0.00 O ATOM 937 CB VAL A 975 1.360 -13.116 -4.855 1.00 0.00 C ATOM 938 CG1 VAL A 975 2.681 -13.350 -4.120 1.00 0.00 C ATOM 939 CG2 VAL A 975 1.605 -12.757 -6.322 1.00 0.00 C ATOM 0 H VAL A 975 -0.855 -13.193 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 975 0.997 -15.184 -5.136 1.00 0.00 H new ATOM 0 HB VAL A 975 0.858 -12.271 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 975 3.314 -12.469 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 975 2.482 -13.535 -3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 975 3.189 -14.213 -4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 975 2.259 -11.887 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 975 2.076 -13.599 -6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.655 -12.529 -6.804 1.00 0.00 H new ATOM 949 N LEU A 976 -1.048 -14.132 -2.852 1.00 0.00 N ATOM 950 CA LEU A 976 -1.515 -14.365 -1.497 1.00 0.00 C ATOM 951 C LEU A 976 -2.696 -15.337 -1.529 1.00 0.00 C ATOM 952 O LEU A 976 -3.355 -15.485 -2.557 1.00 0.00 O ATOM 953 CB LEU A 976 -1.831 -13.038 -0.803 1.00 0.00 C ATOM 954 CG LEU A 976 -0.624 -12.227 -0.326 1.00 0.00 C ATOM 955 CD1 LEU A 976 -0.153 -12.702 1.050 1.00 0.00 C ATOM 956 CD2 LEU A 976 0.503 -12.262 -1.360 1.00 0.00 C ATOM 0 H LEU A 976 -1.653 -13.535 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 976 -0.732 -14.833 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -2.410 -12.421 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.469 -13.243 0.057 1.00 0.00 H new ATOM 0 HG LEU A 976 -0.932 -11.187 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 976 0.706 -12.109 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -0.961 -12.583 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 976 0.132 -13.753 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 976 1.349 -11.678 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 976 0.817 -13.293 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 976 0.148 -11.840 -2.300 1.00 0.00 H new ATOM 968 N PRO A 977 -2.934 -15.993 -0.361 1.00 0.00 N ATOM 969 CA PRO A 977 -4.023 -16.947 -0.247 1.00 0.00 C ATOM 970 C PRO A 977 -5.372 -16.231 -0.160 1.00 0.00 C ATOM 971 O PRO A 977 -5.477 -15.053 -0.499 1.00 0.00 O ATOM 972 CB PRO A 977 -3.703 -17.763 0.995 1.00 0.00 C ATOM 973 CG PRO A 977 -2.700 -16.940 1.787 1.00 0.00 C ATOM 974 CD PRO A 977 -2.174 -15.843 0.876 1.00 0.00 C ATOM 0 HA PRO A 977 -4.109 -17.593 -1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -4.603 -17.952 1.581 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -3.287 -18.734 0.728 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -3.172 -16.509 2.670 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -1.882 -17.569 2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -2.324 -14.857 1.316 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -1.104 -15.954 0.699 1.00 0.00 H new ATOM 982 N ALA A 978 -6.371 -16.972 0.297 1.00 0.00 N ATOM 983 CA ALA A 978 -7.709 -16.422 0.434 1.00 0.00 C ATOM 984 C ALA A 978 -7.747 -15.475 1.635 1.00 0.00 C ATOM 985 O ALA A 978 -6.814 -15.444 2.435 1.00 0.00 O ATOM 986 CB ALA A 978 -8.720 -17.564 0.559 1.00 0.00 C ATOM 0 H ALA A 978 -6.281 -17.949 0.577 1.00 0.00 H new ATOM 0 HA ALA A 978 -7.978 -15.843 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -9.724 -17.152 0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -8.674 -18.190 -0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -8.483 -18.165 1.437 1.00 0.00 H new ATOM 992 N SER A 979 -8.836 -14.726 1.723 1.00 0.00 N ATOM 993 CA SER A 979 -9.008 -13.780 2.813 1.00 0.00 C ATOM 994 C SER A 979 -8.017 -12.624 2.664 1.00 0.00 C ATOM 995 O SER A 979 -7.531 -12.086 3.658 1.00 0.00 O ATOM 996 CB SER A 979 -8.826 -14.464 4.169 1.00 0.00 C ATOM 997 OG SER A 979 -9.848 -14.100 5.093 1.00 0.00 O ATOM 0 H SER A 979 -9.608 -14.755 1.057 1.00 0.00 H new ATOM 0 HA SER A 979 -10.024 -13.387 2.768 1.00 0.00 H new ATOM 0 HB2 SER A 979 -8.829 -15.545 4.033 1.00 0.00 H new ATOM 0 HB3 SER A 979 -7.853 -14.198 4.582 1.00 0.00 H new ATOM 0 HG SER A 979 -9.697 -14.559 5.946 1.00 0.00 H new ATOM 1003 N THR A 980 -7.745 -12.276 1.415 1.00 0.00 N ATOM 1004 CA THR A 980 -6.821 -11.194 1.123 1.00 0.00 C ATOM 1005 C THR A 980 -7.558 -10.025 0.468 1.00 0.00 C ATOM 1006 O THR A 980 -7.504 -8.898 0.960 1.00 0.00 O ATOM 1007 CB THR A 980 -5.689 -11.758 0.262 1.00 0.00 C ATOM 1008 OG1 THR A 980 -6.306 -12.810 -0.476 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.617 -12.466 1.093 1.00 0.00 C ATOM 0 H THR A 980 -8.149 -12.725 0.593 1.00 0.00 H new ATOM 0 HA THR A 980 -6.384 -10.790 2.036 1.00 0.00 H new ATOM 0 HB THR A 980 -5.231 -10.950 -0.309 1.00 0.00 H new ATOM 0 HG1 THR A 980 -5.637 -13.492 -0.695 1.00 0.00 H new ATOM 0 HG21 THR A 980 -3.838 -12.847 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 980 -4.180 -11.761 1.800 1.00 0.00 H new ATOM 0 HG23 THR A 980 -5.068 -13.295 1.638 1.00 0.00 H new ATOM 1017 N HIS A 981 -8.230 -10.332 -0.631 1.00 0.00 N ATOM 1018 CA HIS A 981 -8.977 -9.320 -1.359 1.00 0.00 C ATOM 1019 C HIS A 981 -9.838 -8.516 -0.382 1.00 0.00 C ATOM 1020 O HIS A 981 -9.657 -7.308 -0.239 1.00 0.00 O ATOM 1021 CB HIS A 981 -9.795 -9.954 -2.486 1.00 0.00 C ATOM 1022 CG HIS A 981 -10.275 -11.354 -2.184 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -11.513 -11.617 -1.624 1.00 0.00 N ATOM 1024 CD2 HIS A 981 -9.671 -12.562 -2.370 1.00 0.00 C ATOM 1025 CE1 HIS A 981 -11.638 -12.929 -1.484 1.00 0.00 C ATOM 1026 NE2 HIS A 981 -10.495 -13.513 -1.946 1.00 0.00 N ATOM 0 H HIS A 981 -8.273 -11.267 -1.036 1.00 0.00 H new ATOM 0 HA HIS A 981 -8.285 -8.626 -1.837 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -10.658 -9.322 -2.694 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -9.190 -9.976 -3.392 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -8.689 -12.719 -2.791 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -12.494 -13.445 -1.076 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -10.305 -14.515 -1.963 1.00 0.00 H new ATOM 1034 N ARG A 982 -10.756 -9.219 0.265 1.00 0.00 N ATOM 1035 CA ARG A 982 -11.645 -8.586 1.224 1.00 0.00 C ATOM 1036 C ARG A 982 -10.925 -7.441 1.939 1.00 0.00 C ATOM 1037 O ARG A 982 -11.225 -6.271 1.703 1.00 0.00 O ATOM 1038 CB ARG A 982 -12.143 -9.594 2.262 1.00 0.00 C ATOM 1039 CG ARG A 982 -13.520 -9.195 2.797 1.00 0.00 C ATOM 1040 CD ARG A 982 -14.452 -10.406 2.867 1.00 0.00 C ATOM 1041 NE ARG A 982 -15.843 -9.992 2.576 1.00 0.00 N ATOM 1042 CZ ARG A 982 -16.601 -9.267 3.411 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -16.107 -8.872 4.592 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -17.852 -8.937 3.063 1.00 0.00 N ATOM 0 H ARG A 982 -10.903 -10.221 0.144 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.501 -8.195 0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -12.196 -10.586 1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -11.432 -9.654 3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -13.415 -8.754 3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -13.957 -8.432 2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -14.132 -11.163 2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -14.398 -10.860 3.857 1.00 0.00 H new ATOM 0 HE ARG A 982 -16.250 -10.276 1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -15.154 -9.123 4.856 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -16.684 -8.320 5.227 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -18.227 -9.237 2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -18.429 -8.385 3.698 1.00 0.00 H new ATOM 1058 N GLU A 983 -9.990 -7.818 2.799 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.225 -6.837 3.550 1.00 0.00 C ATOM 1060 C GLU A 983 -8.438 -5.935 2.597 1.00 0.00 C ATOM 1061 O GLU A 983 -8.432 -4.715 2.755 1.00 0.00 O ATOM 1062 CB GLU A 983 -8.294 -7.519 4.554 1.00 0.00 C ATOM 1063 CG GLU A 983 -8.991 -7.718 5.901 1.00 0.00 C ATOM 1064 CD GLU A 983 -8.022 -8.281 6.943 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -7.487 -9.381 6.684 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -7.837 -7.598 7.973 1.00 0.00 O ATOM 0 H GLU A 983 -9.745 -8.789 2.992 1.00 0.00 H new ATOM 0 HA GLU A 983 -9.921 -6.217 4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -7.973 -8.484 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -7.396 -6.916 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -9.393 -6.767 6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -9.835 -8.397 5.781 1.00 0.00 H new ATOM 1073 N ILE A 984 -7.793 -6.570 1.630 1.00 0.00 N ATOM 1074 CA ILE A 984 -7.005 -5.840 0.652 1.00 0.00 C ATOM 1075 C ILE A 984 -7.875 -4.760 0.005 1.00 0.00 C ATOM 1076 O ILE A 984 -7.409 -3.648 -0.242 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.372 -6.804 -0.354 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.200 -7.560 0.275 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -5.961 -6.071 -1.633 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.624 -8.588 -0.702 1.00 0.00 C ATOM 0 H ILE A 984 -7.800 -7.582 1.503 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.173 -5.331 1.138 1.00 0.00 H new ATOM 0 HB ILE A 984 -7.121 -7.545 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -4.422 -6.855 0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -5.532 -8.062 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -5.514 -6.779 -2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -6.840 -5.617 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -5.236 -5.294 -1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.792 -9.112 -0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -5.398 -9.306 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -4.271 -8.079 -1.599 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.122 -5.125 -0.251 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.061 -4.201 -0.865 1.00 0.00 C ATOM 1094 C GLU A 985 -10.210 -2.946 -0.004 1.00 0.00 C ATOM 1095 O GLU A 985 -10.128 -1.828 -0.511 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.417 -4.871 -1.096 1.00 0.00 C ATOM 1097 CG GLU A 985 -11.910 -4.632 -2.525 1.00 0.00 C ATOM 1098 CD GLU A 985 -12.772 -3.370 -2.603 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -13.155 -2.877 -1.521 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -13.029 -2.929 -3.744 1.00 0.00 O ATOM 0 H GLU A 985 -9.505 -6.048 -0.045 1.00 0.00 H new ATOM 0 HA GLU A 985 -9.667 -3.906 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -11.334 -5.942 -0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -12.146 -4.480 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -11.057 -4.536 -3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -12.487 -5.493 -2.863 1.00 0.00 H new ATOM 1107 N MET A 986 -10.425 -3.172 1.284 1.00 0.00 N ATOM 1108 CA MET A 986 -10.586 -2.072 2.220 1.00 0.00 C ATOM 1109 C MET A 986 -9.296 -1.258 2.337 1.00 0.00 C ATOM 1110 O MET A 986 -9.315 -0.122 2.808 1.00 0.00 O ATOM 1111 CB MET A 986 -10.968 -2.624 3.595 1.00 0.00 C ATOM 1112 CG MET A 986 -12.472 -2.492 3.840 1.00 0.00 C ATOM 1113 SD MET A 986 -13.079 -3.933 4.702 1.00 0.00 S ATOM 1114 CE MET A 986 -13.268 -5.058 3.330 1.00 0.00 C ATOM 0 H MET A 986 -10.491 -4.100 1.701 1.00 0.00 H new ATOM 0 HA MET A 986 -11.374 -1.417 1.850 1.00 0.00 H new ATOM 0 HB2 MET A 986 -10.675 -3.672 3.664 1.00 0.00 H new ATOM 0 HB3 MET A 986 -10.421 -2.088 4.371 1.00 0.00 H new ATOM 0 HG2 MET A 986 -12.676 -1.595 4.425 1.00 0.00 H new ATOM 0 HG3 MET A 986 -12.995 -2.379 2.890 1.00 0.00 H new ATOM 0 HE1 MET A 986 -14.327 -5.258 3.166 1.00 0.00 H new ATOM 0 HE2 MET A 986 -12.840 -4.612 2.432 1.00 0.00 H new ATOM 0 HE3 MET A 986 -12.753 -5.992 3.552 1.00 0.00 H new ATOM 1124 N ALA A 987 -8.206 -1.871 1.899 1.00 0.00 N ATOM 1125 CA ALA A 987 -6.909 -1.218 1.949 1.00 0.00 C ATOM 1126 C ALA A 987 -6.737 -0.341 0.707 1.00 0.00 C ATOM 1127 O ALA A 987 -6.038 0.670 0.749 1.00 0.00 O ATOM 1128 CB ALA A 987 -5.809 -2.274 2.074 1.00 0.00 C ATOM 0 H ALA A 987 -8.194 -2.813 1.508 1.00 0.00 H new ATOM 0 HA ALA A 987 -6.839 -0.570 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -4.836 -1.784 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -5.960 -2.850 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -5.846 -2.941 1.213 1.00 0.00 H new ATOM 1134 N GLN A 988 -7.386 -0.761 -0.369 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.313 -0.027 -1.621 1.00 0.00 C ATOM 1136 C GLN A 988 -8.182 1.231 -1.550 1.00 0.00 C ATOM 1137 O GLN A 988 -7.754 2.309 -1.958 1.00 0.00 O ATOM 1138 CB GLN A 988 -7.724 -0.911 -2.800 1.00 0.00 C ATOM 1139 CG GLN A 988 -6.894 -2.196 -2.837 1.00 0.00 C ATOM 1140 CD GLN A 988 -5.965 -2.215 -4.052 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -4.864 -1.689 -4.031 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -6.467 -2.847 -5.108 1.00 0.00 N ATOM 0 H GLN A 988 -7.965 -1.600 -0.400 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.279 0.278 -1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -8.782 -1.160 -2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -7.594 -0.363 -3.733 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -6.305 -2.279 -1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -7.557 -3.060 -2.868 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -7.396 -3.265 -5.058 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -5.923 -2.914 -5.968 1.00 0.00 H new ATOM 1151 N LYS A 989 -9.386 1.050 -1.029 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.319 2.157 -0.899 1.00 0.00 C ATOM 1153 C LYS A 989 -9.734 3.202 0.053 1.00 0.00 C ATOM 1154 O LYS A 989 -9.863 4.403 -0.183 1.00 0.00 O ATOM 1155 CB LYS A 989 -11.699 1.648 -0.479 1.00 0.00 C ATOM 1156 CG LYS A 989 -12.599 1.434 -1.698 1.00 0.00 C ATOM 1157 CD LYS A 989 -13.434 0.161 -1.547 1.00 0.00 C ATOM 1158 CE LYS A 989 -14.606 0.155 -2.531 1.00 0.00 C ATOM 1159 NZ LYS A 989 -15.714 0.994 -2.023 1.00 0.00 N ATOM 0 H LYS A 989 -9.738 0.154 -0.692 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.465 2.647 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -11.594 0.712 0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -12.164 2.364 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -13.258 2.293 -1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -11.988 1.368 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -12.806 -0.713 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -13.811 0.087 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -14.276 0.527 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -14.956 -0.866 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -16.514 0.952 -2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -16.017 0.643 -1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -15.391 1.978 -1.933 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.103 2.708 1.108 1.00 0.00 N ATOM 1174 CA LEU A 990 -8.498 3.585 2.096 1.00 0.00 C ATOM 1175 C LEU A 990 -7.497 4.513 1.404 1.00 0.00 C ATOM 1176 O LEU A 990 -7.469 5.713 1.673 1.00 0.00 O ATOM 1177 CB LEU A 990 -7.890 2.767 3.237 1.00 0.00 C ATOM 1178 CG LEU A 990 -8.319 3.166 4.651 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -7.797 2.166 5.685 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -7.888 4.598 4.971 1.00 0.00 C ATOM 0 H LEU A 990 -8.998 1.712 1.300 1.00 0.00 H new ATOM 0 HA LEU A 990 -9.255 4.219 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -8.147 1.719 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -6.804 2.842 3.173 1.00 0.00 H new ATOM 0 HG LEU A 990 -9.408 3.139 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -8.116 2.473 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -8.195 1.175 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -6.708 2.137 5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -8.205 4.856 5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -6.803 4.676 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -8.348 5.284 4.260 1.00 0.00 H new ATOM 1192 N LEU A 991 -6.701 3.922 0.525 1.00 0.00 N ATOM 1193 CA LEU A 991 -5.702 4.681 -0.208 1.00 0.00 C ATOM 1194 C LEU A 991 -6.402 5.700 -1.109 1.00 0.00 C ATOM 1195 O LEU A 991 -6.236 6.906 -0.934 1.00 0.00 O ATOM 1196 CB LEU A 991 -4.759 3.739 -0.960 1.00 0.00 C ATOM 1197 CG LEU A 991 -3.777 4.404 -1.927 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -3.064 5.582 -1.259 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -2.790 3.383 -2.494 1.00 0.00 C ATOM 0 H LEU A 991 -6.728 2.927 0.304 1.00 0.00 H new ATOM 0 HA LEU A 991 -5.071 5.244 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -4.187 3.169 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -5.362 3.024 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 991 -4.343 4.805 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -2.372 6.037 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -3.800 6.322 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -2.512 5.227 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -2.103 3.882 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -2.225 2.931 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -3.337 2.607 -3.030 1.00 0.00 H new ATOM 1211 N ASN A 992 -7.169 5.177 -2.054 1.00 0.00 N ATOM 1212 CA ASN A 992 -7.895 6.026 -2.984 1.00 0.00 C ATOM 1213 C ASN A 992 -8.585 7.150 -2.208 1.00 0.00 C ATOM 1214 O ASN A 992 -8.609 8.295 -2.658 1.00 0.00 O ATOM 1215 CB ASN A 992 -8.972 5.234 -3.728 1.00 0.00 C ATOM 1216 CG ASN A 992 -8.997 5.604 -5.212 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -7.986 5.605 -5.896 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -10.206 5.917 -5.671 1.00 0.00 N ATOM 0 H ASN A 992 -7.304 4.176 -2.196 1.00 0.00 H new ATOM 0 HA ASN A 992 -7.181 6.426 -3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -8.784 4.166 -3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -9.947 5.433 -3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -10.328 6.178 -6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -11.011 5.896 -5.044 1.00 0.00 H new ATOM 1225 N SER A 993 -9.130 6.784 -1.058 1.00 0.00 N ATOM 1226 CA SER A 993 -9.819 7.747 -0.216 1.00 0.00 C ATOM 1227 C SER A 993 -8.898 8.931 0.086 1.00 0.00 C ATOM 1228 O SER A 993 -9.066 10.012 -0.476 1.00 0.00 O ATOM 1229 CB SER A 993 -10.295 7.099 1.086 1.00 0.00 C ATOM 1230 OG SER A 993 -10.992 8.022 1.918 1.00 0.00 O ATOM 0 H SER A 993 -9.109 5.833 -0.689 1.00 0.00 H new ATOM 0 HA SER A 993 -10.697 8.105 -0.754 1.00 0.00 H new ATOM 0 HB2 SER A 993 -10.946 6.256 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 993 -9.437 6.700 1.627 1.00 0.00 H new ATOM 0 HG SER A 993 -11.281 7.570 2.738 1.00 0.00 H new ATOM 1236 N ASP A 994 -7.946 8.687 0.974 1.00 0.00 N ATOM 1237 CA ASP A 994 -6.998 9.720 1.358 1.00 0.00 C ATOM 1238 C ASP A 994 -6.490 10.432 0.102 1.00 0.00 C ATOM 1239 O ASP A 994 -6.248 11.637 0.123 1.00 0.00 O ATOM 1240 CB ASP A 994 -5.792 9.120 2.082 1.00 0.00 C ATOM 1241 CG ASP A 994 -5.761 9.356 3.593 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -6.572 10.189 4.054 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -4.927 8.700 4.254 1.00 0.00 O ATOM 0 H ASP A 994 -7.810 7.789 1.439 1.00 0.00 H new ATOM 0 HA ASP A 994 -7.509 10.415 2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -5.774 8.046 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -4.883 9.534 1.646 1.00 0.00 H new ATOM 1248 N LEU A 995 -6.343 9.655 -0.961 1.00 0.00 N ATOM 1249 CA LEU A 995 -5.868 10.195 -2.223 1.00 0.00 C ATOM 1250 C LEU A 995 -6.857 11.249 -2.726 1.00 0.00 C ATOM 1251 O LEU A 995 -6.532 12.434 -2.783 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.607 9.068 -3.224 1.00 0.00 C ATOM 1253 CG LEU A 995 -4.137 8.740 -3.497 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -3.618 9.515 -4.709 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -3.282 8.983 -2.252 1.00 0.00 C ATOM 0 H LEU A 995 -6.545 8.655 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 995 -4.910 10.696 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -6.099 8.165 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -6.082 9.331 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 995 -4.062 7.680 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -2.571 9.263 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -4.204 9.250 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -3.708 10.585 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -2.242 8.743 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -3.358 10.030 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -3.636 8.350 -1.438 1.00 0.00 H new ATOM 1267 N ALA A 996 -8.044 10.778 -3.080 1.00 0.00 N ATOM 1268 CA ALA A 996 -9.083 11.664 -3.576 1.00 0.00 C ATOM 1269 C ALA A 996 -9.052 12.973 -2.785 1.00 0.00 C ATOM 1270 O ALA A 996 -8.971 14.054 -3.368 1.00 0.00 O ATOM 1271 CB ALA A 996 -10.439 10.962 -3.488 1.00 0.00 C ATOM 0 H ALA A 996 -8.309 9.794 -3.033 1.00 0.00 H new ATOM 0 HA ALA A 996 -8.910 11.908 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -11.218 11.627 -3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -10.419 10.054 -4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -10.648 10.704 -2.450 1.00 0.00 H new ATOM 1277 N GLU A 997 -9.117 12.834 -1.469 1.00 0.00 N ATOM 1278 CA GLU A 997 -9.097 13.993 -0.592 1.00 0.00 C ATOM 1279 C GLU A 997 -7.849 14.838 -0.857 1.00 0.00 C ATOM 1280 O GLU A 997 -7.940 16.055 -1.010 1.00 0.00 O ATOM 1281 CB GLU A 997 -9.171 13.570 0.876 1.00 0.00 C ATOM 1282 CG GLU A 997 -9.572 14.748 1.766 1.00 0.00 C ATOM 1283 CD GLU A 997 -11.005 15.195 1.471 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -11.926 14.539 2.004 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -11.147 16.184 0.720 1.00 0.00 O ATOM 0 H GLU A 997 -9.184 11.937 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.976 14.602 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -9.893 12.762 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -8.204 13.181 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -9.485 14.463 2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -8.887 15.580 1.604 1.00 0.00 H new ATOM 1292 N LEU A 998 -6.712 14.158 -0.904 1.00 0.00 N ATOM 1293 CA LEU A 998 -5.448 14.831 -1.148 1.00 0.00 C ATOM 1294 C LEU A 998 -5.485 15.493 -2.527 1.00 0.00 C ATOM 1295 O LEU A 998 -5.070 16.641 -2.679 1.00 0.00 O ATOM 1296 CB LEU A 998 -4.280 13.860 -0.963 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.893 14.406 -1.310 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -2.709 14.512 -2.826 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -2.637 15.740 -0.607 1.00 0.00 C ATOM 0 H LEU A 998 -6.640 13.148 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 998 -5.292 15.625 -0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -4.269 13.529 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -4.466 12.978 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 998 -2.147 13.701 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -1.715 14.903 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -2.819 13.525 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -3.462 15.184 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -1.645 16.106 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -3.387 16.466 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -2.697 15.600 0.472 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.986 14.741 -3.496 1.00 0.00 N ATOM 1312 CA ILE A 999 -6.083 15.241 -4.857 1.00 0.00 C ATOM 1313 C ILE A 999 -6.934 16.512 -4.869 1.00 0.00 C ATOM 1314 O ILE A 999 -6.607 17.475 -5.562 1.00 0.00 O ATOM 1315 CB ILE A 999 -6.598 14.147 -5.794 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -5.673 12.928 -5.775 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -6.803 14.689 -7.210 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -4.367 13.220 -6.516 1.00 0.00 C ATOM 0 H ILE A 999 -6.329 13.789 -3.366 1.00 0.00 H new ATOM 0 HA ILE A 999 -5.097 15.513 -5.234 1.00 0.00 H new ATOM 0 HB ILE A 999 -7.572 13.818 -5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -5.456 12.648 -4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -6.176 12.078 -6.237 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -7.169 13.891 -7.856 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -7.531 15.500 -7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -5.855 15.063 -7.597 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -3.728 12.338 -6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -4.586 13.476 -7.553 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -3.855 14.054 -6.036 1.00 0.00 H new ATOM 1330 N ASN A1000 -8.008 16.475 -4.095 1.00 0.00 N ATOM 1331 CA ASN A1000 -8.908 17.612 -4.008 1.00 0.00 C ATOM 1332 C ASN A1000 -8.234 18.731 -3.212 1.00 0.00 C ATOM 1333 O ASN A1000 -8.230 19.885 -3.638 1.00 0.00 O ATOM 1334 CB ASN A1000 -10.205 17.235 -3.288 1.00 0.00 C ATOM 1335 CG ASN A1000 -11.243 18.352 -3.407 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -11.556 18.831 -4.485 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -11.757 18.739 -2.244 1.00 0.00 N ATOM 0 H ASN A1000 -8.276 15.675 -3.522 1.00 0.00 H new ATOM 0 HA ASN A1000 -9.140 17.936 -5.023 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -10.606 16.314 -3.712 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -9.997 17.037 -2.236 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -12.458 19.479 -2.217 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -11.450 18.296 -1.378 1.00 0.00 H new ATOM 1344 N LYS A1001 -7.680 18.351 -2.070 1.00 0.00 N ATOM 1345 CA LYS A1001 -7.004 19.308 -1.211 1.00 0.00 C ATOM 1346 C LYS A1001 -5.837 19.937 -1.975 1.00 0.00 C ATOM 1347 O LYS A1001 -5.815 21.147 -2.194 1.00 0.00 O ATOM 1348 CB LYS A1001 -6.593 18.648 0.107 1.00 0.00 C ATOM 1349 CG LYS A1001 -6.991 19.516 1.302 1.00 0.00 C ATOM 1350 CD LYS A1001 -8.464 19.312 1.662 1.00 0.00 C ATOM 1351 CE LYS A1001 -8.953 20.408 2.611 1.00 0.00 C ATOM 1352 NZ LYS A1001 -10.344 20.794 2.283 1.00 0.00 N ATOM 0 H LYS A1001 -7.686 17.393 -1.720 1.00 0.00 H new ATOM 0 HA LYS A1001 -7.680 20.118 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -7.065 17.669 0.191 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -5.515 18.484 0.115 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -6.366 19.269 2.160 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -6.812 20.566 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -9.068 19.316 0.755 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -8.596 18.336 2.129 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -8.900 20.056 3.641 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -8.301 21.278 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -10.661 21.539 2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -10.385 21.150 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -10.965 19.965 2.376 1.00 0.00 H new ATOM 1366 N MET A1002 -4.896 19.087 -2.358 1.00 0.00 N ATOM 1367 CA MET A1002 -3.728 19.545 -3.092 1.00 0.00 C ATOM 1368 C MET A1002 -4.129 20.493 -4.223 1.00 0.00 C ATOM 1369 O MET A1002 -3.379 21.405 -4.569 1.00 0.00 O ATOM 1370 CB MET A1002 -2.987 18.340 -3.674 1.00 0.00 C ATOM 1371 CG MET A1002 -3.563 17.946 -5.035 1.00 0.00 C ATOM 1372 SD MET A1002 -2.773 18.889 -6.329 1.00 0.00 S ATOM 1373 CE MET A1002 -3.646 18.257 -7.751 1.00 0.00 C ATOM 0 H MET A1002 -4.918 18.084 -2.174 1.00 0.00 H new ATOM 0 HA MET A1002 -3.078 20.085 -2.404 1.00 0.00 H new ATOM 0 HB2 MET A1002 -1.928 18.576 -3.778 1.00 0.00 H new ATOM 0 HB3 MET A1002 -3.060 17.497 -2.987 1.00 0.00 H new ATOM 0 HG2 MET A1002 -3.414 16.880 -5.208 1.00 0.00 H new ATOM 0 HG3 MET A1002 -4.638 18.124 -5.049 1.00 0.00 H new ATOM 0 HE1 MET A1002 -2.941 17.765 -8.422 1.00 0.00 H new ATOM 0 HE2 MET A1002 -4.399 17.539 -7.426 1.00 0.00 H new ATOM 0 HE3 MET A1002 -4.132 19.080 -8.275 1.00 0.00 H new ATOM 1383 N LYS A1003 -5.311 20.246 -4.769 1.00 0.00 N ATOM 1384 CA LYS A1003 -5.821 21.067 -5.854 1.00 0.00 C ATOM 1385 C LYS A1003 -6.051 22.491 -5.346 1.00 0.00 C ATOM 1386 O LYS A1003 -5.805 23.458 -6.065 1.00 0.00 O ATOM 1387 CB LYS A1003 -7.064 20.425 -6.473 1.00 0.00 C ATOM 1388 CG LYS A1003 -6.811 20.029 -7.928 1.00 0.00 C ATOM 1389 CD LYS A1003 -8.062 20.247 -8.782 1.00 0.00 C ATOM 1390 CE LYS A1003 -8.308 21.737 -9.023 1.00 0.00 C ATOM 1391 NZ LYS A1003 -8.286 22.039 -10.472 1.00 0.00 N ATOM 0 H LYS A1003 -5.930 19.489 -4.480 1.00 0.00 H new ATOM 0 HA LYS A1003 -5.090 21.131 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.348 19.544 -5.897 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -7.901 21.122 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -5.985 20.616 -8.330 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -6.511 18.982 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -7.949 19.734 -9.737 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -8.927 19.808 -8.285 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -9.270 22.026 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -7.546 22.325 -8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -8.455 23.055 -10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -7.358 21.782 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -9.029 21.492 -10.952 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.521 22.575 -4.110 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.788 23.865 -3.497 1.00 0.00 C ATOM 1407 C LEU A1004 -5.476 24.464 -2.986 1.00 0.00 C ATOM 1408 O LEU A1004 -5.268 25.673 -3.068 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.864 23.734 -2.418 1.00 0.00 C ATOM 1410 CG LEU A1004 -9.071 22.863 -2.777 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -9.763 22.339 -1.517 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -10.039 23.618 -3.690 1.00 0.00 C ATOM 0 H LEU A1004 -6.724 21.771 -3.517 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.191 24.560 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -7.401 23.327 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -8.223 24.732 -2.167 1.00 0.00 H new ATOM 0 HG LEU A1004 -8.714 21.996 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -10.617 21.723 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -9.060 21.740 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -10.106 23.180 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.887 22.977 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -10.394 24.515 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -9.526 23.901 -4.609 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.624 23.589 -2.471 1.00 0.00 N ATOM 1425 CA ALA A1005 -3.338 24.016 -1.948 1.00 0.00 C ATOM 1426 C ALA A1005 -2.682 24.978 -2.940 1.00 0.00 C ATOM 1427 O ALA A1005 -2.063 25.963 -2.539 1.00 0.00 O ATOM 1428 CB ALA A1005 -2.469 22.789 -1.665 1.00 0.00 C ATOM 0 H ALA A1005 -4.800 22.586 -2.405 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.465 24.550 -1.006 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -1.504 23.109 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.966 22.153 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -2.318 22.230 -2.588 1.00 0.00 H new ATOM 1434 N GLN A1006 -2.840 24.660 -4.216 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.271 25.484 -5.269 1.00 0.00 C ATOM 1436 C GLN A1006 -2.672 26.948 -5.073 1.00 0.00 C ATOM 1437 O GLN A1006 -1.849 27.848 -5.231 1.00 0.00 O ATOM 1438 CB GLN A1006 -2.695 24.980 -6.650 1.00 0.00 C ATOM 1439 CG GLN A1006 -1.606 24.103 -7.271 1.00 0.00 C ATOM 1440 CD GLN A1006 -1.965 22.620 -7.159 1.00 0.00 C ATOM 1441 OE1 GLN A1006 -2.973 22.159 -7.669 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -1.087 21.902 -6.465 1.00 0.00 N ATOM 0 H GLN A1006 -3.354 23.843 -4.545 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.185 25.414 -5.211 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -3.621 24.411 -6.565 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -2.901 25.828 -7.303 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -1.473 24.370 -8.319 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -0.655 24.289 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -0.264 22.351 -6.065 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -1.237 20.902 -6.333 1.00 0.00 H new ATOM 1451 N GLN A1007 -3.938 27.140 -4.731 1.00 0.00 N ATOM 1452 CA GLN A1007 -4.459 28.479 -4.512 1.00 0.00 C ATOM 1453 C GLN A1007 -4.326 28.865 -3.037 1.00 0.00 C ATOM 1454 O GLN A1007 -4.167 30.041 -2.712 1.00 0.00 O ATOM 1455 CB GLN A1007 -5.912 28.585 -4.977 1.00 0.00 C ATOM 1456 CG GLN A1007 -6.249 30.016 -5.401 1.00 0.00 C ATOM 1457 CD GLN A1007 -7.636 30.424 -4.900 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -8.590 30.530 -5.653 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -7.694 30.646 -3.590 1.00 0.00 N ATOM 0 H GLN A1007 -4.618 26.391 -4.600 1.00 0.00 H new ATOM 0 HA GLN A1007 -3.870 29.178 -5.106 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -6.081 27.905 -5.812 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -6.579 28.274 -4.173 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -5.500 30.702 -5.006 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -6.213 30.095 -6.488 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -6.857 30.539 -3.017 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -8.576 30.923 -3.158 1.00 0.00 H new ATOM 1468 N TYR A1008 -4.395 27.853 -2.185 1.00 0.00 N ATOM 1469 CA TYR A1008 -4.285 28.072 -0.753 1.00 0.00 C ATOM 1470 C TYR A1008 -2.822 28.044 -0.305 1.00 0.00 C ATOM 1471 O TYR A1008 -2.504 27.508 0.755 1.00 0.00 O ATOM 1472 CB TYR A1008 -5.031 26.912 -0.090 1.00 0.00 C ATOM 1473 CG TYR A1008 -6.536 27.143 0.057 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -7.393 26.775 -0.960 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -7.037 27.720 1.206 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -8.810 26.993 -0.822 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -8.454 27.938 1.344 1.00 0.00 C ATOM 1478 CZ TYR A1008 -9.270 27.563 0.323 1.00 0.00 C ATOM 1479 OH TYR A1008 -10.608 27.769 0.453 1.00 0.00 O ATOM 0 H TYR A1008 -4.526 26.879 -2.459 1.00 0.00 H new ATOM 0 HA TYR A1008 -4.697 29.044 -0.481 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -4.868 26.007 -0.675 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -4.603 26.735 0.897 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -7.001 26.324 -1.859 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -6.366 28.008 2.002 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -9.492 26.710 -1.610 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -8.859 28.389 2.238 1.00 0.00 H new ATOM 0 HH TYR A1008 -10.792 28.182 1.322 1.00 0.00 H new ATOM 1489 N VAL A1009 -1.971 28.628 -1.136 1.00 0.00 N ATOM 1490 CA VAL A1009 -0.549 28.677 -0.839 1.00 0.00 C ATOM 1491 C VAL A1009 -0.062 30.124 -0.937 1.00 0.00 C ATOM 1492 O VAL A1009 0.680 30.593 -0.075 1.00 0.00 O ATOM 1493 CB VAL A1009 0.211 27.726 -1.765 1.00 0.00 C ATOM 1494 CG1 VAL A1009 -0.021 28.087 -3.233 1.00 0.00 C ATOM 1495 CG2 VAL A1009 1.705 27.714 -1.432 1.00 0.00 C ATOM 0 H VAL A1009 -2.239 29.071 -2.015 1.00 0.00 H new ATOM 0 HA VAL A1009 -0.359 28.339 0.180 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.176 26.720 -1.603 1.00 0.00 H new ATOM 0 HG11 VAL A1009 0.531 27.395 -3.869 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -1.085 28.020 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A1009 0.326 29.104 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A1009 2.222 27.030 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A1009 2.112 28.718 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.846 27.386 -0.402 1.00 0.00 H new ATOM 1505 N MET A1010 -0.498 30.791 -1.996 1.00 0.00 N ATOM 1506 CA MET A1010 -0.115 32.175 -2.218 1.00 0.00 C ATOM 1507 C MET A1010 -0.176 32.977 -0.916 1.00 0.00 C ATOM 1508 O MET A1010 0.531 33.971 -0.761 1.00 0.00 O ATOM 1509 CB MET A1010 -1.052 32.805 -3.250 1.00 0.00 C ATOM 1510 CG MET A1010 -2.467 32.237 -3.124 1.00 0.00 C ATOM 1511 SD MET A1010 -3.657 33.567 -3.076 1.00 0.00 S ATOM 1512 CE MET A1010 -4.556 33.126 -1.598 1.00 0.00 C ATOM 0 H MET A1010 -1.113 30.399 -2.709 1.00 0.00 H new ATOM 0 HA MET A1010 0.911 32.194 -2.586 1.00 0.00 H new ATOM 0 HB2 MET A1010 -1.077 33.886 -3.112 1.00 0.00 H new ATOM 0 HB3 MET A1010 -0.670 32.620 -4.254 1.00 0.00 H new ATOM 0 HG2 MET A1010 -2.680 31.578 -3.966 1.00 0.00 H new ATOM 0 HG3 MET A1010 -2.546 31.634 -2.219 1.00 0.00 H new ATOM 0 HE1 MET A1010 -4.706 34.015 -0.985 1.00 0.00 H new ATOM 0 HE2 MET A1010 -5.524 32.706 -1.872 1.00 0.00 H new ATOM 0 HE3 MET A1010 -3.987 32.387 -1.033 1.00 0.00 H new ATOM 1522 N THR A1011 -1.028 32.513 -0.013 1.00 0.00 N ATOM 1523 CA THR A1011 -1.191 33.175 1.271 1.00 0.00 C ATOM 1524 C THR A1011 -0.492 32.377 2.374 1.00 0.00 C ATOM 1525 O THR A1011 0.341 31.518 2.091 1.00 0.00 O ATOM 1526 CB THR A1011 -2.688 33.368 1.516 1.00 0.00 C ATOM 1527 OG1 THR A1011 -2.749 34.062 2.759 1.00 0.00 O ATOM 1528 CG2 THR A1011 -3.412 32.048 1.790 1.00 0.00 C ATOM 0 H THR A1011 -1.612 31.687 -0.145 1.00 0.00 H new ATOM 0 HA THR A1011 -0.718 34.157 1.274 1.00 0.00 H new ATOM 0 HB THR A1011 -3.138 33.855 0.651 1.00 0.00 H new ATOM 0 HG1 THR A1011 -3.685 34.230 2.994 1.00 0.00 H new ATOM 0 HG21 THR A1011 -4.471 32.242 1.957 1.00 0.00 H new ATOM 0 HG22 THR A1011 -3.295 31.384 0.933 1.00 0.00 H new ATOM 0 HG23 THR A1011 -2.986 31.576 2.675 1.00 0.00 H new ATOM 1536 N SER A1012 -0.858 32.691 3.608 1.00 0.00 N ATOM 1537 CA SER A1012 -0.276 32.014 4.755 1.00 0.00 C ATOM 1538 C SER A1012 -0.938 30.648 4.948 1.00 0.00 C ATOM 1539 O SER A1012 -0.326 29.728 5.489 1.00 0.00 O ATOM 1540 CB SER A1012 -0.421 32.857 6.024 1.00 0.00 C ATOM 1541 OG SER A1012 -1.680 32.654 6.660 1.00 0.00 O ATOM 0 H SER A1012 -1.550 33.404 3.839 1.00 0.00 H new ATOM 0 HA SER A1012 0.788 31.872 4.564 1.00 0.00 H new ATOM 0 HB2 SER A1012 0.381 32.607 6.719 1.00 0.00 H new ATOM 0 HB3 SER A1012 -0.308 33.912 5.773 1.00 0.00 H new ATOM 0 HG SER A1012 -1.732 33.208 7.466 1.00 0.00 H new ATOM 1547 N LEU A1013 -2.180 30.559 4.495 1.00 0.00 N ATOM 1548 CA LEU A1013 -2.932 29.321 4.611 1.00 0.00 C ATOM 1549 C LEU A1013 -2.019 28.141 4.272 1.00 0.00 C ATOM 1550 O LEU A1013 -2.219 27.034 4.769 1.00 0.00 O ATOM 1551 CB LEU A1013 -4.200 29.382 3.757 1.00 0.00 C ATOM 1552 CG LEU A1013 -5.490 28.917 4.436 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -5.439 27.419 4.742 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -5.780 29.748 5.688 1.00 0.00 C ATOM 0 H LEU A1013 -2.684 31.324 4.047 1.00 0.00 H new ATOM 0 HA LEU A1013 -3.273 29.177 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -4.339 30.410 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -4.043 28.775 2.865 1.00 0.00 H new ATOM 0 HG LEU A1013 -6.317 29.076 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -6.368 27.114 5.224 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -5.313 26.862 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -4.600 27.212 5.406 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -6.702 29.397 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -4.956 29.643 6.394 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -5.889 30.797 5.411 1.00 0.00 H new ATOM 1566 N GLN A1014 -1.036 28.418 3.428 1.00 0.00 N ATOM 1567 CA GLN A1014 -0.091 27.394 3.017 1.00 0.00 C ATOM 1568 C GLN A1014 0.225 26.462 4.189 1.00 0.00 C ATOM 1569 O GLN A1014 -0.276 25.340 4.247 1.00 0.00 O ATOM 1570 CB GLN A1014 1.187 28.020 2.455 1.00 0.00 C ATOM 1571 CG GLN A1014 2.174 26.941 2.004 1.00 0.00 C ATOM 1572 CD GLN A1014 3.508 27.076 2.741 1.00 0.00 C ATOM 1573 OE1 GLN A1014 3.666 26.652 3.875 1.00 0.00 O ATOM 1574 NE2 GLN A1014 4.456 27.687 2.037 1.00 0.00 N ATOM 0 H GLN A1014 -0.874 29.337 3.017 1.00 0.00 H new ATOM 0 HA GLN A1014 -0.548 26.805 2.222 1.00 0.00 H new ATOM 0 HB2 GLN A1014 0.940 28.666 1.613 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.652 28.649 3.214 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.750 25.954 2.190 1.00 0.00 H new ATOM 0 HG3 GLN A1014 2.338 27.020 0.929 1.00 0.00 H new ATOM 0 HE21 GLN A1014 4.257 28.018 1.093 1.00 0.00 H new ATOM 0 HE22 GLN A1014 5.382 27.825 2.441 1.00 0.00 H new ATOM 1583 N GLN A1015 1.053 26.962 5.094 1.00 0.00 N ATOM 1584 CA GLN A1015 1.442 26.188 6.261 1.00 0.00 C ATOM 1585 C GLN A1015 0.260 25.357 6.764 1.00 0.00 C ATOM 1586 O GLN A1015 0.446 24.255 7.278 1.00 0.00 O ATOM 1587 CB GLN A1015 1.983 27.097 7.367 1.00 0.00 C ATOM 1588 CG GLN A1015 1.054 28.291 7.598 1.00 0.00 C ATOM 1589 CD GLN A1015 0.888 28.575 9.092 1.00 0.00 C ATOM 1590 OE1 GLN A1015 1.567 28.014 9.936 1.00 0.00 O ATOM 1591 NE2 GLN A1015 -0.050 29.476 9.370 1.00 0.00 N ATOM 0 H GLN A1015 1.465 27.893 5.043 1.00 0.00 H new ATOM 0 HA GLN A1015 2.243 25.508 5.971 1.00 0.00 H new ATOM 0 HB2 GLN A1015 2.088 26.529 8.291 1.00 0.00 H new ATOM 0 HB3 GLN A1015 2.978 27.452 7.097 1.00 0.00 H new ATOM 0 HG2 GLN A1015 1.458 29.172 7.099 1.00 0.00 H new ATOM 0 HG3 GLN A1015 0.080 28.090 7.152 1.00 0.00 H new ATOM 0 HE21 GLN A1015 -0.582 29.908 8.615 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -0.237 29.735 10.339 1.00 0.00 H new ATOM 1600 N GLU A1016 -0.929 25.917 6.599 1.00 0.00 N ATOM 1601 CA GLU A1016 -2.141 25.241 7.030 1.00 0.00 C ATOM 1602 C GLU A1016 -2.364 23.973 6.203 1.00 0.00 C ATOM 1603 O GLU A1016 -2.372 22.868 6.744 1.00 0.00 O ATOM 1604 CB GLU A1016 -3.351 26.174 6.940 1.00 0.00 C ATOM 1605 CG GLU A1016 -4.226 26.059 8.190 1.00 0.00 C ATOM 1606 CD GLU A1016 -4.488 27.435 8.804 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -3.607 27.895 9.563 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -5.563 27.997 8.501 1.00 0.00 O ATOM 0 H GLU A1016 -1.079 26.831 6.173 1.00 0.00 H new ATOM 0 HA GLU A1016 -2.022 24.954 8.075 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -3.013 27.203 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -3.939 25.928 6.056 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -5.173 25.585 7.933 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -3.737 25.417 8.923 1.00 0.00 H new ATOM 1615 N TYR A1017 -2.541 24.174 4.905 1.00 0.00 N ATOM 1616 CA TYR A1017 -2.763 23.060 3.999 1.00 0.00 C ATOM 1617 C TYR A1017 -1.594 22.075 4.044 1.00 0.00 C ATOM 1618 O TYR A1017 -1.799 20.862 4.044 1.00 0.00 O ATOM 1619 CB TYR A1017 -2.849 23.668 2.597 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.274 23.771 2.050 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -5.113 24.774 2.492 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -4.721 22.860 1.114 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -6.454 24.871 1.977 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -6.062 22.957 0.599 1.00 0.00 C ATOM 1625 CZ TYR A1017 -6.862 23.958 1.056 1.00 0.00 C ATOM 1626 OH TYR A1017 -8.129 24.049 0.569 1.00 0.00 O ATOM 0 H TYR A1017 -2.535 25.092 4.460 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.666 22.515 4.275 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.405 24.663 2.616 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -2.251 23.065 1.913 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -4.763 25.486 3.225 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -4.065 22.075 0.768 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -7.120 25.651 2.315 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -6.425 22.251 -0.134 1.00 0.00 H new ATOM 0 HH TYR A1017 -8.233 24.894 0.084 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.393 22.633 4.080 1.00 0.00 N ATOM 1637 CA LYS A1018 0.810 21.818 4.125 1.00 0.00 C ATOM 1638 C LYS A1018 0.696 20.812 5.272 1.00 0.00 C ATOM 1639 O LYS A1018 1.177 19.685 5.164 1.00 0.00 O ATOM 1640 CB LYS A1018 2.054 22.704 4.205 1.00 0.00 C ATOM 1641 CG LYS A1018 3.055 22.344 3.104 1.00 0.00 C ATOM 1642 CD LYS A1018 2.407 22.442 1.721 1.00 0.00 C ATOM 1643 CE LYS A1018 3.054 23.552 0.890 1.00 0.00 C ATOM 1644 NZ LYS A1018 2.068 24.142 -0.043 1.00 0.00 N ATOM 0 H LYS A1018 -0.227 23.639 4.079 1.00 0.00 H new ATOM 0 HA LYS A1018 0.916 21.243 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.766 23.751 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.525 22.589 5.181 1.00 0.00 H new ATOM 0 HG2 LYS A1018 3.914 23.013 3.155 1.00 0.00 H new ATOM 0 HG3 LYS A1018 3.429 21.333 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A1018 2.505 21.489 1.201 1.00 0.00 H new ATOM 0 HD3 LYS A1018 1.340 22.638 1.828 1.00 0.00 H new ATOM 0 HE2 LYS A1018 3.448 24.326 1.549 1.00 0.00 H new ATOM 0 HE3 LYS A1018 3.898 23.150 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 2.523 24.894 -0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 1.712 23.404 -0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 1.275 24.543 0.498 1.00 0.00 H new ATOM 1658 N LYS A1019 0.057 21.255 6.345 1.00 0.00 N ATOM 1659 CA LYS A1019 -0.125 20.407 7.511 1.00 0.00 C ATOM 1660 C LYS A1019 -1.273 19.430 7.250 1.00 0.00 C ATOM 1661 O LYS A1019 -1.334 18.362 7.858 1.00 0.00 O ATOM 1662 CB LYS A1019 -0.316 21.259 8.767 1.00 0.00 C ATOM 1663 CG LYS A1019 0.937 21.229 9.645 1.00 0.00 C ATOM 1664 CD LYS A1019 1.936 22.303 9.212 1.00 0.00 C ATOM 1665 CE LYS A1019 2.773 21.827 8.023 1.00 0.00 C ATOM 1666 NZ LYS A1019 3.889 20.972 8.485 1.00 0.00 N ATOM 0 H LYS A1019 -0.341 22.190 6.431 1.00 0.00 H new ATOM 0 HA LYS A1019 0.768 19.809 7.692 1.00 0.00 H new ATOM 0 HB2 LYS A1019 -0.541 22.287 8.483 1.00 0.00 H new ATOM 0 HB3 LYS A1019 -1.171 20.891 9.334 1.00 0.00 H new ATOM 0 HG2 LYS A1019 0.659 21.385 10.687 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.405 20.246 9.584 1.00 0.00 H new ATOM 0 HD2 LYS A1019 1.402 23.214 8.943 1.00 0.00 H new ATOM 0 HD3 LYS A1019 2.592 22.552 10.046 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.144 21.271 7.328 1.00 0.00 H new ATOM 0 HE3 LYS A1019 3.166 22.686 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 4.447 20.657 7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.497 21.514 9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 3.508 20.143 8.983 1.00 0.00 H new ATOM 1680 N GLN A1020 -2.155 19.829 6.346 1.00 0.00 N ATOM 1681 CA GLN A1020 -3.297 19.002 5.997 1.00 0.00 C ATOM 1682 C GLN A1020 -2.844 17.784 5.189 1.00 0.00 C ATOM 1683 O GLN A1020 -3.057 16.646 5.603 1.00 0.00 O ATOM 1684 CB GLN A1020 -4.346 19.809 5.230 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.897 20.949 6.090 1.00 0.00 C ATOM 1686 CD GLN A1020 -5.985 20.444 7.038 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -6.078 19.267 7.348 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -6.802 21.396 7.480 1.00 0.00 N ATOM 0 H GLN A1020 -2.102 20.715 5.844 1.00 0.00 H new ATOM 0 HA GLN A1020 -3.760 18.650 6.919 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -3.904 20.216 4.321 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -5.161 19.154 4.923 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -4.088 21.399 6.666 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -5.303 21.730 5.448 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -6.668 22.362 7.181 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -7.562 21.160 8.118 1.00 0.00 H new ATOM 1697 N MET A1021 -2.227 18.066 4.051 1.00 0.00 N ATOM 1698 CA MET A1021 -1.741 17.008 3.181 1.00 0.00 C ATOM 1699 C MET A1021 -0.799 16.067 3.935 1.00 0.00 C ATOM 1700 O MET A1021 -0.790 14.862 3.687 1.00 0.00 O ATOM 1701 CB MET A1021 -1.003 17.624 1.991 1.00 0.00 C ATOM 1702 CG MET A1021 0.302 18.285 2.438 1.00 0.00 C ATOM 1703 SD MET A1021 1.617 17.078 2.474 1.00 0.00 S ATOM 1704 CE MET A1021 1.543 16.489 0.790 1.00 0.00 C ATOM 0 H MET A1021 -2.052 19.012 3.711 1.00 0.00 H new ATOM 0 HA MET A1021 -2.596 16.431 2.830 1.00 0.00 H new ATOM 0 HB2 MET A1021 -0.789 16.852 1.252 1.00 0.00 H new ATOM 0 HB3 MET A1021 -1.641 18.362 1.505 1.00 0.00 H new ATOM 0 HG2 MET A1021 0.560 19.096 1.757 1.00 0.00 H new ATOM 0 HG3 MET A1021 0.176 18.727 3.426 1.00 0.00 H new ATOM 0 HE1 MET A1021 2.552 16.289 0.430 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.955 15.572 0.751 1.00 0.00 H new ATOM 0 HE3 MET A1021 1.076 17.246 0.160 1.00 0.00 H new ATOM 1714 N LEU A1022 -0.029 16.653 4.840 1.00 0.00 N ATOM 1715 CA LEU A1022 0.915 15.882 5.631 1.00 0.00 C ATOM 1716 C LEU A1022 0.159 14.806 6.413 1.00 0.00 C ATOM 1717 O LEU A1022 0.548 13.640 6.405 1.00 0.00 O ATOM 1718 CB LEU A1022 1.756 16.807 6.514 1.00 0.00 C ATOM 1719 CG LEU A1022 2.814 16.126 7.384 1.00 0.00 C ATOM 1720 CD1 LEU A1022 2.162 15.235 8.443 1.00 0.00 C ATOM 1721 CD2 LEU A1022 3.816 15.353 6.524 1.00 0.00 C ATOM 0 H LEU A1022 -0.040 17.653 5.043 1.00 0.00 H new ATOM 0 HA LEU A1022 1.624 15.367 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A1022 2.255 17.534 5.873 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.083 17.365 7.165 1.00 0.00 H new ATOM 0 HG LEU A1022 3.371 16.900 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A1022 2.936 14.763 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A1022 1.520 15.841 9.083 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.564 14.466 7.954 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.557 14.878 7.167 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.290 14.589 5.951 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.315 16.040 5.841 1.00 0.00 H new ATOM 1733 N THR A1023 -0.908 15.237 7.070 1.00 0.00 N ATOM 1734 CA THR A1023 -1.722 14.325 7.855 1.00 0.00 C ATOM 1735 C THR A1023 -2.105 13.100 7.022 1.00 0.00 C ATOM 1736 O THR A1023 -2.028 11.970 7.503 1.00 0.00 O ATOM 1737 CB THR A1023 -2.930 15.103 8.381 1.00 0.00 C ATOM 1738 OG1 THR A1023 -2.361 16.264 8.980 1.00 0.00 O ATOM 1739 CG2 THR A1023 -3.627 14.389 9.541 1.00 0.00 C ATOM 0 H THR A1023 -1.227 16.206 7.075 1.00 0.00 H new ATOM 0 HA THR A1023 -1.168 13.938 8.710 1.00 0.00 H new ATOM 0 HB THR A1023 -3.642 15.259 7.570 1.00 0.00 H new ATOM 0 HG1 THR A1023 -2.396 17.010 8.346 1.00 0.00 H new ATOM 0 HG21 THR A1023 -4.477 14.984 9.876 1.00 0.00 H new ATOM 0 HG22 THR A1023 -3.976 13.411 9.209 1.00 0.00 H new ATOM 0 HG23 THR A1023 -2.925 14.263 10.365 1.00 0.00 H new ATOM 1747 N ALA A1024 -2.508 13.365 5.789 1.00 0.00 N ATOM 1748 CA ALA A1024 -2.903 12.298 4.885 1.00 0.00 C ATOM 1749 C ALA A1024 -1.682 11.436 4.556 1.00 0.00 C ATOM 1750 O ALA A1024 -1.775 10.210 4.522 1.00 0.00 O ATOM 1751 CB ALA A1024 -3.545 12.900 3.633 1.00 0.00 C ATOM 0 H ALA A1024 -2.570 14.303 5.394 1.00 0.00 H new ATOM 0 HA ALA A1024 -3.646 11.653 5.355 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -3.841 12.099 2.955 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -4.424 13.479 3.917 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -2.828 13.551 3.134 1.00 0.00 H new ATOM 1757 N ALA A1025 -0.566 12.111 4.323 1.00 0.00 N ATOM 1758 CA ALA A1025 0.671 11.423 3.999 1.00 0.00 C ATOM 1759 C ALA A1025 1.015 10.444 5.124 1.00 0.00 C ATOM 1760 O ALA A1025 1.566 9.373 4.873 1.00 0.00 O ATOM 1761 CB ALA A1025 1.780 12.450 3.761 1.00 0.00 C ATOM 0 H ALA A1025 -0.493 13.128 4.352 1.00 0.00 H new ATOM 0 HA ALA A1025 0.559 10.845 3.081 1.00 0.00 H new ATOM 0 HB1 ALA A1025 2.708 11.933 3.518 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.500 13.102 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.922 13.047 4.662 1.00 0.00 H new ATOM 1767 N HIS A1026 0.676 10.847 6.339 1.00 0.00 N ATOM 1768 CA HIS A1026 0.942 10.019 7.503 1.00 0.00 C ATOM 1769 C HIS A1026 0.036 8.786 7.474 1.00 0.00 C ATOM 1770 O HIS A1026 0.512 7.658 7.594 1.00 0.00 O ATOM 1771 CB HIS A1026 0.797 10.830 8.792 1.00 0.00 C ATOM 1772 CG HIS A1026 1.721 10.390 9.903 1.00 0.00 C ATOM 1773 ND1 HIS A1026 1.360 10.430 11.238 1.00 0.00 N ATOM 1774 CD2 HIS A1026 2.992 9.898 9.862 1.00 0.00 C ATOM 1775 CE1 HIS A1026 2.377 9.982 11.960 1.00 0.00 C ATOM 1776 NE2 HIS A1026 3.388 9.653 11.105 1.00 0.00 N ATOM 0 H HIS A1026 0.219 11.736 6.543 1.00 0.00 H new ATOM 0 HA HIS A1026 1.974 9.670 7.476 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.986 11.881 8.571 1.00 0.00 H new ATOM 0 HB3 HIS A1026 -0.233 10.758 9.140 1.00 0.00 H new ATOM 0 HD2 HIS A1026 3.577 9.735 8.969 1.00 0.00 H new ATOM 0 HE1 HIS A1026 2.401 9.893 13.036 1.00 0.00 H new ATOM 0 HE2 HIS A1026 4.298 9.280 11.376 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.254 9.043 7.314 1.00 0.00 N ATOM 1785 CA ALA A1027 -2.231 7.968 7.268 1.00 0.00 C ATOM 1786 C ALA A1027 -1.991 7.121 6.017 1.00 0.00 C ATOM 1787 O ALA A1027 -2.181 5.906 6.040 1.00 0.00 O ATOM 1788 CB ALA A1027 -3.642 8.559 7.311 1.00 0.00 C ATOM 0 H ALA A1027 -1.645 9.980 7.215 1.00 0.00 H new ATOM 0 HA ALA A1027 -2.125 7.314 8.134 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -4.375 7.753 7.276 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -3.771 9.127 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -3.787 9.218 6.455 1.00 0.00 H new ATOM 1794 N LEU A1028 -1.578 7.796 4.954 1.00 0.00 N ATOM 1795 CA LEU A1028 -1.311 7.120 3.696 1.00 0.00 C ATOM 1796 C LEU A1028 -0.228 6.060 3.911 1.00 0.00 C ATOM 1797 O LEU A1028 -0.491 4.865 3.790 1.00 0.00 O ATOM 1798 CB LEU A1028 -0.968 8.135 2.604 1.00 0.00 C ATOM 1799 CG LEU A1028 -2.159 8.799 1.908 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -1.708 9.566 0.664 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -3.247 7.772 1.586 1.00 0.00 C ATOM 0 H LEU A1028 -1.422 8.804 4.938 1.00 0.00 H new ATOM 0 HA LEU A1028 -2.203 6.600 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -0.348 8.916 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -0.363 7.635 1.848 1.00 0.00 H new ATOM 0 HG LEU A1028 -2.595 9.526 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -2.573 10.028 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -0.996 10.339 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -1.234 8.878 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -4.082 8.269 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -2.840 7.005 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -3.595 7.309 2.509 1.00 0.00 H new ATOM 1813 N ALA A1029 0.967 6.537 4.227 1.00 0.00 N ATOM 1814 CA ALA A1029 2.091 5.646 4.461 1.00 0.00 C ATOM 1815 C ALA A1029 1.606 4.408 5.218 1.00 0.00 C ATOM 1816 O ALA A1029 2.036 3.292 4.931 1.00 0.00 O ATOM 1817 CB ALA A1029 3.190 6.397 5.214 1.00 0.00 C ATOM 0 H ALA A1029 1.181 7.529 4.327 1.00 0.00 H new ATOM 0 HA ALA A1029 2.516 5.308 3.516 1.00 0.00 H new ATOM 0 HB1 ALA A1029 4.033 5.729 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A1029 3.520 7.250 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.801 6.749 6.170 1.00 0.00 H new ATOM 1823 N VAL A1030 0.716 4.648 6.171 1.00 0.00 N ATOM 1824 CA VAL A1030 0.168 3.566 6.972 1.00 0.00 C ATOM 1825 C VAL A1030 -0.837 2.774 6.132 1.00 0.00 C ATOM 1826 O VAL A1030 -0.732 1.554 6.021 1.00 0.00 O ATOM 1827 CB VAL A1030 -0.438 4.125 8.261 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -1.449 3.145 8.860 1.00 0.00 C ATOM 1829 CG2 VAL A1030 0.654 4.475 9.273 1.00 0.00 C ATOM 0 H VAL A1030 0.361 5.575 6.406 1.00 0.00 H new ATOM 0 HA VAL A1030 0.956 2.875 7.272 1.00 0.00 H new ATOM 0 HB VAL A1030 -0.969 5.044 8.012 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -1.865 3.566 9.775 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -2.252 2.968 8.144 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -0.951 2.202 9.088 1.00 0.00 H new ATOM 0 HG21 VAL A1030 0.196 4.870 10.180 1.00 0.00 H new ATOM 0 HG22 VAL A1030 1.226 3.579 9.516 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.319 5.225 8.846 1.00 0.00 H new ATOM 1839 N ASP A1031 -1.787 3.502 5.564 1.00 0.00 N ATOM 1840 CA ASP A1031 -2.810 2.883 4.738 1.00 0.00 C ATOM 1841 C ASP A1031 -2.155 1.871 3.795 1.00 0.00 C ATOM 1842 O ASP A1031 -2.534 0.701 3.774 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.533 3.925 3.883 1.00 0.00 C ATOM 1844 CG ASP A1031 -4.342 4.958 4.671 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -4.658 4.658 5.842 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -4.625 6.025 4.083 1.00 0.00 O ATOM 0 H ASP A1031 -1.870 4.514 5.659 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.528 2.397 5.399 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -2.796 4.450 3.275 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -4.203 3.408 3.196 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.182 2.358 3.039 1.00 0.00 N ATOM 1852 CA ALA A1032 -0.471 1.511 2.097 1.00 0.00 C ATOM 1853 C ALA A1032 0.142 0.326 2.845 1.00 0.00 C ATOM 1854 O ALA A1032 0.220 -0.778 2.308 1.00 0.00 O ATOM 1855 CB ALA A1032 0.582 2.341 1.358 1.00 0.00 C ATOM 0 H ALA A1032 -0.869 3.329 3.060 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.155 1.111 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A1032 1.116 1.706 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.093 3.153 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A1032 1.288 2.757 2.077 1.00 0.00 H new ATOM 1861 N LYS A1033 0.560 0.594 4.073 1.00 0.00 N ATOM 1862 CA LYS A1033 1.163 -0.437 4.900 1.00 0.00 C ATOM 1863 C LYS A1033 0.089 -1.446 5.313 1.00 0.00 C ATOM 1864 O LYS A1033 0.264 -2.651 5.136 1.00 0.00 O ATOM 1865 CB LYS A1033 1.903 0.190 6.083 1.00 0.00 C ATOM 1866 CG LYS A1033 3.124 -0.646 6.471 1.00 0.00 C ATOM 1867 CD LYS A1033 4.330 -0.296 5.596 1.00 0.00 C ATOM 1868 CE LYS A1033 5.121 -1.552 5.225 1.00 0.00 C ATOM 1869 NZ LYS A1033 6.329 -1.193 4.449 1.00 0.00 N ATOM 0 H LYS A1033 0.493 1.511 4.515 1.00 0.00 H new ATOM 0 HA LYS A1033 1.917 -0.985 4.335 1.00 0.00 H new ATOM 0 HB2 LYS A1033 2.217 1.201 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A1033 1.229 0.273 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A1033 3.369 -0.474 7.519 1.00 0.00 H new ATOM 0 HG3 LYS A1033 2.891 -1.706 6.368 1.00 0.00 H new ATOM 0 HD2 LYS A1033 3.993 0.207 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A1033 4.978 0.403 6.126 1.00 0.00 H new ATOM 0 HE2 LYS A1033 5.409 -2.088 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A1033 4.493 -2.225 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 6.854 -2.057 4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 6.048 -0.701 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 6.935 -0.569 5.019 1.00 0.00 H new ATOM 1883 N ASN A1034 -0.998 -0.918 5.855 1.00 0.00 N ATOM 1884 CA ASN A1034 -2.100 -1.757 6.293 1.00 0.00 C ATOM 1885 C ASN A1034 -2.462 -2.740 5.178 1.00 0.00 C ATOM 1886 O ASN A1034 -2.844 -3.877 5.447 1.00 0.00 O ATOM 1887 CB ASN A1034 -3.340 -0.919 6.607 1.00 0.00 C ATOM 1888 CG ASN A1034 -4.035 -1.420 7.875 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -3.476 -2.158 8.670 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -5.281 -0.979 8.020 1.00 0.00 N ATOM 0 H ASN A1034 -1.139 0.082 6.001 1.00 0.00 H new ATOM 0 HA ASN A1034 -1.785 -2.284 7.193 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -3.055 0.125 6.733 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -4.034 -0.961 5.767 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -5.829 -1.257 8.834 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -5.689 -0.363 7.317 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.330 -2.264 3.948 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.639 -3.086 2.791 1.00 0.00 C ATOM 1899 C LEU A1035 -1.750 -4.331 2.803 1.00 0.00 C ATOM 1900 O LEU A1035 -2.235 -5.443 3.010 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.528 -2.264 1.505 1.00 0.00 C ATOM 1902 CG LEU A1035 -3.246 -2.835 0.280 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -3.904 -1.722 -0.538 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -2.295 -3.683 -0.567 1.00 0.00 C ATOM 0 H LEU A1035 -2.013 -1.320 3.728 1.00 0.00 H new ATOM 0 HA LEU A1035 -3.672 -3.431 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -2.921 -1.266 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.472 -2.148 1.261 1.00 0.00 H new ATOM 0 HG LEU A1035 -4.042 -3.494 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -4.407 -2.155 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -4.632 -1.198 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -3.142 -1.020 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -2.830 -4.077 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -1.462 -3.067 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -1.914 -4.510 0.032 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.464 -4.104 2.578 1.00 0.00 N ATOM 1917 CA LEU A1036 0.497 -5.193 2.561 1.00 0.00 C ATOM 1918 C LEU A1036 0.472 -5.911 3.912 1.00 0.00 C ATOM 1919 O LEU A1036 0.639 -7.128 3.975 1.00 0.00 O ATOM 1920 CB LEU A1036 1.882 -4.679 2.163 1.00 0.00 C ATOM 1921 CG LEU A1036 2.636 -5.517 1.128 1.00 0.00 C ATOM 1922 CD1 LEU A1036 2.620 -4.839 -0.243 1.00 0.00 C ATOM 1923 CD2 LEU A1036 4.059 -5.821 1.600 1.00 0.00 C ATOM 0 H LEU A1036 -0.065 -3.181 2.406 1.00 0.00 H new ATOM 0 HA LEU A1036 0.226 -5.929 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.774 -3.667 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A1036 2.495 -4.610 3.062 1.00 0.00 H new ATOM 0 HG LEU A1036 2.121 -6.472 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A1036 3.163 -5.455 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A1036 1.589 -4.717 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A1036 3.097 -3.861 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.573 -6.418 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.599 -4.887 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A1036 4.021 -6.376 2.538 1.00 0.00 H new ATOM 1935 N ASP A1037 0.263 -5.127 4.959 1.00 0.00 N ATOM 1936 CA ASP A1037 0.214 -5.672 6.305 1.00 0.00 C ATOM 1937 C ASP A1037 -0.706 -6.895 6.322 1.00 0.00 C ATOM 1938 O ASP A1037 -0.430 -7.873 7.014 1.00 0.00 O ATOM 1939 CB ASP A1037 -0.344 -4.647 7.295 1.00 0.00 C ATOM 1940 CG ASP A1037 -0.181 -5.019 8.770 1.00 0.00 C ATOM 1941 OD1 ASP A1037 0.376 -6.108 9.023 1.00 0.00 O ATOM 1942 OD2 ASP A1037 -0.619 -4.204 9.611 1.00 0.00 O ATOM 0 H ASP A1037 0.126 -4.118 4.902 1.00 0.00 H new ATOM 0 HA ASP A1037 1.229 -5.940 6.597 1.00 0.00 H new ATOM 0 HB2 ASP A1037 0.148 -3.690 7.120 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -1.404 -4.503 7.087 1.00 0.00 H new ATOM 1947 N VAL A1038 -1.779 -6.799 5.551 1.00 0.00 N ATOM 1948 CA VAL A1038 -2.741 -7.885 5.469 1.00 0.00 C ATOM 1949 C VAL A1038 -2.193 -8.977 4.548 1.00 0.00 C ATOM 1950 O VAL A1038 -2.559 -10.144 4.677 1.00 0.00 O ATOM 1951 CB VAL A1038 -4.100 -7.347 5.016 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -4.916 -8.438 4.319 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -4.874 -6.752 6.194 1.00 0.00 C ATOM 0 H VAL A1038 -2.004 -5.986 4.977 1.00 0.00 H new ATOM 0 HA VAL A1038 -2.895 -8.334 6.450 1.00 0.00 H new ATOM 0 HB VAL A1038 -3.922 -6.549 4.295 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -5.877 -8.030 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -4.373 -8.796 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -5.080 -9.266 5.008 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -5.836 -6.377 5.845 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -5.037 -7.522 6.948 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -4.301 -5.933 6.629 1.00 0.00 H new ATOM 1963 N ILE A1039 -1.324 -8.559 3.639 1.00 0.00 N ATOM 1964 CA ILE A1039 -0.722 -9.487 2.697 1.00 0.00 C ATOM 1965 C ILE A1039 0.247 -10.407 3.442 1.00 0.00 C ATOM 1966 O ILE A1039 0.093 -11.627 3.417 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.079 -8.728 1.534 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -1.120 -8.367 0.473 1.00 0.00 C ATOM 1969 CG2 ILE A1039 1.091 -9.518 0.945 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -0.536 -7.400 -0.560 1.00 0.00 C ATOM 0 H ILE A1039 -1.023 -7.590 3.535 1.00 0.00 H new ATOM 0 HA ILE A1039 -1.485 -10.124 2.249 1.00 0.00 H new ATOM 0 HB ILE A1039 0.326 -7.792 1.918 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.466 -9.273 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -1.989 -7.914 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A1039 1.530 -8.957 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.845 -9.681 1.715 1.00 0.00 H new ATOM 0 HG23 ILE A1039 0.733 -10.480 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.296 -7.159 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -0.213 -6.486 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A1039 0.318 -7.865 -1.052 1.00 0.00 H new ATOM 1982 N ASP A1040 1.224 -9.787 4.087 1.00 0.00 N ATOM 1983 CA ASP A1040 2.218 -10.535 4.838 1.00 0.00 C ATOM 1984 C ASP A1040 1.514 -11.580 5.706 1.00 0.00 C ATOM 1985 O ASP A1040 1.839 -12.765 5.643 1.00 0.00 O ATOM 1986 CB ASP A1040 3.018 -9.614 5.762 1.00 0.00 C ATOM 1987 CG ASP A1040 4.488 -9.996 5.940 1.00 0.00 C ATOM 1988 OD1 ASP A1040 4.737 -10.959 6.698 1.00 0.00 O ATOM 1989 OD2 ASP A1040 5.331 -9.317 5.314 1.00 0.00 O ATOM 0 H ASP A1040 1.349 -8.775 4.105 1.00 0.00 H new ATOM 0 HA ASP A1040 2.895 -11.007 4.126 1.00 0.00 H new ATOM 0 HB2 ASP A1040 2.967 -8.598 5.370 1.00 0.00 H new ATOM 0 HB3 ASP A1040 2.540 -9.603 6.742 1.00 0.00 H new ATOM 1994 N GLN A1041 0.564 -11.103 6.497 1.00 0.00 N ATOM 1995 CA GLN A1041 -0.188 -11.982 7.377 1.00 0.00 C ATOM 1996 C GLN A1041 -1.001 -12.986 6.556 1.00 0.00 C ATOM 1997 O GLN A1041 -1.264 -14.097 7.013 1.00 0.00 O ATOM 1998 CB GLN A1041 -1.092 -11.178 8.312 1.00 0.00 C ATOM 1999 CG GLN A1041 -2.238 -10.523 7.538 1.00 0.00 C ATOM 2000 CD GLN A1041 -3.055 -9.600 8.445 1.00 0.00 C ATOM 2001 OE1 GLN A1041 -2.563 -8.623 8.985 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -4.327 -9.963 8.581 1.00 0.00 N ATOM 0 H GLN A1041 0.298 -10.120 6.547 1.00 0.00 H new ATOM 0 HA GLN A1041 0.518 -12.536 7.996 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -1.497 -11.833 9.084 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -0.506 -10.411 8.819 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -1.837 -9.953 6.700 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -2.885 -11.293 7.119 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -4.675 -10.793 8.101 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -4.955 -9.412 9.166 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.376 -12.557 5.360 1.00 0.00 N ATOM 2012 CA ALA A1042 -2.154 -13.404 4.472 1.00 0.00 C ATOM 2013 C ALA A1042 -1.271 -14.543 3.957 1.00 0.00 C ATOM 2014 O ALA A1042 -1.653 -15.710 4.028 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.734 -12.558 3.337 1.00 0.00 C ATOM 0 H ALA A1042 -1.156 -11.634 4.985 1.00 0.00 H new ATOM 0 HA ALA A1042 -2.992 -13.852 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -3.318 -13.194 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.376 -11.782 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -1.922 -12.095 2.777 1.00 0.00 H new ATOM 2021 N ARG A1043 -0.107 -14.163 3.451 1.00 0.00 N ATOM 2022 CA ARG A1043 0.834 -15.138 2.924 1.00 0.00 C ATOM 2023 C ARG A1043 0.954 -16.328 3.878 1.00 0.00 C ATOM 2024 O ARG A1043 0.538 -17.437 3.548 1.00 0.00 O ATOM 2025 CB ARG A1043 2.216 -14.515 2.720 1.00 0.00 C ATOM 2026 CG ARG A1043 3.012 -15.281 1.662 1.00 0.00 C ATOM 2027 CD ARG A1043 4.127 -14.412 1.078 1.00 0.00 C ATOM 2028 NE ARG A1043 5.393 -14.658 1.804 1.00 0.00 N ATOM 2029 CZ ARG A1043 5.721 -14.070 2.963 1.00 0.00 C ATOM 2030 NH1 ARG A1043 4.879 -13.198 3.533 1.00 0.00 N ATOM 2031 NH2 ARG A1043 6.892 -14.354 3.550 1.00 0.00 N ATOM 0 H ARG A1043 0.206 -13.194 3.395 1.00 0.00 H new ATOM 0 HA ARG A1043 0.455 -15.477 1.960 1.00 0.00 H new ATOM 0 HB2 ARG A1043 2.108 -13.474 2.416 1.00 0.00 H new ATOM 0 HB3 ARG A1043 2.762 -14.517 3.663 1.00 0.00 H new ATOM 0 HG2 ARG A1043 3.441 -16.180 2.105 1.00 0.00 H new ATOM 0 HG3 ARG A1043 2.344 -15.606 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A1043 4.256 -14.635 0.019 1.00 0.00 H new ATOM 0 HD3 ARG A1043 3.855 -13.359 1.151 1.00 0.00 H new ATOM 0 HE ARG A1043 6.057 -15.316 1.397 1.00 0.00 H new ATOM 0 HH11 ARG A1043 3.989 -12.982 3.085 1.00 0.00 H new ATOM 0 HH12 ARG A1043 5.128 -12.750 4.415 1.00 0.00 H new ATOM 0 HH21 ARG A1043 7.533 -15.017 3.115 1.00 0.00 H new ATOM 0 HH22 ARG A1043 7.142 -13.907 4.432 1.00 0.00 H new ATOM 2045 N LEU A1044 1.526 -16.057 5.042 1.00 0.00 N ATOM 2046 CA LEU A1044 1.707 -17.091 6.046 1.00 0.00 C ATOM 2047 C LEU A1044 0.447 -17.957 6.113 1.00 0.00 C ATOM 2048 O LEU A1044 0.534 -19.182 6.172 1.00 0.00 O ATOM 2049 CB LEU A1044 2.100 -16.472 7.389 1.00 0.00 C ATOM 2050 CG LEU A1044 1.303 -15.239 7.818 1.00 0.00 C ATOM 2051 CD1 LEU A1044 0.162 -15.624 8.762 1.00 0.00 C ATOM 2052 CD2 LEU A1044 2.220 -14.179 8.430 1.00 0.00 C ATOM 0 H LEU A1044 1.870 -15.136 5.312 1.00 0.00 H new ATOM 0 HA LEU A1044 2.532 -17.748 5.771 1.00 0.00 H new ATOM 0 HB2 LEU A1044 1.997 -17.234 8.162 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.155 -16.202 7.347 1.00 0.00 H new ATOM 0 HG LEU A1044 0.851 -14.799 6.929 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -0.388 -14.729 9.052 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -0.511 -16.316 8.256 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.572 -16.102 9.652 1.00 0.00 H new ATOM 0 HD21 LEU A1044 1.628 -13.313 8.726 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.721 -14.593 9.305 1.00 0.00 H new ATOM 0 HD23 LEU A1044 2.965 -13.875 7.695 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.695 -17.285 6.102 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.971 -17.977 6.161 1.00 0.00 C ATOM 2066 C LYS A1045 -1.900 -19.242 5.304 1.00 0.00 C ATOM 2067 O LYS A1045 -2.565 -20.234 5.599 1.00 0.00 O ATOM 2068 CB LYS A1045 -3.111 -17.033 5.772 1.00 0.00 C ATOM 2069 CG LYS A1045 -4.402 -17.401 6.505 1.00 0.00 C ATOM 2070 CD LYS A1045 -4.785 -16.321 7.519 1.00 0.00 C ATOM 2071 CE LYS A1045 -6.055 -16.707 8.278 1.00 0.00 C ATOM 2072 NZ LYS A1045 -5.716 -17.260 9.609 1.00 0.00 N ATOM 0 H LYS A1045 -0.763 -16.268 6.053 1.00 0.00 H new ATOM 0 HA LYS A1045 -2.186 -18.295 7.181 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -2.834 -16.006 6.009 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -3.274 -17.079 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -5.209 -17.530 5.784 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -4.275 -18.355 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -3.967 -16.173 8.224 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -4.939 -15.372 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -6.696 -15.833 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -6.619 -17.443 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -6.590 -17.517 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -5.122 -18.106 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -5.198 -16.546 10.160 1.00 0.00 H new ATOM 2086 N MET A1046 -1.088 -19.167 4.261 1.00 0.00 N ATOM 2087 CA MET A1046 -0.921 -20.294 3.359 1.00 0.00 C ATOM 2088 C MET A1046 0.230 -21.193 3.812 1.00 0.00 C ATOM 2089 O MET A1046 0.043 -22.391 4.017 1.00 0.00 O ATOM 2090 CB MET A1046 -0.642 -19.780 1.945 1.00 0.00 C ATOM 2091 CG MET A1046 -0.033 -20.879 1.072 1.00 0.00 C ATOM 2092 SD MET A1046 0.144 -20.298 -0.606 1.00 0.00 S ATOM 2093 CE MET A1046 0.753 -18.648 -0.301 1.00 0.00 C ATOM 0 H MET A1046 -0.538 -18.343 4.020 1.00 0.00 H new ATOM 0 HA MET A1046 -1.840 -20.880 3.367 1.00 0.00 H new ATOM 0 HB2 MET A1046 -1.568 -19.424 1.494 1.00 0.00 H new ATOM 0 HB3 MET A1046 0.037 -18.929 1.991 1.00 0.00 H new ATOM 0 HG2 MET A1046 0.939 -21.173 1.468 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.667 -21.765 1.094 1.00 0.00 H new ATOM 0 HE1 MET A1046 1.183 -18.244 -1.217 1.00 0.00 H new ATOM 0 HE2 MET A1046 -0.069 -18.011 0.026 1.00 0.00 H new ATOM 0 HE3 MET A1046 1.518 -18.680 0.475 1.00 0.00 H new ATOM 2103 N ILE A1047 1.396 -20.580 3.955 1.00 0.00 N ATOM 2104 CA ILE A1047 2.579 -21.311 4.380 1.00 0.00 C ATOM 2105 C ILE A1047 2.218 -22.212 5.562 1.00 0.00 C ATOM 2106 O ILE A1047 2.068 -23.422 5.402 1.00 0.00 O ATOM 2107 CB ILE A1047 3.729 -20.345 4.670 1.00 0.00 C ATOM 2108 CG1 ILE A1047 4.339 -19.812 3.372 1.00 0.00 C ATOM 2109 CG2 ILE A1047 4.779 -20.998 5.571 1.00 0.00 C ATOM 2110 CD1 ILE A1047 4.202 -18.290 3.287 1.00 0.00 C ATOM 0 H ILE A1047 1.547 -19.586 3.784 1.00 0.00 H new ATOM 0 HA ILE A1047 2.934 -21.961 3.581 1.00 0.00 H new ATOM 0 HB ILE A1047 3.327 -19.489 5.212 1.00 0.00 H new ATOM 0 HG12 ILE A1047 5.392 -20.090 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A1047 3.845 -20.274 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A1047 5.586 -20.290 5.762 1.00 0.00 H new ATOM 0 HG22 ILE A1047 4.319 -21.287 6.516 1.00 0.00 H new ATOM 0 HG23 ILE A1047 5.182 -21.883 5.078 1.00 0.00 H new ATOM 0 HD11 ILE A1047 4.643 -17.936 2.355 1.00 0.00 H new ATOM 0 HD12 ILE A1047 3.147 -18.018 3.315 1.00 0.00 H new ATOM 0 HD13 ILE A1047 4.718 -17.831 4.130 1.00 0.00 H new