USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1003 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 42 THR OG1 : rot 75:sc= 1.55 USER MOD Set 1.2: B 68 SER OG : rot 146:sc= 0.287 USER MOD Set 2.1: A 68 SER OG : rot -89:sc= 1.3 USER MOD Set 2.2: B 42 THR OG1 : rot 76:sc= 0.515 USER MOD Set 3.1: A 43 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Set 3.2: A 47 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Set 4.1: A 26 HIS : no HE2:sc= -1.04 K(o=-0.52,f=-7.6!) USER MOD Set 4.2: B 11 GLN : amide:sc= 0.515 K(o=-0.52,f=-2.3) USER MOD Set 5.1: A 8 THR OG1 : rot -150:sc= -0.178 USER MOD Set 5.2: A 11 GLN : amide:sc= 0.485 K(o=0.31,f=-1.8) USER MOD Single : A 7 TYR OH : rot -82:sc= -1.58! USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0451) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 60:sc= 0.984 USER MOD Single : A 35 MET CE :methyl -167:sc= -0.0522 (180deg=-0.343) USER MOD Single : A 39 ASN : amide:sc= -0.854 X(o=-0.85,f=-1.1) USER MOD Single : A 46 ASN : amide:sc= -0.913 K(o=-0.91,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.102 USER MOD Single : A 53 GLN : amide:sc= -4.07! K(o=-4.1!,f=-0.37) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 1.21 (180deg=0.851) USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= 0.67 (180deg=0.577) USER MOD Single : A 63 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.06) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -80:sc= 0.685 USER MOD Single : B 8 THR OG1 : rot -14:sc= 0.368 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= 0.566 K(o=0.57,f=-4.7!) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 69:sc= 1.09 USER MOD Single : B 35 MET CE :methyl -152:sc= -0.327 (180deg=-2.47) USER MOD Single : B 39 ASN : amide:sc= 1.14 K(o=1.1,f=-0.094) USER MOD Single : B 43 ASN : amide:sc= -0.52 K(o=-0.52,f=0) USER MOD Single : B 46 ASN : amide:sc= -1.93! K(o=-1.9!,f=-0.04) USER MOD Single : B 47 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 52 SER OG : rot 180:sc= 0.00546 USER MOD Single : B 53 GLN : amide:sc= -5.24! K(o=-5.2!,f=-0.92) USER MOD Single : B 55 LYS NZ :NH3+ 167:sc= 1.31 (180deg=1.15) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc= -0.256 K(o=-0.26,f=-0.77) USER MOD Single : B 66 MET CE :methyl -126:sc= -0.819 (180deg=-3.1!) USER MOD Single : B 67 SER OG : rot 65:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 97 N TYR A 7 -5.417 5.095 16.374 1.00 0.00 N ATOM 98 CA TYR A 7 -5.573 6.535 16.220 1.00 0.00 C ATOM 99 C TYR A 7 -7.048 6.912 16.256 1.00 0.00 C ATOM 100 O TYR A 7 -7.913 6.060 16.476 1.00 0.00 O ATOM 101 CB TYR A 7 -4.974 7.002 14.891 1.00 0.00 C ATOM 102 CG TYR A 7 -3.531 6.605 14.675 1.00 0.00 C ATOM 103 CD1 TYR A 7 -3.210 5.376 14.115 1.00 0.00 C ATOM 104 CD2 TYR A 7 -2.494 7.463 15.012 1.00 0.00 C ATOM 105 CE1 TYR A 7 -1.898 5.011 13.896 1.00 0.00 C ATOM 106 CE2 TYR A 7 -1.178 7.110 14.792 1.00 0.00 C ATOM 107 CZ TYR A 7 -0.884 5.884 14.237 1.00 0.00 C ATOM 108 OH TYR A 7 0.429 5.538 14.014 1.00 0.00 O ATOM 0 HA TYR A 7 -5.049 7.021 17.043 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.574 6.598 14.076 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.050 8.088 14.835 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.002 4.693 13.846 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.720 8.422 15.453 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.666 4.050 13.461 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.382 7.792 15.054 1.00 0.00 H new ATOM 0 HH TYR A 7 0.746 4.969 14.746 1.00 0.00 H new ATOM 118 N THR A 8 -7.326 8.184 16.027 1.00 0.00 N ATOM 119 CA THR A 8 -8.689 8.658 15.919 1.00 0.00 C ATOM 120 C THR A 8 -9.234 8.350 14.528 1.00 0.00 C ATOM 121 O THR A 8 -8.571 8.608 13.522 1.00 0.00 O ATOM 122 CB THR A 8 -8.763 10.171 16.188 1.00 0.00 C ATOM 123 OG1 THR A 8 -7.792 10.847 15.385 1.00 0.00 O ATOM 124 CG2 THR A 8 -8.511 10.477 17.656 1.00 0.00 C ATOM 0 H THR A 8 -6.618 8.909 15.912 1.00 0.00 H new ATOM 0 HA THR A 8 -9.295 8.146 16.667 1.00 0.00 H new ATOM 0 HB THR A 8 -9.764 10.518 15.931 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.489 11.655 15.849 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.569 11.553 17.819 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.263 9.977 18.266 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.520 10.121 17.937 1.00 0.00 H new ATOM 132 N ASP A 9 -10.434 7.790 14.478 1.00 0.00 N ATOM 133 CA ASP A 9 -11.045 7.382 13.214 1.00 0.00 C ATOM 134 C ASP A 9 -11.218 8.586 12.288 1.00 0.00 C ATOM 135 O ASP A 9 -11.013 8.491 11.075 1.00 0.00 O ATOM 136 CB ASP A 9 -12.402 6.728 13.494 1.00 0.00 C ATOM 137 CG ASP A 9 -13.016 6.067 12.274 1.00 0.00 C ATOM 138 OD1 ASP A 9 -13.651 6.770 11.462 1.00 0.00 O ATOM 139 OD2 ASP A 9 -12.907 4.827 12.147 1.00 0.00 O ATOM 0 H ASP A 9 -11.009 7.606 15.300 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.393 6.663 12.718 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.282 5.983 14.280 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.090 7.484 13.873 1.00 0.00 H new ATOM 144 N GLU A 10 -11.568 9.722 12.882 1.00 0.00 N ATOM 145 CA GLU A 10 -11.809 10.950 12.137 1.00 0.00 C ATOM 146 C GLU A 10 -10.560 11.416 11.395 1.00 0.00 C ATOM 147 O GLU A 10 -10.625 11.754 10.214 1.00 0.00 O ATOM 148 CB GLU A 10 -12.295 12.060 13.070 1.00 0.00 C ATOM 149 CG GLU A 10 -13.555 11.708 13.844 1.00 0.00 C ATOM 150 CD GLU A 10 -13.269 11.106 15.207 1.00 0.00 C ATOM 151 OE1 GLU A 10 -12.690 9.999 15.277 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.647 11.732 16.217 1.00 0.00 O ATOM 0 H GLU A 10 -11.692 9.816 13.890 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.582 10.732 11.400 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.501 12.300 13.777 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.481 12.959 12.483 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.159 12.606 13.970 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.148 11.004 13.260 1.00 0.00 H new ATOM 159 N GLN A 11 -9.422 11.432 12.077 1.00 0.00 N ATOM 160 CA GLN A 11 -8.182 11.872 11.450 1.00 0.00 C ATOM 161 C GLN A 11 -7.793 10.945 10.308 1.00 0.00 C ATOM 162 O GLN A 11 -7.323 11.402 9.267 1.00 0.00 O ATOM 163 CB GLN A 11 -7.049 11.971 12.470 1.00 0.00 C ATOM 164 CG GLN A 11 -6.999 13.317 13.174 1.00 0.00 C ATOM 165 CD GLN A 11 -5.927 13.390 14.241 1.00 0.00 C ATOM 166 OE1 GLN A 11 -6.177 13.103 15.413 1.00 0.00 O ATOM 167 NE2 GLN A 11 -4.728 13.781 13.843 1.00 0.00 N ATOM 0 H GLN A 11 -9.331 11.149 13.053 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.354 12.868 11.041 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.167 11.183 13.213 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.098 11.795 11.967 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.823 14.100 12.436 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.969 13.519 13.628 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.565 14.009 12.862 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.966 13.855 14.517 1.00 0.00 H new ATOM 176 N VAL A 12 -8.017 9.652 10.496 1.00 0.00 N ATOM 177 CA VAL A 12 -7.710 8.673 9.465 1.00 0.00 C ATOM 178 C VAL A 12 -8.549 8.923 8.212 1.00 0.00 C ATOM 179 O VAL A 12 -8.012 9.022 7.108 1.00 0.00 O ATOM 180 CB VAL A 12 -7.934 7.227 9.965 1.00 0.00 C ATOM 181 CG1 VAL A 12 -7.695 6.223 8.847 1.00 0.00 C ATOM 182 CG2 VAL A 12 -7.026 6.930 11.148 1.00 0.00 C ATOM 0 H VAL A 12 -8.409 9.258 11.351 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.655 8.788 9.217 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.971 7.135 10.288 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.859 5.213 9.224 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.385 6.421 8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.670 6.315 8.489 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.195 5.909 11.489 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.985 7.044 10.845 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.246 7.624 11.959 1.00 0.00 H new ATOM 192 N GLU A 13 -9.859 9.063 8.387 1.00 0.00 N ATOM 193 CA GLU A 13 -10.752 9.252 7.251 1.00 0.00 C ATOM 194 C GLU A 13 -10.538 10.621 6.602 1.00 0.00 C ATOM 195 O GLU A 13 -10.800 10.792 5.414 1.00 0.00 O ATOM 196 CB GLU A 13 -12.221 9.095 7.663 1.00 0.00 C ATOM 197 CG GLU A 13 -12.724 10.189 8.590 1.00 0.00 C ATOM 198 CD GLU A 13 -14.236 10.280 8.612 1.00 0.00 C ATOM 199 OE1 GLU A 13 -14.824 10.636 7.570 1.00 0.00 O ATOM 200 OE2 GLU A 13 -14.849 10.008 9.663 1.00 0.00 O ATOM 0 H GLU A 13 -10.322 9.049 9.296 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.512 8.478 6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.840 9.081 6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.349 8.130 8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.360 10.001 9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.310 11.147 8.275 1.00 0.00 H new ATOM 207 N LYS A 14 -10.074 11.596 7.382 1.00 0.00 N ATOM 208 CA LYS A 14 -9.811 12.930 6.853 1.00 0.00 C ATOM 209 C LYS A 14 -8.556 12.933 5.988 1.00 0.00 C ATOM 210 O LYS A 14 -8.546 13.515 4.902 1.00 0.00 O ATOM 211 CB LYS A 14 -9.681 13.960 7.982 1.00 0.00 C ATOM 212 CG LYS A 14 -10.930 14.811 8.179 1.00 0.00 C ATOM 213 CD LYS A 14 -12.145 13.966 8.537 1.00 0.00 C ATOM 214 CE LYS A 14 -13.418 14.795 8.574 1.00 0.00 C ATOM 215 NZ LYS A 14 -13.361 15.883 9.582 1.00 0.00 N ATOM 0 H LYS A 14 -9.874 11.487 8.376 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.662 13.211 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.456 13.440 8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.835 14.614 7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.751 15.541 8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.134 15.372 7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.256 13.162 7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.988 13.497 9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.595 15.226 7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.265 14.145 8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.282 16.364 9.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.135 15.481 10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.626 16.568 9.313 1.00 0.00 H new ATOM 229 N ILE A 15 -7.506 12.270 6.462 1.00 0.00 N ATOM 230 CA ILE A 15 -6.275 12.157 5.691 1.00 0.00 C ATOM 231 C ILE A 15 -6.526 11.348 4.423 1.00 0.00 C ATOM 232 O ILE A 15 -6.099 11.736 3.336 1.00 0.00 O ATOM 233 CB ILE A 15 -5.134 11.511 6.510 1.00 0.00 C ATOM 234 CG1 ILE A 15 -4.825 12.354 7.750 1.00 0.00 C ATOM 235 CG2 ILE A 15 -3.885 11.355 5.650 1.00 0.00 C ATOM 236 CD1 ILE A 15 -3.775 11.743 8.650 1.00 0.00 C ATOM 0 H ILE A 15 -7.483 11.806 7.370 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.960 13.167 5.427 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.457 10.522 6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.490 13.342 7.433 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.743 12.496 8.321 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.091 10.899 6.241 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.110 10.720 4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.560 12.335 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.607 12.394 9.508 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.116 10.767 8.996 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.844 11.626 8.096 1.00 0.00 H new ATOM 248 N LEU A 16 -7.246 10.236 4.569 1.00 0.00 N ATOM 249 CA LEU A 16 -7.622 9.410 3.425 1.00 0.00 C ATOM 250 C LEU A 16 -8.404 10.222 2.399 1.00 0.00 C ATOM 251 O LEU A 16 -8.176 10.093 1.199 1.00 0.00 O ATOM 252 CB LEU A 16 -8.458 8.209 3.875 1.00 0.00 C ATOM 253 CG LEU A 16 -7.687 7.120 4.620 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.641 6.048 5.121 1.00 0.00 C ATOM 255 CD2 LEU A 16 -6.625 6.512 3.715 1.00 0.00 C ATOM 0 H LEU A 16 -7.580 9.888 5.468 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.703 9.050 2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.262 8.567 4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.927 7.764 2.997 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.190 7.568 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.078 5.279 5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.368 6.496 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.161 5.600 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.084 5.738 4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.102 6.074 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.928 7.288 3.399 1.00 0.00 H new ATOM 267 N ALA A 17 -9.314 11.065 2.879 1.00 0.00 N ATOM 268 CA ALA A 17 -10.127 11.899 2.002 1.00 0.00 C ATOM 269 C ALA A 17 -9.254 12.832 1.171 1.00 0.00 C ATOM 270 O ALA A 17 -9.375 12.878 -0.053 1.00 0.00 O ATOM 271 CB ALA A 17 -11.135 12.700 2.812 1.00 0.00 C ATOM 0 H ALA A 17 -9.506 11.188 3.873 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.668 11.243 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.733 13.317 2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.788 12.018 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.607 13.340 3.519 1.00 0.00 H new ATOM 277 N GLU A 18 -8.361 13.555 1.837 1.00 0.00 N ATOM 278 CA GLU A 18 -7.487 14.503 1.153 1.00 0.00 C ATOM 279 C GLU A 18 -6.549 13.790 0.181 1.00 0.00 C ATOM 280 O GLU A 18 -6.351 14.246 -0.943 1.00 0.00 O ATOM 281 CB GLU A 18 -6.688 15.330 2.164 1.00 0.00 C ATOM 282 CG GLU A 18 -7.561 16.244 3.010 1.00 0.00 C ATOM 283 CD GLU A 18 -6.768 17.084 3.993 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.213 18.126 3.584 1.00 0.00 O ATOM 285 OE2 GLU A 18 -6.724 16.725 5.187 1.00 0.00 O ATOM 0 H GLU A 18 -8.223 13.504 2.846 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.117 15.179 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.135 14.657 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.952 15.932 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.129 16.903 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.284 15.640 3.558 1.00 0.00 H new ATOM 292 N VAL A 19 -5.995 12.661 0.607 1.00 0.00 N ATOM 293 CA VAL A 19 -5.110 11.873 -0.249 1.00 0.00 C ATOM 294 C VAL A 19 -5.858 11.350 -1.476 1.00 0.00 C ATOM 295 O VAL A 19 -5.402 11.516 -2.609 1.00 0.00 O ATOM 296 CB VAL A 19 -4.482 10.686 0.519 1.00 0.00 C ATOM 297 CG1 VAL A 19 -3.721 9.765 -0.424 1.00 0.00 C ATOM 298 CG2 VAL A 19 -3.559 11.191 1.618 1.00 0.00 C ATOM 0 H VAL A 19 -6.141 12.270 1.537 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.309 12.537 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.292 10.115 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.290 8.940 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.403 9.371 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.924 10.324 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.126 10.343 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.761 11.789 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.127 11.804 2.317 1.00 0.00 H new ATOM 308 N ALA A 20 -7.017 10.739 -1.246 1.00 0.00 N ATOM 309 CA ALA A 20 -7.817 10.184 -2.331 1.00 0.00 C ATOM 310 C ALA A 20 -8.292 11.282 -3.274 1.00 0.00 C ATOM 311 O ALA A 20 -8.447 11.055 -4.475 1.00 0.00 O ATOM 312 CB ALA A 20 -9.006 9.411 -1.779 1.00 0.00 C ATOM 0 H ALA A 20 -7.422 10.616 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.187 9.497 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.591 9.005 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.649 8.595 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.631 10.079 -1.186 1.00 0.00 H new ATOM 318 N LEU A 21 -8.517 12.469 -2.724 1.00 0.00 N ATOM 319 CA LEU A 21 -8.939 13.613 -3.519 1.00 0.00 C ATOM 320 C LEU A 21 -7.842 14.014 -4.497 1.00 0.00 C ATOM 321 O LEU A 21 -8.114 14.267 -5.666 1.00 0.00 O ATOM 322 CB LEU A 21 -9.319 14.786 -2.606 1.00 0.00 C ATOM 323 CG LEU A 21 -9.980 15.983 -3.301 1.00 0.00 C ATOM 324 CD1 LEU A 21 -10.908 16.698 -2.336 1.00 0.00 C ATOM 325 CD2 LEU A 21 -8.931 16.955 -3.827 1.00 0.00 C ATOM 0 H LEU A 21 -8.414 12.664 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.820 13.333 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.996 14.418 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.419 15.135 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.558 15.609 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.372 17.546 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.682 16.009 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.337 17.053 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.425 17.795 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.327 17.322 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.289 16.444 -4.545 1.00 0.00 H new ATOM 337 N VAL A 22 -6.600 14.054 -4.019 1.00 0.00 N ATOM 338 CA VAL A 22 -5.464 14.390 -4.871 1.00 0.00 C ATOM 339 C VAL A 22 -5.339 13.371 -6.002 1.00 0.00 C ATOM 340 O VAL A 22 -5.082 13.725 -7.156 1.00 0.00 O ATOM 341 CB VAL A 22 -4.142 14.441 -4.066 1.00 0.00 C ATOM 342 CG1 VAL A 22 -2.956 14.725 -4.977 1.00 0.00 C ATOM 343 CG2 VAL A 22 -4.223 15.491 -2.967 1.00 0.00 C ATOM 0 H VAL A 22 -6.356 13.858 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.644 15.381 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.994 13.464 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.041 14.755 -4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.877 13.938 -5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.099 15.685 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.284 15.511 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.403 16.470 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.040 15.245 -2.288 1.00 0.00 H new ATOM 353 N LEU A 23 -5.545 12.106 -5.660 1.00 0.00 N ATOM 354 CA LEU A 23 -5.493 11.024 -6.635 1.00 0.00 C ATOM 355 C LEU A 23 -6.589 11.194 -7.683 1.00 0.00 C ATOM 356 O LEU A 23 -6.328 11.139 -8.886 1.00 0.00 O ATOM 357 CB LEU A 23 -5.648 9.674 -5.933 1.00 0.00 C ATOM 358 CG LEU A 23 -4.636 9.405 -4.818 1.00 0.00 C ATOM 359 CD1 LEU A 23 -4.890 8.051 -4.179 1.00 0.00 C ATOM 360 CD2 LEU A 23 -3.219 9.479 -5.357 1.00 0.00 C ATOM 0 H LEU A 23 -5.751 11.802 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.525 11.057 -7.134 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.652 9.613 -5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.564 8.883 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.757 10.173 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.160 7.879 -3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.894 8.031 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.799 7.270 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.512 9.285 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.088 8.733 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.037 10.472 -5.768 1.00 0.00 H new ATOM 372 N GLU A 24 -7.807 11.419 -7.212 1.00 0.00 N ATOM 373 CA GLU A 24 -8.959 11.599 -8.086 1.00 0.00 C ATOM 374 C GLU A 24 -8.781 12.837 -8.965 1.00 0.00 C ATOM 375 O GLU A 24 -9.035 12.799 -10.168 1.00 0.00 O ATOM 376 CB GLU A 24 -10.233 11.724 -7.245 1.00 0.00 C ATOM 377 CG GLU A 24 -11.501 11.885 -8.063 1.00 0.00 C ATOM 378 CD GLU A 24 -12.723 12.109 -7.198 1.00 0.00 C ATOM 379 OE1 GLU A 24 -13.011 13.278 -6.867 1.00 0.00 O ATOM 380 OE2 GLU A 24 -13.400 11.120 -6.847 1.00 0.00 O ATOM 0 H GLU A 24 -8.025 11.482 -6.218 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.044 10.729 -8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.329 10.839 -6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.133 12.580 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.384 12.726 -8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.651 10.995 -8.675 1.00 0.00 H new ATOM 387 N LYS A 25 -8.318 13.920 -8.352 1.00 0.00 N ATOM 388 CA LYS A 25 -8.124 15.185 -9.049 1.00 0.00 C ATOM 389 C LYS A 25 -7.068 15.053 -10.146 1.00 0.00 C ATOM 390 O LYS A 25 -7.164 15.687 -11.196 1.00 0.00 O ATOM 391 CB LYS A 25 -7.721 16.269 -8.047 1.00 0.00 C ATOM 392 CG LYS A 25 -7.533 17.644 -8.662 1.00 0.00 C ATOM 393 CD LYS A 25 -7.238 18.685 -7.598 1.00 0.00 C ATOM 394 CE LYS A 25 -6.966 20.043 -8.215 1.00 0.00 C ATOM 395 NZ LYS A 25 -6.777 21.094 -7.182 1.00 0.00 N ATOM 0 H LYS A 25 -8.068 13.946 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.064 15.467 -9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.483 16.332 -7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.793 15.971 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.715 17.614 -9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.431 17.926 -9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.083 18.757 -6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.376 18.372 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.076 19.985 -8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.796 20.319 -8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.593 22.007 -7.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.636 21.167 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.969 20.844 -6.577 1.00 0.00 H new ATOM 409 N HIS A 26 -6.067 14.217 -9.908 1.00 0.00 N ATOM 410 CA HIS A 26 -5.021 13.982 -10.898 1.00 0.00 C ATOM 411 C HIS A 26 -5.409 12.858 -11.852 1.00 0.00 C ATOM 412 O HIS A 26 -4.602 12.446 -12.690 1.00 0.00 O ATOM 413 CB HIS A 26 -3.689 13.652 -10.223 1.00 0.00 C ATOM 414 CG HIS A 26 -2.937 14.853 -9.732 1.00 0.00 C ATOM 415 ND1 HIS A 26 -1.893 15.414 -10.431 1.00 0.00 N ATOM 416 CD2 HIS A 26 -3.062 15.586 -8.601 1.00 0.00 C ATOM 417 CE1 HIS A 26 -1.409 16.434 -9.753 1.00 0.00 C ATOM 418 NE2 HIS A 26 -2.098 16.563 -8.635 1.00 0.00 N ATOM 0 H HIS A 26 -5.956 13.691 -9.041 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.905 14.902 -11.472 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.876 12.985 -9.382 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.062 13.107 -10.929 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -1.547 15.090 -11.334 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.787 15.431 -7.816 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.585 17.061 -10.061 1.00 0.00 H new ATOM 427 N ALA A 27 -6.644 12.370 -11.713 1.00 0.00 N ATOM 428 CA ALA A 27 -7.181 11.314 -12.572 1.00 0.00 C ATOM 429 C ALA A 27 -6.344 10.040 -12.475 1.00 0.00 C ATOM 430 O ALA A 27 -6.142 9.333 -13.466 1.00 0.00 O ATOM 431 CB ALA A 27 -7.269 11.796 -14.016 1.00 0.00 C ATOM 0 H ALA A 27 -7.299 12.696 -11.002 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.186 11.075 -12.224 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.670 10.999 -14.642 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.925 12.665 -14.070 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.275 12.069 -14.370 1.00 0.00 H new ATOM 437 N ALA A 28 -5.874 9.748 -11.268 1.00 0.00 N ATOM 438 CA ALA A 28 -5.035 8.582 -11.034 1.00 0.00 C ATOM 439 C ALA A 28 -5.801 7.291 -11.290 1.00 0.00 C ATOM 440 O ALA A 28 -6.799 6.999 -10.632 1.00 0.00 O ATOM 441 CB ALA A 28 -4.486 8.597 -9.616 1.00 0.00 C ATOM 0 H ALA A 28 -6.061 10.306 -10.435 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.201 8.625 -11.735 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.861 7.718 -9.459 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.890 9.497 -9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.313 8.586 -8.906 1.00 0.00 H new ATOM 447 N SER A 29 -5.328 6.532 -12.265 1.00 0.00 N ATOM 448 CA SER A 29 -5.907 5.238 -12.585 1.00 0.00 C ATOM 449 C SER A 29 -5.454 4.206 -11.546 1.00 0.00 C ATOM 450 O SER A 29 -4.494 4.455 -10.819 1.00 0.00 O ATOM 451 CB SER A 29 -5.467 4.831 -13.993 1.00 0.00 C ATOM 452 OG SER A 29 -5.740 5.868 -14.924 1.00 0.00 O ATOM 0 H SER A 29 -4.537 6.793 -12.853 1.00 0.00 H new ATOM 0 HA SER A 29 -6.995 5.292 -12.560 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.401 4.605 -13.995 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.986 3.921 -14.293 1.00 0.00 H new ATOM 0 HG SER A 29 -5.450 5.590 -15.818 1.00 0.00 H new ATOM 458 N PRO A 30 -6.139 3.045 -11.448 1.00 0.00 N ATOM 459 CA PRO A 30 -5.825 1.999 -10.457 1.00 0.00 C ATOM 460 C PRO A 30 -4.331 1.685 -10.363 1.00 0.00 C ATOM 461 O PRO A 30 -3.764 1.669 -9.269 1.00 0.00 O ATOM 462 CB PRO A 30 -6.602 0.772 -10.959 1.00 0.00 C ATOM 463 CG PRO A 30 -7.157 1.155 -12.295 1.00 0.00 C ATOM 464 CD PRO A 30 -7.283 2.648 -12.279 1.00 0.00 C ATOM 0 HA PRO A 30 -6.102 2.315 -9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.949 -0.097 -11.042 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.400 0.505 -10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.498 0.828 -13.099 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.125 0.684 -12.465 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.225 3.073 -13.281 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.231 2.972 -11.849 1.00 0.00 H new ATOM 472 N GLU A 31 -3.706 1.446 -11.513 1.00 0.00 N ATOM 473 CA GLU A 31 -2.272 1.171 -11.575 1.00 0.00 C ATOM 474 C GLU A 31 -1.473 2.290 -10.903 1.00 0.00 C ATOM 475 O GLU A 31 -0.631 2.036 -10.043 1.00 0.00 O ATOM 476 CB GLU A 31 -1.838 1.032 -13.035 1.00 0.00 C ATOM 477 CG GLU A 31 -2.360 -0.217 -13.720 1.00 0.00 C ATOM 478 CD GLU A 31 -1.359 -1.354 -13.693 1.00 0.00 C ATOM 479 OE1 GLU A 31 -0.466 -1.371 -14.570 1.00 0.00 O ATOM 480 OE2 GLU A 31 -1.462 -2.230 -12.811 1.00 0.00 O ATOM 0 H GLU A 31 -4.173 1.437 -12.420 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.075 0.240 -11.043 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.179 1.907 -13.589 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.749 1.030 -13.081 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.281 -0.537 -13.233 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.611 0.018 -14.754 1.00 0.00 H new ATOM 487 N LEU A 32 -1.759 3.529 -11.295 1.00 0.00 N ATOM 488 CA LEU A 32 -1.079 4.694 -10.735 1.00 0.00 C ATOM 489 C LEU A 32 -1.384 4.833 -9.249 1.00 0.00 C ATOM 490 O LEU A 32 -0.504 5.151 -8.453 1.00 0.00 O ATOM 491 CB LEU A 32 -1.503 5.969 -11.478 1.00 0.00 C ATOM 492 CG LEU A 32 -0.836 7.262 -11.001 1.00 0.00 C ATOM 493 CD1 LEU A 32 0.676 7.145 -11.076 1.00 0.00 C ATOM 494 CD2 LEU A 32 -1.310 8.442 -11.834 1.00 0.00 C ATOM 0 H LEU A 32 -2.460 3.753 -12.001 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.005 4.553 -10.858 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.287 5.839 -12.539 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.583 6.082 -11.384 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.120 7.428 -9.962 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.130 8.074 -10.733 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.009 6.323 -10.443 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.975 6.954 -12.106 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.827 9.353 -11.482 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.053 8.276 -12.880 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.391 8.544 -11.738 1.00 0.00 H new ATOM 506 N THR A 33 -2.631 4.570 -8.885 1.00 0.00 N ATOM 507 CA THR A 33 -3.075 4.685 -7.505 1.00 0.00 C ATOM 508 C THR A 33 -2.273 3.752 -6.596 1.00 0.00 C ATOM 509 O THR A 33 -1.794 4.160 -5.534 1.00 0.00 O ATOM 510 CB THR A 33 -4.577 4.358 -7.390 1.00 0.00 C ATOM 511 OG1 THR A 33 -5.328 5.167 -8.303 1.00 0.00 O ATOM 512 CG2 THR A 33 -5.084 4.597 -5.979 1.00 0.00 C ATOM 0 H THR A 33 -3.359 4.273 -9.534 1.00 0.00 H new ATOM 0 HA THR A 33 -2.910 5.714 -7.185 1.00 0.00 H new ATOM 0 HB THR A 33 -4.708 3.304 -7.635 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.032 4.987 -9.220 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.146 4.358 -5.929 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.536 3.962 -5.283 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.934 5.643 -5.711 1.00 0.00 H new ATOM 520 N LEU A 34 -2.112 2.506 -7.026 1.00 0.00 N ATOM 521 CA LEU A 34 -1.340 1.539 -6.263 1.00 0.00 C ATOM 522 C LEU A 34 0.141 1.886 -6.307 1.00 0.00 C ATOM 523 O LEU A 34 0.863 1.670 -5.333 1.00 0.00 O ATOM 524 CB LEU A 34 -1.555 0.124 -6.789 1.00 0.00 C ATOM 525 CG LEU A 34 -2.153 -0.850 -5.776 1.00 0.00 C ATOM 526 CD1 LEU A 34 -3.671 -0.764 -5.773 1.00 0.00 C ATOM 527 CD2 LEU A 34 -1.681 -2.262 -6.067 1.00 0.00 C ATOM 0 H LEU A 34 -2.505 2.145 -7.895 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.686 1.579 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.210 0.170 -7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.598 -0.271 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.808 -0.574 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.074 -1.467 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.978 0.248 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.051 -1.012 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.114 -2.948 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.996 -2.552 -7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.594 -2.303 -6.002 1.00 0.00 H new ATOM 539 N MET A 35 0.586 2.424 -7.439 1.00 0.00 N ATOM 540 CA MET A 35 1.966 2.875 -7.585 1.00 0.00 C ATOM 541 C MET A 35 2.285 3.924 -6.525 1.00 0.00 C ATOM 542 O MET A 35 3.343 3.889 -5.898 1.00 0.00 O ATOM 543 CB MET A 35 2.195 3.459 -8.983 1.00 0.00 C ATOM 544 CG MET A 35 3.625 3.918 -9.227 1.00 0.00 C ATOM 545 SD MET A 35 3.817 4.819 -10.779 1.00 0.00 S ATOM 546 CE MET A 35 3.302 3.586 -11.970 1.00 0.00 C ATOM 0 H MET A 35 0.010 2.558 -8.270 1.00 0.00 H new ATOM 0 HA MET A 35 2.628 2.019 -7.453 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.931 2.709 -9.728 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.522 4.304 -9.129 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.943 4.554 -8.401 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.284 3.050 -9.233 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.582 3.909 -12.973 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.789 2.637 -11.745 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.221 3.460 -11.918 1.00 0.00 H new ATOM 556 N ILE A 36 1.349 4.845 -6.324 1.00 0.00 N ATOM 557 CA ILE A 36 1.480 5.867 -5.295 1.00 0.00 C ATOM 558 C ILE A 36 1.644 5.218 -3.926 1.00 0.00 C ATOM 559 O ILE A 36 2.583 5.525 -3.195 1.00 0.00 O ATOM 560 CB ILE A 36 0.253 6.811 -5.267 1.00 0.00 C ATOM 561 CG1 ILE A 36 0.081 7.526 -6.612 1.00 0.00 C ATOM 562 CG2 ILE A 36 0.371 7.826 -4.136 1.00 0.00 C ATOM 563 CD1 ILE A 36 1.303 8.299 -7.062 1.00 0.00 C ATOM 0 H ILE A 36 0.486 4.904 -6.865 1.00 0.00 H new ATOM 0 HA ILE A 36 2.364 6.458 -5.534 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.632 6.200 -5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.170 6.788 -7.374 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.764 8.211 -6.542 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.503 8.477 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.431 7.302 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.270 8.426 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.099 8.775 -8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.544 9.062 -6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.147 7.617 -7.167 1.00 0.00 H new ATOM 575 N ALA A 37 0.739 4.299 -3.602 1.00 0.00 N ATOM 576 CA ALA A 37 0.776 3.603 -2.320 1.00 0.00 C ATOM 577 C ALA A 37 2.094 2.853 -2.133 1.00 0.00 C ATOM 578 O ALA A 37 2.714 2.931 -1.068 1.00 0.00 O ATOM 579 CB ALA A 37 -0.406 2.653 -2.203 1.00 0.00 C ATOM 0 H ALA A 37 -0.030 4.019 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 37 0.706 4.348 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.367 2.140 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.335 3.218 -2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.364 1.919 -3.008 1.00 0.00 H new ATOM 585 N GLY A 38 2.514 2.122 -3.165 1.00 0.00 N ATOM 586 CA GLY A 38 3.790 1.428 -3.121 1.00 0.00 C ATOM 587 C GLY A 38 4.958 2.366 -2.894 1.00 0.00 C ATOM 588 O GLY A 38 5.846 2.078 -2.088 1.00 0.00 O ATOM 0 H GLY A 38 1.991 1.999 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.767 0.684 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.938 0.889 -4.057 1.00 0.00 H new ATOM 592 N ASN A 39 4.959 3.494 -3.596 1.00 0.00 N ATOM 593 CA ASN A 39 6.012 4.494 -3.444 1.00 0.00 C ATOM 594 C ASN A 39 6.012 5.073 -2.035 1.00 0.00 C ATOM 595 O ASN A 39 7.074 5.331 -1.467 1.00 0.00 O ATOM 596 CB ASN A 39 5.848 5.618 -4.468 1.00 0.00 C ATOM 597 CG ASN A 39 6.278 5.219 -5.871 1.00 0.00 C ATOM 598 OD1 ASN A 39 7.190 4.414 -6.053 1.00 0.00 O ATOM 599 ND2 ASN A 39 5.621 5.786 -6.872 1.00 0.00 N ATOM 0 H ASN A 39 4.241 3.740 -4.278 1.00 0.00 H new ATOM 0 HA ASN A 39 6.967 3.998 -3.618 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.804 5.931 -4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.432 6.481 -4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.866 5.559 -7.836 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.870 6.449 -6.679 1.00 0.00 H new ATOM 606 N ILE A 40 4.818 5.278 -1.476 1.00 0.00 N ATOM 607 CA ILE A 40 4.684 5.751 -0.102 1.00 0.00 C ATOM 608 C ILE A 40 5.406 4.806 0.850 1.00 0.00 C ATOM 609 O ILE A 40 6.334 5.207 1.551 1.00 0.00 O ATOM 610 CB ILE A 40 3.200 5.869 0.331 1.00 0.00 C ATOM 611 CG1 ILE A 40 2.481 6.939 -0.492 1.00 0.00 C ATOM 612 CG2 ILE A 40 3.097 6.191 1.816 1.00 0.00 C ATOM 613 CD1 ILE A 40 0.992 7.003 -0.233 1.00 0.00 C ATOM 0 H ILE A 40 3.931 5.123 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 40 5.132 6.744 -0.059 1.00 0.00 H new ATOM 0 HB ILE A 40 2.717 4.909 0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.922 7.911 -0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.649 6.745 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.047 6.270 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.571 5.397 2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.599 7.137 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.548 7.784 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.538 6.043 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.815 7.228 0.819 1.00 0.00 H new ATOM 625 N ALA A 41 4.989 3.544 0.839 1.00 0.00 N ATOM 626 CA ALA A 41 5.566 2.535 1.712 1.00 0.00 C ATOM 627 C ALA A 41 7.070 2.408 1.488 1.00 0.00 C ATOM 628 O ALA A 41 7.836 2.330 2.444 1.00 0.00 O ATOM 629 CB ALA A 41 4.872 1.199 1.498 1.00 0.00 C ATOM 0 H ALA A 41 4.248 3.197 0.230 1.00 0.00 H new ATOM 0 HA ALA A 41 5.412 2.846 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.312 0.451 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.810 1.301 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.995 0.887 0.461 1.00 0.00 H new ATOM 635 N THR A 42 7.487 2.411 0.226 1.00 0.00 N ATOM 636 CA THR A 42 8.903 2.317 -0.107 1.00 0.00 C ATOM 637 C THR A 42 9.697 3.458 0.534 1.00 0.00 C ATOM 638 O THR A 42 10.688 3.219 1.223 1.00 0.00 O ATOM 639 CB THR A 42 9.119 2.333 -1.635 1.00 0.00 C ATOM 640 OG1 THR A 42 8.421 1.237 -2.242 1.00 0.00 O ATOM 641 CG2 THR A 42 10.598 2.240 -1.983 1.00 0.00 C ATOM 0 H THR A 42 6.866 2.477 -0.581 1.00 0.00 H new ATOM 0 HA THR A 42 9.265 1.368 0.290 1.00 0.00 H new ATOM 0 HB THR A 42 8.729 3.277 -2.017 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.460 1.431 -2.260 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.718 2.254 -3.066 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.128 3.087 -1.548 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.008 1.312 -1.584 1.00 0.00 H new ATOM 649 N ASN A 43 9.240 4.693 0.326 1.00 0.00 N ATOM 650 CA ASN A 43 9.931 5.867 0.859 1.00 0.00 C ATOM 651 C ASN A 43 9.991 5.809 2.381 1.00 0.00 C ATOM 652 O ASN A 43 11.017 6.125 2.990 1.00 0.00 O ATOM 653 CB ASN A 43 9.233 7.156 0.411 1.00 0.00 C ATOM 654 CG ASN A 43 9.979 8.405 0.853 1.00 0.00 C ATOM 655 OD1 ASN A 43 11.204 8.404 0.964 1.00 0.00 O ATOM 656 ND2 ASN A 43 9.243 9.479 1.108 1.00 0.00 N ATOM 0 H ASN A 43 8.396 4.906 -0.206 1.00 0.00 H new ATOM 0 HA ASN A 43 10.948 5.867 0.468 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.141 7.157 -0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.222 7.178 0.817 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.691 10.345 1.408 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.229 9.439 1.004 1.00 0.00 H new ATOM 663 N VAL A 44 8.894 5.381 2.996 1.00 0.00 N ATOM 664 CA VAL A 44 8.848 5.243 4.444 1.00 0.00 C ATOM 665 C VAL A 44 9.869 4.216 4.917 1.00 0.00 C ATOM 666 O VAL A 44 10.634 4.475 5.841 1.00 0.00 O ATOM 667 CB VAL A 44 7.447 4.838 4.943 1.00 0.00 C ATOM 668 CG1 VAL A 44 7.445 4.637 6.454 1.00 0.00 C ATOM 669 CG2 VAL A 44 6.423 5.888 4.543 1.00 0.00 C ATOM 0 H VAL A 44 8.031 5.125 2.517 1.00 0.00 H new ATOM 0 HA VAL A 44 9.088 6.220 4.863 1.00 0.00 H new ATOM 0 HB VAL A 44 7.177 3.891 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.445 4.352 6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.152 3.850 6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.737 5.565 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.438 5.590 4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.695 6.847 4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.402 5.980 3.457 1.00 0.00 H new ATOM 679 N LEU A 45 9.903 3.063 4.265 1.00 0.00 N ATOM 680 CA LEU A 45 10.834 2.013 4.651 1.00 0.00 C ATOM 681 C LEU A 45 12.277 2.375 4.297 1.00 0.00 C ATOM 682 O LEU A 45 13.216 1.731 4.759 1.00 0.00 O ATOM 683 CB LEU A 45 10.451 0.667 4.026 1.00 0.00 C ATOM 684 CG LEU A 45 9.483 -0.184 4.858 1.00 0.00 C ATOM 685 CD1 LEU A 45 8.064 0.356 4.793 1.00 0.00 C ATOM 686 CD2 LEU A 45 9.522 -1.627 4.400 1.00 0.00 C ATOM 0 H LEU A 45 9.303 2.832 3.473 1.00 0.00 H new ATOM 0 HA LEU A 45 10.769 1.917 5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.002 0.852 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.361 0.092 3.854 1.00 0.00 H new ATOM 0 HG LEU A 45 9.807 -0.134 5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.407 -0.273 5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.044 1.375 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.721 0.354 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.830 -2.218 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.232 -1.684 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.532 -2.019 4.519 1.00 0.00 H new ATOM 698 N ASN A 46 12.454 3.401 3.482 1.00 0.00 N ATOM 699 CA ASN A 46 13.790 3.882 3.149 1.00 0.00 C ATOM 700 C ASN A 46 14.292 4.874 4.193 1.00 0.00 C ATOM 701 O ASN A 46 15.424 4.774 4.664 1.00 0.00 O ATOM 702 CB ASN A 46 13.817 4.544 1.765 1.00 0.00 C ATOM 703 CG ASN A 46 13.935 3.553 0.617 1.00 0.00 C ATOM 704 OD1 ASN A 46 14.515 3.864 -0.424 1.00 0.00 O ATOM 705 ND2 ASN A 46 13.384 2.361 0.787 1.00 0.00 N ATOM 0 H ASN A 46 11.694 3.917 3.039 1.00 0.00 H new ATOM 0 HA ASN A 46 14.448 3.013 3.136 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.908 5.131 1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.655 5.240 1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.432 1.666 0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.911 2.138 1.663 1.00 0.00 H new ATOM 712 N GLN A 47 13.446 5.833 4.556 1.00 0.00 N ATOM 713 CA GLN A 47 13.874 6.929 5.422 1.00 0.00 C ATOM 714 C GLN A 47 13.155 6.931 6.773 1.00 0.00 C ATOM 715 O GLN A 47 13.784 7.103 7.817 1.00 0.00 O ATOM 716 CB GLN A 47 13.624 8.275 4.733 1.00 0.00 C ATOM 717 CG GLN A 47 14.241 8.397 3.347 1.00 0.00 C ATOM 718 CD GLN A 47 14.078 9.787 2.753 1.00 0.00 C ATOM 719 OE1 GLN A 47 14.055 10.786 3.476 1.00 0.00 O ATOM 720 NE2 GLN A 47 13.955 9.864 1.436 1.00 0.00 N ATOM 0 H GLN A 47 12.468 5.875 4.268 1.00 0.00 H new ATOM 0 HA GLN A 47 14.938 6.780 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.549 8.434 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.019 9.071 5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.302 8.152 3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.780 7.666 2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.979 9.015 0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.836 10.772 0.987 1.00 0.00 H new ATOM 729 N ARG A 48 11.846 6.732 6.749 1.00 0.00 N ATOM 730 CA ARG A 48 11.005 7.042 7.902 1.00 0.00 C ATOM 731 C ARG A 48 10.826 5.875 8.878 1.00 0.00 C ATOM 732 O ARG A 48 10.263 6.063 9.957 1.00 0.00 O ATOM 733 CB ARG A 48 9.633 7.527 7.424 1.00 0.00 C ATOM 734 CG ARG A 48 9.672 8.876 6.722 1.00 0.00 C ATOM 735 CD ARG A 48 10.219 9.950 7.643 1.00 0.00 C ATOM 736 NE ARG A 48 10.248 11.272 7.024 1.00 0.00 N ATOM 737 CZ ARG A 48 10.703 12.359 7.644 1.00 0.00 C ATOM 738 NH1 ARG A 48 11.232 12.254 8.859 1.00 0.00 N ATOM 739 NH2 ARG A 48 10.647 13.545 7.049 1.00 0.00 N ATOM 0 H ARG A 48 11.341 6.358 5.946 1.00 0.00 H new ATOM 0 HA ARG A 48 11.525 7.825 8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.212 6.786 6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.962 7.592 8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.292 8.807 5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.669 9.149 6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.610 9.991 8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.228 9.677 7.951 1.00 0.00 H new ATOM 0 HE ARG A 48 9.903 11.368 6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.288 11.343 9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 48 11.581 13.085 9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.254 13.627 6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.997 14.374 7.530 1.00 0.00 H new ATOM 753 N VAL A 49 11.286 4.685 8.524 1.00 0.00 N ATOM 754 CA VAL A 49 11.109 3.538 9.404 1.00 0.00 C ATOM 755 C VAL A 49 12.450 3.098 9.984 1.00 0.00 C ATOM 756 O VAL A 49 13.506 3.460 9.465 1.00 0.00 O ATOM 757 CB VAL A 49 10.444 2.352 8.668 1.00 0.00 C ATOM 758 CG1 VAL A 49 11.475 1.522 7.932 1.00 0.00 C ATOM 759 CG2 VAL A 49 9.645 1.493 9.634 1.00 0.00 C ATOM 0 H VAL A 49 11.776 4.489 7.651 1.00 0.00 H new ATOM 0 HA VAL A 49 10.449 3.848 10.214 1.00 0.00 H new ATOM 0 HB VAL A 49 9.754 2.760 7.930 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.980 0.695 7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.987 2.145 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.201 1.128 8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.187 0.666 9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.308 1.099 10.405 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.866 2.097 10.099 1.00 0.00 H new ATOM 769 N ALA A 50 12.405 2.321 11.058 1.00 0.00 N ATOM 770 CA ALA A 50 13.615 1.802 11.674 1.00 0.00 C ATOM 771 C ALA A 50 14.200 0.669 10.836 1.00 0.00 C ATOM 772 O ALA A 50 13.464 -0.164 10.306 1.00 0.00 O ATOM 773 CB ALA A 50 13.332 1.333 13.093 1.00 0.00 C ATOM 0 H ALA A 50 11.541 2.037 11.520 1.00 0.00 H new ATOM 0 HA ALA A 50 14.350 2.605 11.720 1.00 0.00 H new ATOM 0 HB1 ALA A 50 14.249 0.948 13.539 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.964 2.170 13.686 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.580 0.545 13.072 1.00 0.00 H new ATOM 779 N ALA A 51 15.524 0.657 10.714 1.00 0.00 N ATOM 780 CA ALA A 51 16.243 -0.365 9.959 1.00 0.00 C ATOM 781 C ALA A 51 15.794 -1.778 10.322 1.00 0.00 C ATOM 782 O ALA A 51 15.532 -2.597 9.441 1.00 0.00 O ATOM 783 CB ALA A 51 17.739 -0.222 10.192 1.00 0.00 C ATOM 0 H ALA A 51 16.131 1.359 11.138 1.00 0.00 H new ATOM 0 HA ALA A 51 16.014 -0.212 8.904 1.00 0.00 H new ATOM 0 HB1 ALA A 51 18.270 -0.987 9.626 1.00 0.00 H new ATOM 0 HB2 ALA A 51 18.066 0.765 9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 51 17.955 -0.341 11.254 1.00 0.00 H new ATOM 789 N SER A 52 15.701 -2.053 11.618 1.00 0.00 N ATOM 790 CA SER A 52 15.325 -3.374 12.104 1.00 0.00 C ATOM 791 C SER A 52 13.812 -3.599 12.015 1.00 0.00 C ATOM 792 O SER A 52 13.345 -4.736 11.987 1.00 0.00 O ATOM 793 CB SER A 52 15.817 -3.539 13.544 1.00 0.00 C ATOM 794 OG SER A 52 15.668 -2.327 14.268 1.00 0.00 O ATOM 0 H SER A 52 15.883 -1.372 12.356 1.00 0.00 H new ATOM 0 HA SER A 52 15.796 -4.126 11.471 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.256 -4.334 14.036 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.864 -3.841 13.543 1.00 0.00 H new ATOM 0 HG SER A 52 15.986 -2.453 15.186 1.00 0.00 H new ATOM 800 N GLN A 53 13.054 -2.511 11.948 1.00 0.00 N ATOM 801 CA GLN A 53 11.600 -2.593 11.853 1.00 0.00 C ATOM 802 C GLN A 53 11.176 -2.930 10.427 1.00 0.00 C ATOM 803 O GLN A 53 10.091 -3.461 10.207 1.00 0.00 O ATOM 804 CB GLN A 53 10.959 -1.265 12.285 1.00 0.00 C ATOM 805 CG GLN A 53 9.433 -1.261 12.246 1.00 0.00 C ATOM 806 CD GLN A 53 8.777 -1.975 13.421 1.00 0.00 C ATOM 807 OE1 GLN A 53 7.670 -1.617 13.823 1.00 0.00 O ATOM 808 NE2 GLN A 53 9.437 -2.983 13.976 1.00 0.00 N ATOM 0 H GLN A 53 13.422 -1.560 11.958 1.00 0.00 H new ATOM 0 HA GLN A 53 11.259 -3.385 12.520 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.285 -1.030 13.298 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.329 -0.469 11.639 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.084 -0.229 12.222 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.103 -1.731 11.319 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.353 -3.252 13.617 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.029 -3.489 14.762 1.00 0.00 H new ATOM 817 N ARG A 54 12.057 -2.634 9.471 1.00 0.00 N ATOM 818 CA ARG A 54 11.751 -2.773 8.047 1.00 0.00 C ATOM 819 C ARG A 54 11.176 -4.136 7.690 1.00 0.00 C ATOM 820 O ARG A 54 10.100 -4.219 7.104 1.00 0.00 O ATOM 821 CB ARG A 54 12.991 -2.498 7.193 1.00 0.00 C ATOM 822 CG ARG A 54 13.247 -1.019 6.982 1.00 0.00 C ATOM 823 CD ARG A 54 14.377 -0.762 6.004 1.00 0.00 C ATOM 824 NE ARG A 54 15.695 -0.875 6.624 1.00 0.00 N ATOM 825 CZ ARG A 54 16.669 0.020 6.445 1.00 0.00 C ATOM 826 NH1 ARG A 54 16.407 1.169 5.828 1.00 0.00 N ATOM 827 NH2 ARG A 54 17.883 -0.209 6.930 1.00 0.00 N ATOM 0 H ARG A 54 12.999 -2.292 9.661 1.00 0.00 H new ATOM 0 HA ARG A 54 10.983 -2.030 7.831 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.862 -2.948 7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.873 -2.983 6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.337 -0.544 6.615 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.485 -0.554 7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.306 -1.471 5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.264 0.235 5.579 1.00 0.00 H new ATOM 0 HE ARG A 54 15.880 -1.679 7.224 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.464 1.364 5.493 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.149 1.855 5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.074 -1.071 7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.625 0.477 6.792 1.00 0.00 H new ATOM 841 N LYS A 55 11.880 -5.198 8.051 1.00 0.00 N ATOM 842 CA LYS A 55 11.466 -6.544 7.665 1.00 0.00 C ATOM 843 C LYS A 55 10.118 -6.889 8.296 1.00 0.00 C ATOM 844 O LYS A 55 9.235 -7.447 7.640 1.00 0.00 O ATOM 845 CB LYS A 55 12.538 -7.564 8.075 1.00 0.00 C ATOM 846 CG LYS A 55 12.614 -8.787 7.166 1.00 0.00 C ATOM 847 CD LYS A 55 11.445 -9.734 7.365 1.00 0.00 C ATOM 848 CE LYS A 55 11.483 -10.873 6.360 1.00 0.00 C ATOM 849 NZ LYS A 55 10.477 -11.920 6.659 1.00 0.00 N ATOM 0 H LYS A 55 12.735 -5.158 8.606 1.00 0.00 H new ATOM 0 HA LYS A 55 11.352 -6.580 6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.510 -7.070 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.339 -7.894 9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.640 -8.461 6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.545 -9.320 7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.469 -10.138 8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.508 -9.186 7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.307 -10.478 5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.478 -11.318 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.700 -12.780 6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.493 -12.137 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.531 -11.579 6.393 1.00 0.00 H new ATOM 863 N LEU A 56 9.954 -6.519 9.559 1.00 0.00 N ATOM 864 CA LEU A 56 8.747 -6.843 10.302 1.00 0.00 C ATOM 865 C LEU A 56 7.564 -6.017 9.797 1.00 0.00 C ATOM 866 O LEU A 56 6.510 -6.563 9.473 1.00 0.00 O ATOM 867 CB LEU A 56 8.977 -6.597 11.802 1.00 0.00 C ATOM 868 CG LEU A 56 8.127 -7.440 12.767 1.00 0.00 C ATOM 869 CD1 LEU A 56 8.584 -7.218 14.201 1.00 0.00 C ATOM 870 CD2 LEU A 56 6.645 -7.116 12.637 1.00 0.00 C ATOM 0 H LEU A 56 10.646 -5.992 10.091 1.00 0.00 H new ATOM 0 HA LEU A 56 8.512 -7.896 10.149 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.029 -6.781 12.022 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.787 -5.544 12.009 1.00 0.00 H new ATOM 0 HG LEU A 56 8.266 -8.488 12.502 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.974 -7.820 14.875 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.630 -7.510 14.299 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.476 -6.164 14.458 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.076 -7.731 13.334 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.481 -6.063 12.865 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.315 -7.322 11.619 1.00 0.00 H new ATOM 882 N ILE A 57 7.747 -4.702 9.704 1.00 0.00 N ATOM 883 CA ILE A 57 6.655 -3.805 9.343 1.00 0.00 C ATOM 884 C ILE A 57 6.200 -4.043 7.902 1.00 0.00 C ATOM 885 O ILE A 57 5.016 -3.923 7.593 1.00 0.00 O ATOM 886 CB ILE A 57 7.039 -2.313 9.546 1.00 0.00 C ATOM 887 CG1 ILE A 57 5.783 -1.448 9.658 1.00 0.00 C ATOM 888 CG2 ILE A 57 7.918 -1.801 8.410 1.00 0.00 C ATOM 889 CD1 ILE A 57 6.078 0.017 9.887 1.00 0.00 C ATOM 0 H ILE A 57 8.639 -4.236 9.873 1.00 0.00 H new ATOM 0 HA ILE A 57 5.825 -4.030 10.013 1.00 0.00 H new ATOM 0 HB ILE A 57 7.608 -2.245 10.473 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.196 -1.554 8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.168 -1.819 10.478 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.167 -0.754 8.586 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.835 -2.389 8.366 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.382 -1.893 7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.141 0.570 9.956 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.639 0.135 10.814 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.667 0.404 9.055 1.00 0.00 H new ATOM 901 N ALA A 58 7.140 -4.409 7.034 1.00 0.00 N ATOM 902 CA ALA A 58 6.831 -4.681 5.637 1.00 0.00 C ATOM 903 C ALA A 58 5.985 -5.940 5.512 1.00 0.00 C ATOM 904 O ALA A 58 4.962 -5.956 4.826 1.00 0.00 O ATOM 905 CB ALA A 58 8.113 -4.819 4.828 1.00 0.00 C ATOM 0 H ALA A 58 8.124 -4.524 7.277 1.00 0.00 H new ATOM 0 HA ALA A 58 6.259 -3.842 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.866 -5.022 3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.685 -3.893 4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.708 -5.641 5.226 1.00 0.00 H new ATOM 911 N GLU A 59 6.415 -6.990 6.198 1.00 0.00 N ATOM 912 CA GLU A 59 5.702 -8.256 6.187 1.00 0.00 C ATOM 913 C GLU A 59 4.348 -8.100 6.873 1.00 0.00 C ATOM 914 O GLU A 59 3.339 -8.624 6.403 1.00 0.00 O ATOM 915 CB GLU A 59 6.548 -9.333 6.867 1.00 0.00 C ATOM 916 CG GLU A 59 5.983 -10.736 6.742 1.00 0.00 C ATOM 917 CD GLU A 59 7.017 -11.790 7.066 1.00 0.00 C ATOM 918 OE1 GLU A 59 7.840 -12.106 6.186 1.00 0.00 O ATOM 919 OE2 GLU A 59 7.019 -12.307 8.199 1.00 0.00 O ATOM 0 H GLU A 59 7.259 -6.988 6.771 1.00 0.00 H new ATOM 0 HA GLU A 59 5.523 -8.564 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.550 -9.317 6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.649 -9.087 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.131 -10.845 7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.613 -10.890 5.728 1.00 0.00 H new ATOM 926 N LYS A 60 4.337 -7.348 7.970 1.00 0.00 N ATOM 927 CA LYS A 60 3.107 -7.027 8.688 1.00 0.00 C ATOM 928 C LYS A 60 2.111 -6.347 7.754 1.00 0.00 C ATOM 929 O LYS A 60 0.941 -6.723 7.692 1.00 0.00 O ATOM 930 CB LYS A 60 3.420 -6.101 9.871 1.00 0.00 C ATOM 931 CG LYS A 60 2.198 -5.711 10.693 1.00 0.00 C ATOM 932 CD LYS A 60 2.540 -4.681 11.762 1.00 0.00 C ATOM 933 CE LYS A 60 2.905 -3.331 11.156 1.00 0.00 C ATOM 934 NZ LYS A 60 3.283 -2.343 12.201 1.00 0.00 N ATOM 0 H LYS A 60 5.177 -6.945 8.385 1.00 0.00 H new ATOM 0 HA LYS A 60 2.668 -7.953 9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.142 -6.593 10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.896 -5.196 9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.430 -5.308 10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.779 -6.600 11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.690 -4.559 12.434 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.372 -5.045 12.364 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.733 -3.457 10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.060 -2.949 10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.622 -1.470 11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.454 -2.127 12.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.038 -2.739 12.796 1.00 0.00 H new ATOM 948 N PHE A 61 2.598 -5.354 7.025 1.00 0.00 N ATOM 949 CA PHE A 61 1.773 -4.595 6.099 1.00 0.00 C ATOM 950 C PHE A 61 1.210 -5.492 5.000 1.00 0.00 C ATOM 951 O PHE A 61 0.020 -5.441 4.696 1.00 0.00 O ATOM 952 CB PHE A 61 2.598 -3.459 5.491 1.00 0.00 C ATOM 953 CG PHE A 61 1.862 -2.648 4.466 1.00 0.00 C ATOM 954 CD1 PHE A 61 0.898 -1.732 4.849 1.00 0.00 C ATOM 955 CD2 PHE A 61 2.133 -2.805 3.119 1.00 0.00 C ATOM 956 CE1 PHE A 61 0.221 -0.987 3.908 1.00 0.00 C ATOM 957 CE2 PHE A 61 1.459 -2.061 2.174 1.00 0.00 C ATOM 958 CZ PHE A 61 0.502 -1.151 2.567 1.00 0.00 C ATOM 0 H PHE A 61 3.572 -5.053 7.059 1.00 0.00 H new ATOM 0 HA PHE A 61 0.930 -4.175 6.648 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.931 -2.798 6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.493 -3.880 5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.674 -1.600 5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.881 -3.518 2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.529 -0.275 4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.681 -2.192 1.125 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.027 -0.568 1.828 1.00 0.00 H new ATOM 968 N ALA A 62 2.069 -6.315 4.416 1.00 0.00 N ATOM 969 CA ALA A 62 1.659 -7.207 3.339 1.00 0.00 C ATOM 970 C ALA A 62 0.605 -8.202 3.820 1.00 0.00 C ATOM 971 O ALA A 62 -0.381 -8.456 3.129 1.00 0.00 O ATOM 972 CB ALA A 62 2.864 -7.936 2.764 1.00 0.00 C ATOM 0 H ALA A 62 3.055 -6.384 4.669 1.00 0.00 H new ATOM 0 HA ALA A 62 1.212 -6.602 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.540 -8.598 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.575 -7.210 2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.342 -8.524 3.548 1.00 0.00 H new ATOM 978 N GLN A 63 0.807 -8.750 5.010 1.00 0.00 N ATOM 979 CA GLN A 63 -0.146 -9.695 5.583 1.00 0.00 C ATOM 980 C GLN A 63 -1.462 -9.000 5.928 1.00 0.00 C ATOM 981 O GLN A 63 -2.537 -9.583 5.791 1.00 0.00 O ATOM 982 CB GLN A 63 0.446 -10.364 6.827 1.00 0.00 C ATOM 983 CG GLN A 63 1.657 -11.236 6.529 1.00 0.00 C ATOM 984 CD GLN A 63 1.311 -12.469 5.710 1.00 0.00 C ATOM 985 OE1 GLN A 63 2.112 -12.925 4.892 1.00 0.00 O ATOM 986 NE2 GLN A 63 0.145 -13.047 5.959 1.00 0.00 N ATOM 0 H GLN A 63 1.619 -8.559 5.597 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.352 -10.463 4.838 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.731 -9.593 7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.322 -10.973 7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.400 -10.646 5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.115 -11.547 7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.491 -12.638 6.644 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.117 -13.901 5.466 1.00 0.00 H new ATOM 995 N ALA A 64 -1.372 -7.745 6.358 1.00 0.00 N ATOM 996 CA ALA A 64 -2.559 -6.947 6.653 1.00 0.00 C ATOM 997 C ALA A 64 -3.350 -6.662 5.380 1.00 0.00 C ATOM 998 O ALA A 64 -4.578 -6.573 5.402 1.00 0.00 O ATOM 999 CB ALA A 64 -2.167 -5.646 7.338 1.00 0.00 C ATOM 0 H ALA A 64 -0.489 -7.258 6.510 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.195 -7.518 7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.063 -5.063 7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.648 -5.868 8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.509 -5.074 6.684 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.638 -6.535 4.268 1.00 0.00 N ATOM 1006 CA LEU A 65 -3.267 -6.276 2.981 1.00 0.00 C ATOM 1007 C LEU A 65 -3.960 -7.536 2.463 1.00 0.00 C ATOM 1008 O LEU A 65 -4.987 -7.463 1.791 1.00 0.00 O ATOM 1009 CB LEU A 65 -2.217 -5.789 1.976 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.781 -5.177 0.692 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.681 -4.003 1.027 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.656 -4.730 -0.230 1.00 0.00 C ATOM 0 H LEU A 65 -1.621 -6.608 4.232 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.021 -5.499 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.584 -5.048 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.576 -6.629 1.708 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.367 -5.937 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.077 -3.574 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.506 -4.344 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.108 -3.246 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.079 -4.298 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.045 -3.983 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.037 -5.588 -0.491 1.00 0.00 H new ATOM 1024 N MET A 66 -3.402 -8.693 2.806 1.00 0.00 N ATOM 1025 CA MET A 66 -3.952 -9.971 2.362 1.00 0.00 C ATOM 1026 C MET A 66 -5.122 -10.409 3.241 1.00 0.00 C ATOM 1027 O MET A 66 -5.945 -11.228 2.832 1.00 0.00 O ATOM 1028 CB MET A 66 -2.868 -11.051 2.359 1.00 0.00 C ATOM 1029 CG MET A 66 -1.734 -10.754 1.392 1.00 0.00 C ATOM 1030 SD MET A 66 -2.302 -10.615 -0.313 1.00 0.00 S ATOM 1031 CE MET A 66 -0.830 -9.963 -1.097 1.00 0.00 C ATOM 0 H MET A 66 -2.569 -8.773 3.390 1.00 0.00 H new ATOM 0 HA MET A 66 -4.322 -9.835 1.346 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.462 -11.153 3.365 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.318 -12.009 2.098 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.244 -9.826 1.685 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.986 -11.544 1.460 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.018 -9.820 -2.161 1.00 0.00 H new ATOM 0 HE2 MET A 66 -0.569 -9.007 -0.643 1.00 0.00 H new ATOM 0 HE3 MET A 66 -0.006 -10.665 -0.965 1.00 0.00 H new ATOM 1041 N SER A 67 -5.198 -9.870 4.450 1.00 0.00 N ATOM 1042 CA SER A 67 -6.299 -10.185 5.349 1.00 0.00 C ATOM 1043 C SER A 67 -7.473 -9.238 5.114 1.00 0.00 C ATOM 1044 O SER A 67 -8.623 -9.572 5.403 1.00 0.00 O ATOM 1045 CB SER A 67 -5.832 -10.137 6.803 1.00 0.00 C ATOM 1046 OG SER A 67 -4.962 -9.042 7.023 1.00 0.00 O ATOM 0 H SER A 67 -4.514 -9.216 4.829 1.00 0.00 H new ATOM 0 HA SER A 67 -6.641 -11.198 5.139 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.696 -10.058 7.463 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.322 -11.067 7.055 1.00 0.00 H new ATOM 0 HG SER A 67 -4.063 -9.270 6.707 1.00 0.00 H new ATOM 1052 N SER A 68 -7.179 -8.059 4.572 1.00 0.00 N ATOM 1053 CA SER A 68 -8.219 -7.115 4.193 1.00 0.00 C ATOM 1054 C SER A 68 -8.600 -7.321 2.728 1.00 0.00 C ATOM 1055 O SER A 68 -9.401 -6.573 2.164 1.00 0.00 O ATOM 1056 CB SER A 68 -7.742 -5.677 4.433 1.00 0.00 C ATOM 1057 OG SER A 68 -6.469 -5.455 3.849 1.00 0.00 O ATOM 0 H SER A 68 -6.229 -7.737 4.387 1.00 0.00 H new ATOM 0 HA SER A 68 -9.101 -7.290 4.809 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.464 -4.977 4.014 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.693 -5.481 5.504 1.00 0.00 H new ATOM 0 HG SER A 68 -5.768 -5.685 4.494 1.00 0.00 H new ATOM 1063 N LEU A 69 -8.020 -8.354 2.129 1.00 0.00 N ATOM 1064 CA LEU A 69 -8.275 -8.688 0.739 1.00 0.00 C ATOM 1065 C LEU A 69 -9.639 -9.355 0.590 1.00 0.00 C ATOM 1066 O LEU A 69 -9.795 -10.552 0.845 1.00 0.00 O ATOM 1067 CB LEU A 69 -7.171 -9.606 0.200 1.00 0.00 C ATOM 1068 CG LEU A 69 -7.285 -9.977 -1.283 1.00 0.00 C ATOM 1069 CD1 LEU A 69 -7.125 -8.743 -2.155 1.00 0.00 C ATOM 1070 CD2 LEU A 69 -6.247 -11.026 -1.649 1.00 0.00 C ATOM 0 H LEU A 69 -7.362 -8.980 2.594 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.277 -7.766 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.208 -9.121 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.168 -10.524 0.787 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.276 -10.396 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.209 -9.026 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.904 -8.021 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.147 -8.296 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.341 -11.278 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.249 -10.632 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.406 -11.921 -1.047 1.00 0.00 H new ATOM 1440 N THR B 8 2.957 9.319 -17.013 1.00 0.00 N ATOM 1441 CA THR B 8 3.993 10.338 -17.004 1.00 0.00 C ATOM 1442 C THR B 8 4.781 10.301 -15.695 1.00 0.00 C ATOM 1443 O THR B 8 4.210 10.408 -14.607 1.00 0.00 O ATOM 1444 CB THR B 8 3.398 11.741 -17.225 1.00 0.00 C ATOM 1445 OG1 THR B 8 2.047 11.780 -16.746 1.00 0.00 O ATOM 1446 CG2 THR B 8 3.431 12.121 -18.694 1.00 0.00 C ATOM 0 HA THR B 8 4.673 10.122 -17.828 1.00 0.00 H new ATOM 0 HB THR B 8 4.003 12.458 -16.670 1.00 0.00 H new ATOM 0 HG1 THR B 8 1.727 10.866 -16.595 1.00 0.00 H new ATOM 0 HG21 THR B 8 3.005 13.116 -18.822 1.00 0.00 H new ATOM 0 HG22 THR B 8 4.462 12.120 -19.047 1.00 0.00 H new ATOM 0 HG23 THR B 8 2.849 11.401 -19.269 1.00 0.00 H new ATOM 1454 N ASP B 9 6.095 10.145 -15.817 1.00 0.00 N ATOM 1455 CA ASP B 9 6.987 10.004 -14.665 1.00 0.00 C ATOM 1456 C ASP B 9 6.889 11.205 -13.732 1.00 0.00 C ATOM 1457 O ASP B 9 6.877 11.054 -12.507 1.00 0.00 O ATOM 1458 CB ASP B 9 8.435 9.840 -15.135 1.00 0.00 C ATOM 1459 CG ASP B 9 8.617 8.667 -16.081 1.00 0.00 C ATOM 1460 OD1 ASP B 9 8.291 8.808 -17.278 1.00 0.00 O ATOM 1461 OD2 ASP B 9 9.101 7.607 -15.643 1.00 0.00 O ATOM 0 H ASP B 9 6.575 10.112 -16.717 1.00 0.00 H new ATOM 0 HA ASP B 9 6.676 9.116 -14.115 1.00 0.00 H new ATOM 0 HB2 ASP B 9 8.757 10.755 -15.632 1.00 0.00 H new ATOM 0 HB3 ASP B 9 9.081 9.705 -14.267 1.00 0.00 H new ATOM 1466 N GLU B 10 6.819 12.395 -14.316 1.00 0.00 N ATOM 1467 CA GLU B 10 6.724 13.623 -13.537 1.00 0.00 C ATOM 1468 C GLU B 10 5.393 13.697 -12.798 1.00 0.00 C ATOM 1469 O GLU B 10 5.344 14.108 -11.642 1.00 0.00 O ATOM 1470 CB GLU B 10 6.890 14.845 -14.439 1.00 0.00 C ATOM 1471 CG GLU B 10 8.236 14.911 -15.137 1.00 0.00 C ATOM 1472 CD GLU B 10 8.378 16.151 -15.990 1.00 0.00 C ATOM 1473 OE1 GLU B 10 7.946 16.127 -17.161 1.00 0.00 O ATOM 1474 OE2 GLU B 10 8.925 17.159 -15.495 1.00 0.00 O ATOM 0 H GLU B 10 6.826 12.536 -15.326 1.00 0.00 H new ATOM 0 HA GLU B 10 7.528 13.616 -12.801 1.00 0.00 H new ATOM 0 HB2 GLU B 10 6.101 14.840 -15.191 1.00 0.00 H new ATOM 0 HB3 GLU B 10 6.756 15.747 -13.842 1.00 0.00 H new ATOM 0 HG2 GLU B 10 9.031 14.892 -14.392 1.00 0.00 H new ATOM 0 HG3 GLU B 10 8.363 14.026 -15.761 1.00 0.00 H new ATOM 1481 N GLN B 11 4.323 13.282 -13.470 1.00 0.00 N ATOM 1482 CA GLN B 11 2.991 13.285 -12.879 1.00 0.00 C ATOM 1483 C GLN B 11 2.986 12.458 -11.602 1.00 0.00 C ATOM 1484 O GLN B 11 2.478 12.894 -10.566 1.00 0.00 O ATOM 1485 CB GLN B 11 1.977 12.714 -13.869 1.00 0.00 C ATOM 1486 CG GLN B 11 0.535 12.800 -13.395 1.00 0.00 C ATOM 1487 CD GLN B 11 0.051 14.230 -13.280 1.00 0.00 C ATOM 1488 OE1 GLN B 11 0.177 14.862 -12.232 1.00 0.00 O ATOM 1489 NE2 GLN B 11 -0.513 14.748 -14.356 1.00 0.00 N ATOM 0 H GLN B 11 4.355 12.938 -14.430 1.00 0.00 H new ATOM 0 HA GLN B 11 2.715 14.312 -12.640 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.070 13.246 -14.816 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.223 11.670 -14.064 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -0.106 12.257 -14.089 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.444 12.309 -12.426 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -0.598 14.190 -15.206 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -0.863 15.706 -14.337 1.00 0.00 H new ATOM 1498 N VAL B 12 3.581 11.274 -11.685 1.00 0.00 N ATOM 1499 CA VAL B 12 3.687 10.377 -10.540 1.00 0.00 C ATOM 1500 C VAL B 12 4.411 11.068 -9.387 1.00 0.00 C ATOM 1501 O VAL B 12 3.948 11.048 -8.245 1.00 0.00 O ATOM 1502 CB VAL B 12 4.446 9.079 -10.903 1.00 0.00 C ATOM 1503 CG1 VAL B 12 4.509 8.137 -9.706 1.00 0.00 C ATOM 1504 CG2 VAL B 12 3.802 8.389 -12.101 1.00 0.00 C ATOM 0 H VAL B 12 4.001 10.910 -12.541 1.00 0.00 H new ATOM 0 HA VAL B 12 2.672 10.117 -10.239 1.00 0.00 H new ATOM 0 HB VAL B 12 5.466 9.349 -11.177 1.00 0.00 H new ATOM 0 HG11 VAL B 12 5.047 7.231 -9.984 1.00 0.00 H new ATOM 0 HG12 VAL B 12 5.027 8.629 -8.883 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.497 7.877 -9.394 1.00 0.00 H new ATOM 0 HG21 VAL B 12 4.354 7.479 -12.337 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.769 8.136 -11.863 1.00 0.00 H new ATOM 0 HG23 VAL B 12 3.822 9.059 -12.961 1.00 0.00 H new ATOM 1514 N GLU B 13 5.537 11.700 -9.705 1.00 0.00 N ATOM 1515 CA GLU B 13 6.361 12.363 -8.699 1.00 0.00 C ATOM 1516 C GLU B 13 5.605 13.513 -8.030 1.00 0.00 C ATOM 1517 O GLU B 13 5.736 13.736 -6.825 1.00 0.00 O ATOM 1518 CB GLU B 13 7.645 12.893 -9.337 1.00 0.00 C ATOM 1519 CG GLU B 13 8.664 13.393 -8.326 1.00 0.00 C ATOM 1520 CD GLU B 13 9.752 14.233 -8.957 1.00 0.00 C ATOM 1521 OE1 GLU B 13 10.639 13.667 -9.628 1.00 0.00 O ATOM 1522 OE2 GLU B 13 9.721 15.471 -8.784 1.00 0.00 O ATOM 0 H GLU B 13 5.901 11.767 -10.656 1.00 0.00 H new ATOM 0 HA GLU B 13 6.611 11.627 -7.934 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.097 12.102 -9.935 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.394 13.705 -10.019 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.154 13.981 -7.563 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.117 12.540 -7.821 1.00 0.00 H new ATOM 1529 N LYS B 14 4.821 14.244 -8.817 1.00 0.00 N ATOM 1530 CA LYS B 14 4.050 15.371 -8.298 1.00 0.00 C ATOM 1531 C LYS B 14 2.979 14.889 -7.327 1.00 0.00 C ATOM 1532 O LYS B 14 2.820 15.443 -6.239 1.00 0.00 O ATOM 1533 CB LYS B 14 3.396 16.161 -9.437 1.00 0.00 C ATOM 1534 CG LYS B 14 4.387 16.817 -10.386 1.00 0.00 C ATOM 1535 CD LYS B 14 5.354 17.726 -9.646 1.00 0.00 C ATOM 1536 CE LYS B 14 6.287 18.441 -10.609 1.00 0.00 C ATOM 1537 NZ LYS B 14 7.311 19.249 -9.898 1.00 0.00 N ATOM 0 H LYS B 14 4.702 14.077 -9.816 1.00 0.00 H new ATOM 0 HA LYS B 14 4.740 16.028 -7.769 1.00 0.00 H new ATOM 0 HB2 LYS B 14 2.753 15.491 -10.007 1.00 0.00 H new ATOM 0 HB3 LYS B 14 2.755 16.931 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.946 16.047 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.846 17.394 -11.136 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.795 18.460 -9.066 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.939 17.139 -8.938 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.782 17.708 -11.245 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.704 19.089 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 7.926 19.719 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.840 19.966 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 7.885 18.628 -9.293 1.00 0.00 H new ATOM 1551 N ILE B 15 2.259 13.845 -7.724 1.00 0.00 N ATOM 1552 CA ILE B 15 1.208 13.282 -6.886 1.00 0.00 C ATOM 1553 C ILE B 15 1.786 12.799 -5.559 1.00 0.00 C ATOM 1554 O ILE B 15 1.212 13.038 -4.496 1.00 0.00 O ATOM 1555 CB ILE B 15 0.487 12.107 -7.589 1.00 0.00 C ATOM 1556 CG1 ILE B 15 -0.104 12.567 -8.924 1.00 0.00 C ATOM 1557 CG2 ILE B 15 -0.609 11.542 -6.696 1.00 0.00 C ATOM 1558 CD1 ILE B 15 -0.767 11.458 -9.715 1.00 0.00 C ATOM 0 H ILE B 15 2.384 13.373 -8.619 1.00 0.00 H new ATOM 0 HA ILE B 15 0.481 14.073 -6.703 1.00 0.00 H new ATOM 0 HB ILE B 15 1.217 11.321 -7.782 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -0.835 13.353 -8.735 1.00 0.00 H new ATOM 0 HG13 ILE B 15 0.689 13.008 -9.529 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -1.105 10.717 -7.207 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -0.170 11.182 -5.765 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -1.337 12.323 -6.476 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -1.161 11.862 -10.648 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -0.035 10.681 -9.937 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -1.583 11.032 -9.131 1.00 0.00 H new ATOM 1570 N LEU B 16 2.937 12.135 -5.629 1.00 0.00 N ATOM 1571 CA LEU B 16 3.622 11.651 -4.434 1.00 0.00 C ATOM 1572 C LEU B 16 3.903 12.792 -3.461 1.00 0.00 C ATOM 1573 O LEU B 16 3.699 12.653 -2.257 1.00 0.00 O ATOM 1574 CB LEU B 16 4.935 10.963 -4.810 1.00 0.00 C ATOM 1575 CG LEU B 16 4.790 9.646 -5.572 1.00 0.00 C ATOM 1576 CD1 LEU B 16 6.154 9.128 -5.993 1.00 0.00 C ATOM 1577 CD2 LEU B 16 4.069 8.619 -4.711 1.00 0.00 C ATOM 0 H LEU B 16 3.416 11.919 -6.503 1.00 0.00 H new ATOM 0 HA LEU B 16 2.966 10.931 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.525 11.651 -5.416 1.00 0.00 H new ATOM 0 HB3 LEU B 16 5.501 10.775 -3.898 1.00 0.00 H new ATOM 0 HG LEU B 16 4.198 9.822 -6.470 1.00 0.00 H new ATOM 0 HD11 LEU B 16 6.036 8.190 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.638 9.861 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU B 16 6.769 8.961 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU B 16 3.971 7.685 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU B 16 4.640 8.443 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU B 16 3.078 8.993 -4.452 1.00 0.00 H new ATOM 1589 N ALA B 17 4.358 13.920 -3.997 1.00 0.00 N ATOM 1590 CA ALA B 17 4.689 15.080 -3.182 1.00 0.00 C ATOM 1591 C ALA B 17 3.456 15.614 -2.457 1.00 0.00 C ATOM 1592 O ALA B 17 3.502 15.888 -1.256 1.00 0.00 O ATOM 1593 CB ALA B 17 5.309 16.169 -4.042 1.00 0.00 C ATOM 0 H ALA B 17 4.506 14.054 -4.997 1.00 0.00 H new ATOM 0 HA ALA B 17 5.414 14.769 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.551 17.030 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.219 15.791 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.602 16.468 -4.816 1.00 0.00 H new ATOM 1599 N GLU B 18 2.352 15.740 -3.185 1.00 0.00 N ATOM 1600 CA GLU B 18 1.114 16.255 -2.607 1.00 0.00 C ATOM 1601 C GLU B 18 0.553 15.292 -1.562 1.00 0.00 C ATOM 1602 O GLU B 18 0.114 15.718 -0.494 1.00 0.00 O ATOM 1603 CB GLU B 18 0.082 16.521 -3.705 1.00 0.00 C ATOM 1604 CG GLU B 18 0.510 17.613 -4.668 1.00 0.00 C ATOM 1605 CD GLU B 18 -0.514 17.887 -5.748 1.00 0.00 C ATOM 1606 OE1 GLU B 18 -1.437 18.695 -5.513 1.00 0.00 O ATOM 1607 OE2 GLU B 18 -0.388 17.318 -6.849 1.00 0.00 O ATOM 0 H GLU B 18 2.288 15.494 -4.173 1.00 0.00 H new ATOM 0 HA GLU B 18 1.340 17.197 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.093 15.601 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.866 16.800 -3.245 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.694 18.530 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU B 18 1.454 17.329 -5.134 1.00 0.00 H new ATOM 1614 N VAL B 19 0.584 13.998 -1.864 1.00 0.00 N ATOM 1615 CA VAL B 19 0.122 12.983 -0.921 1.00 0.00 C ATOM 1616 C VAL B 19 0.979 12.990 0.346 1.00 0.00 C ATOM 1617 O VAL B 19 0.457 12.974 1.465 1.00 0.00 O ATOM 1618 CB VAL B 19 0.145 11.574 -1.553 1.00 0.00 C ATOM 1619 CG1 VAL B 19 -0.176 10.506 -0.517 1.00 0.00 C ATOM 1620 CG2 VAL B 19 -0.837 11.492 -2.711 1.00 0.00 C ATOM 0 H VAL B 19 0.923 13.627 -2.752 1.00 0.00 H new ATOM 0 HA VAL B 19 -0.907 13.229 -0.659 1.00 0.00 H new ATOM 0 HB VAL B 19 1.151 11.393 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -0.153 9.523 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL B 19 0.563 10.542 0.283 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -1.168 10.687 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.807 10.492 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -1.844 11.701 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.565 12.225 -3.471 1.00 0.00 H new ATOM 1630 N ALA B 20 2.295 13.036 0.163 1.00 0.00 N ATOM 1631 CA ALA B 20 3.225 13.070 1.285 1.00 0.00 C ATOM 1632 C ALA B 20 3.033 14.335 2.112 1.00 0.00 C ATOM 1633 O ALA B 20 3.206 14.324 3.330 1.00 0.00 O ATOM 1634 CB ALA B 20 4.661 12.973 0.791 1.00 0.00 C ATOM 0 H ALA B 20 2.741 13.051 -0.754 1.00 0.00 H new ATOM 0 HA ALA B 20 3.017 12.211 1.923 1.00 0.00 H new ATOM 0 HB1 ALA B 20 5.341 13.000 1.642 1.00 0.00 H new ATOM 0 HB2 ALA B 20 4.796 12.038 0.248 1.00 0.00 H new ATOM 0 HB3 ALA B 20 4.875 13.812 0.129 1.00 0.00 H new ATOM 1640 N LEU B 21 2.662 15.424 1.447 1.00 0.00 N ATOM 1641 CA LEU B 21 2.440 16.686 2.133 1.00 0.00 C ATOM 1642 C LEU B 21 1.235 16.597 3.061 1.00 0.00 C ATOM 1643 O LEU B 21 1.244 17.169 4.149 1.00 0.00 O ATOM 1644 CB LEU B 21 2.231 17.828 1.143 1.00 0.00 C ATOM 1645 CG LEU B 21 2.094 19.202 1.795 1.00 0.00 C ATOM 1646 CD1 LEU B 21 3.440 19.704 2.292 1.00 0.00 C ATOM 1647 CD2 LEU B 21 1.474 20.187 0.831 1.00 0.00 C ATOM 0 H LEU B 21 2.510 15.456 0.439 1.00 0.00 H new ATOM 0 HA LEU B 21 3.333 16.891 2.723 1.00 0.00 H new ATOM 0 HB2 LEU B 21 3.070 17.850 0.448 1.00 0.00 H new ATOM 0 HB3 LEU B 21 1.335 17.626 0.555 1.00 0.00 H new ATOM 0 HG LEU B 21 1.434 19.106 2.657 1.00 0.00 H new ATOM 0 HD11 LEU B 21 3.315 20.684 2.752 1.00 0.00 H new ATOM 0 HD12 LEU B 21 3.840 19.006 3.028 1.00 0.00 H new ATOM 0 HD13 LEU B 21 4.131 19.782 1.453 1.00 0.00 H new ATOM 0 HD21 LEU B 21 1.384 21.160 1.313 1.00 0.00 H new ATOM 0 HD22 LEU B 21 2.105 20.277 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU B 21 0.485 19.835 0.537 1.00 0.00 H new ATOM 1659 N VAL B 22 0.197 15.885 2.631 1.00 0.00 N ATOM 1660 CA VAL B 22 -0.985 15.687 3.464 1.00 0.00 C ATOM 1661 C VAL B 22 -0.590 14.984 4.757 1.00 0.00 C ATOM 1662 O VAL B 22 -1.035 15.350 5.848 1.00 0.00 O ATOM 1663 CB VAL B 22 -2.070 14.859 2.736 1.00 0.00 C ATOM 1664 CG1 VAL B 22 -3.287 14.658 3.626 1.00 0.00 C ATOM 1665 CG2 VAL B 22 -2.471 15.531 1.432 1.00 0.00 C ATOM 0 H VAL B 22 0.150 15.438 1.716 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.404 16.669 3.684 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.650 13.880 2.506 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.036 14.073 3.092 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.992 14.129 4.532 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.707 15.628 3.893 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.235 14.933 0.935 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -2.867 16.525 1.642 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.599 15.617 0.784 1.00 0.00 H new ATOM 1675 N LEU B 23 0.274 13.989 4.621 1.00 0.00 N ATOM 1676 CA LEU B 23 0.789 13.251 5.763 1.00 0.00 C ATOM 1677 C LEU B 23 1.647 14.163 6.635 1.00 0.00 C ATOM 1678 O LEU B 23 1.559 14.134 7.862 1.00 0.00 O ATOM 1679 CB LEU B 23 1.616 12.057 5.283 1.00 0.00 C ATOM 1680 CG LEU B 23 0.918 11.155 4.260 1.00 0.00 C ATOM 1681 CD1 LEU B 23 1.857 10.062 3.785 1.00 0.00 C ATOM 1682 CD2 LEU B 23 -0.343 10.543 4.852 1.00 0.00 C ATOM 0 H LEU B 23 0.636 13.672 3.721 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.051 12.887 6.355 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.542 12.429 4.845 1.00 0.00 H new ATOM 0 HB3 LEU B 23 1.892 11.454 6.148 1.00 0.00 H new ATOM 0 HG LEU B 23 0.635 11.769 3.405 1.00 0.00 H new ATOM 0 HD11 LEU B 23 1.344 9.431 3.059 1.00 0.00 H new ATOM 0 HD12 LEU B 23 2.733 10.512 3.319 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.169 9.456 4.635 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.822 9.906 4.108 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -0.082 9.946 5.726 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -1.029 11.337 5.146 1.00 0.00 H new ATOM 1694 N GLU B 24 2.463 14.979 5.981 1.00 0.00 N ATOM 1695 CA GLU B 24 3.348 15.911 6.668 1.00 0.00 C ATOM 1696 C GLU B 24 2.551 16.953 7.457 1.00 0.00 C ATOM 1697 O GLU B 24 2.765 17.128 8.659 1.00 0.00 O ATOM 1698 CB GLU B 24 4.257 16.614 5.655 1.00 0.00 C ATOM 1699 CG GLU B 24 5.343 17.464 6.290 1.00 0.00 C ATOM 1700 CD GLU B 24 6.399 16.630 6.985 1.00 0.00 C ATOM 1701 OE1 GLU B 24 6.244 16.345 8.189 1.00 0.00 O ATOM 1702 OE2 GLU B 24 7.398 16.269 6.333 1.00 0.00 O ATOM 0 H GLU B 24 2.530 15.014 4.964 1.00 0.00 H new ATOM 0 HA GLU B 24 3.956 15.342 7.371 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.723 15.863 5.017 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.646 17.245 5.010 1.00 0.00 H new ATOM 0 HG2 GLU B 24 5.816 18.077 5.523 1.00 0.00 H new ATOM 0 HG3 GLU B 24 4.891 18.147 7.010 1.00 0.00 H new ATOM 1709 N LYS B 25 1.629 17.638 6.776 1.00 0.00 N ATOM 1710 CA LYS B 25 0.821 18.690 7.402 1.00 0.00 C ATOM 1711 C LYS B 25 -0.032 18.154 8.551 1.00 0.00 C ATOM 1712 O LYS B 25 -0.367 18.889 9.483 1.00 0.00 O ATOM 1713 CB LYS B 25 -0.076 19.363 6.360 1.00 0.00 C ATOM 1714 CG LYS B 25 0.692 20.154 5.314 1.00 0.00 C ATOM 1715 CD LYS B 25 -0.235 20.800 4.296 1.00 0.00 C ATOM 1716 CE LYS B 25 -1.245 21.723 4.958 1.00 0.00 C ATOM 1717 NZ LYS B 25 -2.006 22.518 3.960 1.00 0.00 N ATOM 0 H LYS B 25 1.422 17.483 5.789 1.00 0.00 H new ATOM 0 HA LYS B 25 1.513 19.423 7.817 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.673 18.600 5.860 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -0.772 20.030 6.869 1.00 0.00 H new ATOM 0 HG2 LYS B 25 1.285 20.925 5.806 1.00 0.00 H new ATOM 0 HG3 LYS B 25 1.391 19.494 4.801 1.00 0.00 H new ATOM 0 HD2 LYS B 25 0.355 21.365 3.574 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -0.761 20.024 3.740 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -1.938 21.133 5.557 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -0.728 22.397 5.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -2.684 23.135 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -1.347 23.101 3.405 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -2.520 21.876 3.324 1.00 0.00 H new ATOM 1731 N HIS B 26 -0.381 16.875 8.489 1.00 0.00 N ATOM 1732 CA HIS B 26 -1.176 16.254 9.545 1.00 0.00 C ATOM 1733 C HIS B 26 -0.287 15.552 10.568 1.00 0.00 C ATOM 1734 O HIS B 26 -0.788 14.931 11.505 1.00 0.00 O ATOM 1735 CB HIS B 26 -2.186 15.259 8.963 1.00 0.00 C ATOM 1736 CG HIS B 26 -3.402 15.899 8.360 1.00 0.00 C ATOM 1737 ND1 HIS B 26 -4.506 16.239 9.105 1.00 0.00 N ATOM 1738 CD2 HIS B 26 -3.695 16.245 7.083 1.00 0.00 C ATOM 1739 CE1 HIS B 26 -5.428 16.758 8.317 1.00 0.00 C ATOM 1740 NE2 HIS B 26 -4.964 16.773 7.084 1.00 0.00 N ATOM 0 H HIS B 26 -0.129 16.249 7.724 1.00 0.00 H new ATOM 0 HA HIS B 26 -1.722 17.052 10.049 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -1.690 14.658 8.201 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -2.502 14.576 9.751 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.051 16.128 6.224 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.399 17.111 8.630 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.464 17.119 6.265 1.00 0.00 H new ATOM 1749 N ALA B 27 1.028 15.658 10.375 1.00 0.00 N ATOM 1750 CA ALA B 27 2.014 15.066 11.283 1.00 0.00 C ATOM 1751 C ALA B 27 1.754 13.578 11.507 1.00 0.00 C ATOM 1752 O ALA B 27 1.767 13.093 12.645 1.00 0.00 O ATOM 1753 CB ALA B 27 2.029 15.819 12.606 1.00 0.00 C ATOM 0 H ALA B 27 1.441 16.156 9.586 1.00 0.00 H new ATOM 0 HA ALA B 27 2.995 15.155 10.817 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.766 15.370 13.272 1.00 0.00 H new ATOM 0 HB2 ALA B 27 2.290 16.862 12.428 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.043 15.765 13.067 1.00 0.00 H new ATOM 1759 N ALA B 28 1.531 12.858 10.415 1.00 0.00 N ATOM 1760 CA ALA B 28 1.238 11.432 10.479 1.00 0.00 C ATOM 1761 C ALA B 28 2.447 10.632 10.954 1.00 0.00 C ATOM 1762 O ALA B 28 3.583 10.915 10.575 1.00 0.00 O ATOM 1763 CB ALA B 28 0.770 10.929 9.120 1.00 0.00 C ATOM 0 H ALA B 28 1.548 13.241 9.470 1.00 0.00 H new ATOM 0 HA ALA B 28 0.439 11.288 11.206 1.00 0.00 H new ATOM 0 HB1 ALA B 28 0.554 9.862 9.181 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.132 11.465 8.824 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.552 11.099 8.380 1.00 0.00 H new ATOM 1769 N SER B 29 2.189 9.645 11.801 1.00 0.00 N ATOM 1770 CA SER B 29 3.231 8.754 12.291 1.00 0.00 C ATOM 1771 C SER B 29 3.421 7.584 11.318 1.00 0.00 C ATOM 1772 O SER B 29 2.541 7.327 10.495 1.00 0.00 O ATOM 1773 CB SER B 29 2.846 8.251 13.684 1.00 0.00 C ATOM 1774 OG SER B 29 2.565 9.342 14.547 1.00 0.00 O ATOM 0 H SER B 29 1.259 9.440 12.165 1.00 0.00 H new ATOM 0 HA SER B 29 4.177 9.292 12.359 1.00 0.00 H new ATOM 0 HB2 SER B 29 1.974 7.601 13.614 1.00 0.00 H new ATOM 0 HB3 SER B 29 3.657 7.652 14.098 1.00 0.00 H new ATOM 0 HG SER B 29 2.319 9.003 15.433 1.00 0.00 H new ATOM 1780 N PRO B 30 4.568 6.876 11.386 1.00 0.00 N ATOM 1781 CA PRO B 30 4.894 5.771 10.464 1.00 0.00 C ATOM 1782 C PRO B 30 3.751 4.768 10.271 1.00 0.00 C ATOM 1783 O PRO B 30 3.378 4.458 9.138 1.00 0.00 O ATOM 1784 CB PRO B 30 6.086 5.097 11.139 1.00 0.00 C ATOM 1785 CG PRO B 30 6.755 6.191 11.894 1.00 0.00 C ATOM 1786 CD PRO B 30 5.655 7.106 12.361 1.00 0.00 C ATOM 0 HA PRO B 30 5.093 6.142 9.458 1.00 0.00 H new ATOM 0 HB2 PRO B 30 5.764 4.295 11.804 1.00 0.00 H new ATOM 0 HB3 PRO B 30 6.758 4.652 10.405 1.00 0.00 H new ATOM 0 HG2 PRO B 30 7.318 5.794 12.739 1.00 0.00 H new ATOM 0 HG3 PRO B 30 7.464 6.725 11.261 1.00 0.00 H new ATOM 0 HD2 PRO B 30 5.339 6.866 13.376 1.00 0.00 H new ATOM 0 HD3 PRO B 30 5.976 8.148 12.365 1.00 0.00 H new ATOM 1794 N GLU B 31 3.202 4.271 11.374 1.00 0.00 N ATOM 1795 CA GLU B 31 2.093 3.318 11.321 1.00 0.00 C ATOM 1796 C GLU B 31 0.902 3.907 10.562 1.00 0.00 C ATOM 1797 O GLU B 31 0.371 3.284 9.641 1.00 0.00 O ATOM 1798 CB GLU B 31 1.672 2.914 12.736 1.00 0.00 C ATOM 1799 CG GLU B 31 2.691 2.050 13.467 1.00 0.00 C ATOM 1800 CD GLU B 31 2.783 0.641 12.909 1.00 0.00 C ATOM 1801 OE1 GLU B 31 1.876 -0.174 13.190 1.00 0.00 O ATOM 1802 OE2 GLU B 31 3.760 0.330 12.198 1.00 0.00 O ATOM 0 H GLU B 31 3.505 4.511 12.318 1.00 0.00 H new ATOM 0 HA GLU B 31 2.433 2.431 10.787 1.00 0.00 H new ATOM 0 HB2 GLU B 31 1.491 3.816 13.321 1.00 0.00 H new ATOM 0 HB3 GLU B 31 0.727 2.374 12.682 1.00 0.00 H new ATOM 0 HG2 GLU B 31 3.671 2.524 13.406 1.00 0.00 H new ATOM 0 HG3 GLU B 31 2.426 2.000 14.523 1.00 0.00 H new ATOM 1809 N LEU B 32 0.496 5.117 10.944 1.00 0.00 N ATOM 1810 CA LEU B 32 -0.596 5.818 10.266 1.00 0.00 C ATOM 1811 C LEU B 32 -0.269 6.029 8.787 1.00 0.00 C ATOM 1812 O LEU B 32 -1.150 5.964 7.935 1.00 0.00 O ATOM 1813 CB LEU B 32 -0.873 7.168 10.949 1.00 0.00 C ATOM 1814 CG LEU B 32 -2.006 8.006 10.337 1.00 0.00 C ATOM 1815 CD1 LEU B 32 -3.300 7.209 10.284 1.00 0.00 C ATOM 1816 CD2 LEU B 32 -2.209 9.287 11.137 1.00 0.00 C ATOM 0 H LEU B 32 0.907 5.634 11.721 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.492 5.201 10.335 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.109 6.982 11.997 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.043 7.759 10.928 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.723 8.269 9.318 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -4.088 7.823 9.847 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.154 6.318 9.674 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.587 6.914 11.293 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.015 9.870 10.692 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.468 9.036 12.166 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.289 9.872 11.127 1.00 0.00 H new ATOM 1828 N THR B 33 1.007 6.251 8.493 1.00 0.00 N ATOM 1829 CA THR B 33 1.456 6.464 7.125 1.00 0.00 C ATOM 1830 C THR B 33 1.166 5.239 6.256 1.00 0.00 C ATOM 1831 O THR B 33 0.563 5.350 5.187 1.00 0.00 O ATOM 1832 CB THR B 33 2.964 6.776 7.087 1.00 0.00 C ATOM 1833 OG1 THR B 33 3.250 7.899 7.931 1.00 0.00 O ATOM 1834 CG2 THR B 33 3.423 7.073 5.670 1.00 0.00 C ATOM 0 H THR B 33 1.752 6.288 9.189 1.00 0.00 H new ATOM 0 HA THR B 33 0.905 7.317 6.728 1.00 0.00 H new ATOM 0 HB THR B 33 3.503 5.900 7.448 1.00 0.00 H new ATOM 0 HG1 THR B 33 3.113 7.647 8.868 1.00 0.00 H new ATOM 0 HG21 THR B 33 4.491 7.290 5.671 1.00 0.00 H new ATOM 0 HG22 THR B 33 3.229 6.208 5.036 1.00 0.00 H new ATOM 0 HG23 THR B 33 2.878 7.935 5.284 1.00 0.00 H new ATOM 1842 N LEU B 34 1.575 4.066 6.727 1.00 0.00 N ATOM 1843 CA LEU B 34 1.324 2.836 5.990 1.00 0.00 C ATOM 1844 C LEU B 34 -0.144 2.451 6.058 1.00 0.00 C ATOM 1845 O LEU B 34 -0.655 1.777 5.167 1.00 0.00 O ATOM 1846 CB LEU B 34 2.196 1.685 6.491 1.00 0.00 C ATOM 1847 CG LEU B 34 3.494 1.485 5.716 1.00 0.00 C ATOM 1848 CD1 LEU B 34 4.576 2.434 6.207 1.00 0.00 C ATOM 1849 CD2 LEU B 34 3.933 0.037 5.811 1.00 0.00 C ATOM 0 H LEU B 34 2.077 3.942 7.607 1.00 0.00 H new ATOM 0 HA LEU B 34 1.588 3.027 4.950 1.00 0.00 H new ATOM 0 HB2 LEU B 34 2.438 1.860 7.539 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.617 0.763 6.447 1.00 0.00 H new ATOM 0 HG LEU B 34 3.318 1.720 4.666 1.00 0.00 H new ATOM 0 HD11 LEU B 34 5.490 2.269 5.637 1.00 0.00 H new ATOM 0 HD12 LEU B 34 4.245 3.464 6.073 1.00 0.00 H new ATOM 0 HD13 LEU B 34 4.769 2.250 7.264 1.00 0.00 H new ATOM 0 HD21 LEU B 34 4.861 -0.099 5.255 1.00 0.00 H new ATOM 0 HD22 LEU B 34 4.094 -0.227 6.856 1.00 0.00 H new ATOM 0 HD23 LEU B 34 3.160 -0.606 5.390 1.00 0.00 H new ATOM 1861 N MET B 35 -0.821 2.882 7.111 1.00 0.00 N ATOM 1862 CA MET B 35 -2.257 2.682 7.219 1.00 0.00 C ATOM 1863 C MET B 35 -2.954 3.361 6.050 1.00 0.00 C ATOM 1864 O MET B 35 -3.870 2.802 5.450 1.00 0.00 O ATOM 1865 CB MET B 35 -2.784 3.246 8.537 1.00 0.00 C ATOM 1866 CG MET B 35 -4.264 2.982 8.759 1.00 0.00 C ATOM 1867 SD MET B 35 -4.899 3.774 10.248 1.00 0.00 S ATOM 1868 CE MET B 35 -3.737 3.167 11.461 1.00 0.00 C ATOM 0 H MET B 35 -0.400 3.371 7.901 1.00 0.00 H new ATOM 0 HA MET B 35 -2.464 1.612 7.197 1.00 0.00 H new ATOM 0 HB2 MET B 35 -2.218 2.812 9.361 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.607 4.321 8.560 1.00 0.00 H new ATOM 0 HG2 MET B 35 -4.826 3.339 7.896 1.00 0.00 H new ATOM 0 HG3 MET B 35 -4.431 1.907 8.826 1.00 0.00 H new ATOM 0 HE1 MET B 35 -4.219 3.125 12.438 1.00 0.00 H new ATOM 0 HE2 MET B 35 -3.403 2.169 11.178 1.00 0.00 H new ATOM 0 HE3 MET B 35 -2.878 3.836 11.509 1.00 0.00 H new ATOM 1878 N ILE B 36 -2.500 4.567 5.731 1.00 0.00 N ATOM 1879 CA ILE B 36 -3.013 5.307 4.588 1.00 0.00 C ATOM 1880 C ILE B 36 -2.755 4.535 3.296 1.00 0.00 C ATOM 1881 O ILE B 36 -3.670 4.309 2.504 1.00 0.00 O ATOM 1882 CB ILE B 36 -2.364 6.709 4.493 1.00 0.00 C ATOM 1883 CG1 ILE B 36 -2.664 7.533 5.752 1.00 0.00 C ATOM 1884 CG2 ILE B 36 -2.838 7.446 3.248 1.00 0.00 C ATOM 1885 CD1 ILE B 36 -4.140 7.707 6.036 1.00 0.00 C ATOM 0 H ILE B 36 -1.772 5.055 6.253 1.00 0.00 H new ATOM 0 HA ILE B 36 -4.087 5.431 4.727 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.285 6.575 4.418 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -2.194 7.052 6.609 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -2.206 8.517 5.648 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.367 8.428 3.205 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -2.566 6.874 2.361 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -3.921 7.564 3.285 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -4.269 8.300 6.941 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -4.614 8.217 5.197 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -4.602 6.729 6.174 1.00 0.00 H new ATOM 1897 N ALA B 37 -1.505 4.113 3.109 1.00 0.00 N ATOM 1898 CA ALA B 37 -1.112 3.359 1.917 1.00 0.00 C ATOM 1899 C ALA B 37 -1.930 2.075 1.774 1.00 0.00 C ATOM 1900 O ALA B 37 -2.463 1.786 0.701 1.00 0.00 O ATOM 1901 CB ALA B 37 0.377 3.039 1.958 1.00 0.00 C ATOM 0 H ALA B 37 -0.745 4.280 3.769 1.00 0.00 H new ATOM 0 HA ALA B 37 -1.315 3.982 1.046 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.653 2.478 1.065 1.00 0.00 H new ATOM 0 HB2 ALA B 37 0.948 3.967 1.995 1.00 0.00 H new ATOM 0 HB3 ALA B 37 0.597 2.442 2.843 1.00 0.00 H new ATOM 1907 N GLY B 38 -2.013 1.308 2.857 1.00 0.00 N ATOM 1908 CA GLY B 38 -2.827 0.103 2.867 1.00 0.00 C ATOM 1909 C GLY B 38 -4.266 0.354 2.456 1.00 0.00 C ATOM 1910 O GLY B 38 -4.783 -0.324 1.570 1.00 0.00 O ATOM 0 H GLY B 38 -1.528 1.500 3.734 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.386 -0.632 2.194 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.811 -0.331 3.867 1.00 0.00 H new ATOM 1914 N ASN B 39 -4.907 1.343 3.080 1.00 0.00 N ATOM 1915 CA ASN B 39 -6.303 1.665 2.772 1.00 0.00 C ATOM 1916 C ASN B 39 -6.472 2.042 1.306 1.00 0.00 C ATOM 1917 O ASN B 39 -7.496 1.726 0.697 1.00 0.00 O ATOM 1918 CB ASN B 39 -6.824 2.796 3.665 1.00 0.00 C ATOM 1919 CG ASN B 39 -7.336 2.302 5.006 1.00 0.00 C ATOM 1920 OD1 ASN B 39 -8.507 1.947 5.147 1.00 0.00 O ATOM 1921 ND2 ASN B 39 -6.468 2.288 6.005 1.00 0.00 N ATOM 0 H ASN B 39 -4.486 1.933 3.798 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.890 0.768 2.970 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.025 3.519 3.831 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -7.626 3.321 3.147 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -6.761 1.976 6.931 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -5.506 2.590 5.849 1.00 0.00 H new ATOM 1928 N ILE B 40 -5.472 2.711 0.741 1.00 0.00 N ATOM 1929 CA ILE B 40 -5.491 3.040 -0.679 1.00 0.00 C ATOM 1930 C ILE B 40 -5.583 1.765 -1.512 1.00 0.00 C ATOM 1931 O ILE B 40 -6.479 1.624 -2.349 1.00 0.00 O ATOM 1932 CB ILE B 40 -4.242 3.843 -1.110 1.00 0.00 C ATOM 1933 CG1 ILE B 40 -4.221 5.222 -0.445 1.00 0.00 C ATOM 1934 CG2 ILE B 40 -4.189 3.984 -2.627 1.00 0.00 C ATOM 1935 CD1 ILE B 40 -3.013 6.050 -0.820 1.00 0.00 C ATOM 0 H ILE B 40 -4.644 3.034 1.241 1.00 0.00 H new ATOM 0 HA ILE B 40 -6.368 3.665 -0.851 1.00 0.00 H new ATOM 0 HB ILE B 40 -3.360 3.293 -0.782 1.00 0.00 H new ATOM 0 HG12 ILE B 40 -5.125 5.765 -0.722 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -4.244 5.096 0.637 1.00 0.00 H new ATOM 0 HG21 ILE B 40 -3.303 4.552 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE B 40 -4.146 2.995 -3.083 1.00 0.00 H new ATOM 0 HG23 ILE B 40 -5.080 4.506 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE B 40 -3.062 7.014 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -2.106 5.527 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE B 40 -3.000 6.206 -1.899 1.00 0.00 H new ATOM 1947 N ALA B 41 -4.669 0.831 -1.265 1.00 0.00 N ATOM 1948 CA ALA B 41 -4.645 -0.421 -2.005 1.00 0.00 C ATOM 1949 C ALA B 41 -5.948 -1.194 -1.814 1.00 0.00 C ATOM 1950 O ALA B 41 -6.558 -1.630 -2.786 1.00 0.00 O ATOM 1951 CB ALA B 41 -3.454 -1.264 -1.581 1.00 0.00 C ATOM 0 H ALA B 41 -3.938 0.920 -0.559 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.545 -0.188 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.450 -2.197 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -2.532 -0.717 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -3.524 -1.483 -0.516 1.00 0.00 H new ATOM 1957 N THR B 42 -6.384 -1.327 -0.564 1.00 0.00 N ATOM 1958 CA THR B 42 -7.605 -2.059 -0.250 1.00 0.00 C ATOM 1959 C THR B 42 -8.822 -1.463 -0.973 1.00 0.00 C ATOM 1960 O THR B 42 -9.654 -2.196 -1.511 1.00 0.00 O ATOM 1961 CB THR B 42 -7.862 -2.080 1.271 1.00 0.00 C ATOM 1962 OG1 THR B 42 -6.697 -2.556 1.958 1.00 0.00 O ATOM 1963 CG2 THR B 42 -9.046 -2.973 1.609 1.00 0.00 C ATOM 0 H THR B 42 -5.908 -0.936 0.249 1.00 0.00 H new ATOM 0 HA THR B 42 -7.463 -3.082 -0.600 1.00 0.00 H new ATOM 0 HB THR B 42 -8.088 -1.063 1.591 1.00 0.00 H new ATOM 0 HG1 THR B 42 -6.017 -1.851 1.976 1.00 0.00 H new ATOM 0 HG21 THR B 42 -9.207 -2.971 2.687 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.939 -2.599 1.108 1.00 0.00 H new ATOM 0 HG23 THR B 42 -8.842 -3.990 1.274 1.00 0.00 H new ATOM 1971 N ASN B 43 -8.909 -0.134 -1.005 1.00 0.00 N ATOM 1972 CA ASN B 43 -10.024 0.540 -1.673 1.00 0.00 C ATOM 1973 C ASN B 43 -10.007 0.250 -3.171 1.00 0.00 C ATOM 1974 O ASN B 43 -11.049 0.022 -3.771 1.00 0.00 O ATOM 1975 CB ASN B 43 -9.976 2.052 -1.435 1.00 0.00 C ATOM 1976 CG ASN B 43 -11.127 2.797 -2.104 1.00 0.00 C ATOM 1977 OD1 ASN B 43 -10.952 3.911 -2.600 1.00 0.00 O ATOM 1978 ND2 ASN B 43 -12.316 2.207 -2.104 1.00 0.00 N ATOM 0 H ASN B 43 -8.227 0.494 -0.580 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.949 0.152 -1.247 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -9.999 2.246 -0.363 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -9.030 2.444 -1.810 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -13.118 2.677 -2.523 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -12.427 1.284 -1.685 1.00 0.00 H new ATOM 1985 N VAL B 44 -8.821 0.252 -3.766 1.00 0.00 N ATOM 1986 CA VAL B 44 -8.674 -0.056 -5.189 1.00 0.00 C ATOM 1987 C VAL B 44 -8.920 -1.538 -5.448 1.00 0.00 C ATOM 1988 O VAL B 44 -9.466 -1.914 -6.482 1.00 0.00 O ATOM 1989 CB VAL B 44 -7.271 0.336 -5.698 1.00 0.00 C ATOM 1990 CG1 VAL B 44 -7.110 0.019 -7.176 1.00 0.00 C ATOM 1991 CG2 VAL B 44 -7.004 1.810 -5.442 1.00 0.00 C ATOM 0 H VAL B 44 -7.945 0.463 -3.288 1.00 0.00 H new ATOM 0 HA VAL B 44 -9.418 0.527 -5.732 1.00 0.00 H new ATOM 0 HB VAL B 44 -6.540 -0.255 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL B 44 -6.111 0.307 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -7.250 -1.050 -7.336 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -7.853 0.572 -7.750 1.00 0.00 H new ATOM 0 HG21 VAL B 44 -6.010 2.069 -5.807 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -7.750 2.411 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -7.060 2.009 -4.372 1.00 0.00 H new ATOM 2001 N LEU B 45 -8.532 -2.376 -4.496 1.00 0.00 N ATOM 2002 CA LEU B 45 -8.794 -3.804 -4.592 1.00 0.00 C ATOM 2003 C LEU B 45 -10.296 -4.063 -4.629 1.00 0.00 C ATOM 2004 O LEU B 45 -10.749 -5.032 -5.222 1.00 0.00 O ATOM 2005 CB LEU B 45 -8.158 -4.559 -3.421 1.00 0.00 C ATOM 2006 CG LEU B 45 -6.628 -4.520 -3.374 1.00 0.00 C ATOM 2007 CD1 LEU B 45 -6.115 -5.215 -2.121 1.00 0.00 C ATOM 2008 CD2 LEU B 45 -6.043 -5.169 -4.619 1.00 0.00 C ATOM 0 H LEU B 45 -8.036 -2.092 -3.651 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.347 -4.169 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.545 -4.145 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -8.478 -5.600 -3.464 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.310 -3.478 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -5.026 -5.178 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -6.509 -4.711 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.442 -6.255 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.955 -5.133 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.370 -6.207 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -6.385 -4.632 -5.504 1.00 0.00 H new ATOM 2020 N ASN B 46 -11.062 -3.185 -3.995 1.00 0.00 N ATOM 2021 CA ASN B 46 -12.518 -3.289 -4.015 1.00 0.00 C ATOM 2022 C ASN B 46 -13.082 -2.579 -5.242 1.00 0.00 C ATOM 2023 O ASN B 46 -13.933 -3.111 -5.953 1.00 0.00 O ATOM 2024 CB ASN B 46 -13.137 -2.682 -2.745 1.00 0.00 C ATOM 2025 CG ASN B 46 -12.918 -3.518 -1.490 1.00 0.00 C ATOM 2026 OD1 ASN B 46 -13.748 -3.514 -0.581 1.00 0.00 O ATOM 2027 ND2 ASN B 46 -11.804 -4.227 -1.419 1.00 0.00 N ATOM 0 H ASN B 46 -10.702 -2.394 -3.461 1.00 0.00 H new ATOM 0 HA ASN B 46 -12.774 -4.348 -4.055 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -12.716 -1.689 -2.586 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -14.208 -2.553 -2.901 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -11.612 -4.793 -0.593 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -11.137 -4.208 -2.191 1.00 0.00 H new ATOM 2034 N GLN B 47 -12.586 -1.373 -5.487 1.00 0.00 N ATOM 2035 CA GLN B 47 -13.088 -0.534 -6.562 1.00 0.00 C ATOM 2036 C GLN B 47 -11.954 -0.124 -7.493 1.00 0.00 C ATOM 2037 O GLN B 47 -10.947 0.419 -7.036 1.00 0.00 O ATOM 2038 CB GLN B 47 -13.746 0.727 -5.992 1.00 0.00 C ATOM 2039 CG GLN B 47 -14.682 0.464 -4.825 1.00 0.00 C ATOM 2040 CD GLN B 47 -15.322 1.733 -4.301 1.00 0.00 C ATOM 2041 OE1 GLN B 47 -15.587 2.669 -5.058 1.00 0.00 O ATOM 2042 NE2 GLN B 47 -15.550 1.783 -2.999 1.00 0.00 N ATOM 0 H GLN B 47 -11.829 -0.953 -4.948 1.00 0.00 H new ATOM 0 HA GLN B 47 -13.826 -1.109 -7.121 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -12.966 1.417 -5.670 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -14.303 1.224 -6.786 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -15.462 -0.231 -5.137 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -14.128 -0.019 -4.020 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -15.315 0.985 -2.409 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -15.961 2.620 -2.585 1.00 0.00 H new ATOM 2051 N ARG B 48 -12.156 -0.384 -8.787 1.00 0.00 N ATOM 2052 CA ARG B 48 -11.241 0.000 -9.876 1.00 0.00 C ATOM 2053 C ARG B 48 -10.277 -1.123 -10.237 1.00 0.00 C ATOM 2054 O ARG B 48 -9.306 -0.902 -10.957 1.00 0.00 O ATOM 2055 CB ARG B 48 -10.474 1.293 -9.573 1.00 0.00 C ATOM 2056 CG ARG B 48 -11.369 2.515 -9.507 1.00 0.00 C ATOM 2057 CD ARG B 48 -10.628 3.732 -8.982 1.00 0.00 C ATOM 2058 NE ARG B 48 -10.311 3.607 -7.558 1.00 0.00 N ATOM 2059 CZ ARG B 48 -10.091 4.651 -6.752 1.00 0.00 C ATOM 2060 NH1 ARG B 48 -10.136 5.887 -7.232 1.00 0.00 N ATOM 2061 NH2 ARG B 48 -9.839 4.455 -5.464 1.00 0.00 N ATOM 0 H ARG B 48 -12.982 -0.881 -9.120 1.00 0.00 H new ATOM 0 HA ARG B 48 -11.875 0.191 -10.742 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -9.949 1.183 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -9.716 1.447 -10.341 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -11.763 2.730 -10.500 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -12.223 2.305 -8.864 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -9.707 3.868 -9.548 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -11.235 4.623 -9.142 1.00 0.00 H new ATOM 0 HE ARG B 48 -10.255 2.670 -7.158 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -10.339 6.044 -8.219 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -9.968 6.681 -6.614 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -9.813 3.507 -5.088 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -9.671 5.252 -4.850 1.00 0.00 H new ATOM 2075 N VAL B 49 -10.559 -2.331 -9.771 1.00 0.00 N ATOM 2076 CA VAL B 49 -9.749 -3.482 -10.140 1.00 0.00 C ATOM 2077 C VAL B 49 -10.637 -4.703 -10.372 1.00 0.00 C ATOM 2078 O VAL B 49 -11.738 -4.794 -9.822 1.00 0.00 O ATOM 2079 CB VAL B 49 -8.687 -3.797 -9.061 1.00 0.00 C ATOM 2080 CG1 VAL B 49 -9.256 -4.670 -7.953 1.00 0.00 C ATOM 2081 CG2 VAL B 49 -7.460 -4.446 -9.678 1.00 0.00 C ATOM 0 H VAL B 49 -11.335 -2.538 -9.143 1.00 0.00 H new ATOM 0 HA VAL B 49 -9.227 -3.237 -11.065 1.00 0.00 H new ATOM 0 HB VAL B 49 -8.386 -2.849 -8.615 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -8.481 -4.870 -7.213 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -10.089 -4.154 -7.475 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -9.606 -5.612 -8.375 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -6.729 -4.657 -8.898 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -7.748 -5.377 -10.167 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -7.022 -3.771 -10.413 1.00 0.00 H new ATOM 2091 N ALA B 50 -10.165 -5.628 -11.198 1.00 0.00 N ATOM 2092 CA ALA B 50 -10.888 -6.864 -11.455 1.00 0.00 C ATOM 2093 C ALA B 50 -10.731 -7.818 -10.280 1.00 0.00 C ATOM 2094 O ALA B 50 -9.698 -7.819 -9.618 1.00 0.00 O ATOM 2095 CB ALA B 50 -10.389 -7.514 -12.736 1.00 0.00 C ATOM 0 H ALA B 50 -9.282 -5.544 -11.702 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.946 -6.631 -11.576 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.940 -8.438 -12.914 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.542 -6.833 -13.573 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.327 -7.738 -12.640 1.00 0.00 H new ATOM 2101 N ALA B 51 -11.758 -8.618 -10.013 1.00 0.00 N ATOM 2102 CA ALA B 51 -11.693 -9.624 -8.958 1.00 0.00 C ATOM 2103 C ALA B 51 -10.553 -10.611 -9.206 1.00 0.00 C ATOM 2104 O ALA B 51 -9.892 -11.056 -8.269 1.00 0.00 O ATOM 2105 CB ALA B 51 -13.018 -10.361 -8.848 1.00 0.00 C ATOM 0 H ALA B 51 -12.647 -8.589 -10.513 1.00 0.00 H new ATOM 0 HA ALA B 51 -11.496 -9.113 -8.016 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -12.954 -11.108 -8.057 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -13.811 -9.651 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -13.240 -10.853 -9.795 1.00 0.00 H new ATOM 2111 N SER B 52 -10.332 -10.947 -10.470 1.00 0.00 N ATOM 2112 CA SER B 52 -9.219 -11.808 -10.851 1.00 0.00 C ATOM 2113 C SER B 52 -7.887 -11.088 -10.653 1.00 0.00 C ATOM 2114 O SER B 52 -6.922 -11.660 -10.143 1.00 0.00 O ATOM 2115 CB SER B 52 -9.374 -12.241 -12.309 1.00 0.00 C ATOM 2116 OG SER B 52 -9.626 -11.123 -13.146 1.00 0.00 O ATOM 0 H SER B 52 -10.910 -10.636 -11.251 1.00 0.00 H new ATOM 0 HA SER B 52 -9.227 -12.692 -10.213 1.00 0.00 H new ATOM 0 HB2 SER B 52 -8.469 -12.751 -12.639 1.00 0.00 H new ATOM 0 HB3 SER B 52 -10.192 -12.956 -12.395 1.00 0.00 H new ATOM 0 HG SER B 52 -9.720 -11.424 -14.074 1.00 0.00 H new ATOM 2122 N GLN B 53 -7.852 -9.823 -11.051 1.00 0.00 N ATOM 2123 CA GLN B 53 -6.656 -9.000 -10.920 1.00 0.00 C ATOM 2124 C GLN B 53 -6.341 -8.742 -9.452 1.00 0.00 C ATOM 2125 O GLN B 53 -5.195 -8.546 -9.084 1.00 0.00 O ATOM 2126 CB GLN B 53 -6.853 -7.658 -11.639 1.00 0.00 C ATOM 2127 CG GLN B 53 -5.601 -6.790 -11.698 1.00 0.00 C ATOM 2128 CD GLN B 53 -4.550 -7.283 -12.682 1.00 0.00 C ATOM 2129 OE1 GLN B 53 -3.780 -6.489 -13.226 1.00 0.00 O ATOM 2130 NE2 GLN B 53 -4.501 -8.585 -12.923 1.00 0.00 N ATOM 0 H GLN B 53 -8.646 -9.340 -11.471 1.00 0.00 H new ATOM 0 HA GLN B 53 -5.824 -9.537 -11.375 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -7.196 -7.850 -12.656 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.644 -7.102 -11.136 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -5.889 -5.774 -11.969 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -5.158 -6.742 -10.703 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -5.153 -9.215 -12.456 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.811 -8.957 -13.576 1.00 0.00 H new ATOM 2139 N ARG B 54 -7.380 -8.776 -8.636 1.00 0.00 N ATOM 2140 CA ARG B 54 -7.314 -8.403 -7.227 1.00 0.00 C ATOM 2141 C ARG B 54 -6.152 -9.074 -6.492 1.00 0.00 C ATOM 2142 O ARG B 54 -5.334 -8.398 -5.874 1.00 0.00 O ATOM 2143 CB ARG B 54 -8.644 -8.760 -6.570 1.00 0.00 C ATOM 2144 CG ARG B 54 -8.840 -8.188 -5.184 1.00 0.00 C ATOM 2145 CD ARG B 54 -10.293 -8.315 -4.759 1.00 0.00 C ATOM 2146 NE ARG B 54 -11.180 -7.603 -5.682 1.00 0.00 N ATOM 2147 CZ ARG B 54 -12.458 -7.907 -5.889 1.00 0.00 C ATOM 2148 NH1 ARG B 54 -13.028 -8.906 -5.234 1.00 0.00 N ATOM 2149 NH2 ARG B 54 -13.177 -7.196 -6.749 1.00 0.00 N ATOM 0 H ARG B 54 -8.310 -9.068 -8.935 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.132 -7.330 -7.164 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -9.455 -8.411 -7.210 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.726 -9.845 -6.515 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -8.200 -8.711 -4.474 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.541 -7.140 -5.171 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.573 -9.368 -4.721 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -10.416 -7.916 -3.752 1.00 0.00 H new ATOM 0 HE ARG B 54 -10.790 -6.818 -6.203 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -12.486 -9.451 -4.563 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -14.009 -9.131 -5.400 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -12.749 -6.417 -7.250 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.157 -7.428 -6.909 1.00 0.00 H new ATOM 2163 N LYS B 55 -6.073 -10.397 -6.573 1.00 0.00 N ATOM 2164 CA LYS B 55 -5.031 -11.135 -5.861 1.00 0.00 C ATOM 2165 C LYS B 55 -3.665 -10.859 -6.482 1.00 0.00 C ATOM 2166 O LYS B 55 -2.678 -10.666 -5.776 1.00 0.00 O ATOM 2167 CB LYS B 55 -5.319 -12.642 -5.885 1.00 0.00 C ATOM 2168 CG LYS B 55 -4.649 -13.420 -4.754 1.00 0.00 C ATOM 2169 CD LYS B 55 -3.636 -14.444 -5.259 1.00 0.00 C ATOM 2170 CE LYS B 55 -2.326 -13.796 -5.681 1.00 0.00 C ATOM 2171 NZ LYS B 55 -1.312 -14.799 -6.106 1.00 0.00 N ATOM 0 H LYS B 55 -6.710 -10.978 -7.118 1.00 0.00 H new ATOM 0 HA LYS B 55 -5.025 -10.797 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -6.397 -12.797 -5.830 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -4.987 -13.050 -6.840 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -4.148 -12.720 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -5.413 -13.930 -4.168 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -3.441 -15.177 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -4.060 -14.986 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -2.514 -13.102 -6.501 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -1.929 -13.210 -4.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -0.527 -14.316 -6.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -0.950 -15.302 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -1.750 -15.481 -6.757 1.00 0.00 H new ATOM 2185 N LEU B 56 -3.625 -10.822 -7.807 1.00 0.00 N ATOM 2186 CA LEU B 56 -2.374 -10.655 -8.535 1.00 0.00 C ATOM 2187 C LEU B 56 -1.776 -9.270 -8.317 1.00 0.00 C ATOM 2188 O LEU B 56 -0.587 -9.138 -8.045 1.00 0.00 O ATOM 2189 CB LEU B 56 -2.599 -10.899 -10.028 1.00 0.00 C ATOM 2190 CG LEU B 56 -2.952 -12.342 -10.403 1.00 0.00 C ATOM 2191 CD1 LEU B 56 -3.227 -12.452 -11.895 1.00 0.00 C ATOM 2192 CD2 LEU B 56 -1.824 -13.281 -9.997 1.00 0.00 C ATOM 0 H LEU B 56 -4.449 -10.906 -8.402 1.00 0.00 H new ATOM 0 HA LEU B 56 -1.665 -11.388 -8.150 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -3.400 -10.244 -10.371 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -1.697 -10.610 -10.568 1.00 0.00 H new ATOM 0 HG LEU B 56 -3.856 -12.631 -9.866 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -3.476 -13.484 -12.144 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -4.062 -11.803 -12.160 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -2.340 -12.148 -12.452 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -2.086 -14.304 -10.269 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -0.907 -12.993 -10.512 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -1.670 -13.220 -8.920 1.00 0.00 H new ATOM 2204 N ILE B 57 -2.608 -8.249 -8.415 1.00 0.00 N ATOM 2205 CA ILE B 57 -2.152 -6.873 -8.311 1.00 0.00 C ATOM 2206 C ILE B 57 -1.726 -6.551 -6.877 1.00 0.00 C ATOM 2207 O ILE B 57 -0.802 -5.766 -6.654 1.00 0.00 O ATOM 2208 CB ILE B 57 -3.241 -5.887 -8.803 1.00 0.00 C ATOM 2209 CG1 ILE B 57 -2.642 -4.508 -9.084 1.00 0.00 C ATOM 2210 CG2 ILE B 57 -4.378 -5.772 -7.797 1.00 0.00 C ATOM 2211 CD1 ILE B 57 -3.617 -3.553 -9.746 1.00 0.00 C ATOM 0 H ILE B 57 -3.612 -8.348 -8.568 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.282 -6.755 -8.957 1.00 0.00 H new ATOM 0 HB ILE B 57 -3.648 -6.286 -9.732 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -2.297 -4.072 -8.147 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -1.767 -4.623 -9.723 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -5.126 -5.073 -8.171 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -4.836 -6.750 -7.652 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -3.987 -5.410 -6.846 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -3.128 -2.594 -9.917 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -3.943 -3.969 -10.699 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -4.482 -3.409 -9.098 1.00 0.00 H new ATOM 2223 N ALA B 58 -2.382 -7.186 -5.905 1.00 0.00 N ATOM 2224 CA ALA B 58 -2.010 -7.028 -4.507 1.00 0.00 C ATOM 2225 C ALA B 58 -0.680 -7.717 -4.235 1.00 0.00 C ATOM 2226 O ALA B 58 0.144 -7.226 -3.462 1.00 0.00 O ATOM 2227 CB ALA B 58 -3.097 -7.583 -3.598 1.00 0.00 C ATOM 0 H ALA B 58 -3.171 -7.812 -6.064 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.899 -5.965 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.801 -7.456 -2.557 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -4.030 -7.048 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.240 -8.643 -3.807 1.00 0.00 H new ATOM 2233 N GLU B 59 -0.470 -8.851 -4.890 1.00 0.00 N ATOM 2234 CA GLU B 59 0.776 -9.587 -4.763 1.00 0.00 C ATOM 2235 C GLU B 59 1.897 -8.851 -5.492 1.00 0.00 C ATOM 2236 O GLU B 59 3.027 -8.788 -5.004 1.00 0.00 O ATOM 2237 CB GLU B 59 0.605 -11.005 -5.304 1.00 0.00 C ATOM 2238 CG GLU B 59 1.846 -11.871 -5.177 1.00 0.00 C ATOM 2239 CD GLU B 59 1.560 -13.330 -5.455 1.00 0.00 C ATOM 2240 OE1 GLU B 59 1.052 -13.644 -6.549 1.00 0.00 O ATOM 2241 OE2 GLU B 59 1.842 -14.171 -4.579 1.00 0.00 O ATOM 0 H GLU B 59 -1.151 -9.281 -5.516 1.00 0.00 H new ATOM 0 HA GLU B 59 1.046 -9.656 -3.709 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -0.217 -11.487 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU B 59 0.320 -10.950 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU B 59 2.608 -11.514 -5.870 1.00 0.00 H new ATOM 0 HG3 GLU B 59 2.256 -11.769 -4.172 1.00 0.00 H new ATOM 2248 N LYS B 60 1.574 -8.297 -6.660 1.00 0.00 N ATOM 2249 CA LYS B 60 2.500 -7.426 -7.382 1.00 0.00 C ATOM 2250 C LYS B 60 2.958 -6.290 -6.484 1.00 0.00 C ATOM 2251 O LYS B 60 4.148 -5.998 -6.396 1.00 0.00 O ATOM 2252 CB LYS B 60 1.847 -6.838 -8.638 1.00 0.00 C ATOM 2253 CG LYS B 60 1.781 -7.792 -9.821 1.00 0.00 C ATOM 2254 CD LYS B 60 1.179 -7.112 -11.042 1.00 0.00 C ATOM 2255 CE LYS B 60 1.921 -5.829 -11.387 1.00 0.00 C ATOM 2256 NZ LYS B 60 1.380 -5.171 -12.605 1.00 0.00 N ATOM 0 H LYS B 60 0.678 -8.436 -7.126 1.00 0.00 H new ATOM 0 HA LYS B 60 3.356 -8.031 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS B 60 0.835 -6.517 -8.390 1.00 0.00 H new ATOM 0 HB3 LYS B 60 2.400 -5.947 -8.936 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.782 -8.152 -10.058 1.00 0.00 H new ATOM 0 HG3 LYS B 60 1.184 -8.664 -9.556 1.00 0.00 H new ATOM 0 HD2 LYS B 60 1.212 -7.793 -11.893 1.00 0.00 H new ATOM 0 HD3 LYS B 60 0.129 -6.887 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS B 60 1.858 -5.139 -10.546 1.00 0.00 H new ATOM 0 HE3 LYS B 60 2.977 -6.053 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 1.918 -4.302 -12.798 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 1.464 -5.818 -13.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 0.379 -4.932 -12.455 1.00 0.00 H new ATOM 2270 N PHE B 61 1.993 -5.661 -5.824 1.00 0.00 N ATOM 2271 CA PHE B 61 2.260 -4.574 -4.893 1.00 0.00 C ATOM 2272 C PHE B 61 3.258 -5.012 -3.829 1.00 0.00 C ATOM 2273 O PHE B 61 4.296 -4.381 -3.636 1.00 0.00 O ATOM 2274 CB PHE B 61 0.947 -4.134 -4.234 1.00 0.00 C ATOM 2275 CG PHE B 61 1.084 -2.980 -3.282 1.00 0.00 C ATOM 2276 CD1 PHE B 61 1.425 -3.191 -1.955 1.00 0.00 C ATOM 2277 CD2 PHE B 61 0.866 -1.683 -3.715 1.00 0.00 C ATOM 2278 CE1 PHE B 61 1.545 -2.131 -1.081 1.00 0.00 C ATOM 2279 CE2 PHE B 61 0.983 -0.620 -2.843 1.00 0.00 C ATOM 2280 CZ PHE B 61 1.325 -0.844 -1.525 1.00 0.00 C ATOM 0 H PHE B 61 1.004 -5.891 -5.920 1.00 0.00 H new ATOM 0 HA PHE B 61 2.691 -3.736 -5.441 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.237 -3.862 -5.015 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.522 -4.983 -3.698 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.599 -4.197 -1.602 1.00 0.00 H new ATOM 0 HD2 PHE B 61 0.602 -1.501 -4.746 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.811 -2.309 -0.049 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.807 0.387 -3.192 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.420 -0.013 -0.842 1.00 0.00 H new ATOM 2290 N ALA B 62 2.937 -6.111 -3.158 1.00 0.00 N ATOM 2291 CA ALA B 62 3.766 -6.619 -2.076 1.00 0.00 C ATOM 2292 C ALA B 62 5.155 -7.002 -2.572 1.00 0.00 C ATOM 2293 O ALA B 62 6.159 -6.637 -1.962 1.00 0.00 O ATOM 2294 CB ALA B 62 3.090 -7.809 -1.410 1.00 0.00 C ATOM 0 H ALA B 62 2.104 -6.669 -3.346 1.00 0.00 H new ATOM 0 HA ALA B 62 3.885 -5.823 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.720 -8.180 -0.602 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.126 -7.500 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA B 62 2.939 -8.600 -2.145 1.00 0.00 H new ATOM 2300 N GLN B 63 5.216 -7.720 -3.687 1.00 0.00 N ATOM 2301 CA GLN B 63 6.491 -8.175 -4.227 1.00 0.00 C ATOM 2302 C GLN B 63 7.354 -6.991 -4.630 1.00 0.00 C ATOM 2303 O GLN B 63 8.538 -6.941 -4.298 1.00 0.00 O ATOM 2304 CB GLN B 63 6.278 -9.084 -5.435 1.00 0.00 C ATOM 2305 CG GLN B 63 7.495 -9.929 -5.778 1.00 0.00 C ATOM 2306 CD GLN B 63 7.934 -10.812 -4.622 1.00 0.00 C ATOM 2307 OE1 GLN B 63 7.115 -11.253 -3.814 1.00 0.00 O ATOM 2308 NE2 GLN B 63 9.227 -11.068 -4.531 1.00 0.00 N ATOM 0 H GLN B 63 4.401 -7.999 -4.233 1.00 0.00 H new ATOM 0 HA GLN B 63 6.999 -8.740 -3.446 1.00 0.00 H new ATOM 0 HB2 GLN B 63 5.431 -9.742 -5.240 1.00 0.00 H new ATOM 0 HB3 GLN B 63 6.014 -8.473 -6.298 1.00 0.00 H new ATOM 0 HG2 GLN B 63 7.268 -10.553 -6.642 1.00 0.00 H new ATOM 0 HG3 GLN B 63 8.319 -9.275 -6.065 1.00 0.00 H new ATOM 0 HE21 GLN B 63 9.873 -10.684 -5.221 1.00 0.00 H new ATOM 0 HE22 GLN B 63 9.579 -11.650 -3.771 1.00 0.00 H new ATOM 2317 N ALA B 64 6.754 -6.037 -5.336 1.00 0.00 N ATOM 2318 CA ALA B 64 7.470 -4.852 -5.790 1.00 0.00 C ATOM 2319 C ALA B 64 7.985 -4.057 -4.601 1.00 0.00 C ATOM 2320 O ALA B 64 9.100 -3.542 -4.628 1.00 0.00 O ATOM 2321 CB ALA B 64 6.579 -3.982 -6.665 1.00 0.00 C ATOM 0 H ALA B 64 5.771 -6.063 -5.606 1.00 0.00 H new ATOM 0 HA ALA B 64 8.321 -5.176 -6.388 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.136 -3.104 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA B 64 6.257 -4.552 -7.536 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.705 -3.666 -6.095 1.00 0.00 H new ATOM 2327 N LEU B 65 7.171 -3.989 -3.552 1.00 0.00 N ATOM 2328 CA LEU B 65 7.539 -3.291 -2.327 1.00 0.00 C ATOM 2329 C LEU B 65 8.778 -3.922 -1.692 1.00 0.00 C ATOM 2330 O LEU B 65 9.683 -3.227 -1.230 1.00 0.00 O ATOM 2331 CB LEU B 65 6.369 -3.318 -1.340 1.00 0.00 C ATOM 2332 CG LEU B 65 6.605 -2.568 -0.032 1.00 0.00 C ATOM 2333 CD1 LEU B 65 6.866 -1.100 -0.309 1.00 0.00 C ATOM 2334 CD2 LEU B 65 5.414 -2.730 0.901 1.00 0.00 C ATOM 0 H LEU B 65 6.244 -4.414 -3.528 1.00 0.00 H new ATOM 0 HA LEU B 65 7.774 -2.256 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.492 -2.895 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.135 -4.357 -1.107 1.00 0.00 H new ATOM 0 HG LEU B 65 7.482 -2.992 0.457 1.00 0.00 H new ATOM 0 HD11 LEU B 65 7.033 -0.576 0.632 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.748 -1.000 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU B 65 6.005 -0.667 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.602 -2.188 1.828 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.520 -2.331 0.422 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.266 -3.787 1.122 1.00 0.00 H new ATOM 2346 N MET B 66 8.815 -5.246 -1.683 1.00 0.00 N ATOM 2347 CA MET B 66 9.942 -5.968 -1.110 1.00 0.00 C ATOM 2348 C MET B 66 11.129 -5.936 -2.061 1.00 0.00 C ATOM 2349 O MET B 66 12.270 -6.133 -1.656 1.00 0.00 O ATOM 2350 CB MET B 66 9.557 -7.415 -0.798 1.00 0.00 C ATOM 2351 CG MET B 66 8.308 -7.529 0.056 1.00 0.00 C ATOM 2352 SD MET B 66 8.412 -6.567 1.576 1.00 0.00 S ATOM 2353 CE MET B 66 6.682 -6.492 2.030 1.00 0.00 C ATOM 0 H MET B 66 8.080 -5.841 -2.065 1.00 0.00 H new ATOM 0 HA MET B 66 10.223 -5.477 -0.178 1.00 0.00 H new ATOM 0 HB2 MET B 66 9.400 -7.952 -1.733 1.00 0.00 H new ATOM 0 HB3 MET B 66 10.386 -7.903 -0.285 1.00 0.00 H new ATOM 0 HG2 MET B 66 7.446 -7.195 -0.522 1.00 0.00 H new ATOM 0 HG3 MET B 66 8.138 -8.576 0.305 1.00 0.00 H new ATOM 0 HE1 MET B 66 6.388 -5.452 2.174 1.00 0.00 H new ATOM 0 HE2 MET B 66 6.078 -6.933 1.237 1.00 0.00 H new ATOM 0 HE3 MET B 66 6.525 -7.045 2.956 1.00 0.00 H new ATOM 2363 N SER B 67 10.850 -5.670 -3.327 1.00 0.00 N ATOM 2364 CA SER B 67 11.886 -5.593 -4.341 1.00 0.00 C ATOM 2365 C SER B 67 12.544 -4.210 -4.335 1.00 0.00 C ATOM 2366 O SER B 67 13.687 -4.052 -4.768 1.00 0.00 O ATOM 2367 CB SER B 67 11.290 -5.916 -5.715 1.00 0.00 C ATOM 2368 OG SER B 67 10.753 -7.226 -5.728 1.00 0.00 O ATOM 0 H SER B 67 9.907 -5.503 -3.677 1.00 0.00 H new ATOM 0 HA SER B 67 12.660 -6.328 -4.118 1.00 0.00 H new ATOM 0 HB2 SER B 67 10.510 -5.195 -5.958 1.00 0.00 H new ATOM 0 HB3 SER B 67 12.059 -5.824 -6.482 1.00 0.00 H new ATOM 0 HG SER B 67 9.999 -7.277 -5.104 1.00 0.00 H new ATOM 2374 N SER B 68 11.819 -3.214 -3.838 1.00 0.00 N ATOM 2375 CA SER B 68 12.364 -1.873 -3.690 1.00 0.00 C ATOM 2376 C SER B 68 12.918 -1.682 -2.280 1.00 0.00 C ATOM 2377 O SER B 68 13.489 -0.639 -1.953 1.00 0.00 O ATOM 2378 CB SER B 68 11.283 -0.834 -3.990 1.00 0.00 C ATOM 2379 OG SER B 68 10.087 -1.132 -3.292 1.00 0.00 O ATOM 0 H SER B 68 10.851 -3.312 -3.531 1.00 0.00 H new ATOM 0 HA SER B 68 13.180 -1.740 -4.400 1.00 0.00 H new ATOM 0 HB2 SER B 68 11.637 0.157 -3.706 1.00 0.00 H new ATOM 0 HB3 SER B 68 11.086 -0.807 -5.062 1.00 0.00 H new ATOM 0 HG SER B 68 9.639 -0.298 -3.040 1.00 0.00 H new ATOM 2385 N LEU B 69 12.738 -2.701 -1.450 1.00 0.00 N ATOM 2386 CA LEU B 69 13.228 -2.679 -0.079 1.00 0.00 C ATOM 2387 C LEU B 69 14.738 -2.887 -0.038 1.00 0.00 C ATOM 2388 O LEU B 69 15.236 -3.969 -0.365 1.00 0.00 O ATOM 2389 CB LEU B 69 12.542 -3.768 0.751 1.00 0.00 C ATOM 2390 CG LEU B 69 13.036 -3.894 2.194 1.00 0.00 C ATOM 2391 CD1 LEU B 69 12.638 -2.674 3.006 1.00 0.00 C ATOM 2392 CD2 LEU B 69 12.497 -5.165 2.827 1.00 0.00 C ATOM 0 H LEU B 69 12.252 -3.560 -1.706 1.00 0.00 H new ATOM 0 HA LEU B 69 12.995 -1.702 0.343 1.00 0.00 H new ATOM 0 HB2 LEU B 69 11.470 -3.570 0.767 1.00 0.00 H new ATOM 0 HB3 LEU B 69 12.682 -4.726 0.251 1.00 0.00 H new ATOM 0 HG LEU B 69 14.124 -3.951 2.184 1.00 0.00 H new ATOM 0 HD11 LEU B 69 12.999 -2.784 4.029 1.00 0.00 H new ATOM 0 HD12 LEU B 69 13.077 -1.781 2.560 1.00 0.00 H new ATOM 0 HD13 LEU B 69 11.552 -2.580 3.013 1.00 0.00 H new ATOM 0 HD21 LEU B 69 12.857 -5.241 3.853 1.00 0.00 H new ATOM 0 HD22 LEU B 69 11.407 -5.138 2.825 1.00 0.00 H new ATOM 0 HD23 LEU B 69 12.840 -6.029 2.257 1.00 0.00 H new