USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 844 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 46 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 55 GLN : amide:sc= -0.0575 K(o=-0.051,f=-0.58) USER MOD Set 1.3: A 96 TYR OH : rot -105:sc= 0.00633 USER MOD Set 2.1: A 87 MET CE :methyl -176:sc= -0.0843 (180deg=0) USER MOD Set 2.2: A 113 CYS SG : rot -43:sc= -1.54 USER MOD Set 3.1: A 50 ASN : amide:sc= -2.8! C(o=-1.8!,f=-3.7!) USER MOD Set 3.2: A 52 THR OG1 : rot 35:sc= 0.95 USER MOD Set 4.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 16 ASN : amide:sc= -6.29! C(o=-4.9!,f=-11!) USER MOD Set 5.2: A 93 LYS NZ :NH3+ -136:sc= 1.37 (180deg=0.119) USER MOD Set 5.3: A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 31:sc= -0.32 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= -0.179 (180deg=-0.301) USER MOD Single : A 38 GLN : amide:sc= -6.13! C(o=-6.1!,f=-8!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.782 F(o=-1.9,f=-0.78) USER MOD Single : A 45 GLN : amide:sc= -1.03 X(o=-1,f=-0.68) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -40:sc= 0.742 USER MOD Single : A 80 MET CE :methyl -159:sc= -1.82 (180deg=-2.5) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 100:sc= -0.612 USER MOD Single : A 95 CYS SG : rot 180:sc= -1.76 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -0.502 F(o=-1.6,f=-0.5) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.627 USER MOD Single : A 119 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.643) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.418 -11.538 3.557 1.00 0.00 N ATOM 121 CA LEU A 11 -7.412 -11.546 2.489 1.00 0.00 C ATOM 122 C LEU A 11 -6.743 -11.641 1.122 1.00 0.00 C ATOM 123 O LEU A 11 -5.817 -10.888 0.820 1.00 0.00 O ATOM 124 CB LEU A 11 -8.276 -10.285 2.560 1.00 0.00 C ATOM 125 CG LEU A 11 -8.953 -9.861 1.256 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.207 -9.051 1.545 1.00 0.00 C ATOM 127 CD2 LEU A 11 -7.988 -9.064 0.390 1.00 0.00 C ATOM 0 HA LEU A 11 -8.046 -12.422 2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.048 -10.440 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.653 -9.461 2.907 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.243 -10.759 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.675 -8.758 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.905 -9.655 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.941 -8.159 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.486 -8.770 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.667 -8.172 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.119 -9.678 0.154 1.00 0.00 H new ATOM 139 N ASP A 12 -7.218 -12.569 0.299 1.00 0.00 N ATOM 140 CA ASP A 12 -6.668 -12.760 -1.038 1.00 0.00 C ATOM 141 C ASP A 12 -7.279 -11.770 -2.024 1.00 0.00 C ATOM 142 O ASP A 12 -8.410 -11.949 -2.477 1.00 0.00 O ATOM 143 CB ASP A 12 -6.915 -14.192 -1.514 1.00 0.00 C ATOM 144 CG ASP A 12 -6.119 -15.212 -0.723 1.00 0.00 C ATOM 145 OD1 ASP A 12 -4.988 -14.886 -0.304 1.00 0.00 O ATOM 146 OD2 ASP A 12 -6.627 -16.334 -0.522 1.00 0.00 O ATOM 0 H ASP A 12 -7.983 -13.201 0.534 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.594 -12.581 -0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.977 -14.421 -1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.654 -14.271 -2.569 1.00 0.00 H new ATOM 151 N ILE A 13 -6.525 -10.726 -2.351 1.00 0.00 N ATOM 152 CA ILE A 13 -6.993 -9.708 -3.283 1.00 0.00 C ATOM 153 C ILE A 13 -7.134 -10.275 -4.691 1.00 0.00 C ATOM 154 O ILE A 13 -8.144 -10.058 -5.361 1.00 0.00 O ATOM 155 CB ILE A 13 -6.039 -8.499 -3.322 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.017 -7.795 -1.964 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.455 -7.532 -4.420 1.00 0.00 C ATOM 158 CD1 ILE A 13 -4.850 -6.848 -1.793 1.00 0.00 C ATOM 0 H ILE A 13 -5.587 -10.563 -1.984 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.969 -9.379 -2.927 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.033 -8.856 -3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.946 -7.240 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.983 -8.546 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.772 -6.683 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.424 -8.040 -5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.468 -7.179 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.899 -6.385 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.916 -7.401 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.894 -6.075 -2.560 1.00 0.00 H new ATOM 170 N LEU A 14 -6.116 -11.005 -5.134 1.00 0.00 N ATOM 171 CA LEU A 14 -6.127 -11.607 -6.463 1.00 0.00 C ATOM 172 C LEU A 14 -6.686 -13.025 -6.414 1.00 0.00 C ATOM 173 O LEU A 14 -7.282 -13.503 -7.378 1.00 0.00 O ATOM 174 CB LEU A 14 -4.714 -11.623 -7.048 1.00 0.00 C ATOM 175 CG LEU A 14 -4.039 -10.261 -7.209 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.527 -10.417 -7.267 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.552 -9.555 -8.457 1.00 0.00 C ATOM 0 H LEU A 14 -5.273 -11.194 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.772 -11.005 -7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.085 -12.245 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.752 -12.105 -8.025 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.288 -9.650 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.064 -9.437 -7.382 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.173 -10.880 -6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.258 -11.047 -8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.061 -8.587 -8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.334 -10.164 -9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.629 -9.408 -8.375 1.00 0.00 H new ATOM 189 N GLY A 15 -6.490 -13.694 -5.281 1.00 0.00 N ATOM 190 CA GLY A 15 -6.982 -15.051 -5.127 1.00 0.00 C ATOM 191 C GLY A 15 -5.865 -16.076 -5.120 1.00 0.00 C ATOM 192 O GLY A 15 -5.968 -17.111 -4.465 1.00 0.00 O ATOM 0 H GLY A 15 -6.000 -13.321 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.546 -15.126 -4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.674 -15.278 -5.938 1.00 0.00 H new ATOM 196 N ASN A 16 -4.795 -15.787 -5.854 1.00 0.00 N ATOM 197 CA ASN A 16 -3.655 -16.693 -5.932 1.00 0.00 C ATOM 198 C ASN A 16 -3.013 -16.878 -4.561 1.00 0.00 C ATOM 199 O ASN A 16 -2.783 -18.003 -4.118 1.00 0.00 O ATOM 200 CB ASN A 16 -2.620 -16.159 -6.925 1.00 0.00 C ATOM 201 CG ASN A 16 -2.643 -14.646 -7.026 1.00 0.00 C ATOM 202 OD1 ASN A 16 -3.613 -14.060 -7.508 1.00 0.00 O ATOM 203 ND2 ASN A 16 -1.572 -14.006 -6.571 1.00 0.00 N ATOM 0 H ASN A 16 -4.694 -14.933 -6.403 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.015 -17.662 -6.278 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.626 -16.485 -6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.809 -16.589 -7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.530 -12.988 -6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.791 -14.533 -6.180 1.00 0.00 H new ATOM 210 N GLY A 17 -2.725 -15.765 -3.892 1.00 0.00 N ATOM 211 CA GLY A 17 -2.113 -15.827 -2.578 1.00 0.00 C ATOM 212 C GLY A 17 -0.946 -14.870 -2.437 1.00 0.00 C ATOM 213 O GLY A 17 -0.557 -14.512 -1.324 1.00 0.00 O ATOM 0 H GLY A 17 -2.905 -14.822 -4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.862 -15.596 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.770 -16.844 -2.388 1.00 0.00 H new ATOM 217 N LEU A 18 -0.383 -14.455 -3.567 1.00 0.00 N ATOM 218 CA LEU A 18 0.748 -13.534 -3.565 1.00 0.00 C ATOM 219 C LEU A 18 0.378 -12.217 -2.891 1.00 0.00 C ATOM 220 O LEU A 18 0.837 -11.921 -1.787 1.00 0.00 O ATOM 221 CB LEU A 18 1.220 -13.272 -4.996 1.00 0.00 C ATOM 222 CG LEU A 18 2.126 -14.340 -5.610 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.441 -14.426 -4.851 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.426 -15.691 -5.621 1.00 0.00 C ATOM 0 H LEU A 18 -0.691 -14.742 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 18 1.558 -13.995 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.342 -13.159 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.751 -12.320 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 18 2.343 -14.056 -6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.072 -15.191 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.950 -13.463 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.244 -14.685 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.085 -16.439 -6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.179 -15.981 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.511 -15.622 -6.210 1.00 0.00 H new ATOM 236 N LEU A 19 -0.458 -11.430 -3.560 1.00 0.00 N ATOM 237 CA LEU A 19 -0.893 -10.145 -3.025 1.00 0.00 C ATOM 238 C LEU A 19 -1.988 -10.333 -1.980 1.00 0.00 C ATOM 239 O LEU A 19 -3.097 -10.762 -2.298 1.00 0.00 O ATOM 240 CB LEU A 19 -1.399 -9.245 -4.154 1.00 0.00 C ATOM 241 CG LEU A 19 -2.066 -7.939 -3.723 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.023 -6.935 -3.257 1.00 0.00 C ATOM 243 CD2 LEU A 19 -2.893 -7.361 -4.862 1.00 0.00 C ATOM 0 H LEU A 19 -0.848 -11.660 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.037 -9.670 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.558 -9.003 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.111 -9.813 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.733 -8.153 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.517 -6.012 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.474 -7.347 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.330 -6.726 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.360 -6.432 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.246 -7.163 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.665 -8.074 -5.149 1.00 0.00 H new ATOM 255 N ARG A 20 -1.669 -10.007 -0.731 1.00 0.00 N ATOM 256 CA ARG A 20 -2.626 -10.139 0.361 1.00 0.00 C ATOM 257 C ARG A 20 -2.875 -8.791 1.031 1.00 0.00 C ATOM 258 O ARG A 20 -2.176 -7.814 0.764 1.00 0.00 O ATOM 259 CB ARG A 20 -2.118 -11.148 1.393 1.00 0.00 C ATOM 260 CG ARG A 20 -2.379 -12.595 1.009 1.00 0.00 C ATOM 261 CD ARG A 20 -1.438 -13.543 1.737 1.00 0.00 C ATOM 262 NE ARG A 20 -2.018 -14.873 1.899 1.00 0.00 N ATOM 263 CZ ARG A 20 -1.508 -15.805 2.696 1.00 0.00 C ATOM 264 NH1 ARG A 20 -0.413 -15.553 3.401 1.00 0.00 N ATOM 265 NH2 ARG A 20 -2.093 -16.992 2.790 1.00 0.00 N ATOM 0 H ARG A 20 -0.756 -9.650 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.567 -10.498 -0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.046 -11.005 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.593 -10.944 2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.411 -12.854 1.243 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.257 -12.715 -0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.502 -13.621 1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.196 -13.132 2.717 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.861 -15.099 1.371 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.040 -14.642 3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.024 -16.271 4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.935 -17.190 2.250 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.700 -17.707 3.402 1.00 0.00 H new ATOM 279 N LYS A 21 -3.877 -8.746 1.903 1.00 0.00 N ATOM 280 CA LYS A 21 -4.219 -7.520 2.613 1.00 0.00 C ATOM 281 C LYS A 21 -4.604 -7.817 4.059 1.00 0.00 C ATOM 282 O LYS A 21 -5.264 -8.817 4.343 1.00 0.00 O ATOM 283 CB LYS A 21 -5.370 -6.801 1.905 1.00 0.00 C ATOM 284 CG LYS A 21 -5.465 -5.323 2.245 1.00 0.00 C ATOM 285 CD LYS A 21 -6.632 -4.661 1.532 1.00 0.00 C ATOM 286 CE LYS A 21 -7.958 -5.018 2.185 1.00 0.00 C ATOM 287 NZ LYS A 21 -8.288 -4.099 3.309 1.00 0.00 N ATOM 0 H LYS A 21 -4.467 -9.545 2.135 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.341 -6.874 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.247 -6.910 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.309 -7.287 2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.580 -5.203 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.537 -4.824 1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.500 -3.579 1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.645 -4.971 0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.752 -4.979 1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.917 -6.043 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.199 -4.376 3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.543 -4.154 4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.353 -3.124 2.953 1.00 0.00 H new ATOM 301 N LYS A 22 -4.189 -6.942 4.969 1.00 0.00 N ATOM 302 CA LYS A 22 -4.493 -7.109 6.385 1.00 0.00 C ATOM 303 C LYS A 22 -4.880 -5.777 7.019 1.00 0.00 C ATOM 304 O LYS A 22 -4.028 -4.921 7.262 1.00 0.00 O ATOM 305 CB LYS A 22 -3.289 -7.704 7.119 1.00 0.00 C ATOM 306 CG LYS A 22 -3.457 -7.747 8.628 1.00 0.00 C ATOM 307 CD LYS A 22 -2.262 -8.398 9.304 1.00 0.00 C ATOM 308 CE LYS A 22 -1.100 -7.426 9.439 1.00 0.00 C ATOM 309 NZ LYS A 22 0.179 -8.128 9.739 1.00 0.00 N ATOM 0 H LYS A 22 -3.641 -6.110 4.751 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.338 -7.792 6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.114 -8.715 6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.401 -7.119 6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.585 -6.734 9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.363 -8.299 8.879 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.553 -8.758 10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.945 -9.267 8.728 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.994 -6.857 8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.316 -6.710 10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.946 -7.431 9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.087 -8.651 10.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.399 -8.793 8.970 1.00 0.00 H new ATOM 323 N THR A 23 -6.171 -5.607 7.286 1.00 0.00 N ATOM 324 CA THR A 23 -6.671 -4.379 7.892 1.00 0.00 C ATOM 325 C THR A 23 -6.136 -4.208 9.309 1.00 0.00 C ATOM 326 O THR A 23 -6.573 -4.892 10.236 1.00 0.00 O ATOM 327 CB THR A 23 -8.210 -4.358 7.931 1.00 0.00 C ATOM 328 OG1 THR A 23 -8.734 -4.364 6.598 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.716 -3.131 8.675 1.00 0.00 C ATOM 0 H THR A 23 -6.890 -6.304 7.092 1.00 0.00 H new ATOM 0 HA THR A 23 -6.319 -3.555 7.272 1.00 0.00 H new ATOM 0 HB THR A 23 -8.550 -5.249 8.459 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.713 -4.352 6.631 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.806 -3.138 8.689 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.339 -3.145 9.698 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.366 -2.230 8.171 1.00 0.00 H new ATOM 337 N LEU A 24 -5.188 -3.291 9.472 1.00 0.00 N ATOM 338 CA LEU A 24 -4.593 -3.029 10.778 1.00 0.00 C ATOM 339 C LEU A 24 -5.536 -2.206 11.651 1.00 0.00 C ATOM 340 O LEU A 24 -5.709 -2.491 12.836 1.00 0.00 O ATOM 341 CB LEU A 24 -3.261 -2.296 10.616 1.00 0.00 C ATOM 342 CG LEU A 24 -2.220 -2.984 9.732 1.00 0.00 C ATOM 343 CD1 LEU A 24 -0.987 -2.107 9.577 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.842 -4.340 10.309 1.00 0.00 C ATOM 0 H LEU A 24 -4.815 -2.717 8.716 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.417 -3.987 11.268 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.461 -1.307 10.204 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.828 -2.148 11.605 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.656 -3.140 8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.258 -2.613 8.945 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.270 -1.160 9.118 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.549 -1.919 10.557 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.100 -4.815 9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.426 -4.207 11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.729 -4.971 10.367 1.00 0.00 H new ATOM 356 N VAL A 25 -6.145 -1.186 11.056 1.00 0.00 N ATOM 357 CA VAL A 25 -7.073 -0.323 11.777 1.00 0.00 C ATOM 358 C VAL A 25 -8.220 0.125 10.878 1.00 0.00 C ATOM 359 O VAL A 25 -8.029 0.856 9.906 1.00 0.00 O ATOM 360 CB VAL A 25 -6.361 0.921 12.341 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.348 1.814 13.076 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.217 0.510 13.256 1.00 0.00 C ATOM 0 H VAL A 25 -6.012 -0.937 10.076 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.472 -0.910 12.604 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.945 1.489 11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.827 2.688 13.467 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.130 2.136 12.388 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.796 1.259 13.900 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.725 1.401 13.646 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.608 -0.080 14.085 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.498 -0.085 12.694 1.00 0.00 H new ATOM 372 N PRO A 26 -9.440 -0.322 11.208 1.00 0.00 N ATOM 373 CA PRO A 26 -10.643 0.021 10.443 1.00 0.00 C ATOM 374 C PRO A 26 -11.030 1.487 10.600 1.00 0.00 C ATOM 375 O PRO A 26 -10.672 2.133 11.584 1.00 0.00 O ATOM 376 CB PRO A 26 -11.719 -0.884 11.048 1.00 0.00 C ATOM 377 CG PRO A 26 -11.242 -1.167 12.431 1.00 0.00 C ATOM 378 CD PRO A 26 -9.741 -1.197 12.354 1.00 0.00 C ATOM 0 HA PRO A 26 -10.500 -0.122 9.372 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.691 -0.391 11.058 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.833 -1.803 10.473 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.582 -0.399 13.126 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.633 -2.118 12.792 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.284 -0.828 13.272 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.367 -2.209 12.196 1.00 0.00 H new ATOM 386 N GLY A 27 -11.766 2.008 9.622 1.00 0.00 N ATOM 387 CA GLY A 27 -12.191 3.395 9.671 1.00 0.00 C ATOM 388 C GLY A 27 -13.588 3.554 10.236 1.00 0.00 C ATOM 389 O GLY A 27 -14.255 2.579 10.583 1.00 0.00 O ATOM 0 H GLY A 27 -12.075 1.494 8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.489 3.965 10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.158 3.817 8.667 1.00 0.00 H new ATOM 393 N PRO A 28 -14.051 4.809 10.337 1.00 0.00 N ATOM 394 CA PRO A 28 -15.382 5.122 10.864 1.00 0.00 C ATOM 395 C PRO A 28 -16.497 4.682 9.921 1.00 0.00 C ATOM 396 O PRO A 28 -16.265 4.348 8.760 1.00 0.00 O ATOM 397 CB PRO A 28 -15.363 6.647 10.994 1.00 0.00 C ATOM 398 CG PRO A 28 -14.355 7.100 9.995 1.00 0.00 C ATOM 399 CD PRO A 28 -13.310 6.019 9.942 1.00 0.00 C ATOM 0 HA PRO A 28 -15.581 4.603 11.802 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.344 7.074 10.788 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.087 6.955 12.002 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.814 7.248 9.017 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.916 8.053 10.288 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.883 5.921 8.944 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.484 6.225 10.623 1.00 0.00 H new ATOM 407 N PRO A 29 -17.738 4.682 10.431 1.00 0.00 N ATOM 408 CA PRO A 29 -18.914 4.286 9.650 1.00 0.00 C ATOM 409 C PRO A 29 -19.256 5.298 8.563 1.00 0.00 C ATOM 410 O PRO A 29 -19.968 4.984 7.610 1.00 0.00 O ATOM 411 CB PRO A 29 -20.031 4.227 10.696 1.00 0.00 C ATOM 412 CG PRO A 29 -19.589 5.157 11.774 1.00 0.00 C ATOM 413 CD PRO A 29 -18.089 5.068 11.808 1.00 0.00 C ATOM 0 HA PRO A 29 -18.755 3.346 9.122 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -20.987 4.537 10.273 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.164 3.214 11.077 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -19.915 6.176 11.568 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.019 4.873 12.735 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -17.636 6.020 12.086 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -17.747 4.329 12.532 1.00 0.00 H new ATOM 421 N GLY A 30 -18.742 6.516 8.711 1.00 0.00 N ATOM 422 CA GLY A 30 -19.004 7.556 7.733 1.00 0.00 C ATOM 423 C GLY A 30 -18.102 7.450 6.520 1.00 0.00 C ATOM 424 O GLY A 30 -18.514 7.763 5.402 1.00 0.00 O ATOM 0 H GLY A 30 -18.149 6.801 9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.045 7.497 7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.868 8.532 8.199 1.00 0.00 H new ATOM 428 N SER A 31 -16.867 7.011 6.738 1.00 0.00 N ATOM 429 CA SER A 31 -15.902 6.871 5.654 1.00 0.00 C ATOM 430 C SER A 31 -16.397 5.872 4.612 1.00 0.00 C ATOM 431 O SER A 31 -17.404 5.194 4.815 1.00 0.00 O ATOM 432 CB SER A 31 -14.547 6.422 6.203 1.00 0.00 C ATOM 433 OG SER A 31 -14.706 5.619 7.361 1.00 0.00 O ATOM 0 H SER A 31 -16.511 6.746 7.656 1.00 0.00 H new ATOM 0 HA SER A 31 -15.788 7.843 5.175 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.009 5.861 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.941 7.296 6.443 1.00 0.00 H new ATOM 0 HG SER A 31 -15.550 5.125 7.303 1.00 0.00 H new ATOM 439 N SER A 32 -15.682 5.788 3.495 1.00 0.00 N ATOM 440 CA SER A 32 -16.049 4.876 2.418 1.00 0.00 C ATOM 441 C SER A 32 -14.919 4.752 1.401 1.00 0.00 C ATOM 442 O SER A 32 -13.988 5.558 1.390 1.00 0.00 O ATOM 443 CB SER A 32 -17.324 5.359 1.725 1.00 0.00 C ATOM 444 OG SER A 32 -18.015 4.281 1.117 1.00 0.00 O ATOM 0 H SER A 32 -14.845 6.341 3.312 1.00 0.00 H new ATOM 0 HA SER A 32 -16.231 3.893 2.854 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.973 5.848 2.451 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.071 6.104 0.971 1.00 0.00 H new ATOM 0 HG SER A 32 -18.827 4.616 0.683 1.00 0.00 H new ATOM 450 N ARG A 33 -15.007 3.737 0.548 1.00 0.00 N ATOM 451 CA ARG A 33 -13.992 3.506 -0.472 1.00 0.00 C ATOM 452 C ARG A 33 -13.983 4.637 -1.496 1.00 0.00 C ATOM 453 O ARG A 33 -15.028 5.117 -1.937 1.00 0.00 O ATOM 454 CB ARG A 33 -14.240 2.170 -1.175 1.00 0.00 C ATOM 455 CG ARG A 33 -14.332 0.989 -0.223 1.00 0.00 C ATOM 456 CD ARG A 33 -12.960 0.405 0.075 1.00 0.00 C ATOM 457 NE ARG A 33 -12.970 -0.436 1.269 1.00 0.00 N ATOM 458 CZ ARG A 33 -13.528 -1.641 1.315 1.00 0.00 C ATOM 459 NH1 ARG A 33 -14.117 -2.144 0.239 1.00 0.00 N ATOM 460 NH2 ARG A 33 -13.496 -2.345 2.439 1.00 0.00 N ATOM 0 H ARG A 33 -15.771 3.061 0.543 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.019 3.476 0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.165 2.237 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.436 1.989 -1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.803 1.306 0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.970 0.219 -0.657 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.623 -0.182 -0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.243 1.215 0.208 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.524 -0.079 2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.143 -1.606 -0.627 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.545 -3.069 0.277 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.043 -1.961 3.268 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.925 -3.270 2.474 1.00 0.00 H new ATOM 474 N PRO A 34 -12.776 5.075 -1.885 1.00 0.00 N ATOM 475 CA PRO A 34 -12.602 6.154 -2.861 1.00 0.00 C ATOM 476 C PRO A 34 -13.011 5.735 -4.268 1.00 0.00 C ATOM 477 O PRO A 34 -13.599 4.671 -4.464 1.00 0.00 O ATOM 478 CB PRO A 34 -11.100 6.445 -2.804 1.00 0.00 C ATOM 479 CG PRO A 34 -10.486 5.172 -2.332 1.00 0.00 C ATOM 480 CD PRO A 34 -11.489 4.549 -1.401 1.00 0.00 C ATOM 0 HA PRO A 34 -13.226 7.017 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.715 6.732 -3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.881 7.267 -2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.267 4.510 -3.170 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.542 5.360 -1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.457 3.460 -1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.304 4.831 -0.364 1.00 0.00 H new ATOM 488 N VAL A 35 -12.697 6.577 -5.247 1.00 0.00 N ATOM 489 CA VAL A 35 -13.030 6.293 -6.638 1.00 0.00 C ATOM 490 C VAL A 35 -11.772 6.147 -7.486 1.00 0.00 C ATOM 491 O VAL A 35 -10.727 6.716 -7.170 1.00 0.00 O ATOM 492 CB VAL A 35 -13.916 7.399 -7.240 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.361 8.774 -6.898 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.037 7.224 -8.746 1.00 0.00 C ATOM 0 H VAL A 35 -12.212 7.463 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.581 5.352 -6.646 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.913 7.318 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.000 9.543 -7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.331 8.895 -5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.353 8.870 -7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.667 8.014 -9.155 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.047 7.278 -9.199 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.484 6.254 -8.965 1.00 0.00 H new ATOM 504 N LYS A 36 -11.878 5.379 -8.566 1.00 0.00 N ATOM 505 CA LYS A 36 -10.750 5.158 -9.462 1.00 0.00 C ATOM 506 C LYS A 36 -10.643 6.282 -10.488 1.00 0.00 C ATOM 507 O LYS A 36 -11.515 6.443 -11.340 1.00 0.00 O ATOM 508 CB LYS A 36 -10.896 3.813 -10.177 1.00 0.00 C ATOM 509 CG LYS A 36 -9.717 3.468 -11.070 1.00 0.00 C ATOM 510 CD LYS A 36 -9.739 2.006 -11.482 1.00 0.00 C ATOM 511 CE LYS A 36 -9.352 1.095 -10.326 1.00 0.00 C ATOM 512 NZ LYS A 36 -7.887 0.832 -10.295 1.00 0.00 N ATOM 0 H LYS A 36 -12.735 4.899 -8.841 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.839 5.147 -8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.019 3.027 -9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.805 3.828 -10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.736 4.098 -11.959 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.786 3.685 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.735 1.742 -11.837 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.052 1.851 -12.314 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.659 1.552 -9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.889 0.150 -10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.682 0.092 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.571 0.516 -11.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.383 1.704 -10.036 1.00 0.00 H new ATOM 526 N GLY A 37 -9.565 7.056 -10.402 1.00 0.00 N ATOM 527 CA GLY A 37 -9.363 8.153 -11.330 1.00 0.00 C ATOM 528 C GLY A 37 -9.203 9.486 -10.625 1.00 0.00 C ATOM 529 O GLY A 37 -9.169 10.534 -11.269 1.00 0.00 O ATOM 0 H GLY A 37 -8.828 6.943 -9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.477 7.956 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.210 8.207 -12.014 1.00 0.00 H new ATOM 533 N GLN A 38 -9.106 9.446 -9.300 1.00 0.00 N ATOM 534 CA GLN A 38 -8.951 10.660 -8.509 1.00 0.00 C ATOM 535 C GLN A 38 -7.612 10.667 -7.779 1.00 0.00 C ATOM 536 O GLN A 38 -6.880 9.678 -7.793 1.00 0.00 O ATOM 537 CB GLN A 38 -10.096 10.788 -7.502 1.00 0.00 C ATOM 538 CG GLN A 38 -11.426 11.160 -8.137 1.00 0.00 C ATOM 539 CD GLN A 38 -12.335 11.914 -7.187 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.496 11.550 -7.000 1.00 0.00 O ATOM 541 NE2 GLN A 38 -11.810 12.972 -6.580 1.00 0.00 N ATOM 0 H GLN A 38 -9.132 8.586 -8.752 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.978 11.512 -9.188 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.208 9.843 -6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.834 11.542 -6.760 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.244 11.771 -9.021 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.930 10.254 -8.474 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.843 13.238 -6.765 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.374 13.519 -5.929 1.00 0.00 H new ATOM 550 N VAL A 39 -7.298 11.790 -7.141 1.00 0.00 N ATOM 551 CA VAL A 39 -6.047 11.926 -6.404 1.00 0.00 C ATOM 552 C VAL A 39 -6.167 11.334 -5.004 1.00 0.00 C ATOM 553 O VAL A 39 -6.863 11.877 -4.146 1.00 0.00 O ATOM 554 CB VAL A 39 -5.620 13.401 -6.290 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.540 13.565 -5.231 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.141 13.922 -7.637 1.00 0.00 C ATOM 0 H VAL A 39 -7.892 12.619 -7.120 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.289 11.378 -6.964 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.486 13.989 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.251 14.614 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.923 13.233 -4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.671 12.966 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.843 14.966 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.289 13.332 -7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.948 13.842 -8.366 1.00 0.00 H new ATOM 566 N VAL A 40 -5.483 10.217 -4.779 1.00 0.00 N ATOM 567 CA VAL A 40 -5.511 9.551 -3.482 1.00 0.00 C ATOM 568 C VAL A 40 -4.176 9.695 -2.761 1.00 0.00 C ATOM 569 O VAL A 40 -3.123 9.361 -3.307 1.00 0.00 O ATOM 570 CB VAL A 40 -5.845 8.054 -3.627 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.349 7.834 -3.566 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.269 7.503 -4.923 1.00 0.00 C ATOM 0 H VAL A 40 -4.902 9.754 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.291 10.035 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.389 7.516 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.566 6.771 -3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.730 8.190 -2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.830 8.383 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.514 6.444 -5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.693 8.044 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.186 7.625 -4.921 1.00 0.00 H new ATOM 582 N THR A 41 -4.225 10.194 -1.530 1.00 0.00 N ATOM 583 CA THR A 41 -3.019 10.384 -0.734 1.00 0.00 C ATOM 584 C THR A 41 -2.970 9.402 0.431 1.00 0.00 C ATOM 585 O THR A 41 -3.825 9.430 1.317 1.00 0.00 O ATOM 586 CB THR A 41 -2.929 11.820 -0.184 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.324 12.756 -1.193 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.515 12.134 0.281 1.00 0.00 C ATOM 0 H THR A 41 -5.087 10.474 -1.063 1.00 0.00 H new ATOM 0 HA THR A 41 -2.172 10.203 -1.395 1.00 0.00 H new ATOM 0 HB THR A 41 -3.601 11.901 0.670 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.266 13.667 -0.835 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.476 13.153 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.228 11.438 1.069 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.826 12.036 -0.558 1.00 0.00 H new ATOM 596 N VAL A 42 -1.963 8.534 0.426 1.00 0.00 N ATOM 597 CA VAL A 42 -1.801 7.544 1.484 1.00 0.00 C ATOM 598 C VAL A 42 -0.356 7.486 1.966 1.00 0.00 C ATOM 599 O VAL A 42 0.501 8.228 1.485 1.00 0.00 O ATOM 600 CB VAL A 42 -2.230 6.142 1.011 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.480 6.229 0.149 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.097 5.465 0.256 1.00 0.00 C ATOM 0 H VAL A 42 -1.247 8.497 -0.299 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.443 7.854 2.308 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.464 5.537 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.768 5.229 -0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.291 6.670 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.278 6.850 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.418 4.476 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.829 6.065 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.231 5.368 0.910 1.00 0.00 H new ATOM 612 N HIS A 43 -0.091 6.598 2.919 1.00 0.00 N ATOM 613 CA HIS A 43 1.252 6.441 3.466 1.00 0.00 C ATOM 614 C HIS A 43 1.778 5.031 3.219 1.00 0.00 C ATOM 615 O HIS A 43 1.404 4.086 3.917 1.00 0.00 O ATOM 616 CB HIS A 43 1.253 6.744 4.965 1.00 0.00 C ATOM 617 CG HIS A 43 2.627 6.890 5.545 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.795 6.290 5.217 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 2.914 7.736 6.596 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 4.757 6.781 6.065 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.200 7.652 6.887 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.788 5.976 3.328 1.00 0.00 H new ATOM 0 HA HIS A 43 1.909 7.148 2.960 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.693 7.662 5.142 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.729 5.945 5.489 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.199 8.368 7.102 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.800 6.500 6.061 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.681 8.171 7.621 1.00 0.00 H new ATOM 630 N LEU A 44 2.646 4.894 2.223 1.00 0.00 N ATOM 631 CA LEU A 44 3.223 3.598 1.883 1.00 0.00 C ATOM 632 C LEU A 44 4.655 3.488 2.397 1.00 0.00 C ATOM 633 O LEU A 44 5.455 4.409 2.234 1.00 0.00 O ATOM 634 CB LEU A 44 3.195 3.387 0.369 1.00 0.00 C ATOM 635 CG LEU A 44 4.349 2.572 -0.217 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.643 3.370 -0.169 1.00 0.00 C ATOM 637 CD2 LEU A 44 4.504 1.255 0.529 1.00 0.00 C ATOM 0 H LEU A 44 2.966 5.665 1.636 1.00 0.00 H new ATOM 0 HA LEU A 44 2.624 2.824 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.259 2.893 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.185 4.364 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 44 4.121 2.351 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.453 2.775 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.527 4.286 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.877 3.622 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.330 0.688 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.710 1.455 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.584 0.678 0.443 1.00 0.00 H new ATOM 649 N GLN A 45 4.971 2.355 3.016 1.00 0.00 N ATOM 650 CA GLN A 45 6.308 2.125 3.552 1.00 0.00 C ATOM 651 C GLN A 45 6.824 0.747 3.153 1.00 0.00 C ATOM 652 O GLN A 45 6.295 -0.277 3.588 1.00 0.00 O ATOM 653 CB GLN A 45 6.299 2.259 5.076 1.00 0.00 C ATOM 654 CG GLN A 45 6.105 3.686 5.560 1.00 0.00 C ATOM 655 CD GLN A 45 6.640 3.904 6.962 1.00 0.00 C ATOM 656 OE1 GLN A 45 5.917 4.355 7.851 1.00 0.00 O ATOM 657 NE2 GLN A 45 7.912 3.584 7.168 1.00 0.00 N ATOM 0 H GLN A 45 4.320 1.583 3.159 1.00 0.00 H new ATOM 0 HA GLN A 45 6.975 2.878 3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.503 1.635 5.483 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.239 1.875 5.472 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.605 4.370 4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.043 3.932 5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.475 3.213 6.403 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.326 3.709 8.092 1.00 0.00 H new ATOM 666 N THR A 46 7.862 0.726 2.322 1.00 0.00 N ATOM 667 CA THR A 46 8.449 -0.526 1.863 1.00 0.00 C ATOM 668 C THR A 46 9.484 -1.044 2.855 1.00 0.00 C ATOM 669 O THR A 46 10.324 -0.287 3.342 1.00 0.00 O ATOM 670 CB THR A 46 9.114 -0.362 0.483 1.00 0.00 C ATOM 671 OG1 THR A 46 8.205 0.269 -0.426 1.00 0.00 O ATOM 672 CG2 THR A 46 9.542 -1.711 -0.075 1.00 0.00 C ATOM 0 H THR A 46 8.313 1.563 1.953 1.00 0.00 H new ATOM 0 HA THR A 46 7.635 -1.246 1.782 1.00 0.00 H new ATOM 0 HB THR A 46 10.000 0.262 0.602 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.635 0.371 -1.301 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.009 -1.570 -1.050 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.255 -2.176 0.605 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.669 -2.355 -0.181 1.00 0.00 H new ATOM 680 N SER A 47 9.419 -2.338 3.150 1.00 0.00 N ATOM 681 CA SER A 47 10.350 -2.957 4.086 1.00 0.00 C ATOM 682 C SER A 47 10.567 -4.428 3.745 1.00 0.00 C ATOM 683 O SER A 47 9.623 -5.146 3.414 1.00 0.00 O ATOM 684 CB SER A 47 9.828 -2.825 5.518 1.00 0.00 C ATOM 685 OG SER A 47 8.432 -3.061 5.576 1.00 0.00 O ATOM 0 H SER A 47 8.731 -2.979 2.754 1.00 0.00 H new ATOM 0 HA SER A 47 11.306 -2.439 4.005 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.347 -3.533 6.164 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.047 -1.827 5.898 1.00 0.00 H new ATOM 0 HG SER A 47 8.123 -2.972 6.502 1.00 0.00 H new ATOM 691 N LEU A 48 11.817 -4.870 3.829 1.00 0.00 N ATOM 692 CA LEU A 48 12.160 -6.256 3.530 1.00 0.00 C ATOM 693 C LEU A 48 11.479 -7.209 4.507 1.00 0.00 C ATOM 694 O LEU A 48 11.281 -6.876 5.675 1.00 0.00 O ATOM 695 CB LEU A 48 13.676 -6.449 3.583 1.00 0.00 C ATOM 696 CG LEU A 48 14.433 -6.184 2.282 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.206 -7.316 1.292 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.008 -4.853 1.679 1.00 0.00 C ATOM 0 H LEU A 48 12.610 -4.289 4.102 1.00 0.00 H new ATOM 0 HA LEU A 48 11.806 -6.483 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.079 -5.792 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.881 -7.473 3.897 1.00 0.00 H new ATOM 0 HG LEU A 48 15.498 -6.134 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.753 -7.110 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.561 -8.252 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.142 -7.398 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.557 -4.681 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.939 -4.874 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.223 -4.049 2.383 1.00 0.00 H new ATOM 710 N GLU A 49 11.126 -8.394 4.021 1.00 0.00 N ATOM 711 CA GLU A 49 10.469 -9.396 4.853 1.00 0.00 C ATOM 712 C GLU A 49 11.168 -9.525 6.203 1.00 0.00 C ATOM 713 O GLU A 49 10.544 -9.864 7.208 1.00 0.00 O ATOM 714 CB GLU A 49 10.454 -10.751 4.143 1.00 0.00 C ATOM 715 CG GLU A 49 9.872 -11.873 4.986 1.00 0.00 C ATOM 716 CD GLU A 49 10.469 -13.226 4.649 1.00 0.00 C ATOM 717 OE1 GLU A 49 11.701 -13.381 4.781 1.00 0.00 O ATOM 718 OE2 GLU A 49 9.703 -14.129 4.253 1.00 0.00 O ATOM 0 H GLU A 49 11.284 -8.684 3.056 1.00 0.00 H new ATOM 0 HA GLU A 49 9.442 -9.072 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.877 -10.663 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.473 -11.013 3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.044 -11.657 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.792 -11.910 4.840 1.00 0.00 H new ATOM 725 N ASN A 50 12.469 -9.252 6.218 1.00 0.00 N ATOM 726 CA ASN A 50 13.255 -9.338 7.444 1.00 0.00 C ATOM 727 C ASN A 50 13.004 -8.127 8.337 1.00 0.00 C ATOM 728 O ASN A 50 12.784 -8.264 9.539 1.00 0.00 O ATOM 729 CB ASN A 50 14.745 -9.443 7.113 1.00 0.00 C ATOM 730 CG ASN A 50 15.325 -8.126 6.633 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.490 -7.188 7.413 1.00 0.00 O ATOM 732 ND2 ASN A 50 15.636 -8.052 5.345 1.00 0.00 N ATOM 0 H ASN A 50 13.001 -8.969 5.395 1.00 0.00 H new ATOM 0 HA ASN A 50 12.946 -10.234 7.982 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.288 -9.775 7.998 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.891 -10.203 6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.030 -7.192 4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.482 -8.856 4.736 1.00 0.00 H new ATOM 739 N GLY A 51 13.040 -6.940 7.739 1.00 0.00 N ATOM 740 CA GLY A 51 12.815 -5.721 8.494 1.00 0.00 C ATOM 741 C GLY A 51 13.750 -4.602 8.081 1.00 0.00 C ATOM 742 O GLY A 51 14.125 -3.761 8.899 1.00 0.00 O ATOM 0 H GLY A 51 13.221 -6.801 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.783 -5.397 8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.946 -5.926 9.557 1.00 0.00 H new ATOM 746 N THR A 52 14.130 -4.590 6.806 1.00 0.00 N ATOM 747 CA THR A 52 15.028 -3.568 6.286 1.00 0.00 C ATOM 748 C THR A 52 14.272 -2.548 5.443 1.00 0.00 C ATOM 749 O THR A 52 14.135 -2.710 4.230 1.00 0.00 O ATOM 750 CB THR A 52 16.152 -4.188 5.435 1.00 0.00 C ATOM 751 OG1 THR A 52 16.793 -5.242 6.162 1.00 0.00 O ATOM 752 CG2 THR A 52 17.180 -3.136 5.045 1.00 0.00 C ATOM 0 H THR A 52 13.829 -5.278 6.115 1.00 0.00 H new ATOM 0 HA THR A 52 15.469 -3.067 7.148 1.00 0.00 H new ATOM 0 HB THR A 52 15.707 -4.593 4.526 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.132 -5.705 6.718 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.964 -3.598 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.695 -2.350 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.619 -2.705 5.945 1.00 0.00 H new ATOM 760 N ARG A 53 13.782 -1.496 6.093 1.00 0.00 N ATOM 761 CA ARG A 53 13.039 -0.450 5.402 1.00 0.00 C ATOM 762 C ARG A 53 13.824 0.074 4.203 1.00 0.00 C ATOM 763 O ARG A 53 14.896 0.658 4.356 1.00 0.00 O ATOM 764 CB ARG A 53 12.725 0.700 6.361 1.00 0.00 C ATOM 765 CG ARG A 53 11.404 0.539 7.094 1.00 0.00 C ATOM 766 CD ARG A 53 10.780 1.886 7.421 1.00 0.00 C ATOM 767 NE ARG A 53 11.454 2.545 8.536 1.00 0.00 N ATOM 768 CZ ARG A 53 11.165 2.311 9.812 1.00 0.00 C ATOM 769 NH1 ARG A 53 10.220 1.439 10.131 1.00 0.00 N ATOM 770 NH2 ARG A 53 11.823 2.951 10.770 1.00 0.00 N ATOM 0 H ARG A 53 13.887 -1.347 7.097 1.00 0.00 H new ATOM 0 HA ARG A 53 12.104 -0.880 5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.529 0.781 7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.708 1.635 5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.715 -0.043 6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.564 -0.022 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.822 2.528 6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.727 1.748 7.665 1.00 0.00 H new ATOM 0 HE ARG A 53 12.187 3.222 8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.712 0.946 9.397 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.000 1.261 11.111 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.551 3.623 10.527 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.601 2.771 11.749 1.00 0.00 H new ATOM 784 N VAL A 54 13.281 -0.141 3.008 1.00 0.00 N ATOM 785 CA VAL A 54 13.930 0.309 1.782 1.00 0.00 C ATOM 786 C VAL A 54 13.598 1.768 1.488 1.00 0.00 C ATOM 787 O VAL A 54 14.453 2.530 1.038 1.00 0.00 O ATOM 788 CB VAL A 54 13.512 -0.554 0.577 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.151 -0.032 -0.701 1.00 0.00 C ATOM 790 CG2 VAL A 54 13.883 -2.011 0.811 1.00 0.00 C ATOM 0 H VAL A 54 12.394 -0.624 2.863 1.00 0.00 H new ATOM 0 HA VAL A 54 15.004 0.208 1.937 1.00 0.00 H new ATOM 0 HB VAL A 54 12.429 -0.491 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.844 -0.654 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.831 0.995 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.236 -0.063 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.580 -2.606 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.961 -2.094 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.374 -2.377 1.702 1.00 0.00 H new ATOM 800 N GLN A 55 12.351 2.148 1.747 1.00 0.00 N ATOM 801 CA GLN A 55 11.906 3.517 1.509 1.00 0.00 C ATOM 802 C GLN A 55 10.756 3.884 2.441 1.00 0.00 C ATOM 803 O GLN A 55 10.159 3.016 3.077 1.00 0.00 O ATOM 804 CB GLN A 55 11.473 3.689 0.053 1.00 0.00 C ATOM 805 CG GLN A 55 10.072 3.171 -0.231 1.00 0.00 C ATOM 806 CD GLN A 55 9.548 3.615 -1.582 1.00 0.00 C ATOM 807 OE1 GLN A 55 9.215 2.790 -2.434 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.472 4.925 -1.787 1.00 0.00 N ATOM 0 H GLN A 55 11.632 1.529 2.121 1.00 0.00 H new ATOM 0 HA GLN A 55 12.743 4.185 1.713 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.520 4.746 -0.209 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.181 3.169 -0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.076 2.082 -0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.395 3.519 0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.758 5.573 -1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.127 5.283 -2.678 1.00 0.00 H new ATOM 817 N GLU A 56 10.451 5.176 2.516 1.00 0.00 N ATOM 818 CA GLU A 56 9.373 5.657 3.372 1.00 0.00 C ATOM 819 C GLU A 56 8.709 6.892 2.768 1.00 0.00 C ATOM 820 O GLU A 56 9.276 7.983 2.783 1.00 0.00 O ATOM 821 CB GLU A 56 9.907 5.984 4.768 1.00 0.00 C ATOM 822 CG GLU A 56 8.849 6.532 5.711 1.00 0.00 C ATOM 823 CD GLU A 56 9.414 6.906 7.067 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.462 6.027 7.953 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.810 8.077 7.243 1.00 0.00 O ATOM 0 H GLU A 56 10.935 5.907 1.995 1.00 0.00 H new ATOM 0 HA GLU A 56 8.627 4.866 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.338 5.082 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.714 6.712 4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.385 7.409 5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.063 5.788 5.842 1.00 0.00 H new ATOM 832 N GLU A 57 7.504 6.708 2.237 1.00 0.00 N ATOM 833 CA GLU A 57 6.764 7.806 1.626 1.00 0.00 C ATOM 834 C GLU A 57 5.601 8.239 2.515 1.00 0.00 C ATOM 835 O GLU A 57 4.557 7.589 2.575 1.00 0.00 O ATOM 836 CB GLU A 57 6.241 7.395 0.249 1.00 0.00 C ATOM 837 CG GLU A 57 6.070 8.560 -0.711 1.00 0.00 C ATOM 838 CD GLU A 57 6.135 8.134 -2.165 1.00 0.00 C ATOM 839 OE1 GLU A 57 6.633 7.021 -2.435 1.00 0.00 O ATOM 840 OE2 GLU A 57 5.688 8.913 -3.032 1.00 0.00 O ATOM 0 H GLU A 57 7.020 5.810 2.218 1.00 0.00 H new ATOM 0 HA GLU A 57 7.445 8.649 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.928 6.672 -0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.282 6.891 0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.112 9.045 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.846 9.301 -0.519 1.00 0.00 H new ATOM 847 N PRO A 58 5.785 9.363 3.224 1.00 0.00 N ATOM 848 CA PRO A 58 4.763 9.908 4.123 1.00 0.00 C ATOM 849 C PRO A 58 3.563 10.466 3.365 1.00 0.00 C ATOM 850 O PRO A 58 2.416 10.166 3.696 1.00 0.00 O ATOM 851 CB PRO A 58 5.500 11.030 4.858 1.00 0.00 C ATOM 852 CG PRO A 58 6.593 11.437 3.930 1.00 0.00 C ATOM 853 CD PRO A 58 7.004 10.188 3.202 1.00 0.00 C ATOM 0 HA PRO A 58 4.352 9.145 4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.834 11.865 5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.899 10.684 5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.248 12.200 3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.433 11.863 4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.324 10.404 2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.836 9.689 3.699 1.00 0.00 H new ATOM 861 N GLU A 59 3.836 11.277 2.348 1.00 0.00 N ATOM 862 CA GLU A 59 2.776 11.876 1.545 1.00 0.00 C ATOM 863 C GLU A 59 2.787 11.317 0.126 1.00 0.00 C ATOM 864 O GLU A 59 3.192 11.996 -0.819 1.00 0.00 O ATOM 865 CB GLU A 59 2.934 13.398 1.507 1.00 0.00 C ATOM 866 CG GLU A 59 1.819 14.106 0.755 1.00 0.00 C ATOM 867 CD GLU A 59 1.796 15.600 1.017 1.00 0.00 C ATOM 868 OE1 GLU A 59 2.833 16.257 0.788 1.00 0.00 O ATOM 869 OE2 GLU A 59 0.743 16.111 1.451 1.00 0.00 O ATOM 0 H GLU A 59 4.780 11.534 2.061 1.00 0.00 H new ATOM 0 HA GLU A 59 1.820 11.628 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.970 13.777 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.888 13.645 1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.938 13.930 -0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.860 13.675 1.044 1.00 0.00 H new ATOM 876 N LEU A 60 2.341 10.074 -0.017 1.00 0.00 N ATOM 877 CA LEU A 60 2.300 9.421 -1.321 1.00 0.00 C ATOM 878 C LEU A 60 1.009 9.760 -2.059 1.00 0.00 C ATOM 879 O LEU A 60 -0.088 9.512 -1.559 1.00 0.00 O ATOM 880 CB LEU A 60 2.424 7.905 -1.159 1.00 0.00 C ATOM 881 CG LEU A 60 2.059 7.066 -2.384 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.554 7.071 -2.604 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.782 7.583 -3.619 1.00 0.00 C ATOM 0 H LEU A 60 2.003 9.498 0.754 1.00 0.00 H new ATOM 0 HA LEU A 60 3.141 9.787 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.451 7.673 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.789 7.595 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 60 2.376 6.039 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.312 6.469 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.057 6.654 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.213 8.094 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.510 6.974 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.495 8.619 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.859 7.527 -3.460 1.00 0.00 H new ATOM 895 N VAL A 61 1.147 10.328 -3.253 1.00 0.00 N ATOM 896 CA VAL A 61 -0.008 10.698 -4.063 1.00 0.00 C ATOM 897 C VAL A 61 0.063 10.061 -5.445 1.00 0.00 C ATOM 898 O VAL A 61 1.145 9.886 -6.006 1.00 0.00 O ATOM 899 CB VAL A 61 -0.116 12.227 -4.219 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.078 12.771 -4.988 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.420 12.600 -4.908 1.00 0.00 C ATOM 0 H VAL A 61 2.048 10.542 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.892 10.329 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.114 12.678 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.984 13.852 -5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.996 12.535 -4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.111 12.316 -5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.480 13.683 -5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.454 12.140 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.261 12.244 -4.313 1.00 0.00 H new ATOM 911 N PHE A 62 -1.098 9.714 -5.991 1.00 0.00 N ATOM 912 CA PHE A 62 -1.169 9.095 -7.310 1.00 0.00 C ATOM 913 C PHE A 62 -2.595 9.131 -7.852 1.00 0.00 C ATOM 914 O PHE A 62 -3.544 9.414 -7.119 1.00 0.00 O ATOM 915 CB PHE A 62 -0.673 7.649 -7.244 1.00 0.00 C ATOM 916 CG PHE A 62 -1.595 6.732 -6.493 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.820 6.368 -7.029 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.237 6.233 -5.251 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.670 5.525 -6.340 1.00 0.00 C ATOM 920 CE2 PHE A 62 -2.083 5.390 -4.557 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.301 5.034 -5.102 1.00 0.00 C ATOM 0 H PHE A 62 -2.003 9.851 -5.540 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.528 9.662 -7.985 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.545 7.271 -8.258 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.309 7.631 -6.771 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.113 6.748 -7.996 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.285 6.506 -4.820 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.622 5.250 -6.768 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.792 5.010 -3.589 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.963 4.374 -4.562 1.00 0.00 H new ATOM 931 N THR A 63 -2.739 8.843 -9.142 1.00 0.00 N ATOM 932 CA THR A 63 -4.047 8.844 -9.784 1.00 0.00 C ATOM 933 C THR A 63 -4.609 7.431 -9.890 1.00 0.00 C ATOM 934 O THR A 63 -4.311 6.703 -10.838 1.00 0.00 O ATOM 935 CB THR A 63 -3.982 9.466 -11.192 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.550 10.828 -11.106 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.339 9.401 -11.876 1.00 0.00 C ATOM 0 H THR A 63 -1.965 8.606 -9.763 1.00 0.00 H new ATOM 0 HA THR A 63 -4.705 9.447 -9.159 1.00 0.00 H new ATOM 0 HB THR A 63 -3.267 8.895 -11.785 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.510 11.216 -12.005 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.268 9.846 -12.868 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.651 8.361 -11.966 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.072 9.950 -11.284 1.00 0.00 H new ATOM 945 N LEU A 64 -5.423 7.048 -8.913 1.00 0.00 N ATOM 946 CA LEU A 64 -6.027 5.721 -8.897 1.00 0.00 C ATOM 947 C LEU A 64 -6.626 5.378 -10.257 1.00 0.00 C ATOM 948 O LEU A 64 -7.317 6.194 -10.866 1.00 0.00 O ATOM 949 CB LEU A 64 -7.109 5.644 -7.817 1.00 0.00 C ATOM 950 CG LEU A 64 -7.726 4.265 -7.582 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.672 3.285 -7.092 1.00 0.00 C ATOM 952 CD2 LEU A 64 -8.875 4.357 -6.589 1.00 0.00 C ATOM 0 H LEU A 64 -5.680 7.638 -8.121 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.245 4.996 -8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.682 5.994 -6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.908 6.337 -8.081 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.120 3.898 -8.530 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.130 2.309 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.883 3.196 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.247 3.646 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.302 3.366 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.505 4.745 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.642 5.025 -6.981 1.00 0.00 H new ATOM 964 N GLY A 65 -6.357 4.164 -10.728 1.00 0.00 N ATOM 965 CA GLY A 65 -6.878 3.734 -12.012 1.00 0.00 C ATOM 966 C GLY A 65 -5.875 3.912 -13.134 1.00 0.00 C ATOM 967 O GLY A 65 -6.209 3.747 -14.307 1.00 0.00 O ATOM 0 H GLY A 65 -5.787 3.471 -10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.167 2.685 -11.950 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.780 4.300 -12.242 1.00 0.00 H new ATOM 971 N ASP A 66 -4.642 4.251 -12.774 1.00 0.00 N ATOM 972 CA ASP A 66 -3.586 4.452 -13.760 1.00 0.00 C ATOM 973 C ASP A 66 -2.339 3.655 -13.391 1.00 0.00 C ATOM 974 O ASP A 66 -1.284 3.814 -14.006 1.00 0.00 O ATOM 975 CB ASP A 66 -3.241 5.938 -13.873 1.00 0.00 C ATOM 976 CG ASP A 66 -4.073 6.647 -14.923 1.00 0.00 C ATOM 977 OD1 ASP A 66 -4.041 6.217 -16.095 1.00 0.00 O ATOM 978 OD2 ASP A 66 -4.756 7.633 -14.573 1.00 0.00 O ATOM 0 H ASP A 66 -4.349 4.392 -11.807 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.950 4.097 -14.724 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.395 6.418 -12.907 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.184 6.045 -14.118 1.00 0.00 H new ATOM 983 N CYS A 67 -2.467 2.799 -12.383 1.00 0.00 N ATOM 984 CA CYS A 67 -1.350 1.977 -11.931 1.00 0.00 C ATOM 985 C CYS A 67 -0.078 2.810 -11.805 1.00 0.00 C ATOM 986 O CYS A 67 1.018 2.338 -12.107 1.00 0.00 O ATOM 987 CB CYS A 67 -1.119 0.816 -12.898 1.00 0.00 C ATOM 988 SG CYS A 67 -0.423 -0.663 -12.124 1.00 0.00 S ATOM 0 H CYS A 67 -3.333 2.656 -11.863 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.600 1.577 -10.948 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.067 0.555 -13.368 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.450 1.147 -13.692 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.266 -1.590 -13.022 1.00 0.00 H new ATOM 994 N ASP A 68 -0.233 4.052 -11.359 1.00 0.00 N ATOM 995 CA ASP A 68 0.903 4.952 -11.194 1.00 0.00 C ATOM 996 C ASP A 68 1.745 4.549 -9.987 1.00 0.00 C ATOM 997 O ASP A 68 2.811 5.114 -9.745 1.00 0.00 O ATOM 998 CB ASP A 68 0.419 6.394 -11.035 1.00 0.00 C ATOM 999 CG ASP A 68 0.246 7.097 -12.367 1.00 0.00 C ATOM 1000 OD1 ASP A 68 1.165 7.009 -13.208 1.00 0.00 O ATOM 1001 OD2 ASP A 68 -0.808 7.735 -12.568 1.00 0.00 O ATOM 0 H ASP A 68 -1.134 4.458 -11.105 1.00 0.00 H new ATOM 0 HA ASP A 68 1.524 4.881 -12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.530 6.399 -10.499 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.132 6.948 -10.425 1.00 0.00 H new ATOM 1006 N VAL A 69 1.258 3.568 -9.234 1.00 0.00 N ATOM 1007 CA VAL A 69 1.965 3.089 -8.052 1.00 0.00 C ATOM 1008 C VAL A 69 2.051 1.567 -8.043 1.00 0.00 C ATOM 1009 O VAL A 69 1.523 0.900 -8.933 1.00 0.00 O ATOM 1010 CB VAL A 69 1.279 3.562 -6.757 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.472 5.058 -6.566 1.00 0.00 C ATOM 1012 CG2 VAL A 69 -0.199 3.204 -6.777 1.00 0.00 C ATOM 0 H VAL A 69 0.377 3.089 -9.421 1.00 0.00 H new ATOM 0 HA VAL A 69 2.971 3.507 -8.094 1.00 0.00 H new ATOM 0 HB VAL A 69 1.742 3.051 -5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.980 5.374 -5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.537 5.282 -6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.037 5.592 -7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.669 3.545 -5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.679 3.687 -7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.310 2.123 -6.862 1.00 0.00 H new ATOM 1022 N ILE A 70 2.720 1.024 -7.031 1.00 0.00 N ATOM 1023 CA ILE A 70 2.873 -0.420 -6.905 1.00 0.00 C ATOM 1024 C ILE A 70 1.559 -1.140 -7.190 1.00 0.00 C ATOM 1025 O ILE A 70 0.480 -0.608 -6.928 1.00 0.00 O ATOM 1026 CB ILE A 70 3.366 -0.813 -5.500 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.455 0.153 -5.029 1.00 0.00 C ATOM 1028 CG2 ILE A 70 3.884 -2.244 -5.501 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.506 0.436 -6.078 1.00 0.00 C ATOM 0 H ILE A 70 3.164 1.562 -6.287 1.00 0.00 H new ATOM 0 HA ILE A 70 3.617 -0.723 -7.641 1.00 0.00 H new ATOM 0 HB ILE A 70 2.527 -0.751 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.991 1.092 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.939 -0.261 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.229 -2.507 -4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.083 -2.921 -5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.712 -2.331 -6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.245 1.128 -5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.997 -0.495 -6.362 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.035 0.879 -6.955 1.00 0.00 H new ATOM 1041 N GLN A 71 1.659 -2.352 -7.726 1.00 0.00 N ATOM 1042 CA GLN A 71 0.477 -3.144 -8.046 1.00 0.00 C ATOM 1043 C GLN A 71 -0.189 -3.665 -6.776 1.00 0.00 C ATOM 1044 O GLN A 71 -1.339 -4.101 -6.802 1.00 0.00 O ATOM 1045 CB GLN A 71 0.854 -4.316 -8.955 1.00 0.00 C ATOM 1046 CG GLN A 71 0.832 -3.968 -10.435 1.00 0.00 C ATOM 1047 CD GLN A 71 1.016 -5.184 -11.322 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.093 -5.779 -11.364 1.00 0.00 O ATOM 1049 NE2 GLN A 71 -0.038 -5.560 -12.038 1.00 0.00 N ATOM 0 H GLN A 71 2.545 -2.807 -7.948 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.231 -2.500 -8.568 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.851 -4.667 -8.687 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.166 -5.142 -8.774 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.115 -3.486 -10.677 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.620 -3.246 -10.647 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.912 -5.038 -11.973 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.026 -6.371 -12.653 1.00 0.00 H new ATOM 1058 N ALA A 72 0.542 -3.615 -5.667 1.00 0.00 N ATOM 1059 CA ALA A 72 0.021 -4.079 -4.388 1.00 0.00 C ATOM 1060 C ALA A 72 -0.573 -2.926 -3.586 1.00 0.00 C ATOM 1061 O ALA A 72 -1.187 -3.136 -2.539 1.00 0.00 O ATOM 1062 CB ALA A 72 1.118 -4.769 -3.591 1.00 0.00 C ATOM 0 H ALA A 72 1.497 -3.258 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.775 -4.797 -4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.715 -5.111 -2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.494 -5.624 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.932 -4.068 -3.410 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.387 -1.709 -4.083 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.904 -0.521 -3.411 1.00 0.00 C ATOM 1070 C LEU A 73 -2.126 0.028 -4.141 1.00 0.00 C ATOM 1071 O LEU A 73 -3.143 0.341 -3.521 1.00 0.00 O ATOM 1072 CB LEU A 73 0.180 0.555 -3.328 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.313 1.999 -3.242 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -0.936 2.271 -1.881 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.829 2.969 -3.511 1.00 0.00 C ATOM 0 H LEU A 73 0.118 -1.518 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.203 -0.805 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.800 0.351 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.823 0.463 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.077 2.148 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.281 3.304 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.781 1.600 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.193 2.104 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.460 3.993 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.616 2.819 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.230 2.791 -4.509 1.00 0.00 H new ATOM 1087 N ASP A 74 -2.019 0.140 -5.460 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.117 0.648 -6.275 1.00 0.00 C ATOM 1089 C ASP A 74 -4.288 -0.329 -6.280 1.00 0.00 C ATOM 1090 O ASP A 74 -5.436 0.062 -6.495 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.642 0.901 -7.707 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.429 2.001 -8.392 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -3.144 3.188 -8.127 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -4.329 1.675 -9.194 1.00 0.00 O ATOM 0 H ASP A 74 -1.184 -0.114 -5.988 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.454 1.589 -5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.585 1.168 -7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.731 -0.019 -8.284 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.991 -1.602 -6.043 1.00 0.00 N ATOM 1100 CA LEU A 75 -5.019 -2.636 -6.020 1.00 0.00 C ATOM 1101 C LEU A 75 -5.586 -2.810 -4.615 1.00 0.00 C ATOM 1102 O LEU A 75 -6.520 -3.583 -4.403 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.445 -3.964 -6.519 1.00 0.00 C ATOM 1104 CG LEU A 75 -4.045 -4.011 -7.993 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.326 -2.731 -8.392 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -3.170 -5.225 -8.270 1.00 0.00 C ATOM 0 H LEU A 75 -3.046 -1.943 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.827 -2.325 -6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.569 -4.207 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.182 -4.746 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.951 -4.097 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.049 -2.783 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.986 -1.878 -8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.428 -2.614 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.895 -5.242 -9.325 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.268 -5.170 -7.660 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.720 -6.133 -8.024 1.00 0.00 H new ATOM 1118 N SER A 76 -5.017 -2.083 -3.659 1.00 0.00 N ATOM 1119 CA SER A 76 -5.465 -2.157 -2.273 1.00 0.00 C ATOM 1120 C SER A 76 -6.183 -0.875 -1.865 1.00 0.00 C ATOM 1121 O SER A 76 -7.123 -0.902 -1.069 1.00 0.00 O ATOM 1122 CB SER A 76 -4.276 -2.408 -1.343 1.00 0.00 C ATOM 1123 OG SER A 76 -3.501 -1.233 -1.180 1.00 0.00 O ATOM 0 H SER A 76 -4.245 -1.436 -3.819 1.00 0.00 H new ATOM 0 HA SER A 76 -6.165 -2.988 -2.187 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.635 -2.749 -0.372 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.653 -3.205 -1.750 1.00 0.00 H new ATOM 0 HG SER A 76 -3.435 -0.763 -2.038 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.734 0.248 -2.415 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.333 1.542 -2.110 1.00 0.00 C ATOM 1131 C VAL A 77 -7.853 1.482 -2.215 1.00 0.00 C ATOM 1132 O VAL A 77 -8.579 1.817 -1.278 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.807 2.641 -3.053 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.839 3.747 -3.212 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.490 3.199 -2.537 1.00 0.00 C ATOM 0 H VAL A 77 -4.957 0.288 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.052 1.788 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.629 2.200 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.450 4.514 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.756 3.332 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.052 4.189 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.133 3.974 -3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.639 3.625 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.753 2.398 -2.481 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.349 1.046 -3.383 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.787 0.931 -3.638 1.00 0.00 C ATOM 1147 C PRO A 78 -10.431 -0.193 -2.833 1.00 0.00 C ATOM 1148 O PRO A 78 -11.626 -0.461 -2.967 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.858 0.623 -5.136 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.550 -0.015 -5.454 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.542 0.631 -4.543 1.00 0.00 C ATOM 0 HA PRO A 78 -10.325 1.833 -3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.690 -0.044 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.008 1.531 -5.720 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.591 -1.092 -5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.285 0.138 -6.500 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.754 -0.066 -4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.056 1.482 -5.020 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.633 -0.846 -1.995 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.126 -1.941 -1.167 1.00 0.00 C ATOM 1161 C LEU A 79 -10.114 -1.555 0.309 1.00 0.00 C ATOM 1162 O LEU A 79 -10.231 -2.411 1.185 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.276 -3.194 -1.385 1.00 0.00 C ATOM 1164 CG LEU A 79 -8.868 -3.485 -2.830 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.252 -4.870 -2.942 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.066 -3.355 -3.759 1.00 0.00 C ATOM 0 H LEU A 79 -8.643 -0.636 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.154 -2.152 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.371 -3.104 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.827 -4.054 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.119 -2.752 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.968 -5.059 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.368 -4.927 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.978 -5.618 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.757 -3.565 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.837 -4.065 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.463 -2.342 -3.701 1.00 0.00 H new ATOM 1178 N MET A 80 -9.973 -0.261 0.576 1.00 0.00 N ATOM 1179 CA MET A 80 -9.949 0.238 1.946 1.00 0.00 C ATOM 1180 C MET A 80 -10.644 1.592 2.043 1.00 0.00 C ATOM 1181 O MET A 80 -10.448 2.464 1.196 1.00 0.00 O ATOM 1182 CB MET A 80 -8.507 0.355 2.444 1.00 0.00 C ATOM 1183 CG MET A 80 -7.577 1.040 1.456 1.00 0.00 C ATOM 1184 SD MET A 80 -5.836 0.742 1.819 1.00 0.00 S ATOM 1185 CE MET A 80 -5.709 1.439 3.464 1.00 0.00 C ATOM 0 H MET A 80 -9.874 0.461 -0.138 1.00 0.00 H new ATOM 0 HA MET A 80 -10.486 -0.472 2.575 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.499 0.910 3.382 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.124 -0.642 2.660 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.800 0.687 0.449 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.768 2.113 1.467 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.667 1.675 3.680 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.306 2.349 3.521 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.077 0.718 4.194 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.457 1.762 3.080 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.181 3.010 3.289 1.00 0.00 C ATOM 1197 C ASP A 81 -11.239 4.112 3.765 1.00 0.00 C ATOM 1198 O ASP A 81 -10.216 3.839 4.394 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.306 2.809 4.305 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.237 1.676 3.921 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -15.011 1.845 2.955 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -14.192 0.620 4.585 1.00 0.00 O ATOM 0 H ASP A 81 -11.631 1.050 3.790 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.614 3.314 2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.874 2.605 5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.879 3.732 4.395 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.591 5.357 3.462 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.777 6.500 3.859 1.00 0.00 C ATOM 1209 C VAL A 82 -10.676 6.601 5.377 1.00 0.00 C ATOM 1210 O VAL A 82 -11.673 6.822 6.063 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.351 7.817 3.305 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -12.871 7.810 3.376 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.780 9.007 4.061 1.00 0.00 C ATOM 0 H VAL A 82 -12.435 5.600 2.943 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.783 6.342 3.441 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.061 7.907 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.258 8.749 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.259 6.980 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.186 7.696 4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.197 9.929 3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.038 8.925 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.695 9.021 3.953 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.462 6.439 5.896 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.252 6.516 7.330 1.00 0.00 C ATOM 1225 C GLY A 83 -8.986 5.159 7.950 1.00 0.00 C ATOM 1226 O GLY A 83 -8.927 5.029 9.172 1.00 0.00 O ATOM 0 H GLY A 83 -8.621 6.256 5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.410 7.177 7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.129 6.961 7.799 1.00 0.00 H new ATOM 1230 N GLU A 84 -8.826 4.145 7.106 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.566 2.790 7.580 1.00 0.00 C ATOM 1232 C GLU A 84 -7.167 2.332 7.179 1.00 0.00 C ATOM 1233 O GLU A 84 -6.816 2.330 5.999 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.611 1.822 7.022 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.152 0.374 7.006 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.119 -0.537 6.274 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -9.961 -0.705 5.046 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -11.033 -1.081 6.928 1.00 0.00 O ATOM 0 H GLU A 84 -8.872 4.235 6.091 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.630 2.795 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.520 1.899 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.868 2.124 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.172 0.313 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.033 0.023 8.031 1.00 0.00 H new ATOM 1245 N THR A 85 -6.371 1.944 8.171 1.00 0.00 N ATOM 1246 CA THR A 85 -5.010 1.486 7.923 1.00 0.00 C ATOM 1247 C THR A 85 -4.985 0.004 7.565 1.00 0.00 C ATOM 1248 O THR A 85 -5.329 -0.848 8.384 1.00 0.00 O ATOM 1249 CB THR A 85 -4.106 1.721 9.149 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.158 3.098 9.538 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.669 1.328 8.844 1.00 0.00 C ATOM 0 H THR A 85 -6.646 1.938 9.153 1.00 0.00 H new ATOM 0 HA THR A 85 -4.629 2.067 7.083 1.00 0.00 H new ATOM 0 HB THR A 85 -4.470 1.099 9.967 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.583 3.239 10.319 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.050 1.503 9.724 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.630 0.272 8.576 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.296 1.927 8.013 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.576 -0.296 6.337 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.504 -1.675 5.871 1.00 0.00 C ATOM 1261 C ALA A 86 -3.125 -1.992 5.303 1.00 0.00 C ATOM 1262 O ALA A 86 -2.527 -1.172 4.607 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.580 -1.937 4.827 1.00 0.00 C ATOM 0 H ALA A 86 -4.289 0.398 5.647 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.675 -2.330 6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.514 -2.971 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.562 -1.761 5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.435 -1.267 3.979 1.00 0.00 H new ATOM 1269 N MET A 87 -2.626 -3.186 5.605 1.00 0.00 N ATOM 1270 CA MET A 87 -1.316 -3.610 5.123 1.00 0.00 C ATOM 1271 C MET A 87 -1.453 -4.520 3.907 1.00 0.00 C ATOM 1272 O MET A 87 -2.507 -5.115 3.679 1.00 0.00 O ATOM 1273 CB MET A 87 -0.551 -4.334 6.233 1.00 0.00 C ATOM 1274 CG MET A 87 0.769 -4.929 5.772 1.00 0.00 C ATOM 1275 SD MET A 87 1.823 -5.431 7.147 1.00 0.00 S ATOM 1276 CE MET A 87 2.694 -3.902 7.481 1.00 0.00 C ATOM 0 H MET A 87 -3.108 -3.877 6.180 1.00 0.00 H new ATOM 0 HA MET A 87 -0.759 -2.721 4.828 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.360 -3.635 7.047 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.178 -5.130 6.636 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.572 -5.792 5.137 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.299 -4.198 5.161 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.436 -4.069 8.261 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.192 -3.561 6.573 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.984 -3.144 7.812 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.381 -4.625 3.128 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.382 -5.463 1.935 1.00 0.00 C ATOM 1288 C VAL A 88 0.953 -6.179 1.765 1.00 0.00 C ATOM 1289 O VAL A 88 2.017 -5.566 1.865 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.673 -4.636 0.668 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -1.979 -3.871 0.818 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.479 -3.688 0.375 1.00 0.00 C ATOM 0 H VAL A 88 0.499 -4.140 3.302 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.173 -6.201 2.068 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.775 -5.319 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.168 -3.293 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.797 -4.574 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.910 -3.197 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.257 -3.112 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.615 -3.009 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.393 -4.262 0.221 1.00 0.00 H new ATOM 1302 N THR A 89 0.892 -7.482 1.509 1.00 0.00 N ATOM 1303 CA THR A 89 2.095 -8.283 1.326 1.00 0.00 C ATOM 1304 C THR A 89 2.030 -9.086 0.032 1.00 0.00 C ATOM 1305 O THR A 89 1.375 -10.126 -0.032 1.00 0.00 O ATOM 1306 CB THR A 89 2.312 -9.249 2.506 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.086 -9.915 2.825 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.823 -8.502 3.730 1.00 0.00 C ATOM 0 H THR A 89 0.021 -8.005 1.424 1.00 0.00 H new ATOM 0 HA THR A 89 2.933 -7.587 1.277 1.00 0.00 H new ATOM 0 HB THR A 89 3.059 -9.986 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.233 -10.529 3.575 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.969 -9.205 4.550 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.771 -8.020 3.492 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.095 -7.746 4.025 1.00 0.00 H new ATOM 1316 N ALA A 90 2.714 -8.598 -0.997 1.00 0.00 N ATOM 1317 CA ALA A 90 2.736 -9.272 -2.289 1.00 0.00 C ATOM 1318 C ALA A 90 4.166 -9.559 -2.735 1.00 0.00 C ATOM 1319 O ALA A 90 5.105 -8.882 -2.315 1.00 0.00 O ATOM 1320 CB ALA A 90 2.013 -8.435 -3.334 1.00 0.00 C ATOM 0 H ALA A 90 3.261 -7.738 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 90 2.219 -10.225 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.037 -8.951 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.977 -8.286 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.506 -7.467 -3.430 1.00 0.00 H new ATOM 1326 N ASP A 91 4.324 -10.565 -3.587 1.00 0.00 N ATOM 1327 CA ASP A 91 5.641 -10.941 -4.090 1.00 0.00 C ATOM 1328 C ASP A 91 6.262 -9.802 -4.892 1.00 0.00 C ATOM 1329 O ASP A 91 5.554 -9.005 -5.508 1.00 0.00 O ATOM 1330 CB ASP A 91 5.539 -12.196 -4.958 1.00 0.00 C ATOM 1331 CG ASP A 91 6.812 -12.467 -5.736 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.749 -13.052 -5.154 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.872 -12.092 -6.926 1.00 0.00 O ATOM 0 H ASP A 91 3.557 -11.135 -3.944 1.00 0.00 H new ATOM 0 HA ASP A 91 6.283 -11.151 -3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.314 -13.054 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.708 -12.086 -5.654 1.00 0.00 H new ATOM 1338 N SER A 92 7.589 -9.730 -4.878 1.00 0.00 N ATOM 1339 CA SER A 92 8.305 -8.685 -5.600 1.00 0.00 C ATOM 1340 C SER A 92 7.648 -8.408 -6.949 1.00 0.00 C ATOM 1341 O SER A 92 7.523 -7.257 -7.367 1.00 0.00 O ATOM 1342 CB SER A 92 9.767 -9.087 -5.804 1.00 0.00 C ATOM 1343 OG SER A 92 9.887 -10.078 -6.811 1.00 0.00 O ATOM 0 H SER A 92 8.190 -10.383 -4.375 1.00 0.00 H new ATOM 0 HA SER A 92 8.266 -7.774 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.353 -8.211 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.178 -9.464 -4.867 1.00 0.00 H new ATOM 0 HG SER A 92 10.163 -9.658 -7.652 1.00 0.00 H new ATOM 1349 N LYS A 93 7.231 -9.472 -7.625 1.00 0.00 N ATOM 1350 CA LYS A 93 6.585 -9.347 -8.927 1.00 0.00 C ATOM 1351 C LYS A 93 5.584 -8.196 -8.929 1.00 0.00 C ATOM 1352 O LYS A 93 5.577 -7.370 -9.842 1.00 0.00 O ATOM 1353 CB LYS A 93 5.877 -10.653 -9.295 1.00 0.00 C ATOM 1354 CG LYS A 93 4.750 -11.023 -8.347 1.00 0.00 C ATOM 1355 CD LYS A 93 4.408 -12.501 -8.436 1.00 0.00 C ATOM 1356 CE LYS A 93 4.114 -12.919 -9.868 1.00 0.00 C ATOM 1357 NZ LYS A 93 2.855 -12.309 -10.378 1.00 0.00 N ATOM 0 H LYS A 93 7.329 -10.432 -7.293 1.00 0.00 H new ATOM 0 HA LYS A 93 7.356 -9.137 -9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.477 -10.567 -10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.608 -11.461 -9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.037 -10.776 -7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.866 -10.430 -8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.237 -13.092 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.542 -12.714 -7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.945 -12.626 -10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.038 -14.005 -9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.302 -13.028 -10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.297 -11.945 -9.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.085 -11.528 -11.025 1.00 0.00 H new ATOM 1371 N TYR A 94 4.743 -8.147 -7.903 1.00 0.00 N ATOM 1372 CA TYR A 94 3.738 -7.097 -7.787 1.00 0.00 C ATOM 1373 C TYR A 94 4.338 -5.833 -7.179 1.00 0.00 C ATOM 1374 O TYR A 94 3.812 -4.734 -7.360 1.00 0.00 O ATOM 1375 CB TYR A 94 2.563 -7.579 -6.935 1.00 0.00 C ATOM 1376 CG TYR A 94 1.864 -8.795 -7.500 1.00 0.00 C ATOM 1377 CD1 TYR A 94 0.937 -8.673 -8.528 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.128 -10.066 -7.005 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.295 -9.781 -9.047 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.492 -11.179 -7.518 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.577 -11.032 -8.539 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.060 -12.138 -9.052 1.00 0.00 O ATOM 0 H TYR A 94 4.737 -8.823 -7.139 1.00 0.00 H new ATOM 0 HA TYR A 94 3.379 -6.861 -8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.923 -7.810 -5.932 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.841 -6.769 -6.835 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.714 -7.695 -8.928 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.843 -10.186 -6.205 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.423 -9.668 -9.846 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.710 -12.160 -7.122 1.00 0.00 H new ATOM 0 HH TYR A 94 0.252 -12.941 -8.585 1.00 0.00 H new ATOM 1392 N CYS A 95 5.441 -5.998 -6.458 1.00 0.00 N ATOM 1393 CA CYS A 95 6.114 -4.871 -5.821 1.00 0.00 C ATOM 1394 C CYS A 95 6.919 -4.072 -6.841 1.00 0.00 C ATOM 1395 O CYS A 95 6.555 -2.951 -7.194 1.00 0.00 O ATOM 1396 CB CYS A 95 7.031 -5.364 -4.702 1.00 0.00 C ATOM 1397 SG CYS A 95 6.266 -6.577 -3.600 1.00 0.00 S ATOM 0 H CYS A 95 5.889 -6.901 -6.300 1.00 0.00 H new ATOM 0 HA CYS A 95 5.352 -4.218 -5.395 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.924 -5.805 -5.146 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.358 -4.508 -4.111 1.00 0.00 H new ATOM 0 HG CYS A 95 7.121 -6.935 -2.688 1.00 0.00 H new ATOM 1403 N TYR A 96 8.016 -4.657 -7.309 1.00 0.00 N ATOM 1404 CA TYR A 96 8.876 -3.999 -8.285 1.00 0.00 C ATOM 1405 C TYR A 96 9.081 -4.880 -9.513 1.00 0.00 C ATOM 1406 O TYR A 96 9.187 -4.387 -10.635 1.00 0.00 O ATOM 1407 CB TYR A 96 10.229 -3.658 -7.656 1.00 0.00 C ATOM 1408 CG TYR A 96 10.160 -2.540 -6.641 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.660 -2.764 -5.364 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.595 -1.259 -6.958 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.595 -1.746 -4.433 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.535 -0.234 -6.033 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.033 -0.483 -4.772 1.00 0.00 C ATOM 1414 OH TYR A 96 9.971 0.534 -3.847 1.00 0.00 O ATOM 0 H TYR A 96 8.331 -5.586 -7.028 1.00 0.00 H new ATOM 0 HA TYR A 96 8.386 -3.077 -8.600 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.632 -4.550 -7.175 1.00 0.00 H new ATOM 0 HB3 TYR A 96 10.927 -3.378 -8.445 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.316 -3.752 -5.095 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.987 -1.061 -7.945 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.203 -1.938 -3.445 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.879 0.756 -6.295 1.00 0.00 H new ATOM 0 HH TYR A 96 9.235 1.140 -4.076 1.00 0.00 H new ATOM 1424 N GLY A 97 9.136 -6.190 -9.290 1.00 0.00 N ATOM 1425 CA GLY A 97 9.328 -7.121 -10.387 1.00 0.00 C ATOM 1426 C GLY A 97 10.474 -8.082 -10.138 1.00 0.00 C ATOM 1427 O GLY A 97 11.341 -7.843 -9.298 1.00 0.00 O ATOM 0 H GLY A 97 9.051 -6.623 -8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.410 -7.688 -10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.518 -6.563 -11.304 1.00 0.00 H new ATOM 1431 N PRO A 98 10.487 -9.199 -10.881 1.00 0.00 N ATOM 1432 CA PRO A 98 11.529 -10.222 -10.754 1.00 0.00 C ATOM 1433 C PRO A 98 12.879 -9.742 -11.276 1.00 0.00 C ATOM 1434 O PRO A 98 13.852 -10.496 -11.291 1.00 0.00 O ATOM 1435 CB PRO A 98 11.002 -11.374 -11.614 1.00 0.00 C ATOM 1436 CG PRO A 98 10.103 -10.724 -12.608 1.00 0.00 C ATOM 1437 CD PRO A 98 9.485 -9.549 -11.902 1.00 0.00 C ATOM 0 HA PRO A 98 11.707 -10.495 -9.714 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.817 -11.906 -12.105 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.463 -12.104 -11.010 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.661 -10.402 -13.487 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.337 -11.418 -12.954 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.302 -8.720 -12.586 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.527 -9.809 -11.452 1.00 0.00 H new ATOM 1445 N GLN A 99 12.930 -8.484 -11.703 1.00 0.00 N ATOM 1446 CA GLN A 99 14.162 -7.905 -12.226 1.00 0.00 C ATOM 1447 C GLN A 99 14.826 -7.007 -11.187 1.00 0.00 C ATOM 1448 O GLN A 99 16.037 -6.797 -11.217 1.00 0.00 O ATOM 1449 CB GLN A 99 13.874 -7.106 -13.498 1.00 0.00 C ATOM 1450 CG GLN A 99 13.035 -5.861 -13.258 1.00 0.00 C ATOM 1451 CD GLN A 99 12.697 -5.129 -14.542 1.00 0.00 C ATOM 1452 OE1 GLN A 99 13.580 -4.807 -15.338 1.00 0.00 O ATOM 1453 NE2 GLN A 99 11.413 -4.861 -14.751 1.00 0.00 N ATOM 0 H GLN A 99 12.133 -7.847 -11.697 1.00 0.00 H new ATOM 0 HA GLN A 99 14.845 -8.721 -12.464 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.819 -6.814 -13.956 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.359 -7.749 -14.212 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.112 -6.142 -12.750 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.573 -5.188 -12.591 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.714 -5.146 -14.065 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.126 -4.370 -15.598 1.00 0.00 H new ATOM 1462 N GLY A 100 14.023 -6.481 -10.267 1.00 0.00 N ATOM 1463 CA GLY A 100 14.550 -5.612 -9.231 1.00 0.00 C ATOM 1464 C GLY A 100 14.268 -4.147 -9.504 1.00 0.00 C ATOM 1465 O GLY A 100 13.658 -3.804 -10.517 1.00 0.00 O ATOM 0 H GLY A 100 13.017 -6.641 -10.221 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.114 -5.890 -8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.626 -5.762 -9.148 1.00 0.00 H new ATOM 1529 N TYR A 105 16.852 0.674 -4.849 1.00 0.00 N ATOM 1530 CA TYR A 105 17.041 -0.634 -5.465 1.00 0.00 C ATOM 1531 C TYR A 105 16.461 -1.739 -4.587 1.00 0.00 C ATOM 1532 O TYR A 105 16.415 -1.614 -3.363 1.00 0.00 O ATOM 1533 CB TYR A 105 18.528 -0.893 -5.714 1.00 0.00 C ATOM 1534 CG TYR A 105 18.835 -2.317 -6.121 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.778 -3.352 -5.195 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.182 -2.627 -7.430 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.058 -4.654 -5.562 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.462 -3.927 -7.806 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.399 -4.937 -6.868 1.00 0.00 C ATOM 1540 OH TYR A 105 19.679 -6.232 -7.238 1.00 0.00 O ATOM 0 HA TYR A 105 16.513 -0.638 -6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 105 18.880 -0.217 -6.493 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.086 -0.654 -4.809 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.510 -3.135 -4.172 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.234 -1.839 -8.166 1.00 0.00 H new ATOM 0 HE1 TYR A 105 19.010 -5.446 -4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 105 19.729 -4.151 -8.828 1.00 0.00 H new ATOM 0 HH TYR A 105 19.900 -6.259 -8.192 1.00 0.00 H new ATOM 1550 N ILE A 106 16.021 -2.820 -5.221 1.00 0.00 N ATOM 1551 CA ILE A 106 15.446 -3.948 -4.499 1.00 0.00 C ATOM 1552 C ILE A 106 15.715 -5.261 -5.225 1.00 0.00 C ATOM 1553 O ILE A 106 15.659 -5.343 -6.453 1.00 0.00 O ATOM 1554 CB ILE A 106 13.926 -3.781 -4.311 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.182 -4.241 -5.566 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.589 -2.332 -3.989 1.00 0.00 C ATOM 1557 CD1 ILE A 106 12.933 -5.732 -5.608 1.00 0.00 C ATOM 0 H ILE A 106 16.052 -2.939 -6.234 1.00 0.00 H new ATOM 0 HA ILE A 106 15.925 -3.972 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 106 13.607 -4.402 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.227 -3.719 -5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.757 -3.952 -6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.512 -2.229 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.095 -2.036 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.918 -1.691 -4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.402 -5.986 -6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.886 -6.261 -5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.332 -6.025 -4.747 1.00 0.00 H new ATOM 1569 N PRO A 107 16.013 -6.316 -4.451 1.00 0.00 N ATOM 1570 CA PRO A 107 16.295 -7.646 -4.999 1.00 0.00 C ATOM 1571 C PRO A 107 15.052 -8.305 -5.588 1.00 0.00 C ATOM 1572 O PRO A 107 13.934 -8.121 -5.106 1.00 0.00 O ATOM 1573 CB PRO A 107 16.792 -8.432 -3.784 1.00 0.00 C ATOM 1574 CG PRO A 107 16.180 -7.746 -2.612 1.00 0.00 C ATOM 1575 CD PRO A 107 16.097 -6.290 -2.981 1.00 0.00 C ATOM 0 HA PRO A 107 17.011 -7.606 -5.820 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.485 -9.477 -3.836 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.880 -8.422 -3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.191 -8.151 -2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.786 -7.888 -1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.224 -5.812 -2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.972 -5.738 -2.638 1.00 0.00 H new ATOM 1583 N PRO A 108 15.249 -9.093 -6.656 1.00 0.00 N ATOM 1584 CA PRO A 108 14.155 -9.796 -7.333 1.00 0.00 C ATOM 1585 C PRO A 108 13.579 -10.924 -6.484 1.00 0.00 C ATOM 1586 O PRO A 108 14.244 -11.441 -5.586 1.00 0.00 O ATOM 1587 CB PRO A 108 14.821 -10.360 -8.591 1.00 0.00 C ATOM 1588 CG PRO A 108 16.261 -10.488 -8.232 1.00 0.00 C ATOM 1589 CD PRO A 108 16.554 -9.358 -7.284 1.00 0.00 C ATOM 0 HA PRO A 108 13.312 -9.136 -7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.394 -11.325 -8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.683 -9.695 -9.444 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.462 -11.452 -7.764 1.00 0.00 H new ATOM 0 HG3 PRO A 108 16.891 -10.426 -9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.306 -9.637 -6.546 1.00 0.00 H new ATOM 0 HD3 PRO A 108 16.933 -8.481 -7.809 1.00 0.00 H new ATOM 1597 N HIS A 109 12.338 -11.302 -6.775 1.00 0.00 N ATOM 1598 CA HIS A 109 11.672 -12.371 -6.039 1.00 0.00 C ATOM 1599 C HIS A 109 11.815 -12.164 -4.534 1.00 0.00 C ATOM 1600 O HIS A 109 11.776 -13.120 -3.760 1.00 0.00 O ATOM 1601 CB HIS A 109 12.250 -13.730 -6.436 1.00 0.00 C ATOM 1602 CG HIS A 109 12.337 -13.933 -7.917 1.00 0.00 C ATOM 1603 ND1 HIS A 109 13.392 -14.239 -8.708 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 11.249 -13.825 -8.757 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.927 -14.310 -9.998 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.631 -14.057 -10.000 1.00 0.00 N flip ATOM 0 H HIS A 109 11.774 -10.884 -7.515 1.00 0.00 H new ATOM 0 HA HIS A 109 10.612 -12.348 -6.293 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.246 -13.833 -6.004 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.633 -14.518 -6.005 1.00 0.00 H new ATOM 0 HD1 HIS A 109 14.354 -14.389 -8.403 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.242 -13.588 -8.447 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.524 -14.536 -10.869 1.00 0.00 H new ATOM 1615 N ALA A 110 11.981 -10.910 -4.127 1.00 0.00 N ATOM 1616 CA ALA A 110 12.129 -10.578 -2.715 1.00 0.00 C ATOM 1617 C ALA A 110 10.903 -9.836 -2.194 1.00 0.00 C ATOM 1618 O ALA A 110 10.789 -8.621 -2.349 1.00 0.00 O ATOM 1619 CB ALA A 110 13.384 -9.746 -2.497 1.00 0.00 C ATOM 0 H ALA A 110 12.016 -10.107 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 110 12.222 -11.509 -2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.482 -9.505 -1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.257 -10.312 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.314 -8.824 -3.074 1.00 0.00 H new ATOM 1625 N ALA A 111 9.987 -10.576 -1.578 1.00 0.00 N ATOM 1626 CA ALA A 111 8.769 -9.987 -1.033 1.00 0.00 C ATOM 1627 C ALA A 111 9.079 -8.726 -0.234 1.00 0.00 C ATOM 1628 O ALA A 111 10.211 -8.521 0.208 1.00 0.00 O ATOM 1629 CB ALA A 111 8.037 -10.999 -0.164 1.00 0.00 C ATOM 0 H ALA A 111 10.065 -11.584 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 111 8.125 -9.708 -1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.130 -10.546 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.774 -11.870 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.683 -11.306 0.659 1.00 0.00 H new ATOM 1635 N LEU A 112 8.069 -7.884 -0.052 1.00 0.00 N ATOM 1636 CA LEU A 112 8.233 -6.641 0.694 1.00 0.00 C ATOM 1637 C LEU A 112 6.942 -6.261 1.411 1.00 0.00 C ATOM 1638 O LEU A 112 5.865 -6.265 0.814 1.00 0.00 O ATOM 1639 CB LEU A 112 8.660 -5.512 -0.245 1.00 0.00 C ATOM 1640 CG LEU A 112 9.851 -5.810 -1.157 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.800 -4.941 -2.403 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.160 -5.600 -0.410 1.00 0.00 C ATOM 0 H LEU A 112 7.127 -8.039 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 112 9.010 -6.796 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.808 -5.245 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.900 -4.636 0.358 1.00 0.00 H new ATOM 0 HG LEU A 112 9.796 -6.854 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.655 -5.167 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.878 -5.142 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.830 -3.890 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.997 -5.817 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.224 -4.566 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.198 -6.267 0.451 1.00 0.00 H new ATOM 1654 N CYS A 113 7.058 -5.932 2.693 1.00 0.00 N ATOM 1655 CA CYS A 113 5.899 -5.547 3.491 1.00 0.00 C ATOM 1656 C CYS A 113 5.570 -4.071 3.296 1.00 0.00 C ATOM 1657 O CYS A 113 6.373 -3.196 3.622 1.00 0.00 O ATOM 1658 CB CYS A 113 6.156 -5.833 4.972 1.00 0.00 C ATOM 1659 SG CYS A 113 4.667 -6.231 5.916 1.00 0.00 S ATOM 0 H CYS A 113 7.942 -5.924 3.202 1.00 0.00 H new ATOM 0 HA CYS A 113 5.046 -6.138 3.156 1.00 0.00 H new ATOM 0 HB2 CYS A 113 6.858 -6.663 5.054 1.00 0.00 H new ATOM 0 HB3 CYS A 113 6.636 -4.964 5.421 1.00 0.00 H new ATOM 0 HG CYS A 113 3.711 -5.415 5.583 1.00 0.00 H new ATOM 1665 N LEU A 114 4.385 -3.801 2.760 1.00 0.00 N ATOM 1666 CA LEU A 114 3.949 -2.429 2.519 1.00 0.00 C ATOM 1667 C LEU A 114 2.693 -2.108 3.323 1.00 0.00 C ATOM 1668 O LEU A 114 1.704 -2.839 3.266 1.00 0.00 O ATOM 1669 CB LEU A 114 3.683 -2.212 1.029 1.00 0.00 C ATOM 1670 CG LEU A 114 4.664 -2.885 0.067 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.155 -2.796 -1.363 1.00 0.00 C ATOM 1672 CD2 LEU A 114 6.044 -2.255 0.185 1.00 0.00 C ATOM 0 H LEU A 114 3.709 -4.513 2.484 1.00 0.00 H new ATOM 0 HA LEU A 114 4.746 -1.759 2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.679 -2.572 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.689 -1.140 0.832 1.00 0.00 H new ATOM 0 HG LEU A 114 4.744 -3.938 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.866 -3.280 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.189 -3.295 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.045 -1.749 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.729 -2.746 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.982 -1.194 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.412 -2.373 1.204 1.00 0.00 H new ATOM 1684 N GLU A 115 2.740 -1.009 4.070 1.00 0.00 N ATOM 1685 CA GLU A 115 1.604 -0.591 4.884 1.00 0.00 C ATOM 1686 C GLU A 115 0.884 0.593 4.246 1.00 0.00 C ATOM 1687 O GLU A 115 1.409 1.706 4.207 1.00 0.00 O ATOM 1688 CB GLU A 115 2.069 -0.220 6.294 1.00 0.00 C ATOM 1689 CG GLU A 115 0.933 -0.097 7.296 1.00 0.00 C ATOM 1690 CD GLU A 115 1.358 0.595 8.577 1.00 0.00 C ATOM 1691 OE1 GLU A 115 2.051 -0.045 9.395 1.00 0.00 O ATOM 1692 OE2 GLU A 115 0.997 1.776 8.761 1.00 0.00 O ATOM 0 H GLU A 115 3.551 -0.393 4.128 1.00 0.00 H new ATOM 0 HA GLU A 115 0.907 -1.427 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.773 -0.974 6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.610 0.726 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.112 0.458 6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.553 -1.091 7.533 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.322 0.345 3.745 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.116 1.390 3.109 1.00 0.00 C ATOM 1701 C VAL A 116 -2.063 2.045 4.107 1.00 0.00 C ATOM 1702 O VAL A 116 -2.668 1.371 4.942 1.00 0.00 O ATOM 1703 CB VAL A 116 -1.935 0.833 1.930 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.521 1.967 1.103 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.074 -0.077 1.066 1.00 0.00 C ATOM 0 H VAL A 116 -0.771 -0.571 3.767 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.415 2.136 2.735 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.760 0.243 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.096 1.554 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.173 2.575 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.714 2.586 0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.669 -0.462 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.228 0.487 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.708 -0.909 1.667 1.00 0.00 H new ATOM 1715 N THR A 117 -2.190 3.365 4.016 1.00 0.00 N ATOM 1716 CA THR A 117 -3.064 4.113 4.911 1.00 0.00 C ATOM 1717 C THR A 117 -3.803 5.216 4.163 1.00 0.00 C ATOM 1718 O THR A 117 -3.222 6.248 3.825 1.00 0.00 O ATOM 1719 CB THR A 117 -2.273 4.739 6.076 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.549 3.722 6.778 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.205 5.460 7.037 1.00 0.00 C ATOM 0 H THR A 117 -1.698 3.939 3.331 1.00 0.00 H new ATOM 0 HA THR A 117 -3.787 3.403 5.313 1.00 0.00 H new ATOM 0 HB THR A 117 -1.572 5.464 5.662 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.048 4.128 7.516 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.624 5.894 7.851 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.733 6.252 6.506 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.927 4.752 7.444 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.088 4.994 3.909 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.908 5.971 3.201 1.00 0.00 C ATOM 1731 C LEU A 118 -6.243 7.156 4.101 1.00 0.00 C ATOM 1732 O LEU A 118 -7.000 7.024 5.063 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.197 5.317 2.699 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.797 5.908 1.423 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.290 7.325 1.672 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.777 5.886 0.294 1.00 0.00 C ATOM 0 H LEU A 118 -5.585 4.146 4.183 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.337 6.337 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.001 4.259 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.944 5.379 3.490 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.649 5.296 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.714 7.730 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.054 7.313 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.456 7.949 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.221 6.310 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.905 6.474 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.473 4.858 0.098 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.676 8.314 3.782 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.916 9.524 4.559 1.00 0.00 C ATOM 1750 C LYS A 119 -7.059 10.337 3.960 1.00 0.00 C ATOM 1751 O LYS A 119 -8.081 10.563 4.610 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.646 10.377 4.618 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.366 9.561 4.637 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.339 8.593 5.808 1.00 0.00 C ATOM 1755 CE LYS A 119 -2.764 9.244 7.057 1.00 0.00 C ATOM 1756 NZ LYS A 119 -3.820 9.901 7.876 1.00 0.00 N ATOM 0 H LYS A 119 -5.046 8.440 2.990 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.195 9.227 5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.628 11.046 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.681 11.004 5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.273 9.006 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.508 10.230 4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.350 8.240 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.743 7.719 5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.255 8.490 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.015 9.982 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.559 10.893 8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.727 9.864 7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.913 9.405 8.785 1.00 0.00 H new ATOM 1770 N THR A 120 -6.882 10.773 2.717 1.00 0.00 N ATOM 1771 CA THR A 120 -7.899 11.560 2.031 1.00 0.00 C ATOM 1772 C THR A 120 -7.869 11.307 0.528 1.00 0.00 C ATOM 1773 O THR A 120 -6.819 11.010 -0.040 1.00 0.00 O ATOM 1774 CB THR A 120 -7.713 13.067 2.291 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.472 13.511 1.730 1.00 0.00 O ATOM 1776 CG2 THR A 120 -7.738 13.367 3.782 1.00 0.00 C ATOM 0 H THR A 120 -6.043 10.594 2.165 1.00 0.00 H new ATOM 0 HA THR A 120 -8.864 11.247 2.430 1.00 0.00 H new ATOM 0 HB THR A 120 -8.537 13.599 1.816 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.362 14.470 1.898 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.605 14.437 3.940 1.00 0.00 H new ATOM 0 HG22 THR A 120 -8.695 13.055 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.932 12.824 4.276 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.028 11.428 -0.111 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.134 11.215 -1.549 1.00 0.00 C ATOM 1786 C ALA A 121 -9.956 12.317 -2.208 1.00 0.00 C ATOM 1787 O ALA A 121 -11.153 12.451 -1.951 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.746 9.852 -1.837 1.00 0.00 C ATOM 0 H ALA A 121 -9.907 11.673 0.345 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.130 11.246 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.819 9.706 -2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.117 9.073 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.741 9.799 -1.395 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.307 13.105 -3.059 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.979 14.195 -3.756 1.00 0.00 C ATOM 1796 C VAL A 122 -9.565 14.248 -5.222 1.00 0.00 C ATOM 1797 O VAL A 122 -8.759 13.438 -5.680 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.673 15.554 -3.098 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -10.256 15.611 -1.694 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -8.173 15.808 -3.072 1.00 0.00 C ATOM 0 H VAL A 122 -8.316 13.009 -3.282 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.050 14.000 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 122 -10.141 16.339 -3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.030 16.578 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.337 15.478 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.820 14.818 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.975 16.772 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.680 15.020 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.787 15.814 -4.091 1.00 0.00 H new ATOM 1810 N ASP A 123 -10.121 15.208 -5.954 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.808 15.368 -7.369 1.00 0.00 C ATOM 1812 C ASP A 123 -8.651 16.344 -7.563 1.00 0.00 C ATOM 1813 O ASP A 123 -7.838 16.184 -8.474 1.00 0.00 O ATOM 1814 CB ASP A 123 -11.039 15.859 -8.132 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.912 15.656 -9.629 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -11.293 14.570 -10.115 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -10.429 16.581 -10.316 1.00 0.00 O ATOM 0 H ASP A 123 -10.790 15.887 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.509 14.396 -7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.921 15.331 -7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.193 16.918 -7.924 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.585 17.353 -6.702 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.529 18.356 -6.780 1.00 0.00 C ATOM 1824 C ARG A 124 -6.188 17.768 -6.350 1.00 0.00 C ATOM 1825 O ARG A 124 -6.111 16.920 -5.461 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.874 19.561 -5.903 1.00 0.00 C ATOM 1827 CG ARG A 124 -9.127 20.299 -6.347 1.00 0.00 C ATOM 1828 CD ARG A 124 -9.828 20.963 -5.173 1.00 0.00 C ATOM 1829 NE ARG A 124 -11.266 21.087 -5.393 1.00 0.00 N ATOM 1830 CZ ARG A 124 -11.824 22.094 -6.056 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -11.069 23.059 -6.561 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -13.141 22.136 -6.215 1.00 0.00 N ATOM 0 H ARG A 124 -9.250 17.498 -5.942 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.448 18.682 -7.817 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.006 19.225 -4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.033 20.255 -5.907 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.863 21.053 -7.088 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -9.809 19.601 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.649 20.382 -4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.400 21.952 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 124 -11.876 20.361 -5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.056 23.030 -6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.500 23.831 -7.070 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.725 21.395 -5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -13.569 22.909 -6.724 1.00 0.00 H new